data_4186 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4186 _Entry.Title ; NMR Solution Structure of Human Cellular Retinoic Acid Binding Protein-Type II ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-08-13 _Entry.Accession_date 1998-08-13 _Entry.Last_release_date 2000-03-08 _Entry.Original_release_date 2000-03-08 _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 L. Wang . . . 4186 2 Yue Li . . . 4186 3 Frits Abildgaard . . . 4186 4 John Markley . L. . 4186 5 Honggao Yan . . . 4186 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4186 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 331 4186 '15N chemical shifts' 118 4186 '1H chemical shifts' 820 4186 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 . . 2000-03-08 1998-08-13 original author . 4186 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4186 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 98409425 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Wang, L., Li, Y., Abildgaard, F., Markley, J.L., and Yan, H., "NMR Solution Structure of type II Human Cellular Retinoic Acid Binding Protein: Implications for Ligand Binding," Biochemistry 37, 12727-12736 (1998). ; _Citation.Title ; NMR Solution Structure of type II Human Cellular Retinoic Acid Binding Protein: Implications for Ligand Binding ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 37 _Citation.Journal_issue 37 _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 12727 _Citation.Page_last 12736 _Citation.Year 1998 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 L. Wang . . . 4186 1 2 Yue Li . . . 4186 1 3 Frits Abildgaard . . . 4186 1 4 John Markley . L. . 4186 1 5 Honggao Yan . . . 4186 1 stop_ save_ save_citation_one _Citation.Sf_category citations _Citation.Sf_framecode citation_one _Citation.Entry_ID 4186 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8589602 _Citation.Full_citation ; Wishart, D. S., Bigam, C. G., Yao, J., Abildgaard, F., Dyson, H. J., Oldfield, E., Markley, J. L., and Sykes, B. D. J. Biomol. NMR 6, 135-140 (1995). ; _Citation.Title '1H, 13C and 15N chemical shift referencing in biomolecular NMR.' _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 2 _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 135 _Citation.Page_last 140 _Citation.Year 1995 _Citation.Details ; A considerable degree of variability exists in the way that 1H, 13C and 15N chemical shifts are reported and referenced for biomolecules. In this article we explore some of the reasons for this situation and propose guidelines for future chemical shift referencing and for conversion from many common 1H, 13C and 15N chemical shift standards, now used in biomolecular NMR, to those proposed here. ; 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 'D S' Wishart D. S. . 4186 2 2 'C G' Bigam C. G. . 4186 2 3 J Yao J. . . 4186 2 4 F Abildgaard F. . . 4186 2 5 'H J' Dyson H. J. . 4186 2 6 E Oldfield E. . . 4186 2 7 'J L' Markley J. L. . 4186 2 8 'B D' Sykes B. D. . 4186 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_CRABPII _Assembly.Sf_category assembly _Assembly.Sf_framecode system_CRABPII _Assembly.Entry_ID 4186 _Assembly.ID 1 _Assembly.Name 'CRABPII system' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not reported' _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 4186 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 CRABPII 1 $CRABPII . . . native . . . . . 4186 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'CRABPII system' abbreviation 4186 1 'CRABPII system' system 4186 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Binding all-trans-retinoic acid' 4186 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CRABPII _Entity.Sf_category entity _Entity.Sf_framecode CRABPII _Entity.Entry_ID 4186 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Cellular Retinoic Acid Binding Protein-Type II' _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 ; PNFSGNWKIIRSENFEELLK VLGVNVMLRKIAVAAASKPA VEIKQEGDTFYIKTSTTVRT TEINFKVGEEFEEQTVDGRP CKSLVKWESENKMVCEQKLL KGEGPKTSWTRELTNDGELI LTMTADDVVCTRVYVRE ; _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 137 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1BLR . "Nmr Solution Structure Of Human Cellular Retinoic Acid Binding Protein-Type Ii, 22 Structures" . . . . . 100.00 137 100.00 100.00 2.17e-93 . . . . 4186 1 2 no PDB 1BM5 . "The Solution Structure Of A Site-Directed Mutant (R111m) Of Human Cellular Retionic Acid Binding Protein-Type Ii, Nmr, 31 Struc" . . . . . 100.00 137 99.27 99.27 1.97e-92 . . . . 4186 1 3 no PDB 1CBQ . "Crystal Structure Of Cellular Retinoic-Acid-Binding Proteins I And Ii In Complex With All-Trans-Retinoic Acid And A Synthetic R" . . . . . 100.00 137 100.00 100.00 2.17e-93 . . . . 4186 1 4 no PDB 1CBS . "Crystal Structure Of Cellular Retinoic-Acid-Binding Proteins I And Ii In Complex With All-Trans-Retinoic Acid And A Synthetic R" . . . . . 100.00 137 100.00 100.00 2.17e-93 . . . . 4186 1 5 no PDB 1XCA . "Apo-Cellular Retinoic Acid Binding Protein Ii" . . . . . 100.00 137 99.27 99.27 1.97e-92 . . . . 4186 1 6 no PDB 2CBS . "Cellular Retinoic Acid Binding Protein Ii In Complex With A Synthetic Retinoic Acid (Ro-13 6307)" . . . . . 100.00 137 100.00 100.00 2.17e-93 . . . . 4186 1 7 no PDB 2FR3 . "Crystal Structure Of Cellular Retinoic Acid Binding Protein Type Ii In Complex With All-Trans-Retinoic Acid At 1.48 Angstroms R" . . . . . 100.00 137 100.00 100.00 2.17e-93 . . . . 4186 1 8 no PDB 2FRS . "Crystal Structure Of The F15w Mutant Of Apo-Cellular Retinoic Acid Binding Protein Type Ii At 1.51 Angstroms Resolution" . . . . . 100.00 137 99.27 100.00 2.62e-92 . . . . 4186 1 9 no PDB 2FS6 . "Crystal Structure Of Apo-Cellular Retinoic Acid Binding Protein Type Ii At 1.35 Angstroms Resolution" . . . . . 100.00 137 100.00 100.00 2.17e-93 . . . . 4186 1 10 no PDB 2FS7 . "Crystal Structure Of Apo-Cellular Retinoic Acid Binding Protein Type Ii At 1.55 Angstroms Resolution" . . . . . 100.00 137 100.00 100.00 2.17e-93 . . . . 4186 1 11 no PDB 2G78 . "Crystal Structure Of The R132k:y134f Mutant Of Cellular Retinoic Acid Binding Protein Type Ii In Complex With All- Trans-Retino" . . . . . 100.00 137 98.54 100.00 3.64e-92 . . . . 4186 1 12 no PDB 2G79 . "Crystal Structure Of The R132k:y134f Mutant Of Cellular Retinoic Acid Binding Protein Type Ii In Complex With All- Trans-Retina" . . . . . 100.00 137 98.54 100.00 3.64e-92 . . . . 4186 1 13 no PDB 2G7B . "Crystal Structure Of The R132k:r111l:l121e Mutant Of Cellular Retinoic Acid Binding Protein Type Ii In Complex With All-trans-r" . . . . . 100.00 137 97.81 98.54 1.63e-90 . . . . 4186 1 14 no PDB 3CBS . "Cellular Retinoic Acid Binding Protein Ii In Complex With A Synthetic Retinoic Acid (Ro-12 7310)" . . . . . 100.00 137 100.00 100.00 2.17e-93 . . . . 4186 1 15 no PDB 3CR6 . "Crystal Structure Of The R132k:r111l:a32e Mutant Of Cellular Retinoic Acid Binding Protein Type Ii Complexed With C15-Aldehyde " . . . . . 100.00 137 97.81 98.54 1.02e-90 . . . . 4186 1 16 no PDB 3D96 . "Crystal Structure Of The R132k:y134f Mutant Of Apo-Cellular Retinoic Acid Binding Protein Type Ii At 1.71 Angstroms Resolution" . . . . . 100.00 137 98.54 100.00 3.64e-92 . . . . 4186 1 17 no PDB 3D97 . "Crystal Structure Of The R132k:r111l:l121e Mutant Of Apo- Cellular Retinoic Acid Binding Protein Type Ii At 1.50 Angstroms Reso" . . . . . 100.00 137 97.81 98.54 1.63e-90 . . . . 4186 1 18 no PDB 3F8A . "Crystal Structure Of The R132k:r111l:l121e:r59w Mutant Of Cellular Retinoic Acid-Binding Protein Type Ii Complexed With C15-Ald" . . . . . 100.00 137 97.08 97.81 5.18e-89 . . . . 4186 1 19 no PDB 3F9D . "Crystal Structure Of The R132k:r111l:t54e Mutant Of Cellular Retinoic Acid-Binding Protein Ii Complexed With C15- Aldehyde (A R" . . . . . 100.00 137 97.81 98.54 8.54e-91 . . . . 4186 1 20 no PDB 3FA7 . "Crystal Structure Of The Apo R132k:r111l:l121e:r59e Mutant Of Cellular Retinoic Acid-binding Protein Ii At 1.90 Angstrom Resolu" . . . . . 100.00 137 97.08 97.81 1.29e-89 . . . . 4186 1 21 no PDB 3FA8 . "Crystal Structure Of The Apo R132k:y134f:r111l:l121e Mutant Of Cellular Retinoic Acid-Binding Protein Ii At 1.78 Anstrom Resolu" . . . . . 100.00 137 97.08 98.54 7.67e-90 . . . . 4186 1 22 no PDB 3FA9 . "Crystal Structure Of The Apo R132k:y134f:r111l:l121d Mutant Of Cellular Retinoic Acid-binding Protein Ii At 1.94 Angstrom Resol" . . . . . 100.00 137 97.08 98.54 8.37e-90 . . . . 4186 1 23 no PDB 3FEL . "Crystal Structure Of The R132k:r111l:t54e Mutant Of Cellular Retinoic Acid-Binding Protein Ii At 1.85 Anstrom Resolution" . . . . . 100.00 137 97.81 98.54 8.54e-91 . . . . 4186 1 24 no PDB 3FEN . "Crystal Structure Of The R132k:r111l:a32e Mutant Of Cellular Retinoic Acid-Binding Protein Ii At 1.56 Anstrom Resolution" . . . . . 100.00 137 97.81 98.54 1.02e-90 . . . . 4186 1 25 no PDB 3FEP . "Crystal Sturcture Of The R132k:r111l:l121e:r59w-crabpii Mutant Complexed With A Synthetic Ligand (merocyanin) At 2.60 Anstrom R" . . . . . 100.00 137 97.08 97.81 5.18e-89 . . . . 4186 1 26 no PDB 3I17 . "Crystal Structure Of The Apo R132k:l121e Mutant Of Cellular Retinoic Acid-Binding Protein Ii At 1.68 Anstrom Resolution" . . . . . 100.00 137 98.54 99.27 1.26e-91 . . . . 4186 1 27 no PDB 4QGV . "Crystal Sturcture Of The R132k:r111l Mutant Of Cellular Retinoic Acid Binding Proteinii Complexed With A Synthetic Ligand (mero" . . . . . 100.00 137 98.54 99.27 9.61e-92 . . . . 4186 1 28 no PDB 4QGW . "Crystal Sturcture Of The R132k:r111l:l121d Mutant Of Cellular Retinoic Acid Binding Proteinii Complexed With A Synthetic Ligand" . . . . . 100.00 137 97.81 98.54 1.94e-90 . . . . 4186 1 29 no PDB 4QGX . "Crystal Sturcture Of The R132k:r111l:l121e Mutant Of Cellular Retinoic Acid Binding Proteinii Complexed With A Synthetic Ligand" . . . . . 100.00 137 97.81 98.54 1.63e-90 . . . . 4186 1 30 no DBJ BAG34945 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 138 100.00 100.00 2.08e-93 . . . . 4186 1 31 no DBJ BAJ83972 . "cellular retinoic acid binding protein 2 [Homo sapiens]" . . . . . 100.00 138 100.00 100.00 2.08e-93 . . . . 4186 1 32 no EMBL CAG29353 . "CRABP2 [Homo sapiens]" . . . . . 100.00 138 100.00 100.00 2.08e-93 . . . . 4186 1 33 no GB AAA52068 . "retinoic acid binding protein II [Homo sapiens]" . . . . . 100.00 138 100.00 100.00 2.08e-93 . . . . 4186 1 34 no GB AAA58430 . "retinoic acid-binding protein II [Homo sapiens]" . . . . . 100.00 138 100.00 100.00 2.08e-93 . . . . 4186 1 35 no GB AAH01109 . "Cellular retinoic acid binding protein 2 [Homo sapiens]" . . . . . 100.00 138 100.00 100.00 2.08e-93 . . . . 4186 1 36 no GB AAV38629 . "cellular retinoic acid binding protein 2 [synthetic construct]" . . . . . 100.00 139 100.00 100.00 1.91e-93 . . . . 4186 1 37 no GB AAV38630 . "cellular retinoic acid binding protein 2 [Homo sapiens]" . . . . . 100.00 138 100.00 100.00 2.08e-93 . . . . 4186 1 38 no REF NP_001008670 . "cellular retinoic acid-binding protein 2 [Bos taurus]" . . . . . 100.00 138 97.08 100.00 3.09e-92 . . . . 4186 1 39 no REF NP_001186652 . "cellular retinoic acid-binding protein 2 [Homo sapiens]" . . . . . 100.00 138 100.00 100.00 2.08e-93 . . . . 4186 1 40 no REF NP_001253818 . "cellular retinoic acid-binding protein 2 [Macaca mulatta]" . . . . . 100.00 138 99.27 100.00 6.40e-93 . . . . 4186 1 41 no REF NP_001869 . "cellular retinoic acid-binding protein 2 [Homo sapiens]" . . . . . 100.00 138 100.00 100.00 2.08e-93 . . . . 4186 1 42 no REF XP_001166367 . "PREDICTED: cellular retinoic acid-binding protein 2 [Pan troglodytes]" . . . . . 100.00 138 100.00 100.00 2.08e-93 . . . . 4186 1 43 no SP P29373 . "RecName: Full=Cellular retinoic acid-binding protein 2; AltName: Full=Cellular retinoic acid-binding protein II; Short=CRABP-II" . . . . . 100.00 138 100.00 100.00 2.08e-93 . . . . 4186 1 44 no SP Q5PXY7 . "RecName: Full=Cellular retinoic acid-binding protein 2; AltName: Full=Cellular retinoic acid-binding protein II; Short=CRABP-II" . . . . . 100.00 138 97.08 100.00 3.09e-92 . . . . 4186 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Cellular Retinoic Acid Binding Protein-Type II' common 4186 1 CRABPII abbreviation 4186 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 . PRO . 4186 1 2 . ASN . 4186 1 3 . PHE . 4186 1 4 . SER . 4186 1 5 . GLY . 4186 1 6 . ASN . 4186 1 7 . TRP . 4186 1 8 . LYS . 4186 1 9 . ILE . 4186 1 10 . ILE . 4186 1 11 . ARG . 4186 1 12 . SER . 4186 1 13 . GLU . 4186 1 14 . ASN . 4186 1 15 . PHE . 4186 1 16 . GLU . 4186 1 17 . GLU . 4186 1 18 . LEU . 4186 1 19 . LEU . 4186 1 20 . LYS . 4186 1 21 . VAL . 4186 1 22 . LEU . 4186 1 23 . GLY . 4186 1 24 . VAL . 4186 1 25 . ASN . 4186 1 26 . VAL . 4186 1 27 . MET . 4186 1 28 . LEU . 4186 1 29 . ARG . 4186 1 30 . LYS . 4186 1 31 . ILE . 4186 1 32 . ALA . 4186 1 33 . VAL . 4186 1 34 . ALA . 4186 1 35 . ALA . 4186 1 36 . ALA . 4186 1 37 . SER . 4186 1 38 . LYS . 4186 1 39 . PRO . 4186 1 40 . ALA . 4186 1 41 . VAL . 4186 1 42 . GLU . 4186 1 43 . ILE . 4186 1 44 . LYS . 4186 1 45 . GLN . 4186 1 46 . GLU . 4186 1 47 . GLY . 4186 1 48 . ASP . 4186 1 49 . THR . 4186 1 50 . PHE . 4186 1 51 . TYR . 4186 1 52 . ILE . 4186 1 53 . LYS . 4186 1 54 . THR . 4186 1 55 . SER . 4186 1 56 . THR . 4186 1 57 . THR . 4186 1 58 . VAL . 4186 1 59 . ARG . 4186 1 60 . THR . 4186 1 61 . THR . 4186 1 62 . GLU . 4186 1 63 . ILE . 4186 1 64 . ASN . 4186 1 65 . PHE . 4186 1 66 . LYS . 4186 1 67 . VAL . 4186 1 68 . GLY . 4186 1 69 . GLU . 4186 1 70 . GLU . 4186 1 71 . PHE . 4186 1 72 . GLU . 4186 1 73 . GLU . 4186 1 74 . GLN . 4186 1 75 . THR . 4186 1 76 . VAL . 4186 1 77 . ASP . 4186 1 78 . GLY . 4186 1 79 . ARG . 4186 1 80 . PRO . 4186 1 81 . CYS . 4186 1 82 . LYS . 4186 1 83 . SER . 4186 1 84 . LEU . 4186 1 85 . VAL . 4186 1 86 . LYS . 4186 1 87 . TRP . 4186 1 88 . GLU . 4186 1 89 . SER . 4186 1 90 . GLU . 4186 1 91 . ASN . 4186 1 92 . LYS . 4186 1 93 . MET . 4186 1 94 . VAL . 4186 1 95 . CYS . 4186 1 96 . GLU . 4186 1 97 . GLN . 4186 1 98 . LYS . 4186 1 99 . LEU . 4186 1 100 . LEU . 4186 1 101 . LYS . 4186 1 102 . GLY . 4186 1 103 . GLU . 4186 1 104 . GLY . 4186 1 105 . PRO . 4186 1 106 . LYS . 4186 1 107 . THR . 4186 1 108 . SER . 4186 1 109 . TRP . 4186 1 110 . THR . 4186 1 111 . ARG . 4186 1 112 . GLU . 4186 1 113 . LEU . 4186 1 114 . THR . 4186 1 115 . ASN . 4186 1 116 . ASP . 4186 1 117 . GLY . 4186 1 118 . GLU . 4186 1 119 . LEU . 4186 1 120 . ILE . 4186 1 121 . LEU . 4186 1 122 . THR . 4186 1 123 . MET . 4186 1 124 . THR . 4186 1 125 . ALA . 4186 1 126 . ASP . 4186 1 127 . ASP . 4186 1 128 . VAL . 4186 1 129 . VAL . 4186 1 130 . CYS . 4186 1 131 . THR . 4186 1 132 . ARG . 4186 1 133 . VAL . 4186 1 134 . TYR . 4186 1 135 . VAL . 4186 1 136 . ARG . 4186 1 137 . GLU . 4186 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 . PRO 1 1 4186 1 . ASN 2 2 4186 1 . PHE 3 3 4186 1 . SER 4 4 4186 1 . GLY 5 5 4186 1 . ASN 6 6 4186 1 . TRP 7 7 4186 1 . LYS 8 8 4186 1 . ILE 9 9 4186 1 . ILE 10 10 4186 1 . ARG 11 11 4186 1 . SER 12 12 4186 1 . GLU 13 13 4186 1 . ASN 14 14 4186 1 . PHE 15 15 4186 1 . GLU 16 16 4186 1 . GLU 17 17 4186 1 . LEU 18 18 4186 1 . LEU 19 19 4186 1 . LYS 20 20 4186 1 . VAL 21 21 4186 1 . LEU 22 22 4186 1 . GLY 23 23 4186 1 . VAL 24 24 4186 1 . ASN 25 25 4186 1 . VAL 26 26 4186 1 . MET 27 27 4186 1 . LEU 28 28 4186 1 . ARG 29 29 4186 1 . LYS 30 30 4186 1 . ILE 31 31 4186 1 . ALA 32 32 4186 1 . VAL 33 33 4186 1 . ALA 34 34 4186 1 . ALA 35 35 4186 1 . ALA 36 36 4186 1 . SER 37 37 4186 1 . LYS 38 38 4186 1 . PRO 39 39 4186 1 . ALA 40 40 4186 1 . VAL 41 41 4186 1 . GLU 42 42 4186 1 . ILE 43 43 4186 1 . LYS 44 44 4186 1 . GLN 45 45 4186 1 . GLU 46 46 4186 1 . GLY 47 47 4186 1 . ASP 48 48 4186 1 . THR 49 49 4186 1 . PHE 50 50 4186 1 . TYR 51 51 4186 1 . ILE 52 52 4186 1 . LYS 53 53 4186 1 . THR 54 54 4186 1 . SER 55 55 4186 1 . THR 56 56 4186 1 . THR 57 57 4186 1 . VAL 58 58 4186 1 . ARG 59 59 4186 1 . THR 60 60 4186 1 . THR 61 61 4186 1 . GLU 62 62 4186 1 . ILE 63 63 4186 1 . ASN 64 64 4186 1 . PHE 65 65 4186 1 . LYS 66 66 4186 1 . VAL 67 67 4186 1 . GLY 68 68 4186 1 . GLU 69 69 4186 1 . GLU 70 70 4186 1 . PHE 71 71 4186 1 . GLU 72 72 4186 1 . GLU 73 73 4186 1 . GLN 74 74 4186 1 . THR 75 75 4186 1 . VAL 76 76 4186 1 . ASP 77 77 4186 1 . GLY 78 78 4186 1 . ARG 79 79 4186 1 . PRO 80 80 4186 1 . CYS 81 81 4186 1 . LYS 82 82 4186 1 . SER 83 83 4186 1 . LEU 84 84 4186 1 . VAL 85 85 4186 1 . LYS 86 86 4186 1 . TRP 87 87 4186 1 . GLU 88 88 4186 1 . SER 89 89 4186 1 . GLU 90 90 4186 1 . ASN 91 91 4186 1 . LYS 92 92 4186 1 . MET 93 93 4186 1 . VAL 94 94 4186 1 . CYS 95 95 4186 1 . GLU 96 96 4186 1 . GLN 97 97 4186 1 . LYS 98 98 4186 1 . LEU 99 99 4186 1 . LEU 100 100 4186 1 . LYS 101 101 4186 1 . GLY 102 102 4186 1 . GLU 103 103 4186 1 . GLY 104 104 4186 1 . PRO 105 105 4186 1 . LYS 106 106 4186 1 . THR 107 107 4186 1 . SER 108 108 4186 1 . TRP 109 109 4186 1 . THR 110 110 4186 1 . ARG 111 111 4186 1 . GLU 112 112 4186 1 . LEU 113 113 4186 1 . THR 114 114 4186 1 . ASN 115 115 4186 1 . ASP 116 116 4186 1 . GLY 117 117 4186 1 . GLU 118 118 4186 1 . LEU 119 119 4186 1 . ILE 120 120 4186 1 . LEU 121 121 4186 1 . THR 122 122 4186 1 . MET 123 123 4186 1 . THR 124 124 4186 1 . ALA 125 125 4186 1 . ASP 126 126 4186 1 . ASP 127 127 4186 1 . VAL 128 128 4186 1 . VAL 129 129 4186 1 . CYS 130 130 4186 1 . THR 131 131 4186 1 . ARG 132 132 4186 1 . VAL 133 133 4186 1 . TYR 134 134 4186 1 . VAL 135 135 4186 1 . ARG 136 136 4186 1 . GLU 137 137 4186 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 4186 _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 $CRABPII . 9606 . . 'Homo sapiens' human . . Eucaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4186 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 4186 _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 $CRABPII . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . pET-17b . . . . . . 4186 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4186 _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 'Cellular Retinoic Acid Binding Protein-Type II' . . . 1 $CRABPII . . . 1.5 2.0 mM . . . . 4186 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4186 _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 7.3 0.1 n/a 4186 1 temperature 298 0.5 K 4186 1 stop_ save_ ############################ # Computer software used # ############################ save_software_one _Software.Sf_category software _Software.Sf_framecode software_one _Software.Entry_ID 4186 _Software.ID 1 _Software.Name FELIX _Software.Version 95 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data processing and peak picking' 4186 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4186 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_two _NMR_spectrometer.Entry_ID 4186 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4186 _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_one VARIAN UNITY . 500 . . . 4186 1 2 NMR_spectrometer_two BRUKER DMX . 500 . . . 4186 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 4186 _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 NOESY . . . . . . . . . . . 1 $sample_one . . . . . . . . . . . . . . . . . . . . . . . . . . 4186 1 2 TOCSY . . . . . . . . . . . 1 $sample_one . . . . . . . . . . . . . . . . . . . . . . . . . . 4186 1 3 'triple resonance experiments' . . . . . . . . . . . 1 $sample_one . . . . . . . . . . . . . . . . . . . . . . . . . . 4186 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4186 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 2 $citation_one . . . . 4186 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 . direct . . . . 2 $citation_one . . . . 4186 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 2 $citation_one . . . . 4186 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4186 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4186 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 1 1 PRO HA H 1 4.32 . . 1 . . . . . . . . 4186 1 2 . 1 1 1 1 PRO HB2 H 1 2.37 . . 2 . . . . . . . . 4186 1 3 . 1 1 1 1 PRO HB3 H 1 1.91 . . 2 . . . . . . . . 4186 1 4 . 1 1 1 1 PRO HG2 H 1 2.10 . . 2 . . . . . . . . 4186 1 5 . 1 1 1 1 PRO HG3 H 1 2.08 . . 2 . . . . . . . . 4186 1 6 . 1 1 1 1 PRO HD2 H 1 3.32 . . 2 . . . . . . . . 4186 1 7 . 1 1 1 1 PRO HD3 H 1 3.25 . . 2 . . . . . . . . 4186 1 8 . 1 1 1 1 PRO CA C 13 63.0 . . 1 . . . . . . . . 4186 1 9 . 1 1 1 1 PRO CB C 13 33.2 . . 1 . . . . . . . . 4186 1 10 . 1 1 2 2 ASN HA H 1 5.03 . . 1 . . . . . . . . 4186 1 11 . 1 1 2 2 ASN HB2 H 1 2.95 . . 2 . . . . . . . . 4186 1 12 . 1 1 2 2 ASN HB3 H 1 2.89 . . 2 . . . . . . . . 4186 1 13 . 1 1 2 2 ASN C C 13 171.9 . . 1 . . . . . . . . 4186 1 14 . 1 1 2 2 ASN CA C 13 52.7 . . 1 . . . . . . . . 4186 1 15 . 1 1 2 2 ASN CB C 13 39.3 . . 1 . . . . . . . . 4186 1 16 . 1 1 3 3 PHE H H 1 9.82 . . 1 . . . . . . . . 4186 1 17 . 1 1 3 3 PHE HA H 1 4.32 . . 1 . . . . . . . . 4186 1 18 . 1 1 3 3 PHE HB2 H 1 3.28 . . 2 . . . . . . . . 4186 1 19 . 1 1 3 3 PHE HB3 H 1 2.70 . . 2 . . . . . . . . 4186 1 20 . 1 1 3 3 PHE C C 13 173.5 . . 1 . . . . . . . . 4186 1 21 . 1 1 3 3 PHE CA C 13 60.4 . . 1 . . . . . . . . 4186 1 22 . 1 1 3 3 PHE CB C 13 32.3 . . 1 . . . . . . . . 4186 1 23 . 1 1 3 3 PHE N N 15 121.9 . . 1 . . . . . . . . 4186 1 24 . 1 1 4 4 SER H H 1 8.49 . . 1 . . . . . . . . 4186 1 25 . 1 1 4 4 SER HA H 1 4.30 . . 1 . . . . . . . . 4186 1 26 . 1 1 4 4 SER HB2 H 1 3.99 . . 1 . . . . . . . . 4186 1 27 . 1 1 4 4 SER HB3 H 1 3.99 . . 1 . . . . . . . . 4186 1 28 . 1 1 4 4 SER C C 13 171.8 . . 1 . . . . . . . . 4186 1 29 . 1 1 4 4 SER CA C 13 60.7 . . 1 . . . . . . . . 4186 1 30 . 1 1 4 4 SER CB C 13 64.5 . . 1 . . . . . . . . 4186 1 31 . 1 1 4 4 SER N N 15 112.5 . . 1 . . . . . . . . 4186 1 32 . 1 1 5 5 GLY H H 1 9.22 . . 1 . . . . . . . . 4186 1 33 . 1 1 5 5 GLY HA2 H 1 3.96 . . 2 . . . . . . . . 4186 1 34 . 1 1 5 5 GLY HA3 H 1 3.76 . . 2 . . . . . . . . 4186 1 35 . 1 1 5 5 GLY C C 13 167.9 . . 1 . . . . . . . . 4186 1 36 . 1 1 5 5 GLY CA C 13 44.9 . . 1 . . . . . . . . 4186 1 37 . 1 1 5 5 GLY N N 15 110.6 . . 1 . . . . . . . . 4186 1 38 . 1 1 6 6 ASN H H 1 8.15 . . 1 . . . . . . . . 4186 1 39 . 1 1 6 6 ASN HA H 1 5.52 . . 1 . . . . . . . . 4186 1 40 . 1 1 6 6 ASN HB2 H 1 2.69 . . 2 . . . . . . . . 4186 1 41 . 1 1 6 6 ASN HB3 H 1 2.52 . . 2 . . . . . . . . 4186 1 42 . 1 1 6 6 ASN C C 13 171.5 . . 1 . . . . . . . . 4186 1 43 . 1 1 6 6 ASN CA C 13 53.0 . . 1 . . . . . . . . 4186 1 44 . 1 1 6 6 ASN CB C 13 40.2 . . 1 . . . . . . . . 4186 1 45 . 1 1 6 6 ASN N N 15 118.6 . . 1 . . . . . . . . 4186 1 46 . 1 1 7 7 TRP H H 1 9.35 . . 1 . . . . . . . . 4186 1 47 . 1 1 7 7 TRP HA H 1 5.14 . . 1 . . . . . . . . 4186 1 48 . 1 1 7 7 TRP HB2 H 1 3.06 . . 2 . . . . . . . . 4186 1 49 . 1 1 7 7 TRP HB3 H 1 2.66 . . 2 . . . . . . . . 4186 1 50 . 1 1 7 7 TRP C C 13 172.5 . . 1 . . . . . . . . 4186 1 51 . 1 1 7 7 TRP CA C 13 56.7 . . 1 . . . . . . . . 4186 1 52 . 1 1 7 7 TRP CB C 13 32.2 . . 1 . . . . . . . . 4186 1 53 . 1 1 7 7 TRP N N 15 123.3 . . 1 . . . . . . . . 4186 1 54 . 1 1 8 8 LYS H H 1 10.17 . . 1 . . . . . . . . 4186 1 55 . 1 1 8 8 LYS HA H 1 5.28 . . 1 . . . . . . . . 4186 1 56 . 1 1 8 8 LYS HB2 H 1 1.90 . . 2 . . . . . . . . 4186 1 57 . 1 1 8 8 LYS HB3 H 1 1.85 . . 2 . . . . . . . . 4186 1 58 . 1 1 8 8 LYS HG2 H 1 1.63 . . 2 . . . . . . . . 4186 1 59 . 1 1 8 8 LYS HG3 H 1 1.52 . . 2 . . . . . . . . 4186 1 60 . 1 1 8 8 LYS HD2 H 1 1.37 . . 2 . . . . . . . . 4186 1 61 . 1 1 8 8 LYS HD3 H 1 1.33 . . 2 . . . . . . . . 4186 1 62 . 1 1 8 8 LYS HE2 H 1 2.85 . . 1 . . . . . . . . 4186 1 63 . 1 1 8 8 LYS HE3 H 1 2.85 . . 1 . . . . . . . . 4186 1 64 . 1 1 8 8 LYS C C 13 172.4 . . 1 . . . . . . . . 4186 1 65 . 1 1 8 8 LYS CA C 13 54.1 . . 1 . . . . . . . . 4186 1 66 . 1 1 8 8 LYS CB C 13 36.1 . . 1 . . . . . . . . 4186 1 67 . 1 1 8 8 LYS N N 15 123.2 . . 1 . . . . . . . . 4186 1 68 . 1 1 9 9 ILE H H 1 9.05 . . 1 . . . . . . . . 4186 1 69 . 1 1 9 9 ILE HA H 1 3.92 . . 1 . . . . . . . . 4186 1 70 . 1 1 9 9 ILE HB H 1 1.76 . . 1 . . . . . . . . 4186 1 71 . 1 1 9 9 ILE HG12 H 1 1.65 . . 2 . . . . . . . . 4186 1 72 . 1 1 9 9 ILE HG13 H 1 1.56 . . 2 . . . . . . . . 4186 1 73 . 1 1 9 9 ILE HG21 H 1 1.39 . . 1 . . . . . . . . 4186 1 74 . 1 1 9 9 ILE HG22 H 1 1.39 . . 1 . . . . . . . . 4186 1 75 . 1 1 9 9 ILE HG23 H 1 1.39 . . 1 . . . . . . . . 4186 1 76 . 1 1 9 9 ILE HD11 H 1 0.48 . . 1 . . . . . . . . 4186 1 77 . 1 1 9 9 ILE HD12 H 1 0.48 . . 1 . . . . . . . . 4186 1 78 . 1 1 9 9 ILE HD13 H 1 0.48 . . 1 . . . . . . . . 4186 1 79 . 1 1 9 9 ILE C C 13 173.3 . . 1 . . . . . . . . 4186 1 80 . 1 1 9 9 ILE CA C 13 55.5 . . 1 . . . . . . . . 4186 1 81 . 1 1 9 9 ILE CB C 13 33.6 . . 1 . . . . . . . . 4186 1 82 . 1 1 9 9 ILE N N 15 125.6 . . 1 . . . . . . . . 4186 1 83 . 1 1 10 10 ILE H H 1 9.24 . . 1 . . . . . . . . 4186 1 84 . 1 1 10 10 ILE HA H 1 4.61 . . 1 . . . . . . . . 4186 1 85 . 1 1 10 10 ILE HB H 1 1.83 . . 1 . . . . . . . . 4186 1 86 . 1 1 10 10 ILE HG21 H 1 0.87 . . 1 . . . . . . . . 4186 1 87 . 1 1 10 10 ILE HG22 H 1 0.87 . . 1 . . . . . . . . 4186 1 88 . 1 1 10 10 ILE HG23 H 1 0.87 . . 1 . . . . . . . . 4186 1 89 . 1 1 10 10 ILE C C 13 173.3 . . 1 . . . . . . . . 4186 1 90 . 1 1 10 10 ILE CA C 13 61.3 . . 1 . . . . . . . . 4186 1 91 . 1 1 10 10 ILE CB C 13 41.8 . . 1 . . . . . . . . 4186 1 92 . 1 1 10 10 ILE N N 15 118.8 . . 1 . . . . . . . . 4186 1 93 . 1 1 12 12 SER H H 1 8.33 . . 1 . . . . . . . . 4186 1 94 . 1 1 12 12 SER HA H 1 5.12 . . 1 . . . . . . . . 4186 1 95 . 1 1 12 12 SER HB2 H 1 3.61 . . 2 . . . . . . . . 4186 1 96 . 1 1 12 12 SER HB3 H 1 3.43 . . 2 . . . . . . . . 4186 1 97 . 1 1 12 12 SER C C 13 171.0 . . 1 . . . . . . . . 4186 1 98 . 1 1 12 12 SER CA C 13 62.8 . . 1 . . . . . . . . 4186 1 99 . 1 1 12 12 SER N N 15 115.8 . . 1 . . . . . . . . 4186 1 100 . 1 1 13 13 GLU H H 1 8.71 . . 1 . . . . . . . . 4186 1 101 . 1 1 13 13 GLU HA H 1 4.80 . . 1 . . . . . . . . 4186 1 102 . 1 1 13 13 GLU HB2 H 1 2.19 . . 2 . . . . . . . . 4186 1 103 . 1 1 13 13 GLU HB3 H 1 2.08 . . 2 . . . . . . . . 4186 1 104 . 1 1 13 13 GLU HG2 H 1 1.93 . . 1 . . . . . . . . 4186 1 105 . 1 1 13 13 GLU HG3 H 1 1.93 . . 1 . . . . . . . . 4186 1 106 . 1 1 13 13 GLU CA C 13 61.7 . . 1 . . . . . . . . 4186 1 107 . 1 1 13 13 GLU CB C 13 40.1 . . 1 . . . . . . . . 4186 1 108 . 1 1 13 13 GLU N N 15 124.0 . . 1 . . . . . . . . 4186 1 109 . 1 1 14 14 ASN H H 1 9.25 . . 1 . . . . . . . . 4186 1 110 . 1 1 14 14 ASN HA H 1 4.95 . . 1 . . . . . . . . 4186 1 111 . 1 1 14 14 ASN HB2 H 1 3.31 . . 2 . . . . . . . . 4186 1 112 . 1 1 14 14 ASN HB3 H 1 3.22 . . 2 . . . . . . . . 4186 1 113 . 1 1 14 14 ASN CA C 13 55.7 . . 1 . . . . . . . . 4186 1 114 . 1 1 14 14 ASN CB C 13 41.4 . . 1 . . . . . . . . 4186 1 115 . 1 1 14 14 ASN N N 15 117.8 . . 1 . . . . . . . . 4186 1 116 . 1 1 15 15 PHE H H 1 8.72 . . 1 . . . . . . . . 4186 1 117 . 1 1 15 15 PHE HA H 1 4.59 . . 1 . . . . . . . . 4186 1 118 . 1 1 15 15 PHE HB2 H 1 2.98 . . 2 . . . . . . . . 4186 1 119 . 1 1 15 15 PHE HB3 H 1 2.85 . . 2 . . . . . . . . 4186 1 120 . 1 1 15 15 PHE CA C 13 55.3 . . 1 . . . . . . . . 4186 1 121 . 1 1 15 15 PHE CB C 13 33.7 . . 1 . . . . . . . . 4186 1 122 . 1 1 15 15 PHE N N 15 119.3 . . 1 . . . . . . . . 4186 1 123 . 1 1 16 16 GLU H H 1 8.36 . . 1 . . . . . . . . 4186 1 124 . 1 1 16 16 GLU HA H 1 3.30 . . 1 . . . . . . . . 4186 1 125 . 1 1 16 16 GLU HB2 H 1 1.96 . . 1 . . . . . . . . 4186 1 126 . 1 1 16 16 GLU HB3 H 1 1.96 . . 1 . . . . . . . . 4186 1 127 . 1 1 16 16 GLU HG2 H 1 2.16 . . 1 . . . . . . . . 4186 1 128 . 1 1 16 16 GLU HG3 H 1 2.16 . . 1 . . . . . . . . 4186 1 129 . 1 1 16 16 GLU C C 13 172.1 . . 1 . . . . . . . . 4186 1 130 . 1 1 16 16 GLU CA C 13 63.2 . . 1 . . . . . . . . 4186 1 131 . 1 1 16 16 GLU CB C 13 32.6 . . 1 . . . . . . . . 4186 1 132 . 1 1 16 16 GLU N N 15 117.4 . . 1 . . . . . . . . 4186 1 133 . 1 1 17 17 GLU H H 1 8.36 . . 1 . . . . . . . . 4186 1 134 . 1 1 17 17 GLU HA H 1 3.68 . . 1 . . . . . . . . 4186 1 135 . 1 1 17 17 GLU HB2 H 1 1.84 . . 2 . . . . . . . . 4186 1 136 . 1 1 17 17 GLU HB3 H 1 1.73 . . 2 . . . . . . . . 4186 1 137 . 1 1 17 17 GLU HG2 H 1 2.38 . . 2 . . . . . . . . 4186 1 138 . 1 1 17 17 GLU HG3 H 1 2.19 . . 2 . . . . . . . . 4186 1 139 . 1 1 17 17 GLU C C 13 175.9 . . 1 . . . . . . . . 4186 1 140 . 1 1 17 17 GLU CA C 13 59.6 . . 1 . . . . . . . . 4186 1 141 . 1 1 17 17 GLU CB C 13 28.1 . . 1 . . . . . . . . 4186 1 142 . 1 1 17 17 GLU N N 15 118.5 . . 1 . . . . . . . . 4186 1 143 . 1 1 18 18 LEU H H 1 7.59 . . 1 . . . . . . . . 4186 1 144 . 1 1 18 18 LEU HA H 1 3.73 . . 1 . . . . . . . . 4186 1 145 . 1 1 18 18 LEU HB2 H 1 2.17 . . 2 . . . . . . . . 4186 1 146 . 1 1 18 18 LEU HB3 H 1 1.34 . . 2 . . . . . . . . 4186 1 147 . 1 1 18 18 LEU HG H 1 0.81 . . 1 . . . . . . . . 4186 1 148 . 1 1 18 18 LEU HD11 H 1 0.74 . . 2 . . . . . . . . 4186 1 149 . 1 1 18 18 LEU HD12 H 1 0.74 . . 2 . . . . . . . . 4186 1 150 . 1 1 18 18 LEU HD13 H 1 0.74 . . 2 . . . . . . . . 4186 1 151 . 1 1 18 18 LEU HD21 H 1 0.70 . . 2 . . . . . . . . 4186 1 152 . 1 1 18 18 LEU HD22 H 1 0.70 . . 2 . . . . . . . . 4186 1 153 . 1 1 18 18 LEU HD23 H 1 0.70 . . 2 . . . . . . . . 4186 1 154 . 1 1 18 18 LEU C C 13 174.9 . . 1 . . . . . . . . 4186 1 155 . 1 1 18 18 LEU CA C 13 58.5 . . 1 . . . . . . . . 4186 1 156 . 1 1 18 18 LEU CB C 13 42.4 . . 1 . . . . . . . . 4186 1 157 . 1 1 18 18 LEU N N 15 121.4 . . 1 . . . . . . . . 4186 1 158 . 1 1 19 19 LEU H H 1 7.36 . . 1 . . . . . . . . 4186 1 159 . 1 1 19 19 LEU HA H 1 3.62 . . 1 . . . . . . . . 4186 1 160 . 1 1 19 19 LEU HB2 H 1 1.62 . . 2 . . . . . . . . 4186 1 161 . 1 1 19 19 LEU HB3 H 1 1.56 . . 2 . . . . . . . . 4186 1 162 . 1 1 19 19 LEU HG H 1 1.12 . . 1 . . . . . . . . 4186 1 163 . 1 1 19 19 LEU HD11 H 1 0.36 . . 2 . . . . . . . . 4186 1 164 . 1 1 19 19 LEU HD12 H 1 0.36 . . 2 . . . . . . . . 4186 1 165 . 1 1 19 19 LEU HD13 H 1 0.36 . . 2 . . . . . . . . 4186 1 166 . 1 1 19 19 LEU HD21 H 1 0.32 . . 2 . . . . . . . . 4186 1 167 . 1 1 19 19 LEU HD22 H 1 0.32 . . 2 . . . . . . . . 4186 1 168 . 1 1 19 19 LEU HD23 H 1 0.32 . . 2 . . . . . . . . 4186 1 169 . 1 1 19 19 LEU C C 13 176.0 . . 1 . . . . . . . . 4186 1 170 . 1 1 19 19 LEU CA C 13 57.6 . . 1 . . . . . . . . 4186 1 171 . 1 1 19 19 LEU CB C 13 41.1 . . 1 . . . . . . . . 4186 1 172 . 1 1 19 19 LEU N N 15 114.5 . . 1 . . . . . . . . 4186 1 173 . 1 1 20 20 LYS H H 1 8.18 . . 1 . . . . . . . . 4186 1 174 . 1 1 20 20 LYS HA H 1 3.83 . . 1 . . . . . . . . 4186 1 175 . 1 1 20 20 LYS HB2 H 1 1.93 . . 2 . . . . . . . . 4186 1 176 . 1 1 20 20 LYS HB3 H 1 1.61 . . 2 . . . . . . . . 4186 1 177 . 1 1 20 20 LYS HG2 H 1 1.35 . . 2 . . . . . . . . 4186 1 178 . 1 1 20 20 LYS HG3 H 1 1.14 . . 2 . . . . . . . . 4186 1 179 . 1 1 20 20 LYS HE2 H 1 2.91 . . 1 . . . . . . . . 4186 1 180 . 1 1 20 20 LYS HE3 H 1 2.91 . . 1 . . . . . . . . 4186 1 181 . 1 1 20 20 LYS C C 13 178.3 . . 1 . . . . . . . . 4186 1 182 . 1 1 20 20 LYS CA C 13 60.5 . . 1 . . . . . . . . 4186 1 183 . 1 1 20 20 LYS CB C 13 32.6 . . 1 . . . . . . . . 4186 1 184 . 1 1 20 20 LYS N N 15 118.9 . . 1 . . . . . . . . 4186 1 185 . 1 1 21 21 VAL H H 1 7.83 . . 1 . . . . . . . . 4186 1 186 . 1 1 21 21 VAL HA H 1 3.78 . . 1 . . . . . . . . 4186 1 187 . 1 1 21 21 VAL HB H 1 2.15 . . 1 . . . . . . . . 4186 1 188 . 1 1 21 21 VAL HG11 H 1 1.10 . . 2 . . . . . . . . 4186 1 189 . 1 1 21 21 VAL HG12 H 1 1.10 . . 2 . . . . . . . . 4186 1 190 . 1 1 21 21 VAL HG13 H 1 1.10 . . 2 . . . . . . . . 4186 1 191 . 1 1 21 21 VAL HG21 H 1 0.95 . . 2 . . . . . . . . 4186 1 192 . 1 1 21 21 VAL HG22 H 1 0.95 . . 2 . . . . . . . . 4186 1 193 . 1 1 21 21 VAL HG23 H 1 0.95 . . 2 . . . . . . . . 4186 1 194 . 1 1 21 21 VAL C C 13 174.9 . . 1 . . . . . . . . 4186 1 195 . 1 1 21 21 VAL CA C 13 66.0 . . 1 . . . . . . . . 4186 1 196 . 1 1 21 21 VAL CB C 13 31.7 . . 1 . . . . . . . . 4186 1 197 . 1 1 21 21 VAL N N 15 121.3 . . 1 . . . . . . . . 4186 1 198 . 1 1 22 22 LEU H H 1 7.24 . . 1 . . . . . . . . 4186 1 199 . 1 1 22 22 LEU HA H 1 3.91 . . 1 . . . . . . . . 4186 1 200 . 1 1 22 22 LEU HB2 H 1 1.39 . . 1 . . . . . . . . 4186 1 201 . 1 1 22 22 LEU HB3 H 1 1.39 . . 1 . . . . . . . . 4186 1 202 . 1 1 22 22 LEU HD11 H 1 0.49 . . 1 . . . . . . . . 4186 1 203 . 1 1 22 22 LEU HD12 H 1 0.49 . . 1 . . . . . . . . 4186 1 204 . 1 1 22 22 LEU HD13 H 1 0.49 . . 1 . . . . . . . . 4186 1 205 . 1 1 22 22 LEU HD21 H 1 0.49 . . 1 . . . . . . . . 4186 1 206 . 1 1 22 22 LEU HD22 H 1 0.49 . . 1 . . . . . . . . 4186 1 207 . 1 1 22 22 LEU HD23 H 1 0.49 . . 1 . . . . . . . . 4186 1 208 . 1 1 22 22 LEU C C 13 173.6 . . 1 . . . . . . . . 4186 1 209 . 1 1 22 22 LEU CA C 13 55.4 . . 1 . . . . . . . . 4186 1 210 . 1 1 22 22 LEU CB C 13 41.5 . . 1 . . . . . . . . 4186 1 211 . 1 1 22 22 LEU N N 15 117.5 . . 1 . . . . . . . . 4186 1 212 . 1 1 23 23 GLY H H 1 7.69 . . 1 . . . . . . . . 4186 1 213 . 1 1 23 23 GLY HA2 H 1 3.96 . . 2 . . . . . . . . 4186 1 214 . 1 1 23 23 GLY HA3 H 1 3.58 . . 2 . . . . . . . . 4186 1 215 . 1 1 23 23 GLY C C 13 172.0 . . 1 . . . . . . . . 4186 1 216 . 1 1 23 23 GLY CA C 13 45.9 . . 1 . . . . . . . . 4186 1 217 . 1 1 23 23 GLY N N 15 106.5 . . 1 . . . . . . . . 4186 1 218 . 1 1 24 24 VAL H H 1 7.62 . . 1 . . . . . . . . 4186 1 219 . 1 1 24 24 VAL HA H 1 3.72 . . 1 . . . . . . . . 4186 1 220 . 1 1 24 24 VAL HB H 1 1.45 . . 1 . . . . . . . . 4186 1 221 . 1 1 24 24 VAL HG11 H 1 0.83 . . 1 . . . . . . . . 4186 1 222 . 1 1 24 24 VAL HG12 H 1 0.83 . . 1 . . . . . . . . 4186 1 223 . 1 1 24 24 VAL HG13 H 1 0.83 . . 1 . . . . . . . . 4186 1 224 . 1 1 24 24 VAL HG21 H 1 0.83 . . 1 . . . . . . . . 4186 1 225 . 1 1 24 24 VAL HG22 H 1 0.83 . . 1 . . . . . . . . 4186 1 226 . 1 1 24 24 VAL HG23 H 1 0.83 . . 1 . . . . . . . . 4186 1 227 . 1 1 24 24 VAL C C 13 173.6 . . 1 . . . . . . . . 4186 1 228 . 1 1 24 24 VAL CA C 13 63.3 . . 1 . . . . . . . . 4186 1 229 . 1 1 24 24 VAL CB C 13 31.7 . . 1 . . . . . . . . 4186 1 230 . 1 1 24 24 VAL N N 15 121.4 . . 1 . . . . . . . . 4186 1 231 . 1 1 25 25 ASN H H 1 8.68 . . 1 . . . . . . . . 4186 1 232 . 1 1 25 25 ASN HA H 1 4.38 . . 1 . . . . . . . . 4186 1 233 . 1 1 25 25 ASN HB2 H 1 3.09 . . 2 . . . . . . . . 4186 1 234 . 1 1 25 25 ASN HB3 H 1 2.74 . . 2 . . . . . . . . 4186 1 235 . 1 1 25 25 ASN C C 13 172.8 . . 1 . . . . . . . . 4186 1 236 . 1 1 25 25 ASN CA C 13 54.2 . . 1 . . . . . . . . 4186 1 237 . 1 1 25 25 ASN CB C 13 39.3 . . 1 . . . . . . . . 4186 1 238 . 1 1 25 25 ASN N N 15 127.9 . . 1 . . . . . . . . 4186 1 239 . 1 1 26 26 VAL H H 1 8.47 . . 1 . . . . . . . . 4186 1 240 . 1 1 26 26 VAL HA H 1 3.46 . . 1 . . . . . . . . 4186 1 241 . 1 1 26 26 VAL HB H 1 2.03 . . 1 . . . . . . . . 4186 1 242 . 1 1 26 26 VAL HG11 H 1 0.96 . . 2 . . . . . . . . 4186 1 243 . 1 1 26 26 VAL HG12 H 1 0.96 . . 2 . . . . . . . . 4186 1 244 . 1 1 26 26 VAL HG13 H 1 0.96 . . 2 . . . . . . . . 4186 1 245 . 1 1 26 26 VAL HG21 H 1 0.91 . . 2 . . . . . . . . 4186 1 246 . 1 1 26 26 VAL HG22 H 1 0.91 . . 2 . . . . . . . . 4186 1 247 . 1 1 26 26 VAL HG23 H 1 0.91 . . 2 . . . . . . . . 4186 1 248 . 1 1 26 26 VAL C C 13 173.4 . . 1 . . . . . . . . 4186 1 249 . 1 1 26 26 VAL CA C 13 66.7 . . 1 . . . . . . . . 4186 1 250 . 1 1 26 26 VAL CB C 13 32.1 . . 1 . . . . . . . . 4186 1 251 . 1 1 26 26 VAL N N 15 120.3 . . 1 . . . . . . . . 4186 1 252 . 1 1 27 27 MET H H 1 7.95 . . 1 . . . . . . . . 4186 1 253 . 1 1 27 27 MET HA H 1 4.14 . . 1 . . . . . . . . 4186 1 254 . 1 1 27 27 MET HB2 H 1 2.07 . . 2 . . . . . . . . 4186 1 255 . 1 1 27 27 MET HB3 H 1 2.01 . . 2 . . . . . . . . 4186 1 256 . 1 1 27 27 MET HG2 H 1 2.59 . . 2 . . . . . . . . 4186 1 257 . 1 1 27 27 MET HG3 H 1 2.46 . . 2 . . . . . . . . 4186 1 258 . 1 1 27 27 MET CA C 13 58.5 . . 1 . . . . . . . . 4186 1 259 . 1 1 27 27 MET CB C 13 32.0 . . 1 . . . . . . . . 4186 1 260 . 1 1 27 27 MET N N 15 119.7 . . 1 . . . . . . . . 4186 1 261 . 1 1 28 28 LEU H H 1 7.82 . . 1 . . . . . . . . 4186 1 262 . 1 1 28 28 LEU HA H 1 4.08 . . 1 . . . . . . . . 4186 1 263 . 1 1 28 28 LEU HB2 H 1 1.63 . . 2 . . . . . . . . 4186 1 264 . 1 1 28 28 LEU HB3 H 1 1.32 . . 2 . . . . . . . . 4186 1 265 . 1 1 28 28 LEU HG H 1 1.09 . . 1 . . . . . . . . 4186 1 266 . 1 1 28 28 LEU HD11 H 1 0.82 . . 2 . . . . . . . . 4186 1 267 . 1 1 28 28 LEU HD12 H 1 0.82 . . 2 . . . . . . . . 4186 1 268 . 1 1 28 28 LEU HD13 H 1 0.82 . . 2 . . . . . . . . 4186 1 269 . 1 1 28 28 LEU HD21 H 1 0.76 . . 2 . . . . . . . . 4186 1 270 . 1 1 28 28 LEU HD22 H 1 0.76 . . 2 . . . . . . . . 4186 1 271 . 1 1 28 28 LEU HD23 H 1 0.76 . . 2 . . . . . . . . 4186 1 272 . 1 1 28 28 LEU N N 15 118.6 . . 1 . . . . . . . . 4186 1 273 . 1 1 29 29 ARG HA H 1 4.32 . . 1 . . . . . . . . 4186 1 274 . 1 1 29 29 ARG HB2 H 1 2.20 . . 2 . . . . . . . . 4186 1 275 . 1 1 29 29 ARG HB3 H 1 1.97 . . 2 . . . . . . . . 4186 1 276 . 1 1 29 29 ARG HG2 H 1 1.74 . . 1 . . . . . . . . 4186 1 277 . 1 1 29 29 ARG HG3 H 1 1.74 . . 1 . . . . . . . . 4186 1 278 . 1 1 29 29 ARG HD2 H 1 2.70 . . 1 . . . . . . . . 4186 1 279 . 1 1 29 29 ARG HD3 H 1 2.70 . . 1 . . . . . . . . 4186 1 280 . 1 1 30 30 LYS H H 1 7.66 . . 1 . . . . . . . . 4186 1 281 . 1 1 30 30 LYS HA H 1 3.87 . . 1 . . . . . . . . 4186 1 282 . 1 1 30 30 LYS HB2 H 1 1.89 . . 2 . . . . . . . . 4186 1 283 . 1 1 30 30 LYS HB3 H 1 1.81 . . 2 . . . . . . . . 4186 1 284 . 1 1 30 30 LYS HG2 H 1 1.68 . . 2 . . . . . . . . 4186 1 285 . 1 1 30 30 LYS HG3 H 1 1.59 . . 2 . . . . . . . . 4186 1 286 . 1 1 30 30 LYS C C 13 177.7 . . 1 . . . . . . . . 4186 1 287 . 1 1 30 30 LYS CA C 13 59.6 . . 1 . . . . . . . . 4186 1 288 . 1 1 30 30 LYS CB C 13 32.2 . . 1 . . . . . . . . 4186 1 289 . 1 1 30 30 LYS N N 15 116.5 . . 1 . . . . . . . . 4186 1 290 . 1 1 31 31 ILE H H 1 7.16 . . 1 . . . . . . . . 4186 1 291 . 1 1 31 31 ILE HA H 1 3.72 . . 1 . . . . . . . . 4186 1 292 . 1 1 31 31 ILE HB H 1 1.80 . . 1 . . . . . . . . 4186 1 293 . 1 1 31 31 ILE HG21 H 1 0.88 . . 1 . . . . . . . . 4186 1 294 . 1 1 31 31 ILE HG22 H 1 0.88 . . 1 . . . . . . . . 4186 1 295 . 1 1 31 31 ILE HG23 H 1 0.88 . . 1 . . . . . . . . 4186 1 296 . 1 1 31 31 ILE HD11 H 1 0.80 . . 1 . . . . . . . . 4186 1 297 . 1 1 31 31 ILE HD12 H 1 0.80 . . 1 . . . . . . . . 4186 1 298 . 1 1 31 31 ILE HD13 H 1 0.80 . . 1 . . . . . . . . 4186 1 299 . 1 1 31 31 ILE CA C 13 64.3 . . 1 . . . . . . . . 4186 1 300 . 1 1 31 31 ILE CB C 13 39.2 . . 1 . . . . . . . . 4186 1 301 . 1 1 31 31 ILE N N 15 119.2 . . 1 . . . . . . . . 4186 1 302 . 1 1 33 33 VAL H H 1 8.66 . . 1 . . . . . . . . 4186 1 303 . 1 1 33 33 VAL HA H 1 3.62 . . 1 . . . . . . . . 4186 1 304 . 1 1 33 33 VAL HB H 1 2.07 . . 1 . . . . . . . . 4186 1 305 . 1 1 33 33 VAL HG11 H 1 0.94 . . 1 . . . . . . . . 4186 1 306 . 1 1 33 33 VAL HG12 H 1 0.94 . . 1 . . . . . . . . 4186 1 307 . 1 1 33 33 VAL HG13 H 1 0.94 . . 1 . . . . . . . . 4186 1 308 . 1 1 33 33 VAL HG21 H 1 0.94 . . 1 . . . . . . . . 4186 1 309 . 1 1 33 33 VAL HG22 H 1 0.94 . . 1 . . . . . . . . 4186 1 310 . 1 1 33 33 VAL HG23 H 1 0.94 . . 1 . . . . . . . . 4186 1 311 . 1 1 33 33 VAL CA C 13 66.6 . . 1 . . . . . . . . 4186 1 312 . 1 1 33 33 VAL N N 15 116.7 . . 1 . . . . . . . . 4186 1 313 . 1 1 34 34 ALA HA H 1 4.08 . . 1 . . . . . . . . 4186 1 314 . 1 1 34 34 ALA HB1 H 1 1.38 . . 1 . . . . . . . . 4186 1 315 . 1 1 34 34 ALA HB2 H 1 1.38 . . 1 . . . . . . . . 4186 1 316 . 1 1 34 34 ALA HB3 H 1 1.38 . . 1 . . . . . . . . 4186 1 317 . 1 1 35 35 ALA HA H 1 4.21 . . 1 . . . . . . . . 4186 1 318 . 1 1 35 35 ALA HB1 H 1 1.38 . . 1 . . . . . . . . 4186 1 319 . 1 1 35 35 ALA HB2 H 1 1.38 . . 1 . . . . . . . . 4186 1 320 . 1 1 35 35 ALA HB3 H 1 1.38 . . 1 . . . . . . . . 4186 1 321 . 1 1 36 36 ALA C C 13 174.8 . . 1 . . . . . . . . 4186 1 322 . 1 1 36 36 ALA CA C 13 52.2 . . 1 . . . . . . . . 4186 1 323 . 1 1 36 36 ALA CB C 13 19.1 . . 1 . . . . . . . . 4186 1 324 . 1 1 37 37 SER H H 1 7.43 . . 1 . . . . . . . . 4186 1 325 . 1 1 37 37 SER HA H 1 4.70 . . 1 . . . . . . . . 4186 1 326 . 1 1 37 37 SER HB2 H 1 4.23 . . 2 . . . . . . . . 4186 1 327 . 1 1 37 37 SER HB3 H 1 4.02 . . 2 . . . . . . . . 4186 1 328 . 1 1 37 37 SER CA C 13 60.4 . . 1 . . . . . . . . 4186 1 329 . 1 1 37 37 SER N N 15 113.9 . . 1 . . . . . . . . 4186 1 330 . 1 1 40 40 ALA H H 1 8.71 . . 1 . . . . . . . . 4186 1 331 . 1 1 40 40 ALA HA H 1 4.96 . . 1 . . . . . . . . 4186 1 332 . 1 1 40 40 ALA HB1 H 1 1.45 . . 1 . . . . . . . . 4186 1 333 . 1 1 40 40 ALA HB2 H 1 1.45 . . 1 . . . . . . . . 4186 1 334 . 1 1 40 40 ALA HB3 H 1 1.45 . . 1 . . . . . . . . 4186 1 335 . 1 1 40 40 ALA C C 13 174.4 . . 1 . . . . . . . . 4186 1 336 . 1 1 40 40 ALA CA C 13 51.9 . . 1 . . . . . . . . 4186 1 337 . 1 1 40 40 ALA CB C 13 20.9 . . 1 . . . . . . . . 4186 1 338 . 1 1 40 40 ALA N N 15 123.9 . . 1 . . . . . . . . 4186 1 339 . 1 1 41 41 VAL H H 1 7.93 . . 1 . . . . . . . . 4186 1 340 . 1 1 41 41 VAL HA H 1 5.13 . . 1 . . . . . . . . 4186 1 341 . 1 1 41 41 VAL HB H 1 1.73 . . 1 . . . . . . . . 4186 1 342 . 1 1 41 41 VAL HG11 H 1 0.63 . . 2 . . . . . . . . 4186 1 343 . 1 1 41 41 VAL HG12 H 1 0.63 . . 2 . . . . . . . . 4186 1 344 . 1 1 41 41 VAL HG13 H 1 0.63 . . 2 . . . . . . . . 4186 1 345 . 1 1 41 41 VAL HG21 H 1 0.46 . . 2 . . . . . . . . 4186 1 346 . 1 1 41 41 VAL HG22 H 1 0.46 . . 2 . . . . . . . . 4186 1 347 . 1 1 41 41 VAL HG23 H 1 0.46 . . 2 . . . . . . . . 4186 1 348 . 1 1 41 41 VAL C C 13 171.5 . . 1 . . . . . . . . 4186 1 349 . 1 1 41 41 VAL CA C 13 61.2 . . 1 . . . . . . . . 4186 1 350 . 1 1 41 41 VAL CB C 13 35.3 . . 1 . . . . . . . . 4186 1 351 . 1 1 41 41 VAL N N 15 125.2 . . 1 . . . . . . . . 4186 1 352 . 1 1 42 42 GLU H H 1 9.30 . . 1 . . . . . . . . 4186 1 353 . 1 1 42 42 GLU HA H 1 5.36 . . 1 . . . . . . . . 4186 1 354 . 1 1 42 42 GLU HB2 H 1 2.06 . . 2 . . . . . . . . 4186 1 355 . 1 1 42 42 GLU HB3 H 1 1.99 . . 2 . . . . . . . . 4186 1 356 . 1 1 42 42 GLU HG2 H 1 2.25 . . 1 . . . . . . . . 4186 1 357 . 1 1 42 42 GLU HG3 H 1 2.25 . . 1 . . . . . . . . 4186 1 358 . 1 1 42 42 GLU C C 13 172.1 . . 1 . . . . . . . . 4186 1 359 . 1 1 42 42 GLU CA C 13 54.6 . . 1 . . . . . . . . 4186 1 360 . 1 1 42 42 GLU CB C 13 33.4 . . 1 . . . . . . . . 4186 1 361 . 1 1 42 42 GLU N N 15 130.0 . . 1 . . . . . . . . 4186 1 362 . 1 1 43 43 ILE H H 1 9.30 . . 1 . . . . . . . . 4186 1 363 . 1 1 43 43 ILE HA H 1 5.34 . . 1 . . . . . . . . 4186 1 364 . 1 1 43 43 ILE HB H 1 2.27 . . 1 . . . . . . . . 4186 1 365 . 1 1 43 43 ILE HG12 H 1 1.66 . . 1 . . . . . . . . 4186 1 366 . 1 1 43 43 ILE HG13 H 1 1.66 . . 1 . . . . . . . . 4186 1 367 . 1 1 43 43 ILE HG21 H 1 0.85 . . 1 . . . . . . . . 4186 1 368 . 1 1 43 43 ILE HG22 H 1 0.85 . . 1 . . . . . . . . 4186 1 369 . 1 1 43 43 ILE HG23 H 1 0.85 . . 1 . . . . . . . . 4186 1 370 . 1 1 43 43 ILE HD11 H 1 0.51 . . 1 . . . . . . . . 4186 1 371 . 1 1 43 43 ILE HD12 H 1 0.51 . . 1 . . . . . . . . 4186 1 372 . 1 1 43 43 ILE HD13 H 1 0.51 . . 1 . . . . . . . . 4186 1 373 . 1 1 43 43 ILE C C 13 173.9 . . 1 . . . . . . . . 4186 1 374 . 1 1 43 43 ILE CA C 13 60.0 . . 1 . . . . . . . . 4186 1 375 . 1 1 43 43 ILE CB C 13 40.8 . . 1 . . . . . . . . 4186 1 376 . 1 1 43 43 ILE N N 15 123.1 . . 1 . . . . . . . . 4186 1 377 . 1 1 44 44 LYS H H 1 9.56 . . 1 . . . . . . . . 4186 1 378 . 1 1 44 44 LYS HA H 1 4.60 . . 1 . . . . . . . . 4186 1 379 . 1 1 44 44 LYS HB2 H 1 1.87 . . 2 . . . . . . . . 4186 1 380 . 1 1 44 44 LYS HB3 H 1 1.76 . . 2 . . . . . . . . 4186 1 381 . 1 1 44 44 LYS HG2 H 1 1.54 . . 2 . . . . . . . . 4186 1 382 . 1 1 44 44 LYS HG3 H 1 1.41 . . 2 . . . . . . . . 4186 1 383 . 1 1 44 44 LYS HD2 H 1 1.33 . . 2 . . . . . . . . 4186 1 384 . 1 1 44 44 LYS HD3 H 1 1.24 . . 2 . . . . . . . . 4186 1 385 . 1 1 44 44 LYS C C 13 170.8 . . 1 . . . . . . . . 4186 1 386 . 1 1 44 44 LYS CA C 13 56.4 . . 1 . . . . . . . . 4186 1 387 . 1 1 44 44 LYS CB C 13 35.3 . . 1 . . . . . . . . 4186 1 388 . 1 1 44 44 LYS N N 15 128.9 . . 1 . . . . . . . . 4186 1 389 . 1 1 45 45 GLN H H 1 8.58 . . 1 . . . . . . . . 4186 1 390 . 1 1 45 45 GLN HA H 1 4.45 . . 1 . . . . . . . . 4186 1 391 . 1 1 45 45 GLN HB2 H 1 1.82 . . 2 . . . . . . . . 4186 1 392 . 1 1 45 45 GLN HB3 H 1 1.71 . . 2 . . . . . . . . 4186 1 393 . 1 1 45 45 GLN HG2 H 1 2.03 . . 1 . . . . . . . . 4186 1 394 . 1 1 45 45 GLN HG3 H 1 2.03 . . 1 . . . . . . . . 4186 1 395 . 1 1 45 45 GLN C C 13 172.2 . . 1 . . . . . . . . 4186 1 396 . 1 1 45 45 GLN CA C 13 53.9 . . 1 . . . . . . . . 4186 1 397 . 1 1 45 45 GLN CB C 13 30.6 . . 1 . . . . . . . . 4186 1 398 . 1 1 45 45 GLN N N 15 128.0 . . 1 . . . . . . . . 4186 1 399 . 1 1 46 46 GLU H H 1 8.53 . . 1 . . . . . . . . 4186 1 400 . 1 1 46 46 GLU HA H 1 4.37 . . 1 . . . . . . . . 4186 1 401 . 1 1 46 46 GLU HB2 H 1 1.62 . . 2 . . . . . . . . 4186 1 402 . 1 1 46 46 GLU HB3 H 1 1.26 . . 2 . . . . . . . . 4186 1 403 . 1 1 46 46 GLU HG2 H 1 2.02 . . 1 . . . . . . . . 4186 1 404 . 1 1 46 46 GLU HG3 H 1 2.02 . . 1 . . . . . . . . 4186 1 405 . 1 1 46 46 GLU C C 13 173.5 . . 1 . . . . . . . . 4186 1 406 . 1 1 46 46 GLU CA C 13 55.1 . . 1 . . . . . . . . 4186 1 407 . 1 1 46 46 GLU CB C 13 31.0 . . 1 . . . . . . . . 4186 1 408 . 1 1 46 46 GLU N N 15 128.9 . . 1 . . . . . . . . 4186 1 409 . 1 1 47 47 GLY H H 1 9.10 . . 1 . . . . . . . . 4186 1 410 . 1 1 47 47 GLY HA2 H 1 3.94 . . 2 . . . . . . . . 4186 1 411 . 1 1 47 47 GLY HA3 H 1 3.58 . . 2 . . . . . . . . 4186 1 412 . 1 1 47 47 GLY C C 13 170.6 . . 1 . . . . . . . . 4186 1 413 . 1 1 47 47 GLY CA C 13 48.0 . . 1 . . . . . . . . 4186 1 414 . 1 1 47 47 GLY N N 15 117.9 . . 1 . . . . . . . . 4186 1 415 . 1 1 48 48 ASP H H 1 8.54 . . 1 . . . . . . . . 4186 1 416 . 1 1 48 48 ASP HA H 1 5.18 . . 1 . . . . . . . . 4186 1 417 . 1 1 48 48 ASP HB2 H 1 3.15 . . 2 . . . . . . . . 4186 1 418 . 1 1 48 48 ASP HB3 H 1 2.68 . . 2 . . . . . . . . 4186 1 419 . 1 1 48 48 ASP C C 13 172.5 . . 1 . . . . . . . . 4186 1 420 . 1 1 48 48 ASP CA C 13 54.5 . . 1 . . . . . . . . 4186 1 421 . 1 1 48 48 ASP CB C 13 42.1 . . 1 . . . . . . . . 4186 1 422 . 1 1 48 48 ASP N N 15 126.6 . . 1 . . . . . . . . 4186 1 423 . 1 1 49 49 THR H H 1 8.08 . . 1 . . . . . . . . 4186 1 424 . 1 1 49 49 THR HA H 1 4.70 . . 1 . . . . . . . . 4186 1 425 . 1 1 49 49 THR HB H 1 4.14 . . 1 . . . . . . . . 4186 1 426 . 1 1 49 49 THR HG21 H 1 0.99 . . 1 . . . . . . . . 4186 1 427 . 1 1 49 49 THR HG22 H 1 0.99 . . 1 . . . . . . . . 4186 1 428 . 1 1 49 49 THR HG23 H 1 0.99 . . 1 . . . . . . . . 4186 1 429 . 1 1 49 49 THR C C 13 170.1 . . 1 . . . . . . . . 4186 1 430 . 1 1 49 49 THR CA C 13 63.0 . . 1 . . . . . . . . 4186 1 431 . 1 1 49 49 THR CB C 13 69.6 . . 1 . . . . . . . . 4186 1 432 . 1 1 49 49 THR N N 15 116.7 . . 1 . . . . . . . . 4186 1 433 . 1 1 50 50 PHE H H 1 9.08 . . 1 . . . . . . . . 4186 1 434 . 1 1 50 50 PHE HA H 1 4.56 . . 1 . . . . . . . . 4186 1 435 . 1 1 50 50 PHE HB2 H 1 1.65 . . 1 . . . . . . . . 4186 1 436 . 1 1 50 50 PHE HB3 H 1 1.65 . . 1 . . . . . . . . 4186 1 437 . 1 1 50 50 PHE C C 13 173.1 . . 1 . . . . . . . . 4186 1 438 . 1 1 50 50 PHE CA C 13 57.6 . . 1 . . . . . . . . 4186 1 439 . 1 1 50 50 PHE CB C 13 44.6 . . 1 . . . . . . . . 4186 1 440 . 1 1 50 50 PHE N N 15 124.2 . . 1 . . . . . . . . 4186 1 441 . 1 1 51 51 TYR H H 1 8.35 . . 1 . . . . . . . . 4186 1 442 . 1 1 51 51 TYR HA H 1 5.24 . . 1 . . . . . . . . 4186 1 443 . 1 1 51 51 TYR HB2 H 1 3.01 . . 2 . . . . . . . . 4186 1 444 . 1 1 51 51 TYR HB3 H 1 2.70 . . 2 . . . . . . . . 4186 1 445 . 1 1 51 51 TYR C C 13 172.8 . . 1 . . . . . . . . 4186 1 446 . 1 1 51 51 TYR CA C 13 56.3 . . 1 . . . . . . . . 4186 1 447 . 1 1 51 51 TYR CB C 13 41.0 . . 1 . . . . . . . . 4186 1 448 . 1 1 51 51 TYR N N 15 122.5 . . 1 . . . . . . . . 4186 1 449 . 1 1 52 52 ILE H H 1 8.41 . . 1 . . . . . . . . 4186 1 450 . 1 1 52 52 ILE HA H 1 4.60 . . 1 . . . . . . . . 4186 1 451 . 1 1 52 52 ILE HB H 1 1.84 . . 1 . . . . . . . . 4186 1 452 . 1 1 52 52 ILE HG12 H 1 1.26 . . 1 . . . . . . . . 4186 1 453 . 1 1 52 52 ILE HG13 H 1 1.26 . . 1 . . . . . . . . 4186 1 454 . 1 1 52 52 ILE HG21 H 1 0.80 . . 1 . . . . . . . . 4186 1 455 . 1 1 52 52 ILE HG22 H 1 0.80 . . 1 . . . . . . . . 4186 1 456 . 1 1 52 52 ILE HG23 H 1 0.80 . . 1 . . . . . . . . 4186 1 457 . 1 1 52 52 ILE HD11 H 1 0.31 . . 1 . . . . . . . . 4186 1 458 . 1 1 52 52 ILE HD12 H 1 0.31 . . 1 . . . . . . . . 4186 1 459 . 1 1 52 52 ILE HD13 H 1 0.31 . . 1 . . . . . . . . 4186 1 460 . 1 1 52 52 ILE C C 13 171.6 . . 1 . . . . . . . . 4186 1 461 . 1 1 52 52 ILE CA C 13 61.0 . . 1 . . . . . . . . 4186 1 462 . 1 1 52 52 ILE CB C 13 40.4 . . 1 . . . . . . . . 4186 1 463 . 1 1 52 52 ILE N N 15 123.3 . . 1 . . . . . . . . 4186 1 464 . 1 1 53 53 LYS H H 1 9.30 . . 1 . . . . . . . . 4186 1 465 . 1 1 53 53 LYS HA H 1 5.08 . . 1 . . . . . . . . 4186 1 466 . 1 1 53 53 LYS HB2 H 1 1.76 . . 2 . . . . . . . . 4186 1 467 . 1 1 53 53 LYS HB3 H 1 1.58 . . 2 . . . . . . . . 4186 1 468 . 1 1 53 53 LYS HG2 H 1 1.17 . . 1 . . . . . . . . 4186 1 469 . 1 1 53 53 LYS HG3 H 1 1.17 . . 1 . . . . . . . . 4186 1 470 . 1 1 53 53 LYS HD2 H 1 0.44 . . 2 . . . . . . . . 4186 1 471 . 1 1 53 53 LYS HD3 H 1 0.29 . . 2 . . . . . . . . 4186 1 472 . 1 1 53 53 LYS HE2 H 1 2.84 . . 1 . . . . . . . . 4186 1 473 . 1 1 53 53 LYS HE3 H 1 2.84 . . 1 . . . . . . . . 4186 1 474 . 1 1 53 53 LYS C C 13 172.0 . . 1 . . . . . . . . 4186 1 475 . 1 1 53 53 LYS CA C 13 54.5 . . 1 . . . . . . . . 4186 1 476 . 1 1 53 53 LYS CB C 13 34.9 . . 1 . . . . . . . . 4186 1 477 . 1 1 53 53 LYS N N 15 133.1 . . 1 . . . . . . . . 4186 1 478 . 1 1 54 54 THR H H 1 8.85 . . 1 . . . . . . . . 4186 1 479 . 1 1 54 54 THR HA H 1 4.88 . . 1 . . . . . . . . 4186 1 480 . 1 1 54 54 THR HB H 1 3.86 . . 1 . . . . . . . . 4186 1 481 . 1 1 54 54 THR HG21 H 1 0.94 . . 1 . . . . . . . . 4186 1 482 . 1 1 54 54 THR HG22 H 1 0.94 . . 1 . . . . . . . . 4186 1 483 . 1 1 54 54 THR HG23 H 1 0.94 . . 1 . . . . . . . . 4186 1 484 . 1 1 54 54 THR CA C 13 62.1 . . 1 . . . . . . . . 4186 1 485 . 1 1 54 54 THR CB C 13 70.0 . . 1 . . . . . . . . 4186 1 486 . 1 1 54 54 THR N N 15 124.4 . . 1 . . . . . . . . 4186 1 487 . 1 1 55 55 SER H H 1 9.43 . . 1 . . . . . . . . 4186 1 488 . 1 1 55 55 SER HA H 1 5.30 . . 1 . . . . . . . . 4186 1 489 . 1 1 55 55 SER HB2 H 1 3.83 . . 2 . . . . . . . . 4186 1 490 . 1 1 55 55 SER HB3 H 1 3.74 . . 2 . . . . . . . . 4186 1 491 . 1 1 55 55 SER CA C 13 58.0 . . 1 . . . . . . . . 4186 1 492 . 1 1 55 55 SER CB C 13 65.0 . . 1 . . . . . . . . 4186 1 493 . 1 1 55 55 SER N N 15 122.7 . . 1 . . . . . . . . 4186 1 494 . 1 1 56 56 THR H H 1 8.71 . . 1 . . . . . . . . 4186 1 495 . 1 1 56 56 THR HA H 1 4.85 . . 1 . . . . . . . . 4186 1 496 . 1 1 56 56 THR HB H 1 4.61 . . 1 . . . . . . . . 4186 1 497 . 1 1 56 56 THR HG21 H 1 1.07 . . 1 . . . . . . . . 4186 1 498 . 1 1 56 56 THR HG22 H 1 1.07 . . 1 . . . . . . . . 4186 1 499 . 1 1 56 56 THR HG23 H 1 1.07 . . 1 . . . . . . . . 4186 1 500 . 1 1 56 56 THR N N 15 124.0 . . 1 . . . . . . . . 4186 1 501 . 1 1 57 57 THR HA H 1 4.00 . . 1 . . . . . . . . 4186 1 502 . 1 1 57 57 THR HB H 1 4.23 . . 1 . . . . . . . . 4186 1 503 . 1 1 57 57 THR HG21 H 1 1.27 . . 1 . . . . . . . . 4186 1 504 . 1 1 57 57 THR HG22 H 1 1.27 . . 1 . . . . . . . . 4186 1 505 . 1 1 57 57 THR HG23 H 1 1.27 . . 1 . . . . . . . . 4186 1 506 . 1 1 57 57 THR C C 13 173.5 . . 1 . . . . . . . . 4186 1 507 . 1 1 57 57 THR CA C 13 64.9 . . 1 . . . . . . . . 4186 1 508 . 1 1 57 57 THR CB C 13 66.7 . . 1 . . . . . . . . 4186 1 509 . 1 1 58 58 VAL HA H 1 4.16 . . 1 . . . . . . . . 4186 1 510 . 1 1 58 58 VAL HB H 1 1.96 . . 1 . . . . . . . . 4186 1 511 . 1 1 58 58 VAL HG11 H 1 0.79 . . 2 . . . . . . . . 4186 1 512 . 1 1 58 58 VAL HG12 H 1 0.79 . . 2 . . . . . . . . 4186 1 513 . 1 1 58 58 VAL HG13 H 1 0.79 . . 2 . . . . . . . . 4186 1 514 . 1 1 58 58 VAL HG21 H 1 0.74 . . 2 . . . . . . . . 4186 1 515 . 1 1 58 58 VAL HG22 H 1 0.74 . . 2 . . . . . . . . 4186 1 516 . 1 1 58 58 VAL HG23 H 1 0.74 . . 2 . . . . . . . . 4186 1 517 . 1 1 58 58 VAL CA C 13 62.2 . . 1 . . . . . . . . 4186 1 518 . 1 1 60 60 THR H H 1 8.58 . . 1 . . . . . . . . 4186 1 519 . 1 1 60 60 THR HA H 1 5.20 . . 1 . . . . . . . . 4186 1 520 . 1 1 60 60 THR HB H 1 3.90 . . 1 . . . . . . . . 4186 1 521 . 1 1 60 60 THR HG21 H 1 1.06 . . 1 . . . . . . . . 4186 1 522 . 1 1 60 60 THR HG22 H 1 1.06 . . 1 . . . . . . . . 4186 1 523 . 1 1 60 60 THR HG23 H 1 1.06 . . 1 . . . . . . . . 4186 1 524 . 1 1 60 60 THR CA C 13 60.3 . . 1 . . . . . . . . 4186 1 525 . 1 1 60 60 THR CB C 13 71.7 . . 1 . . . . . . . . 4186 1 526 . 1 1 60 60 THR N N 15 123.5 . . 1 . . . . . . . . 4186 1 527 . 1 1 61 61 THR HA H 1 4.61 . . 1 . . . . . . . . 4186 1 528 . 1 1 61 61 THR HB H 1 3.97 . . 1 . . . . . . . . 4186 1 529 . 1 1 61 61 THR HG21 H 1 1.06 . . 1 . . . . . . . . 4186 1 530 . 1 1 61 61 THR HG22 H 1 1.06 . . 1 . . . . . . . . 4186 1 531 . 1 1 61 61 THR HG23 H 1 1.06 . . 1 . . . . . . . . 4186 1 532 . 1 1 61 61 THR CA C 13 60.1 . . 1 . . . . . . . . 4186 1 533 . 1 1 61 61 THR CB C 13 71.7 . . 1 . . . . . . . . 4186 1 534 . 1 1 62 62 GLU H H 1 8.73 . . 1 . . . . . . . . 4186 1 535 . 1 1 62 62 GLU HA H 1 4.98 . . 1 . . . . . . . . 4186 1 536 . 1 1 62 62 GLU HB2 H 1 2.02 . . 2 . . . . . . . . 4186 1 537 . 1 1 62 62 GLU HB3 H 1 1.91 . . 2 . . . . . . . . 4186 1 538 . 1 1 62 62 GLU N N 15 122.9 . . 1 . . . . . . . . 4186 1 539 . 1 1 63 63 ILE HA H 1 4.88 . . 1 . . . . . . . . 4186 1 540 . 1 1 63 63 ILE HB H 1 1.85 . . 1 . . . . . . . . 4186 1 541 . 1 1 63 63 ILE HG12 H 1 1.16 . . 2 . . . . . . . . 4186 1 542 . 1 1 63 63 ILE HG13 H 1 1.01 . . 2 . . . . . . . . 4186 1 543 . 1 1 63 63 ILE HG21 H 1 1.09 . . 1 . . . . . . . . 4186 1 544 . 1 1 63 63 ILE HG22 H 1 1.09 . . 1 . . . . . . . . 4186 1 545 . 1 1 63 63 ILE HG23 H 1 1.09 . . 1 . . . . . . . . 4186 1 546 . 1 1 63 63 ILE HD11 H 1 0.80 . . 1 . . . . . . . . 4186 1 547 . 1 1 63 63 ILE HD12 H 1 0.80 . . 1 . . . . . . . . 4186 1 548 . 1 1 63 63 ILE HD13 H 1 0.80 . . 1 . . . . . . . . 4186 1 549 . 1 1 63 63 ILE C C 13 170.5 . . 1 . . . . . . . . 4186 1 550 . 1 1 63 63 ILE CA C 13 59.5 . . 1 . . . . . . . . 4186 1 551 . 1 1 63 63 ILE CB C 13 42.2 . . 1 . . . . . . . . 4186 1 552 . 1 1 64 64 ASN H H 1 8.10 . . 1 . . . . . . . . 4186 1 553 . 1 1 64 64 ASN HA H 1 5.56 . . 1 . . . . . . . . 4186 1 554 . 1 1 64 64 ASN HB2 H 1 2.54 . . 2 . . . . . . . . 4186 1 555 . 1 1 64 64 ASN HB3 H 1 2.50 . . 2 . . . . . . . . 4186 1 556 . 1 1 64 64 ASN C C 13 169.7 . . 1 . . . . . . . . 4186 1 557 . 1 1 64 64 ASN CA C 13 52.3 . . 1 . . . . . . . . 4186 1 558 . 1 1 64 64 ASN CB C 13 42.8 . . 1 . . . . . . . . 4186 1 559 . 1 1 64 64 ASN N N 15 120.4 . . 1 . . . . . . . . 4186 1 560 . 1 1 65 65 PHE H H 1 8.34 . . 1 . . . . . . . . 4186 1 561 . 1 1 65 65 PHE HA H 1 4.65 . . 1 . . . . . . . . 4186 1 562 . 1 1 65 65 PHE HB2 H 1 2.15 . . 1 . . . . . . . . 4186 1 563 . 1 1 65 65 PHE HB3 H 1 2.15 . . 1 . . . . . . . . 4186 1 564 . 1 1 65 65 PHE C C 13 169.1 . . 1 . . . . . . . . 4186 1 565 . 1 1 65 65 PHE CA C 13 55.9 . . 1 . . . . . . . . 4186 1 566 . 1 1 65 65 PHE CB C 13 39.8 . . 1 . . . . . . . . 4186 1 567 . 1 1 65 65 PHE N N 15 117.2 . . 1 . . . . . . . . 4186 1 568 . 1 1 66 66 LYS H H 1 9.32 . . 1 . . . . . . . . 4186 1 569 . 1 1 66 66 LYS HA H 1 4.65 . . 1 . . . . . . . . 4186 1 570 . 1 1 66 66 LYS HB2 H 1 1.63 . . 2 . . . . . . . . 4186 1 571 . 1 1 66 66 LYS HB3 H 1 1.49 . . 2 . . . . . . . . 4186 1 572 . 1 1 66 66 LYS HG2 H 1 1.45 . . 2 . . . . . . . . 4186 1 573 . 1 1 66 66 LYS HG3 H 1 1.28 . . 2 . . . . . . . . 4186 1 574 . 1 1 66 66 LYS HE2 H 1 2.92 . . 1 . . . . . . . . 4186 1 575 . 1 1 66 66 LYS HE3 H 1 2.92 . . 1 . . . . . . . . 4186 1 576 . 1 1 66 66 LYS C C 13 175.2 . . 1 . . . . . . . . 4186 1 577 . 1 1 66 66 LYS CA C 13 53.9 . . 1 . . . . . . . . 4186 1 578 . 1 1 66 66 LYS CB C 13 35.4 . . 1 . . . . . . . . 4186 1 579 . 1 1 66 66 LYS N N 15 120.8 . . 1 . . . . . . . . 4186 1 580 . 1 1 67 67 VAL H H 1 9.01 . . 1 . . . . . . . . 4186 1 581 . 1 1 67 67 VAL HA H 1 3.23 . . 1 . . . . . . . . 4186 1 582 . 1 1 67 67 VAL HB H 1 1.85 . . 1 . . . . . . . . 4186 1 583 . 1 1 67 67 VAL HG11 H 1 0.64 . . 2 . . . . . . . . 4186 1 584 . 1 1 67 67 VAL HG12 H 1 0.64 . . 2 . . . . . . . . 4186 1 585 . 1 1 67 67 VAL HG13 H 1 0.64 . . 2 . . . . . . . . 4186 1 586 . 1 1 67 67 VAL HG21 H 1 0.43 . . 2 . . . . . . . . 4186 1 587 . 1 1 67 67 VAL HG22 H 1 0.43 . . 2 . . . . . . . . 4186 1 588 . 1 1 67 67 VAL HG23 H 1 0.43 . . 2 . . . . . . . . 4186 1 589 . 1 1 67 67 VAL C C 13 174.1 . . 1 . . . . . . . . 4186 1 590 . 1 1 67 67 VAL CA C 13 67.1 . . 1 . . . . . . . . 4186 1 591 . 1 1 67 67 VAL CB C 13 31.9 . . 1 . . . . . . . . 4186 1 592 . 1 1 67 67 VAL N N 15 127.5 . . 1 . . . . . . . . 4186 1 593 . 1 1 68 68 GLY H H 1 8.91 . . 1 . . . . . . . . 4186 1 594 . 1 1 68 68 GLY HA2 H 1 4.38 . . 2 . . . . . . . . 4186 1 595 . 1 1 68 68 GLY HA3 H 1 3.61 . . 2 . . . . . . . . 4186 1 596 . 1 1 68 68 GLY C C 13 170.7 . . 1 . . . . . . . . 4186 1 597 . 1 1 68 68 GLY CA C 13 45.7 . . 1 . . . . . . . . 4186 1 598 . 1 1 68 68 GLY N N 15 114.9 . . 1 . . . . . . . . 4186 1 599 . 1 1 69 69 GLU H H 1 7.94 . . 1 . . . . . . . . 4186 1 600 . 1 1 69 69 GLU HA H 1 4.77 . . 1 . . . . . . . . 4186 1 601 . 1 1 69 69 GLU HB2 H 1 2.16 . . 2 . . . . . . . . 4186 1 602 . 1 1 69 69 GLU HB3 H 1 1.96 . . 2 . . . . . . . . 4186 1 603 . 1 1 69 69 GLU HG2 H 1 2.19 . . 1 . . . . . . . . 4186 1 604 . 1 1 69 69 GLU HG3 H 1 2.19 . . 1 . . . . . . . . 4186 1 605 . 1 1 69 69 GLU C C 13 171.5 . . 1 . . . . . . . . 4186 1 606 . 1 1 69 69 GLU CA C 13 54.9 . . 1 . . . . . . . . 4186 1 607 . 1 1 69 69 GLU CB C 13 35.3 . . 1 . . . . . . . . 4186 1 608 . 1 1 69 69 GLU N N 15 120.2 . . 1 . . . . . . . . 4186 1 609 . 1 1 70 70 GLU H H 1 9.21 . . 1 . . . . . . . . 4186 1 610 . 1 1 70 70 GLU HA H 1 4.88 . . 1 . . . . . . . . 4186 1 611 . 1 1 70 70 GLU HB2 H 1 1.99 . . 2 . . . . . . . . 4186 1 612 . 1 1 70 70 GLU HB3 H 1 1.91 . . 2 . . . . . . . . 4186 1 613 . 1 1 70 70 GLU HG2 H 1 2.20 . . 2 . . . . . . . . 4186 1 614 . 1 1 70 70 GLU HG3 H 1 2.13 . . 2 . . . . . . . . 4186 1 615 . 1 1 70 70 GLU C C 13 172.6 . . 1 . . . . . . . . 4186 1 616 . 1 1 70 70 GLU CA C 13 57.6 . . 1 . . . . . . . . 4186 1 617 . 1 1 70 70 GLU CB C 13 31.4 . . 1 . . . . . . . . 4186 1 618 . 1 1 70 70 GLU N N 15 130.3 . . 1 . . . . . . . . 4186 1 619 . 1 1 71 71 PHE H H 1 9.06 . . 1 . . . . . . . . 4186 1 620 . 1 1 71 71 PHE HA H 1 5.11 . . 1 . . . . . . . . 4186 1 621 . 1 1 71 71 PHE HB2 H 1 3.53 . . 2 . . . . . . . . 4186 1 622 . 1 1 71 71 PHE HB3 H 1 3.20 . . 2 . . . . . . . . 4186 1 623 . 1 1 71 71 PHE C C 13 169.5 . . 1 . . . . . . . . 4186 1 624 . 1 1 71 71 PHE CA C 13 55.8 . . 1 . . . . . . . . 4186 1 625 . 1 1 71 71 PHE CB C 13 41.4 . . 1 . . . . . . . . 4186 1 626 . 1 1 71 71 PHE N N 15 121.4 . . 1 . . . . . . . . 4186 1 627 . 1 1 72 72 GLU H H 1 8.67 . . 1 . . . . . . . . 4186 1 628 . 1 1 72 72 GLU HA H 1 5.05 . . 1 . . . . . . . . 4186 1 629 . 1 1 72 72 GLU HB2 H 1 2.02 . . 2 . . . . . . . . 4186 1 630 . 1 1 72 72 GLU HB3 H 1 1.91 . . 2 . . . . . . . . 4186 1 631 . 1 1 72 72 GLU HG2 H 1 2.30 . . 2 . . . . . . . . 4186 1 632 . 1 1 72 72 GLU HG3 H 1 2.13 . . 2 . . . . . . . . 4186 1 633 . 1 1 72 72 GLU C C 13 173.1 . . 1 . . . . . . . . 4186 1 634 . 1 1 72 72 GLU CA C 13 55.3 . . 1 . . . . . . . . 4186 1 635 . 1 1 72 72 GLU CB C 13 31.9 . . 1 . . . . . . . . 4186 1 636 . 1 1 72 72 GLU N N 15 119.6 . . 1 . . . . . . . . 4186 1 637 . 1 1 73 73 GLU H H 1 8.44 . . 1 . . . . . . . . 4186 1 638 . 1 1 73 73 GLU HA H 1 4.73 . . 1 . . . . . . . . 4186 1 639 . 1 1 73 73 GLU HB2 H 1 2.02 . . 2 . . . . . . . . 4186 1 640 . 1 1 73 73 GLU HB3 H 1 1.90 . . 2 . . . . . . . . 4186 1 641 . 1 1 73 73 GLU HG2 H 1 2.14 . . 1 . . . . . . . . 4186 1 642 . 1 1 73 73 GLU HG3 H 1 2.14 . . 1 . . . . . . . . 4186 1 643 . 1 1 73 73 GLU C C 13 171.6 . . 1 . . . . . . . . 4186 1 644 . 1 1 73 73 GLU CA C 13 55.3 . . 1 . . . . . . . . 4186 1 645 . 1 1 73 73 GLU CB C 13 29.7 . . 1 . . . . . . . . 4186 1 646 . 1 1 73 73 GLU N N 15 122.4 . . 1 . . . . . . . . 4186 1 647 . 1 1 74 74 GLN H H 1 7.59 . . 1 . . . . . . . . 4186 1 648 . 1 1 74 74 GLN HA H 1 5.30 . . 1 . . . . . . . . 4186 1 649 . 1 1 74 74 GLN HB2 H 1 1.73 . . 2 . . . . . . . . 4186 1 650 . 1 1 74 74 GLN HB3 H 1 1.70 . . 2 . . . . . . . . 4186 1 651 . 1 1 74 74 GLN HG2 H 1 2.17 . . 2 . . . . . . . . 4186 1 652 . 1 1 74 74 GLN HG3 H 1 1.99 . . 2 . . . . . . . . 4186 1 653 . 1 1 74 74 GLN C C 13 174.3 . . 1 . . . . . . . . 4186 1 654 . 1 1 74 74 GLN CA C 13 54.2 . . 1 . . . . . . . . 4186 1 655 . 1 1 74 74 GLN CB C 13 33.1 . . 1 . . . . . . . . 4186 1 656 . 1 1 74 74 GLN N N 15 117.9 . . 1 . . . . . . . . 4186 1 657 . 1 1 75 75 THR H H 1 9.18 . . 1 . . . . . . . . 4186 1 658 . 1 1 75 75 THR HA H 1 4.55 . . 1 . . . . . . . . 4186 1 659 . 1 1 75 75 THR HB H 1 4.16 . . 1 . . . . . . . . 4186 1 660 . 1 1 75 75 THR HG21 H 1 1.03 . . 1 . . . . . . . . 4186 1 661 . 1 1 75 75 THR HG22 H 1 1.03 . . 1 . . . . . . . . 4186 1 662 . 1 1 75 75 THR HG23 H 1 1.03 . . 1 . . . . . . . . 4186 1 663 . 1 1 75 75 THR C C 13 175.4 . . 1 . . . . . . . . 4186 1 664 . 1 1 75 75 THR CA C 13 62.4 . . 1 . . . . . . . . 4186 1 665 . 1 1 75 75 THR CB C 13 71.2 . . 1 . . . . . . . . 4186 1 666 . 1 1 75 75 THR N N 15 111.8 . . 1 . . . . . . . . 4186 1 667 . 1 1 76 76 VAL H H 1 9.18 . . 1 . . . . . . . . 4186 1 668 . 1 1 76 76 VAL HA H 1 3.82 . . 1 . . . . . . . . 4186 1 669 . 1 1 76 76 VAL HB H 1 2.00 . . 1 . . . . . . . . 4186 1 670 . 1 1 76 76 VAL HG11 H 1 1.01 . . 2 . . . . . . . . 4186 1 671 . 1 1 76 76 VAL HG12 H 1 1.01 . . 2 . . . . . . . . 4186 1 672 . 1 1 76 76 VAL HG13 H 1 1.01 . . 2 . . . . . . . . 4186 1 673 . 1 1 76 76 VAL HG21 H 1 0.81 . . 2 . . . . . . . . 4186 1 674 . 1 1 76 76 VAL HG22 H 1 0.81 . . 2 . . . . . . . . 4186 1 675 . 1 1 76 76 VAL HG23 H 1 0.81 . . 2 . . . . . . . . 4186 1 676 . 1 1 76 76 VAL CA C 13 65.6 . . 1 . . . . . . . . 4186 1 677 . 1 1 76 76 VAL CB C 13 32.1 . . 1 . . . . . . . . 4186 1 678 . 1 1 76 76 VAL N N 15 122.4 . . 1 . . . . . . . . 4186 1 679 . 1 1 78 78 GLY H H 1 7.93 . . 1 . . . . . . . . 4186 1 680 . 1 1 78 78 GLY HA2 H 1 4.10 . . 2 . . . . . . . . 4186 1 681 . 1 1 78 78 GLY HA3 H 1 3.55 . . 2 . . . . . . . . 4186 1 682 . 1 1 78 78 GLY CA C 13 45.9 . . 1 . . . . . . . . 4186 1 683 . 1 1 78 78 GLY N N 15 107.2 . . 1 . . . . . . . . 4186 1 684 . 1 1 79 79 ARG H H 1 7.86 . . 1 . . . . . . . . 4186 1 685 . 1 1 79 79 ARG C C 13 171.4 . . 1 . . . . . . . . 4186 1 686 . 1 1 79 79 ARG CA C 13 54.0 . . 1 . . . . . . . . 4186 1 687 . 1 1 79 79 ARG CB C 13 29.8 . . 1 . . . . . . . . 4186 1 688 . 1 1 79 79 ARG N N 15 121.0 . . 1 . . . . . . . . 4186 1 689 . 1 1 80 80 PRO HA H 1 4.66 . . 1 . . . . . . . . 4186 1 690 . 1 1 80 80 PRO HB2 H 1 2.38 . . 2 . . . . . . . . 4186 1 691 . 1 1 80 80 PRO HB3 H 1 1.86 . . 2 . . . . . . . . 4186 1 692 . 1 1 80 80 PRO HG2 H 1 2.15 . . 2 . . . . . . . . 4186 1 693 . 1 1 80 80 PRO HG3 H 1 1.99 . . 2 . . . . . . . . 4186 1 694 . 1 1 80 80 PRO C C 13 173.6 . . 1 . . . . . . . . 4186 1 695 . 1 1 80 80 PRO CA C 13 63.8 . . 1 . . . . . . . . 4186 1 696 . 1 1 80 80 PRO CB C 13 33.0 . . 1 . . . . . . . . 4186 1 697 . 1 1 81 81 CYS H H 1 8.87 . . 1 . . . . . . . . 4186 1 698 . 1 1 81 81 CYS HA H 1 5.05 . . 1 . . . . . . . . 4186 1 699 . 1 1 81 81 CYS HB2 H 1 2.58 . . 1 . . . . . . . . 4186 1 700 . 1 1 81 81 CYS HB3 H 1 2.58 . . 1 . . . . . . . . 4186 1 701 . 1 1 81 81 CYS C C 13 168.5 . . 1 . . . . . . . . 4186 1 702 . 1 1 81 81 CYS CA C 13 55.9 . . 1 . . . . . . . . 4186 1 703 . 1 1 81 81 CYS CB C 13 31.6 . . 1 . . . . . . . . 4186 1 704 . 1 1 81 81 CYS N N 15 118.8 . . 1 . . . . . . . . 4186 1 705 . 1 1 82 82 LYS H H 1 8.87 . . 1 . . . . . . . . 4186 1 706 . 1 1 82 82 LYS HA H 1 4.73 . . 1 . . . . . . . . 4186 1 707 . 1 1 82 82 LYS HB2 H 1 1.54 . . 2 . . . . . . . . 4186 1 708 . 1 1 82 82 LYS HB3 H 1 1.47 . . 2 . . . . . . . . 4186 1 709 . 1 1 82 82 LYS HG2 H 1 1.26 . . 2 . . . . . . . . 4186 1 710 . 1 1 82 82 LYS HG3 H 1 1.22 . . 2 . . . . . . . . 4186 1 711 . 1 1 82 82 LYS HD2 H 1 1.03 . . 1 . . . . . . . . 4186 1 712 . 1 1 82 82 LYS HD3 H 1 1.03 . . 1 . . . . . . . . 4186 1 713 . 1 1 82 82 LYS C C 13 173.0 . . 1 . . . . . . . . 4186 1 714 . 1 1 82 82 LYS CA C 13 54.5 . . 1 . . . . . . . . 4186 1 715 . 1 1 82 82 LYS CB C 13 34.3 . . 1 . . . . . . . . 4186 1 716 . 1 1 82 82 LYS N N 15 120.0 . . 1 . . . . . . . . 4186 1 717 . 1 1 83 83 SER H H 1 9.06 . . 1 . . . . . . . . 4186 1 718 . 1 1 83 83 SER HA H 1 4.86 . . 1 . . . . . . . . 4186 1 719 . 1 1 83 83 SER HB2 H 1 2.78 . . 2 . . . . . . . . 4186 1 720 . 1 1 83 83 SER HB3 H 1 1.54 . . 2 . . . . . . . . 4186 1 721 . 1 1 83 83 SER C C 13 168.7 . . 1 . . . . . . . . 4186 1 722 . 1 1 83 83 SER CA C 13 58.7 . . 1 . . . . . . . . 4186 1 723 . 1 1 83 83 SER CB C 13 68.0 . . 1 . . . . . . . . 4186 1 724 . 1 1 83 83 SER N N 15 124.9 . . 1 . . . . . . . . 4186 1 725 . 1 1 84 84 LEU H H 1 7.36 . . 1 . . . . . . . . 4186 1 726 . 1 1 84 84 LEU HA H 1 4.23 . . 1 . . . . . . . . 4186 1 727 . 1 1 84 84 LEU HB2 H 1 2.00 . . 2 . . . . . . . . 4186 1 728 . 1 1 84 84 LEU HB3 H 1 1.58 . . 2 . . . . . . . . 4186 1 729 . 1 1 84 84 LEU HG H 1 1.17 . . 1 . . . . . . . . 4186 1 730 . 1 1 84 84 LEU HD11 H 1 0.68 . . 2 . . . . . . . . 4186 1 731 . 1 1 84 84 LEU HD12 H 1 0.68 . . 2 . . . . . . . . 4186 1 732 . 1 1 84 84 LEU HD13 H 1 0.68 . . 2 . . . . . . . . 4186 1 733 . 1 1 84 84 LEU HD21 H 1 0.51 . . 2 . . . . . . . . 4186 1 734 . 1 1 84 84 LEU HD22 H 1 0.51 . . 2 . . . . . . . . 4186 1 735 . 1 1 84 84 LEU HD23 H 1 0.51 . . 2 . . . . . . . . 4186 1 736 . 1 1 84 84 LEU C C 13 173.7 . . 1 . . . . . . . . 4186 1 737 . 1 1 84 84 LEU CA C 13 54.9 . . 1 . . . . . . . . 4186 1 738 . 1 1 84 84 LEU CB C 13 45.2 . . 1 . . . . . . . . 4186 1 739 . 1 1 84 84 LEU N N 15 120.7 . . 1 . . . . . . . . 4186 1 740 . 1 1 85 85 VAL H H 1 9.20 . . 1 . . . . . . . . 4186 1 741 . 1 1 85 85 VAL HA H 1 4.35 . . 1 . . . . . . . . 4186 1 742 . 1 1 85 85 VAL HB H 1 1.35 . . 1 . . . . . . . . 4186 1 743 . 1 1 85 85 VAL HG11 H 1 0.23 . . 2 . . . . . . . . 4186 1 744 . 1 1 85 85 VAL HG12 H 1 0.23 . . 2 . . . . . . . . 4186 1 745 . 1 1 85 85 VAL HG13 H 1 0.23 . . 2 . . . . . . . . 4186 1 746 . 1 1 85 85 VAL HG21 H 1 0.02 . . 2 . . . . . . . . 4186 1 747 . 1 1 85 85 VAL HG22 H 1 0.02 . . 2 . . . . . . . . 4186 1 748 . 1 1 85 85 VAL HG23 H 1 0.02 . . 2 . . . . . . . . 4186 1 749 . 1 1 85 85 VAL C C 13 171.5 . . 1 . . . . . . . . 4186 1 750 . 1 1 85 85 VAL CA C 13 60.6 . . 1 . . . . . . . . 4186 1 751 . 1 1 85 85 VAL CB C 13 32.6 . . 1 . . . . . . . . 4186 1 752 . 1 1 85 85 VAL N N 15 130.1 . . 1 . . . . . . . . 4186 1 753 . 1 1 86 86 LYS H H 1 8.47 . . 1 . . . . . . . . 4186 1 754 . 1 1 86 86 LYS HA H 1 4.48 . . 1 . . . . . . . . 4186 1 755 . 1 1 86 86 LYS HB2 H 1 1.61 . . 2 . . . . . . . . 4186 1 756 . 1 1 86 86 LYS HB3 H 1 1.43 . . 2 . . . . . . . . 4186 1 757 . 1 1 86 86 LYS HG2 H 1 1.26 . . 2 . . . . . . . . 4186 1 758 . 1 1 86 86 LYS HG3 H 1 1.12 . . 2 . . . . . . . . 4186 1 759 . 1 1 86 86 LYS C C 13 173.3 . . 1 . . . . . . . . 4186 1 760 . 1 1 86 86 LYS CA C 13 54.2 . . 1 . . . . . . . . 4186 1 761 . 1 1 86 86 LYS CB C 13 36.9 . . 1 . . . . . . . . 4186 1 762 . 1 1 86 86 LYS N N 15 123.8 . . 1 . . . . . . . . 4186 1 763 . 1 1 87 87 TRP H H 1 8.65 . . 1 . . . . . . . . 4186 1 764 . 1 1 87 87 TRP HA H 1 5.11 . . 1 . . . . . . . . 4186 1 765 . 1 1 87 87 TRP HB2 H 1 3.22 . . 2 . . . . . . . . 4186 1 766 . 1 1 87 87 TRP HB3 H 1 2.99 . . 2 . . . . . . . . 4186 1 767 . 1 1 87 87 TRP C C 13 174.9 . . 1 . . . . . . . . 4186 1 768 . 1 1 87 87 TRP CA C 13 57.0 . . 1 . . . . . . . . 4186 1 769 . 1 1 87 87 TRP CB C 13 29.5 . . 1 . . . . . . . . 4186 1 770 . 1 1 87 87 TRP N N 15 120.2 . . 1 . . . . . . . . 4186 1 771 . 1 1 88 88 GLU H H 1 9.21 . . 1 . . . . . . . . 4186 1 772 . 1 1 88 88 GLU HA H 1 4.35 . . 1 . . . . . . . . 4186 1 773 . 1 1 88 88 GLU HB2 H 1 1.80 . . 2 . . . . . . . . 4186 1 774 . 1 1 88 88 GLU HB3 H 1 1.66 . . 2 . . . . . . . . 4186 1 775 . 1 1 88 88 GLU HG2 H 1 1.99 . . 1 . . . . . . . . 4186 1 776 . 1 1 88 88 GLU HG3 H 1 1.99 . . 1 . . . . . . . . 4186 1 777 . 1 1 88 88 GLU C C 13 173.3 . . 1 . . . . . . . . 4186 1 778 . 1 1 88 88 GLU CA C 13 58.0 . . 1 . . . . . . . . 4186 1 779 . 1 1 88 88 GLU CB C 13 32.3 . . 1 . . . . . . . . 4186 1 780 . 1 1 88 88 GLU N N 15 127.7 . . 1 . . . . . . . . 4186 1 781 . 1 1 89 89 SER H H 1 8.59 . . 1 . . . . . . . . 4186 1 782 . 1 1 89 89 SER HA H 1 4.55 . . 1 . . . . . . . . 4186 1 783 . 1 1 89 89 SER HB2 H 1 4.11 . . 2 . . . . . . . . 4186 1 784 . 1 1 89 89 SER HB3 H 1 3.98 . . 2 . . . . . . . . 4186 1 785 . 1 1 89 89 SER C C 13 171.2 . . 1 . . . . . . . . 4186 1 786 . 1 1 89 89 SER CA C 13 57.0 . . 1 . . . . . . . . 4186 1 787 . 1 1 89 89 SER CB C 13 65.0 . . 1 . . . . . . . . 4186 1 788 . 1 1 89 89 SER N N 15 112.5 . . 1 . . . . . . . . 4186 1 789 . 1 1 90 90 GLU H H 1 8.71 . . 1 . . . . . . . . 4186 1 790 . 1 1 90 90 GLU HA H 1 3.66 . . 1 . . . . . . . . 4186 1 791 . 1 1 90 90 GLU HB2 H 1 1.84 . . 2 . . . . . . . . 4186 1 792 . 1 1 90 90 GLU HB3 H 1 1.78 . . 2 . . . . . . . . 4186 1 793 . 1 1 90 90 GLU HG2 H 1 2.08 . . 1 . . . . . . . . 4186 1 794 . 1 1 90 90 GLU HG3 H 1 2.08 . . 1 . . . . . . . . 4186 1 795 . 1 1 90 90 GLU C C 13 173.1 . . 1 . . . . . . . . 4186 1 796 . 1 1 90 90 GLU CA C 13 59.1 . . 1 . . . . . . . . 4186 1 797 . 1 1 90 90 GLU CB C 13 29.5 . . 1 . . . . . . . . 4186 1 798 . 1 1 90 90 GLU N N 15 116.7 . . 1 . . . . . . . . 4186 1 799 . 1 1 91 91 ASN H H 1 8.05 . . 1 . . . . . . . . 4186 1 800 . 1 1 91 91 ASN HA H 1 4.96 . . 1 . . . . . . . . 4186 1 801 . 1 1 91 91 ASN HB2 H 1 3.15 . . 2 . . . . . . . . 4186 1 802 . 1 1 91 91 ASN HB3 H 1 2.85 . . 2 . . . . . . . . 4186 1 803 . 1 1 91 91 ASN C C 13 171.3 . . 1 . . . . . . . . 4186 1 804 . 1 1 91 91 ASN CA C 13 52.9 . . 1 . . . . . . . . 4186 1 805 . 1 1 91 91 ASN CB C 13 40.4 . . 1 . . . . . . . . 4186 1 806 . 1 1 91 91 ASN N N 15 111.2 . . 1 . . . . . . . . 4186 1 807 . 1 1 92 92 LYS H H 1 7.84 . . 1 . . . . . . . . 4186 1 808 . 1 1 92 92 LYS HA H 1 5.46 . . 1 . . . . . . . . 4186 1 809 . 1 1 92 92 LYS HB2 H 1 1.98 . . 2 . . . . . . . . 4186 1 810 . 1 1 92 92 LYS HB3 H 1 1.47 . . 2 . . . . . . . . 4186 1 811 . 1 1 92 92 LYS HG2 H 1 1.22 . . 1 . . . . . . . . 4186 1 812 . 1 1 92 92 LYS HG3 H 1 1.22 . . 1 . . . . . . . . 4186 1 813 . 1 1 92 92 LYS HD2 H 1 1.10 . . 1 . . . . . . . . 4186 1 814 . 1 1 92 92 LYS HD3 H 1 1.10 . . 1 . . . . . . . . 4186 1 815 . 1 1 92 92 LYS HE2 H 1 2.68 . . 1 . . . . . . . . 4186 1 816 . 1 1 92 92 LYS HE3 H 1 2.68 . . 1 . . . . . . . . 4186 1 817 . 1 1 92 92 LYS C C 13 171.0 . . 1 . . . . . . . . 4186 1 818 . 1 1 92 92 LYS CA C 13 56.7 . . 1 . . . . . . . . 4186 1 819 . 1 1 92 92 LYS CB C 13 37.2 . . 1 . . . . . . . . 4186 1 820 . 1 1 92 92 LYS N N 15 120.1 . . 1 . . . . . . . . 4186 1 821 . 1 1 93 93 MET H H 1 9.35 . . 1 . . . . . . . . 4186 1 822 . 1 1 93 93 MET HA H 1 5.18 . . 1 . . . . . . . . 4186 1 823 . 1 1 93 93 MET HB2 H 1 1.99 . . 1 . . . . . . . . 4186 1 824 . 1 1 93 93 MET HB3 H 1 1.99 . . 1 . . . . . . . . 4186 1 825 . 1 1 93 93 MET HG2 H 1 2.19 . . 2 . . . . . . . . 4186 1 826 . 1 1 93 93 MET HG3 H 1 2.08 . . 2 . . . . . . . . 4186 1 827 . 1 1 93 93 MET HE1 H 1 0.41 . . 1 . . . . . . . . 4186 1 828 . 1 1 93 93 MET HE2 H 1 0.41 . . 1 . . . . . . . . 4186 1 829 . 1 1 93 93 MET HE3 H 1 0.41 . . 1 . . . . . . . . 4186 1 830 . 1 1 93 93 MET C C 13 171.0 . . 1 . . . . . . . . 4186 1 831 . 1 1 93 93 MET CA C 13 53.4 . . 1 . . . . . . . . 4186 1 832 . 1 1 93 93 MET CB C 13 35.1 . . 1 . . . . . . . . 4186 1 833 . 1 1 93 93 MET N N 15 127.0 . . 1 . . . . . . . . 4186 1 834 . 1 1 94 94 VAL H H 1 8.86 . . 1 . . . . . . . . 4186 1 835 . 1 1 94 94 VAL HA H 1 4.30 . . 1 . . . . . . . . 4186 1 836 . 1 1 94 94 VAL HB H 1 1.77 . . 1 . . . . . . . . 4186 1 837 . 1 1 94 94 VAL HG11 H 1 0.73 . . 2 . . . . . . . . 4186 1 838 . 1 1 94 94 VAL HG12 H 1 0.73 . . 2 . . . . . . . . 4186 1 839 . 1 1 94 94 VAL HG13 H 1 0.73 . . 2 . . . . . . . . 4186 1 840 . 1 1 94 94 VAL HG21 H 1 0.70 . . 2 . . . . . . . . 4186 1 841 . 1 1 94 94 VAL HG22 H 1 0.70 . . 2 . . . . . . . . 4186 1 842 . 1 1 94 94 VAL HG23 H 1 0.70 . . 2 . . . . . . . . 4186 1 843 . 1 1 94 94 VAL C C 13 170.0 . . 1 . . . . . . . . 4186 1 844 . 1 1 94 94 VAL CA C 13 60.3 . . 1 . . . . . . . . 4186 1 845 . 1 1 94 94 VAL CB C 13 34.9 . . 1 . . . . . . . . 4186 1 846 . 1 1 94 94 VAL N N 15 119.3 . . 1 . . . . . . . . 4186 1 847 . 1 1 95 95 CYS H H 1 8.85 . . 1 . . . . . . . . 4186 1 848 . 1 1 95 95 CYS HA H 1 4.48 . . 1 . . . . . . . . 4186 1 849 . 1 1 95 95 CYS HB2 H 1 0.36 . . 2 . . . . . . . . 4186 1 850 . 1 1 95 95 CYS HB3 H 1 -0.28 . . 2 . . . . . . . . 4186 1 851 . 1 1 95 95 CYS C C 13 171.4 . . 1 . . . . . . . . 4186 1 852 . 1 1 95 95 CYS CA C 13 55.6 . . 1 . . . . . . . . 4186 1 853 . 1 1 95 95 CYS CB C 13 27.9 . . 1 . . . . . . . . 4186 1 854 . 1 1 95 95 CYS N N 15 127.3 . . 1 . . . . . . . . 4186 1 855 . 1 1 96 96 GLU H H 1 7.70 . . 1 . . . . . . . . 4186 1 856 . 1 1 96 96 GLU HA H 1 4.31 . . 1 . . . . . . . . 4186 1 857 . 1 1 96 96 GLU HB2 H 1 1.81 . . 2 . . . . . . . . 4186 1 858 . 1 1 96 96 GLU HB3 H 1 1.73 . . 2 . . . . . . . . 4186 1 859 . 1 1 96 96 GLU HG2 H 1 2.14 . . 2 . . . . . . . . 4186 1 860 . 1 1 96 96 GLU HG3 H 1 1.95 . . 2 . . . . . . . . 4186 1 861 . 1 1 96 96 GLU C C 13 172.6 . . 1 . . . . . . . . 4186 1 862 . 1 1 96 96 GLU CA C 13 55.2 . . 1 . . . . . . . . 4186 1 863 . 1 1 96 96 GLU CB C 13 31.6 . . 1 . . . . . . . . 4186 1 864 . 1 1 96 96 GLU N N 15 127.7 . . 1 . . . . . . . . 4186 1 865 . 1 1 97 97 GLN H H 1 7.43 . . 1 . . . . . . . . 4186 1 866 . 1 1 97 97 GLN HA H 1 4.91 . . 1 . . . . . . . . 4186 1 867 . 1 1 97 97 GLN HB2 H 1 1.75 . . 1 . . . . . . . . 4186 1 868 . 1 1 97 97 GLN HB3 H 1 1.75 . . 1 . . . . . . . . 4186 1 869 . 1 1 97 97 GLN HG2 H 1 2.43 . . 2 . . . . . . . . 4186 1 870 . 1 1 97 97 GLN HG3 H 1 2.02 . . 2 . . . . . . . . 4186 1 871 . 1 1 97 97 GLN C C 13 173.1 . . 1 . . . . . . . . 4186 1 872 . 1 1 97 97 GLN CA C 13 54.7 . . 1 . . . . . . . . 4186 1 873 . 1 1 97 97 GLN CB C 13 30.8 . . 1 . . . . . . . . 4186 1 874 . 1 1 97 97 GLN N N 15 121.0 . . 1 . . . . . . . . 4186 1 875 . 1 1 98 98 LYS H H 1 8.94 . . 1 . . . . . . . . 4186 1 876 . 1 1 98 98 LYS HA H 1 4.60 . . 1 . . . . . . . . 4186 1 877 . 1 1 98 98 LYS HB2 H 1 2.10 . . 1 . . . . . . . . 4186 1 878 . 1 1 98 98 LYS HB3 H 1 2.10 . . 1 . . . . . . . . 4186 1 879 . 1 1 98 98 LYS HG2 H 1 1.96 . . 2 . . . . . . . . 4186 1 880 . 1 1 98 98 LYS HG3 H 1 1.78 . . 2 . . . . . . . . 4186 1 881 . 1 1 98 98 LYS HD2 H 1 1.24 . . 1 . . . . . . . . 4186 1 882 . 1 1 98 98 LYS HD3 H 1 1.24 . . 1 . . . . . . . . 4186 1 883 . 1 1 98 98 LYS HE2 H 1 3.16 . . 2 . . . . . . . . 4186 1 884 . 1 1 98 98 LYS HE3 H 1 2.84 . . 2 . . . . . . . . 4186 1 885 . 1 1 98 98 LYS C C 13 172.9 . . 1 . . . . . . . . 4186 1 886 . 1 1 98 98 LYS CA C 13 54.7 . . 1 . . . . . . . . 4186 1 887 . 1 1 98 98 LYS CB C 13 35.0 . . 1 . . . . . . . . 4186 1 888 . 1 1 98 98 LYS N N 15 123.1 . . 1 . . . . . . . . 4186 1 889 . 1 1 99 99 LEU H H 1 8.78 . . 1 . . . . . . . . 4186 1 890 . 1 1 99 99 LEU HA H 1 4.00 . . 1 . . . . . . . . 4186 1 891 . 1 1 99 99 LEU HB2 H 1 1.98 . . 2 . . . . . . . . 4186 1 892 . 1 1 99 99 LEU HB3 H 1 1.63 . . 2 . . . . . . . . 4186 1 893 . 1 1 99 99 LEU HG H 1 1.36 . . 1 . . . . . . . . 4186 1 894 . 1 1 99 99 LEU HD11 H 1 0.86 . . 2 . . . . . . . . 4186 1 895 . 1 1 99 99 LEU HD12 H 1 0.86 . . 2 . . . . . . . . 4186 1 896 . 1 1 99 99 LEU HD13 H 1 0.86 . . 2 . . . . . . . . 4186 1 897 . 1 1 99 99 LEU HD21 H 1 0.65 . . 2 . . . . . . . . 4186 1 898 . 1 1 99 99 LEU HD22 H 1 0.65 . . 2 . . . . . . . . 4186 1 899 . 1 1 99 99 LEU HD23 H 1 0.65 . . 2 . . . . . . . . 4186 1 900 . 1 1 99 99 LEU C C 13 175.4 . . 1 . . . . . . . . 4186 1 901 . 1 1 99 99 LEU CA C 13 56.0 . . 1 . . . . . . . . 4186 1 902 . 1 1 99 99 LEU CB C 13 42.0 . . 1 . . . . . . . . 4186 1 903 . 1 1 99 99 LEU N N 15 126.1 . . 1 . . . . . . . . 4186 1 904 . 1 1 100 100 LEU H H 1 7.77 . . 1 . . . . . . . . 4186 1 905 . 1 1 100 100 LEU HA H 1 4.07 . . 1 . . . . . . . . 4186 1 906 . 1 1 100 100 LEU HB2 H 1 1.64 . . 2 . . . . . . . . 4186 1 907 . 1 1 100 100 LEU HB3 H 1 1.47 . . 2 . . . . . . . . 4186 1 908 . 1 1 100 100 LEU HG H 1 1.35 . . 1 . . . . . . . . 4186 1 909 . 1 1 100 100 LEU HD11 H 1 0.80 . . 2 . . . . . . . . 4186 1 910 . 1 1 100 100 LEU HD12 H 1 0.80 . . 2 . . . . . . . . 4186 1 911 . 1 1 100 100 LEU HD13 H 1 0.80 . . 2 . . . . . . . . 4186 1 912 . 1 1 100 100 LEU HD21 H 1 0.76 . . 2 . . . . . . . . 4186 1 913 . 1 1 100 100 LEU HD22 H 1 0.76 . . 2 . . . . . . . . 4186 1 914 . 1 1 100 100 LEU HD23 H 1 0.76 . . 2 . . . . . . . . 4186 1 915 . 1 1 100 100 LEU C C 13 174.8 . . 1 . . . . . . . . 4186 1 916 . 1 1 100 100 LEU CA C 13 57.0 . . 1 . . . . . . . . 4186 1 917 . 1 1 100 100 LEU CB C 13 42.5 . . 1 . . . . . . . . 4186 1 918 . 1 1 100 100 LEU N N 15 121.9 . . 1 . . . . . . . . 4186 1 919 . 1 1 101 101 LYS H H 1 8.05 . . 1 . . . . . . . . 4186 1 920 . 1 1 101 101 LYS HA H 1 4.37 . . 1 . . . . . . . . 4186 1 921 . 1 1 101 101 LYS HB2 H 1 1.72 . . 2 . . . . . . . . 4186 1 922 . 1 1 101 101 LYS HB3 H 1 1.61 . . 2 . . . . . . . . 4186 1 923 . 1 1 101 101 LYS HG2 H 1 1.37 . . 2 . . . . . . . . 4186 1 924 . 1 1 101 101 LYS HG3 H 1 1.27 . . 2 . . . . . . . . 4186 1 925 . 1 1 101 101 LYS C C 13 172.7 . . 1 . . . . . . . . 4186 1 926 . 1 1 101 101 LYS CA C 13 55.4 . . 1 . . . . . . . . 4186 1 927 . 1 1 101 101 LYS CB C 13 34.9 . . 1 . . . . . . . . 4186 1 928 . 1 1 101 101 LYS N N 15 117.4 . . 1 . . . . . . . . 4186 1 929 . 1 1 102 102 GLY H H 1 8.18 . . 1 . . . . . . . . 4186 1 930 . 1 1 102 102 GLY HA2 H 1 4.02 . . 2 . . . . . . . . 4186 1 931 . 1 1 102 102 GLY HA3 H 1 3.71 . . 2 . . . . . . . . 4186 1 932 . 1 1 102 102 GLY C C 13 169.7 . . 1 . . . . . . . . 4186 1 933 . 1 1 102 102 GLY CA C 13 45.1 . . 1 . . . . . . . . 4186 1 934 . 1 1 102 102 GLY N N 15 108.6 . . 1 . . . . . . . . 4186 1 935 . 1 1 103 103 GLU H H 1 8.10 . . 1 . . . . . . . . 4186 1 936 . 1 1 103 103 GLU C C 13 173.1 . . 1 . . . . . . . . 4186 1 937 . 1 1 103 103 GLU N N 15 117.2 . . 1 . . . . . . . . 4186 1 938 . 1 1 104 104 GLY H H 1 8.14 . . 1 . . . . . . . . 4186 1 939 . 1 1 104 104 GLY HA2 H 1 4.10 . . 2 . . . . . . . . 4186 1 940 . 1 1 104 104 GLY HA3 H 1 3.90 . . 2 . . . . . . . . 4186 1 941 . 1 1 104 104 GLY CA C 13 45.5 . . 1 . . . . . . . . 4186 1 942 . 1 1 104 104 GLY N N 15 109.1 . . 1 . . . . . . . . 4186 1 943 . 1 1 105 105 PRO HA H 1 4.48 . . 1 . . . . . . . . 4186 1 944 . 1 1 105 105 PRO HB2 H 1 2.03 . . 2 . . . . . . . . 4186 1 945 . 1 1 105 105 PRO HB3 H 1 1.33 . . 2 . . . . . . . . 4186 1 946 . 1 1 105 105 PRO HG2 H 1 1.84 . . 2 . . . . . . . . 4186 1 947 . 1 1 105 105 PRO HG3 H 1 1.76 . . 2 . . . . . . . . 4186 1 948 . 1 1 105 105 PRO HD2 H 1 3.60 . . 2 . . . . . . . . 4186 1 949 . 1 1 105 105 PRO HD3 H 1 3.29 . . 2 . . . . . . . . 4186 1 950 . 1 1 105 105 PRO C C 13 172.8 . . 1 . . . . . . . . 4186 1 951 . 1 1 105 105 PRO CA C 13 62.7 . . 1 . . . . . . . . 4186 1 952 . 1 1 105 105 PRO CB C 13 32.7 . . 1 . . . . . . . . 4186 1 953 . 1 1 106 106 LYS H H 1 8.58 . . 1 . . . . . . . . 4186 1 954 . 1 1 106 106 LYS HA H 1 4.38 . . 1 . . . . . . . . 4186 1 955 . 1 1 106 106 LYS HB2 H 1 1.81 . . 2 . . . . . . . . 4186 1 956 . 1 1 106 106 LYS HB3 H 1 1.51 . . 2 . . . . . . . . 4186 1 957 . 1 1 106 106 LYS HG2 H 1 1.35 . . 2 . . . . . . . . 4186 1 958 . 1 1 106 106 LYS HG3 H 1 1.30 . . 2 . . . . . . . . 4186 1 959 . 1 1 106 106 LYS C C 13 175.1 . . 1 . . . . . . . . 4186 1 960 . 1 1 106 106 LYS CA C 13 56.6 . . 1 . . . . . . . . 4186 1 961 . 1 1 106 106 LYS CB C 13 32.6 . . 1 . . . . . . . . 4186 1 962 . 1 1 106 106 LYS N N 15 123.5 . . 1 . . . . . . . . 4186 1 963 . 1 1 107 107 THR H H 1 8.79 . . 1 . . . . . . . . 4186 1 964 . 1 1 107 107 THR HA H 1 5.36 . . 1 . . . . . . . . 4186 1 965 . 1 1 107 107 THR HB H 1 4.46 . . 1 . . . . . . . . 4186 1 966 . 1 1 107 107 THR HG21 H 1 1.13 . . 1 . . . . . . . . 4186 1 967 . 1 1 107 107 THR HG22 H 1 1.13 . . 1 . . . . . . . . 4186 1 968 . 1 1 107 107 THR HG23 H 1 1.13 . . 1 . . . . . . . . 4186 1 969 . 1 1 107 107 THR C C 13 170.8 . . 1 . . . . . . . . 4186 1 970 . 1 1 107 107 THR CA C 13 60.1 . . 1 . . . . . . . . 4186 1 971 . 1 1 107 107 THR CB C 13 72.5 . . 1 . . . . . . . . 4186 1 972 . 1 1 107 107 THR N N 15 118.7 . . 1 . . . . . . . . 4186 1 973 . 1 1 108 108 SER H H 1 7.80 . . 1 . . . . . . . . 4186 1 974 . 1 1 108 108 SER HA H 1 4.63 . . 1 . . . . . . . . 4186 1 975 . 1 1 108 108 SER HB2 H 1 3.86 . . 2 . . . . . . . . 4186 1 976 . 1 1 108 108 SER HB3 H 1 3.78 . . 2 . . . . . . . . 4186 1 977 . 1 1 108 108 SER C C 13 171.2 . . 1 . . . . . . . . 4186 1 978 . 1 1 108 108 SER CA C 13 57.3 . . 1 . . . . . . . . 4186 1 979 . 1 1 108 108 SER CB C 13 66.8 . . 1 . . . . . . . . 4186 1 980 . 1 1 108 108 SER N N 15 112.3 . . 1 . . . . . . . . 4186 1 981 . 1 1 109 109 TRP H H 1 8.21 . . 1 . . . . . . . . 4186 1 982 . 1 1 109 109 TRP HA H 1 5.76 . . 1 . . . . . . . . 4186 1 983 . 1 1 109 109 TRP HB2 H 1 3.48 . . 2 . . . . . . . . 4186 1 984 . 1 1 109 109 TRP HB3 H 1 3.29 . . 2 . . . . . . . . 4186 1 985 . 1 1 109 109 TRP C C 13 171.8 . . 1 . . . . . . . . 4186 1 986 . 1 1 109 109 TRP CA C 13 56.1 . . 1 . . . . . . . . 4186 1 987 . 1 1 109 109 TRP CB C 13 33.1 . . 1 . . . . . . . . 4186 1 988 . 1 1 109 109 TRP N N 15 116.3 . . 1 . . . . . . . . 4186 1 989 . 1 1 110 110 THR H H 1 9.56 . . 1 . . . . . . . . 4186 1 990 . 1 1 110 110 THR HA H 1 5.24 . . 1 . . . . . . . . 4186 1 991 . 1 1 110 110 THR HB H 1 4.16 . . 1 . . . . . . . . 4186 1 992 . 1 1 110 110 THR HG21 H 1 1.09 . . 1 . . . . . . . . 4186 1 993 . 1 1 110 110 THR HG22 H 1 1.09 . . 1 . . . . . . . . 4186 1 994 . 1 1 110 110 THR HG23 H 1 1.09 . . 1 . . . . . . . . 4186 1 995 . 1 1 110 110 THR C C 13 171.7 . . 1 . . . . . . . . 4186 1 996 . 1 1 110 110 THR CA C 13 61.0 . . 1 . . . . . . . . 4186 1 997 . 1 1 110 110 THR CB C 13 72.2 . . 1 . . . . . . . . 4186 1 998 . 1 1 110 110 THR N N 15 111.2 . . 1 . . . . . . . . 4186 1 999 . 1 1 111 111 ARG H H 1 8.79 . . 1 . . . . . . . . 4186 1 1000 . 1 1 111 111 ARG HA H 1 5.57 . . 1 . . . . . . . . 4186 1 1001 . 1 1 111 111 ARG HB2 H 1 1.85 . . 2 . . . . . . . . 4186 1 1002 . 1 1 111 111 ARG HB3 H 1 1.50 . . 2 . . . . . . . . 4186 1 1003 . 1 1 111 111 ARG HG2 H 1 1.35 . . 2 . . . . . . . . 4186 1 1004 . 1 1 111 111 ARG HG3 H 1 1.23 . . 2 . . . . . . . . 4186 1 1005 . 1 1 111 111 ARG HD2 H 1 3.00 . . 1 . . . . . . . . 4186 1 1006 . 1 1 111 111 ARG HD3 H 1 3.00 . . 1 . . . . . . . . 4186 1 1007 . 1 1 111 111 ARG C C 13 170.9 . . 1 . . . . . . . . 4186 1 1008 . 1 1 111 111 ARG CA C 13 56.1 . . 1 . . . . . . . . 4186 1 1009 . 1 1 111 111 ARG CB C 13 33.1 . . 1 . . . . . . . . 4186 1 1010 . 1 1 111 111 ARG N N 15 120.1 . . 1 . . . . . . . . 4186 1 1011 . 1 1 112 112 GLU H H 1 8.87 . . 1 . . . . . . . . 4186 1 1012 . 1 1 112 112 GLU HA H 1 5.78 . . 1 . . . . . . . . 4186 1 1013 . 1 1 112 112 GLU HB2 H 1 1.94 . . 1 . . . . . . . . 4186 1 1014 . 1 1 112 112 GLU HB3 H 1 1.94 . . 1 . . . . . . . . 4186 1 1015 . 1 1 112 112 GLU HG2 H 1 2.03 . . 1 . . . . . . . . 4186 1 1016 . 1 1 112 112 GLU HG3 H 1 2.03 . . 1 . . . . . . . . 4186 1 1017 . 1 1 112 112 GLU C C 13 170.5 . . 1 . . . . . . . . 4186 1 1018 . 1 1 112 112 GLU CA C 13 53.9 . . 1 . . . . . . . . 4186 1 1019 . 1 1 112 112 GLU CB C 13 34.9 . . 1 . . . . . . . . 4186 1 1020 . 1 1 112 112 GLU N N 15 123.3 . . 1 . . . . . . . . 4186 1 1021 . 1 1 113 113 LEU H H 1 8.25 . . 1 . . . . . . . . 4186 1 1022 . 1 1 113 113 LEU HA H 1 5.28 . . 1 . . . . . . . . 4186 1 1023 . 1 1 113 113 LEU HB2 H 1 1.25 . . 1 . . . . . . . . 4186 1 1024 . 1 1 113 113 LEU HB3 H 1 1.25 . . 1 . . . . . . . . 4186 1 1025 . 1 1 113 113 LEU HG H 1 0.94 . . 1 . . . . . . . . 4186 1 1026 . 1 1 113 113 LEU HD11 H 1 0.51 . . 2 . . . . . . . . 4186 1 1027 . 1 1 113 113 LEU HD12 H 1 0.51 . . 2 . . . . . . . . 4186 1 1028 . 1 1 113 113 LEU HD13 H 1 0.51 . . 2 . . . . . . . . 4186 1 1029 . 1 1 113 113 LEU HD21 H 1 0.44 . . 2 . . . . . . . . 4186 1 1030 . 1 1 113 113 LEU HD22 H 1 0.44 . . 2 . . . . . . . . 4186 1 1031 . 1 1 113 113 LEU HD23 H 1 0.44 . . 2 . . . . . . . . 4186 1 1032 . 1 1 113 113 LEU C C 13 175.1 . . 1 . . . . . . . . 4186 1 1033 . 1 1 113 113 LEU CA C 13 52.8 . . 1 . . . . . . . . 4186 1 1034 . 1 1 113 113 LEU CB C 13 43.9 . . 1 . . . . . . . . 4186 1 1035 . 1 1 113 113 LEU N N 15 126.4 . . 1 . . . . . . . . 4186 1 1036 . 1 1 114 114 THR H H 1 9.35 . . 1 . . . . . . . . 4186 1 1037 . 1 1 114 114 THR HA H 1 4.76 . . 1 . . . . . . . . 4186 1 1038 . 1 1 114 114 THR HB H 1 4.70 . . 1 . . . . . . . . 4186 1 1039 . 1 1 114 114 THR HG21 H 1 1.25 . . 1 . . . . . . . . 4186 1 1040 . 1 1 114 114 THR HG22 H 1 1.25 . . 1 . . . . . . . . 4186 1 1041 . 1 1 114 114 THR HG23 H 1 1.25 . . 1 . . . . . . . . 4186 1 1042 . 1 1 114 114 THR N N 15 116.9 . . 1 . . . . . . . . 4186 1 1043 . 1 1 115 115 ASN HA H 1 4.44 . . 1 . . . . . . . . 4186 1 1044 . 1 1 115 115 ASN HB2 H 1 2.79 . . 2 . . . . . . . . 4186 1 1045 . 1 1 115 115 ASN HB3 H 1 2.76 . . 2 . . . . . . . . 4186 1 1046 . 1 1 115 115 ASN C C 13 173.1 . . 1 . . . . . . . . 4186 1 1047 . 1 1 115 115 ASN CA C 13 55.5 . . 1 . . . . . . . . 4186 1 1048 . 1 1 115 115 ASN CB C 13 38.1 . . 1 . . . . . . . . 4186 1 1049 . 1 1 116 116 ASP H H 1 7.75 . . 1 . . . . . . . . 4186 1 1050 . 1 1 116 116 ASP HA H 1 4.74 . . 1 . . . . . . . . 4186 1 1051 . 1 1 116 116 ASP HB2 H 1 2.79 . . 2 . . . . . . . . 4186 1 1052 . 1 1 116 116 ASP HB3 H 1 2.39 . . 2 . . . . . . . . 4186 1 1053 . 1 1 116 116 ASP C C 13 173.5 . . 1 . . . . . . . . 4186 1 1054 . 1 1 116 116 ASP CA C 13 54.3 . . 1 . . . . . . . . 4186 1 1055 . 1 1 116 116 ASP CB C 13 41.2 . . 1 . . . . . . . . 4186 1 1056 . 1 1 116 116 ASP N N 15 115.7 . . 1 . . . . . . . . 4186 1 1057 . 1 1 117 117 GLY H H 1 7.96 . . 1 . . . . . . . . 4186 1 1058 . 1 1 117 117 GLY HA2 H 1 4.17 . . 2 . . . . . . . . 4186 1 1059 . 1 1 117 117 GLY HA3 H 1 3.69 . . 2 . . . . . . . . 4186 1 1060 . 1 1 117 117 GLY C C 13 171.7 . . 1 . . . . . . . . 4186 1 1061 . 1 1 117 117 GLY CA C 13 46.1 . . 1 . . . . . . . . 4186 1 1062 . 1 1 117 117 GLY N N 15 107.6 . . 1 . . . . . . . . 4186 1 1063 . 1 1 118 118 GLU H H 1 7.43 . . 1 . . . . . . . . 4186 1 1064 . 1 1 118 118 GLU HA H 1 4.98 . . 1 . . . . . . . . 4186 1 1065 . 1 1 118 118 GLU HB2 H 1 2.02 . . 2 . . . . . . . . 4186 1 1066 . 1 1 118 118 GLU HB3 H 1 1.98 . . 2 . . . . . . . . 4186 1 1067 . 1 1 118 118 GLU C C 13 172.0 . . 1 . . . . . . . . 4186 1 1068 . 1 1 118 118 GLU N N 15 117.5 . . 1 . . . . . . . . 4186 1 1069 . 1 1 119 119 LEU H H 1 8.73 . . 1 . . . . . . . . 4186 1 1070 . 1 1 119 119 LEU HA H 1 5.08 . . 1 . . . . . . . . 4186 1 1071 . 1 1 119 119 LEU HB2 H 1 0.89 . . 1 . . . . . . . . 4186 1 1072 . 1 1 119 119 LEU HB3 H 1 0.89 . . 1 . . . . . . . . 4186 1 1073 . 1 1 119 119 LEU HG H 1 0.44 . . 1 . . . . . . . . 4186 1 1074 . 1 1 119 119 LEU HD11 H 1 0.18 . . 2 . . . . . . . . 4186 1 1075 . 1 1 119 119 LEU HD12 H 1 0.18 . . 2 . . . . . . . . 4186 1 1076 . 1 1 119 119 LEU HD13 H 1 0.18 . . 2 . . . . . . . . 4186 1 1077 . 1 1 119 119 LEU HD21 H 1 -0.36 . . 2 . . . . . . . . 4186 1 1078 . 1 1 119 119 LEU HD22 H 1 -0.36 . . 2 . . . . . . . . 4186 1 1079 . 1 1 119 119 LEU HD23 H 1 -0.36 . . 2 . . . . . . . . 4186 1 1080 . 1 1 119 119 LEU C C 13 172.6 . . 1 . . . . . . . . 4186 1 1081 . 1 1 119 119 LEU CA C 13 53.4 . . 1 . . . . . . . . 4186 1 1082 . 1 1 119 119 LEU CB C 13 43.3 . . 1 . . . . . . . . 4186 1 1083 . 1 1 119 119 LEU N N 15 124.6 . . 1 . . . . . . . . 4186 1 1084 . 1 1 120 120 ILE H H 1 9.47 . . 1 . . . . . . . . 4186 1 1085 . 1 1 120 120 ILE HA H 1 4.83 . . 1 . . . . . . . . 4186 1 1086 . 1 1 120 120 ILE HB H 1 1.77 . . 1 . . . . . . . . 4186 1 1087 . 1 1 120 120 ILE HG12 H 1 1.35 . . 1 . . . . . . . . 4186 1 1088 . 1 1 120 120 ILE HG13 H 1 1.35 . . 1 . . . . . . . . 4186 1 1089 . 1 1 120 120 ILE HG21 H 1 0.75 . . 1 . . . . . . . . 4186 1 1090 . 1 1 120 120 ILE HG22 H 1 0.75 . . 1 . . . . . . . . 4186 1 1091 . 1 1 120 120 ILE HG23 H 1 0.75 . . 1 . . . . . . . . 4186 1 1092 . 1 1 120 120 ILE HD11 H 1 0.99 . . 1 . . . . . . . . 4186 1 1093 . 1 1 120 120 ILE HD12 H 1 0.99 . . 1 . . . . . . . . 4186 1 1094 . 1 1 120 120 ILE HD13 H 1 0.99 . . 1 . . . . . . . . 4186 1 1095 . 1 1 120 120 ILE CA C 13 60.8 . . 1 . . . . . . . . 4186 1 1096 . 1 1 120 120 ILE CB C 13 39.4 . . 1 . . . . . . . . 4186 1 1097 . 1 1 120 120 ILE N N 15 125.2 . . 1 . . . . . . . . 4186 1 1098 . 1 1 121 121 LEU H H 1 9.88 . . 1 . . . . . . . . 4186 1 1099 . 1 1 121 121 LEU HA H 1 5.56 . . 1 . . . . . . . . 4186 1 1100 . 1 1 121 121 LEU HB2 H 1 2.15 . . 1 . . . . . . . . 4186 1 1101 . 1 1 121 121 LEU HB3 H 1 2.15 . . 1 . . . . . . . . 4186 1 1102 . 1 1 121 121 LEU HG H 1 1.22 . . 1 . . . . . . . . 4186 1 1103 . 1 1 121 121 LEU HD11 H 1 0.85 . . 2 . . . . . . . . 4186 1 1104 . 1 1 121 121 LEU HD12 H 1 0.85 . . 2 . . . . . . . . 4186 1 1105 . 1 1 121 121 LEU HD13 H 1 0.85 . . 2 . . . . . . . . 4186 1 1106 . 1 1 121 121 LEU HD21 H 1 0.74 . . 2 . . . . . . . . 4186 1 1107 . 1 1 121 121 LEU HD22 H 1 0.74 . . 2 . . . . . . . . 4186 1 1108 . 1 1 121 121 LEU HD23 H 1 0.74 . . 2 . . . . . . . . 4186 1 1109 . 1 1 121 121 LEU C C 13 172.8 . . 1 . . . . . . . . 4186 1 1110 . 1 1 121 121 LEU CA C 13 53.3 . . 1 . . . . . . . . 4186 1 1111 . 1 1 121 121 LEU CB C 13 45.3 . . 1 . . . . . . . . 4186 1 1112 . 1 1 121 121 LEU N N 15 135.5 . . 1 . . . . . . . . 4186 1 1113 . 1 1 122 122 THR H H 1 9.13 . . 1 . . . . . . . . 4186 1 1114 . 1 1 122 122 THR HA H 1 5.76 . . 1 . . . . . . . . 4186 1 1115 . 1 1 122 122 THR HB H 1 4.03 . . 1 . . . . . . . . 4186 1 1116 . 1 1 122 122 THR HG21 H 1 1.06 . . 1 . . . . . . . . 4186 1 1117 . 1 1 122 122 THR HG22 H 1 1.06 . . 1 . . . . . . . . 4186 1 1118 . 1 1 122 122 THR HG23 H 1 1.06 . . 1 . . . . . . . . 4186 1 1119 . 1 1 122 122 THR C C 13 171.4 . . 1 . . . . . . . . 4186 1 1120 . 1 1 122 122 THR CA C 13 60.4 . . 1 . . . . . . . . 4186 1 1121 . 1 1 122 122 THR CB C 13 71.0 . . 1 . . . . . . . . 4186 1 1122 . 1 1 122 122 THR N N 15 120.1 . . 1 . . . . . . . . 4186 1 1123 . 1 1 123 123 MET H H 1 9.29 . . 1 . . . . . . . . 4186 1 1124 . 1 1 123 123 MET HA H 1 5.14 . . 1 . . . . . . . . 4186 1 1125 . 1 1 123 123 MET HB2 H 1 1.84 . . 2 . . . . . . . . 4186 1 1126 . 1 1 123 123 MET HB3 H 1 1.81 . . 2 . . . . . . . . 4186 1 1127 . 1 1 123 123 MET HG2 H 1 2.55 . . 2 . . . . . . . . 4186 1 1128 . 1 1 123 123 MET HG3 H 1 2.28 . . 2 . . . . . . . . 4186 1 1129 . 1 1 123 123 MET C C 13 171.5 . . 1 . . . . . . . . 4186 1 1130 . 1 1 123 123 MET CA C 13 55.1 . . 1 . . . . . . . . 4186 1 1131 . 1 1 123 123 MET CB C 13 38.3 . . 1 . . . . . . . . 4186 1 1132 . 1 1 123 123 MET N N 15 121.7 . . 1 . . . . . . . . 4186 1 1133 . 1 1 124 124 THR H H 1 8.26 . . 1 . . . . . . . . 4186 1 1134 . 1 1 124 124 THR HA H 1 5.46 . . 1 . . . . . . . . 4186 1 1135 . 1 1 124 124 THR HB H 1 3.93 . . 1 . . . . . . . . 4186 1 1136 . 1 1 124 124 THR HG21 H 1 0.96 . . 1 . . . . . . . . 4186 1 1137 . 1 1 124 124 THR HG22 H 1 0.96 . . 1 . . . . . . . . 4186 1 1138 . 1 1 124 124 THR HG23 H 1 0.96 . . 1 . . . . . . . . 4186 1 1139 . 1 1 124 124 THR C C 13 172.1 . . 1 . . . . . . . . 4186 1 1140 . 1 1 124 124 THR CA C 13 60.7 . . 1 . . . . . . . . 4186 1 1141 . 1 1 124 124 THR CB C 13 71.2 . . 1 . . . . . . . . 4186 1 1142 . 1 1 124 124 THR N N 15 115.2 . . 1 . . . . . . . . 4186 1 1143 . 1 1 125 125 ALA H H 1 8.39 . . 1 . . . . . . . . 4186 1 1144 . 1 1 125 125 ALA HA H 1 4.84 . . 1 . . . . . . . . 4186 1 1145 . 1 1 125 125 ALA HB1 H 1 1.03 . . 1 . . . . . . . . 4186 1 1146 . 1 1 125 125 ALA HB2 H 1 1.03 . . 1 . . . . . . . . 4186 1 1147 . 1 1 125 125 ALA HB3 H 1 1.03 . . 1 . . . . . . . . 4186 1 1148 . 1 1 125 125 ALA C C 13 172.7 . . 1 . . . . . . . . 4186 1 1149 . 1 1 125 125 ALA CA C 13 51.6 . . 1 . . . . . . . . 4186 1 1150 . 1 1 125 125 ALA CB C 13 21.3 . . 1 . . . . . . . . 4186 1 1151 . 1 1 125 125 ALA N N 15 125.3 . . 1 . . . . . . . . 4186 1 1152 . 1 1 126 126 ASP H H 1 9.28 . . 1 . . . . . . . . 4186 1 1153 . 1 1 126 126 ASP HA H 1 4.14 . . 1 . . . . . . . . 4186 1 1154 . 1 1 126 126 ASP HB2 H 1 2.72 . . 1 . . . . . . . . 4186 1 1155 . 1 1 126 126 ASP HB3 H 1 2.72 . . 1 . . . . . . . . 4186 1 1156 . 1 1 126 126 ASP C C 13 172.7 . . 1 . . . . . . . . 4186 1 1157 . 1 1 126 126 ASP CA C 13 57.3 . . 1 . . . . . . . . 4186 1 1158 . 1 1 126 126 ASP CB C 13 39.6 . . 1 . . . . . . . . 4186 1 1159 . 1 1 126 126 ASP N N 15 122.4 . . 1 . . . . . . . . 4186 1 1160 . 1 1 127 127 ASP H H 1 8.48 . . 1 . . . . . . . . 4186 1 1161 . 1 1 127 127 ASP HA H 1 4.50 . . 1 . . . . . . . . 4186 1 1162 . 1 1 127 127 ASP HB2 H 1 2.66 . . 1 . . . . . . . . 4186 1 1163 . 1 1 127 127 ASP HB3 H 1 2.66 . . 1 . . . . . . . . 4186 1 1164 . 1 1 127 127 ASP C C 13 172.8 . . 1 . . . . . . . . 4186 1 1165 . 1 1 127 127 ASP CA C 13 54.7 . . 1 . . . . . . . . 4186 1 1166 . 1 1 127 127 ASP CB C 13 41.4 . . 1 . . . . . . . . 4186 1 1167 . 1 1 127 127 ASP N N 15 121.1 . . 1 . . . . . . . . 4186 1 1168 . 1 1 128 128 VAL H H 1 8.41 . . 1 . . . . . . . . 4186 1 1169 . 1 1 128 128 VAL HA H 1 3.95 . . 1 . . . . . . . . 4186 1 1170 . 1 1 128 128 VAL HB H 1 2.14 . . 1 . . . . . . . . 4186 1 1171 . 1 1 128 128 VAL HG11 H 1 0.92 . . 2 . . . . . . . . 4186 1 1172 . 1 1 128 128 VAL HG12 H 1 0.92 . . 2 . . . . . . . . 4186 1 1173 . 1 1 128 128 VAL HG13 H 1 0.92 . . 2 . . . . . . . . 4186 1 1174 . 1 1 128 128 VAL HG21 H 1 0.69 . . 2 . . . . . . . . 4186 1 1175 . 1 1 128 128 VAL HG22 H 1 0.69 . . 2 . . . . . . . . 4186 1 1176 . 1 1 128 128 VAL HG23 H 1 0.69 . . 2 . . . . . . . . 4186 1 1177 . 1 1 128 128 VAL C C 13 171.2 . . 1 . . . . . . . . 4186 1 1178 . 1 1 128 128 VAL CA C 13 63.6 . . 1 . . . . . . . . 4186 1 1179 . 1 1 128 128 VAL CB C 13 32.9 . . 1 . . . . . . . . 4186 1 1180 . 1 1 128 128 VAL N N 15 123.4 . . 1 . . . . . . . . 4186 1 1181 . 1 1 129 129 VAL H H 1 8.38 . . 1 . . . . . . . . 4186 1 1182 . 1 1 129 129 VAL HA H 1 4.50 . . 1 . . . . . . . . 4186 1 1183 . 1 1 129 129 VAL HB H 1 1.83 . . 1 . . . . . . . . 4186 1 1184 . 1 1 129 129 VAL HG11 H 1 0.77 . . 2 . . . . . . . . 4186 1 1185 . 1 1 129 129 VAL HG12 H 1 0.77 . . 2 . . . . . . . . 4186 1 1186 . 1 1 129 129 VAL HG13 H 1 0.77 . . 2 . . . . . . . . 4186 1 1187 . 1 1 129 129 VAL HG21 H 1 0.69 . . 2 . . . . . . . . 4186 1 1188 . 1 1 129 129 VAL HG22 H 1 0.69 . . 2 . . . . . . . . 4186 1 1189 . 1 1 129 129 VAL HG23 H 1 0.69 . . 2 . . . . . . . . 4186 1 1190 . 1 1 129 129 VAL C C 13 172.9 . . 1 . . . . . . . . 4186 1 1191 . 1 1 129 129 VAL CA C 13 61.4 . . 1 . . . . . . . . 4186 1 1192 . 1 1 129 129 VAL CB C 13 34.4 . . 1 . . . . . . . . 4186 1 1193 . 1 1 129 129 VAL N N 15 125.7 . . 1 . . . . . . . . 4186 1 1194 . 1 1 130 130 CYS H H 1 9.56 . . 1 . . . . . . . . 4186 1 1195 . 1 1 130 130 CYS HA H 1 5.16 . . 1 . . . . . . . . 4186 1 1196 . 1 1 130 130 CYS HB2 H 1 3.00 . . 2 . . . . . . . . 4186 1 1197 . 1 1 130 130 CYS HB3 H 1 2.66 . . 2 . . . . . . . . 4186 1 1198 . 1 1 130 130 CYS CA C 13 56.4 . . 1 . . . . . . . . 4186 1 1199 . 1 1 130 130 CYS CB C 13 35.4 . . 1 . . . . . . . . 4186 1 1200 . 1 1 130 130 CYS N N 15 129.4 . . 1 . . . . . . . . 4186 1 1201 . 1 1 131 131 THR H H 1 8.11 . . 1 . . . . . . . . 4186 1 1202 . 1 1 131 131 THR HA H 1 5.13 . . 1 . . . . . . . . 4186 1 1203 . 1 1 131 131 THR HB H 1 3.74 . . 1 . . . . . . . . 4186 1 1204 . 1 1 131 131 THR HG21 H 1 0.98 . . 1 . . . . . . . . 4186 1 1205 . 1 1 131 131 THR HG22 H 1 0.98 . . 1 . . . . . . . . 4186 1 1206 . 1 1 131 131 THR HG23 H 1 0.98 . . 1 . . . . . . . . 4186 1 1207 . 1 1 131 131 THR N N 15 124.6 . . 1 . . . . . . . . 4186 1 1208 . 1 1 132 132 ARG H H 1 9.77 . . 1 . . . . . . . . 4186 1 1209 . 1 1 132 132 ARG HA H 1 5.01 . . 1 . . . . . . . . 4186 1 1210 . 1 1 132 132 ARG HB2 H 1 1.78 . . 2 . . . . . . . . 4186 1 1211 . 1 1 132 132 ARG HB3 H 1 1.67 . . 2 . . . . . . . . 4186 1 1212 . 1 1 132 132 ARG HG2 H 1 1.50 . . 1 . . . . . . . . 4186 1 1213 . 1 1 132 132 ARG HG3 H 1 1.50 . . 1 . . . . . . . . 4186 1 1214 . 1 1 132 132 ARG N N 15 128.3 . . 1 . . . . . . . . 4186 1 1215 . 1 1 133 133 VAL H H 1 8.62 . . 1 . . . . . . . . 4186 1 1216 . 1 1 133 133 VAL HA H 1 4.90 . . 1 . . . . . . . . 4186 1 1217 . 1 1 133 133 VAL HB H 1 1.66 . . 1 . . . . . . . . 4186 1 1218 . 1 1 133 133 VAL HG11 H 1 0.85 . . 2 . . . . . . . . 4186 1 1219 . 1 1 133 133 VAL HG12 H 1 0.85 . . 2 . . . . . . . . 4186 1 1220 . 1 1 133 133 VAL HG13 H 1 0.85 . . 2 . . . . . . . . 4186 1 1221 . 1 1 133 133 VAL HG21 H 1 0.80 . . 2 . . . . . . . . 4186 1 1222 . 1 1 133 133 VAL HG22 H 1 0.80 . . 2 . . . . . . . . 4186 1 1223 . 1 1 133 133 VAL HG23 H 1 0.80 . . 2 . . . . . . . . 4186 1 1224 . 1 1 133 133 VAL C C 13 171.2 . . 1 . . . . . . . . 4186 1 1225 . 1 1 133 133 VAL CA C 13 62.2 . . 1 . . . . . . . . 4186 1 1226 . 1 1 133 133 VAL N N 15 122.8 . . 1 . . . . . . . . 4186 1 1227 . 1 1 134 134 TYR H H 1 9.79 . . 1 . . . . . . . . 4186 1 1228 . 1 1 134 134 TYR HA H 1 5.59 . . 1 . . . . . . . . 4186 1 1229 . 1 1 134 134 TYR HB2 H 1 3.23 . . 2 . . . . . . . . 4186 1 1230 . 1 1 134 134 TYR HB3 H 1 3.01 . . 2 . . . . . . . . 4186 1 1231 . 1 1 134 134 TYR C C 13 172.5 . . 1 . . . . . . . . 4186 1 1232 . 1 1 134 134 TYR CA C 13 56.5 . . 1 . . . . . . . . 4186 1 1233 . 1 1 134 134 TYR CB C 13 43.6 . . 1 . . . . . . . . 4186 1 1234 . 1 1 134 134 TYR N N 15 127.2 . . 1 . . . . . . . . 4186 1 1235 . 1 1 135 135 VAL H H 1 9.55 . . 1 . . . . . . . . 4186 1 1236 . 1 1 135 135 VAL HA H 1 5.33 . . 1 . . . . . . . . 4186 1 1237 . 1 1 135 135 VAL HB H 1 2.36 . . 1 . . . . . . . . 4186 1 1238 . 1 1 135 135 VAL HG11 H 1 1.04 . . 2 . . . . . . . . 4186 1 1239 . 1 1 135 135 VAL HG12 H 1 1.04 . . 2 . . . . . . . . 4186 1 1240 . 1 1 135 135 VAL HG13 H 1 1.04 . . 2 . . . . . . . . 4186 1 1241 . 1 1 135 135 VAL HG21 H 1 0.85 . . 2 . . . . . . . . 4186 1 1242 . 1 1 135 135 VAL HG22 H 1 0.85 . . 2 . . . . . . . . 4186 1 1243 . 1 1 135 135 VAL HG23 H 1 0.85 . . 2 . . . . . . . . 4186 1 1244 . 1 1 135 135 VAL C C 13 172.8 . . 1 . . . . . . . . 4186 1 1245 . 1 1 135 135 VAL CA C 13 59.7 . . 1 . . . . . . . . 4186 1 1246 . 1 1 135 135 VAL CB C 13 36.2 . . 1 . . . . . . . . 4186 1 1247 . 1 1 135 135 VAL N N 15 112.1 . . 1 . . . . . . . . 4186 1 1248 . 1 1 136 136 ARG H H 1 8.55 . . 1 . . . . . . . . 4186 1 1249 . 1 1 136 136 ARG HA H 1 3.89 . . 1 . . . . . . . . 4186 1 1250 . 1 1 136 136 ARG HB2 H 1 1.29 . . 2 . . . . . . . . 4186 1 1251 . 1 1 136 136 ARG HB3 H 1 1.11 . . 2 . . . . . . . . 4186 1 1252 . 1 1 136 136 ARG HG2 H 1 0.59 . . 2 . . . . . . . . 4186 1 1253 . 1 1 136 136 ARG HG3 H 1 0.06 . . 2 . . . . . . . . 4186 1 1254 . 1 1 136 136 ARG HD2 H 1 2.70 . . 2 . . . . . . . . 4186 1 1255 . 1 1 136 136 ARG HD3 H 1 2.79 . . 2 . . . . . . . . 4186 1 1256 . 1 1 136 136 ARG C C 13 174.5 . . 1 . . . . . . . . 4186 1 1257 . 1 1 136 136 ARG CA C 13 57.3 . . 1 . . . . . . . . 4186 1 1258 . 1 1 136 136 ARG CB C 13 30.3 . . 1 . . . . . . . . 4186 1 1259 . 1 1 136 136 ARG N N 15 123.2 . . 1 . . . . . . . . 4186 1 1260 . 1 1 137 137 GLU H H 1 8.08 . . 1 . . . . . . . . 4186 1 1261 . 1 1 137 137 GLU HA H 1 3.86 . . 1 . . . . . . . . 4186 1 1262 . 1 1 137 137 GLU HB2 H 1 1.80 . . 2 . . . . . . . . 4186 1 1263 . 1 1 137 137 GLU HB3 H 1 1.68 . . 2 . . . . . . . . 4186 1 1264 . 1 1 137 137 GLU HG2 H 1 2.05 . . 2 . . . . . . . . 4186 1 1265 . 1 1 137 137 GLU HG3 H 1 1.90 . . 2 . . . . . . . . 4186 1 1266 . 1 1 137 137 GLU C C 13 178.7 . . 1 . . . . . . . . 4186 1 1267 . 1 1 137 137 GLU CA C 13 58.9 . . 1 . . . . . . . . 4186 1 1268 . 1 1 137 137 GLU CB C 13 31.6 . . 1 . . . . . . . . 4186 1 1269 . 1 1 137 137 GLU N N 15 125.6 . . 1 . . . . . . . . 4186 1 stop_ save_