data_16611 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16611 _Entry.Title ; Phosphorylation of SUMO-interacting motif by CK2 enhances Daxx SUMO binding activity. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-11-17 _Entry.Accession_date 2009-11-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details 'This entry describes the solution structure of complex between Small Ubiquitin like Modifier -1 (SUMO-1) and the synthetic peptide derived from the C-terminal SUMO Interacting Motif (SIM) of Death Associated Protein -6.' _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 Mandar Naik . T. . 16611 2 Tai-Huang Huang . . . 16611 3 Hsiu-Ming Shih . . . 16611 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institute of Biomedical Science, Academia Sinica' . 16611 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 16611 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 493 16611 '15N chemical shifts' 120 16611 '1H chemical shifts' 797 16611 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2011-03-24 2009-11-17 update BMRB 'update entry citation' 16611 1 . . 2010-10-14 2009-11-17 original author 'original release' 16611 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2ASQ 'Solution structure of complex between SUMO-1 and SIM from PIASx' 16611 PDB 2RPQ 'Solution structure of complex between SUMO-3 and SIM from MCAF1' 16611 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16611 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20927612 _Citation.Full_citation . _Citation.Title 'NMR chemical shift assignments of a complex between SUMO-1 and SIM peptide derived from the C-terminus of Daxx.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 5 _Citation.Journal_issue 1 _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 75 _Citation.Page_last 77 _Citation.Year 2011 _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 Mandar Naik . T. . 16611 1 2 Che-Chang Chang . . . 16611 1 3 Nandita Naik . M. . 16611 1 4 'Camy C-H' Kung . . . 16611 1 5 Hsiu-Ming Shih . . . 16611 1 6 Tai-Huang Huang . . . 16611 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16611 _Assembly.ID 1 _Assembly.Name 'SUMO-1 Daxx SIM complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SUMO1 1 $SUMO1 A . yes native no yes . Protein . 16611 1 2 DAXX20 2 $DAXX20 B . yes native no yes . Peptide 'DAXX20 undergoes conformational exchange which appears fast on NMR timescale.' 16611 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'Fast exchange' 16611 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Localization and sequestration of Daxx.' 16611 1 'Regulation of the corepressor function of Daxx.' 16611 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SUMO1 _Entity.Sf_category entity _Entity.Sf_framecode SUMO1 _Entity.Entry_ID 16611 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SUMO1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSDQEAKPSTEDLGDKKEGE YIKLKVIGQDSSEIHFKVKM TTHLKKLKESYCQRQGVPMN SLRFLFEGQRIADNHTPKEL GMEEEDVIEVYQEQTGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Mature form of Small Ubiquitin like Modifier 1.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11149.640 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17536 . SUMO1 . . . . . 100.00 97 100.00 100.00 1.59e-63 . . . . 16611 1 2 no BMRB 25299 . entity . . . . . 100.00 97 100.00 100.00 1.59e-63 . . . . 16611 1 3 no PDB 1A5R . "Structure Determination Of The Small Ubiquitin-Related Modifier Sumo-1, Nmr, 10 Structures" . . . . . 100.00 103 100.00 100.00 1.98e-63 . . . . 16611 1 4 no PDB 1TGZ . "Structure Of Human Senp2 In Complex With Sumo-1" . . . . . 82.47 80 100.00 100.00 1.67e-50 . . . . 16611 1 5 no PDB 1WYW . "Crystal Structure Of Sumo1-Conjugated Thymine Dna Glycosylase" . . . . . 100.00 97 100.00 100.00 1.59e-63 . . . . 16611 1 6 no PDB 1Y8R . "Sumo E1 Activating Enzyme Sae1-Sae2-Sumo1-Mg-Atp Complex" . . . . . 100.00 97 100.00 100.00 1.59e-63 . . . . 16611 1 7 no PDB 1Z5S . "Crystal Structure Of A Complex Between Ubc9, Sumo-1, Rangap1 And Nup358RANBP2" . . . . . 82.47 82 100.00 100.00 1.89e-50 . . . . 16611 1 8 no PDB 2ASQ . "Solution Structure Of Sumo-1 In Complex With A Sumo-Binding Motif (Sbm)" . . . . . 100.00 97 100.00 100.00 1.59e-63 . . . . 16611 1 9 no PDB 2BF8 . "Crystal Structure Of Sumo Modified Ubiquitin Conjugating Enzyme E2-25k" . . . . . 79.38 77 100.00 100.00 1.83e-48 . . . . 16611 1 10 no PDB 2G4D . "Crystal Structure Of Human Senp1 Mutant (C603s) In Complex With Sumo-1" . . . . . 80.41 78 100.00 100.00 4.19e-49 . . . . 16611 1 11 no PDB 2IO2 . "Crystal Structure Of Human Senp2 In Complex With Rangap1-sumo-1" . . . . . 82.47 82 100.00 100.00 1.89e-50 . . . . 16611 1 12 no PDB 2IY0 . "Senp1 (Mutant) Sumo1 Rangap" . . . . . 80.41 82 100.00 100.00 3.53e-49 . . . . 16611 1 13 no PDB 2IY1 . "Senp1 (Mutant) Full Length Sumo1" . . . . . 80.41 83 100.00 100.00 4.52e-49 . . . . 16611 1 14 no PDB 2KQS . "Phosphorylation Of Sumo-interacting Motif By Ck2 Enhances Daxx Sumo Binding Activity" . . . . . 100.00 99 100.00 100.00 1.93e-63 . . . . 16611 1 15 no PDB 2LAS . "Molecular Determinants Of Paralogue-Specific Sumo-Sim Recognition" . . . . . 80.41 78 100.00 100.00 4.19e-49 . . . . 16611 1 16 no PDB 2MW5 . "Backbone Fold Of Human Small Ubiquitin Like Modifier Protein-1 (sumo- 1) Based On Prot3d-nmr Approach" . . . . . 100.00 97 100.00 100.00 1.59e-63 . . . . 16611 1 17 no PDB 2PE6 . "Non-Covalent Complex Between Human Sumo-1 And Human Ubc9" . . . . . 100.00 97 100.00 100.00 1.59e-63 . . . . 16611 1 18 no PDB 2UYZ . "Non-Covalent Complex Between Ubc9 And Sumo1" . . . . . 80.41 79 100.00 100.00 3.82e-49 . . . . 16611 1 19 no PDB 2VRR . "Structure Of Sumo Modified Ubc9" . . . . . 80.41 79 100.00 100.00 3.82e-49 . . . . 16611 1 20 no PDB 3KYC . "Human Sumo E1 Complex With A Sumo1-Amp Mimic" . . . . . 100.00 97 98.97 98.97 1.72e-62 . . . . 16611 1 21 no PDB 3KYD . "Human Sumo E1~sumo1-amp Tetrahedral Intermediate Mimic" . . . . . 98.97 115 98.96 98.96 1.18e-61 . . . . 16611 1 22 no PDB 3RZW . "Crystal Structure Of The Monobody Ysmb-9 Bound To Human Sumo1" . . . . . 100.00 99 98.97 98.97 2.08e-62 . . . . 16611 1 23 no PDB 3UIP . "Complex Between Human Rangap1-sumo1, Ubc9 And The Ir1 Domain From Ranbp2 Containing Ir2 Motif Ii" . . . . . 82.47 80 100.00 100.00 1.67e-50 . . . . 16611 1 24 no PDB 4WJN . "Crystal Structure Of Sumo1 In Complex With Phosphorylated Pml" . . . . . 83.51 83 98.77 98.77 4.90e-50 . . . . 16611 1 25 no PDB 4WJO . "Crystal Structure Of Sumo1 In Complex With Pml" . . . . . 83.51 83 98.77 98.77 4.90e-50 . . . . 16611 1 26 no PDB 4WJP . "Crystal Structure Of Sumo1 In Complex With Phosphorylated Daxx" . . . . . 83.51 83 98.77 98.77 4.90e-50 . . . . 16611 1 27 no PDB 4WJQ . "Crystal Structure Of Sumo1 In Complex With Daxx" . . . . . 83.51 83 98.77 98.77 4.90e-50 . . . . 16611 1 28 no DBJ BAB22172 . "unnamed protein product [Mus musculus]" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 16611 1 29 no DBJ BAB27379 . "unnamed protein product [Mus musculus]" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 16611 1 30 no DBJ BAB93477 . "ubiquitin-homology domain protein PIC1 [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 16611 1 31 no DBJ BAC40739 . "unnamed protein product [Mus musculus]" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 16611 1 32 no DBJ BAE35024 . "unnamed protein product [Mus musculus]" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 16611 1 33 no EMBL CAA67898 . "SMT3C protein [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 16611 1 34 no EMBL CAG31129 . "hypothetical protein RCJMB04_2j18 [Gallus gallus]" . . . . . 100.00 101 97.94 97.94 3.34e-62 . . . . 16611 1 35 no EMBL CAG46944 . "UBL1 [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 16611 1 36 no EMBL CAG46953 . "UBL1 [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 16611 1 37 no EMBL CAH92616 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 16611 1 38 no GB AAB39999 . "sentrin [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 16611 1 39 no GB AAB40388 . "ubiquitin-homology domain protein PIC1 [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 16611 1 40 no GB AAB40390 . "gap modifying protein 1 [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 16611 1 41 no GB AAC39959 . "ubiquitin-homology domain protein [Mus musculus]" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 16611 1 42 no GB AAC50733 . "similar to ubiquitin and to yeast Smt3p (suppressor of MIF2); Method: conceptual translation supplied by author [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 16611 1 43 no REF NP_001005781 . "small ubiquitin-related modifier 1 isoform a precursor [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 16611 1 44 no REF NP_001005782 . "small ubiquitin-related modifier 1 isoform b precursor [Homo sapiens]" . . . . . 71.13 76 100.00 100.00 1.23e-42 . . . . 16611 1 45 no REF NP_001009672 . "small ubiquitin-related modifier 1 precursor [Rattus norvegicus]" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 16611 1 46 no REF NP_001030535 . "small ubiquitin-related modifier 1 precursor [Bos taurus]" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 16611 1 47 no REF NP_001106146 . "small ubiquitin-related modifier 1 precursor [Sus scrofa]" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 16611 1 48 no SP A7WLH8 . "RecName: Full=Small ubiquitin-related modifier 1; Short=SUMO-1; Flags: Precursor" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 16611 1 49 no SP P63165 . "RecName: Full=Small ubiquitin-related modifier 1; Short=SUMO-1; AltName: Full=GAP-modifying protein 1; Short=GMP1; AltName: Ful" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 16611 1 50 no SP P63166 . "RecName: Full=Small ubiquitin-related modifier 1; Short=SUMO-1; AltName: Full=SMT3 homolog 3; AltName: Full=Ubiquitin-homology " . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 16611 1 51 no SP Q2EF74 . "RecName: Full=Small ubiquitin-related modifier 1; Short=SUMO-1; Flags: Precursor" . . . . . 100.00 101 100.00 100.00 1.43e-63 . . . . 16611 1 52 no SP Q5E9D1 . "RecName: Full=Small ubiquitin-related modifier 1; Short=SUMO-1; Flags: Precursor" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 16611 1 53 no TPG DAA32560 . "TPA: small ubiquitin-related modifier 1 precursor [Bos taurus]" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 16611 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Ubiquitin-like protein which can be covalently attached to target lysines as a monomer. Does not seem to be involved in protein degradation and may function as an antagonist of ubiquitin in the degradation process. Plays a role in a number of cellular processes such as nuclear transport, DNA replication and repair, mitosis and signal transduction.' 16611 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16611 1 2 . SER . 16611 1 3 . ASP . 16611 1 4 . GLN . 16611 1 5 . GLU . 16611 1 6 . ALA . 16611 1 7 . LYS . 16611 1 8 . PRO . 16611 1 9 . SER . 16611 1 10 . THR . 16611 1 11 . GLU . 16611 1 12 . ASP . 16611 1 13 . LEU . 16611 1 14 . GLY . 16611 1 15 . ASP . 16611 1 16 . LYS . 16611 1 17 . LYS . 16611 1 18 . GLU . 16611 1 19 . GLY . 16611 1 20 . GLU . 16611 1 21 . TYR . 16611 1 22 . ILE . 16611 1 23 . LYS . 16611 1 24 . LEU . 16611 1 25 . LYS . 16611 1 26 . VAL . 16611 1 27 . ILE . 16611 1 28 . GLY . 16611 1 29 . GLN . 16611 1 30 . ASP . 16611 1 31 . SER . 16611 1 32 . SER . 16611 1 33 . GLU . 16611 1 34 . ILE . 16611 1 35 . HIS . 16611 1 36 . PHE . 16611 1 37 . LYS . 16611 1 38 . VAL . 16611 1 39 . LYS . 16611 1 40 . MET . 16611 1 41 . THR . 16611 1 42 . THR . 16611 1 43 . HIS . 16611 1 44 . LEU . 16611 1 45 . LYS . 16611 1 46 . LYS . 16611 1 47 . LEU . 16611 1 48 . LYS . 16611 1 49 . GLU . 16611 1 50 . SER . 16611 1 51 . TYR . 16611 1 52 . CYS . 16611 1 53 . GLN . 16611 1 54 . ARG . 16611 1 55 . GLN . 16611 1 56 . GLY . 16611 1 57 . VAL . 16611 1 58 . PRO . 16611 1 59 . MET . 16611 1 60 . ASN . 16611 1 61 . SER . 16611 1 62 . LEU . 16611 1 63 . ARG . 16611 1 64 . PHE . 16611 1 65 . LEU . 16611 1 66 . PHE . 16611 1 67 . GLU . 16611 1 68 . GLY . 16611 1 69 . GLN . 16611 1 70 . ARG . 16611 1 71 . ILE . 16611 1 72 . ALA . 16611 1 73 . ASP . 16611 1 74 . ASN . 16611 1 75 . HIS . 16611 1 76 . THR . 16611 1 77 . PRO . 16611 1 78 . LYS . 16611 1 79 . GLU . 16611 1 80 . LEU . 16611 1 81 . GLY . 16611 1 82 . MET . 16611 1 83 . GLU . 16611 1 84 . GLU . 16611 1 85 . GLU . 16611 1 86 . ASP . 16611 1 87 . VAL . 16611 1 88 . ILE . 16611 1 89 . GLU . 16611 1 90 . VAL . 16611 1 91 . TYR . 16611 1 92 . GLN . 16611 1 93 . GLU . 16611 1 94 . GLN . 16611 1 95 . THR . 16611 1 96 . GLY . 16611 1 97 . GLY . 16611 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16611 1 . SER 2 2 16611 1 . ASP 3 3 16611 1 . GLN 4 4 16611 1 . GLU 5 5 16611 1 . ALA 6 6 16611 1 . LYS 7 7 16611 1 . PRO 8 8 16611 1 . SER 9 9 16611 1 . THR 10 10 16611 1 . GLU 11 11 16611 1 . ASP 12 12 16611 1 . LEU 13 13 16611 1 . GLY 14 14 16611 1 . ASP 15 15 16611 1 . LYS 16 16 16611 1 . LYS 17 17 16611 1 . GLU 18 18 16611 1 . GLY 19 19 16611 1 . GLU 20 20 16611 1 . TYR 21 21 16611 1 . ILE 22 22 16611 1 . LYS 23 23 16611 1 . LEU 24 24 16611 1 . LYS 25 25 16611 1 . VAL 26 26 16611 1 . ILE 27 27 16611 1 . GLY 28 28 16611 1 . GLN 29 29 16611 1 . ASP 30 30 16611 1 . SER 31 31 16611 1 . SER 32 32 16611 1 . GLU 33 33 16611 1 . ILE 34 34 16611 1 . HIS 35 35 16611 1 . PHE 36 36 16611 1 . LYS 37 37 16611 1 . VAL 38 38 16611 1 . LYS 39 39 16611 1 . MET 40 40 16611 1 . THR 41 41 16611 1 . THR 42 42 16611 1 . HIS 43 43 16611 1 . LEU 44 44 16611 1 . LYS 45 45 16611 1 . LYS 46 46 16611 1 . LEU 47 47 16611 1 . LYS 48 48 16611 1 . GLU 49 49 16611 1 . SER 50 50 16611 1 . TYR 51 51 16611 1 . CYS 52 52 16611 1 . GLN 53 53 16611 1 . ARG 54 54 16611 1 . GLN 55 55 16611 1 . GLY 56 56 16611 1 . VAL 57 57 16611 1 . PRO 58 58 16611 1 . MET 59 59 16611 1 . ASN 60 60 16611 1 . SER 61 61 16611 1 . LEU 62 62 16611 1 . ARG 63 63 16611 1 . PHE 64 64 16611 1 . LEU 65 65 16611 1 . PHE 66 66 16611 1 . GLU 67 67 16611 1 . GLY 68 68 16611 1 . GLN 69 69 16611 1 . ARG 70 70 16611 1 . ILE 71 71 16611 1 . ALA 72 72 16611 1 . ASP 73 73 16611 1 . ASN 74 74 16611 1 . HIS 75 75 16611 1 . THR 76 76 16611 1 . PRO 77 77 16611 1 . LYS 78 78 16611 1 . GLU 79 79 16611 1 . LEU 80 80 16611 1 . GLY 81 81 16611 1 . MET 82 82 16611 1 . GLU 83 83 16611 1 . GLU 84 84 16611 1 . GLU 85 85 16611 1 . ASP 86 86 16611 1 . VAL 87 87 16611 1 . ILE 88 88 16611 1 . GLU 89 89 16611 1 . VAL 90 90 16611 1 . TYR 91 91 16611 1 . GLN 92 92 16611 1 . GLU 93 93 16611 1 . GLN 94 94 16611 1 . THR 95 95 16611 1 . GLY 96 96 16611 1 . GLY 97 97 16611 1 stop_ save_ save_DAXX20 _Entity.Sf_category entity _Entity.Sf_framecode DAXX20 _Entity.Entry_ID 16611 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name DAXX20 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KTSVATQCDPEEIIVLSDSD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Last 20 amino acids of the Death-associated protein -6 (Daxx), comprising one of the two SUMO Interacting Motif (SIM).' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 20 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment DAXX20 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2151.341 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Peptide derived from last 20 amino acids of Daxx. Can be written as Daxx721-740.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 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 2KQS . "Phosphorylation Of Sumo-interacting Motif By Ck2 Enhances Daxx Sumo Binding Activity" . . . . . 100.00 22 100.00 100.00 1.15e-03 . . . . 16611 2 2 no DBJ BAA34295 . "Daxx [Homo sapiens]" . . . . . 100.00 740 100.00 100.00 6.01e-03 . . . . 16611 2 3 no DBJ BAB83524 . "Daxx [Rattus norvegicus]" . . . . . 100.00 731 100.00 100.00 6.53e-03 . . . . 16611 2 4 no DBJ BAD97124 . "death-associated protein 6 variant [Homo sapiens]" . . . . . 100.00 740 100.00 100.00 6.07e-03 . . . . 16611 2 5 no DBJ BAE02344 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 429 100.00 100.00 5.34e-03 . . . . 16611 2 6 no DBJ BAE21895 . "unnamed protein product [Mus musculus]" . . . . . 100.00 740 100.00 100.00 6.74e-03 . . . . 16611 2 7 no EMBL CAE83918 . "death domain-associated protein [Rattus norvegicus]" . . . . . 100.00 730 100.00 100.00 6.52e-03 . . . . 16611 2 8 no EMBL CAG33366 . "DAXX [Homo sapiens]" . . . . . 100.00 740 100.00 100.00 6.01e-03 . . . . 16611 2 9 no EMBL CAH91194 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 742 100.00 100.00 5.37e-03 . . . . 16611 2 10 no GB AAB63043 . "Daxx [Homo sapiens]" . . . . . 100.00 248 100.00 100.00 3.29e-03 . . . . 16611 2 11 no GB AAB66585 . "Fas-binding protein Daxx [Homo sapiens]" . . . . . 100.00 740 100.00 100.00 6.49e-03 . . . . 16611 2 12 no GB AAB66586 . "Fas-binding protein Daxx [Chlorocebus aethiops]" . . . . . 100.00 736 100.00 100.00 6.06e-03 . . . . 16611 2 13 no GB AAB92671 . "Fas binding protein [Homo sapiens]" . . . . . 100.00 740 100.00 100.00 6.01e-03 . . . . 16611 2 14 no GB AAC39853 . "CENP-C binding protein [Homo sapiens]" . . . . . 100.00 740 100.00 100.00 6.01e-03 . . . . 16611 2 15 no REF NP_001135441 . "death domain-associated protein 6 isoform a [Homo sapiens]" . . . . . 100.00 740 100.00 100.00 6.01e-03 . . . . 16611 2 16 no REF NP_001135442 . "death domain-associated protein 6 isoform b [Homo sapiens]" . . . . . 100.00 752 100.00 100.00 6.15e-03 . . . . 16611 2 17 no REF NP_001186662 . "death domain-associated protein 6 [Mus musculus]" . . . . . 100.00 740 100.00 100.00 6.74e-03 . . . . 16611 2 18 no REF NP_001241646 . "death domain-associated protein 6 isoform c [Homo sapiens]" . . . . . 100.00 665 100.00 100.00 5.77e-03 . . . . 16611 2 19 no REF NP_001341 . "death domain-associated protein 6 isoform a [Homo sapiens]" . . . . . 100.00 740 100.00 100.00 6.01e-03 . . . . 16611 2 20 no SP O18805 . "RecName: Full=Death domain-associated protein 6; AltName: Full=Daxx [Chlorocebus aethiops]" . . . . . 100.00 736 100.00 100.00 6.06e-03 . . . . 16611 2 21 no SP O35613 . "RecName: Full=Death domain-associated protein 6; AltName: Full=Daxx [Mus musculus]" . . . . . 100.00 739 100.00 100.00 6.74e-03 . . . . 16611 2 22 no SP Q8VIB2 . "RecName: Full=Death domain-associated protein 6; AltName: Full=Daxx [Rattus norvegicus]" . . . . . 100.00 731 100.00 100.00 6.53e-03 . . . . 16611 2 23 no SP Q9UER7 . "RecName: Full=Death domain-associated protein 6; AltName: Full=Daxx; Short=hDaxx; AltName: Full=ETS1-associated protein 1; Shor" . . . . . 100.00 740 100.00 100.00 6.01e-03 . . . . 16611 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Proposed to mediate activation of the JNK pathway and apoptosis via MAP3K5 in response to signaling from TNFRSF6 and TGFBR2. Interaction with HSPB1/HSP27 may prevent interaction with TNFRSF6 and MAP3K5 and block DAXX-mediated apoptosis. In contrast, in lymphoid cells JNC activation and TNFRSF6-mediated apoptosis may not involve DAXX. Seems to regulate transcription in PML/POD/ND10 nuclear bodies together with PML and may influence TNFRSF6-dependent apoptosis thereby. Down-regulates basal and activated transcription. Seems to act as a transcriptional co-repressor and inhibits PAX3 and ETS1 through direct protein-protein interaction. Modulates PAX5 activity. Its transcription repressor activity is modulated by recruiting it to subnuclear compartments like the nucleolus or PML/POD/ND10 nuclear bodies through interactions with MCSR1 and PML, respectively.' 16611 2 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 1 721 LYS . 16611 2 2 722 THR . 16611 2 3 723 SER . 16611 2 4 724 VAL . 16611 2 5 725 ALA . 16611 2 6 726 THR . 16611 2 7 727 GLN . 16611 2 8 728 CYS . 16611 2 9 729 ASP . 16611 2 10 730 PRO . 16611 2 11 731 GLU . 16611 2 12 732 GLU . 16611 2 13 733 ILE . 16611 2 14 734 ILE . 16611 2 15 735 VAL . 16611 2 16 736 LEU . 16611 2 17 737 SER . 16611 2 18 738 ASP . 16611 2 19 739 SER . 16611 2 20 740 ASP . 16611 2 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 . LYS 1 1 16611 2 . THR 2 2 16611 2 . SER 3 3 16611 2 . VAL 4 4 16611 2 . ALA 5 5 16611 2 . THR 6 6 16611 2 . GLN 7 7 16611 2 . CYS 8 8 16611 2 . ASP 9 9 16611 2 . PRO 10 10 16611 2 . GLU 11 11 16611 2 . GLU 12 12 16611 2 . ILE 13 13 16611 2 . ILE 14 14 16611 2 . VAL 15 15 16611 2 . LEU 16 16 16611 2 . SER 17 17 16611 2 . ASP 18 18 16611 2 . SER 19 19 16611 2 . ASP 20 20 16611 2 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 16611 _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 $SUMO1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . SUMO1 . 'Small ubiquitin-related modifier 1' . . 16611 1 2 2 $DAXX20 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . DAXX . 'Death domain-associated protein 6' . . 16611 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 16611 _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 $SUMO1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pGex-4T1 . . . 'The protein was expressed as fusion protein with Glutathione S-Transferase and then separated from the fusion partner using Thrombin protease.' . . 16611 1 2 2 $DAXX20 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pGex-4T1 . . . 'The protein was expressed as fusion protein with Glutathione S-Transferase and then separated from the fusion partner using Thrombin protease.' . . 16611 1 3 2 $DAXX20 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16611 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16611 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Uses synthetic DAXX20' _Sample.Aggregate_sample_number 10 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SUMO1 '[U-100% 15N]' . . 1 $SUMO1 . . . 0.27 0.5 mM . . . . 16611 1 2 DAXX20 'natural abundance' . . 2 $DAXX20 . . . 0 1.7 mM . . . . 16611 1 3 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 16611 1 4 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16611 1 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 16611 1 6 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 16611 1 7 'sodium azide' 'natural abundance' . . . . . . 0.001 . . % . . . . 16611 1 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16611 1 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16611 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16611 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Uses synthetic DAXX20' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SUMO1 '[U-100% 13C; U-100% 15N]' . . 1 $SUMO1 . . 0.5 . . mM . . . . 16611 2 2 DAXX20 'natural abundance' . . 2 $DAXX20 . . 2 . . mM . . . . 16611 2 3 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 16611 2 4 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16611 2 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 16611 2 6 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 16611 2 7 'sodium azide' 'natural abundance' . . . . . . 0.001 . . % . . . . 16611 2 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16611 2 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16611 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16611 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Uses Recombinant DAXX20' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SUMO1 'natural abundance' . . 1 $SUMO1 . . 2 . . mM . . . . 16611 3 2 DAXX20 '[U-100% 13C; U-100% 15N]' . . 2 $DAXX20 . . 0.5 . . mM . . . . 16611 3 3 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 16611 3 4 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16611 3 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 16611 3 6 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 16611 3 7 'sodium azide' 'natural abundance' . . . . . . 0.001 . . % . . . . 16611 3 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16611 3 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16611 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 16611 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Uses Recombinant DAXX20' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SUMO1 '[U-100% 13C; U-100% 15N]' . . 1 $SUMO1 . . 0.5 . . mM . . . . 16611 4 2 DAXX20 '[U-100% 13C; U-100% 15N]' . . 2 $DAXX20 . . 0.5 . . mM . . . . 16611 4 3 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 16611 4 4 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16611 4 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 16611 4 6 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 16611 4 7 'sodium azide' 'natural abundance' . . . . . . 0.001 . . % . . . . 16611 4 8 'Pf1 phage' 'natural abundance' . . . . . . 0.0066 . . w/v . . . . 16611 4 9 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16611 4 10 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16611 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16611 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 0.001 M 16611 1 pH 6.5 0.05 pH 16611 1 pressure 1 . atm 16611 1 temperature 290 0.1 K 16611 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16611 _Software.ID 1 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . brunger@stanford.edu 16611 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16611 1 'structure solution' 16611 1 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 16611 _Software.ID 2 _Software.Name ARIA _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 16611 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16611 2 'structure solution' 16611 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16611 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16611 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16611 3 processing 16611 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16611 _Software.ID 4 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16611 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16611 4 'peak picking' 16611 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16611 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16611 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16611 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16611 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 16611 1 2 spectrometer_2 Bruker Avance . 600 . . . 16611 1 3 spectrometer_3 Bruker Avance . 800 . . . 16611 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 16611 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16611 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16611 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16611 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16611 1 5 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16611 1 6 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16611 1 7 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16611 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16611 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16611 1 10 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16611 1 11 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16611 1 12 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16611 1 13 '3D 1H-15N TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16611 1 14 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16611 1 15 '3D HCCH-COSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16611 1 16 '3D CCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16611 1 17 '3D CCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16611 1 18 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16611 1 19 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16611 1 20 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16611 1 21 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16611 1 22 '3D 1H-15N NOESY - F1 filtered' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16611 1 23 '3D 1H-13C NOESY - F1 filtered' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16611 1 24 '3D HNHA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16611 1 25 '2D 1H-15N HSQC - IPAP' no . . . . . . . . . . 4 $sample_4 anisotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16611 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16611 _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 na indirect 0.251449530 . . . . . . . . . 16611 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16611 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16611 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 16611 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method 'Chemical shift standard deviation in different NMR experiments.' _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16611 1 2 '2D 1H-13C HSQC' . . . 16611 1 3 '2D 1H-13C HSQC' . . . 16611 1 4 '3D HNCA' . . . 16611 1 5 '3D HNCA' . . . 16611 1 6 '3D HNCACB' . . . 16611 1 7 '3D HNCACB' . . . 16611 1 8 '3D CBCA(CO)NH' . . . 16611 1 9 '3D CBCA(CO)NH' . . . 16611 1 10 '3D HNCO' . . . 16611 1 11 '3D HNCO' . . . 16611 1 14 '3D HCCH-COSY' . . . 16611 1 15 '3D HCCH-COSY' . . . 16611 1 16 '3D CCH-TOCSY' . . . 16611 1 17 '3D CCH-TOCSY' . . . 16611 1 18 '3D 1H-15N NOESY' . . . 16611 1 19 '3D 1H-15N NOESY' . . . 16611 1 20 '3D 1H-13C NOESY' . . . 16611 1 21 '3D 1H-13C NOESY' . . . 16611 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $SPARKY . . 16611 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 MET HA H 1 4.556 0.012 . 1 . . . . 1 MET HA . 16611 1 2 . 1 1 1 1 MET HB2 H 1 2.200 0.010 . 1 . . . . 1 MET HB2 . 16611 1 3 . 1 1 1 1 MET HB3 H 1 2.200 0.010 . 1 . . . . 1 MET HB3 . 16611 1 4 . 1 1 1 1 MET HE1 H 1 2.140 0.010 . 1 . . . . 1 MET HE1 . 16611 1 5 . 1 1 1 1 MET HE2 H 1 2.140 0.010 . 1 . . . . 1 MET HE2 . 16611 1 6 . 1 1 1 1 MET HE3 H 1 2.140 0.010 . 1 . . . . 1 MET HE3 . 16611 1 7 . 1 1 1 1 MET HG2 H 1 2.644 0.010 . 2 . . . . 1 MET HG2 . 16611 1 8 . 1 1 1 1 MET HG3 H 1 2.644 0.010 . 2 . . . . 1 MET HG3 . 16611 1 9 . 1 1 1 1 MET C C 13 176.539 0.100 . 1 . . . . 1 MET C . 16611 1 10 . 1 1 1 1 MET CA C 13 56.166 0.100 . 1 . . . . 1 MET CA . 16611 1 11 . 1 1 1 1 MET CB C 13 32.636 0.100 . 1 . . . . 1 MET CB . 16611 1 12 . 1 1 1 1 MET CE C 13 16.950 0.100 . 1 . . . . 1 MET CE . 16611 1 13 . 1 1 1 1 MET CG C 13 32.057 0.100 . 1 . . . . 1 MET CG . 16611 1 14 . 1 1 1 1 MET N N 15 121.961 0.100 . 1 . . . . 1 MET N . 16611 1 15 . 1 1 2 2 SER H H 1 8.404 0.003 . 1 . . . . 2 SER H . 16611 1 16 . 1 1 2 2 SER HA H 1 4.544 0.010 . 1 . . . . 2 SER HA . 16611 1 17 . 1 1 2 2 SER HB2 H 1 3.947 0.004 . 2 . . . . 2 SER HB2 . 16611 1 18 . 1 1 2 2 SER HB3 H 1 3.952 0.010 . 2 . . . . 2 SER HB3 . 16611 1 19 . 1 1 2 2 SER C C 13 174.523 0.010 . 1 . . . . 2 SER C . 16611 1 20 . 1 1 2 2 SER CA C 13 58.271 0.100 . 1 . . . . 2 SER CA . 16611 1 21 . 1 1 2 2 SER CB C 13 63.907 0.100 . 1 . . . . 2 SER CB . 16611 1 22 . 1 1 2 2 SER N N 15 116.474 0.101 . 1 . . . . 2 SER N . 16611 1 23 . 1 1 3 3 ASP H H 1 8.476 0.013 . 1 . . . . 3 ASP H . 16611 1 24 . 1 1 3 3 ASP HA H 1 4.626 0.001 . 1 . . . . 3 ASP HA . 16611 1 25 . 1 1 3 3 ASP HB2 H 1 2.736 0.017 . 1 . . . . 3 ASP HB2 . 16611 1 26 . 1 1 3 3 ASP HB3 H 1 2.736 0.017 . 1 . . . . 3 ASP HB3 . 16611 1 27 . 1 1 3 3 ASP C C 13 176.502 0.100 . 1 . . . . 3 ASP C . 16611 1 28 . 1 1 3 3 ASP CA C 13 54.902 0.100 . 1 . . . . 3 ASP CA . 16611 1 29 . 1 1 3 3 ASP CB C 13 41.305 0.216 . 1 . . . . 3 ASP CB . 16611 1 30 . 1 1 3 3 ASP N N 15 121.940 0.100 . 1 . . . . 3 ASP N . 16611 1 31 . 1 1 4 4 GLN H H 1 8.303 0.008 . 1 . . . . 4 GLN H . 16611 1 32 . 1 1 4 4 GLN HA H 1 4.337 0.021 . 1 . . . . 4 GLN HA . 16611 1 33 . 1 1 4 4 GLN HB2 H 1 2.232 0.001 . 2 . . . . 4 GLN HB2 . 16611 1 34 . 1 1 4 4 GLN HB3 H 1 2.044 0.010 . 2 . . . . 4 GLN HB3 . 16611 1 35 . 1 1 4 4 GLN HE21 H 1 7.650 0.014 . 1 . . . . 4 GLN HE21 . 16611 1 36 . 1 1 4 4 GLN HE22 H 1 7.007 0.023 . 1 . . . . 4 GLN HE22 . 16611 1 37 . 1 1 4 4 GLN HG2 H 1 2.408 0.010 . 2 . . . . 4 GLN HG2 . 16611 1 38 . 1 1 4 4 GLN HG3 H 1 2.411 0.004 . 2 . . . . 4 GLN HG3 . 16611 1 39 . 1 1 4 4 GLN C C 13 176.104 0.100 . 1 . . . . 4 GLN C . 16611 1 40 . 1 1 4 4 GLN CA C 13 56.016 0.100 . 1 . . . . 4 GLN CA . 16611 1 41 . 1 1 4 4 GLN CB C 13 29.494 0.100 . 1 . . . . 4 GLN CB . 16611 1 42 . 1 1 4 4 GLN CG C 13 33.822 0.053 . 1 . . . . 4 GLN CG . 16611 1 43 . 1 1 4 4 GLN N N 15 119.757 0.032 . 1 . . . . 4 GLN N . 16611 1 44 . 1 1 4 4 GLN NE2 N 15 112.205 0.046 . 1 . . . . 4 GLN NE2 . 16611 1 45 . 1 1 5 5 GLU H H 1 8.350 0.004 . 1 . . . . 5 GLU H . 16611 1 46 . 1 1 5 5 GLU HA H 1 4.290 0.015 . 1 . . . . 5 GLU HA . 16611 1 47 . 1 1 5 5 GLU HB2 H 1 2.021 0.100 . 2 . . . . 5 GLU HB2 . 16611 1 48 . 1 1 5 5 GLU HB3 H 1 2.027 0.016 . 2 . . . . 5 GLU HB3 . 16611 1 49 . 1 1 5 5 GLU HG2 H 1 2.304 0.027 . 2 . . . . 5 GLU HG2 . 16611 1 50 . 1 1 5 5 GLU HG3 H 1 2.301 0.020 . 2 . . . . 5 GLU HG3 . 16611 1 51 . 1 1 5 5 GLU C C 13 176.115 0.100 . 1 . . . . 5 GLU C . 16611 1 52 . 1 1 5 5 GLU CA C 13 56.706 0.105 . 1 . . . . 5 GLU CA . 16611 1 53 . 1 1 5 5 GLU CB C 13 30.173 0.100 . 1 . . . . 5 GLU CB . 16611 1 54 . 1 1 5 5 GLU CG C 13 31.370 0.100 . 1 . . . . 5 GLU CG . 16611 1 55 . 1 1 5 5 GLU N N 15 121.587 0.033 . 1 . . . . 5 GLU N . 16611 1 56 . 1 1 6 6 ALA H H 1 8.348 0.019 . 1 . . . . 6 ALA H . 16611 1 57 . 1 1 6 6 ALA HA H 1 4.335 0.005 . 1 . . . . 6 ALA HA . 16611 1 58 . 1 1 6 6 ALA HB1 H 1 1.417 0.001 . 1 . . . . 6 ALA HB1 . 16611 1 59 . 1 1 6 6 ALA HB2 H 1 1.417 0.001 . 1 . . . . 6 ALA HB2 . 16611 1 60 . 1 1 6 6 ALA HB3 H 1 1.417 0.001 . 1 . . . . 6 ALA HB3 . 16611 1 61 . 1 1 6 6 ALA C C 13 177.349 0.100 . 1 . . . . 6 ALA C . 16611 1 62 . 1 1 6 6 ALA CA C 13 52.464 0.120 . 1 . . . . 6 ALA CA . 16611 1 63 . 1 1 6 6 ALA CB C 13 19.140 0.100 . 1 . . . . 6 ALA CB . 16611 1 64 . 1 1 6 6 ALA N N 15 125.336 0.030 . 1 . . . . 6 ALA N . 16611 1 65 . 1 1 7 7 LYS H H 1 8.390 0.012 . 1 . . . . 7 LYS H . 16611 1 66 . 1 1 7 7 LYS HA H 1 4.644 0.007 . 1 . . . . 7 LYS HA . 16611 1 67 . 1 1 7 7 LYS HB2 H 1 1.873 0.017 . 1 . . . . 7 LYS HB2 . 16611 1 68 . 1 1 7 7 LYS HB3 H 1 1.873 0.017 . 1 . . . . 7 LYS HB3 . 16611 1 69 . 1 1 7 7 LYS HD2 H 1 1.724 0.001 . 2 . . . . 7 LYS HD2 . 16611 1 70 . 1 1 7 7 LYS HD3 H 1 1.757 0.025 . 2 . . . . 7 LYS HD3 . 16611 1 71 . 1 1 7 7 LYS HE2 H 1 3.044 0.007 . 2 . . . . 7 LYS HE2 . 16611 1 72 . 1 1 7 7 LYS HE3 H 1 3.034 0.100 . 2 . . . . 7 LYS HE3 . 16611 1 73 . 1 1 7 7 LYS HG2 H 1 1.502 0.009 . 2 . . . . 7 LYS HG2 . 16611 1 74 . 1 1 7 7 LYS HG3 H 1 1.503 0.010 . 2 . . . . 7 LYS HG3 . 16611 1 75 . 1 1 7 7 LYS C C 13 174.480 0.100 . 1 . . . . 7 LYS C . 16611 1 76 . 1 1 7 7 LYS CA C 13 54.119 0.109 . 1 . . . . 7 LYS CA . 16611 1 77 . 1 1 7 7 LYS CB C 13 32.755 0.068 . 1 . . . . 7 LYS CB . 16611 1 78 . 1 1 7 7 LYS CD C 13 29.043 0.100 . 1 . . . . 7 LYS CD . 16611 1 79 . 1 1 7 7 LYS CE C 13 42.203 0.047 . 1 . . . . 7 LYS CE . 16611 1 80 . 1 1 7 7 LYS CG C 13 24.694 0.100 . 1 . . . . 7 LYS CG . 16611 1 81 . 1 1 7 7 LYS N N 15 122.160 0.209 . 1 . . . . 7 LYS N . 16611 1 82 . 1 1 8 8 PRO HA H 1 4.527 0.020 . 1 . . . . 8 PRO HA . 16611 1 83 . 1 1 8 8 PRO HB2 H 1 2.372 0.009 . 2 . . . . 8 PRO HB2 . 16611 1 84 . 1 1 8 8 PRO HB3 H 1 1.969 0.025 . 2 . . . . 8 PRO HB3 . 16611 1 85 . 1 1 8 8 PRO HD2 H 1 3.877 0.013 . 2 . . . . 8 PRO HD2 . 16611 1 86 . 1 1 8 8 PRO HD3 H 1 3.676 0.013 . 2 . . . . 8 PRO HD3 . 16611 1 87 . 1 1 8 8 PRO HG2 H 1 2.068 0.005 . 2 . . . . 8 PRO HG2 . 16611 1 88 . 1 1 8 8 PRO HG3 H 1 2.073 0.002 . 2 . . . . 8 PRO HG3 . 16611 1 89 . 1 1 8 8 PRO C C 13 176.991 0.100 . 1 . . . . 8 PRO C . 16611 1 90 . 1 1 8 8 PRO CA C 13 63.289 0.100 . 1 . . . . 8 PRO CA . 16611 1 91 . 1 1 8 8 PRO CB C 13 32.206 0.078 . 1 . . . . 8 PRO CB . 16611 1 92 . 1 1 8 8 PRO CD C 13 50.707 0.046 . 1 . . . . 8 PRO CD . 16611 1 93 . 1 1 8 8 PRO CG C 13 27.622 0.056 . 1 . . . . 8 PRO CG . 16611 1 94 . 1 1 9 9 SER H H 1 8.682 0.004 . 1 . . . . 9 SER H . 16611 1 95 . 1 1 9 9 SER HA H 1 4.543 0.010 . 1 . . . . 9 SER HA . 16611 1 96 . 1 1 9 9 SER HB2 H 1 3.989 0.021 . 1 . . . . 9 SER HB2 . 16611 1 97 . 1 1 9 9 SER HB3 H 1 3.989 0.021 . 1 . . . . 9 SER HB3 . 16611 1 98 . 1 1 9 9 SER C C 13 175.095 0.100 . 1 . . . . 9 SER C . 16611 1 99 . 1 1 9 9 SER CA C 13 58.322 0.097 . 1 . . . . 9 SER CA . 16611 1 100 . 1 1 9 9 SER CB C 13 64.259 0.100 . 1 . . . . 9 SER CB . 16611 1 101 . 1 1 9 9 SER N N 15 116.894 0.031 . 1 . . . . 9 SER N . 16611 1 102 . 1 1 10 10 THR H H 1 8.319 0.004 . 1 . . . . 10 THR H . 16611 1 103 . 1 1 10 10 THR HA H 1 4.340 0.001 . 1 . . . . 10 THR HA . 16611 1 104 . 1 1 10 10 THR HB H 1 4.339 0.100 . 1 . . . . 10 THR HB . 16611 1 105 . 1 1 10 10 THR HG21 H 1 1.247 0.006 . 1 . . . . 10 THR HG21 . 16611 1 106 . 1 1 10 10 THR HG22 H 1 1.247 0.006 . 1 . . . . 10 THR HG22 . 16611 1 107 . 1 1 10 10 THR HG23 H 1 1.247 0.006 . 1 . . . . 10 THR HG23 . 16611 1 108 . 1 1 10 10 THR C C 13 174.690 0.100 . 1 . . . . 10 THR C . 16611 1 109 . 1 1 10 10 THR CA C 13 62.065 0.100 . 1 . . . . 10 THR CA . 16611 1 110 . 1 1 10 10 THR CB C 13 69.737 0.100 . 1 . . . . 10 THR CB . 16611 1 111 . 1 1 10 10 THR CG2 C 13 21.657 0.024 . 1 . . . . 10 THR CG2 . 16611 1 112 . 1 1 10 10 THR N N 15 115.721 0.035 . 1 . . . . 10 THR N . 16611 1 113 . 1 1 11 11 GLU H H 1 8.466 0.007 . 1 . . . . 11 GLU H . 16611 1 114 . 1 1 11 11 GLU HA H 1 4.330 0.005 . 1 . . . . 11 GLU HA . 16611 1 115 . 1 1 11 11 GLU HB2 H 1 2.057 0.100 . 1 . . . . 11 GLU HB2 . 16611 1 116 . 1 1 11 11 GLU HB3 H 1 2.057 0.100 . 1 . . . . 11 GLU HB3 . 16611 1 117 . 1 1 11 11 GLU HG2 H 1 2.296 0.017 . 2 . . . . 11 GLU HG2 . 16611 1 118 . 1 1 11 11 GLU HG3 H 1 2.306 0.011 . 2 . . . . 11 GLU HG3 . 16611 1 119 . 1 1 11 11 GLU C C 13 175.950 0.100 . 1 . . . . 11 GLU C . 16611 1 120 . 1 1 11 11 GLU CA C 13 56.755 0.100 . 1 . . . . 11 GLU CA . 16611 1 121 . 1 1 11 11 GLU CB C 13 30.240 0.100 . 1 . . . . 11 GLU CB . 16611 1 122 . 1 1 11 11 GLU CG C 13 36.275 0.107 . 1 . . . . 11 GLU CG . 16611 1 123 . 1 1 11 11 GLU N N 15 122.816 0.100 . 1 . . . . 11 GLU N . 16611 1 124 . 1 1 12 12 ASP H H 1 8.471 0.004 . 1 . . . . 12 ASP H . 16611 1 125 . 1 1 12 12 ASP HA H 1 4.666 0.100 . 1 . . . . 12 ASP HA . 16611 1 126 . 1 1 12 12 ASP HB2 H 1 2.796 0.005 . 2 . . . . 12 ASP HB2 . 16611 1 127 . 1 1 12 12 ASP HB3 H 1 2.799 0.100 . 2 . . . . 12 ASP HB3 . 16611 1 128 . 1 1 12 12 ASP C C 13 176.391 0.100 . 1 . . . . 12 ASP C . 16611 1 129 . 1 1 12 12 ASP CA C 13 54.018 0.100 . 1 . . . . 12 ASP CA . 16611 1 130 . 1 1 12 12 ASP CB C 13 41.680 0.100 . 1 . . . . 12 ASP CB . 16611 1 131 . 1 1 12 12 ASP N N 15 121.985 0.020 . 1 . . . . 12 ASP N . 16611 1 132 . 1 1 13 13 LEU H H 1 8.432 0.016 . 1 . . . . 13 LEU H . 16611 1 133 . 1 1 13 13 LEU HA H 1 4.385 0.023 . 1 . . . . 13 LEU HA . 16611 1 134 . 1 1 13 13 LEU HB2 H 1 1.701 0.018 . 2 . . . . 13 LEU HB2 . 16611 1 135 . 1 1 13 13 LEU HB3 H 1 1.711 0.013 . 2 . . . . 13 LEU HB3 . 16611 1 136 . 1 1 13 13 LEU HD11 H 1 0.927 0.012 . 2 . . . . 13 LEU HD11 . 16611 1 137 . 1 1 13 13 LEU HD12 H 1 0.927 0.012 . 2 . . . . 13 LEU HD12 . 16611 1 138 . 1 1 13 13 LEU HD13 H 1 0.927 0.012 . 2 . . . . 13 LEU HD13 . 16611 1 139 . 1 1 13 13 LEU HD21 H 1 0.883 0.010 . 2 . . . . 13 LEU HD21 . 16611 1 140 . 1 1 13 13 LEU HD22 H 1 0.883 0.010 . 2 . . . . 13 LEU HD22 . 16611 1 141 . 1 1 13 13 LEU HD23 H 1 0.883 0.010 . 2 . . . . 13 LEU HD23 . 16611 1 142 . 1 1 13 13 LEU HG H 1 1.675 0.003 . 1 . . . . 13 LEU HG . 16611 1 143 . 1 1 13 13 LEU C C 13 178.261 0.100 . 1 . . . . 13 LEU C . 16611 1 144 . 1 1 13 13 LEU CA C 13 55.445 0.100 . 1 . . . . 13 LEU CA . 16611 1 145 . 1 1 13 13 LEU CB C 13 42.374 0.100 . 1 . . . . 13 LEU CB . 16611 1 146 . 1 1 13 13 LEU CD1 C 13 25.076 0.100 . 2 . . . . 13 LEU CD1 . 16611 1 147 . 1 1 13 13 LEU CD2 C 13 23.312 0.188 . 2 . . . . 13 LEU CD2 . 16611 1 148 . 1 1 13 13 LEU CG C 13 27.111 0.050 . 1 . . . . 13 LEU CG . 16611 1 149 . 1 1 13 13 LEU N N 15 123.611 0.049 . 1 . . . . 13 LEU N . 16611 1 150 . 1 1 14 14 GLY H H 1 8.510 0.003 . 1 . . . . 14 GLY H . 16611 1 151 . 1 1 14 14 GLY HA2 H 1 3.968 0.007 . 1 . . . . 14 GLY HA2 . 16611 1 152 . 1 1 14 14 GLY HA3 H 1 3.968 0.007 . 1 . . . . 14 GLY HA3 . 16611 1 153 . 1 1 14 14 GLY C C 13 174.050 0.100 . 1 . . . . 14 GLY C . 16611 1 154 . 1 1 14 14 GLY CA C 13 45.554 0.050 . 1 . . . . 14 GLY CA . 16611 1 155 . 1 1 14 14 GLY N N 15 108.959 0.049 . 1 . . . . 14 GLY N . 16611 1 156 . 1 1 15 15 ASP H H 1 8.334 0.001 . 1 . . . . 15 ASP H . 16611 1 157 . 1 1 15 15 ASP HA H 1 4.639 0.017 . 1 . . . . 15 ASP HA . 16611 1 158 . 1 1 15 15 ASP HB2 H 1 2.692 0.012 . 2 . . . . 15 ASP HB2 . 16611 1 159 . 1 1 15 15 ASP HB3 H 1 2.718 0.010 . 2 . . . . 15 ASP HB3 . 16611 1 160 . 1 1 15 15 ASP C C 13 176.405 0.100 . 1 . . . . 15 ASP C . 16611 1 161 . 1 1 15 15 ASP CA C 13 54.490 0.093 . 1 . . . . 15 ASP CA . 16611 1 162 . 1 1 15 15 ASP CB C 13 41.394 0.125 . 1 . . . . 15 ASP CB . 16611 1 163 . 1 1 15 15 ASP N N 15 120.587 0.010 . 1 . . . . 15 ASP N . 16611 1 164 . 1 1 16 16 LYS H H 1 8.357 0.013 . 1 . . . . 16 LYS H . 16611 1 165 . 1 1 16 16 LYS HA H 1 4.349 0.016 . 1 . . . . 16 LYS HA . 16611 1 166 . 1 1 16 16 LYS HB2 H 1 1.883 0.010 . 1 . . . . 16 LYS HB2 . 16611 1 167 . 1 1 16 16 LYS HB3 H 1 1.883 0.010 . 1 . . . . 16 LYS HB3 . 16611 1 168 . 1 1 16 16 LYS HE2 H 1 3.267 0.010 . 2 . . . . 16 LYS HE2 . 16611 1 169 . 1 1 16 16 LYS HE3 H 1 3.272 0.010 . 2 . . . . 16 LYS HE3 . 16611 1 170 . 1 1 16 16 LYS HG2 H 1 1.726 0.012 . 2 . . . . 16 LYS HG2 . 16611 1 171 . 1 1 16 16 LYS HG3 H 1 1.726 0.010 . 2 . . . . 16 LYS HG3 . 16611 1 172 . 1 1 16 16 LYS C C 13 176.870 0.100 . 1 . . . . 16 LYS C . 16611 1 173 . 1 1 16 16 LYS CA C 13 56.455 0.024 . 1 . . . . 16 LYS CA . 16611 1 174 . 1 1 16 16 LYS CB C 13 29.553 0.100 . 1 . . . . 16 LYS CB . 16611 1 175 . 1 1 16 16 LYS CE C 13 43.522 0.100 . 1 . . . . 16 LYS CE . 16611 1 176 . 1 1 16 16 LYS CG C 13 27.062 0.100 . 1 . . . . 16 LYS CG . 16611 1 177 . 1 1 16 16 LYS N N 15 121.834 0.100 . 1 . . . . 16 LYS N . 16611 1 178 . 1 1 17 17 LYS H H 1 8.483 0.002 . 1 . . . . 17 LYS H . 16611 1 179 . 1 1 17 17 LYS HA H 1 4.333 0.013 . 1 . . . . 17 LYS HA . 16611 1 180 . 1 1 17 17 LYS HB2 H 1 1.860 0.010 . 2 . . . . 17 LYS HB2 . 16611 1 181 . 1 1 17 17 LYS HB3 H 1 1.838 0.010 . 2 . . . . 17 LYS HB3 . 16611 1 182 . 1 1 17 17 LYS HD2 H 1 1.715 0.010 . 1 . . . . 17 LYS HD2 . 16611 1 183 . 1 1 17 17 LYS HD3 H 1 1.715 0.010 . 1 . . . . 17 LYS HD3 . 16611 1 184 . 1 1 17 17 LYS HE2 H 1 3.042 0.019 . 2 . . . . 17 LYS HE2 . 16611 1 185 . 1 1 17 17 LYS HE3 H 1 3.042 0.017 . 2 . . . . 17 LYS HE3 . 16611 1 186 . 1 1 17 17 LYS HG2 H 1 1.471 0.100 . 2 . . . . 17 LYS HG2 . 16611 1 187 . 1 1 17 17 LYS HG3 H 1 1.471 0.019 . 2 . . . . 17 LYS HG3 . 16611 1 188 . 1 1 17 17 LYS C C 13 176.932 0.100 . 1 . . . . 17 LYS C . 16611 1 189 . 1 1 17 17 LYS CA C 13 56.962 0.100 . 1 . . . . 17 LYS CA . 16611 1 190 . 1 1 17 17 LYS CB C 13 32.743 0.081 . 1 . . . . 17 LYS CB . 16611 1 191 . 1 1 17 17 LYS CD C 13 29.046 0.100 . 1 . . . . 17 LYS CD . 16611 1 192 . 1 1 17 17 LYS CE C 13 42.311 0.015 . 1 . . . . 17 LYS CE . 16611 1 193 . 1 1 17 17 LYS CG C 13 24.683 0.137 . 1 . . . . 17 LYS CG . 16611 1 194 . 1 1 17 17 LYS N N 15 122.331 0.090 . 1 . . . . 17 LYS N . 16611 1 195 . 1 1 18 18 GLU H H 1 8.582 0.015 . 1 . . . . 18 GLU H . 16611 1 196 . 1 1 18 18 GLU HA H 1 4.339 0.019 . 1 . . . . 18 GLU HA . 16611 1 197 . 1 1 18 18 GLU HB2 H 1 2.083 0.010 . 2 . . . . 18 GLU HB2 . 16611 1 198 . 1 1 18 18 GLU HB3 H 1 2.089 0.017 . 2 . . . . 18 GLU HB3 . 16611 1 199 . 1 1 18 18 GLU HG2 H 1 2.316 0.013 . 2 . . . . 18 GLU HG2 . 16611 1 200 . 1 1 18 18 GLU HG3 H 1 2.293 0.010 . 2 . . . . 18 GLU HG3 . 16611 1 201 . 1 1 18 18 GLU C C 13 177.046 0.100 . 1 . . . . 18 GLU C . 16611 1 202 . 1 1 18 18 GLU CA C 13 56.843 0.100 . 1 . . . . 18 GLU CA . 16611 1 203 . 1 1 18 18 GLU CB C 13 30.458 0.118 . 1 . . . . 18 GLU CB . 16611 1 204 . 1 1 18 18 GLU CG C 13 36.354 0.013 . 1 . . . . 18 GLU CG . 16611 1 205 . 1 1 18 18 GLU N N 15 121.888 0.002 . 1 . . . . 18 GLU N . 16611 1 206 . 1 1 19 19 GLY H H 1 8.532 0.010 . 1 . . . . 19 GLY H . 16611 1 207 . 1 1 19 19 GLY HA2 H 1 4.055 0.011 . 2 . . . . 19 GLY HA2 . 16611 1 208 . 1 1 19 19 GLY HA3 H 1 4.045 0.019 . 2 . . . . 19 GLY HA3 . 16611 1 209 . 1 1 19 19 GLY C C 13 173.624 0.100 . 1 . . . . 19 GLY C . 16611 1 210 . 1 1 19 19 GLY CA C 13 45.348 0.100 . 1 . . . . 19 GLY CA . 16611 1 211 . 1 1 19 19 GLY N N 15 109.567 0.100 . 1 . . . . 19 GLY N . 16611 1 212 . 1 1 20 20 GLU H H 1 8.296 0.005 . 1 . . . . 20 GLU H . 16611 1 213 . 1 1 20 20 GLU HA H 1 4.355 0.021 . 1 . . . . 20 GLU HA . 16611 1 214 . 1 1 20 20 GLU HB2 H 1 1.967 0.023 . 2 . . . . 20 GLU HB2 . 16611 1 215 . 1 1 20 20 GLU HB3 H 1 1.960 0.015 . 2 . . . . 20 GLU HB3 . 16611 1 216 . 1 1 20 20 GLU HG2 H 1 2.266 0.010 . 1 . . . . 20 GLU HG2 . 16611 1 217 . 1 1 20 20 GLU HG3 H 1 2.266 0.010 . 1 . . . . 20 GLU HG3 . 16611 1 218 . 1 1 20 20 GLU C C 13 175.597 0.100 . 1 . . . . 20 GLU C . 16611 1 219 . 1 1 20 20 GLU CA C 13 56.902 0.059 . 1 . . . . 20 GLU CA . 16611 1 220 . 1 1 20 20 GLU CB C 13 30.541 0.133 . 1 . . . . 20 GLU CB . 16611 1 221 . 1 1 20 20 GLU CG C 13 36.508 0.100 . 1 . . . . 20 GLU CG . 16611 1 222 . 1 1 20 20 GLU N N 15 119.786 0.001 . 1 . . . . 20 GLU N . 16611 1 223 . 1 1 21 21 TYR H H 1 8.384 0.012 . 1 . . . . 21 TYR H . 16611 1 224 . 1 1 21 21 TYR HA H 1 5.081 0.016 . 1 . . . . 21 TYR HA . 16611 1 225 . 1 1 21 21 TYR HB2 H 1 2.631 0.012 . 2 . . . . 21 TYR HB2 . 16611 1 226 . 1 1 21 21 TYR HB3 H 1 2.627 0.020 . 2 . . . . 21 TYR HB3 . 16611 1 227 . 1 1 21 21 TYR HD1 H 1 7.278 0.010 . 3 . . . . 21 TYR HD1 . 16611 1 228 . 1 1 21 21 TYR HD2 H 1 7.278 0.010 . 3 . . . . 21 TYR HD2 . 16611 1 229 . 1 1 21 21 TYR HE1 H 1 6.883 0.014 . 3 . . . . 21 TYR HE1 . 16611 1 230 . 1 1 21 21 TYR HE2 H 1 6.883 0.014 . 3 . . . . 21 TYR HE2 . 16611 1 231 . 1 1 21 21 TYR C C 13 176.288 0.100 . 1 . . . . 21 TYR C . 16611 1 232 . 1 1 21 21 TYR CA C 13 57.915 0.100 . 1 . . . . 21 TYR CA . 16611 1 233 . 1 1 21 21 TYR CB C 13 41.687 0.136 . 1 . . . . 21 TYR CB . 16611 1 234 . 1 1 21 21 TYR CD1 C 13 132.123 0.100 . 3 . . . . 21 TYR CD1 . 16611 1 235 . 1 1 21 21 TYR CD2 C 13 132.123 0.100 . 3 . . . . 21 TYR CD2 . 16611 1 236 . 1 1 21 21 TYR CE1 C 13 118.585 0.100 . 3 . . . . 21 TYR CE1 . 16611 1 237 . 1 1 21 21 TYR CE2 C 13 118.585 0.100 . 3 . . . . 21 TYR CE2 . 16611 1 238 . 1 1 21 21 TYR N N 15 118.798 0.131 . 1 . . . . 21 TYR N . 16611 1 239 . 1 1 22 22 ILE H H 1 9.174 0.010 . 1 . . . . 22 ILE H . 16611 1 240 . 1 1 22 22 ILE HA H 1 4.903 0.014 . 1 . . . . 22 ILE HA . 16611 1 241 . 1 1 22 22 ILE HB H 1 1.714 0.021 . 1 . . . . 22 ILE HB . 16611 1 242 . 1 1 22 22 ILE HD11 H 1 0.552 0.011 . 1 . . . . 22 ILE HD11 . 16611 1 243 . 1 1 22 22 ILE HD12 H 1 0.552 0.011 . 1 . . . . 22 ILE HD12 . 16611 1 244 . 1 1 22 22 ILE HD13 H 1 0.552 0.011 . 1 . . . . 22 ILE HD13 . 16611 1 245 . 1 1 22 22 ILE HG12 H 1 1.340 0.023 . 2 . . . . 22 ILE HG12 . 16611 1 246 . 1 1 22 22 ILE HG13 H 1 1.419 0.023 . 2 . . . . 22 ILE HG13 . 16611 1 247 . 1 1 22 22 ILE HG21 H 1 0.943 0.027 . 1 . . . . 22 ILE HG21 . 16611 1 248 . 1 1 22 22 ILE HG22 H 1 0.943 0.027 . 1 . . . . 22 ILE HG22 . 16611 1 249 . 1 1 22 22 ILE HG23 H 1 0.943 0.027 . 1 . . . . 22 ILE HG23 . 16611 1 250 . 1 1 22 22 ILE C C 13 173.666 0.100 . 1 . . . . 22 ILE C . 16611 1 251 . 1 1 22 22 ILE CA C 13 59.768 0.100 . 1 . . . . 22 ILE CA . 16611 1 252 . 1 1 22 22 ILE CB C 13 43.023 0.100 . 1 . . . . 22 ILE CB . 16611 1 253 . 1 1 22 22 ILE CD1 C 13 14.927 0.060 . 1 . . . . 22 ILE CD1 . 16611 1 254 . 1 1 22 22 ILE CG1 C 13 25.964 0.100 . 1 . . . . 22 ILE CG1 . 16611 1 255 . 1 1 22 22 ILE CG2 C 13 18.299 0.203 . 1 . . . . 22 ILE CG2 . 16611 1 256 . 1 1 22 22 ILE N N 15 116.376 0.051 . 1 . . . . 22 ILE N . 16611 1 257 . 1 1 23 23 LYS H H 1 8.664 0.021 . 1 . . . . 23 LYS H . 16611 1 258 . 1 1 23 23 LYS HA H 1 5.428 0.017 . 1 . . . . 23 LYS HA . 16611 1 259 . 1 1 23 23 LYS HB2 H 1 1.882 0.015 . 2 . . . . 23 LYS HB2 . 16611 1 260 . 1 1 23 23 LYS HB3 H 1 1.898 0.023 . 2 . . . . 23 LYS HB3 . 16611 1 261 . 1 1 23 23 LYS HD2 H 1 1.677 0.024 . 2 . . . . 23 LYS HD2 . 16611 1 262 . 1 1 23 23 LYS HD3 H 1 1.649 0.020 . 2 . . . . 23 LYS HD3 . 16611 1 263 . 1 1 23 23 LYS HG2 H 1 1.229 0.013 . 2 . . . . 23 LYS HG2 . 16611 1 264 . 1 1 23 23 LYS HG3 H 1 1.224 0.017 . 2 . . . . 23 LYS HG3 . 16611 1 265 . 1 1 23 23 LYS C C 13 175.616 0.100 . 1 . . . . 23 LYS C . 16611 1 266 . 1 1 23 23 LYS CA C 13 54.612 0.100 . 1 . . . . 23 LYS CA . 16611 1 267 . 1 1 23 23 LYS CB C 13 34.028 0.085 . 1 . . . . 23 LYS CB . 16611 1 268 . 1 1 23 23 LYS CD C 13 29.527 0.086 . 1 . . . . 23 LYS CD . 16611 1 269 . 1 1 23 23 LYS CG C 13 25.770 0.123 . 1 . . . . 23 LYS CG . 16611 1 270 . 1 1 23 23 LYS N N 15 124.182 0.028 . 1 . . . . 23 LYS N . 16611 1 271 . 1 1 24 24 LEU H H 1 9.210 0.012 . 1 . . . . 24 LEU H . 16611 1 272 . 1 1 24 24 LEU HA H 1 5.076 0.022 . 1 . . . . 24 LEU HA . 16611 1 273 . 1 1 24 24 LEU HB2 H 1 1.506 0.016 . 2 . . . . 24 LEU HB2 . 16611 1 274 . 1 1 24 24 LEU HB3 H 1 1.506 0.014 . 2 . . . . 24 LEU HB3 . 16611 1 275 . 1 1 24 24 LEU HD11 H 1 0.896 0.018 . 2 . . . . 24 LEU HD11 . 16611 1 276 . 1 1 24 24 LEU HD12 H 1 0.896 0.018 . 2 . . . . 24 LEU HD12 . 16611 1 277 . 1 1 24 24 LEU HD13 H 1 0.896 0.018 . 2 . . . . 24 LEU HD13 . 16611 1 278 . 1 1 24 24 LEU HD21 H 1 0.947 0.006 . 2 . . . . 24 LEU HD21 . 16611 1 279 . 1 1 24 24 LEU HD22 H 1 0.947 0.006 . 2 . . . . 24 LEU HD22 . 16611 1 280 . 1 1 24 24 LEU HD23 H 1 0.947 0.006 . 2 . . . . 24 LEU HD23 . 16611 1 281 . 1 1 24 24 LEU HG H 1 0.683 0.022 . 1 . . . . 24 LEU HG . 16611 1 282 . 1 1 24 24 LEU C C 13 175.933 0.100 . 1 . . . . 24 LEU C . 16611 1 283 . 1 1 24 24 LEU CA C 13 52.846 0.100 . 1 . . . . 24 LEU CA . 16611 1 284 . 1 1 24 24 LEU CB C 13 47.102 0.100 . 1 . . . . 24 LEU CB . 16611 1 285 . 1 1 24 24 LEU CD1 C 13 24.060 0.188 . 2 . . . . 24 LEU CD1 . 16611 1 286 . 1 1 24 24 LEU CD2 C 13 24.200 0.100 . 2 . . . . 24 LEU CD2 . 16611 1 287 . 1 1 24 24 LEU CG C 13 26.524 0.100 . 1 . . . . 24 LEU CG . 16611 1 288 . 1 1 24 24 LEU N N 15 124.384 0.121 . 1 . . . . 24 LEU N . 16611 1 289 . 1 1 25 25 LYS H H 1 8.724 0.006 . 1 . . . . 25 LYS H . 16611 1 290 . 1 1 25 25 LYS HA H 1 4.884 0.028 . 1 . . . . 25 LYS HA . 16611 1 291 . 1 1 25 25 LYS HB2 H 1 1.678 0.018 . 2 . . . . 25 LYS HB2 . 16611 1 292 . 1 1 25 25 LYS HB3 H 1 1.659 0.014 . 2 . . . . 25 LYS HB3 . 16611 1 293 . 1 1 25 25 LYS HD2 H 1 1.639 0.005 . 2 . . . . 25 LYS HD2 . 16611 1 294 . 1 1 25 25 LYS HD3 H 1 1.604 0.010 . 2 . . . . 25 LYS HD3 . 16611 1 295 . 1 1 25 25 LYS HE2 H 1 2.850 0.012 . 2 . . . . 25 LYS HE2 . 16611 1 296 . 1 1 25 25 LYS HE3 H 1 2.865 0.027 . 2 . . . . 25 LYS HE3 . 16611 1 297 . 1 1 25 25 LYS HG2 H 1 1.201 0.018 . 2 . . . . 25 LYS HG2 . 16611 1 298 . 1 1 25 25 LYS HG3 H 1 1.221 0.013 . 2 . . . . 25 LYS HG3 . 16611 1 299 . 1 1 25 25 LYS C C 13 174.156 0.100 . 1 . . . . 25 LYS C . 16611 1 300 . 1 1 25 25 LYS CA C 13 55.322 0.100 . 1 . . . . 25 LYS CA . 16611 1 301 . 1 1 25 25 LYS CB C 13 34.893 0.100 . 1 . . . . 25 LYS CB . 16611 1 302 . 1 1 25 25 LYS CD C 13 29.476 0.100 . 1 . . . . 25 LYS CD . 16611 1 303 . 1 1 25 25 LYS CE C 13 41.719 0.113 . 1 . . . . 25 LYS CE . 16611 1 304 . 1 1 25 25 LYS CG C 13 25.444 0.079 . 1 . . . . 25 LYS CG . 16611 1 305 . 1 1 25 25 LYS N N 15 120.892 0.051 . 1 . . . . 25 LYS N . 16611 1 306 . 1 1 26 26 VAL H H 1 9.183 0.004 . 1 . . . . 26 VAL H . 16611 1 307 . 1 1 26 26 VAL HA H 1 5.158 0.002 . 1 . . . . 26 VAL HA . 16611 1 308 . 1 1 26 26 VAL HB H 1 2.330 0.013 . 1 . . . . 26 VAL HB . 16611 1 309 . 1 1 26 26 VAL HG11 H 1 0.985 0.019 . 2 . . . . 26 VAL HG11 . 16611 1 310 . 1 1 26 26 VAL HG12 H 1 0.985 0.019 . 2 . . . . 26 VAL HG12 . 16611 1 311 . 1 1 26 26 VAL HG13 H 1 0.985 0.019 . 2 . . . . 26 VAL HG13 . 16611 1 312 . 1 1 26 26 VAL HG21 H 1 0.402 0.015 . 2 . . . . 26 VAL HG21 . 16611 1 313 . 1 1 26 26 VAL HG22 H 1 0.402 0.015 . 2 . . . . 26 VAL HG22 . 16611 1 314 . 1 1 26 26 VAL HG23 H 1 0.402 0.015 . 2 . . . . 26 VAL HG23 . 16611 1 315 . 1 1 26 26 VAL C C 13 175.962 0.100 . 1 . . . . 26 VAL C . 16611 1 316 . 1 1 26 26 VAL CA C 13 61.203 0.100 . 1 . . . . 26 VAL CA . 16611 1 317 . 1 1 26 26 VAL CB C 13 32.675 0.019 . 1 . . . . 26 VAL CB . 16611 1 318 . 1 1 26 26 VAL CG1 C 13 22.862 0.276 . 2 . . . . 26 VAL CG1 . 16611 1 319 . 1 1 26 26 VAL CG2 C 13 23.221 0.109 . 2 . . . . 26 VAL CG2 . 16611 1 320 . 1 1 26 26 VAL N N 15 124.212 0.065 . 1 . . . . 26 VAL N . 16611 1 321 . 1 1 27 27 ILE H H 1 9.079 0.012 . 1 . . . . 27 ILE H . 16611 1 322 . 1 1 27 27 ILE HA H 1 5.084 0.015 . 1 . . . . 27 ILE HA . 16611 1 323 . 1 1 27 27 ILE HB H 1 1.818 0.007 . 1 . . . . 27 ILE HB . 16611 1 324 . 1 1 27 27 ILE HD11 H 1 0.933 0.002 . 1 . . . . 27 ILE HD11 . 16611 1 325 . 1 1 27 27 ILE HD12 H 1 0.933 0.002 . 1 . . . . 27 ILE HD12 . 16611 1 326 . 1 1 27 27 ILE HD13 H 1 0.933 0.002 . 1 . . . . 27 ILE HD13 . 16611 1 327 . 1 1 27 27 ILE HG12 H 1 1.129 0.017 . 1 . . . . 27 ILE HG12 . 16611 1 328 . 1 1 27 27 ILE HG13 H 1 1.129 0.017 . 1 . . . . 27 ILE HG13 . 16611 1 329 . 1 1 27 27 ILE HG21 H 1 1.025 0.014 . 1 . . . . 27 ILE HG21 . 16611 1 330 . 1 1 27 27 ILE HG22 H 1 1.025 0.014 . 1 . . . . 27 ILE HG22 . 16611 1 331 . 1 1 27 27 ILE HG23 H 1 1.025 0.014 . 1 . . . . 27 ILE HG23 . 16611 1 332 . 1 1 27 27 ILE C C 13 175.890 0.100 . 1 . . . . 27 ILE C . 16611 1 333 . 1 1 27 27 ILE CA C 13 60.359 0.100 . 1 . . . . 27 ILE CA . 16611 1 334 . 1 1 27 27 ILE CB C 13 40.274 0.130 . 1 . . . . 27 ILE CB . 16611 1 335 . 1 1 27 27 ILE CD1 C 13 13.710 0.081 . 1 . . . . 27 ILE CD1 . 16611 1 336 . 1 1 27 27 ILE CG1 C 13 27.508 0.139 . 1 . . . . 27 ILE CG1 . 16611 1 337 . 1 1 27 27 ILE CG2 C 13 17.242 0.065 . 1 . . . . 27 ILE CG2 . 16611 1 338 . 1 1 27 27 ILE N N 15 127.798 0.110 . 1 . . . . 27 ILE N . 16611 1 339 . 1 1 28 28 GLY H H 1 8.598 0.014 . 1 . . . . 28 GLY H . 16611 1 340 . 1 1 28 28 GLY HA2 H 1 3.762 0.004 . 2 . . . . 28 GLY HA2 . 16611 1 341 . 1 1 28 28 GLY HA3 H 1 3.764 0.016 . 2 . . . . 28 GLY HA3 . 16611 1 342 . 1 1 28 28 GLY C C 13 175.420 0.100 . 1 . . . . 28 GLY C . 16611 1 343 . 1 1 28 28 GLY CA C 13 44.160 0.104 . 1 . . . . 28 GLY CA . 16611 1 344 . 1 1 28 28 GLY N N 15 113.202 0.117 . 1 . . . . 28 GLY N . 16611 1 345 . 1 1 29 29 GLN H H 1 8.851 0.011 . 1 . . . . 29 GLN H . 16611 1 346 . 1 1 29 29 GLN HA H 1 4.182 0.017 . 1 . . . . 29 GLN HA . 16611 1 347 . 1 1 29 29 GLN HB2 H 1 2.150 0.014 . 2 . . . . 29 GLN HB2 . 16611 1 348 . 1 1 29 29 GLN HB3 H 1 2.147 0.002 . 2 . . . . 29 GLN HB3 . 16611 1 349 . 1 1 29 29 GLN HE21 H 1 7.744 0.015 . 1 . . . . 29 GLN HE21 . 16611 1 350 . 1 1 29 29 GLN HE22 H 1 7.080 0.014 . 1 . . . . 29 GLN HE22 . 16611 1 351 . 1 1 29 29 GLN HG2 H 1 2.463 0.008 . 2 . . . . 29 GLN HG2 . 16611 1 352 . 1 1 29 29 GLN HG3 H 1 2.461 0.006 . 2 . . . . 29 GLN HG3 . 16611 1 353 . 1 1 29 29 GLN C C 13 176.039 0.100 . 1 . . . . 29 GLN C . 16611 1 354 . 1 1 29 29 GLN CA C 13 57.961 0.071 . 1 . . . . 29 GLN CA . 16611 1 355 . 1 1 29 29 GLN CB C 13 28.818 0.100 . 1 . . . . 29 GLN CB . 16611 1 356 . 1 1 29 29 GLN CG C 13 34.505 0.100 . 1 . . . . 29 GLN CG . 16611 1 357 . 1 1 29 29 GLN N N 15 120.656 0.052 . 1 . . . . 29 GLN N . 16611 1 358 . 1 1 29 29 GLN NE2 N 15 114.163 0.079 . 1 . . . . 29 GLN NE2 . 16611 1 359 . 1 1 30 30 ASP H H 1 8.426 0.010 . 1 . . . . 30 ASP H . 16611 1 360 . 1 1 30 30 ASP HA H 1 4.625 0.012 . 1 . . . . 30 ASP HA . 16611 1 361 . 1 1 30 30 ASP HB2 H 1 3.038 0.011 . 2 . . . . 30 ASP HB2 . 16611 1 362 . 1 1 30 30 ASP HB3 H 1 2.716 0.013 . 2 . . . . 30 ASP HB3 . 16611 1 363 . 1 1 30 30 ASP C C 13 176.317 0.100 . 1 . . . . 30 ASP C . 16611 1 364 . 1 1 30 30 ASP CA C 13 53.606 0.082 . 1 . . . . 30 ASP CA . 16611 1 365 . 1 1 30 30 ASP CB C 13 40.012 0.131 . 1 . . . . 30 ASP CB . 16611 1 366 . 1 1 30 30 ASP N N 15 118.476 0.051 . 1 . . . . 30 ASP N . 16611 1 367 . 1 1 31 31 SER H H 1 8.043 0.015 . 1 . . . . 31 SER H . 16611 1 368 . 1 1 31 31 SER HA H 1 4.167 0.024 . 1 . . . . 31 SER HA . 16611 1 369 . 1 1 31 31 SER HB2 H 1 4.051 0.010 . 1 . . . . 31 SER HB2 . 16611 1 370 . 1 1 31 31 SER HB3 H 1 4.051 0.010 . 1 . . . . 31 SER HB3 . 16611 1 371 . 1 1 31 31 SER C C 13 173.536 0.100 . 1 . . . . 31 SER C . 16611 1 372 . 1 1 31 31 SER CA C 13 60.586 0.100 . 1 . . . . 31 SER CA . 16611 1 373 . 1 1 31 31 SER CB C 13 62.570 0.157 . 1 . . . . 31 SER CB . 16611 1 374 . 1 1 31 31 SER N N 15 111.074 0.074 . 1 . . . . 31 SER N . 16611 1 375 . 1 1 32 32 SER H H 1 8.194 0.010 . 1 . . . . 32 SER H . 16611 1 376 . 1 1 32 32 SER HA H 1 4.369 0.009 . 1 . . . . 32 SER HA . 16611 1 377 . 1 1 32 32 SER HB2 H 1 3.974 0.023 . 2 . . . . 32 SER HB2 . 16611 1 378 . 1 1 32 32 SER HB3 H 1 3.948 0.014 . 2 . . . . 32 SER HB3 . 16611 1 379 . 1 1 32 32 SER C C 13 173.696 0.100 . 1 . . . . 32 SER C . 16611 1 380 . 1 1 32 32 SER CA C 13 58.927 0.100 . 1 . . . . 32 SER CA . 16611 1 381 . 1 1 32 32 SER CB C 13 64.010 0.017 . 1 . . . . 32 SER CB . 16611 1 382 . 1 1 32 32 SER N N 15 117.712 0.077 . 1 . . . . 32 SER N . 16611 1 383 . 1 1 33 33 GLU H H 1 8.730 0.010 . 1 . . . . 33 GLU H . 16611 1 384 . 1 1 33 33 GLU HA H 1 5.331 0.012 . 1 . . . . 33 GLU HA . 16611 1 385 . 1 1 33 33 GLU HB2 H 1 2.139 0.005 . 2 . . . . 33 GLU HB2 . 16611 1 386 . 1 1 33 33 GLU HB3 H 1 2.126 0.012 . 2 . . . . 33 GLU HB3 . 16611 1 387 . 1 1 33 33 GLU HG2 H 1 2.338 0.011 . 2 . . . . 33 GLU HG2 . 16611 1 388 . 1 1 33 33 GLU HG3 H 1 2.338 0.013 . 2 . . . . 33 GLU HG3 . 16611 1 389 . 1 1 33 33 GLU C C 13 175.238 0.100 . 1 . . . . 33 GLU C . 16611 1 390 . 1 1 33 33 GLU CA C 13 55.324 0.100 . 1 . . . . 33 GLU CA . 16611 1 391 . 1 1 33 33 GLU CB C 13 32.404 0.100 . 1 . . . . 33 GLU CB . 16611 1 392 . 1 1 33 33 GLU CG C 13 36.389 0.143 . 1 . . . . 33 GLU CG . 16611 1 393 . 1 1 33 33 GLU N N 15 121.750 0.029 . 1 . . . . 33 GLU N . 16611 1 394 . 1 1 34 34 ILE H H 1 8.724 0.014 . 1 . . . . 34 ILE H . 16611 1 395 . 1 1 34 34 ILE HA H 1 4.434 0.005 . 1 . . . . 34 ILE HA . 16611 1 396 . 1 1 34 34 ILE HB H 1 1.930 0.019 . 1 . . . . 34 ILE HB . 16611 1 397 . 1 1 34 34 ILE HD11 H 1 0.790 0.014 . 1 . . . . 34 ILE HD11 . 16611 1 398 . 1 1 34 34 ILE HD12 H 1 0.790 0.014 . 1 . . . . 34 ILE HD12 . 16611 1 399 . 1 1 34 34 ILE HD13 H 1 0.790 0.014 . 1 . . . . 34 ILE HD13 . 16611 1 400 . 1 1 34 34 ILE HG12 H 1 1.251 0.017 . 2 . . . . 34 ILE HG12 . 16611 1 401 . 1 1 34 34 ILE HG13 H 1 1.234 0.030 . 2 . . . . 34 ILE HG13 . 16611 1 402 . 1 1 34 34 ILE HG21 H 1 0.717 0.012 . 1 . . . . 34 ILE HG21 . 16611 1 403 . 1 1 34 34 ILE HG22 H 1 0.717 0.012 . 1 . . . . 34 ILE HG22 . 16611 1 404 . 1 1 34 34 ILE HG23 H 1 0.717 0.012 . 1 . . . . 34 ILE HG23 . 16611 1 405 . 1 1 34 34 ILE C C 13 174.250 0.100 . 1 . . . . 34 ILE C . 16611 1 406 . 1 1 34 34 ILE CA C 13 60.318 0.100 . 1 . . . . 34 ILE CA . 16611 1 407 . 1 1 34 34 ILE CB C 13 40.984 0.100 . 1 . . . . 34 ILE CB . 16611 1 408 . 1 1 34 34 ILE CD1 C 13 12.734 0.076 . 1 . . . . 34 ILE CD1 . 16611 1 409 . 1 1 34 34 ILE CG1 C 13 27.803 0.193 . 1 . . . . 34 ILE CG1 . 16611 1 410 . 1 1 34 34 ILE CG2 C 13 18.611 0.079 . 1 . . . . 34 ILE CG2 . 16611 1 411 . 1 1 34 34 ILE N N 15 124.113 0.077 . 1 . . . . 34 ILE N . 16611 1 412 . 1 1 35 35 HIS H H 1 8.795 0.016 . 1 . . . . 35 HIS H . 16611 1 413 . 1 1 35 35 HIS HA H 1 5.736 0.002 . 1 . . . . 35 HIS HA . 16611 1 414 . 1 1 35 35 HIS HB2 H 1 3.209 0.027 . 2 . . . . 35 HIS HB2 . 16611 1 415 . 1 1 35 35 HIS HB3 H 1 2.889 0.100 . 2 . . . . 35 HIS HB3 . 16611 1 416 . 1 1 35 35 HIS HD2 H 1 7.101 0.016 . 1 . . . . 35 HIS HD2 . 16611 1 417 . 1 1 35 35 HIS C C 13 173.751 0.100 . 1 . . . . 35 HIS C . 16611 1 418 . 1 1 35 35 HIS CA C 13 54.554 0.100 . 1 . . . . 35 HIS CA . 16611 1 419 . 1 1 35 35 HIS CB C 13 32.763 0.100 . 1 . . . . 35 HIS CB . 16611 1 420 . 1 1 35 35 HIS CD2 C 13 119.824 0.100 . 1 . . . . 35 HIS CD2 . 16611 1 421 . 1 1 35 35 HIS N N 15 126.170 0.100 . 1 . . . . 35 HIS N . 16611 1 422 . 1 1 36 36 PHE H H 1 9.258 0.016 . 1 . . . . 36 PHE H . 16611 1 423 . 1 1 36 36 PHE HA H 1 5.527 0.003 . 1 . . . . 36 PHE HA . 16611 1 424 . 1 1 36 36 PHE HB2 H 1 2.896 0.026 . 2 . . . . 36 PHE HB2 . 16611 1 425 . 1 1 36 36 PHE HB3 H 1 2.605 0.018 . 2 . . . . 36 PHE HB3 . 16611 1 426 . 1 1 36 36 PHE HD1 H 1 7.265 0.022 . 3 . . . . 36 PHE HD1 . 16611 1 427 . 1 1 36 36 PHE HD2 H 1 7.265 0.022 . 3 . . . . 36 PHE HD2 . 16611 1 428 . 1 1 36 36 PHE C C 13 174.934 0.100 . 1 . . . . 36 PHE C . 16611 1 429 . 1 1 36 36 PHE CA C 13 56.100 0.100 . 1 . . . . 36 PHE CA . 16611 1 430 . 1 1 36 36 PHE CB C 13 44.630 0.011 . 1 . . . . 36 PHE CB . 16611 1 431 . 1 1 36 36 PHE CD1 C 13 132.123 0.100 . 3 . . . . 36 PHE CD1 . 16611 1 432 . 1 1 36 36 PHE CD2 C 13 132.123 0.100 . 3 . . . . 36 PHE CD2 . 16611 1 433 . 1 1 36 36 PHE N N 15 119.358 0.109 . 1 . . . . 36 PHE N . 16611 1 434 . 1 1 37 37 LYS H H 1 9.044 0.100 . 1 . . . . 37 LYS H . 16611 1 435 . 1 1 37 37 LYS HA H 1 4.372 0.045 . 1 . . . . 37 LYS HA . 16611 1 436 . 1 1 37 37 LYS HB2 H 1 1.721 0.020 . 2 . . . . 37 LYS HB2 . 16611 1 437 . 1 1 37 37 LYS HB3 H 1 1.736 0.027 . 2 . . . . 37 LYS HB3 . 16611 1 438 . 1 1 37 37 LYS HD2 H 1 1.495 0.100 . 2 . . . . 37 LYS HD2 . 16611 1 439 . 1 1 37 37 LYS HD3 H 1 1.507 0.014 . 2 . . . . 37 LYS HD3 . 16611 1 440 . 1 1 37 37 LYS HE2 H 1 2.716 0.017 . 2 . . . . 37 LYS HE2 . 16611 1 441 . 1 1 37 37 LYS HE3 H 1 2.721 0.009 . 2 . . . . 37 LYS HE3 . 16611 1 442 . 1 1 37 37 LYS HG2 H 1 1.373 0.026 . 2 . . . . 37 LYS HG2 . 16611 1 443 . 1 1 37 37 LYS HG3 H 1 1.385 0.024 . 2 . . . . 37 LYS HG3 . 16611 1 444 . 1 1 37 37 LYS C C 13 174.935 0.100 . 1 . . . . 37 LYS C . 16611 1 445 . 1 1 37 37 LYS CA C 13 55.705 0.100 . 1 . . . . 37 LYS CA . 16611 1 446 . 1 1 37 37 LYS CB C 13 33.083 0.319 . 1 . . . . 37 LYS CB . 16611 1 447 . 1 1 37 37 LYS CD C 13 30.136 0.100 . 1 . . . . 37 LYS CD . 16611 1 448 . 1 1 37 37 LYS CE C 13 42.141 0.035 . 1 . . . . 37 LYS CE . 16611 1 449 . 1 1 37 37 LYS CG C 13 26.562 0.100 . 1 . . . . 37 LYS CG . 16611 1 450 . 1 1 37 37 LYS N N 15 122.493 0.100 . 1 . . . . 37 LYS N . 16611 1 451 . 1 1 38 38 VAL H H 1 9.217 0.005 . 1 . . . . 38 VAL H . 16611 1 452 . 1 1 38 38 VAL HA H 1 5.078 0.031 . 1 . . . . 38 VAL HA . 16611 1 453 . 1 1 38 38 VAL HB H 1 2.112 0.024 . 1 . . . . 38 VAL HB . 16611 1 454 . 1 1 38 38 VAL HG11 H 1 0.946 0.022 . 2 . . . . 38 VAL HG11 . 16611 1 455 . 1 1 38 38 VAL HG12 H 1 0.946 0.022 . 2 . . . . 38 VAL HG12 . 16611 1 456 . 1 1 38 38 VAL HG13 H 1 0.946 0.022 . 2 . . . . 38 VAL HG13 . 16611 1 457 . 1 1 38 38 VAL HG21 H 1 0.945 0.023 . 2 . . . . 38 VAL HG21 . 16611 1 458 . 1 1 38 38 VAL HG22 H 1 0.945 0.023 . 2 . . . . 38 VAL HG22 . 16611 1 459 . 1 1 38 38 VAL HG23 H 1 0.945 0.023 . 2 . . . . 38 VAL HG23 . 16611 1 460 . 1 1 38 38 VAL CA C 13 59.075 0.100 . 1 . . . . 38 VAL CA . 16611 1 461 . 1 1 38 38 VAL CB C 13 35.719 0.252 . 1 . . . . 38 VAL CB . 16611 1 462 . 1 1 38 38 VAL CG1 C 13 21.342 0.195 . 2 . . . . 38 VAL CG1 . 16611 1 463 . 1 1 38 38 VAL CG2 C 13 21.334 0.159 . 2 . . . . 38 VAL CG2 . 16611 1 464 . 1 1 38 38 VAL N N 15 120.508 0.106 . 1 . . . . 38 VAL N . 16611 1 465 . 1 1 39 39 LYS H H 1 8.639 0.035 . 1 . . . . 39 LYS H . 16611 1 466 . 1 1 39 39 LYS HA H 1 3.929 0.018 . 1 . . . . 39 LYS HA . 16611 1 467 . 1 1 39 39 LYS HB2 H 1 1.771 0.037 . 2 . . . . 39 LYS HB2 . 16611 1 468 . 1 1 39 39 LYS HB3 H 1 1.746 0.010 . 2 . . . . 39 LYS HB3 . 16611 1 469 . 1 1 39 39 LYS HE2 H 1 3.201 0.048 . 2 . . . . 39 LYS HE2 . 16611 1 470 . 1 1 39 39 LYS HE3 H 1 3.230 0.050 . 2 . . . . 39 LYS HE3 . 16611 1 471 . 1 1 39 39 LYS HG2 H 1 1.656 0.019 . 2 . . . . 39 LYS HG2 . 16611 1 472 . 1 1 39 39 LYS HG3 H 1 1.661 0.022 . 2 . . . . 39 LYS HG3 . 16611 1 473 . 1 1 39 39 LYS C C 13 179.170 0.100 . 1 . . . . 39 LYS C . 16611 1 474 . 1 1 39 39 LYS CA C 13 57.211 0.086 . 1 . . . . 39 LYS CA . 16611 1 475 . 1 1 39 39 LYS CB C 13 30.821 0.100 . 1 . . . . 39 LYS CB . 16611 1 476 . 1 1 39 39 LYS CE C 13 43.683 0.100 . 1 . . . . 39 LYS CE . 16611 1 477 . 1 1 39 39 LYS CG C 13 27.243 0.117 . 1 . . . . 39 LYS CG . 16611 1 478 . 1 1 39 39 LYS N N 15 124.142 0.100 . 1 . . . . 39 LYS N . 16611 1 479 . 1 1 40 40 MET H H 1 8.544 0.011 . 1 . . . . 40 MET H . 16611 1 480 . 1 1 40 40 MET HA H 1 4.218 0.015 . 1 . . . . 40 MET HA . 16611 1 481 . 1 1 40 40 MET HB2 H 1 2.216 0.013 . 2 . . . . 40 MET HB2 . 16611 1 482 . 1 1 40 40 MET HB3 H 1 2.221 0.015 . 2 . . . . 40 MET HB3 . 16611 1 483 . 1 1 40 40 MET HE1 H 1 1.980 0.010 . 1 . . . . 40 MET HE1 . 16611 1 484 . 1 1 40 40 MET HE2 H 1 1.980 0.010 . 1 . . . . 40 MET HE2 . 16611 1 485 . 1 1 40 40 MET HE3 H 1 1.980 0.010 . 1 . . . . 40 MET HE3 . 16611 1 486 . 1 1 40 40 MET HG2 H 1 2.489 0.009 . 2 . . . . 40 MET HG2 . 16611 1 487 . 1 1 40 40 MET HG3 H 1 2.505 0.017 . 2 . . . . 40 MET HG3 . 16611 1 488 . 1 1 40 40 MET C C 13 176.502 0.100 . 1 . . . . 40 MET C . 16611 1 489 . 1 1 40 40 MET CA C 13 57.298 0.103 . 1 . . . . 40 MET CA . 16611 1 490 . 1 1 40 40 MET CB C 13 31.023 0.100 . 1 . . . . 40 MET CB . 16611 1 491 . 1 1 40 40 MET CE C 13 15.699 0.027 . 1 . . . . 40 MET CE . 16611 1 492 . 1 1 40 40 MET CG C 13 32.506 0.198 . 1 . . . . 40 MET CG . 16611 1 493 . 1 1 40 40 MET N N 15 118.204 0.107 . 1 . . . . 40 MET N . 16611 1 494 . 1 1 41 41 THR H H 1 7.014 0.012 . 1 . . . . 41 THR H . 16611 1 495 . 1 1 41 41 THR HA H 1 4.356 0.011 . 1 . . . . 41 THR HA . 16611 1 496 . 1 1 41 41 THR HB H 1 4.644 0.022 . 1 . . . . 41 THR HB . 16611 1 497 . 1 1 41 41 THR HG21 H 1 1.181 0.008 . 1 . . . . 41 THR HG21 . 16611 1 498 . 1 1 41 41 THR HG22 H 1 1.181 0.008 . 1 . . . . 41 THR HG22 . 16611 1 499 . 1 1 41 41 THR HG23 H 1 1.181 0.008 . 1 . . . . 41 THR HG23 . 16611 1 500 . 1 1 41 41 THR C C 13 174.635 0.100 . 1 . . . . 41 THR C . 16611 1 501 . 1 1 41 41 THR CA C 13 60.138 0.100 . 1 . . . . 41 THR CA . 16611 1 502 . 1 1 41 41 THR CB C 13 69.145 0.100 . 1 . . . . 41 THR CB . 16611 1 503 . 1 1 41 41 THR CG2 C 13 21.822 0.087 . 1 . . . . 41 THR CG2 . 16611 1 504 . 1 1 41 41 THR N N 15 100.406 0.058 . 1 . . . . 41 THR N . 16611 1 505 . 1 1 42 42 THR H H 1 7.445 0.007 . 1 . . . . 42 THR H . 16611 1 506 . 1 1 42 42 THR HA H 1 4.086 0.023 . 1 . . . . 42 THR HA . 16611 1 507 . 1 1 42 42 THR HB H 1 3.940 0.005 . 1 . . . . 42 THR HB . 16611 1 508 . 1 1 42 42 THR HG21 H 1 1.249 0.020 . 1 . . . . 42 THR HG21 . 16611 1 509 . 1 1 42 42 THR HG22 H 1 1.249 0.020 . 1 . . . . 42 THR HG22 . 16611 1 510 . 1 1 42 42 THR HG23 H 1 1.249 0.020 . 1 . . . . 42 THR HG23 . 16611 1 511 . 1 1 42 42 THR C C 13 173.284 0.100 . 1 . . . . 42 THR C . 16611 1 512 . 1 1 42 42 THR CA C 13 63.841 0.035 . 1 . . . . 42 THR CA . 16611 1 513 . 1 1 42 42 THR CB C 13 70.196 0.100 . 1 . . . . 42 THR CB . 16611 1 514 . 1 1 42 42 THR CG2 C 13 21.833 0.187 . 1 . . . . 42 THR CG2 . 16611 1 515 . 1 1 42 42 THR N N 15 122.236 0.077 . 1 . . . . 42 THR N . 16611 1 516 . 1 1 43 43 HIS H H 1 8.781 0.013 . 1 . . . . 43 HIS H . 16611 1 517 . 1 1 43 43 HIS HA H 1 4.572 0.011 . 1 . . . . 43 HIS HA . 16611 1 518 . 1 1 43 43 HIS HB2 H 1 3.241 0.013 . 2 . . . . 43 HIS HB2 . 16611 1 519 . 1 1 43 43 HIS HB3 H 1 3.115 0.026 . 2 . . . . 43 HIS HB3 . 16611 1 520 . 1 1 43 43 HIS HD2 H 1 7.193 0.100 . 1 . . . . 43 HIS HD2 . 16611 1 521 . 1 1 43 43 HIS C C 13 177.809 0.100 . 1 . . . . 43 HIS C . 16611 1 522 . 1 1 43 43 HIS CA C 13 56.261 0.255 . 1 . . . . 43 HIS CA . 16611 1 523 . 1 1 43 43 HIS CB C 13 29.212 0.011 . 1 . . . . 43 HIS CB . 16611 1 524 . 1 1 43 43 HIS CD2 C 13 120.064 0.100 . 1 . . . . 43 HIS CD2 . 16611 1 525 . 1 1 43 43 HIS N N 15 124.808 0.134 . 1 . . . . 43 HIS N . 16611 1 526 . 1 1 44 44 LEU H H 1 9.420 0.009 . 1 . . . . 44 LEU H . 16611 1 527 . 1 1 44 44 LEU HA H 1 3.893 0.015 . 1 . . . . 44 LEU HA . 16611 1 528 . 1 1 44 44 LEU HB2 H 1 1.741 0.028 . 2 . . . . 44 LEU HB2 . 16611 1 529 . 1 1 44 44 LEU HB3 H 1 1.748 0.028 . 2 . . . . 44 LEU HB3 . 16611 1 530 . 1 1 44 44 LEU HD11 H 1 0.669 0.019 . 2 . . . . 44 LEU HD11 . 16611 1 531 . 1 1 44 44 LEU HD12 H 1 0.669 0.019 . 2 . . . . 44 LEU HD12 . 16611 1 532 . 1 1 44 44 LEU HD13 H 1 0.669 0.019 . 2 . . . . 44 LEU HD13 . 16611 1 533 . 1 1 44 44 LEU HD21 H 1 0.660 0.015 . 2 . . . . 44 LEU HD21 . 16611 1 534 . 1 1 44 44 LEU HD22 H 1 0.660 0.015 . 2 . . . . 44 LEU HD22 . 16611 1 535 . 1 1 44 44 LEU HD23 H 1 0.660 0.015 . 2 . . . . 44 LEU HD23 . 16611 1 536 . 1 1 44 44 LEU HG H 1 0.636 0.019 . 1 . . . . 44 LEU HG . 16611 1 537 . 1 1 44 44 LEU C C 13 177.610 0.100 . 1 . . . . 44 LEU C . 16611 1 538 . 1 1 44 44 LEU CA C 13 57.995 0.213 . 1 . . . . 44 LEU CA . 16611 1 539 . 1 1 44 44 LEU CB C 13 40.693 0.161 . 1 . . . . 44 LEU CB . 16611 1 540 . 1 1 44 44 LEU CD1 C 13 23.869 0.100 . 2 . . . . 44 LEU CD1 . 16611 1 541 . 1 1 44 44 LEU CD2 C 13 23.780 0.167 . 2 . . . . 44 LEU CD2 . 16611 1 542 . 1 1 44 44 LEU CG C 13 26.315 0.133 . 1 . . . . 44 LEU CG . 16611 1 543 . 1 1 44 44 LEU N N 15 123.886 0.051 . 1 . . . . 44 LEU N . 16611 1 544 . 1 1 45 45 LYS H H 1 8.803 0.009 . 1 . . . . 45 LYS H . 16611 1 545 . 1 1 45 45 LYS HA H 1 3.693 0.013 . 1 . . . . 45 LYS HA . 16611 1 546 . 1 1 45 45 LYS HB2 H 1 2.084 0.016 . 2 . . . . 45 LYS HB2 . 16611 1 547 . 1 1 45 45 LYS HB3 H 1 2.075 0.019 . 2 . . . . 45 LYS HB3 . 16611 1 548 . 1 1 45 45 LYS HD2 H 1 1.639 0.012 . 2 . . . . 45 LYS HD2 . 16611 1 549 . 1 1 45 45 LYS HD3 H 1 1.644 0.010 . 2 . . . . 45 LYS HD3 . 16611 1 550 . 1 1 45 45 LYS HE2 H 1 2.960 0.014 . 2 . . . . 45 LYS HE2 . 16611 1 551 . 1 1 45 45 LYS HE3 H 1 2.964 0.012 . 2 . . . . 45 LYS HE3 . 16611 1 552 . 1 1 45 45 LYS HG2 H 1 1.252 0.019 . 2 . . . . 45 LYS HG2 . 16611 1 553 . 1 1 45 45 LYS HG3 H 1 1.274 0.021 . 2 . . . . 45 LYS HG3 . 16611 1 554 . 1 1 45 45 LYS C C 13 176.899 0.100 . 1 . . . . 45 LYS C . 16611 1 555 . 1 1 45 45 LYS CA C 13 61.008 0.087 . 1 . . . . 45 LYS CA . 16611 1 556 . 1 1 45 45 LYS CB C 13 32.910 0.100 . 1 . . . . 45 LYS CB . 16611 1 557 . 1 1 45 45 LYS CD C 13 29.639 0.075 . 1 . . . . 45 LYS CD . 16611 1 558 . 1 1 45 45 LYS CE C 13 42.110 0.114 . 1 . . . . 45 LYS CE . 16611 1 559 . 1 1 45 45 LYS CG C 13 24.629 0.043 . 1 . . . . 45 LYS CG . 16611 1 560 . 1 1 45 45 LYS N N 15 122.348 0.086 . 1 . . . . 45 LYS N . 16611 1 561 . 1 1 46 46 LYS H H 1 7.967 0.021 . 1 . . . . 46 LYS H . 16611 1 562 . 1 1 46 46 LYS HA H 1 4.181 0.028 . 1 . . . . 46 LYS HA . 16611 1 563 . 1 1 46 46 LYS HB2 H 1 1.822 0.020 . 2 . . . . 46 LYS HB2 . 16611 1 564 . 1 1 46 46 LYS HB3 H 1 1.827 0.015 . 2 . . . . 46 LYS HB3 . 16611 1 565 . 1 1 46 46 LYS HD2 H 1 1.677 0.034 . 2 . . . . 46 LYS HD2 . 16611 1 566 . 1 1 46 46 LYS HD3 H 1 1.679 0.005 . 2 . . . . 46 LYS HD3 . 16611 1 567 . 1 1 46 46 LYS HE2 H 1 2.945 0.004 . 2 . . . . 46 LYS HE2 . 16611 1 568 . 1 1 46 46 LYS HE3 H 1 2.953 0.009 . 2 . . . . 46 LYS HE3 . 16611 1 569 . 1 1 46 46 LYS HG2 H 1 1.381 0.028 . 2 . . . . 46 LYS HG2 . 16611 1 570 . 1 1 46 46 LYS HG3 H 1 1.391 0.025 . 2 . . . . 46 LYS HG3 . 16611 1 571 . 1 1 46 46 LYS C C 13 179.333 0.100 . 1 . . . . 46 LYS C . 16611 1 572 . 1 1 46 46 LYS CA C 13 58.542 0.034 . 1 . . . . 46 LYS CA . 16611 1 573 . 1 1 46 46 LYS CB C 13 28.491 0.208 . 1 . . . . 46 LYS CB . 16611 1 574 . 1 1 46 46 LYS CD C 13 29.036 0.100 . 1 . . . . 46 LYS CD . 16611 1 575 . 1 1 46 46 LYS CE C 13 42.027 0.031 . 1 . . . . 46 LYS CE . 16611 1 576 . 1 1 46 46 LYS CG C 13 24.466 0.002 . 1 . . . . 46 LYS CG . 16611 1 577 . 1 1 46 46 LYS N N 15 113.889 0.052 . 1 . . . . 46 LYS N . 16611 1 578 . 1 1 47 47 LEU H H 1 6.783 0.013 . 1 . . . . 47 LEU H . 16611 1 579 . 1 1 47 47 LEU HA H 1 3.625 0.028 . 1 . . . . 47 LEU HA . 16611 1 580 . 1 1 47 47 LEU HB2 H 1 1.481 0.011 . 2 . . . . 47 LEU HB2 . 16611 1 581 . 1 1 47 47 LEU HB3 H 1 1.498 0.021 . 2 . . . . 47 LEU HB3 . 16611 1 582 . 1 1 47 47 LEU HD11 H 1 0.245 0.014 . 2 . . . . 47 LEU HD11 . 16611 1 583 . 1 1 47 47 LEU HD12 H 1 0.245 0.014 . 2 . . . . 47 LEU HD12 . 16611 1 584 . 1 1 47 47 LEU HD13 H 1 0.245 0.014 . 2 . . . . 47 LEU HD13 . 16611 1 585 . 1 1 47 47 LEU HD21 H 1 0.196 0.017 . 2 . . . . 47 LEU HD21 . 16611 1 586 . 1 1 47 47 LEU HD22 H 1 0.196 0.017 . 2 . . . . 47 LEU HD22 . 16611 1 587 . 1 1 47 47 LEU HD23 H 1 0.196 0.017 . 2 . . . . 47 LEU HD23 . 16611 1 588 . 1 1 47 47 LEU C C 13 176.910 0.100 . 1 . . . . 47 LEU C . 16611 1 589 . 1 1 47 47 LEU CA C 13 58.738 0.126 . 1 . . . . 47 LEU CA . 16611 1 590 . 1 1 47 47 LEU CB C 13 42.282 0.081 . 1 . . . . 47 LEU CB . 16611 1 591 . 1 1 47 47 LEU CD1 C 13 27.620 0.049 . 2 . . . . 47 LEU CD1 . 16611 1 592 . 1 1 47 47 LEU CD2 C 13 24.121 0.071 . 2 . . . . 47 LEU CD2 . 16611 1 593 . 1 1 47 47 LEU N N 15 120.804 0.086 . 1 . . . . 47 LEU N . 16611 1 594 . 1 1 48 48 LYS H H 1 7.634 0.007 . 1 . . . . 48 LYS H . 16611 1 595 . 1 1 48 48 LYS HA H 1 3.144 0.020 . 1 . . . . 48 LYS HA . 16611 1 596 . 1 1 48 48 LYS HB2 H 1 1.727 0.029 . 2 . . . . 48 LYS HB2 . 16611 1 597 . 1 1 48 48 LYS HB3 H 1 1.719 0.031 . 2 . . . . 48 LYS HB3 . 16611 1 598 . 1 1 48 48 LYS HD2 H 1 1.486 0.010 . 2 . . . . 48 LYS HD2 . 16611 1 599 . 1 1 48 48 LYS HD3 H 1 1.492 0.017 . 2 . . . . 48 LYS HD3 . 16611 1 600 . 1 1 48 48 LYS HE2 H 1 2.537 0.025 . 2 . . . . 48 LYS HE2 . 16611 1 601 . 1 1 48 48 LYS HE3 H 1 2.544 0.019 . 2 . . . . 48 LYS HE3 . 16611 1 602 . 1 1 48 48 LYS HG2 H 1 1.306 0.031 . 2 . . . . 48 LYS HG2 . 16611 1 603 . 1 1 48 48 LYS HG3 H 1 1.307 0.026 . 2 . . . . 48 LYS HG3 . 16611 1 604 . 1 1 48 48 LYS C C 13 178.539 0.100 . 1 . . . . 48 LYS C . 16611 1 605 . 1 1 48 48 LYS CA C 13 59.662 0.131 . 1 . . . . 48 LYS CA . 16611 1 606 . 1 1 48 48 LYS CB C 13 33.040 0.090 . 1 . . . . 48 LYS CB . 16611 1 607 . 1 1 48 48 LYS CD C 13 29.842 0.099 . 1 . . . . 48 LYS CD . 16611 1 608 . 1 1 48 48 LYS CE C 13 42.261 0.100 . 1 . . . . 48 LYS CE . 16611 1 609 . 1 1 48 48 LYS CG C 13 23.253 0.089 . 1 . . . . 48 LYS CG . 16611 1 610 . 1 1 48 48 LYS N N 15 118.737 0.079 . 1 . . . . 48 LYS N . 16611 1 611 . 1 1 49 49 GLU H H 1 8.627 0.007 . 1 . . . . 49 GLU H . 16611 1 612 . 1 1 49 49 GLU HA H 1 4.090 0.019 . 1 . . . . 49 GLU HA . 16611 1 613 . 1 1 49 49 GLU HB2 H 1 2.085 0.009 . 2 . . . . 49 GLU HB2 . 16611 1 614 . 1 1 49 49 GLU HB3 H 1 2.113 0.019 . 2 . . . . 49 GLU HB3 . 16611 1 615 . 1 1 49 49 GLU HG2 H 1 2.520 0.025 . 2 . . . . 49 GLU HG2 . 16611 1 616 . 1 1 49 49 GLU HG3 H 1 2.314 0.012 . 2 . . . . 49 GLU HG3 . 16611 1 617 . 1 1 49 49 GLU C C 13 179.237 0.100 . 1 . . . . 49 GLU C . 16611 1 618 . 1 1 49 49 GLU CA C 13 59.733 0.073 . 1 . . . . 49 GLU CA . 16611 1 619 . 1 1 49 49 GLU CB C 13 30.450 0.103 . 1 . . . . 49 GLU CB . 16611 1 620 . 1 1 49 49 GLU CG C 13 36.851 0.214 . 1 . . . . 49 GLU CG . 16611 1 621 . 1 1 49 49 GLU N N 15 117.728 0.075 . 1 . . . . 49 GLU N . 16611 1 622 . 1 1 50 50 SER H H 1 7.631 0.010 . 1 . . . . 50 SER H . 16611 1 623 . 1 1 50 50 SER HA H 1 4.354 0.027 . 1 . . . . 50 SER HA . 16611 1 624 . 1 1 50 50 SER HB2 H 1 4.102 0.014 . 2 . . . . 50 SER HB2 . 16611 1 625 . 1 1 50 50 SER HB3 H 1 4.116 0.019 . 2 . . . . 50 SER HB3 . 16611 1 626 . 1 1 50 50 SER C C 13 177.562 0.100 . 1 . . . . 50 SER C . 16611 1 627 . 1 1 50 50 SER CA C 13 62.109 0.204 . 1 . . . . 50 SER CA . 16611 1 628 . 1 1 50 50 SER CB C 13 63.643 0.200 . 1 . . . . 50 SER CB . 16611 1 629 . 1 1 50 50 SER N N 15 114.267 0.152 . 1 . . . . 50 SER N . 16611 1 630 . 1 1 51 51 TYR H H 1 8.934 0.005 . 1 . . . . 51 TYR H . 16611 1 631 . 1 1 51 51 TYR HA H 1 4.109 0.020 . 1 . . . . 51 TYR HA . 16611 1 632 . 1 1 51 51 TYR HB2 H 1 3.447 0.036 . 2 . . . . 51 TYR HB2 . 16611 1 633 . 1 1 51 51 TYR HB3 H 1 3.426 0.036 . 2 . . . . 51 TYR HB3 . 16611 1 634 . 1 1 51 51 TYR HD1 H 1 7.070 0.018 . 3 . . . . 51 TYR HD1 . 16611 1 635 . 1 1 51 51 TYR HD2 H 1 7.070 0.018 . 3 . . . . 51 TYR HD2 . 16611 1 636 . 1 1 51 51 TYR HE1 H 1 6.681 0.028 . 3 . . . . 51 TYR HE1 . 16611 1 637 . 1 1 51 51 TYR HE2 H 1 6.681 0.028 . 3 . . . . 51 TYR HE2 . 16611 1 638 . 1 1 51 51 TYR C C 13 177.430 0.100 . 1 . . . . 51 TYR C . 16611 1 639 . 1 1 51 51 TYR CA C 13 63.573 0.108 . 1 . . . . 51 TYR CA . 16611 1 640 . 1 1 51 51 TYR CB C 13 38.898 0.100 . 1 . . . . 51 TYR CB . 16611 1 641 . 1 1 51 51 TYR CD1 C 13 132.361 0.197 . 3 . . . . 51 TYR CD1 . 16611 1 642 . 1 1 51 51 TYR CD2 C 13 132.361 0.197 . 3 . . . . 51 TYR CD2 . 16611 1 643 . 1 1 51 51 TYR CE1 C 13 118.460 0.208 . 3 . . . . 51 TYR CE1 . 16611 1 644 . 1 1 51 51 TYR CE2 C 13 118.460 0.208 . 3 . . . . 51 TYR CE2 . 16611 1 645 . 1 1 51 51 TYR N N 15 121.005 0.024 . 1 . . . . 51 TYR N . 16611 1 646 . 1 1 52 52 CYS H H 1 8.762 0.007 . 1 . . . . 52 CYS H . 16611 1 647 . 1 1 52 52 CYS HA H 1 3.984 0.019 . 1 . . . . 52 CYS HA . 16611 1 648 . 1 1 52 52 CYS HB2 H 1 3.507 0.012 . 2 . . . . 52 CYS HB2 . 16611 1 649 . 1 1 52 52 CYS HB3 H 1 3.111 0.023 . 2 . . . . 52 CYS HB3 . 16611 1 650 . 1 1 52 52 CYS C C 13 177.087 0.100 . 1 . . . . 52 CYS C . 16611 1 651 . 1 1 52 52 CYS CA C 13 65.258 0.230 . 1 . . . . 52 CYS CA . 16611 1 652 . 1 1 52 52 CYS CB C 13 26.107 0.104 . 1 . . . . 52 CYS CB . 16611 1 653 . 1 1 52 52 CYS N N 15 116.949 0.104 . 1 . . . . 52 CYS N . 16611 1 654 . 1 1 53 53 GLN H H 1 8.354 0.014 . 1 . . . . 53 GLN H . 16611 1 655 . 1 1 53 53 GLN HA H 1 4.174 0.015 . 1 . . . . 53 GLN HA . 16611 1 656 . 1 1 53 53 GLN HB2 H 1 2.289 0.020 . 2 . . . . 53 GLN HB2 . 16611 1 657 . 1 1 53 53 GLN HB3 H 1 2.308 0.008 . 2 . . . . 53 GLN HB3 . 16611 1 658 . 1 1 53 53 GLN HE21 H 1 7.557 0.005 . 1 . . . . 53 GLN HE21 . 16611 1 659 . 1 1 53 53 GLN HE22 H 1 6.924 0.006 . 1 . . . . 53 GLN HE22 . 16611 1 660 . 1 1 53 53 GLN HG2 H 1 2.611 0.003 . 2 . . . . 53 GLN HG2 . 16611 1 661 . 1 1 53 53 GLN HG3 H 1 2.464 0.014 . 2 . . . . 53 GLN HG3 . 16611 1 662 . 1 1 53 53 GLN C C 13 179.144 0.100 . 1 . . . . 53 GLN C . 16611 1 663 . 1 1 53 53 GLN CA C 13 58.726 0.204 . 1 . . . . 53 GLN CA . 16611 1 664 . 1 1 53 53 GLN CB C 13 28.325 0.214 . 1 . . . . 53 GLN CB . 16611 1 665 . 1 1 53 53 GLN CG C 13 34.064 0.049 . 1 . . . . 53 GLN CG . 16611 1 666 . 1 1 53 53 GLN N N 15 119.508 0.107 . 1 . . . . 53 GLN N . 16611 1 667 . 1 1 53 53 GLN NE2 N 15 111.545 0.131 . 1 . . . . 53 GLN NE2 . 16611 1 668 . 1 1 54 54 ARG H H 1 8.122 0.010 . 1 . . . . 54 ARG H . 16611 1 669 . 1 1 54 54 ARG HA H 1 4.125 0.012 . 1 . . . . 54 ARG HA . 16611 1 670 . 1 1 54 54 ARG HB2 H 1 1.945 0.018 . 2 . . . . 54 ARG HB2 . 16611 1 671 . 1 1 54 54 ARG HB3 H 1 1.940 0.016 . 2 . . . . 54 ARG HB3 . 16611 1 672 . 1 1 54 54 ARG HD2 H 1 3.126 0.028 . 2 . . . . 54 ARG HD2 . 16611 1 673 . 1 1 54 54 ARG HD3 H 1 3.114 0.021 . 2 . . . . 54 ARG HD3 . 16611 1 674 . 1 1 54 54 ARG HG2 H 1 1.682 0.024 . 2 . . . . 54 ARG HG2 . 16611 1 675 . 1 1 54 54 ARG HG3 H 1 1.683 0.022 . 2 . . . . 54 ARG HG3 . 16611 1 676 . 1 1 54 54 ARG C C 13 178.288 0.100 . 1 . . . . 54 ARG C . 16611 1 677 . 1 1 54 54 ARG CA C 13 58.347 0.168 . 1 . . . . 54 ARG CA . 16611 1 678 . 1 1 54 54 ARG CB C 13 28.952 0.073 . 1 . . . . 54 ARG CB . 16611 1 679 . 1 1 54 54 ARG CD C 13 42.308 0.153 . 1 . . . . 54 ARG CD . 16611 1 680 . 1 1 54 54 ARG CG C 13 27.734 0.136 . 1 . . . . 54 ARG CG . 16611 1 681 . 1 1 54 54 ARG N N 15 120.380 0.041 . 1 . . . . 54 ARG N . 16611 1 682 . 1 1 55 55 GLN H H 1 7.904 0.008 . 1 . . . . 55 GLN H . 16611 1 683 . 1 1 55 55 GLN HA H 1 4.328 0.022 . 1 . . . . 55 GLN HA . 16611 1 684 . 1 1 55 55 GLN HB2 H 1 1.711 0.017 . 2 . . . . 55 GLN HB2 . 16611 1 685 . 1 1 55 55 GLN HB3 H 1 1.718 0.007 . 2 . . . . 55 GLN HB3 . 16611 1 686 . 1 1 55 55 GLN HE21 H 1 7.648 0.016 . 1 . . . . 55 GLN HE21 . 16611 1 687 . 1 1 55 55 GLN HE22 H 1 6.927 0.025 . 1 . . . . 55 GLN HE22 . 16611 1 688 . 1 1 55 55 GLN HG2 H 1 2.197 0.026 . 2 . . . . 55 GLN HG2 . 16611 1 689 . 1 1 55 55 GLN HG3 H 1 2.207 0.027 . 2 . . . . 55 GLN HG3 . 16611 1 690 . 1 1 55 55 GLN C C 13 176.349 0.100 . 1 . . . . 55 GLN C . 16611 1 691 . 1 1 55 55 GLN CA C 13 55.506 0.100 . 1 . . . . 55 GLN CA . 16611 1 692 . 1 1 55 55 GLN CB C 13 29.113 0.076 . 1 . . . . 55 GLN CB . 16611 1 693 . 1 1 55 55 GLN CG C 13 32.509 0.100 . 1 . . . . 55 GLN CG . 16611 1 694 . 1 1 55 55 GLN N N 15 114.522 0.047 . 1 . . . . 55 GLN N . 16611 1 695 . 1 1 55 55 GLN NE2 N 15 112.349 0.236 . 1 . . . . 55 GLN NE2 . 16611 1 696 . 1 1 56 56 GLY H H 1 7.998 0.010 . 1 . . . . 56 GLY H . 16611 1 697 . 1 1 56 56 GLY HA2 H 1 3.989 0.001 . 1 . . . . 56 GLY HA2 . 16611 1 698 . 1 1 56 56 GLY HA3 H 1 3.989 0.001 . 1 . . . . 56 GLY HA3 . 16611 1 699 . 1 1 56 56 GLY C C 13 174.909 0.100 . 1 . . . . 56 GLY C . 16611 1 700 . 1 1 56 56 GLY CA C 13 46.451 0.100 . 1 . . . . 56 GLY CA . 16611 1 701 . 1 1 56 56 GLY N N 15 109.734 0.029 . 1 . . . . 56 GLY N . 16611 1 702 . 1 1 57 57 VAL H H 1 7.780 0.003 . 1 . . . . 57 VAL H . 16611 1 703 . 1 1 57 57 VAL HA H 1 5.036 0.012 . 1 . . . . 57 VAL HA . 16611 1 704 . 1 1 57 57 VAL HB H 1 2.258 0.014 . 1 . . . . 57 VAL HB . 16611 1 705 . 1 1 57 57 VAL HG11 H 1 0.930 0.015 . 2 . . . . 57 VAL HG11 . 16611 1 706 . 1 1 57 57 VAL HG12 H 1 0.930 0.015 . 2 . . . . 57 VAL HG12 . 16611 1 707 . 1 1 57 57 VAL HG13 H 1 0.930 0.015 . 2 . . . . 57 VAL HG13 . 16611 1 708 . 1 1 57 57 VAL HG21 H 1 0.835 0.015 . 2 . . . . 57 VAL HG21 . 16611 1 709 . 1 1 57 57 VAL HG22 H 1 0.835 0.015 . 2 . . . . 57 VAL HG22 . 16611 1 710 . 1 1 57 57 VAL HG23 H 1 0.835 0.015 . 2 . . . . 57 VAL HG23 . 16611 1 711 . 1 1 57 57 VAL C C 13 173.491 0.100 . 1 . . . . 57 VAL C . 16611 1 712 . 1 1 57 57 VAL CA C 13 57.710 0.100 . 1 . . . . 57 VAL CA . 16611 1 713 . 1 1 57 57 VAL CB C 13 32.813 0.046 . 1 . . . . 57 VAL CB . 16611 1 714 . 1 1 57 57 VAL CG1 C 13 21.253 0.154 . 2 . . . . 57 VAL CG1 . 16611 1 715 . 1 1 57 57 VAL CG2 C 13 18.684 0.108 . 2 . . . . 57 VAL CG2 . 16611 1 716 . 1 1 57 57 VAL N N 15 111.964 0.080 . 1 . . . . 57 VAL N . 16611 1 717 . 1 1 58 58 PRO HA H 1 4.589 0.013 . 1 . . . . 58 PRO HA . 16611 1 718 . 1 1 58 58 PRO HB2 H 1 2.481 0.015 . 2 . . . . 58 PRO HB2 . 16611 1 719 . 1 1 58 58 PRO HB3 H 1 2.470 0.012 . 2 . . . . 58 PRO HB3 . 16611 1 720 . 1 1 58 58 PRO HD2 H 1 3.666 0.009 . 2 . . . . 58 PRO HD2 . 16611 1 721 . 1 1 58 58 PRO HD3 H 1 3.666 0.009 . 2 . . . . 58 PRO HD3 . 16611 1 722 . 1 1 58 58 PRO HG2 H 1 2.168 0.001 . 2 . . . . 58 PRO HG2 . 16611 1 723 . 1 1 58 58 PRO HG3 H 1 2.186 0.017 . 2 . . . . 58 PRO HG3 . 16611 1 724 . 1 1 58 58 PRO C C 13 179.204 0.100 . 1 . . . . 58 PRO C . 16611 1 725 . 1 1 58 58 PRO CA C 13 62.368 0.100 . 1 . . . . 58 PRO CA . 16611 1 726 . 1 1 58 58 PRO CB C 13 32.580 0.051 . 1 . . . . 58 PRO CB . 16611 1 727 . 1 1 58 58 PRO CD C 13 51.052 0.039 . 1 . . . . 58 PRO CD . 16611 1 728 . 1 1 58 58 PRO CG C 13 28.056 0.048 . 1 . . . . 58 PRO CG . 16611 1 729 . 1 1 59 59 MET H H 1 9.100 0.006 . 1 . . . . 59 MET H . 16611 1 730 . 1 1 59 59 MET HA H 1 4.882 0.022 . 1 . . . . 59 MET HA . 16611 1 731 . 1 1 59 59 MET HB2 H 1 2.182 0.018 . 2 . . . . 59 MET HB2 . 16611 1 732 . 1 1 59 59 MET HB3 H 1 2.190 0.022 . 2 . . . . 59 MET HB3 . 16611 1 733 . 1 1 59 59 MET HE1 H 1 2.161 0.010 . 1 . . . . 59 MET HE1 . 16611 1 734 . 1 1 59 59 MET HE2 H 1 2.161 0.010 . 1 . . . . 59 MET HE2 . 16611 1 735 . 1 1 59 59 MET HE3 H 1 2.161 0.010 . 1 . . . . 59 MET HE3 . 16611 1 736 . 1 1 59 59 MET HG2 H 1 2.780 0.016 . 2 . . . . 59 MET HG2 . 16611 1 737 . 1 1 59 59 MET HG3 H 1 2.784 0.009 . 2 . . . . 59 MET HG3 . 16611 1 738 . 1 1 59 59 MET C C 13 177.363 0.100 . 1 . . . . 59 MET C . 16611 1 739 . 1 1 59 59 MET CA C 13 58.312 0.100 . 1 . . . . 59 MET CA . 16611 1 740 . 1 1 59 59 MET CB C 13 32.831 0.131 . 1 . . . . 59 MET CB . 16611 1 741 . 1 1 59 59 MET CE C 13 17.679 0.173 . 1 . . . . 59 MET CE . 16611 1 742 . 1 1 59 59 MET CG C 13 32.580 0.094 . 1 . . . . 59 MET CG . 16611 1 743 . 1 1 59 59 MET N N 15 124.605 0.055 . 1 . . . . 59 MET N . 16611 1 744 . 1 1 60 60 ASN H H 1 8.495 0.006 . 1 . . . . 60 ASN H . 16611 1 745 . 1 1 60 60 ASN HA H 1 4.792 0.015 . 1 . . . . 60 ASN HA . 16611 1 746 . 1 1 60 60 ASN HB2 H 1 3.130 0.009 . 2 . . . . 60 ASN HB2 . 16611 1 747 . 1 1 60 60 ASN HB3 H 1 2.940 0.018 . 2 . . . . 60 ASN HB3 . 16611 1 748 . 1 1 60 60 ASN HD21 H 1 7.678 0.010 . 1 . . . . 60 ASN HD21 . 16611 1 749 . 1 1 60 60 ASN HD22 H 1 6.911 0.010 . 1 . . . . 60 ASN HD22 . 16611 1 750 . 1 1 60 60 ASN C C 13 175.652 0.100 . 1 . . . . 60 ASN C . 16611 1 751 . 1 1 60 60 ASN CA C 13 53.898 0.100 . 1 . . . . 60 ASN CA . 16611 1 752 . 1 1 60 60 ASN CB C 13 37.281 0.021 . 1 . . . . 60 ASN CB . 16611 1 753 . 1 1 60 60 ASN N N 15 113.216 0.041 . 1 . . . . 60 ASN N . 16611 1 754 . 1 1 60 60 ASN ND2 N 15 111.503 0.087 . 1 . . . . 60 ASN ND2 . 16611 1 755 . 1 1 61 61 SER H H 1 8.014 0.009 . 1 . . . . 61 SER H . 16611 1 756 . 1 1 61 61 SER HA H 1 4.565 0.007 . 1 . . . . 61 SER HA . 16611 1 757 . 1 1 61 61 SER HB2 H 1 4.223 0.022 . 2 . . . . 61 SER HB2 . 16611 1 758 . 1 1 61 61 SER HB3 H 1 3.893 0.008 . 2 . . . . 61 SER HB3 . 16611 1 759 . 1 1 61 61 SER C C 13 173.481 0.100 . 1 . . . . 61 SER C . 16611 1 760 . 1 1 61 61 SER CA C 13 59.909 0.026 . 1 . . . . 61 SER CA . 16611 1 761 . 1 1 61 61 SER CB C 13 65.053 0.100 . 1 . . . . 61 SER CB . 16611 1 762 . 1 1 61 61 SER N N 15 113.103 0.031 . 1 . . . . 61 SER N . 16611 1 763 . 1 1 62 62 LEU H H 1 7.322 0.009 . 1 . . . . 62 LEU H . 16611 1 764 . 1 1 62 62 LEU HA H 1 5.194 0.017 . 1 . . . . 62 LEU HA . 16611 1 765 . 1 1 62 62 LEU HB2 H 1 1.579 0.026 . 2 . . . . 62 LEU HB2 . 16611 1 766 . 1 1 62 62 LEU HB3 H 1 0.825 0.014 . 2 . . . . 62 LEU HB3 . 16611 1 767 . 1 1 62 62 LEU HD11 H 1 0.786 0.012 . 2 . . . . 62 LEU HD11 . 16611 1 768 . 1 1 62 62 LEU HD12 H 1 0.786 0.012 . 2 . . . . 62 LEU HD12 . 16611 1 769 . 1 1 62 62 LEU HD13 H 1 0.786 0.012 . 2 . . . . 62 LEU HD13 . 16611 1 770 . 1 1 62 62 LEU HD21 H 1 0.788 0.014 . 2 . . . . 62 LEU HD21 . 16611 1 771 . 1 1 62 62 LEU HD22 H 1 0.788 0.014 . 2 . . . . 62 LEU HD22 . 16611 1 772 . 1 1 62 62 LEU HD23 H 1 0.788 0.014 . 2 . . . . 62 LEU HD23 . 16611 1 773 . 1 1 62 62 LEU HG H 1 0.993 0.017 . 1 . . . . 62 LEU HG . 16611 1 774 . 1 1 62 62 LEU C C 13 175.500 0.100 . 1 . . . . 62 LEU C . 16611 1 775 . 1 1 62 62 LEU CA C 13 53.611 0.100 . 1 . . . . 62 LEU CA . 16611 1 776 . 1 1 62 62 LEU CB C 13 46.530 0.100 . 1 . . . . 62 LEU CB . 16611 1 777 . 1 1 62 62 LEU CD1 C 13 22.973 0.117 . 2 . . . . 62 LEU CD1 . 16611 1 778 . 1 1 62 62 LEU CD2 C 13 22.952 0.055 . 2 . . . . 62 LEU CD2 . 16611 1 779 . 1 1 62 62 LEU CG C 13 26.965 0.241 . 1 . . . . 62 LEU CG . 16611 1 780 . 1 1 62 62 LEU N N 15 120.957 0.036 . 1 . . . . 62 LEU N . 16611 1 781 . 1 1 63 63 ARG H H 1 9.113 0.010 . 1 . . . . 63 ARG H . 16611 1 782 . 1 1 63 63 ARG HA H 1 4.729 0.027 . 1 . . . . 63 ARG HA . 16611 1 783 . 1 1 63 63 ARG HB2 H 1 1.730 0.010 . 2 . . . . 63 ARG HB2 . 16611 1 784 . 1 1 63 63 ARG HB3 H 1 1.720 0.018 . 2 . . . . 63 ARG HB3 . 16611 1 785 . 1 1 63 63 ARG HD2 H 1 3.037 0.010 . 2 . . . . 63 ARG HD2 . 16611 1 786 . 1 1 63 63 ARG HD3 H 1 3.038 0.008 . 2 . . . . 63 ARG HD3 . 16611 1 787 . 1 1 63 63 ARG HG2 H 1 1.513 0.026 . 2 . . . . 63 ARG HG2 . 16611 1 788 . 1 1 63 63 ARG HG3 H 1 1.501 0.017 . 2 . . . . 63 ARG HG3 . 16611 1 789 . 1 1 63 63 ARG C C 13 172.776 0.100 . 1 . . . . 63 ARG C . 16611 1 790 . 1 1 63 63 ARG CA C 13 54.571 0.100 . 1 . . . . 63 ARG CA . 16611 1 791 . 1 1 63 63 ARG CB C 13 33.513 0.154 . 1 . . . . 63 ARG CB . 16611 1 792 . 1 1 63 63 ARG CD C 13 43.729 0.263 . 1 . . . . 63 ARG CD . 16611 1 793 . 1 1 63 63 ARG CG C 13 27.005 0.143 . 1 . . . . 63 ARG CG . 16611 1 794 . 1 1 63 63 ARG N N 15 120.198 0.083 . 1 . . . . 63 ARG N . 16611 1 795 . 1 1 64 64 PHE H H 1 9.001 0.002 . 1 . . . . 64 PHE H . 16611 1 796 . 1 1 64 64 PHE HA H 1 4.992 0.024 . 1 . . . . 64 PHE HA . 16611 1 797 . 1 1 64 64 PHE HB2 H 1 2.988 0.020 . 2 . . . . 64 PHE HB2 . 16611 1 798 . 1 1 64 64 PHE HB3 H 1 2.506 0.010 . 2 . . . . 64 PHE HB3 . 16611 1 799 . 1 1 64 64 PHE HD1 H 1 7.070 0.015 . 3 . . . . 64 PHE HD1 . 16611 1 800 . 1 1 64 64 PHE HD2 H 1 7.070 0.015 . 3 . . . . 64 PHE HD2 . 16611 1 801 . 1 1 64 64 PHE C C 13 174.079 0.100 . 1 . . . . 64 PHE C . 16611 1 802 . 1 1 64 64 PHE CA C 13 56.272 0.100 . 1 . . . . 64 PHE CA . 16611 1 803 . 1 1 64 64 PHE CB C 13 40.804 0.268 . 1 . . . . 64 PHE CB . 16611 1 804 . 1 1 64 64 PHE CD1 C 13 132.122 0.138 . 3 . . . . 64 PHE CD1 . 16611 1 805 . 1 1 64 64 PHE CD2 C 13 132.122 0.138 . 3 . . . . 64 PHE CD2 . 16611 1 806 . 1 1 64 64 PHE N N 15 122.592 0.073 . 1 . . . . 64 PHE N . 16611 1 807 . 1 1 65 65 LEU H H 1 9.793 0.009 . 1 . . . . 65 LEU H . 16611 1 808 . 1 1 65 65 LEU HA H 1 5.372 0.009 . 1 . . . . 65 LEU HA . 16611 1 809 . 1 1 65 65 LEU HB2 H 1 1.928 0.025 . 2 . . . . 65 LEU HB2 . 16611 1 810 . 1 1 65 65 LEU HB3 H 1 1.355 0.026 . 2 . . . . 65 LEU HB3 . 16611 1 811 . 1 1 65 65 LEU HD11 H 1 0.775 0.007 . 2 . . . . 65 LEU HD11 . 16611 1 812 . 1 1 65 65 LEU HD12 H 1 0.775 0.007 . 2 . . . . 65 LEU HD12 . 16611 1 813 . 1 1 65 65 LEU HD13 H 1 0.775 0.007 . 2 . . . . 65 LEU HD13 . 16611 1 814 . 1 1 65 65 LEU HD21 H 1 0.680 0.010 . 2 . . . . 65 LEU HD21 . 16611 1 815 . 1 1 65 65 LEU HD22 H 1 0.680 0.010 . 2 . . . . 65 LEU HD22 . 16611 1 816 . 1 1 65 65 LEU HD23 H 1 0.680 0.010 . 2 . . . . 65 LEU HD23 . 16611 1 817 . 1 1 65 65 LEU HG H 1 1.533 0.014 . 1 . . . . 65 LEU HG . 16611 1 818 . 1 1 65 65 LEU C C 13 175.898 0.100 . 1 . . . . 65 LEU C . 16611 1 819 . 1 1 65 65 LEU CA C 13 53.767 0.100 . 1 . . . . 65 LEU CA . 16611 1 820 . 1 1 65 65 LEU CB C 13 46.545 0.100 . 1 . . . . 65 LEU CB . 16611 1 821 . 1 1 65 65 LEU CD1 C 13 25.471 0.075 . 2 . . . . 65 LEU CD1 . 16611 1 822 . 1 1 65 65 LEU CD2 C 13 24.055 0.055 . 2 . . . . 65 LEU CD2 . 16611 1 823 . 1 1 65 65 LEU CG C 13 28.323 0.106 . 1 . . . . 65 LEU CG . 16611 1 824 . 1 1 65 65 LEU N N 15 124.291 0.111 . 1 . . . . 65 LEU N . 16611 1 825 . 1 1 66 66 PHE H H 1 9.075 0.007 . 1 . . . . 66 PHE H . 16611 1 826 . 1 1 66 66 PHE HA H 1 5.279 0.009 . 1 . . . . 66 PHE HA . 16611 1 827 . 1 1 66 66 PHE HB2 H 1 3.014 0.025 . 2 . . . . 66 PHE HB2 . 16611 1 828 . 1 1 66 66 PHE HB3 H 1 2.795 0.016 . 2 . . . . 66 PHE HB3 . 16611 1 829 . 1 1 66 66 PHE C C 13 174.914 0.100 . 1 . . . . 66 PHE C . 16611 1 830 . 1 1 66 66 PHE CA C 13 56.355 0.100 . 1 . . . . 66 PHE CA . 16611 1 831 . 1 1 66 66 PHE CB C 13 42.039 0.184 . 1 . . . . 66 PHE CB . 16611 1 832 . 1 1 66 66 PHE N N 15 119.574 0.036 . 1 . . . . 66 PHE N . 16611 1 833 . 1 1 67 67 GLU H H 1 9.472 0.011 . 1 . . . . 67 GLU H . 16611 1 834 . 1 1 67 67 GLU HA H 1 3.620 0.006 . 1 . . . . 67 GLU HA . 16611 1 835 . 1 1 67 67 GLU HB2 H 1 1.877 0.005 . 2 . . . . 67 GLU HB2 . 16611 1 836 . 1 1 67 67 GLU HB3 H 1 1.396 0.017 . 2 . . . . 67 GLU HB3 . 16611 1 837 . 1 1 67 67 GLU C C 13 176.793 0.100 . 1 . . . . 67 GLU C . 16611 1 838 . 1 1 67 67 GLU CA C 13 56.865 0.038 . 1 . . . . 67 GLU CA . 16611 1 839 . 1 1 67 67 GLU CB C 13 27.041 0.002 . 1 . . . . 67 GLU CB . 16611 1 840 . 1 1 67 67 GLU N N 15 129.344 0.056 . 1 . . . . 67 GLU N . 16611 1 841 . 1 1 68 68 GLY H H 1 8.912 0.009 . 1 . . . . 68 GLY H . 16611 1 842 . 1 1 68 68 GLY HA2 H 1 4.185 0.100 . 2 . . . . 68 GLY HA2 . 16611 1 843 . 1 1 68 68 GLY HA3 H 1 4.197 0.019 . 2 . . . . 68 GLY HA3 . 16611 1 844 . 1 1 68 68 GLY C C 13 173.578 0.100 . 1 . . . . 68 GLY C . 16611 1 845 . 1 1 68 68 GLY CA C 13 45.590 0.100 . 1 . . . . 68 GLY CA . 16611 1 846 . 1 1 68 68 GLY N N 15 103.207 0.072 . 1 . . . . 68 GLY N . 16611 1 847 . 1 1 69 69 GLN H H 1 8.078 0.005 . 1 . . . . 69 GLN H . 16611 1 848 . 1 1 69 69 GLN HA H 1 4.668 0.012 . 1 . . . . 69 GLN HA . 16611 1 849 . 1 1 69 69 GLN HB2 H 1 2.253 0.023 . 2 . . . . 69 GLN HB2 . 16611 1 850 . 1 1 69 69 GLN HB3 H 1 2.250 0.024 . 2 . . . . 69 GLN HB3 . 16611 1 851 . 1 1 69 69 GLN HE21 H 1 7.642 0.001 . 1 . . . . 69 GLN HE21 . 16611 1 852 . 1 1 69 69 GLN HE22 H 1 7.088 0.007 . 1 . . . . 69 GLN HE22 . 16611 1 853 . 1 1 69 69 GLN HG2 H 1 2.416 0.011 . 2 . . . . 69 GLN HG2 . 16611 1 854 . 1 1 69 69 GLN HG3 H 1 2.416 0.009 . 2 . . . . 69 GLN HG3 . 16611 1 855 . 1 1 69 69 GLN C C 13 175.139 0.100 . 1 . . . . 69 GLN C . 16611 1 856 . 1 1 69 69 GLN CA C 13 53.904 0.100 . 1 . . . . 69 GLN CA . 16611 1 857 . 1 1 69 69 GLN CB C 13 31.057 0.060 . 1 . . . . 69 GLN CB . 16611 1 858 . 1 1 69 69 GLN CG C 13 33.730 0.107 . 1 . . . . 69 GLN CG . 16611 1 859 . 1 1 69 69 GLN N N 15 120.823 0.072 . 1 . . . . 69 GLN N . 16611 1 860 . 1 1 69 69 GLN NE2 N 15 112.295 0.125 . 1 . . . . 69 GLN NE2 . 16611 1 861 . 1 1 70 70 ARG H H 1 8.894 0.011 . 1 . . . . 70 ARG H . 16611 1 862 . 1 1 70 70 ARG HA H 1 4.475 0.006 . 1 . . . . 70 ARG HA . 16611 1 863 . 1 1 70 70 ARG HB2 H 1 1.850 0.011 . 2 . . . . 70 ARG HB2 . 16611 1 864 . 1 1 70 70 ARG HB3 H 1 1.849 0.010 . 2 . . . . 70 ARG HB3 . 16611 1 865 . 1 1 70 70 ARG HD2 H 1 3.238 0.023 . 2 . . . . 70 ARG HD2 . 16611 1 866 . 1 1 70 70 ARG HD3 H 1 3.238 0.027 . 2 . . . . 70 ARG HD3 . 16611 1 867 . 1 1 70 70 ARG HG2 H 1 1.521 0.006 . 2 . . . . 70 ARG HG2 . 16611 1 868 . 1 1 70 70 ARG HG3 H 1 1.523 0.006 . 2 . . . . 70 ARG HG3 . 16611 1 869 . 1 1 70 70 ARG C C 13 177.017 0.100 . 1 . . . . 70 ARG C . 16611 1 870 . 1 1 70 70 ARG CA C 13 57.260 0.007 . 1 . . . . 70 ARG CA . 16611 1 871 . 1 1 70 70 ARG CB C 13 30.697 0.062 . 1 . . . . 70 ARG CB . 16611 1 872 . 1 1 70 70 ARG CD C 13 43.725 0.044 . 1 . . . . 70 ARG CD . 16611 1 873 . 1 1 70 70 ARG CG C 13 28.369 0.090 . 1 . . . . 70 ARG CG . 16611 1 874 . 1 1 70 70 ARG N N 15 125.194 0.036 . 1 . . . . 70 ARG N . 16611 1 875 . 1 1 71 71 ILE H H 1 9.087 0.006 . 1 . . . . 71 ILE H . 16611 1 876 . 1 1 71 71 ILE HA H 1 4.549 0.007 . 1 . . . . 71 ILE HA . 16611 1 877 . 1 1 71 71 ILE HB H 1 1.648 0.018 . 1 . . . . 71 ILE HB . 16611 1 878 . 1 1 71 71 ILE HD11 H 1 0.775 0.012 . 1 . . . . 71 ILE HD11 . 16611 1 879 . 1 1 71 71 ILE HD12 H 1 0.775 0.012 . 1 . . . . 71 ILE HD12 . 16611 1 880 . 1 1 71 71 ILE HD13 H 1 0.775 0.012 . 1 . . . . 71 ILE HD13 . 16611 1 881 . 1 1 71 71 ILE HG12 H 1 1.962 0.019 . 2 . . . . 71 ILE HG12 . 16611 1 882 . 1 1 71 71 ILE HG13 H 1 1.932 0.016 . 2 . . . . 71 ILE HG13 . 16611 1 883 . 1 1 71 71 ILE HG21 H 1 0.915 0.016 . 1 . . . . 71 ILE HG21 . 16611 1 884 . 1 1 71 71 ILE HG22 H 1 0.915 0.016 . 1 . . . . 71 ILE HG22 . 16611 1 885 . 1 1 71 71 ILE HG23 H 1 0.915 0.016 . 1 . . . . 71 ILE HG23 . 16611 1 886 . 1 1 71 71 ILE C C 13 175.976 0.100 . 1 . . . . 71 ILE C . 16611 1 887 . 1 1 71 71 ILE CA C 13 61.532 0.042 . 1 . . . . 71 ILE CA . 16611 1 888 . 1 1 71 71 ILE CB C 13 39.157 0.047 . 1 . . . . 71 ILE CB . 16611 1 889 . 1 1 71 71 ILE CD1 C 13 15.423 0.136 . 1 . . . . 71 ILE CD1 . 16611 1 890 . 1 1 71 71 ILE CG1 C 13 27.751 0.217 . 1 . . . . 71 ILE CG1 . 16611 1 891 . 1 1 71 71 ILE CG2 C 13 18.849 0.183 . 1 . . . . 71 ILE CG2 . 16611 1 892 . 1 1 71 71 ILE N N 15 126.949 0.124 . 1 . . . . 71 ILE N . 16611 1 893 . 1 1 72 72 ALA H H 1 11.082 0.011 . 1 . . . . 72 ALA H . 16611 1 894 . 1 1 72 72 ALA HA H 1 4.420 0.005 . 1 . . . . 72 ALA HA . 16611 1 895 . 1 1 72 72 ALA HB1 H 1 0.920 0.006 . 1 . . . . 72 ALA HB1 . 16611 1 896 . 1 1 72 72 ALA HB2 H 1 0.920 0.006 . 1 . . . . 72 ALA HB2 . 16611 1 897 . 1 1 72 72 ALA HB3 H 1 0.920 0.006 . 1 . . . . 72 ALA HB3 . 16611 1 898 . 1 1 72 72 ALA C C 13 177.885 0.100 . 1 . . . . 72 ALA C . 16611 1 899 . 1 1 72 72 ALA CA C 13 50.853 0.033 . 1 . . . . 72 ALA CA . 16611 1 900 . 1 1 72 72 ALA CB C 13 18.676 0.169 . 1 . . . . 72 ALA CB . 16611 1 901 . 1 1 72 72 ALA N N 15 139.354 0.027 . 1 . . . . 72 ALA N . 16611 1 902 . 1 1 73 73 ASP H H 1 8.823 0.004 . 1 . . . . 73 ASP H . 16611 1 903 . 1 1 73 73 ASP HA H 1 3.929 0.015 . 1 . . . . 73 ASP HA . 16611 1 904 . 1 1 73 73 ASP HB2 H 1 2.613 0.025 . 2 . . . . 73 ASP HB2 . 16611 1 905 . 1 1 73 73 ASP HB3 H 1 2.623 0.025 . 2 . . . . 73 ASP HB3 . 16611 1 906 . 1 1 73 73 ASP C C 13 176.252 0.100 . 1 . . . . 73 ASP C . 16611 1 907 . 1 1 73 73 ASP CA C 13 57.210 0.052 . 1 . . . . 73 ASP CA . 16611 1 908 . 1 1 73 73 ASP CB C 13 40.173 0.100 . 1 . . . . 73 ASP CB . 16611 1 909 . 1 1 73 73 ASP N N 15 120.543 0.106 . 1 . . . . 73 ASP N . 16611 1 910 . 1 1 74 74 ASN H H 1 7.896 0.010 . 1 . . . . 74 ASN H . 16611 1 911 . 1 1 74 74 ASN HA H 1 4.470 0.013 . 1 . . . . 74 ASN HA . 16611 1 912 . 1 1 74 74 ASN HB2 H 1 2.765 0.004 . 2 . . . . 74 ASN HB2 . 16611 1 913 . 1 1 74 74 ASN HB3 H 1 2.627 0.013 . 2 . . . . 74 ASN HB3 . 16611 1 914 . 1 1 74 74 ASN HD21 H 1 7.623 0.027 . 1 . . . . 74 ASN HD21 . 16611 1 915 . 1 1 74 74 ASN HD22 H 1 6.799 0.001 . 1 . . . . 74 ASN HD22 . 16611 1 916 . 1 1 74 74 ASN C C 13 176.216 0.100 . 1 . . . . 74 ASN C . 16611 1 917 . 1 1 74 74 ASN CA C 13 52.143 0.158 . 1 . . . . 74 ASN CA . 16611 1 918 . 1 1 74 74 ASN CB C 13 37.663 0.096 . 1 . . . . 74 ASN CB . 16611 1 919 . 1 1 74 74 ASN N N 15 109.966 0.107 . 1 . . . . 74 ASN N . 16611 1 920 . 1 1 74 74 ASN ND2 N 15 112.204 0.058 . 1 . . . . 74 ASN ND2 . 16611 1 921 . 1 1 75 75 HIS H H 1 7.223 0.009 . 1 . . . . 75 HIS H . 16611 1 922 . 1 1 75 75 HIS HA H 1 4.925 0.025 . 1 . . . . 75 HIS HA . 16611 1 923 . 1 1 75 75 HIS HB2 H 1 3.417 0.010 . 2 . . . . 75 HIS HB2 . 16611 1 924 . 1 1 75 75 HIS HB3 H 1 2.865 0.009 . 2 . . . . 75 HIS HB3 . 16611 1 925 . 1 1 75 75 HIS HD2 H 1 7.229 0.004 . 1 . . . . 75 HIS HD2 . 16611 1 926 . 1 1 75 75 HIS C C 13 175.424 0.100 . 1 . . . . 75 HIS C . 16611 1 927 . 1 1 75 75 HIS CA C 13 56.944 0.100 . 1 . . . . 75 HIS CA . 16611 1 928 . 1 1 75 75 HIS CB C 13 33.597 0.089 . 1 . . . . 75 HIS CB . 16611 1 929 . 1 1 75 75 HIS CD2 C 13 119.561 0.100 . 1 . . . . 75 HIS CD2 . 16611 1 930 . 1 1 75 75 HIS N N 15 119.956 0.076 . 1 . . . . 75 HIS N . 16611 1 931 . 1 1 76 76 THR H H 1 7.244 0.009 . 1 . . . . 76 THR H . 16611 1 932 . 1 1 76 76 THR HA H 1 5.379 0.015 . 1 . . . . 76 THR HA . 16611 1 933 . 1 1 76 76 THR HB H 1 4.540 0.026 . 1 . . . . 76 THR HB . 16611 1 934 . 1 1 76 76 THR HG21 H 1 1.035 0.017 . 1 . . . . 76 THR HG21 . 16611 1 935 . 1 1 76 76 THR HG22 H 1 1.035 0.017 . 1 . . . . 76 THR HG22 . 16611 1 936 . 1 1 76 76 THR HG23 H 1 1.035 0.017 . 1 . . . . 76 THR HG23 . 16611 1 937 . 1 1 76 76 THR C C 13 173.612 0.100 . 1 . . . . 76 THR C . 16611 1 938 . 1 1 76 76 THR CA C 13 57.589 0.100 . 1 . . . . 76 THR CA . 16611 1 939 . 1 1 76 76 THR CB C 13 70.286 0.010 . 1 . . . . 76 THR CB . 16611 1 940 . 1 1 76 76 THR CG2 C 13 21.656 0.082 . 1 . . . . 76 THR CG2 . 16611 1 941 . 1 1 76 76 THR N N 15 108.358 0.078 . 1 . . . . 76 THR N . 16611 1 942 . 1 1 77 77 PRO HA H 1 4.291 0.023 . 1 . . . . 77 PRO HA . 16611 1 943 . 1 1 77 77 PRO HB2 H 1 2.174 0.022 . 2 . . . . 77 PRO HB2 . 16611 1 944 . 1 1 77 77 PRO HB3 H 1 2.150 0.023 . 2 . . . . 77 PRO HB3 . 16611 1 945 . 1 1 77 77 PRO HD2 H 1 3.943 0.013 . 2 . . . . 77 PRO HD2 . 16611 1 946 . 1 1 77 77 PRO HD3 H 1 3.955 0.026 . 2 . . . . 77 PRO HD3 . 16611 1 947 . 1 1 77 77 PRO HG2 H 1 2.248 0.023 . 2 . . . . 77 PRO HG2 . 16611 1 948 . 1 1 77 77 PRO HG3 H 1 2.265 0.017 . 2 . . . . 77 PRO HG3 . 16611 1 949 . 1 1 77 77 PRO C C 13 178.595 0.100 . 1 . . . . 77 PRO C . 16611 1 950 . 1 1 77 77 PRO CA C 13 65.842 0.107 . 1 . . . . 77 PRO CA . 16611 1 951 . 1 1 77 77 PRO CB C 13 32.824 0.135 . 1 . . . . 77 PRO CB . 16611 1 952 . 1 1 77 77 PRO CD C 13 51.070 0.076 . 1 . . . . 77 PRO CD . 16611 1 953 . 1 1 77 77 PRO CG C 13 27.994 0.183 . 1 . . . . 77 PRO CG . 16611 1 954 . 1 1 78 78 LYS H H 1 8.229 0.011 . 1 . . . . 78 LYS H . 16611 1 955 . 1 1 78 78 LYS HA H 1 4.023 0.019 . 1 . . . . 78 LYS HA . 16611 1 956 . 1 1 78 78 LYS HB2 H 1 1.778 0.021 . 2 . . . . 78 LYS HB2 . 16611 1 957 . 1 1 78 78 LYS HB3 H 1 1.752 0.009 . 2 . . . . 78 LYS HB3 . 16611 1 958 . 1 1 78 78 LYS HD2 H 1 1.642 0.007 . 2 . . . . 78 LYS HD2 . 16611 1 959 . 1 1 78 78 LYS HD3 H 1 1.650 0.012 . 2 . . . . 78 LYS HD3 . 16611 1 960 . 1 1 78 78 LYS HE2 H 1 2.965 0.015 . 2 . . . . 78 LYS HE2 . 16611 1 961 . 1 1 78 78 LYS HE3 H 1 2.958 0.006 . 2 . . . . 78 LYS HE3 . 16611 1 962 . 1 1 78 78 LYS HG2 H 1 1.415 0.016 . 2 . . . . 78 LYS HG2 . 16611 1 963 . 1 1 78 78 LYS HG3 H 1 1.413 0.013 . 2 . . . . 78 LYS HG3 . 16611 1 964 . 1 1 78 78 LYS C C 13 179.369 0.100 . 1 . . . . 78 LYS C . 16611 1 965 . 1 1 78 78 LYS CA C 13 59.034 0.059 . 1 . . . . 78 LYS CA . 16611 1 966 . 1 1 78 78 LYS CB C 13 32.882 0.227 . 1 . . . . 78 LYS CB . 16611 1 967 . 1 1 78 78 LYS CD C 13 29.472 0.029 . 1 . . . . 78 LYS CD . 16611 1 968 . 1 1 78 78 LYS CE C 13 42.154 0.019 . 1 . . . . 78 LYS CE . 16611 1 969 . 1 1 78 78 LYS CG C 13 24.482 0.148 . 1 . . . . 78 LYS CG . 16611 1 970 . 1 1 78 78 LYS N N 15 115.404 0.052 . 1 . . . . 78 LYS N . 16611 1 971 . 1 1 79 79 GLU H H 1 8.068 0.008 . 1 . . . . 79 GLU H . 16611 1 972 . 1 1 79 79 GLU HA H 1 4.025 0.016 . 1 . . . . 79 GLU HA . 16611 1 973 . 1 1 79 79 GLU HB2 H 1 2.160 0.025 . 2 . . . . 79 GLU HB2 . 16611 1 974 . 1 1 79 79 GLU HB3 H 1 2.094 0.100 . 2 . . . . 79 GLU HB3 . 16611 1 975 . 1 1 79 79 GLU HG2 H 1 2.325 0.032 . 2 . . . . 79 GLU HG2 . 16611 1 976 . 1 1 79 79 GLU HG3 H 1 2.348 0.029 . 2 . . . . 79 GLU HG3 . 16611 1 977 . 1 1 79 79 GLU C C 13 178.554 0.100 . 1 . . . . 79 GLU C . 16611 1 978 . 1 1 79 79 GLU CA C 13 58.968 0.100 . 1 . . . . 79 GLU CA . 16611 1 979 . 1 1 79 79 GLU CB C 13 29.678 0.072 . 1 . . . . 79 GLU CB . 16611 1 980 . 1 1 79 79 GLU CG C 13 36.239 0.078 . 1 . . . . 79 GLU CG . 16611 1 981 . 1 1 79 79 GLU N N 15 121.059 0.065 . 1 . . . . 79 GLU N . 16611 1 982 . 1 1 80 80 LEU H H 1 7.550 0.008 . 1 . . . . 80 LEU H . 16611 1 983 . 1 1 80 80 LEU HA H 1 4.299 0.009 . 1 . . . . 80 LEU HA . 16611 1 984 . 1 1 80 80 LEU HB2 H 1 1.483 0.015 . 2 . . . . 80 LEU HB2 . 16611 1 985 . 1 1 80 80 LEU HB3 H 1 1.501 0.022 . 2 . . . . 80 LEU HB3 . 16611 1 986 . 1 1 80 80 LEU HD11 H 1 0.641 0.023 . 2 . . . . 80 LEU HD11 . 16611 1 987 . 1 1 80 80 LEU HD12 H 1 0.641 0.023 . 2 . . . . 80 LEU HD12 . 16611 1 988 . 1 1 80 80 LEU HD13 H 1 0.641 0.023 . 2 . . . . 80 LEU HD13 . 16611 1 989 . 1 1 80 80 LEU HD21 H 1 0.345 0.007 . 2 . . . . 80 LEU HD21 . 16611 1 990 . 1 1 80 80 LEU HD22 H 1 0.345 0.007 . 2 . . . . 80 LEU HD22 . 16611 1 991 . 1 1 80 80 LEU HD23 H 1 0.345 0.007 . 2 . . . . 80 LEU HD23 . 16611 1 992 . 1 1 80 80 LEU HG H 1 1.449 0.018 . 1 . . . . 80 LEU HG . 16611 1 993 . 1 1 80 80 LEU C C 13 176.588 0.100 . 1 . . . . 80 LEU C . 16611 1 994 . 1 1 80 80 LEU CA C 13 54.827 0.100 . 1 . . . . 80 LEU CA . 16611 1 995 . 1 1 80 80 LEU CB C 13 42.907 0.100 . 1 . . . . 80 LEU CB . 16611 1 996 . 1 1 80 80 LEU CD1 C 13 26.141 0.098 . 2 . . . . 80 LEU CD1 . 16611 1 997 . 1 1 80 80 LEU CD2 C 13 20.834 0.103 . 2 . . . . 80 LEU CD2 . 16611 1 998 . 1 1 80 80 LEU CG C 13 27.162 0.174 . 1 . . . . 80 LEU CG . 16611 1 999 . 1 1 80 80 LEU N N 15 114.910 0.046 . 1 . . . . 80 LEU N . 16611 1 1000 . 1 1 81 81 GLY H H 1 7.746 0.010 . 1 . . . . 81 GLY H . 16611 1 1001 . 1 1 81 81 GLY HA2 H 1 4.007 0.008 . 1 . . . . 81 GLY HA2 . 16611 1 1002 . 1 1 81 81 GLY HA3 H 1 4.007 0.008 . 1 . . . . 81 GLY HA3 . 16611 1 1003 . 1 1 81 81 GLY C C 13 175.433 0.100 . 1 . . . . 81 GLY C . 16611 1 1004 . 1 1 81 81 GLY CA C 13 46.572 0.100 . 1 . . . . 81 GLY CA . 16611 1 1005 . 1 1 81 81 GLY N N 15 108.302 0.034 . 1 . . . . 81 GLY N . 16611 1 1006 . 1 1 82 82 MET H H 1 7.754 0.009 . 1 . . . . 82 MET H . 16611 1 1007 . 1 1 82 82 MET HA H 1 4.248 0.100 . 1 . . . . 82 MET HA . 16611 1 1008 . 1 1 82 82 MET HB2 H 1 1.807 0.006 . 2 . . . . 82 MET HB2 . 16611 1 1009 . 1 1 82 82 MET HB3 H 1 1.854 0.036 . 2 . . . . 82 MET HB3 . 16611 1 1010 . 1 1 82 82 MET HE1 H 1 1.978 0.001 . 1 . . . . 82 MET HE1 . 16611 1 1011 . 1 1 82 82 MET HE2 H 1 1.978 0.001 . 1 . . . . 82 MET HE2 . 16611 1 1012 . 1 1 82 82 MET HE3 H 1 1.978 0.001 . 1 . . . . 82 MET HE3 . 16611 1 1013 . 1 1 82 82 MET HG2 H 1 2.007 0.016 . 1 . . . . 82 MET HG2 . 16611 1 1014 . 1 1 82 82 MET HG3 H 1 2.007 0.016 . 1 . . . . 82 MET HG3 . 16611 1 1015 . 1 1 82 82 MET C C 13 174.406 0.100 . 1 . . . . 82 MET C . 16611 1 1016 . 1 1 82 82 MET CA C 13 57.224 0.100 . 1 . . . . 82 MET CA . 16611 1 1017 . 1 1 82 82 MET CB C 13 34.802 0.100 . 1 . . . . 82 MET CB . 16611 1 1018 . 1 1 82 82 MET CE C 13 15.759 0.052 . 1 . . . . 82 MET CE . 16611 1 1019 . 1 1 82 82 MET CG C 13 33.059 0.100 . 1 . . . . 82 MET CG . 16611 1 1020 . 1 1 82 82 MET N N 15 117.904 0.027 . 1 . . . . 82 MET N . 16611 1 1021 . 1 1 83 83 GLU H H 1 9.388 0.006 . 1 . . . . 83 GLU H . 16611 1 1022 . 1 1 83 83 GLU HA H 1 4.513 0.009 . 1 . . . . 83 GLU HA . 16611 1 1023 . 1 1 83 83 GLU HB2 H 1 2.147 0.023 . 2 . . . . 83 GLU HB2 . 16611 1 1024 . 1 1 83 83 GLU HB3 H 1 1.948 0.100 . 2 . . . . 83 GLU HB3 . 16611 1 1025 . 1 1 83 83 GLU HG2 H 1 2.282 0.100 . 1 . . . . 83 GLU HG2 . 16611 1 1026 . 1 1 83 83 GLU HG3 H 1 2.282 0.100 . 1 . . . . 83 GLU HG3 . 16611 1 1027 . 1 1 83 83 GLU C C 13 174.120 0.100 . 1 . . . . 83 GLU C . 16611 1 1028 . 1 1 83 83 GLU CA C 13 54.073 0.100 . 1 . . . . 83 GLU CA . 16611 1 1029 . 1 1 83 83 GLU CB C 13 33.862 0.014 . 1 . . . . 83 GLU CB . 16611 1 1030 . 1 1 83 83 GLU CG C 13 36.031 0.100 . 1 . . . . 83 GLU CG . 16611 1 1031 . 1 1 83 83 GLU N N 15 120.906 0.080 . 1 . . . . 83 GLU N . 16611 1 1032 . 1 1 84 84 GLU H H 1 8.387 0.005 . 1 . . . . 84 GLU H . 16611 1 1033 . 1 1 84 84 GLU HA H 1 4.292 0.010 . 1 . . . . 84 GLU HA . 16611 1 1034 . 1 1 84 84 GLU HB2 H 1 2.181 0.011 . 2 . . . . 84 GLU HB2 . 16611 1 1035 . 1 1 84 84 GLU HB3 H 1 2.028 0.017 . 2 . . . . 84 GLU HB3 . 16611 1 1036 . 1 1 84 84 GLU HG2 H 1 2.365 0.016 . 2 . . . . 84 GLU HG2 . 16611 1 1037 . 1 1 84 84 GLU HG3 H 1 2.353 0.028 . 2 . . . . 84 GLU HG3 . 16611 1 1038 . 1 1 84 84 GLU C C 13 177.543 0.100 . 1 . . . . 84 GLU C . 16611 1 1039 . 1 1 84 84 GLU CA C 13 58.497 0.125 . 1 . . . . 84 GLU CA . 16611 1 1040 . 1 1 84 84 GLU CB C 13 30.039 0.041 . 1 . . . . 84 GLU CB . 16611 1 1041 . 1 1 84 84 GLU CG C 13 36.343 0.050 . 1 . . . . 84 GLU CG . 16611 1 1042 . 1 1 84 84 GLU N N 15 118.977 0.087 . 1 . . . . 84 GLU N . 16611 1 1043 . 1 1 85 85 GLU H H 1 9.515 0.010 . 1 . . . . 85 GLU H . 16611 1 1044 . 1 1 85 85 GLU HA H 1 3.714 0.017 . 1 . . . . 85 GLU HA . 16611 1 1045 . 1 1 85 85 GLU HB2 H 1 2.437 0.016 . 2 . . . . 85 GLU HB2 . 16611 1 1046 . 1 1 85 85 GLU HB3 H 1 2.440 0.016 . 2 . . . . 85 GLU HB3 . 16611 1 1047 . 1 1 85 85 GLU HG2 H 1 2.464 0.014 . 2 . . . . 85 GLU HG2 . 16611 1 1048 . 1 1 85 85 GLU HG3 H 1 2.448 0.005 . 2 . . . . 85 GLU HG3 . 16611 1 1049 . 1 1 85 85 GLU C C 13 175.066 0.100 . 1 . . . . 85 GLU C . 16611 1 1050 . 1 1 85 85 GLU CA C 13 58.845 0.100 . 1 . . . . 85 GLU CA . 16611 1 1051 . 1 1 85 85 GLU CB C 13 26.740 0.009 . 1 . . . . 85 GLU CB . 16611 1 1052 . 1 1 85 85 GLU CG C 13 37.441 0.095 . 1 . . . . 85 GLU CG . 16611 1 1053 . 1 1 85 85 GLU N N 15 119.199 0.081 . 1 . . . . 85 GLU N . 16611 1 1054 . 1 1 86 86 ASP H H 1 8.235 0.004 . 1 . . . . 86 ASP H . 16611 1 1055 . 1 1 86 86 ASP HA H 1 4.930 0.025 . 1 . . . . 86 ASP HA . 16611 1 1056 . 1 1 86 86 ASP HB2 H 1 3.068 0.020 . 2 . . . . 86 ASP HB2 . 16611 1 1057 . 1 1 86 86 ASP HB3 H 1 2.808 0.025 . 2 . . . . 86 ASP HB3 . 16611 1 1058 . 1 1 86 86 ASP C C 13 174.416 0.100 . 1 . . . . 86 ASP C . 16611 1 1059 . 1 1 86 86 ASP CA C 13 55.905 0.100 . 1 . . . . 86 ASP CA . 16611 1 1060 . 1 1 86 86 ASP CB C 13 41.953 0.254 . 1 . . . . 86 ASP CB . 16611 1 1061 . 1 1 86 86 ASP N N 15 120.443 0.046 . 1 . . . . 86 ASP N . 16611 1 1062 . 1 1 87 87 VAL H H 1 8.256 0.010 . 1 . . . . 87 VAL H . 16611 1 1063 . 1 1 87 87 VAL HA H 1 5.033 0.005 . 1 . . . . 87 VAL HA . 16611 1 1064 . 1 1 87 87 VAL HB H 1 2.084 0.014 . 1 . . . . 87 VAL HB . 16611 1 1065 . 1 1 87 87 VAL C C 13 175.970 0.100 . 1 . . . . 87 VAL C . 16611 1 1066 . 1 1 87 87 VAL CA C 13 61.210 0.100 . 1 . . . . 87 VAL CA . 16611 1 1067 . 1 1 87 87 VAL CB C 13 35.363 0.187 . 1 . . . . 87 VAL CB . 16611 1 1068 . 1 1 87 87 VAL N N 15 116.661 0.086 . 1 . . . . 87 VAL N . 16611 1 1069 . 1 1 88 88 ILE H H 1 9.264 0.016 . 1 . . . . 88 ILE H . 16611 1 1070 . 1 1 88 88 ILE HA H 1 4.902 0.018 . 1 . . . . 88 ILE HA . 16611 1 1071 . 1 1 88 88 ILE HB H 1 1.796 0.007 . 1 . . . . 88 ILE HB . 16611 1 1072 . 1 1 88 88 ILE HD11 H 1 0.695 0.017 . 1 . . . . 88 ILE HD11 . 16611 1 1073 . 1 1 88 88 ILE HD12 H 1 0.695 0.017 . 1 . . . . 88 ILE HD12 . 16611 1 1074 . 1 1 88 88 ILE HD13 H 1 0.695 0.017 . 1 . . . . 88 ILE HD13 . 16611 1 1075 . 1 1 88 88 ILE HG12 H 1 0.928 0.017 . 2 . . . . 88 ILE HG12 . 16611 1 1076 . 1 1 88 88 ILE HG13 H 1 0.964 0.029 . 2 . . . . 88 ILE HG13 . 16611 1 1077 . 1 1 88 88 ILE HG21 H 1 0.983 0.010 . 1 . . . . 88 ILE HG21 . 16611 1 1078 . 1 1 88 88 ILE HG22 H 1 0.983 0.010 . 1 . . . . 88 ILE HG22 . 16611 1 1079 . 1 1 88 88 ILE HG23 H 1 0.983 0.010 . 1 . . . . 88 ILE HG23 . 16611 1 1080 . 1 1 88 88 ILE C C 13 174.757 0.100 . 1 . . . . 88 ILE C . 16611 1 1081 . 1 1 88 88 ILE CA C 13 59.767 0.100 . 1 . . . . 88 ILE CA . 16611 1 1082 . 1 1 88 88 ILE CB C 13 41.043 0.003 . 1 . . . . 88 ILE CB . 16611 1 1083 . 1 1 88 88 ILE CD1 C 13 15.117 0.107 . 1 . . . . 88 ILE CD1 . 16611 1 1084 . 1 1 88 88 ILE CG1 C 13 27.851 0.069 . 1 . . . . 88 ILE CG1 . 16611 1 1085 . 1 1 88 88 ILE CG2 C 13 18.160 0.105 . 1 . . . . 88 ILE CG2 . 16611 1 1086 . 1 1 88 88 ILE N N 15 127.450 0.055 . 1 . . . . 88 ILE N . 16611 1 1087 . 1 1 89 89 GLU H H 1 8.915 0.009 . 1 . . . . 89 GLU H . 16611 1 1088 . 1 1 89 89 GLU HA H 1 4.922 0.012 . 1 . . . . 89 GLU HA . 16611 1 1089 . 1 1 89 89 GLU HB2 H 1 2.009 0.017 . 2 . . . . 89 GLU HB2 . 16611 1 1090 . 1 1 89 89 GLU HB3 H 1 2.011 0.013 . 2 . . . . 89 GLU HB3 . 16611 1 1091 . 1 1 89 89 GLU HG2 H 1 2.381 0.026 . 2 . . . . 89 GLU HG2 . 16611 1 1092 . 1 1 89 89 GLU HG3 H 1 2.178 0.017 . 2 . . . . 89 GLU HG3 . 16611 1 1093 . 1 1 89 89 GLU C C 13 175.200 0.100 . 1 . . . . 89 GLU C . 16611 1 1094 . 1 1 89 89 GLU CA C 13 55.163 0.100 . 1 . . . . 89 GLU CA . 16611 1 1095 . 1 1 89 89 GLU CB C 13 33.602 0.127 . 1 . . . . 89 GLU CB . 16611 1 1096 . 1 1 89 89 GLU CG C 13 37.024 0.100 . 1 . . . . 89 GLU CG . 16611 1 1097 . 1 1 89 89 GLU N N 15 125.882 0.079 . 1 . . . . 89 GLU N . 16611 1 1098 . 1 1 90 90 VAL H H 1 7.823 0.005 . 1 . . . . 90 VAL H . 16611 1 1099 . 1 1 90 90 VAL HA H 1 4.906 0.018 . 1 . . . . 90 VAL HA . 16611 1 1100 . 1 1 90 90 VAL HB H 1 1.340 0.014 . 1 . . . . 90 VAL HB . 16611 1 1101 . 1 1 90 90 VAL HG11 H 1 0.271 0.009 . 2 . . . . 90 VAL HG11 . 16611 1 1102 . 1 1 90 90 VAL HG12 H 1 0.271 0.009 . 2 . . . . 90 VAL HG12 . 16611 1 1103 . 1 1 90 90 VAL HG13 H 1 0.271 0.009 . 2 . . . . 90 VAL HG13 . 16611 1 1104 . 1 1 90 90 VAL HG21 H 1 0.106 0.011 . 2 . . . . 90 VAL HG21 . 16611 1 1105 . 1 1 90 90 VAL HG22 H 1 0.106 0.011 . 2 . . . . 90 VAL HG22 . 16611 1 1106 . 1 1 90 90 VAL HG23 H 1 0.106 0.011 . 2 . . . . 90 VAL HG23 . 16611 1 1107 . 1 1 90 90 VAL C C 13 174.893 0.100 . 1 . . . . 90 VAL C . 16611 1 1108 . 1 1 90 90 VAL CA C 13 59.652 0.100 . 1 . . . . 90 VAL CA . 16611 1 1109 . 1 1 90 90 VAL CB C 13 34.214 0.070 . 1 . . . . 90 VAL CB . 16611 1 1110 . 1 1 90 90 VAL CG1 C 13 21.998 0.051 . 2 . . . . 90 VAL CG1 . 16611 1 1111 . 1 1 90 90 VAL CG2 C 13 22.348 0.069 . 2 . . . . 90 VAL CG2 . 16611 1 1112 . 1 1 90 90 VAL N N 15 119.706 0.061 . 1 . . . . 90 VAL N . 16611 1 1113 . 1 1 91 91 TYR H H 1 8.620 0.009 . 1 . . . . 91 TYR H . 16611 1 1114 . 1 1 91 91 TYR HA H 1 4.729 0.035 . 1 . . . . 91 TYR HA . 16611 1 1115 . 1 1 91 91 TYR HB2 H 1 3.095 0.015 . 2 . . . . 91 TYR HB2 . 16611 1 1116 . 1 1 91 91 TYR HB3 H 1 2.414 0.013 . 2 . . . . 91 TYR HB3 . 16611 1 1117 . 1 1 91 91 TYR HD1 H 1 6.884 0.013 . 3 . . . . 91 TYR HD1 . 16611 1 1118 . 1 1 91 91 TYR HD2 H 1 6.884 0.013 . 3 . . . . 91 TYR HD2 . 16611 1 1119 . 1 1 91 91 TYR HE1 H 1 6.666 0.005 . 3 . . . . 91 TYR HE1 . 16611 1 1120 . 1 1 91 91 TYR HE2 H 1 6.666 0.005 . 3 . . . . 91 TYR HE2 . 16611 1 1121 . 1 1 91 91 TYR C C 13 174.597 0.100 . 1 . . . . 91 TYR C . 16611 1 1122 . 1 1 91 91 TYR CA C 13 56.301 0.100 . 1 . . . . 91 TYR CA . 16611 1 1123 . 1 1 91 91 TYR CB C 13 42.730 0.169 . 1 . . . . 91 TYR CB . 16611 1 1124 . 1 1 91 91 TYR CD1 C 13 132.943 0.056 . 3 . . . . 91 TYR CD1 . 16611 1 1125 . 1 1 91 91 TYR CD2 C 13 132.943 0.056 . 3 . . . . 91 TYR CD2 . 16611 1 1126 . 1 1 91 91 TYR CE1 C 13 118.531 0.164 . 3 . . . . 91 TYR CE1 . 16611 1 1127 . 1 1 91 91 TYR CE2 C 13 118.531 0.164 . 3 . . . . 91 TYR CE2 . 16611 1 1128 . 1 1 91 91 TYR N N 15 124.221 0.098 . 1 . . . . 91 TYR N . 16611 1 1129 . 1 1 92 92 GLN H H 1 8.826 0.011 . 1 . . . . 92 GLN H . 16611 1 1130 . 1 1 92 92 GLN HA H 1 4.570 0.020 . 1 . . . . 92 GLN HA . 16611 1 1131 . 1 1 92 92 GLN HB2 H 1 2.043 0.016 . 2 . . . . 92 GLN HB2 . 16611 1 1132 . 1 1 92 92 GLN HB3 H 1 2.170 0.014 . 2 . . . . 92 GLN HB3 . 16611 1 1133 . 1 1 92 92 GLN HE21 H 1 7.628 0.100 . 1 . . . . 92 GLN HE21 . 16611 1 1134 . 1 1 92 92 GLN HE22 H 1 6.896 0.033 . 1 . . . . 92 GLN HE22 . 16611 1 1135 . 1 1 92 92 GLN HG2 H 1 2.427 0.100 . 2 . . . . 92 GLN HG2 . 16611 1 1136 . 1 1 92 92 GLN HG3 H 1 2.489 0.014 . 2 . . . . 92 GLN HG3 . 16611 1 1137 . 1 1 92 92 GLN C C 13 176.757 0.100 . 1 . . . . 92 GLN C . 16611 1 1138 . 1 1 92 92 GLN CA C 13 56.222 0.191 . 1 . . . . 92 GLN CA . 16611 1 1139 . 1 1 92 92 GLN CB C 13 29.584 0.110 . 1 . . . . 92 GLN CB . 16611 1 1140 . 1 1 92 92 GLN CG C 13 34.069 0.038 . 1 . . . . 92 GLN CG . 16611 1 1141 . 1 1 92 92 GLN N N 15 120.735 0.048 . 1 . . . . 92 GLN N . 16611 1 1142 . 1 1 92 92 GLN NE2 N 15 112.512 0.100 . 1 . . . . 92 GLN NE2 . 16611 1 1143 . 1 1 93 93 GLU H H 1 8.479 0.007 . 1 . . . . 93 GLU H . 16611 1 1144 . 1 1 93 93 GLU HA H 1 4.457 0.015 . 1 . . . . 93 GLU HA . 16611 1 1145 . 1 1 93 93 GLU HB2 H 1 1.963 0.011 . 2 . . . . 93 GLU HB2 . 16611 1 1146 . 1 1 93 93 GLU HB3 H 1 1.721 0.013 . 2 . . . . 93 GLU HB3 . 16611 1 1147 . 1 1 93 93 GLU HG2 H 1 2.122 0.024 . 2 . . . . 93 GLU HG2 . 16611 1 1148 . 1 1 93 93 GLU HG3 H 1 2.105 0.016 . 2 . . . . 93 GLU HG3 . 16611 1 1149 . 1 1 93 93 GLU C C 13 176.206 0.100 . 1 . . . . 93 GLU C . 16611 1 1150 . 1 1 93 93 GLU CA C 13 56.209 0.041 . 1 . . . . 93 GLU CA . 16611 1 1151 . 1 1 93 93 GLU CB C 13 30.718 0.186 . 1 . . . . 93 GLU CB . 16611 1 1152 . 1 1 93 93 GLU CG C 13 35.564 0.117 . 1 . . . . 93 GLU CG . 16611 1 1153 . 1 1 93 93 GLU N N 15 125.104 0.021 . 1 . . . . 93 GLU N . 16611 1 1154 . 1 1 94 94 GLN H H 1 8.864 0.009 . 1 . . . . 94 GLN H . 16611 1 1155 . 1 1 94 94 GLN HA H 1 4.512 0.021 . 1 . . . . 94 GLN HA . 16611 1 1156 . 1 1 94 94 GLN HB2 H 1 2.175 0.004 . 2 . . . . 94 GLN HB2 . 16611 1 1157 . 1 1 94 94 GLN HB3 H 1 2.090 0.008 . 2 . . . . 94 GLN HB3 . 16611 1 1158 . 1 1 94 94 GLN HG2 H 1 2.403 0.100 . 2 . . . . 94 GLN HG2 . 16611 1 1159 . 1 1 94 94 GLN HG3 H 1 2.399 0.009 . 2 . . . . 94 GLN HG3 . 16611 1 1160 . 1 1 94 94 GLN C C 13 176.040 0.100 . 1 . . . . 94 GLN C . 16611 1 1161 . 1 1 94 94 GLN CA C 13 55.802 0.020 . 1 . . . . 94 GLN CA . 16611 1 1162 . 1 1 94 94 GLN CB C 13 29.424 0.142 . 1 . . . . 94 GLN CB . 16611 1 1163 . 1 1 94 94 GLN CG C 13 33.843 0.075 . 1 . . . . 94 GLN CG . 16611 1 1164 . 1 1 94 94 GLN N N 15 122.939 0.029 . 1 . . . . 94 GLN N . 16611 1 1165 . 1 1 95 95 THR H H 1 8.471 0.015 . 1 . . . . 95 THR H . 16611 1 1166 . 1 1 95 95 THR HA H 1 4.404 0.007 . 1 . . . . 95 THR HA . 16611 1 1167 . 1 1 95 95 THR HB H 1 4.301 0.010 . 1 . . . . 95 THR HB . 16611 1 1168 . 1 1 95 95 THR HG21 H 1 1.245 0.012 . 1 . . . . 95 THR HG21 . 16611 1 1169 . 1 1 95 95 THR HG22 H 1 1.245 0.012 . 1 . . . . 95 THR HG22 . 16611 1 1170 . 1 1 95 95 THR HG23 H 1 1.245 0.012 . 1 . . . . 95 THR HG23 . 16611 1 1171 . 1 1 95 95 THR C C 13 175.119 0.100 . 1 . . . . 95 THR C . 16611 1 1172 . 1 1 95 95 THR CA C 13 62.086 0.021 . 1 . . . . 95 THR CA . 16611 1 1173 . 1 1 95 95 THR CB C 13 69.956 0.100 . 1 . . . . 95 THR CB . 16611 1 1174 . 1 1 95 95 THR CG2 C 13 21.630 0.045 . 1 . . . . 95 THR CG2 . 16611 1 1175 . 1 1 95 95 THR N N 15 116.085 0.007 . 1 . . . . 95 THR N . 16611 1 1176 . 1 1 96 96 GLY H H 1 8.594 0.003 . 1 . . . . 96 GLY H . 16611 1 1177 . 1 1 96 96 GLY HA2 H 1 4.017 0.017 . 2 . . . . 96 GLY HA2 . 16611 1 1178 . 1 1 96 96 GLY HA3 H 1 4.038 0.100 . 2 . . . . 96 GLY HA3 . 16611 1 1179 . 1 1 96 96 GLY C C 13 173.668 0.100 . 1 . . . . 96 GLY C . 16611 1 1180 . 1 1 96 96 GLY CA C 13 45.498 0.100 . 1 . . . . 96 GLY CA . 16611 1 1181 . 1 1 96 96 GLY N N 15 111.900 0.019 . 1 . . . . 96 GLY N . 16611 1 1182 . 1 1 97 97 GLY H H 1 8.100 0.012 . 1 . . . . 97 GLY H . 16611 1 1183 . 1 1 97 97 GLY HA2 H 1 3.805 0.002 . 1 . . . . 97 GLY HA2 . 16611 1 1184 . 1 1 97 97 GLY HA3 H 1 3.805 0.002 . 1 . . . . 97 GLY HA3 . 16611 1 1185 . 1 1 97 97 GLY C C 13 179.157 0.100 . 1 . . . . 97 GLY C . 16611 1 1186 . 1 1 97 97 GLY CA C 13 46.151 0.060 . 1 . . . . 97 GLY CA . 16611 1 1187 . 1 1 97 97 GLY N N 15 115.423 0.100 . 1 . . . . 97 GLY N . 16611 1 1188 . 2 2 1 1 LYS HA H 1 4.432 0.003 . 1 . . . . 721 LYS HA . 16611 1 1189 . 2 2 1 1 LYS HB2 H 1 1.925 0.030 . 2 . . . . 721 LYS HB2 . 16611 1 1190 . 2 2 1 1 LYS HB3 H 1 1.797 0.013 . 2 . . . . 721 LYS HB3 . 16611 1 1191 . 2 2 1 1 LYS HD2 H 1 1.726 0.009 . 1 . . . . 721 LYS HD2 . 16611 1 1192 . 2 2 1 1 LYS HD3 H 1 1.726 0.009 . 1 . . . . 721 LYS HD3 . 16611 1 1193 . 2 2 1 1 LYS HE2 H 1 3.041 0.006 . 1 . . . . 721 LYS HE2 . 16611 1 1194 . 2 2 1 1 LYS HE3 H 1 3.041 0.006 . 1 . . . . 721 LYS HE3 . 16611 1 1195 . 2 2 1 1 LYS HG2 H 1 1.510 0.007 . 2 . . . . 721 LYS HG2 . 16611 1 1196 . 2 2 1 1 LYS HG3 H 1 1.498 0.023 . 2 . . . . 721 LYS HG3 . 16611 1 1197 . 2 2 1 1 LYS CA C 13 56.341 0.136 . 1 . . . . 721 LYS CA . 16611 1 1198 . 2 2 1 1 LYS CB C 13 33.239 0.101 . 1 . . . . 721 LYS CB . 16611 1 1199 . 2 2 1 1 LYS CD C 13 29.200 0.068 . 1 . . . . 721 LYS CD . 16611 1 1200 . 2 2 1 1 LYS CE C 13 42.255 0.110 . 1 . . . . 721 LYS CE . 16611 1 1201 . 2 2 1 1 LYS CG C 13 24.953 0.100 . 1 . . . . 721 LYS CG . 16611 1 1202 . 2 2 2 2 THR H H 1 8.314 0.003 . 1 . . . . 722 THR H . 16611 1 1203 . 2 2 2 2 THR HA H 1 4.356 0.001 . 1 . . . . 722 THR HA . 16611 1 1204 . 2 2 2 2 THR HB H 1 4.276 0.003 . 1 . . . . 722 THR HB . 16611 1 1205 . 2 2 2 2 THR HG21 H 1 1.256 0.010 . 1 . . . . 722 THR HG21 . 16611 1 1206 . 2 2 2 2 THR HG22 H 1 1.256 0.010 . 1 . . . . 722 THR HG22 . 16611 1 1207 . 2 2 2 2 THR HG23 H 1 1.256 0.010 . 1 . . . . 722 THR HG23 . 16611 1 1208 . 2 2 2 2 THR C C 13 174.491 0.100 . 1 . . . . 722 THR C . 16611 1 1209 . 2 2 2 2 THR CA C 13 61.960 0.018 . 1 . . . . 722 THR CA . 16611 1 1210 . 2 2 2 2 THR CB C 13 69.972 0.100 . 1 . . . . 722 THR CB . 16611 1 1211 . 2 2 2 2 THR CG2 C 13 21.740 0.053 . 1 . . . . 722 THR CG2 . 16611 1 1212 . 2 2 2 2 THR N N 15 115.821 0.069 . 1 . . . . 722 THR N . 16611 1 1213 . 2 2 3 3 SER H H 1 8.483 0.009 . 1 . . . . 723 SER H . 16611 1 1214 . 2 2 3 3 SER HA H 1 4.223 0.100 . 1 . . . . 723 SER HA . 16611 1 1215 . 2 2 3 3 SER HB2 H 1 3.924 0.004 . 2 . . . . 723 SER HB2 . 16611 1 1216 . 2 2 3 3 SER HB3 H 1 3.926 0.002 . 2 . . . . 723 SER HB3 . 16611 1 1217 . 2 2 3 3 SER CA C 13 57.378 0.100 . 1 . . . . 723 SER CA . 16611 1 1218 . 2 2 3 3 SER CB C 13 63.331 0.100 . 1 . . . . 723 SER CB . 16611 1 1219 . 2 2 3 3 SER N N 15 118.617 0.100 . 1 . . . . 723 SER N . 16611 1 1220 . 2 2 4 4 VAL H H 1 8.253 0.003 . 1 . . . . 724 VAL H . 16611 1 1221 . 2 2 4 4 VAL HA H 1 4.201 0.002 . 1 . . . . 724 VAL HA . 16611 1 1222 . 2 2 4 4 VAL HB H 1 2.143 0.010 . 1 . . . . 724 VAL HB . 16611 1 1223 . 2 2 4 4 VAL HG11 H 1 0.986 0.005 . 2 . . . . 724 VAL HG11 . 16611 1 1224 . 2 2 4 4 VAL HG12 H 1 0.986 0.005 . 2 . . . . 724 VAL HG12 . 16611 1 1225 . 2 2 4 4 VAL HG13 H 1 0.986 0.005 . 2 . . . . 724 VAL HG13 . 16611 1 1226 . 2 2 4 4 VAL HG21 H 1 0.993 0.002 . 2 . . . . 724 VAL HG21 . 16611 1 1227 . 2 2 4 4 VAL HG22 H 1 0.993 0.002 . 2 . . . . 724 VAL HG22 . 16611 1 1228 . 2 2 4 4 VAL HG23 H 1 0.993 0.002 . 2 . . . . 724 VAL HG23 . 16611 1 1229 . 2 2 4 4 VAL C C 13 175.970 0.100 . 1 . . . . 724 VAL C . 16611 1 1230 . 2 2 4 4 VAL CA C 13 62.125 0.229 . 1 . . . . 724 VAL CA . 16611 1 1231 . 2 2 4 4 VAL CB C 13 32.784 0.067 . 1 . . . . 724 VAL CB . 16611 1 1232 . 2 2 4 4 VAL CG1 C 13 20.884 0.135 . 2 . . . . 724 VAL CG1 . 16611 1 1233 . 2 2 4 4 VAL CG2 C 13 20.627 0.100 . 2 . . . . 724 VAL CG2 . 16611 1 1234 . 2 2 4 4 VAL N N 15 121.809 0.059 . 1 . . . . 724 VAL N . 16611 1 1235 . 2 2 5 5 ALA H H 1 8.488 0.004 . 1 . . . . 725 ALA H . 16611 1 1236 . 2 2 5 5 ALA HA H 1 4.415 0.015 . 1 . . . . 725 ALA HA . 16611 1 1237 . 2 2 5 5 ALA HB1 H 1 1.455 0.009 . 1 . . . . 725 ALA HB1 . 16611 1 1238 . 2 2 5 5 ALA HB2 H 1 1.455 0.009 . 1 . . . . 725 ALA HB2 . 16611 1 1239 . 2 2 5 5 ALA HB3 H 1 1.455 0.009 . 1 . . . . 725 ALA HB3 . 16611 1 1240 . 2 2 5 5 ALA C C 13 177.904 0.100 . 1 . . . . 725 ALA C . 16611 1 1241 . 2 2 5 5 ALA CA C 13 52.709 0.100 . 1 . . . . 725 ALA CA . 16611 1 1242 . 2 2 5 5 ALA CB C 13 19.341 0.100 . 1 . . . . 725 ALA CB . 16611 1 1243 . 2 2 5 5 ALA N N 15 127.907 0.024 . 1 . . . . 725 ALA N . 16611 1 1244 . 2 2 6 6 THR H H 1 8.213 0.005 . 1 . . . . 726 THR H . 16611 1 1245 . 2 2 6 6 THR HA H 1 3.844 0.100 . 1 . . . . 726 THR HA . 16611 1 1246 . 2 2 6 6 THR HB H 1 4.288 0.100 . 1 . . . . 726 THR HB . 16611 1 1247 . 2 2 6 6 THR HG21 H 1 1.270 0.008 . 1 . . . . 726 THR HG21 . 16611 1 1248 . 2 2 6 6 THR HG22 H 1 1.270 0.008 . 1 . . . . 726 THR HG22 . 16611 1 1249 . 2 2 6 6 THR HG23 H 1 1.270 0.008 . 1 . . . . 726 THR HG23 . 16611 1 1250 . 2 2 6 6 THR C C 13 174.389 0.100 . 1 . . . . 726 THR C . 16611 1 1251 . 2 2 6 6 THR CA C 13 61.351 0.100 . 1 . . . . 726 THR CA . 16611 1 1252 . 2 2 6 6 THR CB C 13 69.580 0.100 . 1 . . . . 726 THR CB . 16611 1 1253 . 2 2 6 6 THR CG2 C 13 21.848 0.100 . 1 . . . . 726 THR CG2 . 16611 1 1254 . 2 2 6 6 THR N N 15 113.883 0.025 . 1 . . . . 726 THR N . 16611 1 1255 . 2 2 7 7 GLN H H 1 8.488 0.003 . 1 . . . . 727 GLN H . 16611 1 1256 . 2 2 7 7 GLN HA H 1 4.442 0.018 . 1 . . . . 727 GLN HA . 16611 1 1257 . 2 2 7 7 GLN HB2 H 1 2.053 0.009 . 2 . . . . 727 GLN HB2 . 16611 1 1258 . 2 2 7 7 GLN HB3 H 1 2.060 0.014 . 2 . . . . 727 GLN HB3 . 16611 1 1259 . 2 2 7 7 GLN HE21 H 1 7.669 0.002 . 1 . . . . 727 GLN HE21 . 16611 1 1260 . 2 2 7 7 GLN HE22 H 1 6.941 0.002 . 1 . . . . 727 GLN HE22 . 16611 1 1261 . 2 2 7 7 GLN HG2 H 1 2.407 0.017 . 2 . . . . 727 GLN HG2 . 16611 1 1262 . 2 2 7 7 GLN HG3 H 1 2.408 0.017 . 2 . . . . 727 GLN HG3 . 16611 1 1263 . 2 2 7 7 GLN C C 13 175.548 0.100 . 1 . . . . 727 GLN C . 16611 1 1264 . 2 2 7 7 GLN CA C 13 55.913 0.142 . 1 . . . . 727 GLN CA . 16611 1 1265 . 2 2 7 7 GLN CB C 13 29.572 0.038 . 1 . . . . 727 GLN CB . 16611 1 1266 . 2 2 7 7 GLN CG C 13 33.633 0.051 . 1 . . . . 727 GLN CG . 16611 1 1267 . 2 2 7 7 GLN N N 15 122.890 0.090 . 1 . . . . 727 GLN N . 16611 1 1268 . 2 2 7 7 GLN NE2 N 15 112.860 0.016 . 1 . . . . 727 GLN NE2 . 16611 1 1269 . 2 2 8 8 CYS H H 1 8.489 0.006 . 1 . . . . 728 CYS H . 16611 1 1270 . 2 2 8 8 CYS HA H 1 4.555 0.002 . 1 . . . . 728 CYS HA . 16611 1 1271 . 2 2 8 8 CYS HB2 H 1 2.904 0.009 . 2 . . . . 728 CYS HB2 . 16611 1 1272 . 2 2 8 8 CYS HB3 H 1 2.910 0.012 . 2 . . . . 728 CYS HB3 . 16611 1 1273 . 2 2 8 8 CYS C C 13 173.900 0.100 . 1 . . . . 728 CYS C . 16611 1 1274 . 2 2 8 8 CYS CA C 13 58.078 0.145 . 1 . . . . 728 CYS CA . 16611 1 1275 . 2 2 8 8 CYS CB C 13 28.591 0.025 . 1 . . . . 728 CYS CB . 16611 1 1276 . 2 2 8 8 CYS N N 15 121.124 0.134 . 1 . . . . 728 CYS N . 16611 1 1277 . 2 2 9 9 ASP H H 1 8.644 0.003 . 1 . . . . 729 ASP H . 16611 1 1278 . 2 2 9 9 ASP HA H 1 4.917 0.010 . 1 . . . . 729 ASP HA . 16611 1 1279 . 2 2 9 9 ASP HB2 H 1 2.793 0.009 . 2 . . . . 729 ASP HB2 . 16611 1 1280 . 2 2 9 9 ASP HB3 H 1 2.567 0.014 . 2 . . . . 729 ASP HB3 . 16611 1 1281 . 2 2 9 9 ASP CA C 13 52.697 0.100 . 1 . . . . 729 ASP CA . 16611 1 1282 . 2 2 9 9 ASP CB C 13 40.781 0.132 . 1 . . . . 729 ASP CB . 16611 1 1283 . 2 2 9 9 ASP N N 15 124.829 0.027 . 1 . . . . 729 ASP N . 16611 1 1284 . 2 2 10 10 PRO HA H 1 4.429 0.010 . 1 . . . . 730 PRO HA . 16611 1 1285 . 2 2 10 10 PRO HB2 H 1 2.281 0.021 . 2 . . . . 730 PRO HB2 . 16611 1 1286 . 2 2 10 10 PRO HB3 H 1 2.288 0.011 . 2 . . . . 730 PRO HB3 . 16611 1 1287 . 2 2 10 10 PRO HD2 H 1 3.788 0.013 . 2 . . . . 730 PRO HD2 . 16611 1 1288 . 2 2 10 10 PRO HD3 H 1 3.900 0.006 . 2 . . . . 730 PRO HD3 . 16611 1 1289 . 2 2 10 10 PRO HG2 H 1 2.021 0.010 . 2 . . . . 730 PRO HG2 . 16611 1 1290 . 2 2 10 10 PRO HG3 H 1 2.010 0.014 . 2 . . . . 730 PRO HG3 . 16611 1 1291 . 2 2 10 10 PRO C C 13 176.987 0.100 . 1 . . . . 730 PRO C . 16611 1 1292 . 2 2 10 10 PRO CA C 13 63.497 0.050 . 1 . . . . 730 PRO CA . 16611 1 1293 . 2 2 10 10 PRO CB C 13 32.107 0.100 . 1 . . . . 730 PRO CB . 16611 1 1294 . 2 2 10 10 PRO CD C 13 50.743 0.143 . 1 . . . . 730 PRO CD . 16611 1 1295 . 2 2 10 10 PRO CG C 13 27.372 0.027 . 1 . . . . 730 PRO CG . 16611 1 1296 . 2 2 11 11 GLU H H 1 8.554 0.014 . 1 . . . . 731 GLU H . 16611 1 1297 . 2 2 11 11 GLU HA H 1 4.220 0.007 . 1 . . . . 731 GLU HA . 16611 1 1298 . 2 2 11 11 GLU HB2 H 1 1.931 0.024 . 2 . . . . 731 GLU HB2 . 16611 1 1299 . 2 2 11 11 GLU HB3 H 1 1.933 0.027 . 2 . . . . 731 GLU HB3 . 16611 1 1300 . 2 2 11 11 GLU HG2 H 1 2.213 0.016 . 2 . . . . 731 GLU HG2 . 16611 1 1301 . 2 2 11 11 GLU HG3 H 1 2.232 0.023 . 2 . . . . 731 GLU HG3 . 16611 1 1302 . 2 2 11 11 GLU C C 13 176.156 0.100 . 1 . . . . 731 GLU C . 16611 1 1303 . 2 2 11 11 GLU CA C 13 56.601 0.046 . 1 . . . . 731 GLU CA . 16611 1 1304 . 2 2 11 11 GLU CB C 13 30.253 0.097 . 1 . . . . 731 GLU CB . 16611 1 1305 . 2 2 11 11 GLU CG C 13 36.312 0.209 . 1 . . . . 731 GLU CG . 16611 1 1306 . 2 2 11 11 GLU N N 15 120.402 0.005 . 1 . . . . 731 GLU N . 16611 1 1307 . 2 2 12 12 GLU H H 1 8.310 0.013 . 1 . . . . 732 GLU H . 16611 1 1308 . 2 2 12 12 GLU HA H 1 4.251 0.100 . 1 . . . . 732 GLU HA . 16611 1 1309 . 2 2 12 12 GLU HB2 H 1 2.019 0.009 . 1 . . . . 732 GLU HB2 . 16611 1 1310 . 2 2 12 12 GLU HB3 H 1 2.019 0.009 . 1 . . . . 732 GLU HB3 . 16611 1 1311 . 2 2 12 12 GLU HG2 H 1 2.109 0.008 . 1 . . . . 732 GLU HG2 . 16611 1 1312 . 2 2 12 12 GLU HG3 H 1 2.109 0.008 . 1 . . . . 732 GLU HG3 . 16611 1 1313 . 2 2 12 12 GLU C C 13 177.326 0.100 . 1 . . . . 732 GLU C . 16611 1 1314 . 2 2 12 12 GLU CA C 13 56.797 0.100 . 1 . . . . 732 GLU CA . 16611 1 1315 . 2 2 12 12 GLU CB C 13 30.187 0.122 . 1 . . . . 732 GLU CB . 16611 1 1316 . 2 2 12 12 GLU CG C 13 36.019 0.065 . 1 . . . . 732 GLU CG . 16611 1 1317 . 2 2 12 12 GLU N N 15 122.835 0.079 . 1 . . . . 732 GLU N . 16611 1 1318 . 2 2 13 13 ILE HA H 1 4.242 0.013 . 1 . . . . 733 ILE HA . 16611 1 1319 . 2 2 13 13 ILE HB H 1 1.903 0.034 . 1 . . . . 733 ILE HB . 16611 1 1320 . 2 2 13 13 ILE HD11 H 1 0.803 0.015 . 1 . . . . 733 ILE HD11 . 16611 1 1321 . 2 2 13 13 ILE HD12 H 1 0.803 0.015 . 1 . . . . 733 ILE HD12 . 16611 1 1322 . 2 2 13 13 ILE HD13 H 1 0.803 0.015 . 1 . . . . 733 ILE HD13 . 16611 1 1323 . 2 2 13 13 ILE HG12 H 1 1.487 0.022 . 2 . . . . 733 ILE HG12 . 16611 1 1324 . 2 2 13 13 ILE HG13 H 1 1.478 0.029 . 2 . . . . 733 ILE HG13 . 16611 1 1325 . 2 2 13 13 ILE HG21 H 1 0.917 0.023 . 1 . . . . 733 ILE HG21 . 16611 1 1326 . 2 2 13 13 ILE HG22 H 1 0.917 0.023 . 1 . . . . 733 ILE HG22 . 16611 1 1327 . 2 2 13 13 ILE HG23 H 1 0.917 0.023 . 1 . . . . 733 ILE HG23 . 16611 1 1328 . 2 2 13 13 ILE CA C 13 61.309 0.073 . 1 . . . . 733 ILE CA . 16611 1 1329 . 2 2 13 13 ILE CB C 13 39.059 0.100 . 1 . . . . 733 ILE CB . 16611 1 1330 . 2 2 13 13 ILE CD1 C 13 13.859 0.058 . 1 . . . . 733 ILE CD1 . 16611 1 1331 . 2 2 13 13 ILE CG1 C 13 28.308 0.145 . 1 . . . . 733 ILE CG1 . 16611 1 1332 . 2 2 13 13 ILE CG2 C 13 17.635 0.146 . 1 . . . . 733 ILE CG2 . 16611 1 1333 . 2 2 14 14 ILE H H 1 8.215 0.012 . 1 . . . . 734 ILE H . 16611 1 1334 . 2 2 14 14 ILE HA H 1 4.142 0.013 . 1 . . . . 734 ILE HA . 16611 1 1335 . 2 2 14 14 ILE HB H 1 1.719 0.017 . 1 . . . . 734 ILE HB . 16611 1 1336 . 2 2 14 14 ILE HD11 H 1 0.640 0.024 . 1 . . . . 734 ILE HD11 . 16611 1 1337 . 2 2 14 14 ILE HD12 H 1 0.640 0.024 . 1 . . . . 734 ILE HD12 . 16611 1 1338 . 2 2 14 14 ILE HD13 H 1 0.640 0.024 . 1 . . . . 734 ILE HD13 . 16611 1 1339 . 2 2 14 14 ILE HG12 H 1 1.237 0.013 . 2 . . . . 734 ILE HG12 . 16611 1 1340 . 2 2 14 14 ILE HG13 H 1 1.279 0.013 . 2 . . . . 734 ILE HG13 . 16611 1 1341 . 2 2 14 14 ILE HG21 H 1 0.767 0.005 . 1 . . . . 734 ILE HG21 . 16611 1 1342 . 2 2 14 14 ILE HG22 H 1 0.767 0.005 . 1 . . . . 734 ILE HG22 . 16611 1 1343 . 2 2 14 14 ILE HG23 H 1 0.767 0.005 . 1 . . . . 734 ILE HG23 . 16611 1 1344 . 2 2 14 14 ILE CA C 13 61.036 0.100 . 1 . . . . 734 ILE CA . 16611 1 1345 . 2 2 14 14 ILE CB C 13 39.554 0.100 . 1 . . . . 734 ILE CB . 16611 1 1346 . 2 2 14 14 ILE CD1 C 13 12.981 0.056 . 1 . . . . 734 ILE CD1 . 16611 1 1347 . 2 2 14 14 ILE CG1 C 13 27.506 0.146 . 1 . . . . 734 ILE CG1 . 16611 1 1348 . 2 2 14 14 ILE CG2 C 13 17.670 0.161 . 1 . . . . 734 ILE CG2 . 16611 1 1349 . 2 2 14 14 ILE N N 15 129.561 0.100 . 1 . . . . 734 ILE N . 16611 1 1350 . 2 2 15 15 VAL H H 1 8.820 0.010 . 1 . . . . 735 VAL H . 16611 1 1351 . 2 2 15 15 VAL HA H 1 4.886 0.024 . 1 . . . . 735 VAL HA . 16611 1 1352 . 2 2 15 15 VAL HB H 1 2.083 0.007 . 1 . . . . 735 VAL HB . 16611 1 1353 . 2 2 15 15 VAL HG11 H 1 0.929 0.008 . 2 . . . . 735 VAL HG11 . 16611 1 1354 . 2 2 15 15 VAL HG12 H 1 0.929 0.008 . 2 . . . . 735 VAL HG12 . 16611 1 1355 . 2 2 15 15 VAL HG13 H 1 0.929 0.008 . 2 . . . . 735 VAL HG13 . 16611 1 1356 . 2 2 15 15 VAL HG21 H 1 0.817 0.004 . 2 . . . . 735 VAL HG21 . 16611 1 1357 . 2 2 15 15 VAL HG22 H 1 0.817 0.004 . 2 . . . . 735 VAL HG22 . 16611 1 1358 . 2 2 15 15 VAL HG23 H 1 0.817 0.004 . 2 . . . . 735 VAL HG23 . 16611 1 1359 . 2 2 15 15 VAL C C 13 175.952 0.100 . 1 . . . . 735 VAL C . 16611 1 1360 . 2 2 15 15 VAL CA C 13 62.928 0.100 . 1 . . . . 735 VAL CA . 16611 1 1361 . 2 2 15 15 VAL CB C 13 32.132 0.018 . 1 . . . . 735 VAL CB . 16611 1 1362 . 2 2 15 15 VAL CG1 C 13 21.361 0.162 . 2 . . . . 735 VAL CG1 . 16611 1 1363 . 2 2 15 15 VAL CG2 C 13 21.226 0.105 . 2 . . . . 735 VAL CG2 . 16611 1 1364 . 2 2 15 15 VAL N N 15 129.106 0.100 . 1 . . . . 735 VAL N . 16611 1 1365 . 2 2 16 16 LEU H H 1 8.815 0.015 . 1 . . . . 736 LEU H . 16611 1 1366 . 2 2 16 16 LEU HB2 H 1 1.558 0.016 . 2 . . . . 736 LEU HB2 . 16611 1 1367 . 2 2 16 16 LEU HB3 H 1 1.554 0.013 . 2 . . . . 736 LEU HB3 . 16611 1 1368 . 2 2 16 16 LEU HD11 H 1 0.859 0.011 . 2 . . . . 736 LEU HD11 . 16611 1 1369 . 2 2 16 16 LEU HD12 H 1 0.859 0.011 . 2 . . . . 736 LEU HD12 . 16611 1 1370 . 2 2 16 16 LEU HD13 H 1 0.859 0.011 . 2 . . . . 736 LEU HD13 . 16611 1 1371 . 2 2 16 16 LEU HD21 H 1 0.985 0.031 . 2 . . . . 736 LEU HD21 . 16611 1 1372 . 2 2 16 16 LEU HD22 H 1 0.985 0.031 . 2 . . . . 736 LEU HD22 . 16611 1 1373 . 2 2 16 16 LEU HD23 H 1 0.985 0.031 . 2 . . . . 736 LEU HD23 . 16611 1 1374 . 2 2 16 16 LEU HG H 1 1.917 0.027 . 1 . . . . 736 LEU HG . 16611 1 1375 . 2 2 16 16 LEU CB C 13 42.448 0.262 . 1 . . . . 736 LEU CB . 16611 1 1376 . 2 2 16 16 LEU CD1 C 13 25.758 0.093 . 2 . . . . 736 LEU CD1 . 16611 1 1377 . 2 2 16 16 LEU CD2 C 13 23.450 0.218 . 2 . . . . 736 LEU CD2 . 16611 1 1378 . 2 2 16 16 LEU CG C 13 27.093 0.100 . 1 . . . . 736 LEU CG . 16611 1 1379 . 2 2 16 16 LEU N N 15 129.123 0.025 . 1 . . . . 736 LEU N . 16611 1 1380 . 2 2 17 17 SER H H 1 8.585 0.015 . 1 . . . . 737 SER H . 16611 1 1381 . 2 2 17 17 SER HA H 1 4.647 0.006 . 1 . . . . 737 SER HA . 16611 1 1382 . 2 2 17 17 SER HB2 H 1 4.043 0.001 . 1 . . . . 737 SER HB2 . 16611 1 1383 . 2 2 17 17 SER HB3 H 1 4.043 0.001 . 1 . . . . 737 SER HB3 . 16611 1 1384 . 2 2 17 17 SER C C 13 174.228 0.100 . 1 . . . . 737 SER C . 16611 1 1385 . 2 2 17 17 SER CA C 13 57.750 0.098 . 1 . . . . 737 SER CA . 16611 1 1386 . 2 2 17 17 SER CB C 13 64.504 0.042 . 1 . . . . 737 SER CB . 16611 1 1387 . 2 2 17 17 SER N N 15 117.538 0.100 . 1 . . . . 737 SER N . 16611 1 1388 . 2 2 18 18 ASP H H 1 8.552 0.004 . 1 . . . . 738 ASP H . 16611 1 1389 . 2 2 18 18 ASP HA H 1 4.750 0.005 . 1 . . . . 738 ASP HA . 16611 1 1390 . 2 2 18 18 ASP HB2 H 1 2.741 0.013 . 2 . . . . 738 ASP HB2 . 16611 1 1391 . 2 2 18 18 ASP HB3 H 1 2.739 0.012 . 2 . . . . 738 ASP HB3 . 16611 1 1392 . 2 2 18 18 ASP C C 13 176.139 0.100 . 1 . . . . 738 ASP C . 16611 1 1393 . 2 2 18 18 ASP CA C 13 54.566 0.019 . 1 . . . . 738 ASP CA . 16611 1 1394 . 2 2 18 18 ASP CB C 13 41.745 0.100 . 1 . . . . 738 ASP CB . 16611 1 1395 . 2 2 18 18 ASP N N 15 122.099 0.017 . 1 . . . . 738 ASP N . 16611 1 1396 . 2 2 19 19 SER H H 1 8.313 0.005 . 1 . . . . 739 SER H . 16611 1 1397 . 2 2 19 19 SER HA H 1 4.537 0.004 . 1 . . . . 739 SER HA . 16611 1 1398 . 2 2 19 19 SER HB2 H 1 3.933 0.012 . 2 . . . . 739 SER HB2 . 16611 1 1399 . 2 2 19 19 SER HB3 H 1 3.928 0.012 . 2 . . . . 739 SER HB3 . 16611 1 1400 . 2 2 19 19 SER C C 13 173.495 0.100 . 1 . . . . 739 SER C . 16611 1 1401 . 2 2 19 19 SER CA C 13 58.284 0.095 . 1 . . . . 739 SER CA . 16611 1 1402 . 2 2 19 19 SER CB C 13 64.389 0.067 . 1 . . . . 739 SER CB . 16611 1 1403 . 2 2 19 19 SER N N 15 115.658 0.075 . 1 . . . . 739 SER N . 16611 1 1404 . 2 2 20 20 ASP H H 1 8.152 0.004 . 1 . . . . 740 ASP H . 16611 1 1405 . 2 2 20 20 ASP HA H 1 4.460 0.002 . 1 . . . . 740 ASP HA . 16611 1 1406 . 2 2 20 20 ASP HB2 H 1 2.763 0.016 . 2 . . . . 740 ASP HB2 . 16611 1 1407 . 2 2 20 20 ASP HB3 H 1 2.611 0.002 . 2 . . . . 740 ASP HB3 . 16611 1 1408 . 2 2 20 20 ASP CA C 13 56.246 0.063 . 1 . . . . 740 ASP CA . 16611 1 1409 . 2 2 20 20 ASP CB C 13 42.188 0.100 . 1 . . . . 740 ASP CB . 16611 1 1410 . 2 2 20 20 ASP N N 15 127.860 0.098 . 1 . . . . 740 ASP N . 16611 1 stop_ save_