data_25299 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25299 _Entry.Title ; Backbone fold of Human Small Ubiquitin like Modifier protein-1 (SUMO-1) based on Prot3D-NMR approach. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-10-28 _Entry.Accession_date 2014-10-28 _Entry.Last_release_date 2014-12-01 _Entry.Original_release_date 2014-12-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Dinesh Kumar . . . 25299 2 Nancy jaiswal . . . 25299 3 Nisha raikwal . . . 25299 4 Vaibhav Shukla . . . 25299 5 Ashish Arora . . . 25299 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25299 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Prot3D-NMR . 25299 'human SUMO' . 25299 'Small Ubiquitin like Modifier' . 25299 SUMO-1 . 25299 'Protein NMR' . 25299 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25299 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 440 25299 '13C chemical shifts' 383 25299 '15N chemical shifts' 94 25299 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-12-01 2014-10-28 original author . 25299 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1A5R . 25299 PDB 2ASQ . 25299 PDB 2MW5 'BMRB Entry Tracking System' 25299 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25299 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Prot3DNMR: A simple and swift NMR strategy for Three-Dimentional structutral determination of proteins.' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . 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 Dinesh Kumar . . . 25299 1 2 Nancy jaiswal . . . 25299 1 3 Nisha raikwal . . . 25299 1 4 Vaibhav Shukla . Kumar . 25299 1 5 Ashish Arora . . . 25299 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25299 _Assembly.ID 1 _Assembly.Name 'Human Small Ubiquitin like Modifier protein-1 (SUMO-1)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 entity 1 $entity A . yes native no no . . . 25299 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25299 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 . _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 16611 . SUMO1 . . . . . 100.00 97 100.00 100.00 1.59e-63 . . . . 25299 1 2 no BMRB 17536 . SUMO1 . . . . . 100.00 97 100.00 100.00 1.59e-63 . . . . 25299 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 . . . . 25299 1 4 no PDB 1TGZ . "Structure Of Human Senp2 In Complex With Sumo-1" . . . . . 82.47 80 100.00 100.00 1.67e-50 . . . . 25299 1 5 no PDB 1WYW . "Crystal Structure Of Sumo1-Conjugated Thymine Dna Glycosylase" . . . . . 100.00 97 100.00 100.00 1.59e-63 . . . . 25299 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 . . . . 25299 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 . . . . 25299 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 . . . . 25299 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 . . . . 25299 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 . . . . 25299 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 . . . . 25299 1 12 no PDB 2IY0 . "Senp1 (Mutant) Sumo1 Rangap" . . . . . 80.41 82 100.00 100.00 3.53e-49 . . . . 25299 1 13 no PDB 2IY1 . "Senp1 (Mutant) Full Length Sumo1" . . . . . 80.41 83 100.00 100.00 4.52e-49 . . . . 25299 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 . . . . 25299 1 15 no PDB 2LAS . "Molecular Determinants Of Paralogue-Specific Sumo-Sim Recognition" . . . . . 80.41 78 100.00 100.00 4.19e-49 . . . . 25299 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 . . . . 25299 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 . . . . 25299 1 18 no PDB 2UYZ . "Non-Covalent Complex Between Ubc9 And Sumo1" . . . . . 80.41 79 100.00 100.00 3.82e-49 . . . . 25299 1 19 no PDB 2VRR . "Structure Of Sumo Modified Ubc9" . . . . . 80.41 79 100.00 100.00 3.82e-49 . . . . 25299 1 20 no PDB 3KYC . "Human Sumo E1 Complex With A Sumo1-Amp Mimic" . . . . . 100.00 97 98.97 98.97 1.72e-62 . . . . 25299 1 21 no PDB 3KYD . "Human Sumo E1~sumo1-amp Tetrahedral Intermediate Mimic" . . . . . 98.97 115 98.96 98.96 1.18e-61 . . . . 25299 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 . . . . 25299 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 . . . . 25299 1 24 no PDB 4WJN . "Crystal Structure Of Sumo1 In Complex With Phosphorylated Pml" . . . . . 83.51 83 98.77 98.77 4.90e-50 . . . . 25299 1 25 no PDB 4WJO . "Crystal Structure Of Sumo1 In Complex With Pml" . . . . . 83.51 83 98.77 98.77 4.90e-50 . . . . 25299 1 26 no PDB 4WJP . "Crystal Structure Of Sumo1 In Complex With Phosphorylated Daxx" . . . . . 83.51 83 98.77 98.77 4.90e-50 . . . . 25299 1 27 no PDB 4WJQ . "Crystal Structure Of Sumo1 In Complex With Daxx" . . . . . 83.51 83 98.77 98.77 4.90e-50 . . . . 25299 1 28 no DBJ BAB22172 . "unnamed protein product [Mus musculus]" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 25299 1 29 no DBJ BAB27379 . "unnamed protein product [Mus musculus]" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 25299 1 30 no DBJ BAB93477 . "ubiquitin-homology domain protein PIC1 [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 25299 1 31 no DBJ BAC40739 . "unnamed protein product [Mus musculus]" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 25299 1 32 no DBJ BAE35024 . "unnamed protein product [Mus musculus]" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 25299 1 33 no EMBL CAA67898 . "SMT3C protein [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 25299 1 34 no EMBL CAG31129 . "hypothetical protein RCJMB04_2j18 [Gallus gallus]" . . . . . 100.00 101 97.94 97.94 3.34e-62 . . . . 25299 1 35 no EMBL CAG46944 . "UBL1 [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 25299 1 36 no EMBL CAG46953 . "UBL1 [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 25299 1 37 no EMBL CAH92616 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 25299 1 38 no GB AAB39999 . "sentrin [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 25299 1 39 no GB AAB40388 . "ubiquitin-homology domain protein PIC1 [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 25299 1 40 no GB AAB40390 . "gap modifying protein 1 [Homo sapiens]" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 25299 1 41 no GB AAC39959 . "ubiquitin-homology domain protein [Mus musculus]" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 25299 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 . . . . 25299 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 . . . . 25299 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 . . . . 25299 1 45 no REF NP_001009672 . "small ubiquitin-related modifier 1 precursor [Rattus norvegicus]" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 25299 1 46 no REF NP_001030535 . "small ubiquitin-related modifier 1 precursor [Bos taurus]" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 25299 1 47 no REF NP_001106146 . "small ubiquitin-related modifier 1 precursor [Sus scrofa]" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 25299 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 . . . . 25299 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 . . . . 25299 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 . . . . 25299 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 . . . . 25299 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 . . . . 25299 1 53 no TPG DAA32560 . "TPA: small ubiquitin-related modifier 1 precursor [Bos taurus]" . . . . . 100.00 101 100.00 100.00 1.33e-63 . . . . 25299 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 4 MET . 25299 1 2 5 SER . 25299 1 3 6 ASP . 25299 1 4 7 GLN . 25299 1 5 8 GLU . 25299 1 6 9 ALA . 25299 1 7 10 LYS . 25299 1 8 11 PRO . 25299 1 9 12 SER . 25299 1 10 13 THR . 25299 1 11 14 GLU . 25299 1 12 15 ASP . 25299 1 13 16 LEU . 25299 1 14 17 GLY . 25299 1 15 18 ASP . 25299 1 16 19 LYS . 25299 1 17 20 LYS . 25299 1 18 21 GLU . 25299 1 19 22 GLY . 25299 1 20 23 GLU . 25299 1 21 24 TYR . 25299 1 22 25 ILE . 25299 1 23 26 LYS . 25299 1 24 27 LEU . 25299 1 25 28 LYS . 25299 1 26 29 VAL . 25299 1 27 30 ILE . 25299 1 28 31 GLY . 25299 1 29 32 GLN . 25299 1 30 33 ASP . 25299 1 31 34 SER . 25299 1 32 35 SER . 25299 1 33 36 GLU . 25299 1 34 37 ILE . 25299 1 35 38 HIS . 25299 1 36 39 PHE . 25299 1 37 40 LYS . 25299 1 38 41 VAL . 25299 1 39 42 LYS . 25299 1 40 43 MET . 25299 1 41 44 THR . 25299 1 42 45 THR . 25299 1 43 46 HIS . 25299 1 44 47 LEU . 25299 1 45 48 LYS . 25299 1 46 49 LYS . 25299 1 47 50 LEU . 25299 1 48 51 LYS . 25299 1 49 52 GLU . 25299 1 50 53 SER . 25299 1 51 54 TYR . 25299 1 52 55 CYS . 25299 1 53 56 GLN . 25299 1 54 57 ARG . 25299 1 55 58 GLN . 25299 1 56 59 GLY . 25299 1 57 60 VAL . 25299 1 58 61 PRO . 25299 1 59 62 MET . 25299 1 60 63 ASN . 25299 1 61 64 SER . 25299 1 62 65 LEU . 25299 1 63 66 ARG . 25299 1 64 67 PHE . 25299 1 65 68 LEU . 25299 1 66 69 PHE . 25299 1 67 70 GLU . 25299 1 68 71 GLY . 25299 1 69 72 GLN . 25299 1 70 73 ARG . 25299 1 71 74 ILE . 25299 1 72 75 ALA . 25299 1 73 76 ASP . 25299 1 74 77 ASN . 25299 1 75 78 HIS . 25299 1 76 79 THR . 25299 1 77 80 PRO . 25299 1 78 81 LYS . 25299 1 79 82 GLU . 25299 1 80 83 LEU . 25299 1 81 84 GLY . 25299 1 82 85 MET . 25299 1 83 86 GLU . 25299 1 84 87 GLU . 25299 1 85 88 GLU . 25299 1 86 89 ASP . 25299 1 87 90 VAL . 25299 1 88 91 ILE . 25299 1 89 92 GLU . 25299 1 90 93 VAL . 25299 1 91 94 TYR . 25299 1 92 95 GLN . 25299 1 93 96 GLU . 25299 1 94 97 GLN . 25299 1 95 98 THR . 25299 1 96 99 GLY . 25299 1 97 100 GLY . 25299 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 25299 1 . SER 2 2 25299 1 . ASP 3 3 25299 1 . GLN 4 4 25299 1 . GLU 5 5 25299 1 . ALA 6 6 25299 1 . LYS 7 7 25299 1 . PRO 8 8 25299 1 . SER 9 9 25299 1 . THR 10 10 25299 1 . GLU 11 11 25299 1 . ASP 12 12 25299 1 . LEU 13 13 25299 1 . GLY 14 14 25299 1 . ASP 15 15 25299 1 . LYS 16 16 25299 1 . LYS 17 17 25299 1 . GLU 18 18 25299 1 . GLY 19 19 25299 1 . GLU 20 20 25299 1 . TYR 21 21 25299 1 . ILE 22 22 25299 1 . LYS 23 23 25299 1 . LEU 24 24 25299 1 . LYS 25 25 25299 1 . VAL 26 26 25299 1 . ILE 27 27 25299 1 . GLY 28 28 25299 1 . GLN 29 29 25299 1 . ASP 30 30 25299 1 . SER 31 31 25299 1 . SER 32 32 25299 1 . GLU 33 33 25299 1 . ILE 34 34 25299 1 . HIS 35 35 25299 1 . PHE 36 36 25299 1 . LYS 37 37 25299 1 . VAL 38 38 25299 1 . LYS 39 39 25299 1 . MET 40 40 25299 1 . THR 41 41 25299 1 . THR 42 42 25299 1 . HIS 43 43 25299 1 . LEU 44 44 25299 1 . LYS 45 45 25299 1 . LYS 46 46 25299 1 . LEU 47 47 25299 1 . LYS 48 48 25299 1 . GLU 49 49 25299 1 . SER 50 50 25299 1 . TYR 51 51 25299 1 . CYS 52 52 25299 1 . GLN 53 53 25299 1 . ARG 54 54 25299 1 . GLN 55 55 25299 1 . GLY 56 56 25299 1 . VAL 57 57 25299 1 . PRO 58 58 25299 1 . MET 59 59 25299 1 . ASN 60 60 25299 1 . SER 61 61 25299 1 . LEU 62 62 25299 1 . ARG 63 63 25299 1 . PHE 64 64 25299 1 . LEU 65 65 25299 1 . PHE 66 66 25299 1 . GLU 67 67 25299 1 . GLY 68 68 25299 1 . GLN 69 69 25299 1 . ARG 70 70 25299 1 . ILE 71 71 25299 1 . ALA 72 72 25299 1 . ASP 73 73 25299 1 . ASN 74 74 25299 1 . HIS 75 75 25299 1 . THR 76 76 25299 1 . PRO 77 77 25299 1 . LYS 78 78 25299 1 . GLU 79 79 25299 1 . LEU 80 80 25299 1 . GLY 81 81 25299 1 . MET 82 82 25299 1 . GLU 83 83 25299 1 . GLU 84 84 25299 1 . GLU 85 85 25299 1 . ASP 86 86 25299 1 . VAL 87 87 25299 1 . ILE 88 88 25299 1 . GLU 89 89 25299 1 . VAL 90 90 25299 1 . TYR 91 91 25299 1 . GLN 92 92 25299 1 . GLU 93 93 25299 1 . GLN 94 94 25299 1 . THR 95 95 25299 1 . GLY 96 96 25299 1 . GLY 97 97 25299 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25299 _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 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 25299 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 25299 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 Lambda DE3' . . . . . . . . . . . . . . . pQE80L . . . . . . 25299 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25299 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1mM 13C-15N labelled protein Sample' _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 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.9 0.8 1 mM 0.1 . . . 25299 1 2 'sodium phosphate' 'natural abundance' . . . . . . 200 . . mM . . . . 25299 1 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 25299 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; pH 6.5 298K 200mM Salt ; 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 temperature 298 . K 25299 1 pH 6.5 . pH 25299 1 pressure 1 . atm 25299 1 'ionic strength' 200 . mM 25299 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25299 _Software.ID 1 _Software.Name CARA _Software.Version 9.8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25299 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25299 1 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 25299 _NMR_spectrometer.ID 1 _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 25299 _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 . 800 . . . 25299 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 25299 _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 . . . . . . . . . . . . . . . . 25299 1 2 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25299 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25299 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25299 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25299 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25299 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25299 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 25299 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25299 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25299 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25299 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25299 _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 . _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' . . . 25299 1 2 '3D 1H-15N TOCSY' . . . 25299 1 3 '3D HNCO' . . . 25299 1 4 '3D HNCA' . . . 25299 1 5 '3D H(CCO)NH' . . . 25299 1 6 '3D 1H-13C NOESY' . . . 25299 1 7 '3D 1H-15N NOESY' . . . 25299 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 1 $CARA . . 25299 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 H H 1 8.568 0.020 . 1 . . . . 4 MET H . 25299 1 2 . 1 1 1 1 MET HA H 1 4.522 0.020 . 1 . . . . 4 MET HA . 25299 1 3 . 1 1 1 1 MET HB2 H 1 2.042 0.020 . 1 . . . . 4 MET HB2 . 25299 1 4 . 1 1 1 1 MET HB3 H 1 2.042 0.020 . 1 . . . . 4 MET HB3 . 25299 1 5 . 1 1 1 1 MET HG2 H 1 2.593 0.020 . 1 . . . . 4 MET HG2 . 25299 1 6 . 1 1 1 1 MET HG3 H 1 2.593 0.020 . 1 . . . . 4 MET HG3 . 25299 1 7 . 1 1 1 1 MET C C 13 176.129 0.3 . 1 . . . . 4 MET C . 25299 1 8 . 1 1 1 1 MET CA C 13 55.701 0.3 . 1 . . . . 4 MET CA . 25299 1 9 . 1 1 1 1 MET CB C 13 32.645 0.3 . 1 . . . . 4 MET CB . 25299 1 10 . 1 1 1 1 MET N N 15 122.314 0.3 . 1 . . . . 4 MET N . 25299 1 11 . 1 1 2 2 SER H H 1 8.339 0.020 . 1 . . . . 5 SER H . 25299 1 12 . 1 1 2 2 SER HA H 1 4.435 0.020 . 1 . . . . 5 SER HA . 25299 1 13 . 1 1 2 2 SER HB2 H 1 3.884 0.020 . 1 . . . . 5 SER HB2 . 25299 1 14 . 1 1 2 2 SER HB3 H 1 3.884 0.020 . 1 . . . . 5 SER HB3 . 25299 1 15 . 1 1 2 2 SER C C 13 175.527 0.3 . 1 . . . . 5 SER C . 25299 1 16 . 1 1 2 2 SER CA C 13 58.538 0.3 . 1 . . . . 5 SER CA . 25299 1 17 . 1 1 2 2 SER CB C 13 63.767 0.3 . 1 . . . . 5 SER CB . 25299 1 18 . 1 1 2 2 SER N N 15 116.253 0.3 . 1 . . . . 5 SER N . 25299 1 19 . 1 1 3 3 ASP H H 1 8.374 0.020 . 1 . . . . 6 ASP H . 25299 1 20 . 1 1 3 3 ASP HA H 1 4.609 0.020 . 1 . . . . 6 ASP HA . 25299 1 21 . 1 1 3 3 ASP HB2 H 1 2.724 0.020 . 1 . . . . 6 ASP HB2 . 25299 1 22 . 1 1 3 3 ASP HB3 H 1 2.724 0.020 . 1 . . . . 6 ASP HB3 . 25299 1 23 . 1 1 3 3 ASP C C 13 175.984 0.3 . 1 . . . . 6 ASP C . 25299 1 24 . 1 1 3 3 ASP CA C 13 54.709 0.3 . 1 . . . . 6 ASP CA . 25299 1 25 . 1 1 3 3 ASP CB C 13 40.938 0.3 . 1 . . . . 6 ASP CB . 25299 1 26 . 1 1 3 3 ASP N N 15 122.167 0.3 . 1 . . . . 6 ASP N . 25299 1 27 . 1 1 4 4 GLN H H 1 8.246 0.020 . 1 . . . . 7 GLN H . 25299 1 28 . 1 1 4 4 GLN HA H 1 4.333 0.020 . 1 . . . . 7 GLN HA . 25299 1 29 . 1 1 4 4 GLN HB2 H 1 1.970 0.020 . 1 . . . . 7 GLN HB2 . 25299 1 30 . 1 1 4 4 GLN HB3 H 1 1.970 0.020 . 1 . . . . 7 GLN HB3 . 25299 1 31 . 1 1 4 4 GLN HG2 H 1 2.376 0.020 . 1 . . . . 7 GLN HG2 . 25299 1 32 . 1 1 4 4 GLN HG3 H 1 2.376 0.020 . 1 . . . . 7 GLN HG3 . 25299 1 33 . 1 1 4 4 GLN C C 13 175.647 0.3 . 1 . . . . 7 GLN C . 25299 1 34 . 1 1 4 4 GLN CA C 13 56.030 0.3 . 1 . . . . 7 GLN CA . 25299 1 35 . 1 1 4 4 GLN CB C 13 29.352 0.3 . 1 . . . . 7 GLN CB . 25299 1 36 . 1 1 4 4 GLN CG C 13 33.787 0.3 . 1 . . . . 7 GLN CG . 25299 1 37 . 1 1 4 4 GLN N N 15 119.425 0.3 . 1 . . . . 7 GLN N . 25299 1 38 . 1 1 5 5 GLU H H 1 8.292 0.020 . 1 . . . . 8 GLU H . 25299 1 39 . 1 1 5 5 GLU HA H 1 4.260 0.020 . 1 . . . . 8 GLU HA . 25299 1 40 . 1 1 5 5 GLU HB2 H 1 1.934 0.020 . 1 . . . . 8 GLU HB2 . 25299 1 41 . 1 1 5 5 GLU HB3 H 1 1.934 0.020 . 1 . . . . 8 GLU HB3 . 25299 1 42 . 1 1 5 5 GLU HG2 H 1 2.268 0.020 . 1 . . . . 8 GLU HG2 . 25299 1 43 . 1 1 5 5 GLU HG3 H 1 2.268 0.020 . 1 . . . . 8 GLU HG3 . 25299 1 44 . 1 1 5 5 GLU C C 13 175.671 0.3 . 1 . . . . 8 GLU C . 25299 1 45 . 1 1 5 5 GLU CA C 13 56.413 0.3 . 1 . . . . 8 GLU CA . 25299 1 46 . 1 1 5 5 GLU CB C 13 30.257 0.3 . 1 . . . . 8 GLU CB . 25299 1 47 . 1 1 5 5 GLU CG C 13 36.322 0.3 . 1 . . . . 8 GLU CG . 25299 1 48 . 1 1 5 5 GLU N N 15 121.318 0.3 . 1 . . . . 8 GLU N . 25299 1 49 . 1 1 6 6 ALA H H 1 8.256 0.020 . 1 . . . . 9 ALA H . 25299 1 50 . 1 1 6 6 ALA HA H 1 4.304 0.020 . 1 . . . . 9 ALA HA . 25299 1 51 . 1 1 6 6 ALA HB1 H 1 1.375 0.020 . 1 . . . . 9 ALA HB . 25299 1 52 . 1 1 6 6 ALA HB2 H 1 1.375 0.020 . 1 . . . . 9 ALA HB . 25299 1 53 . 1 1 6 6 ALA HB3 H 1 1.375 0.020 . 1 . . . . 9 ALA HB . 25299 1 54 . 1 1 6 6 ALA C C 13 176.900 0.3 . 1 . . . . 9 ALA C . 25299 1 55 . 1 1 6 6 ALA CA C 13 52.340 0.3 . 1 . . . . 9 ALA CA . 25299 1 56 . 1 1 6 6 ALA CB C 13 19.157 0.3 . 1 . . . . 9 ALA CB . 25299 1 57 . 1 1 6 6 ALA N N 15 125.112 0.3 . 1 . . . . 9 ALA N . 25299 1 58 . 1 1 7 7 LYS H H 1 8.304 0.020 . 1 . . . . 10 LYS H . 25299 1 59 . 1 1 7 7 LYS HA H 1 4.624 0.020 . 1 . . . . 10 LYS HA . 25299 1 60 . 1 1 7 7 LYS HB2 H 1 1.752 0.020 . 1 . . . . 10 LYS HB2 . 25299 1 61 . 1 1 7 7 LYS HB3 H 1 1.752 0.020 . 1 . . . . 10 LYS HB3 . 25299 1 62 . 1 1 7 7 LYS HG2 H 1 1.491 0.020 . 1 . . . . 10 LYS HG2 . 25299 1 63 . 1 1 7 7 LYS HG3 H 1 1.491 0.020 . 1 . . . . 10 LYS HG3 . 25299 1 64 . 1 1 7 7 LYS HE2 H 1 3.014 0.020 . 1 . . . . 10 LYS HE2 . 25299 1 65 . 1 1 7 7 LYS HE3 H 1 3.014 0.020 . 1 . . . . 10 LYS HE3 . 25299 1 66 . 1 1 7 7 LYS CA C 13 54.024 0.3 . 1 . . . . 10 LYS CA . 25299 1 67 . 1 1 7 7 LYS CB C 13 32.507 0.3 . 1 . . . . 10 LYS CB . 25299 1 68 . 1 1 7 7 LYS CG C 13 24.496 0.3 . 1 . . . . 10 LYS CG . 25299 1 69 . 1 1 7 7 LYS N N 15 122.022 0.3 . 1 . . . . 10 LYS N . 25299 1 70 . 1 1 8 8 PRO C C 13 176.611 0.3 . 1 . . . . 11 PRO C . 25299 1 71 . 1 1 8 8 PRO CA C 13 63.114 0.3 . 1 . . . . 11 PRO CA . 25299 1 72 . 1 1 8 8 PRO CB C 13 32.158 0.3 . 1 . . . . 11 PRO CB . 25299 1 73 . 1 1 8 8 PRO CG C 13 27.360 0.3 . 1 . . . . 11 PRO CG . 25299 1 74 . 1 1 8 8 PRO CD C 13 50.714 0.3 . 1 . . . . 11 PRO CD . 25299 1 75 . 1 1 9 9 SER H H 1 8.597 0.020 . 1 . . . . 12 SER H . 25299 1 76 . 1 1 9 9 SER HA H 1 4.508 0.020 . 1 . . . . 12 SER HA . 25299 1 77 . 1 1 9 9 SER HB2 H 1 3.944 0.020 . 1 . . . . 12 SER HB2 . 25299 1 78 . 1 1 9 9 SER HB3 H 1 3.944 0.020 . 1 . . . . 12 SER HB3 . 25299 1 79 . 1 1 9 9 SER C C 13 174.635 0.3 . 1 . . . . 12 SER C . 25299 1 80 . 1 1 9 9 SER CA C 13 58.109 0.3 . 1 . . . . 12 SER CA . 25299 1 81 . 1 1 9 9 SER CB C 13 63.719 0.3 . 1 . . . . 12 SER CB . 25299 1 82 . 1 1 9 9 SER N N 15 116.675 0.3 . 1 . . . . 12 SER N . 25299 1 83 . 1 1 10 10 THR H H 1 8.257 0.020 . 1 . . . . 13 THR H . 25299 1 84 . 1 1 10 10 THR HA H 1 4.362 0.020 . 1 . . . . 13 THR HA . 25299 1 85 . 1 1 10 10 THR HB H 1 3.811 0.020 . 1 . . . . 13 THR HB . 25299 1 86 . 1 1 10 10 THR HG21 H 1 1.216 0.020 . 1 . . . . 13 THR HG2 . 25299 1 87 . 1 1 10 10 THR HG22 H 1 1.216 0.020 . 1 . . . . 13 THR HG2 . 25299 1 88 . 1 1 10 10 THR HG23 H 1 1.216 0.020 . 1 . . . . 13 THR HG2 . 25299 1 89 . 1 1 10 10 THR C C 13 174.250 0.3 . 1 . . . . 13 THR C . 25299 1 90 . 1 1 10 10 THR CA C 13 61.927 0.3 . 1 . . . . 13 THR CA . 25299 1 91 . 1 1 10 10 THR CB C 13 69.536 0.3 . 1 . . . . 13 THR CB . 25299 1 92 . 1 1 10 10 THR CG2 C 13 21.688 0.3 . 1 . . . . 13 THR CG2 . 25299 1 93 . 1 1 10 10 THR N N 15 115.633 0.3 . 1 . . . . 13 THR N . 25299 1 94 . 1 1 11 11 GLU H H 1 8.390 0.020 . 1 . . . . 14 GLU H . 25299 1 95 . 1 1 11 11 GLU HA H 1 4.275 0.020 . 1 . . . . 14 GLU HA . 25299 1 96 . 1 1 11 11 GLU HB2 H 1 1.912 0.020 . 1 . . . . 14 GLU HB2 . 25299 1 97 . 1 1 11 11 GLU HB3 H 1 1.912 0.020 . 1 . . . . 14 GLU HB3 . 25299 1 98 . 1 1 11 11 GLU HG2 H 1 2.231 0.020 . 1 . . . . 14 GLU HG2 . 25299 1 99 . 1 1 11 11 GLU HG3 H 1 2.231 0.020 . 1 . . . . 14 GLU HG3 . 25299 1 100 . 1 1 11 11 GLU C C 13 175.478 0.3 . 1 . . . . 14 GLU C . 25299 1 101 . 1 1 11 11 GLU CA C 13 56.605 0.3 . 1 . . . . 14 GLU CA . 25299 1 102 . 1 1 11 11 GLU CB C 13 30.353 0.3 . 1 . . . . 14 GLU CB . 25299 1 103 . 1 1 11 11 GLU CG C 13 36.237 0.3 . 1 . . . . 14 GLU CG . 25299 1 104 . 1 1 11 11 GLU N N 15 122.868 0.3 . 1 . . . . 14 GLU N . 25299 1 105 . 1 1 12 12 ASP H H 1 8.420 0.020 . 1 . . . . 15 ASP H . 25299 1 106 . 1 1 12 12 ASP HA H 1 4.638 0.020 . 1 . . . . 15 ASP HA . 25299 1 107 . 1 1 12 12 ASP HB2 H 1 2.709 0.020 . 1 . . . . 15 ASP HB2 . 25299 1 108 . 1 1 12 12 ASP HB3 H 1 2.709 0.020 . 1 . . . . 15 ASP HB3 . 25299 1 109 . 1 1 12 12 ASP C C 13 175.936 0.3 . 1 . . . . 15 ASP C . 25299 1 110 . 1 1 12 12 ASP CA C 13 54.153 0.3 . 1 . . . . 15 ASP CA . 25299 1 111 . 1 1 12 12 ASP CB C 13 41.206 0.3 . 1 . . . . 15 ASP CB . 25299 1 112 . 1 1 12 12 ASP N N 15 121.875 0.3 . 1 . . . . 15 ASP N . 25299 1 113 . 1 1 13 13 LEU H H 1 8.386 0.020 . 1 . . . . 16 LEU H . 25299 1 114 . 1 1 13 13 LEU HA H 1 4.348 0.020 . 1 . . . . 16 LEU HA . 25299 1 115 . 1 1 13 13 LEU HB2 H 1 1.680 0.020 . 1 . . . . 16 LEU HB2 . 25299 1 116 . 1 1 13 13 LEU HB3 H 1 1.680 0.020 . 1 . . . . 16 LEU HB3 . 25299 1 117 . 1 1 13 13 LEU HD11 H 1 0.882 0.020 . 1 . . . . 16 LEU HD1 . 25299 1 118 . 1 1 13 13 LEU HD12 H 1 0.882 0.020 . 1 . . . . 16 LEU HD1 . 25299 1 119 . 1 1 13 13 LEU HD13 H 1 0.882 0.020 . 1 . . . . 16 LEU HD1 . 25299 1 120 . 1 1 13 13 LEU HD21 H 1 0.882 0.020 . 1 . . . . 16 LEU HD2 . 25299 1 121 . 1 1 13 13 LEU HD22 H 1 0.882 0.020 . 1 . . . . 16 LEU HD2 . 25299 1 122 . 1 1 13 13 LEU HD23 H 1 0.882 0.020 . 1 . . . . 16 LEU HD2 . 25299 1 123 . 1 1 13 13 LEU C C 13 177.791 0.3 . 1 . . . . 16 LEU C . 25299 1 124 . 1 1 13 13 LEU CA C 13 55.211 0.3 . 1 . . . . 16 LEU CA . 25299 1 125 . 1 1 13 13 LEU CB C 13 42.115 0.3 . 1 . . . . 16 LEU CB . 25299 1 126 . 1 1 13 13 LEU CG C 13 26.817 0.3 . 1 . . . . 16 LEU CG . 25299 1 127 . 1 1 13 13 LEU CD1 C 13 25.098 0.3 . 1 . . . . 16 LEU CD1 . 25299 1 128 . 1 1 13 13 LEU CD2 C 13 23.106 0.3 . 1 . . . . 16 LEU CD2 . 25299 1 129 . 1 1 13 13 LEU N N 15 123.427 0.3 . 1 . . . . 16 LEU N . 25299 1 130 . 1 1 14 14 GLY H H 1 8.478 0.020 . 1 . . . . 17 GLY H . 25299 1 131 . 1 1 14 14 GLY HA2 H 1 3.942 0.020 . 1 . . . . 17 GLY HA2 . 25299 1 132 . 1 1 14 14 GLY HA3 H 1 3.942 0.020 . 1 . . . . 17 GLY HA3 . 25299 1 133 . 1 1 14 14 GLY C C 13 173.623 0.3 . 1 . . . . 17 GLY C . 25299 1 134 . 1 1 14 14 GLY CA C 13 45.514 0.3 . 1 . . . . 17 GLY CA . 25299 1 135 . 1 1 14 14 GLY N N 15 108.798 0.3 . 1 . . . . 17 GLY N . 25299 1 136 . 1 1 15 15 ASP H H 1 8.238 0.020 . 1 . . . . 18 ASP H . 25299 1 137 . 1 1 15 15 ASP HA H 1 4.406 0.020 . 1 . . . . 18 ASP HA . 25299 1 138 . 1 1 15 15 ASP HB2 H 1 2.666 0.020 . 1 . . . . 18 ASP HB2 . 25299 1 139 . 1 1 15 15 ASP HB3 H 1 2.666 0.020 . 1 . . . . 18 ASP HB3 . 25299 1 140 . 1 1 15 15 ASP C C 13 176.057 0.3 . 1 . . . . 18 ASP C . 25299 1 141 . 1 1 15 15 ASP CA C 13 54.292 0.3 . 1 . . . . 18 ASP CA . 25299 1 142 . 1 1 15 15 ASP CB C 13 41.126 0.3 . 1 . . . . 18 ASP CB . 25299 1 143 . 1 1 15 15 ASP N N 15 120.345 0.3 . 1 . . . . 18 ASP N . 25299 1 144 . 1 1 16 16 LYS H H 1 8.310 0.020 . 1 . . . . 19 LYS H . 25299 1 145 . 1 1 16 16 LYS HA H 1 4.347 0.020 . 1 . . . . 19 LYS HA . 25299 1 146 . 1 1 16 16 LYS HB2 H 1 1.738 0.020 . 1 . . . . 19 LYS HB2 . 25299 1 147 . 1 1 16 16 LYS HB3 H 1 1.738 0.020 . 1 . . . . 19 LYS HB3 . 25299 1 148 . 1 1 16 16 LYS HG2 H 1 1.477 0.020 . 1 . . . . 19 LYS HG2 . 25299 1 149 . 1 1 16 16 LYS HG3 H 1 1.477 0.020 . 1 . . . . 19 LYS HG3 . 25299 1 150 . 1 1 16 16 LYS HE2 H 1 3.014 0.020 . 1 . . . . 19 LYS HE2 . 25299 1 151 . 1 1 16 16 LYS HE3 H 1 3.014 0.020 . 1 . . . . 19 LYS HE3 . 25299 1 152 . 1 1 16 16 LYS C C 13 176.370 0.3 . 1 . . . . 19 LYS C . 25299 1 153 . 1 1 16 16 LYS CA C 13 56.264 0.3 . 1 . . . . 19 LYS CA . 25299 1 154 . 1 1 16 16 LYS CB C 13 32.520 0.3 . 1 . . . . 19 LYS CB . 25299 1 155 . 1 1 16 16 LYS CG C 13 24.645 0.3 . 1 . . . . 19 LYS CG . 25299 1 156 . 1 1 16 16 LYS CD C 13 28.990 0.3 . 1 . . . . 19 LYS CD . 25299 1 157 . 1 1 16 16 LYS N N 15 121.168 0.3 . 1 . . . . 19 LYS N . 25299 1 158 . 1 1 17 17 LYS H H 1 8.374 0.020 . 1 . . . . 20 LYS H . 25299 1 159 . 1 1 17 17 LYS HA H 1 4.319 0.020 . 1 . . . . 20 LYS HA . 25299 1 160 . 1 1 17 17 LYS HB2 H 1 1.781 0.020 . 1 . . . . 20 LYS HB2 . 25299 1 161 . 1 1 17 17 LYS HB3 H 1 1.781 0.020 . 1 . . . . 20 LYS HB3 . 25299 1 162 . 1 1 17 17 LYS HG2 H 1 1.448 0.020 . 1 . . . . 20 LYS HG2 . 25299 1 163 . 1 1 17 17 LYS HG3 H 1 1.448 0.020 . 1 . . . . 20 LYS HG3 . 25299 1 164 . 1 1 17 17 LYS HE2 H 1 3.014 0.020 . 1 . . . . 20 LYS HE2 . 25299 1 165 . 1 1 17 17 LYS HE3 H 1 3.014 0.020 . 1 . . . . 20 LYS HE3 . 25299 1 166 . 1 1 17 17 LYS C C 13 176.394 0.3 . 1 . . . . 20 LYS C . 25299 1 167 . 1 1 17 17 LYS CA C 13 56.418 0.3 . 1 . . . . 20 LYS CA . 25299 1 168 . 1 1 17 17 LYS CB C 13 32.520 0.3 . 1 . . . . 20 LYS CB . 25299 1 169 . 1 1 17 17 LYS CG C 13 24.826 0.3 . 1 . . . . 20 LYS CG . 25299 1 170 . 1 1 17 17 LYS CD C 13 28.899 0.3 . 1 . . . . 20 LYS CD . 25299 1 171 . 1 1 17 17 LYS N N 15 122.016 0.3 . 1 . . . . 20 LYS N . 25299 1 172 . 1 1 18 18 GLU H H 1 8.504 0.020 . 1 . . . . 21 GLU H . 25299 1 173 . 1 1 18 18 GLU HA H 1 4.319 0.020 . 1 . . . . 21 GLU HA . 25299 1 174 . 1 1 18 18 GLU HB2 H 1 2.013 0.020 . 1 . . . . 21 GLU HB2 . 25299 1 175 . 1 1 18 18 GLU HB3 H 1 2.013 0.020 . 1 . . . . 21 GLU HB3 . 25299 1 176 . 1 1 18 18 GLU HG2 H 1 2.318 0.020 . 1 . . . . 21 GLU HG2 . 25299 1 177 . 1 1 18 18 GLU HG3 H 1 2.318 0.020 . 1 . . . . 21 GLU HG3 . 25299 1 178 . 1 1 18 18 GLU C C 13 176.514 0.3 . 1 . . . . 21 GLU C . 25299 1 179 . 1 1 18 18 GLU CA C 13 56.828 0.3 . 1 . . . . 21 GLU CA . 25299 1 180 . 1 1 18 18 GLU CB C 13 30.076 0.3 . 1 . . . . 21 GLU CB . 25299 1 181 . 1 1 18 18 GLU CG C 13 36.231 0.3 . 1 . . . . 21 GLU CG . 25299 1 182 . 1 1 18 18 GLU N N 15 121.742 0.3 . 1 . . . . 21 GLU N . 25299 1 183 . 1 1 19 19 GLY H H 1 8.457 0.020 . 1 . . . . 22 GLY H . 25299 1 184 . 1 1 19 19 GLY HA2 H 1 3.985 0.020 . 1 . . . . 22 GLY HA2 . 25299 1 185 . 1 1 19 19 GLY HA3 H 1 3.985 0.020 . 1 . . . . 22 GLY HA3 . 25299 1 186 . 1 1 19 19 GLY C C 13 173.069 0.3 . 1 . . . . 22 GLY C . 25299 1 187 . 1 1 19 19 GLY CA C 13 45.249 0.3 . 1 . . . . 22 GLY CA . 25299 1 188 . 1 1 19 19 GLY N N 15 109.504 0.3 . 1 . . . . 22 GLY N . 25299 1 189 . 1 1 20 20 GLU H H 1 8.262 0.020 . 1 . . . . 23 GLU H . 25299 1 190 . 1 1 20 20 GLU HA H 1 4.261 0.020 . 1 . . . . 23 GLU HA . 25299 1 191 . 1 1 20 20 GLU HB2 H 1 1.984 0.020 . 1 . . . . 23 GLU HB2 . 25299 1 192 . 1 1 20 20 GLU HB3 H 1 1.984 0.020 . 1 . . . . 23 GLU HB3 . 25299 1 193 . 1 1 20 20 GLU HG2 H 1 2.274 0.020 . 1 . . . . 23 GLU HG2 . 25299 1 194 . 1 1 20 20 GLU HG3 H 1 2.274 0.020 . 1 . . . . 23 GLU HG3 . 25299 1 195 . 1 1 20 20 GLU C C 13 173.912 0.3 . 1 . . . . 23 GLU C . 25299 1 196 . 1 1 20 20 GLU CA C 13 56.669 0.3 . 1 . . . . 23 GLU CA . 25299 1 197 . 1 1 20 20 GLU CB C 13 30.833 0.3 . 1 . . . . 23 GLU CB . 25299 1 198 . 1 1 20 20 GLU CG C 13 36.492 0.3 . 1 . . . . 23 GLU CG . 25299 1 199 . 1 1 20 20 GLU N N 15 119.664 0.3 . 1 . . . . 23 GLU N . 25299 1 200 . 1 1 21 21 TYR H H 1 8.355 0.020 . 1 . . . . 24 TYR H . 25299 1 201 . 1 1 21 21 TYR HA H 1 5.117 0.020 . 1 . . . . 24 TYR HA . 25299 1 202 . 1 1 21 21 TYR HB2 H 1 2.825 0.020 . 1 . . . . 24 TYR HB2 . 25299 1 203 . 1 1 21 21 TYR HB3 H 1 2.825 0.020 . 1 . . . . 24 TYR HB3 . 25299 1 204 . 1 1 21 21 TYR C C 13 175.310 0.3 . 1 . . . . 24 TYR C . 25299 1 205 . 1 1 21 21 TYR CA C 13 57.383 0.3 . 1 . . . . 24 TYR CA . 25299 1 206 . 1 1 21 21 TYR CB C 13 41.585 0.3 . 1 . . . . 24 TYR CB . 25299 1 207 . 1 1 21 21 TYR N N 15 119.210 0.3 . 1 . . . . 24 TYR N . 25299 1 208 . 1 1 22 22 ILE H H 1 9.202 0.020 . 1 . . . . 25 ILE H . 25299 1 209 . 1 1 22 22 ILE HA H 1 4.827 0.020 . 1 . . . . 25 ILE HA . 25299 1 210 . 1 1 22 22 ILE HB H 1 2.419 0.020 . 1 . . . . 25 ILE HB . 25299 1 211 . 1 1 22 22 ILE C C 13 173.060 0.3 . 1 . . . . 25 ILE C . 25299 1 212 . 1 1 22 22 ILE CA C 13 59.745 0.3 . 1 . . . . 25 ILE CA . 25299 1 213 . 1 1 22 22 ILE CB C 13 42.839 0.3 . 1 . . . . 25 ILE CB . 25299 1 214 . 1 1 22 22 ILE CG1 C 13 26.231 0.3 . 1 . . . . 25 ILE CG1 . 25299 1 215 . 1 1 22 22 ILE CG2 C 13 17.802 0.3 . 1 . . . . 25 ILE CG2 . 25299 1 216 . 1 1 22 22 ILE CD1 C 13 14.796 0.3 . 1 . . . . 25 ILE CD1 . 25299 1 217 . 1 1 22 22 ILE N N 15 116.730 0.3 . 1 . . . . 25 ILE N . 25299 1 218 . 1 1 23 23 LYS H H 1 8.622 0.020 . 1 . . . . 26 LYS H . 25299 1 219 . 1 1 23 23 LYS HA H 1 4.696 0.020 . 1 . . . . 26 LYS HA . 25299 1 220 . 1 1 23 23 LYS HB2 H 1 2.390 0.020 . 1 . . . . 26 LYS HB2 . 25299 1 221 . 1 1 23 23 LYS HB3 H 1 2.390 0.020 . 1 . . . . 26 LYS HB3 . 25299 1 222 . 1 1 23 23 LYS HE2 H 1 3.014 0.020 . 1 . . . . 26 LYS HE2 . 25299 1 223 . 1 1 23 23 LYS HE3 H 1 3.014 0.020 . 1 . . . . 26 LYS HE3 . 25299 1 224 . 1 1 23 23 LYS C C 13 175.118 0.3 . 1 . . . . 26 LYS C . 25299 1 225 . 1 1 23 23 LYS CA C 13 55.041 0.3 . 1 . . . . 26 LYS CA . 25299 1 226 . 1 1 23 23 LYS CB C 13 33.584 0.3 . 1 . . . . 26 LYS CB . 25299 1 227 . 1 1 23 23 LYS CG C 13 25.098 0.3 . 1 . . . . 26 LYS CG . 25299 1 228 . 1 1 23 23 LYS CD C 13 29.171 0.3 . 1 . . . . 26 LYS CD . 25299 1 229 . 1 1 23 23 LYS CE C 13 41.538 0.3 . 1 . . . . 26 LYS CE . 25299 1 230 . 1 1 23 23 LYS N N 15 123.966 0.3 . 1 . . . . 26 LYS N . 25299 1 231 . 1 1 24 24 LEU H H 1 8.987 0.020 . 1 . . . . 27 LEU H . 25299 1 232 . 1 1 24 24 LEU C C 13 175.478 0.3 . 1 . . . . 27 LEU C . 25299 1 233 . 1 1 24 24 LEU CA C 13 52.900 0.3 . 1 . . . . 27 LEU CA . 25299 1 234 . 1 1 24 24 LEU CB C 13 46.721 0.3 . 1 . . . . 27 LEU CB . 25299 1 235 . 1 1 24 24 LEU CG C 13 26.454 0.3 . 1 . . . . 27 LEU CG . 25299 1 236 . 1 1 24 24 LEU N N 15 124.075 0.3 . 1 . . . . 27 LEU N . 25299 1 237 . 1 1 25 25 LYS H H 1 8.657 0.020 . 1 . . . . 28 LYS H . 25299 1 238 . 1 1 25 25 LYS C C 13 173.695 0.3 . 1 . . . . 28 LYS C . 25299 1 239 . 1 1 25 25 LYS CA C 13 55.010 0.3 . 1 . . . . 28 LYS CA . 25299 1 240 . 1 1 25 25 LYS CB C 13 34.955 0.3 . 1 . . . . 28 LYS CB . 25299 1 241 . 1 1 25 25 LYS CG C 13 24.769 0.3 . 1 . . . . 28 LYS CG . 25299 1 242 . 1 1 25 25 LYS CD C 13 29.623 0.3 . 1 . . . . 28 LYS CD . 25299 1 243 . 1 1 25 25 LYS CE C 13 41.895 0.3 . 1 . . . . 28 LYS CE . 25299 1 244 . 1 1 25 25 LYS N N 15 120.606 0.3 . 1 . . . . 28 LYS N . 25299 1 245 . 1 1 26 26 VAL H H 1 9.149 0.020 . 1 . . . . 29 VAL H . 25299 1 246 . 1 1 26 26 VAL HA H 1 5.088 0.020 . 1 . . . . 29 VAL HA . 25299 1 247 . 1 1 26 26 VAL HB H 1 2.231 0.020 . 1 . . . . 29 VAL HB . 25299 1 248 . 1 1 26 26 VAL HG11 H 1 0.897 0.020 . 1 . . . . 29 VAL HG1 . 25299 1 249 . 1 1 26 26 VAL HG12 H 1 0.897 0.020 . 1 . . . . 29 VAL HG1 . 25299 1 250 . 1 1 26 26 VAL HG13 H 1 0.897 0.020 . 1 . . . . 29 VAL HG1 . 25299 1 251 . 1 1 26 26 VAL HG21 H 1 0.897 0.020 . 1 . . . . 29 VAL HG2 . 25299 1 252 . 1 1 26 26 VAL HG22 H 1 0.897 0.020 . 1 . . . . 29 VAL HG2 . 25299 1 253 . 1 1 26 26 VAL HG23 H 1 0.897 0.020 . 1 . . . . 29 VAL HG2 . 25299 1 254 . 1 1 26 26 VAL C C 13 175.695 0.3 . 1 . . . . 29 VAL C . 25299 1 255 . 1 1 26 26 VAL CA C 13 61.182 0.3 . 1 . . . . 29 VAL CA . 25299 1 256 . 1 1 26 26 VAL CB C 13 32.339 0.3 . 1 . . . . 29 VAL CB . 25299 1 257 . 1 1 26 26 VAL CG1 C 13 23.056 0.3 . 1 . . . . 29 VAL CG1 . 25299 1 258 . 1 1 26 26 VAL CG2 C 13 22.094 0.3 . 1 . . . . 29 VAL CG2 . 25299 1 259 . 1 1 26 26 VAL N N 15 123.987 0.3 . 1 . . . . 29 VAL N . 25299 1 260 . 1 1 27 27 ILE H H 1 9.090 0.020 . 1 . . . . 30 ILE H . 25299 1 261 . 1 1 27 27 ILE HA H 1 5.030 0.020 . 1 . . . . 30 ILE HA . 25299 1 262 . 1 1 27 27 ILE HB H 1 1.796 0.020 . 1 . . . . 30 ILE HB . 25299 1 263 . 1 1 27 27 ILE HD11 H 1 0.984 0.020 . 1 . . . . 30 ILE HD1 . 25299 1 264 . 1 1 27 27 ILE HD12 H 1 0.984 0.020 . 1 . . . . 30 ILE HD1 . 25299 1 265 . 1 1 27 27 ILE HD13 H 1 0.984 0.020 . 1 . . . . 30 ILE HD1 . 25299 1 266 . 1 1 27 27 ILE C C 13 175.551 0.3 . 1 . . . . 30 ILE C . 25299 1 267 . 1 1 27 27 ILE CA C 13 59.870 0.3 . 1 . . . . 30 ILE CA . 25299 1 268 . 1 1 27 27 ILE CB C 13 39.893 0.3 . 1 . . . . 30 ILE CB . 25299 1 269 . 1 1 27 27 ILE CG1 C 13 27.451 0.3 . 1 . . . . 30 ILE CG1 . 25299 1 270 . 1 1 27 27 ILE CG2 C 13 17.034 0.3 . 1 . . . . 30 ILE CG2 . 25299 1 271 . 1 1 27 27 ILE CD1 C 13 13.488 0.3 . 1 . . . . 30 ILE CD1 . 25299 1 272 . 1 1 27 27 ILE N N 15 127.926 0.3 . 1 . . . . 30 ILE N . 25299 1 273 . 1 1 28 28 GLY H H 1 8.516 0.020 . 1 . . . . 31 GLY H . 25299 1 274 . 1 1 28 28 GLY HA2 H 1 3.768 0.020 . 1 . . . . 31 GLY HA2 . 25299 1 275 . 1 1 28 28 GLY HA3 H 1 3.768 0.020 . 1 . . . . 31 GLY HA3 . 25299 1 276 . 1 1 28 28 GLY C C 13 175.093 0.3 . 1 . . . . 31 GLY C . 25299 1 277 . 1 1 28 28 GLY CA C 13 44.070 0.3 . 1 . . . . 31 GLY CA . 25299 1 278 . 1 1 28 28 GLY N N 15 113.156 0.3 . 1 . . . . 31 GLY N . 25299 1 279 . 1 1 29 29 GLN H H 1 8.768 0.020 . 1 . . . . 32 GLN H . 25299 1 280 . 1 1 29 29 GLN HA H 1 4.159 0.020 . 1 . . . . 32 GLN HA . 25299 1 281 . 1 1 29 29 GLN HB2 H 1 2.086 0.020 . 1 . . . . 32 GLN HB2 . 25299 1 282 . 1 1 29 29 GLN HB3 H 1 2.086 0.020 . 1 . . . . 32 GLN HB3 . 25299 1 283 . 1 1 29 29 GLN HG2 H 1 2.419 0.020 . 1 . . . . 32 GLN HG2 . 25299 1 284 . 1 1 29 29 GLN HG3 H 1 2.419 0.020 . 1 . . . . 32 GLN HG3 . 25299 1 285 . 1 1 29 29 GLN C C 13 175.647 0.3 . 1 . . . . 32 GLN C . 25299 1 286 . 1 1 29 29 GLN CA C 13 57.837 0.3 . 1 . . . . 32 GLN CA . 25299 1 287 . 1 1 29 29 GLN CB C 13 28.734 0.3 . 1 . . . . 32 GLN CB . 25299 1 288 . 1 1 29 29 GLN CG C 13 34.560 0.3 . 1 . . . . 32 GLN CG . 25299 1 289 . 1 1 29 29 GLN N N 15 120.338 0.3 . 1 . . . . 32 GLN N . 25299 1 290 . 1 1 30 30 ASP H H 1 8.398 0.020 . 1 . . . . 33 ASP H . 25299 1 291 . 1 1 30 30 ASP HA H 1 4.580 0.020 . 1 . . . . 33 ASP HA . 25299 1 292 . 1 1 30 30 ASP HB2 H 1 2.999 0.020 . 2 . . . . 33 ASP HB2 . 25299 1 293 . 1 1 30 30 ASP HB3 H 1 2.666 0.020 . 2 . . . . 33 ASP HB3 . 25299 1 294 . 1 1 30 30 ASP C C 13 176.032 0.3 . 1 . . . . 33 ASP C . 25299 1 295 . 1 1 30 30 ASP CA C 13 53.418 0.3 . 1 . . . . 33 ASP CA . 25299 1 296 . 1 1 30 30 ASP CB C 13 39.852 0.3 . 1 . . . . 33 ASP CB . 25299 1 297 . 1 1 30 30 ASP N N 15 118.307 0.3 . 1 . . . . 33 ASP N . 25299 1 298 . 1 1 31 31 SER H H 1 8.040 0.020 . 1 . . . . 34 SER H . 25299 1 299 . 1 1 31 31 SER HA H 1 4.087 0.020 . 1 . . . . 34 SER HA . 25299 1 300 . 1 1 31 31 SER C C 13 173.159 0.3 . 1 . . . . 34 SER C . 25299 1 301 . 1 1 31 31 SER CA C 13 60.488 0.3 . 1 . . . . 34 SER CA . 25299 1 302 . 1 1 31 31 SER CB C 13 62.129 0.3 . 1 . . . . 34 SER CB . 25299 1 303 . 1 1 31 31 SER N N 15 111.037 0.3 . 1 . . . . 34 SER N . 25299 1 304 . 1 1 32 32 SER H H 1 8.105 0.020 . 1 . . . . 35 SER H . 25299 1 305 . 1 1 32 32 SER C C 13 173.159 0.3 . 1 . . . . 35 SER C . 25299 1 306 . 1 1 32 32 SER CA C 13 58.806 0.3 . 1 . . . . 35 SER CA . 25299 1 307 . 1 1 32 32 SER CB C 13 63.998 0.3 . 1 . . . . 35 SER CB . 25299 1 308 . 1 1 32 32 SER N N 15 117.267 0.3 . 1 . . . . 35 SER N . 25299 1 309 . 1 1 33 33 GLU H H 1 8.614 0.020 . 1 . . . . 36 GLU H . 25299 1 310 . 1 1 33 33 GLU HA H 1 5.146 0.020 . 1 . . . . 36 GLU HA . 25299 1 311 . 1 1 33 33 GLU HB2 H 1 2.028 0.020 . 1 . . . . 36 GLU HB2 . 25299 1 312 . 1 1 33 33 GLU HB3 H 1 2.028 0.020 . 1 . . . . 36 GLU HB3 . 25299 1 313 . 1 1 33 33 GLU HG2 H 1 2.245 0.020 . 1 . . . . 36 GLU HG2 . 25299 1 314 . 1 1 33 33 GLU HG3 H 1 2.245 0.020 . 1 . . . . 36 GLU HG3 . 25299 1 315 . 1 1 33 33 GLU C C 13 174.881 0.3 . 1 . . . . 36 GLU C . 25299 1 316 . 1 1 33 33 GLU CA C 13 55.370 0.3 . 1 . . . . 36 GLU CA . 25299 1 317 . 1 1 33 33 GLU CB C 13 32.485 0.3 . 1 . . . . 36 GLU CB . 25299 1 318 . 1 1 33 33 GLU CG C 13 36.100 0.3 . 1 . . . . 36 GLU CG . 25299 1 319 . 1 1 33 33 GLU N N 15 121.678 0.3 . 1 . . . . 36 GLU N . 25299 1 320 . 1 1 34 34 ILE H H 1 8.707 0.020 . 1 . . . . 37 ILE H . 25299 1 321 . 1 1 34 34 ILE HA H 1 4.449 0.020 . 1 . . . . 37 ILE HA . 25299 1 322 . 1 1 34 34 ILE HB H 1 1.919 0.020 . 1 . . . . 37 ILE HB . 25299 1 323 . 1 1 34 34 ILE C C 13 174.129 0.3 . 1 . . . . 37 ILE C . 25299 1 324 . 1 1 34 34 ILE CA C 13 60.106 0.3 . 1 . . . . 37 ILE CA . 25299 1 325 . 1 1 34 34 ILE CB C 13 41.028 0.3 . 1 . . . . 37 ILE CB . 25299 1 326 . 1 1 34 34 ILE CG1 C 13 27.414 0.3 . 1 . . . . 37 ILE CG1 . 25299 1 327 . 1 1 34 34 ILE CG2 C 13 18.568 0.3 . 1 . . . . 37 ILE CG2 . 25299 1 328 . 1 1 34 34 ILE CD1 C 13 12.844 0.3 . 1 . . . . 37 ILE CD1 . 25299 1 329 . 1 1 34 34 ILE N N 15 124.257 0.3 . 1 . . . . 37 ILE N . 25299 1 330 . 1 1 35 35 HIS H H 1 8.688 0.020 . 1 . . . . 38 HIS H . 25299 1 331 . 1 1 35 35 HIS C C 13 174.347 0.3 . 1 . . . . 38 HIS C . 25299 1 332 . 1 1 35 35 HIS CA C 13 54.623 0.3 . 1 . . . . 38 HIS CA . 25299 1 333 . 1 1 35 35 HIS CB C 13 32.199 0.3 . 1 . . . . 38 HIS CB . 25299 1 334 . 1 1 35 35 HIS N N 15 125.315 0.3 . 1 . . . . 38 HIS N . 25299 1 335 . 1 1 36 36 PHE H H 1 9.123 0.020 . 1 . . . . 39 PHE H . 25299 1 336 . 1 1 36 36 PHE C C 13 173.575 0.3 . 1 . . . . 39 PHE C . 25299 1 337 . 1 1 36 36 PHE CA C 13 57.061 0.3 . 1 . . . . 39 PHE CA . 25299 1 338 . 1 1 36 36 PHE CB C 13 44.468 0.3 . 1 . . . . 39 PHE CB . 25299 1 339 . 1 1 36 36 PHE N N 15 119.811 0.3 . 1 . . . . 39 PHE N . 25299 1 340 . 1 1 37 37 LYS H H 1 8.797 0.020 . 1 . . . . 40 LYS H . 25299 1 341 . 1 1 37 37 LYS HA H 1 5.320 0.020 . 1 . . . . 40 LYS HA . 25299 1 342 . 1 1 37 37 LYS HD2 H 1 1.651 0.020 . 1 . . . . 40 LYS HD2 . 25299 1 343 . 1 1 37 37 LYS HD3 H 1 1.651 0.020 . 1 . . . . 40 LYS HD3 . 25299 1 344 . 1 1 37 37 LYS CA C 13 55.551 0.3 . 1 . . . . 40 LYS CA . 25299 1 345 . 1 1 37 37 LYS CB C 13 33.769 0.3 . 1 . . . . 40 LYS CB . 25299 1 346 . 1 1 37 37 LYS CG C 13 25.279 0.3 . 1 . . . . 40 LYS CG . 25299 1 347 . 1 1 37 37 LYS CD C 13 29.338 0.3 . 1 . . . . 40 LYS CD . 25299 1 348 . 1 1 37 37 LYS N N 15 123.608 0.3 . 1 . . . . 40 LYS N . 25299 1 349 . 1 1 38 38 VAL H H 1 9.154 0.020 . 1 . . . . 41 VAL H . 25299 1 350 . 1 1 38 38 VAL HA H 1 4.986 0.020 . 1 . . . . 41 VAL HA . 25299 1 351 . 1 1 38 38 VAL HB H 1 2.202 0.020 . 1 . . . . 41 VAL HB . 25299 1 352 . 1 1 38 38 VAL HG11 H 1 0.752 0.020 . 1 . . . . 41 VAL HG1 . 25299 1 353 . 1 1 38 38 VAL HG12 H 1 0.752 0.020 . 1 . . . . 41 VAL HG1 . 25299 1 354 . 1 1 38 38 VAL HG13 H 1 0.752 0.020 . 1 . . . . 41 VAL HG1 . 25299 1 355 . 1 1 38 38 VAL HG21 H 1 0.752 0.020 . 1 . . . . 41 VAL HG2 . 25299 1 356 . 1 1 38 38 VAL HG22 H 1 0.752 0.020 . 1 . . . . 41 VAL HG2 . 25299 1 357 . 1 1 38 38 VAL HG23 H 1 0.752 0.020 . 1 . . . . 41 VAL HG2 . 25299 1 358 . 1 1 38 38 VAL C C 13 173.864 0.3 . 1 . . . . 41 VAL C . 25299 1 359 . 1 1 38 38 VAL CA C 13 58.442 0.3 . 1 . . . . 41 VAL CA . 25299 1 360 . 1 1 38 38 VAL CB C 13 35.616 0.3 . 1 . . . . 41 VAL CB . 25299 1 361 . 1 1 38 38 VAL CG1 C 13 22.285 0.3 . 1 . . . . 41 VAL CG1 . 25299 1 362 . 1 1 38 38 VAL CG2 C 13 19.715 0.3 . 1 . . . . 41 VAL CG2 . 25299 1 363 . 1 1 38 38 VAL N N 15 119.542 0.3 . 1 . . . . 41 VAL N . 25299 1 364 . 1 1 39 39 LYS H H 1 8.596 0.020 . 1 . . . . 42 LYS H . 25299 1 365 . 1 1 39 39 LYS HA H 1 4.580 0.020 . 1 . . . . 42 LYS HA . 25299 1 366 . 1 1 39 39 LYS HG2 H 1 1.803 0.020 . 1 . . . . 42 LYS HG2 . 25299 1 367 . 1 1 39 39 LYS HG3 H 1 1.803 0.020 . 1 . . . . 42 LYS HG3 . 25299 1 368 . 1 1 39 39 LYS C C 13 178.875 0.3 . 1 . . . . 42 LYS C . 25299 1 369 . 1 1 39 39 LYS CA C 13 56.358 0.3 . 1 . . . . 42 LYS CA . 25299 1 370 . 1 1 39 39 LYS CB C 13 33.043 0.3 . 1 . . . . 42 LYS CB . 25299 1 371 . 1 1 39 39 LYS CG C 13 26.337 0.3 . 1 . . . . 42 LYS CG . 25299 1 372 . 1 1 39 39 LYS CD C 13 29.644 0.3 . 1 . . . . 42 LYS CD . 25299 1 373 . 1 1 39 39 LYS CE C 13 40.814 0.3 . 1 . . . . 42 LYS CE . 25299 1 374 . 1 1 39 39 LYS N N 15 122.112 0.3 . 1 . . . . 42 LYS N . 25299 1 375 . 1 1 40 40 MET H H 1 8.574 0.020 . 1 . . . . 43 MET H . 25299 1 376 . 1 1 40 40 MET HA H 1 4.145 0.020 . 1 . . . . 43 MET HA . 25299 1 377 . 1 1 40 40 MET HG2 H 1 3.043 0.020 . 1 . . . . 43 MET HG2 . 25299 1 378 . 1 1 40 40 MET HG3 H 1 3.043 0.020 . 1 . . . . 43 MET HG3 . 25299 1 379 . 1 1 40 40 MET C C 13 176.131 0.3 . 1 . . . . 43 MET C . 25299 1 380 . 1 1 40 40 MET CA C 13 57.384 0.3 . 1 . . . . 43 MET CA . 25299 1 381 . 1 1 40 40 MET CB C 13 32.289 0.3 . 1 . . . . 43 MET CB . 25299 1 382 . 1 1 40 40 MET CG C 13 31.566 0.3 . 1 . . . . 43 MET CG . 25299 1 383 . 1 1 40 40 MET N N 15 119.486 0.3 . 1 . . . . 43 MET N . 25299 1 384 . 1 1 41 41 THR H H 1 7.021 0.020 . 1 . . . . 44 THR H . 25299 1 385 . 1 1 41 41 THR HA H 1 4.362 0.020 . 1 . . . . 44 THR HA . 25299 1 386 . 1 1 41 41 THR C C 13 174.057 0.3 . 1 . . . . 44 THR C . 25299 1 387 . 1 1 41 41 THR CA C 13 60.111 0.3 . 1 . . . . 44 THR CA . 25299 1 388 . 1 1 41 41 THR CB C 13 68.791 0.3 . 1 . . . . 44 THR CB . 25299 1 389 . 1 1 41 41 THR CG2 C 13 21.764 0.3 . 1 . . . . 44 THR CG2 . 25299 1 390 . 1 1 41 41 THR N N 15 99.798 0.3 . 1 . . . . 44 THR N . 25299 1 391 . 1 1 42 42 THR H H 1 7.273 0.020 . 1 . . . . 45 THR H . 25299 1 392 . 1 1 42 42 THR HA H 1 4.188 0.020 . 1 . . . . 45 THR HA . 25299 1 393 . 1 1 42 42 THR HG21 H 1 1.361 0.020 . 1 . . . . 45 THR HG2 . 25299 1 394 . 1 1 42 42 THR HG22 H 1 1.361 0.020 . 1 . . . . 45 THR HG2 . 25299 1 395 . 1 1 42 42 THR HG23 H 1 1.361 0.020 . 1 . . . . 45 THR HG2 . 25299 1 396 . 1 1 42 42 THR C C 13 173.535 0.3 . 1 . . . . 45 THR C . 25299 1 397 . 1 1 42 42 THR CA C 13 63.257 0.3 . 1 . . . . 45 THR CA . 25299 1 398 . 1 1 42 42 THR CB C 13 69.690 0.3 . 1 . . . . 45 THR CB . 25299 1 399 . 1 1 42 42 THR CG2 C 13 22.441 0.3 . 1 . . . . 45 THR CG2 . 25299 1 400 . 1 1 42 42 THR N N 15 120.743 0.3 . 1 . . . . 45 THR N . 25299 1 401 . 1 1 43 43 HIS H H 1 8.797 0.020 . 1 . . . . 46 HIS H . 25299 1 402 . 1 1 43 43 HIS HA H 1 4.798 0.020 . 1 . . . . 46 HIS HA . 25299 1 403 . 1 1 43 43 HIS HB2 H 1 3.271 0.020 . 1 . . . . 46 HIS HB2 . 25299 1 404 . 1 1 43 43 HIS HB3 H 1 3.271 0.020 . 1 . . . . 46 HIS HB3 . 25299 1 405 . 1 1 43 43 HIS C C 13 177.888 0.3 . 1 . . . . 46 HIS C . 25299 1 406 . 1 1 43 43 HIS CA C 13 56.136 0.3 . 1 . . . . 46 HIS CA . 25299 1 407 . 1 1 43 43 HIS CB C 13 29.442 0.3 . 1 . . . . 46 HIS CB . 25299 1 408 . 1 1 43 43 HIS N N 15 125.685 0.3 . 1 . . . . 46 HIS N . 25299 1 409 . 1 1 44 44 LEU H H 1 9.372 0.020 . 1 . . . . 47 LEU H . 25299 1 410 . 1 1 44 44 LEU HA H 1 4.029 0.020 . 1 . . . . 47 LEU HA . 25299 1 411 . 1 1 44 44 LEU HB2 H 1 2.144 0.020 . 1 . . . . 47 LEU HB2 . 25299 1 412 . 1 1 44 44 LEU HB3 H 1 2.144 0.020 . 1 . . . . 47 LEU HB3 . 25299 1 413 . 1 1 44 44 LEU HG H 1 1.114 0.020 . 1 . . . . 47 LEU HG . 25299 1 414 . 1 1 44 44 LEU C C 13 176.800 0.3 . 1 . . . . 47 LEU C . 25299 1 415 . 1 1 44 44 LEU CA C 13 55.963 0.3 . 1 . . . . 47 LEU CA . 25299 1 416 . 1 1 44 44 LEU CB C 13 40.936 0.3 . 1 . . . . 47 LEU CB . 25299 1 417 . 1 1 44 44 LEU CG C 13 30.015 0.3 . 1 . . . . 47 LEU CG . 25299 1 418 . 1 1 44 44 LEU CD1 C 13 26.299 0.3 . 1 . . . . 47 LEU CD1 . 25299 1 419 . 1 1 44 44 LEU CD2 C 13 23.920 0.3 . 1 . . . . 47 LEU CD2 . 25299 1 420 . 1 1 44 44 LEU N N 15 124.554 0.3 . 1 . . . . 47 LEU N . 25299 1 421 . 1 1 45 45 LYS H H 1 8.609 0.020 . 1 . . . . 48 LYS H . 25299 1 422 . 1 1 45 45 LYS HA H 1 5.146 0.020 . 1 . . . . 48 LYS HA . 25299 1 423 . 1 1 45 45 LYS HB2 H 1 2.231 0.020 . 1 . . . . 48 LYS HB2 . 25299 1 424 . 1 1 45 45 LYS HB3 H 1 2.231 0.020 . 1 . . . . 48 LYS HB3 . 25299 1 425 . 1 1 45 45 LYS HG2 H 1 1.999 0.020 . 1 . . . . 48 LYS HG2 . 25299 1 426 . 1 1 45 45 LYS HG3 H 1 1.999 0.020 . 1 . . . . 48 LYS HG3 . 25299 1 427 . 1 1 45 45 LYS C C 13 176.418 0.3 . 1 . . . . 48 LYS C . 25299 1 428 . 1 1 45 45 LYS CA C 13 60.578 0.3 . 1 . . . . 48 LYS CA . 25299 1 429 . 1 1 45 45 LYS CB C 13 33.242 0.3 . 1 . . . . 48 LYS CB . 25299 1 430 . 1 1 45 45 LYS CG C 13 24.859 0.3 . 1 . . . . 48 LYS CG . 25299 1 431 . 1 1 45 45 LYS CD C 13 29.831 0.3 . 1 . . . . 48 LYS CD . 25299 1 432 . 1 1 45 45 LYS N N 15 121.456 0.3 . 1 . . . . 48 LYS N . 25299 1 433 . 1 1 46 46 LYS H H 1 7.627 0.020 . 1 . . . . 49 LYS H . 25299 1 434 . 1 1 46 46 LYS HA H 1 4.130 0.020 . 1 . . . . 49 LYS HA . 25299 1 435 . 1 1 46 46 LYS HB2 H 1 1.854 0.020 . 1 . . . . 49 LYS HB2 . 25299 1 436 . 1 1 46 46 LYS HB3 H 1 1.854 0.020 . 1 . . . . 49 LYS HB3 . 25299 1 437 . 1 1 46 46 LYS HZ1 H 1 7.016 0.020 . 1 . . . . 49 LYS HZ . 25299 1 438 . 1 1 46 46 LYS HZ2 H 1 7.016 0.020 . 1 . . . . 49 LYS HZ . 25299 1 439 . 1 1 46 46 LYS HZ3 H 1 7.016 0.020 . 1 . . . . 49 LYS HZ . 25299 1 440 . 1 1 46 46 LYS C C 13 178.635 0.3 . 1 . . . . 49 LYS C . 25299 1 441 . 1 1 46 46 LYS CA C 13 58.713 0.3 . 1 . . . . 49 LYS CA . 25299 1 442 . 1 1 46 46 LYS CB C 13 31.756 0.3 . 1 . . . . 49 LYS CB . 25299 1 443 . 1 1 46 46 LYS CG C 13 25.131 0.3 . 1 . . . . 49 LYS CG . 25299 1 444 . 1 1 46 46 LYS CD C 13 28.443 0.3 . 1 . . . . 49 LYS CD . 25299 1 445 . 1 1 46 46 LYS N N 15 114.215 0.3 . 1 . . . . 49 LYS N . 25299 1 446 . 1 1 47 47 LEU H H 1 6.790 0.020 . 1 . . . . 50 LEU H . 25299 1 447 . 1 1 47 47 LEU HA H 1 3.695 0.020 . 1 . . . . 50 LEU HA . 25299 1 448 . 1 1 47 47 LEU HB2 H 1 1.462 0.020 . 1 . . . . 50 LEU HB2 . 25299 1 449 . 1 1 47 47 LEU HB3 H 1 1.462 0.020 . 1 . . . . 50 LEU HB3 . 25299 1 450 . 1 1 47 47 LEU HD11 H 1 0.607 0.020 . 1 . . . . 50 LEU HD1 . 25299 1 451 . 1 1 47 47 LEU HD12 H 1 0.607 0.020 . 1 . . . . 50 LEU HD1 . 25299 1 452 . 1 1 47 47 LEU HD13 H 1 0.607 0.020 . 1 . . . . 50 LEU HD1 . 25299 1 453 . 1 1 47 47 LEU HD21 H 1 0.607 0.020 . 1 . . . . 50 LEU HD2 . 25299 1 454 . 1 1 47 47 LEU HD22 H 1 0.607 0.020 . 1 . . . . 50 LEU HD2 . 25299 1 455 . 1 1 47 47 LEU HD23 H 1 0.607 0.020 . 1 . . . . 50 LEU HD2 . 25299 1 456 . 1 1 47 47 LEU C C 13 177.117 0.3 . 1 . . . . 50 LEU C . 25299 1 457 . 1 1 47 47 LEU CA C 13 58.549 0.3 . 1 . . . . 50 LEU CA . 25299 1 458 . 1 1 47 47 LEU CB C 13 41.836 0.3 . 1 . . . . 50 LEU CB . 25299 1 459 . 1 1 47 47 LEU CG C 13 26.858 0.3 . 1 . . . . 50 LEU CG . 25299 1 460 . 1 1 47 47 LEU CD1 C 13 24.192 0.3 . 1 . . . . 50 LEU CD1 . 25299 1 461 . 1 1 47 47 LEU N N 15 121.526 0.3 . 1 . . . . 50 LEU N . 25299 1 462 . 1 1 48 48 LYS H H 1 7.581 0.020 . 1 . . . . 51 LYS H . 25299 1 463 . 1 1 48 48 LYS HA H 1 4.463 0.020 . 1 . . . . 51 LYS HA . 25299 1 464 . 1 1 48 48 LYS C C 13 178.273 0.3 . 1 . . . . 51 LYS C . 25299 1 465 . 1 1 48 48 LYS CA C 13 59.874 0.3 . 1 . . . . 51 LYS CA . 25299 1 466 . 1 1 48 48 LYS CB C 13 30.342 0.3 . 1 . . . . 51 LYS CB . 25299 1 467 . 1 1 48 48 LYS CG C 13 23.118 0.3 . 1 . . . . 51 LYS CG . 25299 1 468 . 1 1 48 48 LYS CD C 13 26.962 0.3 . 1 . . . . 51 LYS CD . 25299 1 469 . 1 1 48 48 LYS CE C 13 43.396 0.3 . 1 . . . . 51 LYS CE . 25299 1 470 . 1 1 48 48 LYS N N 15 118.074 0.3 . 1 . . . . 51 LYS N . 25299 1 471 . 1 1 49 49 GLU H H 1 8.520 0.020 . 1 . . . . 52 GLU H . 25299 1 472 . 1 1 49 49 GLU HA H 1 3.985 0.020 . 1 . . . . 52 GLU HA . 25299 1 473 . 1 1 49 49 GLU HB2 H 1 2.129 0.020 . 1 . . . . 52 GLU HB2 . 25299 1 474 . 1 1 49 49 GLU HB3 H 1 2.129 0.020 . 1 . . . . 52 GLU HB3 . 25299 1 475 . 1 1 49 49 GLU HG2 H 1 2.477 0.020 . 1 . . . . 52 GLU HG2 . 25299 1 476 . 1 1 49 49 GLU HG3 H 1 2.477 0.020 . 1 . . . . 52 GLU HG3 . 25299 1 477 . 1 1 49 49 GLU C C 13 178.996 0.3 . 1 . . . . 52 GLU C . 25299 1 478 . 1 1 49 49 GLU CA C 13 59.648 0.3 . 1 . . . . 52 GLU CA . 25299 1 479 . 1 1 49 49 GLU CB C 13 29.985 0.3 . 1 . . . . 52 GLU CB . 25299 1 480 . 1 1 49 49 GLU CG C 13 36.981 0.3 . 1 . . . . 52 GLU CG . 25299 1 481 . 1 1 49 49 GLU N N 15 117.888 0.3 . 1 . . . . 52 GLU N . 25299 1 482 . 1 1 50 50 SER H H 1 7.981 0.020 . 1 . . . . 53 SER H . 25299 1 483 . 1 1 50 50 SER HA H 1 4.319 0.020 . 1 . . . . 53 SER HA . 25299 1 484 . 1 1 50 50 SER HB2 H 1 4.043 0.020 . 1 . . . . 53 SER HB2 . 25299 1 485 . 1 1 50 50 SER HB3 H 1 4.043 0.020 . 1 . . . . 53 SER HB3 . 25299 1 486 . 1 1 50 50 SER C C 13 176.755 0.3 . 1 . . . . 53 SER C . 25299 1 487 . 1 1 50 50 SER CA C 13 62.118 0.3 . 1 . . . . 53 SER CA . 25299 1 488 . 1 1 50 50 SER CB C 13 63.273 0.3 . 1 . . . . 53 SER CB . 25299 1 489 . 1 1 50 50 SER N N 15 115.472 0.3 . 1 . . . . 53 SER N . 25299 1 490 . 1 1 51 51 TYR H H 1 8.867 0.020 . 1 . . . . 54 TYR H . 25299 1 491 . 1 1 51 51 TYR HA H 1 4.478 0.020 . 1 . . . . 54 TYR HA . 25299 1 492 . 1 1 51 51 TYR HB2 H 1 2.347 0.020 . 1 . . . . 54 TYR HB2 . 25299 1 493 . 1 1 51 51 TYR HB3 H 1 2.347 0.020 . 1 . . . . 54 TYR HB3 . 25299 1 494 . 1 1 51 51 TYR C C 13 176.948 0.3 . 1 . . . . 54 TYR C . 25299 1 495 . 1 1 51 51 TYR CA C 13 63.581 0.3 . 1 . . . . 54 TYR CA . 25299 1 496 . 1 1 51 51 TYR CB C 13 38.584 0.3 . 1 . . . . 54 TYR CB . 25299 1 497 . 1 1 51 51 TYR N N 15 122.429 0.3 . 1 . . . . 54 TYR N . 25299 1 498 . 1 1 52 52 CYS H H 1 8.689 0.020 . 1 . . . . 55 CYS H . 25299 1 499 . 1 1 52 52 CYS HA H 1 3.971 0.020 . 1 . . . . 55 CYS HA . 25299 1 500 . 1 1 52 52 CYS C C 13 176.876 0.3 . 1 . . . . 55 CYS C . 25299 1 501 . 1 1 52 52 CYS CA C 13 65.025 0.3 . 1 . . . . 55 CYS CA . 25299 1 502 . 1 1 52 52 CYS CB C 13 33.852 0.3 . 1 . . . . 55 CYS CB . 25299 1 503 . 1 1 52 52 CYS N N 15 117.257 0.3 . 1 . . . . 55 CYS N . 25299 1 504 . 1 1 53 53 GLN H H 1 8.347 0.020 . 1 . . . . 56 GLN H . 25299 1 505 . 1 1 53 53 GLN HA H 1 4.145 0.020 . 1 . . . . 56 GLN HA . 25299 1 506 . 1 1 53 53 GLN HB2 H 1 2.274 0.020 . 1 . . . . 56 GLN HB2 . 25299 1 507 . 1 1 53 53 GLN HB3 H 1 2.274 0.020 . 1 . . . . 56 GLN HB3 . 25299 1 508 . 1 1 53 53 GLN HG2 H 1 2.840 0.020 . 1 . . . . 56 GLN HG2 . 25299 1 509 . 1 1 53 53 GLN HG3 H 1 2.840 0.020 . 1 . . . . 56 GLN HG3 . 25299 1 510 . 1 1 53 53 GLN C C 13 178.635 0.3 . 1 . . . . 56 GLN C . 25299 1 511 . 1 1 53 53 GLN CA C 13 58.933 0.3 . 1 . . . . 56 GLN CA . 25299 1 512 . 1 1 53 53 GLN CB C 13 28.266 0.3 . 1 . . . . 56 GLN CB . 25299 1 513 . 1 1 53 53 GLN CG C 13 33.968 0.3 . 1 . . . . 56 GLN CG . 25299 1 514 . 1 1 53 53 GLN N N 15 119.033 0.3 . 1 . . . . 56 GLN N . 25299 1 515 . 1 1 54 54 ARG H H 1 8.046 0.020 . 1 . . . . 57 ARG H . 25299 1 516 . 1 1 54 54 ARG HA H 1 4.058 0.020 . 1 . . . . 57 ARG HA . 25299 1 517 . 1 1 54 54 ARG HB2 H 1 1.926 0.020 . 1 . . . . 57 ARG HB2 . 25299 1 518 . 1 1 54 54 ARG HB3 H 1 1.926 0.020 . 1 . . . . 57 ARG HB3 . 25299 1 519 . 1 1 54 54 ARG HD2 H 1 3.086 0.020 . 1 . . . . 57 ARG HD2 . 25299 1 520 . 1 1 54 54 ARG HD3 H 1 3.086 0.020 . 1 . . . . 57 ARG HD3 . 25299 1 521 . 1 1 54 54 ARG C C 13 177.912 0.3 . 1 . . . . 57 ARG C . 25299 1 522 . 1 1 54 54 ARG CA C 13 58.650 0.3 . 1 . . . . 57 ARG CA . 25299 1 523 . 1 1 54 54 ARG CB C 13 29.700 0.3 . 1 . . . . 57 ARG CB . 25299 1 524 . 1 1 54 54 ARG CG C 13 27.070 0.3 . 1 . . . . 57 ARG CG . 25299 1 525 . 1 1 54 54 ARG CD C 13 43.277 0.3 . 1 . . . . 57 ARG CD . 25299 1 526 . 1 1 54 54 ARG N N 15 119.910 0.3 . 1 . . . . 57 ARG N . 25299 1 527 . 1 1 55 55 GLN H H 1 7.866 0.020 . 1 . . . . 58 GLN H . 25299 1 528 . 1 1 55 55 GLN HA H 1 4.304 0.020 . 1 . . . . 58 GLN HA . 25299 1 529 . 1 1 55 55 GLN HB2 H 1 1.651 0.020 . 1 . . . . 58 GLN HB2 . 25299 1 530 . 1 1 55 55 GLN HB3 H 1 1.651 0.020 . 1 . . . . 58 GLN HB3 . 25299 1 531 . 1 1 55 55 GLN HG2 H 1 2.100 0.020 . 1 . . . . 58 GLN HG2 . 25299 1 532 . 1 1 55 55 GLN HG3 H 1 2.100 0.020 . 1 . . . . 58 GLN HG3 . 25299 1 533 . 1 1 55 55 GLN C C 13 176.057 0.3 . 1 . . . . 58 GLN C . 25299 1 534 . 1 1 55 55 GLN CA C 13 55.323 0.3 . 1 . . . . 58 GLN CA . 25299 1 535 . 1 1 55 55 GLN CB C 13 29.810 0.3 . 1 . . . . 58 GLN CB . 25299 1 536 . 1 1 55 55 GLN CG C 13 33.063 0.3 . 1 . . . . 58 GLN CG . 25299 1 537 . 1 1 55 55 GLN N N 15 114.130 0.3 . 1 . . . . 58 GLN N . 25299 1 538 . 1 1 56 56 GLY H H 1 7.976 0.020 . 1 . . . . 59 GLY H . 25299 1 539 . 1 1 56 56 GLY HA2 H 1 3.913 0.020 . 1 . . . . 59 GLY HA2 . 25299 1 540 . 1 1 56 56 GLY HA3 H 1 3.913 0.020 . 1 . . . . 59 GLY HA3 . 25299 1 541 . 1 1 56 56 GLY C C 13 174.442 0.3 . 1 . . . . 59 GLY C . 25299 1 542 . 1 1 56 56 GLY CA C 13 46.626 0.3 . 1 . . . . 59 GLY CA . 25299 1 543 . 1 1 56 56 GLY N N 15 109.643 0.3 . 1 . . . . 59 GLY N . 25299 1 544 . 1 1 57 57 VAL H H 1 7.670 0.020 . 1 . . . . 60 VAL H . 25299 1 545 . 1 1 57 57 VAL HA H 1 4.957 0.020 . 1 . . . . 60 VAL HA . 25299 1 546 . 1 1 57 57 VAL CA C 13 57.494 0.3 . 1 . . . . 60 VAL CA . 25299 1 547 . 1 1 57 57 VAL CB C 13 32.950 0.3 . 1 . . . . 60 VAL CB . 25299 1 548 . 1 1 57 57 VAL CG1 C 13 21.375 0.3 . 1 . . . . 60 VAL CG1 . 25299 1 549 . 1 1 57 57 VAL CG2 C 13 18.773 0.3 . 1 . . . . 60 VAL CG2 . 25299 1 550 . 1 1 57 57 VAL N N 15 112.094 0.3 . 1 . . . . 60 VAL N . 25299 1 551 . 1 1 58 58 PRO C C 13 178.680 0.3 . 1 . . . . 61 PRO C . 25299 1 552 . 1 1 58 58 PRO CA C 13 62.300 0.3 . 1 . . . . 61 PRO CA . 25299 1 553 . 1 1 58 58 PRO CB C 13 32.639 0.3 . 1 . . . . 61 PRO CB . 25299 1 554 . 1 1 58 58 PRO CG C 13 27.773 0.3 . 1 . . . . 61 PRO CG . 25299 1 555 . 1 1 58 58 PRO CD C 13 51.076 0.3 . 1 . . . . 61 PRO CD . 25299 1 556 . 1 1 59 59 MET H H 1 9.008 0.020 . 1 . . . . 62 MET H . 25299 1 557 . 1 1 59 59 MET HA H 1 4.797 0.020 . 1 . . . . 62 MET HA . 25299 1 558 . 1 1 59 59 MET C C 13 177.068 0.3 . 1 . . . . 62 MET C . 25299 1 559 . 1 1 59 59 MET CA C 13 58.426 0.3 . 1 . . . . 62 MET CA . 25299 1 560 . 1 1 59 59 MET CB C 13 32.472 0.3 . 1 . . . . 62 MET CB . 25299 1 561 . 1 1 59 59 MET CE C 13 17.599 0.3 . 1 . . . . 62 MET CE . 25299 1 562 . 1 1 59 59 MET N N 15 124.414 0.3 . 1 . . . . 62 MET N . 25299 1 563 . 1 1 60 60 ASN H H 1 8.451 0.020 . 1 . . . . 63 ASN H . 25299 1 564 . 1 1 60 60 ASN HA H 1 4.696 0.020 . 1 . . . . 63 ASN HA . 25299 1 565 . 1 1 60 60 ASN HB2 H 1 3.061 0.020 . 2 . . . . 63 ASN HB2 . 25299 1 566 . 1 1 60 60 ASN HB3 H 1 2.916 0.020 . 2 . . . . 63 ASN HB3 . 25299 1 567 . 1 1 60 60 ASN C C 13 175.286 0.3 . 1 . . . . 63 ASN C . 25299 1 568 . 1 1 60 60 ASN CA C 13 53.960 0.3 . 1 . . . . 63 ASN CA . 25299 1 569 . 1 1 60 60 ASN CB C 13 37.227 0.3 . 1 . . . . 63 ASN CB . 25299 1 570 . 1 1 60 60 ASN N N 15 113.031 0.3 . 1 . . . . 63 ASN N . 25299 1 571 . 1 1 61 61 SER H H 1 7.970 0.020 . 1 . . . . 64 SER H . 25299 1 572 . 1 1 61 61 SER HA H 1 4.522 0.020 . 1 . . . . 64 SER HA . 25299 1 573 . 1 1 61 61 SER HB2 H 1 4.158 0.020 . 2 . . . . 64 SER HB2 . 25299 1 574 . 1 1 61 61 SER HB3 H 1 3.813 0.020 . 2 . . . . 64 SER HB3 . 25299 1 575 . 1 1 61 61 SER C C 13 172.997 0.3 . 1 . . . . 64 SER C . 25299 1 576 . 1 1 61 61 SER CA C 13 59.459 0.3 . 1 . . . . 64 SER CA . 25299 1 577 . 1 1 61 61 SER CB C 13 64.834 0.3 . 1 . . . . 64 SER CB . 25299 1 578 . 1 1 61 61 SER N N 15 112.995 0.3 . 1 . . . . 64 SER N . 25299 1 579 . 1 1 62 62 LEU H H 1 7.341 0.020 . 1 . . . . 65 LEU H . 25299 1 580 . 1 1 62 62 LEU HA H 1 5.130 0.020 . 1 . . . . 65 LEU HA . 25299 1 581 . 1 1 62 62 LEU HG H 1 1.613 0.020 . 1 . . . . 65 LEU HG . 25299 1 582 . 1 1 62 62 LEU HD11 H 1 0.846 0.020 . 1 . . . . 65 LEU HD1 . 25299 1 583 . 1 1 62 62 LEU HD12 H 1 0.846 0.020 . 1 . . . . 65 LEU HD1 . 25299 1 584 . 1 1 62 62 LEU HD13 H 1 0.846 0.020 . 1 . . . . 65 LEU HD1 . 25299 1 585 . 1 1 62 62 LEU HD21 H 1 0.846 0.020 . 1 . . . . 65 LEU HD2 . 25299 1 586 . 1 1 62 62 LEU HD22 H 1 0.846 0.020 . 1 . . . . 65 LEU HD2 . 25299 1 587 . 1 1 62 62 LEU HD23 H 1 0.846 0.020 . 1 . . . . 65 LEU HD2 . 25299 1 588 . 1 1 62 62 LEU C C 13 175.213 0.3 . 1 . . . . 65 LEU C . 25299 1 589 . 1 1 62 62 LEU CA C 13 53.531 0.3 . 1 . . . . 65 LEU CA . 25299 1 590 . 1 1 62 62 LEU CB C 13 46.146 0.3 . 1 . . . . 65 LEU CB . 25299 1 591 . 1 1 62 62 LEU CG C 13 27.053 0.3 . 1 . . . . 65 LEU CG . 25299 1 592 . 1 1 62 62 LEU CD1 C 13 22.805 0.3 . 1 . . . . 65 LEU CD1 . 25299 1 593 . 1 1 62 62 LEU CD2 C 13 21.884 0.3 . 1 . . . . 65 LEU CD2 . 25299 1 594 . 1 1 62 62 LEU N N 15 120.891 0.3 . 1 . . . . 65 LEU N . 25299 1 595 . 1 1 63 63 ARG H H 1 8.974 0.020 . 1 . . . . 66 ARG H . 25299 1 596 . 1 1 63 63 ARG HA H 1 4.190 0.020 . 1 . . . . 66 ARG HA . 25299 1 597 . 1 1 63 63 ARG HB2 H 1 1.527 0.020 . 1 . . . . 66 ARG HB2 . 25299 1 598 . 1 1 63 63 ARG HB3 H 1 1.527 0.020 . 1 . . . . 66 ARG HB3 . 25299 1 599 . 1 1 63 63 ARG C C 13 172.587 0.3 . 1 . . . . 66 ARG C . 25299 1 600 . 1 1 63 63 ARG CA C 13 54.557 0.3 . 1 . . . . 66 ARG CA . 25299 1 601 . 1 1 63 63 ARG CB C 13 33.286 0.3 . 1 . . . . 66 ARG CB . 25299 1 602 . 1 1 63 63 ARG CG C 13 26.874 0.3 . 1 . . . . 66 ARG CG . 25299 1 603 . 1 1 63 63 ARG CD C 13 43.628 0.3 . 1 . . . . 66 ARG CD . 25299 1 604 . 1 1 63 63 ARG N N 15 119.991 0.3 . 1 . . . . 66 ARG N . 25299 1 605 . 1 1 64 64 PHE H H 1 8.928 0.020 . 1 . . . . 67 PHE H . 25299 1 606 . 1 1 64 64 PHE HA H 1 4.957 0.020 . 1 . . . . 67 PHE HA . 25299 1 607 . 1 1 64 64 PHE HB2 H 1 2.981 0.020 . 1 . . . . 67 PHE HB2 . 25299 1 608 . 1 1 64 64 PHE HB3 H 1 2.981 0.020 . 1 . . . . 67 PHE HB3 . 25299 1 609 . 1 1 64 64 PHE C C 13 173.744 0.3 . 1 . . . . 67 PHE C . 25299 1 610 . 1 1 64 64 PHE CA C 13 56.409 0.3 . 1 . . . . 67 PHE CA . 25299 1 611 . 1 1 64 64 PHE CB C 13 40.773 0.3 . 1 . . . . 67 PHE CB . 25299 1 612 . 1 1 64 64 PHE N N 15 122.487 0.3 . 1 . . . . 67 PHE N . 25299 1 613 . 1 1 65 65 LEU H H 1 9.751 0.020 . 1 . . . . 68 LEU H . 25299 1 614 . 1 1 65 65 LEU HA H 1 5.304 0.020 . 1 . . . . 68 LEU HA . 25299 1 615 . 1 1 65 65 LEU HB2 H 1 1.324 0.020 . 1 . . . . 68 LEU HB2 . 25299 1 616 . 1 1 65 65 LEU HB3 H 1 1.324 0.020 . 1 . . . . 68 LEU HB3 . 25299 1 617 . 1 1 65 65 LEU HG H 1 1.859 0.020 . 1 . . . . 68 LEU HG . 25299 1 618 . 1 1 65 65 LEU HD11 H 1 0.615 0.020 . 1 . . . . 68 LEU HD1 . 25299 1 619 . 1 1 65 65 LEU HD12 H 1 0.615 0.020 . 1 . . . . 68 LEU HD1 . 25299 1 620 . 1 1 65 65 LEU HD13 H 1 0.615 0.020 . 1 . . . . 68 LEU HD1 . 25299 1 621 . 1 1 65 65 LEU HD21 H 1 0.615 0.020 . 1 . . . . 68 LEU HD2 . 25299 1 622 . 1 1 65 65 LEU HD22 H 1 0.615 0.020 . 1 . . . . 68 LEU HD2 . 25299 1 623 . 1 1 65 65 LEU HD23 H 1 0.615 0.020 . 1 . . . . 68 LEU HD2 . 25299 1 624 . 1 1 65 65 LEU C C 13 175.526 0.3 . 1 . . . . 68 LEU C . 25299 1 625 . 1 1 65 65 LEU CA C 13 53.728 0.3 . 1 . . . . 68 LEU CA . 25299 1 626 . 1 1 65 65 LEU CB C 13 46.344 0.3 . 1 . . . . 68 LEU CB . 25299 1 627 . 1 1 65 65 LEU CG C 13 28.098 0.3 . 1 . . . . 68 LEU CG . 25299 1 628 . 1 1 65 65 LEU CD1 C 13 25.387 0.3 . 1 . . . . 68 LEU CD1 . 25299 1 629 . 1 1 65 65 LEU CD2 C 13 24.039 0.3 . 1 . . . . 68 LEU CD2 . 25299 1 630 . 1 1 65 65 LEU N N 15 124.052 0.3 . 1 . . . . 68 LEU N . 25299 1 631 . 1 1 66 66 PHE H H 1 9.031 0.020 . 1 . . . . 69 PHE H . 25299 1 632 . 1 1 66 66 PHE HA H 1 5.217 0.020 . 1 . . . . 69 PHE HA . 25299 1 633 . 1 1 66 66 PHE HB2 H 1 2.670 0.020 . 2 . . . . 69 PHE HB2 . 25299 1 634 . 1 1 66 66 PHE HB3 H 1 2.829 0.020 . 2 . . . . 69 PHE HB3 . 25299 1 635 . 1 1 66 66 PHE C C 13 174.539 0.3 . 1 . . . . 69 PHE C . 25299 1 636 . 1 1 66 66 PHE CA C 13 56.416 0.3 . 1 . . . . 69 PHE CA . 25299 1 637 . 1 1 66 66 PHE CB C 13 41.945 0.3 . 1 . . . . 69 PHE CB . 25299 1 638 . 1 1 66 66 PHE N N 15 119.373 0.3 . 1 . . . . 69 PHE N . 25299 1 639 . 1 1 67 67 GLU H H 1 9.409 0.020 . 1 . . . . 70 GLU H . 25299 1 640 . 1 1 67 67 GLU HA H 1 3.582 0.020 . 1 . . . . 70 GLU HA . 25299 1 641 . 1 1 67 67 GLU HB2 H 1 1.382 0.020 . 1 . . . . 70 GLU HB2 . 25299 1 642 . 1 1 67 67 GLU HG2 H 1 1.847 0.020 . 1 . . . . 70 GLU HG2 . 25299 1 643 . 1 1 67 67 GLU HG3 H 1 1.847 0.020 . 1 . . . . 70 GLU HG3 . 25299 1 644 . 1 1 67 67 GLU C C 13 176.365 0.3 . 1 . . . . 70 GLU C . 25299 1 645 . 1 1 67 67 GLU CA C 13 56.869 0.3 . 1 . . . . 70 GLU CA . 25299 1 646 . 1 1 67 67 GLU CB C 13 26.910 0.3 . 1 . . . . 70 GLU CB . 25299 1 647 . 1 1 67 67 GLU CG C 13 35.416 0.3 . 1 . . . . 70 GLU CG . 25299 1 648 . 1 1 67 67 GLU N N 15 128.939 0.3 . 1 . . . . 70 GLU N . 25299 1 649 . 1 1 68 68 GLY H H 1 8.855 0.020 . 1 . . . . 71 GLY H . 25299 1 650 . 1 1 68 68 GLY HA2 H 1 4.117 0.020 . 2 . . . . 71 GLY HA2 . 25299 1 651 . 1 1 68 68 GLY HA3 H 1 3.466 0.020 . 2 . . . . 71 GLY HA3 . 25299 1 652 . 1 1 68 68 GLY C C 13 173.141 0.3 . 1 . . . . 71 GLY C . 25299 1 653 . 1 1 68 68 GLY CA C 13 45.367 0.3 . 1 . . . . 71 GLY CA . 25299 1 654 . 1 1 68 68 GLY N N 15 103.124 0.3 . 1 . . . . 71 GLY N . 25299 1 655 . 1 1 69 69 GLN H H 1 8.023 0.020 . 1 . . . . 72 GLN H . 25299 1 656 . 1 1 69 69 GLN HA H 1 4.629 0.020 . 1 . . . . 72 GLN HA . 25299 1 657 . 1 1 69 69 GLN HB2 H 1 2.129 0.020 . 1 . . . . 72 GLN HB2 . 25299 1 658 . 1 1 69 69 GLN HB3 H 1 2.129 0.020 . 1 . . . . 72 GLN HB3 . 25299 1 659 . 1 1 69 69 GLN HG2 H 1 2.376 0.020 . 1 . . . . 72 GLN HG2 . 25299 1 660 . 1 1 69 69 GLN HG3 H 1 2.376 0.020 . 1 . . . . 72 GLN HG3 . 25299 1 661 . 1 1 69 69 GLN C C 13 174.804 0.3 . 1 . . . . 72 GLN C . 25299 1 662 . 1 1 69 69 GLN CA C 13 53.820 0.3 . 1 . . . . 72 GLN CA . 25299 1 663 . 1 1 69 69 GLN CB C 13 30.891 0.3 . 1 . . . . 72 GLN CB . 25299 1 664 . 1 1 69 69 GLN CG C 13 33.581 0.3 . 1 . . . . 72 GLN CG . 25299 1 665 . 1 1 69 69 GLN N N 15 120.532 0.3 . 1 . . . . 72 GLN N . 25299 1 666 . 1 1 70 70 ARG H H 1 8.844 0.020 . 1 . . . . 73 ARG H . 25299 1 667 . 1 1 70 70 ARG HA H 1 4.392 0.020 . 1 . . . . 73 ARG HA . 25299 1 668 . 1 1 70 70 ARG HB2 H 1 1.774 0.020 . 2 . . . . 73 ARG HB2 . 25299 1 669 . 1 1 70 70 ARG HB3 H 1 1.134 0.020 . 2 . . . . 73 ARG HB3 . 25299 1 670 . 1 1 70 70 ARG C C 13 176.538 0.3 . 1 . . . . 73 ARG C . 25299 1 671 . 1 1 70 70 ARG CA C 13 57.284 0.3 . 1 . . . . 73 ARG CA . 25299 1 672 . 1 1 70 70 ARG CB C 13 30.465 0.3 . 1 . . . . 73 ARG CB . 25299 1 673 . 1 1 70 70 ARG CG C 13 28.113 0.3 . 1 . . . . 73 ARG CG . 25299 1 674 . 1 1 70 70 ARG CD C 13 43.535 0.3 . 1 . . . . 73 ARG CD . 25299 1 675 . 1 1 70 70 ARG N N 15 125.113 0.3 . 1 . . . . 73 ARG N . 25299 1 676 . 1 1 71 71 ILE H H 1 8.992 0.020 . 1 . . . . 74 ILE H . 25299 1 677 . 1 1 71 71 ILE HA H 1 4.537 0.020 . 1 . . . . 74 ILE HA . 25299 1 678 . 1 1 71 71 ILE HB H 1 0.919 0.020 . 1 . . . . 74 ILE HB . 25299 1 679 . 1 1 71 71 ILE HG12 H 1 1.584 0.020 . 1 . . . . 74 ILE HG12 . 25299 1 680 . 1 1 71 71 ILE HG13 H 1 1.584 0.020 . 1 . . . . 74 ILE HG13 . 25299 1 681 . 1 1 71 71 ILE CA C 13 61.150 0.3 . 1 . . . . 74 ILE CA . 25299 1 682 . 1 1 71 71 ILE CB C 13 39.121 0.3 . 1 . . . . 74 ILE CB . 25299 1 683 . 1 1 71 71 ILE CG1 C 13 27.671 0.3 . 1 . . . . 74 ILE CG1 . 25299 1 684 . 1 1 71 71 ILE CG2 C 13 18.970 0.3 . 1 . . . . 74 ILE CG2 . 25299 1 685 . 1 1 71 71 ILE CD1 C 13 15.383 0.3 . 1 . . . . 74 ILE CD1 . 25299 1 686 . 1 1 71 71 ILE N N 15 126.660 0.3 . 1 . . . . 74 ILE N . 25299 1 687 . 1 1 72 72 ALA C C 13 177.623 0.3 . 1 . . . . 75 ALA C . 25299 1 688 . 1 1 72 72 ALA CA C 13 50.743 0.3 . 1 . . . . 75 ALA CA . 25299 1 689 . 1 1 72 72 ALA CB C 13 18.447 0.3 . 1 . . . . 75 ALA CB . 25299 1 690 . 1 1 73 73 ASP H H 1 8.787 0.020 . 1 . . . . 76 ASP H . 25299 1 691 . 1 1 73 73 ASP C C 13 175.743 0.3 . 1 . . . . 76 ASP C . 25299 1 692 . 1 1 73 73 ASP CA C 13 57.240 0.3 . 1 . . . . 76 ASP CA . 25299 1 693 . 1 1 73 73 ASP CB C 13 40.148 0.3 . 1 . . . . 76 ASP CB . 25299 1 694 . 1 1 73 73 ASP N N 15 120.484 0.3 . 1 . . . . 76 ASP N . 25299 1 695 . 1 1 74 74 ASN H H 1 7.784 0.020 . 1 . . . . 77 ASN H . 25299 1 696 . 1 1 74 74 ASN HA H 1 4.334 0.020 . 1 . . . . 77 ASN HA . 25299 1 697 . 1 1 74 74 ASN HB2 H 1 2.641 0.020 . 1 . . . . 77 ASN HB2 . 25299 1 698 . 1 1 74 74 ASN HB3 H 1 2.641 0.020 . 1 . . . . 77 ASN HB3 . 25299 1 699 . 1 1 74 74 ASN C C 13 175.671 0.3 . 1 . . . . 77 ASN C . 25299 1 700 . 1 1 74 74 ASN CA C 13 51.974 0.3 . 1 . . . . 77 ASN CA . 25299 1 701 . 1 1 74 74 ASN CB C 13 37.342 0.3 . 1 . . . . 77 ASN CB . 25299 1 702 . 1 1 74 74 ASN N N 15 109.444 0.3 . 1 . . . . 77 ASN N . 25299 1 703 . 1 1 75 75 HIS H H 1 7.224 0.020 . 1 . . . . 78 HIS H . 25299 1 704 . 1 1 75 75 HIS HA H 1 4.942 0.020 . 1 . . . . 78 HIS HA . 25299 1 705 . 1 1 75 75 HIS HB2 H 1 3.336 0.020 . 2 . . . . 78 HIS HB2 . 25299 1 706 . 1 1 75 75 HIS HB3 H 1 2.815 0.020 . 2 . . . . 78 HIS HB3 . 25299 1 707 . 1 1 75 75 HIS C C 13 175.189 0.3 . 1 . . . . 78 HIS C . 25299 1 708 . 1 1 75 75 HIS CA C 13 56.682 0.3 . 1 . . . . 78 HIS CA . 25299 1 709 . 1 1 75 75 HIS CB C 13 33.541 0.3 . 1 . . . . 78 HIS CB . 25299 1 710 . 1 1 75 75 HIS N N 15 119.768 0.3 . 1 . . . . 78 HIS N . 25299 1 711 . 1 1 76 76 THR H H 1 7.336 0.020 . 1 . . . . 79 THR H . 25299 1 712 . 1 1 76 76 THR HA H 1 5.261 0.020 . 1 . . . . 79 THR HA . 25299 1 713 . 1 1 76 76 THR HG1 H 1 5.782 0.020 . 1 . . . . 79 THR HG1 . 25299 1 714 . 1 1 76 76 THR CA C 13 58.745 0.3 . 1 . . . . 79 THR CA . 25299 1 715 . 1 1 76 76 THR CB C 13 69.889 0.3 . 1 . . . . 79 THR CB . 25299 1 716 . 1 1 76 76 THR CG2 C 13 21.629 0.3 . 1 . . . . 79 THR CG2 . 25299 1 717 . 1 1 76 76 THR N N 15 108.230 0.3 . 1 . . . . 79 THR N . 25299 1 718 . 1 1 77 77 PRO C C 13 178.056 0.3 . 1 . . . . 80 PRO C . 25299 1 719 . 1 1 77 77 PRO CA C 13 65.739 0.3 . 1 . . . . 80 PRO CA . 25299 1 720 . 1 1 77 77 PRO CB C 13 32.701 0.3 . 1 . . . . 80 PRO CB . 25299 1 721 . 1 1 77 77 PRO CG C 13 27.994 0.3 . 1 . . . . 80 PRO CG . 25299 1 722 . 1 1 77 77 PRO N N 15 119.000 0.3 . 1 . . . . 80 PRO N . 25299 1 723 . 1 1 78 78 LYS H H 1 8.116 0.020 . 1 . . . . 81 LYS H . 25299 1 724 . 1 1 78 78 LYS HA H 1 3.958 0.020 . 1 . . . . 81 LYS HA . 25299 1 725 . 1 1 78 78 LYS C C 13 178.900 0.3 . 1 . . . . 81 LYS C . 25299 1 726 . 1 1 78 78 LYS CA C 13 59.086 0.3 . 1 . . . . 81 LYS CA . 25299 1 727 . 1 1 78 78 LYS CB C 13 32.882 0.3 . 1 . . . . 81 LYS CB . 25299 1 728 . 1 1 78 78 LYS CG C 13 24.373 0.3 . 1 . . . . 81 LYS CG . 25299 1 729 . 1 1 78 78 LYS CD C 13 29.339 0.3 . 1 . . . . 81 LYS CD . 25299 1 730 . 1 1 78 78 LYS CE C 13 42.206 0.3 . 1 . . . . 81 LYS CE . 25299 1 731 . 1 1 78 78 LYS N N 15 115.265 0.3 . 1 . . . . 81 LYS N . 25299 1 732 . 1 1 79 79 GLU H H 1 8.011 0.020 . 1 . . . . 82 GLU H . 25299 1 733 . 1 1 79 79 GLU HA H 1 3.969 0.020 . 1 . . . . 82 GLU HA . 25299 1 734 . 1 1 79 79 GLU C C 13 178.153 0.3 . 1 . . . . 82 GLU C . 25299 1 735 . 1 1 79 79 GLU CA C 13 58.888 0.3 . 1 . . . . 82 GLU CA . 25299 1 736 . 1 1 79 79 GLU CB C 13 30.150 0.3 . 1 . . . . 82 GLU CB . 25299 1 737 . 1 1 79 79 GLU CG C 13 36.231 0.3 . 1 . . . . 82 GLU CG . 25299 1 738 . 1 1 79 79 GLU N N 15 120.751 0.3 . 1 . . . . 82 GLU N . 25299 1 739 . 1 1 80 80 LEU H H 1 7.529 0.020 . 1 . . . . 83 LEU H . 25299 1 740 . 1 1 80 80 LEU HA H 1 4.233 0.020 . 1 . . . . 83 LEU HA . 25299 1 741 . 1 1 80 80 LEU HB2 H 1 1.469 0.020 . 1 . . . . 83 LEU HB2 . 25299 1 742 . 1 1 80 80 LEU HB3 H 1 1.469 0.020 . 1 . . . . 83 LEU HB3 . 25299 1 743 . 1 1 80 80 LEU C C 13 176.322 0.3 . 1 . . . . 83 LEU C . 25299 1 744 . 1 1 80 80 LEU CA C 13 54.682 0.3 . 1 . . . . 83 LEU CA . 25299 1 745 . 1 1 80 80 LEU CB C 13 42.442 0.3 . 1 . . . . 83 LEU CB . 25299 1 746 . 1 1 80 80 LEU CG C 13 27.123 0.3 . 1 . . . . 83 LEU CG . 25299 1 747 . 1 1 80 80 LEU CD1 C 13 25.715 0.3 . 1 . . . . 83 LEU CD1 . 25299 1 748 . 1 1 80 80 LEU CD2 C 13 21.088 0.3 . 1 . . . . 83 LEU CD2 . 25299 1 749 . 1 1 80 80 LEU N N 15 114.989 0.3 . 1 . . . . 83 LEU N . 25299 1 750 . 1 1 81 81 GLY H H 1 7.698 0.020 . 1 . . . . 84 GLY H . 25299 1 751 . 1 1 81 81 GLY HA2 H 1 3.929 0.020 . 1 . . . . 84 GLY HA2 . 25299 1 752 . 1 1 81 81 GLY HA3 H 1 3.929 0.020 . 1 . . . . 84 GLY HA3 . 25299 1 753 . 1 1 81 81 GLY C C 13 174.972 0.3 . 1 . . . . 84 GLY C . 25299 1 754 . 1 1 81 81 GLY CA C 13 46.370 0.3 . 1 . . . . 84 GLY CA . 25299 1 755 . 1 1 81 81 GLY N N 15 107.997 0.3 . 1 . . . . 84 GLY N . 25299 1 756 . 1 1 82 82 MET H H 1 7.670 0.020 . 1 . . . . 85 MET H . 25299 1 757 . 1 1 82 82 MET HA H 1 4.204 0.020 . 1 . . . . 85 MET HA . 25299 1 758 . 1 1 82 82 MET HB2 H 1 1.281 0.020 . 1 . . . . 85 MET HB2 . 25299 1 759 . 1 1 82 82 MET HB3 H 1 1.281 0.020 . 1 . . . . 85 MET HB3 . 25299 1 760 . 1 1 82 82 MET HG2 H 1 2.670 0.020 . 1 . . . . 85 MET HG2 . 25299 1 761 . 1 1 82 82 MET HG3 H 1 2.670 0.020 . 1 . . . . 85 MET HG3 . 25299 1 762 . 1 1 82 82 MET C C 13 174.089 0.3 . 1 . . . . 85 MET C . 25299 1 763 . 1 1 82 82 MET CA C 13 56.973 0.3 . 1 . . . . 85 MET CA . 25299 1 764 . 1 1 82 82 MET CB C 13 34.889 0.3 . 1 . . . . 85 MET CB . 25299 1 765 . 1 1 82 82 MET CG C 13 33.454 0.3 . 1 . . . . 85 MET CG . 25299 1 766 . 1 1 82 82 MET CE C 13 18.883 0.3 . 1 . . . . 85 MET CE . 25299 1 767 . 1 1 82 82 MET N N 15 117.521 0.3 . 1 . . . . 85 MET N . 25299 1 768 . 1 1 83 83 GLU H H 1 9.360 0.020 . 1 . . . . 86 GLU H . 25299 1 769 . 1 1 83 83 GLU HA H 1 4.450 0.020 . 1 . . . . 86 GLU HA . 25299 1 770 . 1 1 83 83 GLU HB2 H 1 1.787 0.020 . 1 . . . . 86 GLU HB2 . 25299 1 771 . 1 1 83 83 GLU HB3 H 1 1.787 0.020 . 1 . . . . 86 GLU HB3 . 25299 1 772 . 1 1 83 83 GLU HG2 H 1 2.250 0.020 . 1 . . . . 86 GLU HG2 . 25299 1 773 . 1 1 83 83 GLU HG3 H 1 2.250 0.020 . 1 . . . . 86 GLU HG3 . 25299 1 774 . 1 1 83 83 GLU C C 13 175.089 0.3 . 1 . . . . 86 GLU C . 25299 1 775 . 1 1 83 83 GLU CA C 13 56.672 0.3 . 1 . . . . 86 GLU CA . 25299 1 776 . 1 1 83 83 GLU CB C 13 26.150 0.3 . 1 . . . . 86 GLU CB . 25299 1 777 . 1 1 83 83 GLU CG C 13 36.051 0.3 . 1 . . . . 86 GLU CG . 25299 1 778 . 1 1 83 83 GLU N N 15 120.887 0.3 . 1 . . . . 86 GLU N . 25299 1 779 . 1 1 84 84 GLU H H 1 8.364 0.020 . 1 . . . . 87 GLU H . 25299 1 780 . 1 1 84 84 GLU HA H 1 4.305 0.020 . 1 . . . . 87 GLU HA . 25299 1 781 . 1 1 84 84 GLU HB2 H 1 2.260 0.020 . 1 . . . . 87 GLU HB2 . 25299 1 782 . 1 1 84 84 GLU HB3 H 1 2.260 0.020 . 1 . . . . 87 GLU HB3 . 25299 1 783 . 1 1 84 84 GLU HG2 H 1 2.593 0.020 . 1 . . . . 87 GLU HG2 . 25299 1 784 . 1 1 84 84 GLU HG3 H 1 2.593 0.020 . 1 . . . . 87 GLU HG3 . 25299 1 785 . 1 1 84 84 GLU C C 13 177.093 0.3 . 1 . . . . 87 GLU C . 25299 1 786 . 1 1 84 84 GLU CA C 13 58.961 0.3 . 1 . . . . 87 GLU CA . 25299 1 787 . 1 1 84 84 GLU CB C 13 29.985 0.3 . 1 . . . . 87 GLU CB . 25299 1 788 . 1 1 84 84 GLU CG C 13 35.016 0.3 . 1 . . . . 87 GLU CG . 25299 1 789 . 1 1 84 84 GLU N N 15 119.175 0.3 . 1 . . . . 87 GLU N . 25299 1 790 . 1 1 85 85 GLU H H 1 9.388 0.020 . 1 . . . . 88 GLU H . 25299 1 791 . 1 1 85 85 GLU HA H 1 3.726 0.020 . 1 . . . . 88 GLU HA . 25299 1 792 . 1 1 85 85 GLU HB2 H 1 2.352 0.020 . 1 . . . . 88 GLU HB2 . 25299 1 793 . 1 1 85 85 GLU HB3 H 1 2.352 0.020 . 1 . . . . 88 GLU HB3 . 25299 1 794 . 1 1 85 85 GLU C C 13 174.659 0.3 . 1 . . . . 88 GLU C . 25299 1 795 . 1 1 85 85 GLU CA C 13 58.700 0.3 . 1 . . . . 88 GLU CA . 25299 1 796 . 1 1 85 85 GLU CB C 13 26.683 0.3 . 1 . . . . 88 GLU CB . 25299 1 797 . 1 1 85 85 GLU CG C 13 37.317 0.3 . 1 . . . . 88 GLU CG . 25299 1 798 . 1 1 85 85 GLU N N 15 118.716 0.3 . 1 . . . . 88 GLU N . 25299 1 799 . 1 1 86 86 ASP H H 1 8.194 0.020 . 1 . . . . 89 ASP H . 25299 1 800 . 1 1 86 86 ASP HA H 1 4.914 0.020 . 1 . . . . 89 ASP HA . 25299 1 801 . 1 1 86 86 ASP HB2 H 1 2.641 0.020 . 1 . . . . 89 ASP HB2 . 25299 1 802 . 1 1 86 86 ASP HB3 H 1 2.641 0.020 . 1 . . . . 89 ASP HB3 . 25299 1 803 . 1 1 86 86 ASP C C 13 174.057 0.3 . 1 . . . . 89 ASP C . 25299 1 804 . 1 1 86 86 ASP CA C 13 55.486 0.3 . 1 . . . . 89 ASP CA . 25299 1 805 . 1 1 86 86 ASP CB C 13 42.106 0.3 . 1 . . . . 89 ASP CB . 25299 1 806 . 1 1 86 86 ASP N N 15 120.183 0.3 . 1 . . . . 89 ASP N . 25299 1 807 . 1 1 87 87 VAL H H 1 8.214 0.020 . 1 . . . . 90 VAL H . 25299 1 808 . 1 1 87 87 VAL HA H 1 4.957 0.020 . 1 . . . . 90 VAL HA . 25299 1 809 . 1 1 87 87 VAL HB H 1 2.019 0.020 . 1 . . . . 90 VAL HB . 25299 1 810 . 1 1 87 87 VAL HG11 H 1 1.107 0.020 . 1 . . . . 90 VAL HG1 . 25299 1 811 . 1 1 87 87 VAL HG12 H 1 1.107 0.020 . 1 . . . . 90 VAL HG1 . 25299 1 812 . 1 1 87 87 VAL HG13 H 1 1.107 0.020 . 1 . . . . 90 VAL HG1 . 25299 1 813 . 1 1 87 87 VAL HG21 H 1 0.948 0.020 . 1 . . . . 90 VAL HG2 . 25299 1 814 . 1 1 87 87 VAL HG22 H 1 0.948 0.020 . 1 . . . . 90 VAL HG2 . 25299 1 815 . 1 1 87 87 VAL HG23 H 1 0.948 0.020 . 1 . . . . 90 VAL HG2 . 25299 1 816 . 1 1 87 87 VAL C C 13 175.623 0.3 . 1 . . . . 90 VAL C . 25299 1 817 . 1 1 87 87 VAL CA C 13 61.447 0.3 . 1 . . . . 90 VAL CA . 25299 1 818 . 1 1 87 87 VAL CB C 13 34.964 0.3 . 1 . . . . 90 VAL CB . 25299 1 819 . 1 1 87 87 VAL CG1 C 13 21.930 0.3 . 1 . . . . 90 VAL CG1 . 25299 1 820 . 1 1 87 87 VAL N N 15 116.511 0.3 . 1 . . . . 90 VAL N . 25299 1 821 . 1 1 88 88 ILE H H 1 9.207 0.020 . 1 . . . . 91 ILE H . 25299 1 822 . 1 1 88 88 ILE HA H 1 4.826 0.020 . 1 . . . . 91 ILE HA . 25299 1 823 . 1 1 88 88 ILE HB H 1 1.744 0.020 . 1 . . . . 91 ILE HB . 25299 1 824 . 1 1 88 88 ILE HG12 H 1 0.919 0.020 . 1 . . . . 91 ILE HG12 . 25299 1 825 . 1 1 88 88 ILE HG13 H 1 0.919 0.020 . 1 . . . . 91 ILE HG13 . 25299 1 826 . 1 1 88 88 ILE C C 13 174.466 0.3 . 1 . . . . 91 ILE C . 25299 1 827 . 1 1 88 88 ILE CA C 13 59.582 0.3 . 1 . . . . 91 ILE CA . 25299 1 828 . 1 1 88 88 ILE CB C 13 40.923 0.3 . 1 . . . . 91 ILE CB . 25299 1 829 . 1 1 88 88 ILE CG1 C 13 27.938 0.3 . 1 . . . . 91 ILE CG1 . 25299 1 830 . 1 1 88 88 ILE CG2 C 13 17.963 0.3 . 1 . . . . 91 ILE CG2 . 25299 1 831 . 1 1 88 88 ILE CD1 C 13 14.796 0.3 . 1 . . . . 91 ILE CD1 . 25299 1 832 . 1 1 88 88 ILE N N 15 127.324 0.3 . 1 . . . . 91 ILE N . 25299 1 833 . 1 1 89 89 GLU H H 1 8.909 0.020 . 1 . . . . 92 GLU H . 25299 1 834 . 1 1 89 89 GLU HA H 1 4.870 0.020 . 1 . . . . 92 GLU HA . 25299 1 835 . 1 1 89 89 GLU HB2 H 1 1.946 0.020 . 1 . . . . 92 GLU HB2 . 25299 1 836 . 1 1 89 89 GLU HB3 H 1 1.946 0.020 . 1 . . . . 92 GLU HB3 . 25299 1 837 . 1 1 89 89 GLU HG2 H 1 2.250 0.020 . 1 . . . . 92 GLU HG2 . 25299 1 838 . 1 1 89 89 GLU HG3 H 1 2.250 0.020 . 1 . . . . 92 GLU HG3 . 25299 1 839 . 1 1 89 89 GLU C C 13 174.828 0.3 . 1 . . . . 92 GLU C . 25299 1 840 . 1 1 89 89 GLU CA C 13 55.061 0.3 . 1 . . . . 92 GLU CA . 25299 1 841 . 1 1 89 89 GLU CB C 13 33.244 0.3 . 1 . . . . 92 GLU CB . 25299 1 842 . 1 1 89 89 GLU CG C 13 36.865 0.3 . 1 . . . . 92 GLU CG . 25299 1 843 . 1 1 89 89 GLU N N 15 125.786 0.3 . 1 . . . . 92 GLU N . 25299 1 844 . 1 1 90 90 VAL H H 1 7.828 0.020 . 1 . . . . 93 VAL H . 25299 1 845 . 1 1 90 90 VAL HA H 1 4.219 0.020 . 1 . . . . 93 VAL HA . 25299 1 846 . 1 1 90 90 VAL HB H 1 1.295 0.020 . 1 . . . . 93 VAL HB . 25299 1 847 . 1 1 90 90 VAL HG11 H 1 0.210 0.020 . 1 . . . . 93 VAL HG1 . 25299 1 848 . 1 1 90 90 VAL HG12 H 1 0.210 0.020 . 1 . . . . 93 VAL HG1 . 25299 1 849 . 1 1 90 90 VAL HG13 H 1 0.210 0.020 . 1 . . . . 93 VAL HG1 . 25299 1 850 . 1 1 90 90 VAL HG21 H 1 0.036 0.020 . 1 . . . . 93 VAL HG2 . 25299 1 851 . 1 1 90 90 VAL HG22 H 1 0.036 0.020 . 1 . . . . 93 VAL HG2 . 25299 1 852 . 1 1 90 90 VAL HG23 H 1 0.036 0.020 . 1 . . . . 93 VAL HG2 . 25299 1 853 . 1 1 90 90 VAL C C 13 174.525 0.3 . 1 . . . . 93 VAL C . 25299 1 854 . 1 1 90 90 VAL CA C 13 59.690 0.3 . 1 . . . . 93 VAL CA . 25299 1 855 . 1 1 90 90 VAL CB C 13 33.989 0.3 . 1 . . . . 93 VAL CB . 25299 1 856 . 1 1 90 90 VAL N N 15 119.646 0.3 . 1 . . . . 93 VAL N . 25299 1 857 . 1 1 91 91 TYR H H 1 8.597 0.020 . 1 . . . . 94 TYR H . 25299 1 858 . 1 1 91 91 TYR HA H 1 5.188 0.020 . 1 . . . . 94 TYR HA . 25299 1 859 . 1 1 91 91 TYR HB2 H 1 1.774 0.020 . 1 . . . . 94 TYR HB2 . 25299 1 860 . 1 1 91 91 TYR HB3 H 1 1.774 0.020 . 1 . . . . 94 TYR HB3 . 25299 1 861 . 1 1 91 91 TYR C C 13 174.129 0.3 . 1 . . . . 94 TYR C . 25299 1 862 . 1 1 91 91 TYR CA C 13 56.261 0.3 . 1 . . . . 94 TYR CA . 25299 1 863 . 1 1 91 91 TYR CB C 13 42.456 0.3 . 1 . . . . 94 TYR CB . 25299 1 864 . 1 1 91 91 TYR N N 15 124.262 0.3 . 1 . . . . 94 TYR N . 25299 1 865 . 1 1 92 92 GLN H H 1 8.728 0.020 . 1 . . . . 95 GLN H . 25299 1 866 . 1 1 92 92 GLN HA H 1 4.580 0.020 . 1 . . . . 95 GLN HA . 25299 1 867 . 1 1 92 92 GLN HB2 H 1 2.033 0.020 . 1 . . . . 95 GLN HB2 . 25299 1 868 . 1 1 92 92 GLN HB3 H 1 2.033 0.020 . 1 . . . . 95 GLN HB3 . 25299 1 869 . 1 1 92 92 GLN HG2 H 1 2.424 0.020 . 1 . . . . 95 GLN HG2 . 25299 1 870 . 1 1 92 92 GLN HG3 H 1 2.424 0.020 . 1 . . . . 95 GLN HG3 . 25299 1 871 . 1 1 92 92 GLN C C 13 176.105 0.3 . 1 . . . . 95 GLN C . 25299 1 872 . 1 1 92 92 GLN CA C 13 56.076 0.3 . 1 . . . . 95 GLN CA . 25299 1 873 . 1 1 92 92 GLN CB C 13 29.442 0.3 . 1 . . . . 95 GLN CB . 25299 1 874 . 1 1 92 92 GLN CG C 13 33.965 0.3 . 1 . . . . 95 GLN CG . 25299 1 875 . 1 1 92 92 GLN N N 15 120.886 0.3 . 1 . . . . 95 GLN N . 25299 1 876 . 1 1 93 93 GLU H H 1 8.479 0.020 . 1 . . . . 96 GLU H . 25299 1 877 . 1 1 93 93 GLU HA H 1 4.363 0.020 . 1 . . . . 96 GLU HA . 25299 1 878 . 1 1 93 93 GLU HB2 H 1 1.729 0.020 . 1 . . . . 96 GLU HB2 . 25299 1 879 . 1 1 93 93 GLU HB3 H 1 1.729 0.020 . 1 . . . . 96 GLU HB3 . 25299 1 880 . 1 1 93 93 GLU HG2 H 1 2.163 0.020 . 1 . . . . 96 GLU HG2 . 25299 1 881 . 1 1 93 93 GLU HG3 H 1 2.163 0.020 . 1 . . . . 96 GLU HG3 . 25299 1 882 . 1 1 93 93 GLU C C 13 175.936 0.3 . 1 . . . . 96 GLU C . 25299 1 883 . 1 1 93 93 GLU CA C 13 56.391 0.3 . 1 . . . . 96 GLU CA . 25299 1 884 . 1 1 93 93 GLU CB C 13 30.438 0.3 . 1 . . . . 96 GLU CB . 25299 1 885 . 1 1 93 93 GLU CG C 13 35.435 0.3 . 1 . . . . 96 GLU CG . 25299 1 886 . 1 1 93 93 GLU N N 15 124.981 0.3 . 1 . . . . 96 GLU N . 25299 1 887 . 1 1 94 94 GLN H H 1 8.796 0.020 . 1 . . . . 97 GLN H . 25299 1 888 . 1 1 94 94 GLN HA H 1 4.465 0.020 . 1 . . . . 97 GLN HA . 25299 1 889 . 1 1 94 94 GLN HB2 H 1 2.019 0.020 . 1 . . . . 97 GLN HB2 . 25299 1 890 . 1 1 94 94 GLN HB3 H 1 2.019 0.020 . 1 . . . . 97 GLN HB3 . 25299 1 891 . 1 1 94 94 GLN HG2 H 1 2.352 0.020 . 1 . . . . 97 GLN HG2 . 25299 1 892 . 1 1 94 94 GLN C C 13 175.792 0.3 . 1 . . . . 97 GLN C . 25299 1 893 . 1 1 94 94 GLN CA C 13 55.806 0.3 . 1 . . . . 97 GLN CA . 25299 1 894 . 1 1 94 94 GLN CB C 13 29.422 0.3 . 1 . . . . 97 GLN CB . 25299 1 895 . 1 1 94 94 GLN CG C 13 33.678 0.3 . 1 . . . . 97 GLN CG . 25299 1 896 . 1 1 94 94 GLN N N 15 122.487 0.3 . 1 . . . . 97 GLN N . 25299 1 897 . 1 1 95 95 THR H H 1 8.364 0.020 . 1 . . . . 98 THR H . 25299 1 898 . 1 1 95 95 THR HA H 1 4.363 0.020 . 1 . . . . 98 THR HA . 25299 1 899 . 1 1 95 95 THR HG21 H 1 1.194 0.020 . 1 . . . . 98 THR HG2 . 25299 1 900 . 1 1 95 95 THR HG22 H 1 1.194 0.020 . 1 . . . . 98 THR HG2 . 25299 1 901 . 1 1 95 95 THR HG23 H 1 1.194 0.020 . 1 . . . . 98 THR HG2 . 25299 1 902 . 1 1 95 95 THR C C 13 174.852 0.3 . 1 . . . . 98 THR C . 25299 1 903 . 1 1 95 95 THR CA C 13 62.051 0.3 . 1 . . . . 98 THR CA . 25299 1 904 . 1 1 95 95 THR CB C 13 69.812 0.3 . 1 . . . . 98 THR CB . 25299 1 905 . 1 1 95 95 THR CG2 C 13 21.487 0.3 . 1 . . . . 98 THR CG2 . 25299 1 906 . 1 1 95 95 THR N N 15 115.543 0.3 . 1 . . . . 98 THR N . 25299 1 907 . 1 1 96 96 GLY H H 1 8.562 0.020 . 1 . . . . 99 GLY H . 25299 1 908 . 1 1 96 96 GLY HA2 H 1 4.001 0.020 . 1 . . . . 99 GLY HA2 . 25299 1 909 . 1 1 96 96 GLY HA3 H 1 4.001 0.020 . 1 . . . . 99 GLY HA3 . 25299 1 910 . 1 1 96 96 GLY C C 13 174.274 0.3 . 1 . . . . 99 GLY C . 25299 1 911 . 1 1 96 96 GLY CA C 13 45.486 0.3 . 1 . . . . 99 GLY CA . 25299 1 912 . 1 1 96 96 GLY N N 15 111.338 0.3 . 1 . . . . 99 GLY N . 25299 1 913 . 1 1 97 97 GLY H H 1 8.351 0.020 . 1 . . . . 100 GLY H . 25299 1 914 . 1 1 97 97 GLY HA2 H 1 4.000 0.020 . 1 . . . . 100 GLY HA2 . 25299 1 915 . 1 1 97 97 GLY HA3 H 1 4.000 0.020 . 1 . . . . 100 GLY HA3 . 25299 1 916 . 1 1 97 97 GLY CA C 13 45.532 0.3 . 1 . . . . 100 GLY CA . 25299 1 917 . 1 1 97 97 GLY N N 15 108.720 0.3 . 1 . . . . 100 GLY N . 25299 1 stop_ save_