data_25527 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25527 _Entry.Title ; Chemical shift assignments and structure of the alpha-crystallin domain from human, HSPB5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-06-01 _Entry.Accession_date 2015-06-01 _Entry.Last_release_date 2015-06-01 _Entry.Original_release_date 2015-06-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _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 Ponni Rajagopal . . . 25527 2 Rachel Klevit . E. . 25527 3 Lei Shi . . . 25527 4 David Baker . . . 25527 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' . 25527 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ACD . 25527 Protein . 25527 crystallin . 25527 human . 25527 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25527 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 359 25527 '15N chemical shifts' 95 25527 '1H chemical shifts' 622 25527 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 . . 2015-06-01 . original BMRB . 25527 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N0K 'BMRB Entry Tracking System' 25527 stop_ save_ ############### # Citations # ############### save_HSPB5_ACD _Citation.Sf_category citations _Citation.Sf_framecode HSPB5_ACD _Citation.Entry_ID 25527 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25962097 _Citation.Full_citation . _Citation.Title ; A conserved histidine modulates HSPB5 structure to trigger chaperone activity in response to stress-related acidosis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev eLife _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 2015 _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 Ponni Rajagopal . . . 25527 1 2 Eric Tse . . . 25527 1 3 Andrew Borst . J. . 25527 1 4 Scott Delbecq . P. . 25527 1 5 Lei Shi . . . 25527 1 6 Katja Dove . D. . 25527 1 7 David Baker . . . 25527 1 8 Daniel Southworth . R. . 25527 1 9 Rachel Klevit . E. . 25527 1 stop_ save_ save_reference_1 _Citation.Sf_category citations _Citation.Sf_framecode reference_1 _Citation.Entry_ID 25527 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016 _Citation.PubMed_ID 19041879 _Citation.Full_citation . _Citation.Title ; AlphaB-crystallin: A Hybrid Solid-state/solution-state NMR Investigation Reveals Structural Aspects of the Heterogeneous Oligomer. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 385 _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 1481 _Citation.Page_last 1497 _Citation.Year 2009 _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 Stefan Jehle . . . 25527 2 2 Barth 'van Rossum' . . . 25527 2 3 Joseph Stout . R. . 25527 2 4 Satoshi Noguchi . M. . 25527 2 5 Katja Falber . . . 25527 2 6 Kristina Rehbein . J. . 25527 2 7 Hartmut Oschkinat . . . 25527 2 8 Rachel Klevit . E. . 25527 2 9 Ponni Rajagopal . J. . 25527 2 stop_ save_ save_reference_2 _Citation.Sf_category citations _Citation.Sf_framecode reference_2 _Citation.Entry_ID 25527 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038 _Citation.PubMed_ID 20802487 _Citation.Full_citation . _Citation.Title ; Solid-state NMR and SAXS studies provide a structural basis for the activation of alphaB-crystallin oligomers. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 17 _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 1037 _Citation.Page_last 1043 _Citation.Year 2010 _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 Stefan Jehle . . . 25527 3 2 Ponni Rajagopal . . . 25527 3 3 Benjamin Bardiaux . J. . 25527 3 4 Stefan Markovic . J. . 25527 3 5 Ronald Kuhne . . . 25527 3 6 Joseph Stout . R. . 25527 3 7 Victoria Higman . . . 25527 3 8 Rachel Klevit . E. . 25527 3 9 Barth 'van Rossum' . J . 25527 3 10 Hartmut Oschkinat . . . 25527 3 stop_ save_ save_reference_3 _Citation.Sf_category citations _Citation.Sf_framecode reference_3 _Citation.Entry_ID 25527 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1073 _Citation.PubMed_ID 21464278 _Citation.Full_citation . _Citation.Title ; N-terminal domain of alphB-crystallin provides a confirmational switch for multimerization and structural heterogeneity. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 108 _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 6409 _Citation.Page_last 6414 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Stefan Jehle . . . 25527 4 2 Breanna Vollmar . . . 25527 4 3 Benjamin Bardiaux . J. . 25527 4 4 Katja Dove . K. . 25527 4 5 Ponni Rajagopal . . . 25527 4 6 Tamir Gonen . J. . 25527 4 7 Hartmut Oschkinat . . . 25527 4 8 Rachel Klevit . E. . 25527 4 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25527 _Assembly.ID 1 _Assembly.Name 'alpha-crystallin domain from human, HSPB5' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 HSPB5-ACD_1 1 $HSPB5-ACD A . yes native no no . . . 25527 1 2 HSPB5-ACD_2 1 $HSPB5-ACD B . yes native no no . . . 25527 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HSPB5-ACD _Entity.Sf_category entity _Entity.Sf_framecode HSPB5-ACD _Entity.Entry_ID 25527 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HSPB5-ACD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GLSEMRLEKDRFSVNLDVKH FSPEELKVKVLGDVIEVHGK HEERQDEHGFISREFHRKYR IPADVDPLTITSSLSSDGVL TVDGPRKQV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'This is the alpha-crystallin domain from human HSPB5.' _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 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation N146D _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10200.596 _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 16391 . alphaB-crystallin . . . . . 100.00 175 98.88 100.00 4.97e-54 . . . . 25527 1 2 no BMRB 26640 . aB . . . . . 100.00 175 98.88 100.00 4.97e-54 . . . . 25527 1 3 no PDB 2KLR . "Solid-State Nmr Structure Of The Alpha-Crystallin Domain In Alphab- Crystallin Oligomers" . . . . . 100.00 175 98.88 100.00 4.97e-54 . . . . 25527 1 4 no PDB 2N0K . "Chemical Shift Assignments And Structure Of The Alpha-crystallin Domain From Human, Hspb5" . . . . . 100.00 89 100.00 100.00 2.38e-55 . . . . 25527 1 5 no PDB 2Y1Y . "Human Alphab Crystallin Acd(Residues 71-157)" . . . . . 92.13 90 97.56 98.78 1.39e-48 . . . . 25527 1 6 no PDB 2YGD . "Molecular Architectures Of The 24meric Eye Lens Chaperone Alphab-crystallin Elucidated By A Triple Hybrid Approach" . . . . . 100.00 175 98.88 100.00 4.97e-54 . . . . 25527 1 7 no PDB 3L1G . "Human Alphab Crystallin" . . . . . 95.51 96 98.82 100.00 7.52e-52 . . . . 25527 1 8 no PDB 4M5S . "Human Alphab Crystallin Core Domain In Complex With C-terminal Peptide" . . . . . 95.51 87 98.82 100.00 5.47e-52 . . . . 25527 1 9 no PDB 4M5T . "Disulfide Trapped Human Alphab Crystallin Core Domain In Complex With C-terminal Peptide" . . . . . 95.51 87 97.65 98.82 5.27e-51 . . . . 25527 1 10 no DBJ BAD51947 . "crystallin, alpha B [Macaca fascicularis]" . . . . . 100.00 175 97.75 100.00 9.74e-54 . . . . 25527 1 11 no DBJ BAE27257 . "unnamed protein product [Mus musculus]" . . . . . 100.00 175 98.88 100.00 3.96e-54 . . . . 25527 1 12 no DBJ BAE40798 . "unnamed protein product [Mus musculus]" . . . . . 100.00 175 98.88 100.00 3.96e-54 . . . . 25527 1 13 no DBJ BAE87237 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 175 97.75 100.00 9.74e-54 . . . . 25527 1 14 no DBJ BAG36739 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 175 98.88 100.00 4.97e-54 . . . . 25527 1 15 no EMBL CAA64669 . "alpha-B-crystallin [Oryctolagus cuniculus]" . . . . . 100.00 175 97.75 98.88 1.69e-53 . . . . 25527 1 16 no EMBL CAH91560 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 175 98.88 100.00 4.97e-54 . . . . 25527 1 17 no EMBL CAJ18549 . "Cryab [Mus musculus]" . . . . . 100.00 175 98.88 100.00 3.96e-54 . . . . 25527 1 18 no EMBL CAL37427 . "hypothetical protein, partial [synthetic construct]" . . . . . 100.00 175 98.88 100.00 4.97e-54 . . . . 25527 1 19 no EMBL CAL37905 . "hypothetical protein [synthetic construct]" . . . . . 100.00 175 98.88 100.00 4.97e-54 . . . . 25527 1 20 no GB AAA37472 . "alpha-B crystallin [Mus musculus]" . . . . . 100.00 175 98.88 100.00 3.96e-54 . . . . 25527 1 21 no GB AAA52104 . "alpha-B2-crystallin [Homo sapiens]" . . . . . 100.00 175 98.88 100.00 4.97e-54 . . . . 25527 1 22 no GB AAA60267 . "alpha-B-crystallin, partial [Homo sapiens]" . . . . . 51.69 69 97.83 100.00 3.48e-23 . . . . 25527 1 23 no GB AAA67045 . "alpha(B)-2-crystallin [Mus musculus domesticus]" . . . . . 100.00 175 98.88 100.00 3.96e-54 . . . . 25527 1 24 no GB AAB23453 . "alpha B-crystallin [Homo sapiens]" . . . . . 100.00 175 98.88 100.00 4.97e-54 . . . . 25527 1 25 no REF NP_001075876 . "alpha-crystallin B chain [Oryctolagus cuniculus]" . . . . . 100.00 175 97.75 98.88 1.69e-53 . . . . 25527 1 26 no REF NP_001125917 . "alpha-crystallin B chain [Pongo abelii]" . . . . . 100.00 175 98.88 100.00 4.97e-54 . . . . 25527 1 27 no REF NP_001166547 . "alpha-crystallin B chain [Cavia porcellus]" . . . . . 100.00 175 98.88 100.00 3.05e-54 . . . . 25527 1 28 no REF NP_001247830 . "alpha-crystallin B chain [Macaca mulatta]" . . . . . 100.00 175 97.75 100.00 9.74e-54 . . . . 25527 1 29 no REF NP_001271991 . "alpha-crystallin B chain [Macaca fascicularis]" . . . . . 100.00 175 97.75 100.00 9.74e-54 . . . . 25527 1 30 no SP P02511 . "RecName: Full=Alpha-crystallin B chain; AltName: Full=Alpha(B)-crystallin; AltName: Full=Heat shock protein beta-5; Short=HspB5" . . . . . 100.00 175 98.88 100.00 4.97e-54 . . . . 25527 1 31 no SP P23927 . "RecName: Full=Alpha-crystallin B chain; AltName: Full=Alpha(B)-crystallin; AltName: Full=P23" . . . . . 100.00 175 98.88 100.00 3.96e-54 . . . . 25527 1 32 no SP P41316 . "RecName: Full=Alpha-crystallin B chain; AltName: Full=Alpha(B)-crystallin" . . . . . 100.00 175 97.75 98.88 1.69e-53 . . . . 25527 1 33 no SP Q5R9K0 . "RecName: Full=Alpha-crystallin B chain; AltName: Full=Alpha(B)-crystallin" . . . . . 100.00 175 98.88 100.00 4.97e-54 . . . . 25527 1 34 no SP Q60HG8 . "RecName: Full=Alpha-crystallin B chain; AltName: Full=Alpha(B)-crystallin" . . . . . 100.00 175 97.75 100.00 9.74e-54 . . . . 25527 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 64 GLY . 25527 1 2 65 LEU . 25527 1 3 66 SER . 25527 1 4 67 GLU . 25527 1 5 68 MET . 25527 1 6 69 ARG . 25527 1 7 70 LEU . 25527 1 8 71 GLU . 25527 1 9 72 LYS . 25527 1 10 73 ASP . 25527 1 11 74 ARG . 25527 1 12 75 PHE . 25527 1 13 76 SER . 25527 1 14 77 VAL . 25527 1 15 78 ASN . 25527 1 16 79 LEU . 25527 1 17 80 ASP . 25527 1 18 81 VAL . 25527 1 19 82 LYS . 25527 1 20 83 HIS . 25527 1 21 84 PHE . 25527 1 22 85 SER . 25527 1 23 86 PRO . 25527 1 24 87 GLU . 25527 1 25 88 GLU . 25527 1 26 89 LEU . 25527 1 27 90 LYS . 25527 1 28 91 VAL . 25527 1 29 92 LYS . 25527 1 30 93 VAL . 25527 1 31 94 LEU . 25527 1 32 95 GLY . 25527 1 33 96 ASP . 25527 1 34 97 VAL . 25527 1 35 98 ILE . 25527 1 36 99 GLU . 25527 1 37 100 VAL . 25527 1 38 101 HIS . 25527 1 39 102 GLY . 25527 1 40 103 LYS . 25527 1 41 104 HIS . 25527 1 42 105 GLU . 25527 1 43 106 GLU . 25527 1 44 107 ARG . 25527 1 45 108 GLN . 25527 1 46 109 ASP . 25527 1 47 110 GLU . 25527 1 48 111 HIS . 25527 1 49 112 GLY . 25527 1 50 113 PHE . 25527 1 51 114 ILE . 25527 1 52 115 SER . 25527 1 53 116 ARG . 25527 1 54 117 GLU . 25527 1 55 118 PHE . 25527 1 56 119 HIS . 25527 1 57 120 ARG . 25527 1 58 121 LYS . 25527 1 59 122 TYR . 25527 1 60 123 ARG . 25527 1 61 124 ILE . 25527 1 62 125 PRO . 25527 1 63 126 ALA . 25527 1 64 127 ASP . 25527 1 65 128 VAL . 25527 1 66 129 ASP . 25527 1 67 130 PRO . 25527 1 68 131 LEU . 25527 1 69 132 THR . 25527 1 70 133 ILE . 25527 1 71 134 THR . 25527 1 72 135 SER . 25527 1 73 136 SER . 25527 1 74 137 LEU . 25527 1 75 138 SER . 25527 1 76 139 SER . 25527 1 77 140 ASP . 25527 1 78 141 GLY . 25527 1 79 142 VAL . 25527 1 80 143 LEU . 25527 1 81 144 THR . 25527 1 82 145 VAL . 25527 1 83 146 ASP . 25527 1 84 147 GLY . 25527 1 85 148 PRO . 25527 1 86 149 ARG . 25527 1 87 150 LYS . 25527 1 88 151 GLN . 25527 1 89 152 VAL . 25527 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 . GLY 1 1 25527 1 . LEU 2 2 25527 1 . SER 3 3 25527 1 . GLU 4 4 25527 1 . MET 5 5 25527 1 . ARG 6 6 25527 1 . LEU 7 7 25527 1 . GLU 8 8 25527 1 . LYS 9 9 25527 1 . ASP 10 10 25527 1 . ARG 11 11 25527 1 . PHE 12 12 25527 1 . SER 13 13 25527 1 . VAL 14 14 25527 1 . ASN 15 15 25527 1 . LEU 16 16 25527 1 . ASP 17 17 25527 1 . VAL 18 18 25527 1 . LYS 19 19 25527 1 . HIS 20 20 25527 1 . PHE 21 21 25527 1 . SER 22 22 25527 1 . PRO 23 23 25527 1 . GLU 24 24 25527 1 . GLU 25 25 25527 1 . LEU 26 26 25527 1 . LYS 27 27 25527 1 . VAL 28 28 25527 1 . LYS 29 29 25527 1 . VAL 30 30 25527 1 . LEU 31 31 25527 1 . GLY 32 32 25527 1 . ASP 33 33 25527 1 . VAL 34 34 25527 1 . ILE 35 35 25527 1 . GLU 36 36 25527 1 . VAL 37 37 25527 1 . HIS 38 38 25527 1 . GLY 39 39 25527 1 . LYS 40 40 25527 1 . HIS 41 41 25527 1 . GLU 42 42 25527 1 . GLU 43 43 25527 1 . ARG 44 44 25527 1 . GLN 45 45 25527 1 . ASP 46 46 25527 1 . GLU 47 47 25527 1 . HIS 48 48 25527 1 . GLY 49 49 25527 1 . PHE 50 50 25527 1 . ILE 51 51 25527 1 . SER 52 52 25527 1 . ARG 53 53 25527 1 . GLU 54 54 25527 1 . PHE 55 55 25527 1 . HIS 56 56 25527 1 . ARG 57 57 25527 1 . LYS 58 58 25527 1 . TYR 59 59 25527 1 . ARG 60 60 25527 1 . ILE 61 61 25527 1 . PRO 62 62 25527 1 . ALA 63 63 25527 1 . ASP 64 64 25527 1 . VAL 65 65 25527 1 . ASP 66 66 25527 1 . PRO 67 67 25527 1 . LEU 68 68 25527 1 . THR 69 69 25527 1 . ILE 70 70 25527 1 . THR 71 71 25527 1 . SER 72 72 25527 1 . SER 73 73 25527 1 . LEU 74 74 25527 1 . SER 75 75 25527 1 . SER 76 76 25527 1 . ASP 77 77 25527 1 . GLY 78 78 25527 1 . VAL 79 79 25527 1 . LEU 80 80 25527 1 . THR 81 81 25527 1 . VAL 82 82 25527 1 . ASP 83 83 25527 1 . GLY 84 84 25527 1 . PRO 85 85 25527 1 . ARG 86 86 25527 1 . LYS 87 87 25527 1 . GLN 88 88 25527 1 . VAL 89 89 25527 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 25527 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $HSPB5-ACD . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . CRYAB 'Synonym:alphaB-Crystallin, Rosenthal Fiber component, Heat shock protein beta-5.' 25527 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 25527 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $HSPB5-ACD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . pET24a . . . 25527 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_HSPB5-ACD_1 _Sample.Sf_category sample _Sample.Sf_framecode HSPB5-ACD_1 _Sample.Entry_ID 25527 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 HSPB5-ACD '[U-100% 13C; U-100% 15N]' . . 1 $HSPB5-ACD . . 0.6 0.2 1.0 mM . . . . 25527 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25527 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25527 1 4 EDTA 'natural abundance' . . . . . . .1 . . mM . . . . 25527 1 5 PMSF 'natural abundance' . . . . . . 1 . . mM . . . . 25527 1 stop_ save_ save_HSPB5-ACD_2 _Sample.Sf_category sample _Sample.Sf_framecode HSPB5-ACD_2 _Sample.Entry_ID 25527 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 HSPB5-ACD '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $HSPB5-ACD . . 0.6 0.2 1.0 mM . . . . 25527 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25527 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25527 2 4 EDTA 'natural abundance' . . . . . . .1 . . mM . . . . 25527 2 5 PMSF 'natural abundance' . . . . . . 1 . . mM . . . . 25527 2 stop_ save_ save_HSPB5-ACD_3 _Sample.Sf_category sample _Sample.Sf_framecode HSPB5-ACD_3 _Sample.Entry_ID 25527 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'For measuring Residual Dipolar Coupling' _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 HSPB5-ACD '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $HSPB5-ACD . . 0.6 0.2 1.0 mM . . . . 25527 3 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25527 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25527 3 4 EDTA 'natural abundance' . . . . . . .1 . . mM . . . . 25527 3 5 PMSF 'natural abundance' . . . . . . 1 . . mM . . . . 25527 3 6 'Pf1 phage' 'natural abundance' . . . . . . 14 . . mg/mL . . . . 25527 3 stop_ save_ save_HSPB5-ACD_4 _Sample.Sf_category sample _Sample.Sf_framecode HSPB5-ACD_4 _Sample.Entry_ID 25527 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 HSPB5-ACD '[U-100% 13C; U-100% 15N]' . . 1 $HSPB5-ACD . . 1.0 . . mM . . . . 25527 4 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25527 4 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25527 4 4 EDTA 'natural abundance' . . . . . . .1 . . mM . . . . 25527 4 5 PMSF 'natural abundance' . . . . . . 1 . . mM . . . . 25527 4 stop_ save_ save_HSPB5-ACD_5 _Sample.Sf_category sample _Sample.Sf_framecode HSPB5-ACD_5 _Sample.Entry_ID 25527 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 HSPB5-ACD '[U-100% 13C; U-100% 15N; 50% 2H]' . . 1 $HSPB5-ACD . . 1.0 . . mM . . . . 25527 5 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25527 5 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25527 5 4 EDTA 'natural abundance' . . . . . . .1 . . mM . . . . 25527 5 5 PMSF 'natural abundance' . . . . . . 1 . . mM . . . . 25527 5 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 25527 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 25527 1 pH 7.5 . pH 25527 1 pressure 1 . atm 25527 1 temperature 295 . K 25527 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 25527 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 25527 2 pH 6.5 . pH 25527 2 pressure 1 . atm 25527 2 temperature 295 . K 25527 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25527 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25527 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25527 1 'peak picking' 25527 1 processing 25527 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 25527 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 25527 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25527 2 'data analysis' 25527 2 'peak picking' 25527 2 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 25527 _Software.ID 3 _Software.Name AutoAssign _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 25527 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25527 3 'peak picking' 25527 3 stop_ save_ save_CS-Rosetta _Software.Sf_category software _Software.Sf_framecode CS-Rosetta _Software.Entry_ID 25527 _Software.ID 4 _Software.Name CS-Rosetta _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Vernon, Baker and Bax' . . 25527 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25527 4 'peak picking' 25527 4 'structure solution' 25527 4 stop_ save_ save_RosettaOligomer _Software.Sf_category software _Software.Sf_framecode RosettaOligomer _Software.Entry_ID 25527 _Software.ID 5 _Software.Name RosettaOligomer _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(RosettaOligomer)-Sgourakis, Lange, DiMaio, Andre, Fitzkee, Rossi, Montelione, Bax, Baker' . . 25527 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25527 5 'peak picking' 25527 5 'structure solution' 25527 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25527 _Software.ID 6 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25527 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25527 6 'peak picking' 25527 6 refinement 25527 6 stop_ save_ save_GUARDD _Software.Sf_category software _Software.Sf_framecode GUARDD _Software.Entry_ID 25527 _Software.ID 7 _Software.Name GUARDD _Software.Version . _Software.Details 'To analyze relaxation dispersion data' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(GUARDD)-Kleckner, Foster' . . 25527 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25527 7 'data analysis' 25527 7 'peak picking' 25527 7 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 25527 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25527 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25527 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 25527 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 25527 _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 cryoprobe . . 25527 1 2 spectrometer_2 Bruker Avance . 600 cryoprobe . . 25527 1 3 spectrometer_3 Bruker Avance . 500 . . . 25527 1 4 spectrometer_4 Bruker Avance . 900 cryoprobe . . 25527 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 25527 _Experiment_list.ID 1 _Experiment_list.Details 'Solution structure was determined with NOEs and RDCs.' 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 $HSPB5-ACD_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25527 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $HSPB5-ACD_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25527 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $HSPB5-ACD_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25527 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $HSPB5-ACD_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25527 1 5 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 4 $HSPB5-ACD_4 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25527 1 6 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 4 $HSPB5-ACD_4 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25527 1 7 '3D HNCACB' no . . . . . . . . . . 2 $HSPB5-ACD_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25527 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $HSPB5-ACD_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25527 1 9 '3D HNCO' no . . . . . . . . . . 2 $HSPB5-ACD_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25527 1 10 '3D HNCA' no . . . . . . . . . . 2 $HSPB5-ACD_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25527 1 11 '3D HN(CO)CA' no . . . . . . . . . . 2 $HSPB5-ACD_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25527 1 12 '3D HN(COCA)CB' no . . . . . . . . . . 2 $HSPB5-ACD_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25527 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $HSPB5-ACD_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25527 1 14 '3D H(CCO)NH' no . . . . . . . . . . 5 $HSPB5-ACD_5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25527 1 15 '3D C(CO)NH' no . . . . . . . . . . 5 $HSPB5-ACD_5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25527 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_dss _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_dss _Chem_shift_reference.Entry_ID 25527 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'Chemical shifts were referenced with respect to DSS.' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25527 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 25527 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25527 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_HSPB5_ACD_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode HSPB5_ACD_chemical_shifts _Assigned_chem_shift_list.Entry_ID 25527 _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_dss _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 25527 1 7 '3D HNCACB' . . . 25527 1 9 '3D HNCO' . . . 25527 1 13 '3D HCCH-TOCSY' . . . 25527 1 14 '3D H(CCO)NH' . . . 25527 1 15 '3D C(CO)NH' . . . 25527 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 2 $NMRView . . 25527 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LEU HA H 1 4.47 0.01 . 1 . . . . 65 LEU HA . 25527 1 2 . 1 1 2 2 LEU HB2 H 1 1.82 0.01 . 2 . . . . 65 LEU HB2 . 25527 1 3 . 1 1 2 2 LEU HB3 H 1 1.74 0.01 . 2 . . . . 65 LEU HB3 . 25527 1 4 . 1 1 2 2 LEU HG H 1 1.57 0.01 . 1 . . . . 65 LEU HG . 25527 1 5 . 1 1 2 2 LEU HD11 H 1 0.94 0.01 . 2 . . . . 65 LEU HD11 . 25527 1 6 . 1 1 2 2 LEU HD12 H 1 0.94 0.01 . 2 . . . . 65 LEU HD12 . 25527 1 7 . 1 1 2 2 LEU HD13 H 1 0.94 0.01 . 2 . . . . 65 LEU HD13 . 25527 1 8 . 1 1 2 2 LEU HD21 H 1 0.88 0.01 . 2 . . . . 65 LEU HD21 . 25527 1 9 . 1 1 2 2 LEU HD22 H 1 0.88 0.01 . 2 . . . . 65 LEU HD22 . 25527 1 10 . 1 1 2 2 LEU HD23 H 1 0.88 0.01 . 2 . . . . 65 LEU HD23 . 25527 1 11 . 1 1 2 2 LEU C C 13 177.76 0.1 . 1 . . . . 65 LEU C . 25527 1 12 . 1 1 2 2 LEU CA C 13 55.73 0.1 . 1 . . . . 65 LEU CA . 25527 1 13 . 1 1 2 2 LEU CB C 13 41.88 0.1 . 1 . . . . 65 LEU CB . 25527 1 14 . 1 1 2 2 LEU CD1 C 13 24.20 0.1 . 2 . . . . 65 LEU CD1 . 25527 1 15 . 1 1 2 2 LEU CD2 C 13 23.04 0.1 . 2 . . . . 65 LEU CD2 . 25527 1 16 . 1 1 3 3 SER H H 1 8.49 0.01 . 1 . . . . 66 SER H . 25527 1 17 . 1 1 3 3 SER HA H 1 4.83 0.01 . 1 . . . . 66 SER HA . 25527 1 18 . 1 1 3 3 SER HB2 H 1 4.39 0.01 . 2 . . . . 66 SER HB2 . 25527 1 19 . 1 1 3 3 SER HB3 H 1 4.04 0.01 . 2 . . . . 66 SER HB3 . 25527 1 20 . 1 1 3 3 SER C C 13 174.50 0.1 . 1 . . . . 66 SER C . 25527 1 21 . 1 1 3 3 SER CA C 13 57.49 0.1 . 1 . . . . 66 SER CA . 25527 1 22 . 1 1 3 3 SER CB C 13 63.33 0.1 . 1 . . . . 66 SER CB . 25527 1 23 . 1 1 3 3 SER N N 15 116.81 0.2 . 1 . . . . 66 SER N . 25527 1 24 . 1 1 4 4 GLU H H 1 8.44 0.01 . 1 . . . . 67 GLU H . 25527 1 25 . 1 1 4 4 GLU HA H 1 4.52 0.01 . 1 . . . . 67 GLU HA . 25527 1 26 . 1 1 4 4 GLU HG2 H 1 2.22 0.01 . 1 . . . . 67 GLU HG2 . 25527 1 27 . 1 1 4 4 GLU HG3 H 1 2.22 0.01 . 1 . . . . 67 GLU HG3 . 25527 1 28 . 1 1 4 4 GLU C C 13 176.10 0.1 . 1 . . . . 67 GLU C . 25527 1 29 . 1 1 4 4 GLU CA C 13 56.86 0.1 . 1 . . . . 67 GLU CA . 25527 1 30 . 1 1 4 4 GLU CB C 13 29.95 0.1 . 1 . . . . 67 GLU CB . 25527 1 31 . 1 1 4 4 GLU CG C 13 36.00 0.1 . 1 . . . . 67 GLU CG . 25527 1 32 . 1 1 4 4 GLU N N 15 123.15 0.2 . 1 . . . . 67 GLU N . 25527 1 33 . 1 1 5 5 MET H H 1 8.21 0.01 . 1 . . . . 68 MET H . 25527 1 34 . 1 1 5 5 MET HA H 1 4.60 0.01 . 1 . . . . 68 MET HA . 25527 1 35 . 1 1 5 5 MET HB2 H 1 2.01 0.01 . 1 . . . . 68 MET HB2 . 25527 1 36 . 1 1 5 5 MET HB3 H 1 2.01 0.01 . 1 . . . . 68 MET HB3 . 25527 1 37 . 1 1 5 5 MET HG2 H 1 2.48 0.01 . 2 . . . . 68 MET HG2 . 25527 1 38 . 1 1 5 5 MET HG3 H 1 2.43 0.01 . 2 . . . . 68 MET HG3 . 25527 1 39 . 1 1 5 5 MET HE1 H 1 2.16 0.01 . 1 . . . . 68 MET HE1 . 25527 1 40 . 1 1 5 5 MET HE2 H 1 2.16 0.01 . 1 . . . . 68 MET HE2 . 25527 1 41 . 1 1 5 5 MET HE3 H 1 2.16 0.01 . 1 . . . . 68 MET HE3 . 25527 1 42 . 1 1 5 5 MET C C 13 175.69 0.1 . 1 . . . . 68 MET C . 25527 1 43 . 1 1 5 5 MET CA C 13 55.52 0.1 . 1 . . . . 68 MET CA . 25527 1 44 . 1 1 5 5 MET CB C 13 32.54 0.1 . 1 . . . . 68 MET CB . 25527 1 45 . 1 1 5 5 MET CG C 13 31.60 0.1 . 1 . . . . 68 MET CG . 25527 1 46 . 1 1 5 5 MET CE C 13 17.26 0.1 . 1 . . . . 68 MET CE . 25527 1 47 . 1 1 5 5 MET N N 15 121.08 0.2 . 1 . . . . 68 MET N . 25527 1 48 . 1 1 6 6 ARG H H 1 8.67 0.01 . 1 . . . . 69 ARG H . 25527 1 49 . 1 1 6 6 ARG HA H 1 4.46 0.01 . 1 . . . . 69 ARG HA . 25527 1 50 . 1 1 6 6 ARG HB2 H 1 2.41 0.01 . 2 . . . . 69 ARG HB2 . 25527 1 51 . 1 1 6 6 ARG HB3 H 1 2.27 0.01 . 2 . . . . 69 ARG HB3 . 25527 1 52 . 1 1 6 6 ARG HG2 H 1 1.95 0.01 . 1 . . . . 69 ARG HG2 . 25527 1 53 . 1 1 6 6 ARG HG3 H 1 1.95 0.01 . 1 . . . . 69 ARG HG3 . 25527 1 54 . 1 1 6 6 ARG HD2 H 1 3.10 0.01 . 1 . . . . 69 ARG HD2 . 25527 1 55 . 1 1 6 6 ARG HD3 H 1 3.10 0.01 . 1 . . . . 69 ARG HD3 . 25527 1 56 . 1 1 6 6 ARG C C 13 175.52 0.1 . 1 . . . . 69 ARG C . 25527 1 57 . 1 1 6 6 ARG CA C 13 56.20 0.1 . 1 . . . . 69 ARG CA . 25527 1 58 . 1 1 6 6 ARG CB C 13 30.57 0.1 . 1 . . . . 69 ARG CB . 25527 1 59 . 1 1 6 6 ARG CG C 13 26.60 0.1 . 1 . . . . 69 ARG CG . 25527 1 60 . 1 1 6 6 ARG CD C 13 43.08 0.1 . 1 . . . . 69 ARG CD . 25527 1 61 . 1 1 6 6 ARG N N 15 124.43 0.2 . 1 . . . . 69 ARG N . 25527 1 62 . 1 1 7 7 LEU H H 1 8.56 0.01 . 1 . . . . 70 LEU H . 25527 1 63 . 1 1 7 7 LEU HA H 1 4.33 0.01 . 1 . . . . 70 LEU HA . 25527 1 64 . 1 1 7 7 LEU HB2 H 1 1.80 0.01 . 2 . . . . 70 LEU HB2 . 25527 1 65 . 1 1 7 7 LEU HB3 H 1 1.61 0.01 . 2 . . . . 70 LEU HB3 . 25527 1 66 . 1 1 7 7 LEU HG H 1 1.66 0.01 . 1 . . . . 70 LEU HG . 25527 1 67 . 1 1 7 7 LEU HD11 H 1 0.95 0.01 . 2 . . . . 70 LEU HD11 . 25527 1 68 . 1 1 7 7 LEU HD12 H 1 0.95 0.01 . 2 . . . . 70 LEU HD12 . 25527 1 69 . 1 1 7 7 LEU HD13 H 1 0.95 0.01 . 2 . . . . 70 LEU HD13 . 25527 1 70 . 1 1 7 7 LEU HD21 H 1 0.91 0.01 . 2 . . . . 70 LEU HD21 . 25527 1 71 . 1 1 7 7 LEU HD22 H 1 0.91 0.01 . 2 . . . . 70 LEU HD22 . 25527 1 72 . 1 1 7 7 LEU HD23 H 1 0.91 0.01 . 2 . . . . 70 LEU HD23 . 25527 1 73 . 1 1 7 7 LEU C C 13 177.09 0.1 . 1 . . . . 70 LEU C . 25527 1 74 . 1 1 7 7 LEU CA C 13 54.63 0.1 . 1 . . . . 70 LEU CA . 25527 1 75 . 1 1 7 7 LEU CB C 13 41.74 0.1 . 1 . . . . 70 LEU CB . 25527 1 76 . 1 1 7 7 LEU CG C 13 26.82 0.1 . 1 . . . . 70 LEU CG . 25527 1 77 . 1 1 7 7 LEU CD1 C 13 24.17 0.1 . 2 . . . . 70 LEU CD1 . 25527 1 78 . 1 1 7 7 LEU CD2 C 13 23.12 0.1 . 2 . . . . 70 LEU CD2 . 25527 1 79 . 1 1 7 7 LEU N N 15 125.32 0.2 . 1 . . . . 70 LEU N . 25527 1 80 . 1 1 8 8 GLU H H 1 8.46 0.01 . 1 . . . . 71 GLU H . 25527 1 81 . 1 1 8 8 GLU HA H 1 4.43 0.01 . 1 . . . . 71 GLU HA . 25527 1 82 . 1 1 8 8 GLU HB2 H 1 2.01 0.01 . 1 . . . . 71 GLU HB2 . 25527 1 83 . 1 1 8 8 GLU HB3 H 1 2.01 0.01 . 1 . . . . 71 GLU HB3 . 25527 1 84 . 1 1 8 8 GLU HG2 H 1 2.19 0.01 . 1 . . . . 71 GLU HG2 . 25527 1 85 . 1 1 8 8 GLU HG3 H 1 2.19 0.01 . 1 . . . . 71 GLU HG3 . 25527 1 86 . 1 1 8 8 GLU C C 13 176.66 0.1 . 1 . . . . 71 GLU C . 25527 1 87 . 1 1 8 8 GLU CA C 13 55.93 0.1 . 1 . . . . 71 GLU CA . 25527 1 88 . 1 1 8 8 GLU CB C 13 30.15 0.1 . 1 . . . . 71 GLU CB . 25527 1 89 . 1 1 8 8 GLU CG C 13 35.94 0.1 . 1 . . . . 71 GLU CG . 25527 1 90 . 1 1 8 8 GLU N N 15 122.78 0.2 . 1 . . . . 71 GLU N . 25527 1 91 . 1 1 9 9 LYS H H 1 8.61 0.01 . 1 . . . . 72 LYS H . 25527 1 92 . 1 1 9 9 LYS HA H 1 4.14 0.01 . 1 . . . . 72 LYS HA . 25527 1 93 . 1 1 9 9 LYS HB2 H 1 1.80 0.01 . 1 . . . . 72 LYS HB2 . 25527 1 94 . 1 1 9 9 LYS HB3 H 1 1.80 0.01 . 1 . . . . 72 LYS HB3 . 25527 1 95 . 1 1 9 9 LYS HG2 H 1 1.44 0.01 . 1 . . . . 72 LYS HG2 . 25527 1 96 . 1 1 9 9 LYS HG3 H 1 1.44 0.01 . 1 . . . . 72 LYS HG3 . 25527 1 97 . 1 1 9 9 LYS C C 13 176.67 0.1 . 1 . . . . 72 LYS C . 25527 1 98 . 1 1 9 9 LYS CA C 13 57.25 0.1 . 1 . . . . 72 LYS CA . 25527 1 99 . 1 1 9 9 LYS CB C 13 32.30 0.1 . 1 . . . . 72 LYS CB . 25527 1 100 . 1 1 9 9 LYS CG C 13 23.91 0.1 . 1 . . . . 72 LYS CG . 25527 1 101 . 1 1 9 9 LYS CD C 13 28.52 0.1 . 1 . . . . 72 LYS CD . 25527 1 102 . 1 1 9 9 LYS CE C 13 42.04 0.1 . 1 . . . . 72 LYS CE . 25527 1 103 . 1 1 9 9 LYS N N 15 121.10 0.2 . 1 . . . . 72 LYS N . 25527 1 104 . 1 1 10 10 ASP H H 1 8.34 0.01 . 1 . . . . 73 ASP H . 25527 1 105 . 1 1 10 10 ASP HA H 1 4.64 0.01 . 1 . . . . 73 ASP HA . 25527 1 106 . 1 1 10 10 ASP HB2 H 1 2.71 0.01 . 1 . . . . 73 ASP HB2 . 25527 1 107 . 1 1 10 10 ASP HB3 H 1 2.71 0.01 . 1 . . . . 73 ASP HB3 . 25527 1 108 . 1 1 10 10 ASP C C 13 172.35 0.1 . 1 . . . . 73 ASP C . 25527 1 109 . 1 1 10 10 ASP CA C 13 57.14 0.1 . 1 . . . . 73 ASP CA . 25527 1 110 . 1 1 10 10 ASP CB C 13 41.49 0.1 . 1 . . . . 73 ASP CB . 25527 1 111 . 1 1 10 10 ASP N N 15 115.63 0.2 . 1 . . . . 73 ASP N . 25527 1 112 . 1 1 11 11 ARG H H 1 7.70 0.01 . 1 . . . . 74 ARG H . 25527 1 113 . 1 1 11 11 ARG HA H 1 4.15 0.01 . 1 . . . . 74 ARG HA . 25527 1 114 . 1 1 11 11 ARG HB2 H 1 2.16 0.01 . 2 . . . . 74 ARG HB2 . 25527 1 115 . 1 1 11 11 ARG HB3 H 1 2.20 0.01 . 2 . . . . 74 ARG HB3 . 25527 1 116 . 1 1 11 11 ARG HG2 H 1 1.71 0.01 . 2 . . . . 74 ARG HG2 . 25527 1 117 . 1 1 11 11 ARG HG3 H 1 1.45 0.01 . 2 . . . . 74 ARG HG3 . 25527 1 118 . 1 1 11 11 ARG HD2 H 1 3.08 0.01 . 1 . . . . 74 ARG HD2 . 25527 1 119 . 1 1 11 11 ARG HD3 H 1 3.08 0.01 . 1 . . . . 74 ARG HD3 . 25527 1 120 . 1 1 11 11 ARG C C 13 174.91 0.1 . 1 . . . . 74 ARG C . 25527 1 121 . 1 1 11 11 ARG CA C 13 58.33 0.1 . 1 . . . . 74 ARG CA . 25527 1 122 . 1 1 11 11 ARG CB C 13 31.74 0.1 . 1 . . . . 74 ARG CB . 25527 1 123 . 1 1 11 11 ARG N N 15 118.89 0.2 . 1 . . . . 74 ARG N . 25527 1 124 . 1 1 12 12 PHE H H 1 8.86 0.01 . 1 . . . . 75 PHE H . 25527 1 125 . 1 1 12 12 PHE HA H 1 4.91 0.01 . 1 . . . . 75 PHE HA . 25527 1 126 . 1 1 12 12 PHE HB2 H 1 3.22 0.01 . 2 . . . . 75 PHE HB2 . 25527 1 127 . 1 1 12 12 PHE HB3 H 1 3.05 0.01 . 2 . . . . 75 PHE HB3 . 25527 1 128 . 1 1 12 12 PHE HD1 H 1 7.32 0.01 . 1 . . . . 75 PHE HD1 . 25527 1 129 . 1 1 12 12 PHE HD2 H 1 7.32 0.01 . 1 . . . . 75 PHE HD2 . 25527 1 130 . 1 1 12 12 PHE HE1 H 1 7.41 0.01 . 1 . . . . 75 PHE HE1 . 25527 1 131 . 1 1 12 12 PHE HE2 H 1 7.41 0.01 . 1 . . . . 75 PHE HE2 . 25527 1 132 . 1 1 12 12 PHE C C 13 173.25 0.1 . 1 . . . . 75 PHE C . 25527 1 133 . 1 1 12 12 PHE CA C 13 57.33 0.1 . 1 . . . . 75 PHE CA . 25527 1 134 . 1 1 12 12 PHE CB C 13 39.73 0.1 . 1 . . . . 75 PHE CB . 25527 1 135 . 1 1 12 12 PHE CD1 C 13 131.60 0.1 . 1 . . . . 75 PHE CD1 . 25527 1 136 . 1 1 12 12 PHE CD2 C 13 131.60 0.1 . 1 . . . . 75 PHE CD2 . 25527 1 137 . 1 1 12 12 PHE CZ C 13 130.60 0.1 . 1 . . . . 75 PHE CZ . 25527 1 138 . 1 1 12 12 PHE N N 15 123.55 0.2 . 1 . . . . 75 PHE N . 25527 1 139 . 1 1 13 13 SER H H 1 8.00 0.01 . 1 . . . . 76 SER H . 25527 1 140 . 1 1 13 13 SER HA H 1 5.03 0.01 . 1 . . . . 76 SER HA . 25527 1 141 . 1 1 13 13 SER HB2 H 1 3.54 0.01 . 2 . . . . 76 SER HB2 . 25527 1 142 . 1 1 13 13 SER HB3 H 1 3.38 0.01 . 2 . . . . 76 SER HB3 . 25527 1 143 . 1 1 13 13 SER C C 13 172.97 0.1 . 1 . . . . 76 SER C . 25527 1 144 . 1 1 13 13 SER CA C 13 57.06 0.1 . 1 . . . . 76 SER CA . 25527 1 145 . 1 1 13 13 SER CB C 13 65.08 0.1 . 1 . . . . 76 SER CB . 25527 1 146 . 1 1 13 13 SER N N 15 119.90 0.2 . 1 . . . . 76 SER N . 25527 1 147 . 1 1 14 14 VAL H H 1 8.55 0.01 . 1 . . . . 77 VAL H . 25527 1 148 . 1 1 14 14 VAL HA H 1 4.40 0.01 . 1 . . . . 77 VAL HA . 25527 1 149 . 1 1 14 14 VAL HB H 1 1.52 0.01 . 1 . . . . 77 VAL HB . 25527 1 150 . 1 1 14 14 VAL HG11 H 1 0.28 0.01 . 2 . . . . 77 VAL HG11 . 25527 1 151 . 1 1 14 14 VAL HG12 H 1 0.28 0.01 . 2 . . . . 77 VAL HG12 . 25527 1 152 . 1 1 14 14 VAL HG13 H 1 0.28 0.01 . 2 . . . . 77 VAL HG13 . 25527 1 153 . 1 1 14 14 VAL HG21 H 1 0.08 0.01 . 2 . . . . 77 VAL HG21 . 25527 1 154 . 1 1 14 14 VAL HG22 H 1 0.08 0.01 . 2 . . . . 77 VAL HG22 . 25527 1 155 . 1 1 14 14 VAL HG23 H 1 0.08 0.01 . 2 . . . . 77 VAL HG23 . 25527 1 156 . 1 1 14 14 VAL C C 13 173.56 0.1 . 1 . . . . 77 VAL C . 25527 1 157 . 1 1 14 14 VAL CA C 13 60.00 0.1 . 1 . . . . 77 VAL CA . 25527 1 158 . 1 1 14 14 VAL CB C 13 34.34 0.1 . 1 . . . . 77 VAL CB . 25527 1 159 . 1 1 14 14 VAL CG1 C 13 20.41 0.1 . 2 . . . . 77 VAL CG1 . 25527 1 160 . 1 1 14 14 VAL CG2 C 13 18.77 0.1 . 2 . . . . 77 VAL CG2 . 25527 1 161 . 1 1 14 14 VAL N N 15 122.00 0.2 . 1 . . . . 77 VAL N . 25527 1 162 . 1 1 15 15 ASN H H 1 8.33 0.01 . 1 . . . . 78 ASN H . 25527 1 163 . 1 1 15 15 ASN HA H 1 5.66 0.01 . 1 . . . . 78 ASN HA . 25527 1 164 . 1 1 15 15 ASN HB2 H 1 2.45 0.01 . 2 . . . . 78 ASN HB2 . 25527 1 165 . 1 1 15 15 ASN HB3 H 1 2.29 0.01 . 2 . . . . 78 ASN HB3 . 25527 1 166 . 1 1 15 15 ASN HD21 H 1 7.07 0.01 . 1 . . . . 78 ASN HD21 . 25527 1 167 . 1 1 15 15 ASN HD22 H 1 6.79 0.01 . 1 . . . . 78 ASN HD22 . 25527 1 168 . 1 1 15 15 ASN C C 13 173.76 0.1 . 1 . . . . 78 ASN C . 25527 1 169 . 1 1 15 15 ASN CA C 13 51.82 0.1 . 1 . . . . 78 ASN CA . 25527 1 170 . 1 1 15 15 ASN CB C 13 41.72 0.1 . 1 . . . . 78 ASN CB . 25527 1 171 . 1 1 15 15 ASN N N 15 121.09 0.2 . 1 . . . . 78 ASN N . 25527 1 172 . 1 1 15 15 ASN ND2 N 15 114.05 0.2 . 1 . . . . 78 ASN ND2 . 25527 1 173 . 1 1 16 16 LEU H H 1 9.28 0.01 . 1 . . . . 79 LEU H . 25527 1 174 . 1 1 16 16 LEU HA H 1 4.63 0.01 . 1 . . . . 79 LEU HA . 25527 1 175 . 1 1 16 16 LEU HB2 H 1 1.80 0.01 . 1 . . . . 79 LEU HB2 . 25527 1 176 . 1 1 16 16 LEU HB3 H 1 1.80 0.01 . 1 . . . . 79 LEU HB3 . 25527 1 177 . 1 1 16 16 LEU HG H 1 1.52 0.01 . 1 . . . . 79 LEU HG . 25527 1 178 . 1 1 16 16 LEU HD11 H 1 0.82 0.01 . 2 . . . . 79 LEU HD11 . 25527 1 179 . 1 1 16 16 LEU HD12 H 1 0.82 0.01 . 2 . . . . 79 LEU HD12 . 25527 1 180 . 1 1 16 16 LEU HD13 H 1 0.82 0.01 . 2 . . . . 79 LEU HD13 . 25527 1 181 . 1 1 16 16 LEU HD21 H 1 0.66 0.01 . 2 . . . . 79 LEU HD21 . 25527 1 182 . 1 1 16 16 LEU HD22 H 1 0.66 0.01 . 2 . . . . 79 LEU HD22 . 25527 1 183 . 1 1 16 16 LEU HD23 H 1 0.66 0.01 . 2 . . . . 79 LEU HD23 . 25527 1 184 . 1 1 16 16 LEU C C 13 174.58 0.1 . 1 . . . . 79 LEU C . 25527 1 185 . 1 1 16 16 LEU CA C 13 54.61 0.1 . 1 . . . . 79 LEU CA . 25527 1 186 . 1 1 16 16 LEU CB C 13 45.10 0.1 . 1 . . . . 79 LEU CB . 25527 1 187 . 1 1 16 16 LEU N N 15 123.17 0.2 . 1 . . . . 79 LEU N . 25527 1 188 . 1 1 17 17 ASP H H 1 8.56 0.01 . 1 . . . . 80 ASP H . 25527 1 189 . 1 1 17 17 ASP HA H 1 4.65 0.01 . 1 . . . . 80 ASP HA . 25527 1 190 . 1 1 17 17 ASP HB2 H 1 2.80 0.01 . 2 . . . . 80 ASP HB2 . 25527 1 191 . 1 1 17 17 ASP HB3 H 1 2.58 0.01 . 2 . . . . 80 ASP HB3 . 25527 1 192 . 1 1 17 17 ASP CA C 13 54.71 0.1 . 1 . . . . 80 ASP CA . 25527 1 193 . 1 1 17 17 ASP CB C 13 41.12 0.1 . 1 . . . . 80 ASP CB . 25527 1 194 . 1 1 17 17 ASP N N 15 124.85 0.2 . 1 . . . . 80 ASP N . 25527 1 195 . 1 1 18 18 VAL H H 1 7.85 0.01 . 1 . . . . 81 VAL H . 25527 1 196 . 1 1 18 18 VAL HA H 1 4.20 0.01 . 1 . . . . 81 VAL HA . 25527 1 197 . 1 1 18 18 VAL HB H 1 1.70 0.01 . 1 . . . . 81 VAL HB . 25527 1 198 . 1 1 18 18 VAL HG11 H 1 0.78 0.01 . 2 . . . . 81 VAL HG11 . 25527 1 199 . 1 1 18 18 VAL HG12 H 1 0.78 0.01 . 2 . . . . 81 VAL HG12 . 25527 1 200 . 1 1 18 18 VAL HG13 H 1 0.78 0.01 . 2 . . . . 81 VAL HG13 . 25527 1 201 . 1 1 18 18 VAL HG21 H 1 0.69 0.01 . 2 . . . . 81 VAL HG21 . 25527 1 202 . 1 1 18 18 VAL HG22 H 1 0.69 0.01 . 2 . . . . 81 VAL HG22 . 25527 1 203 . 1 1 18 18 VAL HG23 H 1 0.69 0.01 . 2 . . . . 81 VAL HG23 . 25527 1 204 . 1 1 18 18 VAL CA C 13 58.90 0.1 . 1 . . . . 81 VAL CA . 25527 1 205 . 1 1 18 18 VAL CB C 13 31.40 0.1 . 1 . . . . 81 VAL CB . 25527 1 206 . 1 1 18 18 VAL CG1 C 13 21.71 0.1 . 2 . . . . 81 VAL CG1 . 25527 1 207 . 1 1 18 18 VAL CG2 C 13 20.81 0.1 . 2 . . . . 81 VAL CG2 . 25527 1 208 . 1 1 18 18 VAL N N 15 120.15 0.2 . 1 . . . . 81 VAL N . 25527 1 209 . 1 1 19 19 LYS H H 1 8.78 0.01 . 1 . . . . 82 LYS H . 25527 1 210 . 1 1 19 19 LYS HA H 1 4.48 0.01 . 1 . . . . 82 LYS HA . 25527 1 211 . 1 1 19 19 LYS HG2 H 1 1.25 0.01 . 1 . . . . 82 LYS HG2 . 25527 1 212 . 1 1 19 19 LYS HG3 H 1 1.25 0.01 . 1 . . . . 82 LYS HG3 . 25527 1 213 . 1 1 19 19 LYS HD2 H 1 1.53 0.01 . 1 . . . . 82 LYS HD2 . 25527 1 214 . 1 1 19 19 LYS HD3 H 1 1.53 0.01 . 1 . . . . 82 LYS HD3 . 25527 1 215 . 1 1 19 19 LYS HE2 H 1 2.79 0.01 . 1 . . . . 82 LYS HE2 . 25527 1 216 . 1 1 19 19 LYS HE3 H 1 2.79 0.01 . 1 . . . . 82 LYS HE3 . 25527 1 217 . 1 1 19 19 LYS N N 15 122.50 0.2 . 1 . . . . 82 LYS N . 25527 1 218 . 1 1 20 20 HIS H H 1 7.97 0.01 . 1 . . . . 83 HIS H . 25527 1 219 . 1 1 20 20 HIS HA H 1 4.43 0.01 . 1 . . . . 83 HIS HA . 25527 1 220 . 1 1 20 20 HIS HB2 H 1 2.91 0.01 . 2 . . . . 83 HIS HB2 . 25527 1 221 . 1 1 20 20 HIS HB3 H 1 2.51 0.01 . 2 . . . . 83 HIS HB3 . 25527 1 222 . 1 1 20 20 HIS HD2 H 1 6.93 0.01 . 1 . . . . 83 HIS HD2 . 25527 1 223 . 1 1 20 20 HIS HE1 H 1 7.71 0.01 . 1 . . . . 83 HIS HE1 . 25527 1 224 . 1 1 20 20 HIS CA C 13 56.40 0.1 . 1 . . . . 83 HIS CA . 25527 1 225 . 1 1 20 20 HIS CB C 13 30.50 0.1 . 1 . . . . 83 HIS CB . 25527 1 226 . 1 1 20 20 HIS CD2 C 13 118.70 0.1 . 1 . . . . 83 HIS CD2 . 25527 1 227 . 1 1 20 20 HIS CE1 C 13 138.50 0.1 . 1 . . . . 83 HIS CE1 . 25527 1 228 . 1 1 20 20 HIS N N 15 115.13 0.2 . 1 . . . . 83 HIS N . 25527 1 229 . 1 1 20 20 HIS ND1 N 15 230.20 0.2 . 1 . . . . 83 HIS ND1 . 25527 1 230 . 1 1 20 20 HIS NE2 N 15 176.80 0.2 . 1 . . . . 83 HIS NE2 . 25527 1 231 . 1 1 21 21 PHE H H 1 8.28 0.01 . 1 . . . . 84 PHE H . 25527 1 232 . 1 1 21 21 PHE HA H 1 4.73 0.01 . 1 . . . . 84 PHE HA . 25527 1 233 . 1 1 21 21 PHE HB2 H 1 3.17 0.01 . 2 . . . . 84 PHE HB2 . 25527 1 234 . 1 1 21 21 PHE HB3 H 1 3.02 0.01 . 2 . . . . 84 PHE HB3 . 25527 1 235 . 1 1 21 21 PHE HD1 H 1 7.44 0.01 . 1 . . . . 84 PHE HD1 . 25527 1 236 . 1 1 21 21 PHE HD2 H 1 7.44 0.01 . 1 . . . . 84 PHE HD2 . 25527 1 237 . 1 1 21 21 PHE HE1 H 1 7.26 0.01 . 1 . . . . 84 PHE HE1 . 25527 1 238 . 1 1 21 21 PHE HE2 H 1 7.26 0.01 . 1 . . . . 84 PHE HE2 . 25527 1 239 . 1 1 21 21 PHE C C 13 174.50 0.1 . 1 . . . . 84 PHE C . 25527 1 240 . 1 1 21 21 PHE CA C 13 57.85 0.1 . 1 . . . . 84 PHE CA . 25527 1 241 . 1 1 21 21 PHE CB C 13 41.58 0.1 . 1 . . . . 84 PHE CB . 25527 1 242 . 1 1 21 21 PHE CD1 C 13 131.46 0.1 . 1 . . . . 84 PHE CD1 . 25527 1 243 . 1 1 21 21 PHE CD2 C 13 131.46 0.1 . 1 . . . . 84 PHE CD2 . 25527 1 244 . 1 1 21 21 PHE N N 15 117.50 0.2 . 1 . . . . 84 PHE N . 25527 1 245 . 1 1 22 22 SER H H 1 9.46 0.01 . 1 . . . . 85 SER H . 25527 1 246 . 1 1 22 22 SER HA H 1 4.89 0.01 . 1 . . . . 85 SER HA . 25527 1 247 . 1 1 22 22 SER HB2 H 1 4.08 0.01 . 2 . . . . 85 SER HB2 . 25527 1 248 . 1 1 22 22 SER HB3 H 1 3.93 0.01 . 2 . . . . 85 SER HB3 . 25527 1 249 . 1 1 22 22 SER CA C 13 57.22 0.1 . 1 . . . . 85 SER CA . 25527 1 250 . 1 1 22 22 SER CB C 13 62.81 0.1 . 1 . . . . 85 SER CB . 25527 1 251 . 1 1 22 22 SER N N 15 121.02 0.2 . 1 . . . . 85 SER N . 25527 1 252 . 1 1 23 23 PRO HA H 1 4.71 0.01 . 1 . . . . 86 PRO HA . 25527 1 253 . 1 1 23 23 PRO HB2 H 1 2.92 0.01 . 2 . . . . 86 PRO HB2 . 25527 1 254 . 1 1 23 23 PRO HB3 H 1 2.70 0.01 . 2 . . . . 86 PRO HB3 . 25527 1 255 . 1 1 23 23 PRO HG2 H 1 1.99 0.01 . 1 . . . . 86 PRO HG2 . 25527 1 256 . 1 1 23 23 PRO HG3 H 1 1.99 0.01 . 1 . . . . 86 PRO HG3 . 25527 1 257 . 1 1 23 23 PRO HD2 H 1 3.94 0.01 . 2 . . . . 86 PRO HD2 . 25527 1 258 . 1 1 23 23 PRO HD3 H 1 3.70 0.01 . 2 . . . . 86 PRO HD3 . 25527 1 259 . 1 1 23 23 PRO C C 13 178.82 0.1 . 1 . . . . 86 PRO C . 25527 1 260 . 1 1 23 23 PRO CA C 13 57.72 0.1 . 1 . . . . 86 PRO CA . 25527 1 261 . 1 1 23 23 PRO CB C 13 31.25 0.1 . 1 . . . . 86 PRO CB . 25527 1 262 . 1 1 23 23 PRO CG C 13 27.42 0.1 . 1 . . . . 86 PRO CG . 25527 1 263 . 1 1 23 23 PRO CD C 13 51.26 0.1 . 1 . . . . 86 PRO CD . 25527 1 264 . 1 1 24 24 GLU H H 1 8.60 0.01 . 1 . . . . 87 GLU H . 25527 1 265 . 1 1 24 24 GLU HA H 1 4.35 0.01 . 1 . . . . 87 GLU HA . 25527 1 266 . 1 1 24 24 GLU HB2 H 1 2.01 0.01 . 1 . . . . 87 GLU HB2 . 25527 1 267 . 1 1 24 24 GLU HB3 H 1 2.01 0.01 . 1 . . . . 87 GLU HB3 . 25527 1 268 . 1 1 24 24 GLU HG2 H 1 2.37 0.01 . 1 . . . . 87 GLU HG2 . 25527 1 269 . 1 1 24 24 GLU HG3 H 1 2.37 0.01 . 1 . . . . 87 GLU HG3 . 25527 1 270 . 1 1 24 24 GLU C C 13 177.53 0.1 . 1 . . . . 87 GLU C . 25527 1 271 . 1 1 24 24 GLU CA C 13 58.37 0.1 . 1 . . . . 87 GLU CA . 25527 1 272 . 1 1 24 24 GLU CB C 13 28.27 0.1 . 1 . . . . 87 GLU CB . 25527 1 273 . 1 1 24 24 GLU CG C 13 36.42 0.1 . 1 . . . . 87 GLU CG . 25527 1 274 . 1 1 24 24 GLU N N 15 112.89 0.2 . 1 . . . . 87 GLU N . 25527 1 275 . 1 1 25 25 GLU H H 1 8.11 0.01 . 1 . . . . 88 GLU H . 25527 1 276 . 1 1 25 25 GLU HA H 1 4.42 0.01 . 1 . . . . 88 GLU HA . 25527 1 277 . 1 1 25 25 GLU HB2 H 1 2.19 0.01 . 1 . . . . 88 GLU HB2 . 25527 1 278 . 1 1 25 25 GLU HB3 H 1 2.19 0.01 . 1 . . . . 88 GLU HB3 . 25527 1 279 . 1 1 25 25 GLU HG2 H 1 2.64 0.01 . 1 . . . . 88 GLU HG2 . 25527 1 280 . 1 1 25 25 GLU HG3 H 1 2.64 0.01 . 1 . . . . 88 GLU HG3 . 25527 1 281 . 1 1 25 25 GLU C C 13 174.53 0.1 . 1 . . . . 88 GLU C . 25527 1 282 . 1 1 25 25 GLU CA C 13 55.87 0.1 . 1 . . . . 88 GLU CA . 25527 1 283 . 1 1 25 25 GLU CB C 13 29.98 0.1 . 1 . . . . 88 GLU CB . 25527 1 284 . 1 1 25 25 GLU CG C 13 37.09 0.1 . 1 . . . . 88 GLU CG . 25527 1 285 . 1 1 25 25 GLU N N 15 120.85 0.2 . 1 . . . . 88 GLU N . 25527 1 286 . 1 1 26 26 LEU H H 1 7.19 0.01 . 1 . . . . 89 LEU H . 25527 1 287 . 1 1 26 26 LEU HA H 1 5.16 0.01 . 1 . . . . 89 LEU HA . 25527 1 288 . 1 1 26 26 LEU HB2 H 1 1.72 0.01 . 1 . . . . 89 LEU HB2 . 25527 1 289 . 1 1 26 26 LEU HB3 H 1 1.72 0.01 . 1 . . . . 89 LEU HB3 . 25527 1 290 . 1 1 26 26 LEU HG H 1 1.17 0.01 . 1 . . . . 89 LEU HG . 25527 1 291 . 1 1 26 26 LEU HD11 H 1 0.84 0.01 . 2 . . . . 89 LEU HD11 . 25527 1 292 . 1 1 26 26 LEU HD12 H 1 0.84 0.01 . 2 . . . . 89 LEU HD12 . 25527 1 293 . 1 1 26 26 LEU HD13 H 1 0.84 0.01 . 2 . . . . 89 LEU HD13 . 25527 1 294 . 1 1 26 26 LEU HD21 H 1 0.67 0.01 . 2 . . . . 89 LEU HD21 . 25527 1 295 . 1 1 26 26 LEU HD22 H 1 0.67 0.01 . 2 . . . . 89 LEU HD22 . 25527 1 296 . 1 1 26 26 LEU HD23 H 1 0.67 0.01 . 2 . . . . 89 LEU HD23 . 25527 1 297 . 1 1 26 26 LEU C C 13 175.76 0.1 . 1 . . . . 89 LEU C . 25527 1 298 . 1 1 26 26 LEU CA C 13 53.40 0.1 . 1 . . . . 89 LEU CA . 25527 1 299 . 1 1 26 26 LEU CB C 13 45.74 0.1 . 1 . . . . 89 LEU CB . 25527 1 300 . 1 1 26 26 LEU CG C 13 25.62 0.1 . 1 . . . . 89 LEU CG . 25527 1 301 . 1 1 26 26 LEU CD1 C 13 23.86 0.1 . 2 . . . . 89 LEU CD1 . 25527 1 302 . 1 1 26 26 LEU CD2 C 13 23.45 0.1 . 2 . . . . 89 LEU CD2 . 25527 1 303 . 1 1 26 26 LEU N N 15 120.35 0.2 . 1 . . . . 89 LEU N . 25527 1 304 . 1 1 27 27 LYS H H 1 8.78 0.01 . 1 . . . . 90 LYS H . 25527 1 305 . 1 1 27 27 LYS HA H 1 4.67 0.01 . 1 . . . . 90 LYS HA . 25527 1 306 . 1 1 27 27 LYS HB2 H 1 1.83 0.01 . 1 . . . . 90 LYS HB2 . 25527 1 307 . 1 1 27 27 LYS HB3 H 1 1.83 0.01 . 1 . . . . 90 LYS HB3 . 25527 1 308 . 1 1 27 27 LYS HG2 H 1 1.39 0.01 . 1 . . . . 90 LYS HG2 . 25527 1 309 . 1 1 27 27 LYS HG3 H 1 1.39 0.01 . 1 . . . . 90 LYS HG3 . 25527 1 310 . 1 1 27 27 LYS HE2 H 1 2.92 0.01 . 1 . . . . 90 LYS HE2 . 25527 1 311 . 1 1 27 27 LYS HE3 H 1 2.92 0.01 . 1 . . . . 90 LYS HE3 . 25527 1 312 . 1 1 27 27 LYS C C 13 174.95 0.1 . 1 . . . . 90 LYS C . 25527 1 313 . 1 1 27 27 LYS CA C 13 54.80 0.1 . 1 . . . . 90 LYS CA . 25527 1 314 . 1 1 27 27 LYS CB C 13 35.29 0.1 . 1 . . . . 90 LYS CB . 25527 1 315 . 1 1 27 27 LYS CG C 13 23.95 0.1 . 1 . . . . 90 LYS CG . 25527 1 316 . 1 1 27 27 LYS CD C 13 28.14 0.1 . 1 . . . . 90 LYS CD . 25527 1 317 . 1 1 27 27 LYS CE C 13 41.99 0.1 . 1 . . . . 90 LYS CE . 25527 1 318 . 1 1 27 27 LYS N N 15 121.62 0.2 . 1 . . . . 90 LYS N . 25527 1 319 . 1 1 28 28 VAL H H 1 8.64 0.01 . 1 . . . . 91 VAL H . 25527 1 320 . 1 1 28 28 VAL HA H 1 4.96 0.01 . 1 . . . . 91 VAL HA . 25527 1 321 . 1 1 28 28 VAL HB H 1 1.94 0.01 . 1 . . . . 91 VAL HB . 25527 1 322 . 1 1 28 28 VAL HG11 H 1 0.93 0.01 . 2 . . . . 91 VAL HG11 . 25527 1 323 . 1 1 28 28 VAL HG12 H 1 0.93 0.01 . 2 . . . . 91 VAL HG12 . 25527 1 324 . 1 1 28 28 VAL HG13 H 1 0.93 0.01 . 2 . . . . 91 VAL HG13 . 25527 1 325 . 1 1 28 28 VAL HG21 H 1 0.89 0.01 . 2 . . . . 91 VAL HG21 . 25527 1 326 . 1 1 28 28 VAL HG22 H 1 0.89 0.01 . 2 . . . . 91 VAL HG22 . 25527 1 327 . 1 1 28 28 VAL HG23 H 1 0.89 0.01 . 2 . . . . 91 VAL HG23 . 25527 1 328 . 1 1 28 28 VAL C C 13 175.50 0.1 . 1 . . . . 91 VAL C . 25527 1 329 . 1 1 28 28 VAL CA C 13 61.23 0.1 . 1 . . . . 91 VAL CA . 25527 1 330 . 1 1 28 28 VAL CB C 13 33.09 0.1 . 1 . . . . 91 VAL CB . 25527 1 331 . 1 1 28 28 VAL CG1 C 13 21.20 0.1 . 2 . . . . 91 VAL CG1 . 25527 1 332 . 1 1 28 28 VAL CG2 C 13 20.29 0.1 . 2 . . . . 91 VAL CG2 . 25527 1 333 . 1 1 28 28 VAL N N 15 125.23 0.2 . 1 . . . . 91 VAL N . 25527 1 334 . 1 1 29 29 LYS H H 1 9.39 0.01 . 1 . . . . 92 LYS H . 25527 1 335 . 1 1 29 29 LYS HA H 1 4.76 0.01 . 1 . . . . 92 LYS HA . 25527 1 336 . 1 1 29 29 LYS HB2 H 1 1.83 0.01 . 1 . . . . 92 LYS HB2 . 25527 1 337 . 1 1 29 29 LYS HB3 H 1 1.83 0.01 . 1 . . . . 92 LYS HB3 . 25527 1 338 . 1 1 29 29 LYS HG2 H 1 1.35 0.01 . 1 . . . . 92 LYS HG2 . 25527 1 339 . 1 1 29 29 LYS HG3 H 1 1.35 0.01 . 1 . . . . 92 LYS HG3 . 25527 1 340 . 1 1 29 29 LYS HD2 H 1 1.69 0.01 . 1 . . . . 92 LYS HD2 . 25527 1 341 . 1 1 29 29 LYS HD3 H 1 1.69 0.01 . 1 . . . . 92 LYS HD3 . 25527 1 342 . 1 1 29 29 LYS HE2 H 1 2.90 0.01 . 1 . . . . 92 LYS HE2 . 25527 1 343 . 1 1 29 29 LYS HE3 H 1 2.90 0.01 . 1 . . . . 92 LYS HE3 . 25527 1 344 . 1 1 29 29 LYS C C 13 174.03 0.1 . 1 . . . . 92 LYS C . 25527 1 345 . 1 1 29 29 LYS CA C 13 54.99 0.1 . 1 . . . . 92 LYS CA . 25527 1 346 . 1 1 29 29 LYS CB C 13 35.69 0.1 . 1 . . . . 92 LYS CB . 25527 1 347 . 1 1 29 29 LYS CG C 13 23.99 0.1 . 1 . . . . 92 LYS CG . 25527 1 348 . 1 1 29 29 LYS CD C 13 28.75 0.1 . 1 . . . . 92 LYS CD . 25527 1 349 . 1 1 29 29 LYS CE C 13 41.81 0.1 . 1 . . . . 92 LYS CE . 25527 1 350 . 1 1 29 29 LYS N N 15 128.14 0.2 . 1 . . . . 92 LYS N . 25527 1 351 . 1 1 30 30 VAL H H 1 8.75 0.01 . 1 . . . . 93 VAL H . 25527 1 352 . 1 1 30 30 VAL HA H 1 4.47 0.01 . 1 . . . . 93 VAL HA . 25527 1 353 . 1 1 30 30 VAL HB H 1 2.06 0.01 . 1 . . . . 93 VAL HB . 25527 1 354 . 1 1 30 30 VAL HG11 H 1 0.95 0.01 . 2 . . . . 93 VAL HG11 . 25527 1 355 . 1 1 30 30 VAL HG12 H 1 0.95 0.01 . 2 . . . . 93 VAL HG12 . 25527 1 356 . 1 1 30 30 VAL HG13 H 1 0.95 0.01 . 2 . . . . 93 VAL HG13 . 25527 1 357 . 1 1 30 30 VAL HG21 H 1 0.89 0.01 . 2 . . . . 93 VAL HG21 . 25527 1 358 . 1 1 30 30 VAL HG22 H 1 0.89 0.01 . 2 . . . . 93 VAL HG22 . 25527 1 359 . 1 1 30 30 VAL HG23 H 1 0.89 0.01 . 2 . . . . 93 VAL HG23 . 25527 1 360 . 1 1 30 30 VAL C C 13 175.43 0.1 . 1 . . . . 93 VAL C . 25527 1 361 . 1 1 30 30 VAL CA C 13 62.67 0.1 . 1 . . . . 93 VAL CA . 25527 1 362 . 1 1 30 30 VAL CB C 13 31.61 0.1 . 1 . . . . 93 VAL CB . 25527 1 363 . 1 1 30 30 VAL CG1 C 13 20.77 0.1 . 1 . . . . 93 VAL CG1 . 25527 1 364 . 1 1 30 30 VAL CG2 C 13 20.77 0.1 . 1 . . . . 93 VAL CG2 . 25527 1 365 . 1 1 30 30 VAL N N 15 125.18 0.2 . 1 . . . . 93 VAL N . 25527 1 366 . 1 1 31 31 LEU H H 1 8.86 0.01 . 1 . . . . 94 LEU H . 25527 1 367 . 1 1 31 31 LEU HA H 1 4.71 0.01 . 1 . . . . 94 LEU HA . 25527 1 368 . 1 1 31 31 LEU HB2 H 1 1.71 0.01 . 1 . . . . 94 LEU HB2 . 25527 1 369 . 1 1 31 31 LEU HB3 H 1 1.71 0.01 . 1 . . . . 94 LEU HB3 . 25527 1 370 . 1 1 31 31 LEU HG H 1 1.46 0.01 . 1 . . . . 94 LEU HG . 25527 1 371 . 1 1 31 31 LEU HD11 H 1 0.90 0.01 . 1 . . . . 94 LEU HD11 . 25527 1 372 . 1 1 31 31 LEU HD12 H 1 0.90 0.01 . 1 . . . . 94 LEU HD12 . 25527 1 373 . 1 1 31 31 LEU HD13 H 1 0.90 0.01 . 1 . . . . 94 LEU HD13 . 25527 1 374 . 1 1 31 31 LEU HD21 H 1 0.90 0.01 . 1 . . . . 94 LEU HD21 . 25527 1 375 . 1 1 31 31 LEU HD22 H 1 0.90 0.01 . 1 . . . . 94 LEU HD22 . 25527 1 376 . 1 1 31 31 LEU HD23 H 1 0.90 0.01 . 1 . . . . 94 LEU HD23 . 25527 1 377 . 1 1 31 31 LEU C C 13 176.47 0.1 . 1 . . . . 94 LEU C . 25527 1 378 . 1 1 31 31 LEU CA C 13 53.85 0.1 . 1 . . . . 94 LEU CA . 25527 1 379 . 1 1 31 31 LEU CB C 13 42.47 0.1 . 1 . . . . 94 LEU CB . 25527 1 380 . 1 1 31 31 LEU CG C 13 35.67 0.1 . 1 . . . . 94 LEU CG . 25527 1 381 . 1 1 31 31 LEU CD1 C 13 24.46 0.1 . 2 . . . . 94 LEU CD1 . 25527 1 382 . 1 1 31 31 LEU CD2 C 13 23.57 0.1 . 2 . . . . 94 LEU CD2 . 25527 1 383 . 1 1 31 31 LEU N N 15 131.02 0.2 . 1 . . . . 94 LEU N . 25527 1 384 . 1 1 32 32 GLY H H 1 8.64 0.01 . 1 . . . . 95 GLY H . 25527 1 385 . 1 1 32 32 GLY HA2 H 1 3.94 0.01 . 2 . . . . 95 GLY HA2 . 25527 1 386 . 1 1 32 32 GLY HA3 H 1 3.63 0.01 . 2 . . . . 95 GLY HA3 . 25527 1 387 . 1 1 32 32 GLY C C 13 173.44 0.1 . 1 . . . . 95 GLY C . 25527 1 388 . 1 1 32 32 GLY CA C 13 47.11 0.1 . 1 . . . . 95 GLY CA . 25527 1 389 . 1 1 32 32 GLY N N 15 113.69 0.2 . 1 . . . . 95 GLY N . 25527 1 390 . 1 1 33 33 ASP H H 1 8.31 0.01 . 1 . . . . 96 ASP H . 25527 1 391 . 1 1 33 33 ASP HA H 1 4.63 0.01 . 1 . . . . 96 ASP HA . 25527 1 392 . 1 1 33 33 ASP HB2 H 1 3.05 0.01 . 2 . . . . 96 ASP HB2 . 25527 1 393 . 1 1 33 33 ASP HB3 H 1 2.56 0.01 . 2 . . . . 96 ASP HB3 . 25527 1 394 . 1 1 33 33 ASP C C 13 174.90 0.1 . 1 . . . . 96 ASP C . 25527 1 395 . 1 1 33 33 ASP CA C 13 53.25 0.1 . 1 . . . . 96 ASP CA . 25527 1 396 . 1 1 33 33 ASP CB C 13 40.11 0.1 . 1 . . . . 96 ASP CB . 25527 1 397 . 1 1 33 33 ASP N N 15 122.13 0.2 . 1 . . . . 96 ASP N . 25527 1 398 . 1 1 34 34 VAL H H 1 7.67 0.01 . 1 . . . . 97 VAL H . 25527 1 399 . 1 1 34 34 VAL HA H 1 5.23 0.01 . 1 . . . . 97 VAL HA . 25527 1 400 . 1 1 34 34 VAL HB H 1 2.14 0.01 . 1 . . . . 97 VAL HB . 25527 1 401 . 1 1 34 34 VAL HG11 H 1 0.98 0.01 . 1 . . . . 97 VAL HG11 . 25527 1 402 . 1 1 34 34 VAL HG12 H 1 0.98 0.01 . 1 . . . . 97 VAL HG12 . 25527 1 403 . 1 1 34 34 VAL HG13 H 1 0.98 0.01 . 1 . . . . 97 VAL HG13 . 25527 1 404 . 1 1 34 34 VAL HG21 H 1 0.98 0.01 . 1 . . . . 97 VAL HG21 . 25527 1 405 . 1 1 34 34 VAL HG22 H 1 0.98 0.01 . 1 . . . . 97 VAL HG22 . 25527 1 406 . 1 1 34 34 VAL HG23 H 1 0.98 0.01 . 1 . . . . 97 VAL HG23 . 25527 1 407 . 1 1 34 34 VAL C C 13 174.58 0.1 . 1 . . . . 97 VAL C . 25527 1 408 . 1 1 34 34 VAL CA C 13 60.45 0.1 . 1 . . . . 97 VAL CA . 25527 1 409 . 1 1 34 34 VAL CB C 13 35.87 0.1 . 1 . . . . 97 VAL CB . 25527 1 410 . 1 1 34 34 VAL CG1 C 13 21.24 0.1 . 2 . . . . 97 VAL CG1 . 25527 1 411 . 1 1 34 34 VAL CG2 C 13 20.48 0.1 . 2 . . . . 97 VAL CG2 . 25527 1 412 . 1 1 34 34 VAL N N 15 117.30 0.2 . 1 . . . . 97 VAL N . 25527 1 413 . 1 1 35 35 ILE H H 1 9.06 0.01 . 1 . . . . 98 ILE H . 25527 1 414 . 1 1 35 35 ILE HA H 1 4.80 0.01 . 1 . . . . 98 ILE HA . 25527 1 415 . 1 1 35 35 ILE HB H 1 1.72 0.01 . 1 . . . . 98 ILE HB . 25527 1 416 . 1 1 35 35 ILE HG12 H 1 1.47 0.01 . 1 . . . . 98 ILE HG12 . 25527 1 417 . 1 1 35 35 ILE HG13 H 1 1.47 0.01 . 1 . . . . 98 ILE HG13 . 25527 1 418 . 1 1 35 35 ILE HG21 H 1 0.97 0.01 . 1 . . . . 98 ILE HG21 . 25527 1 419 . 1 1 35 35 ILE HG22 H 1 0.97 0.01 . 1 . . . . 98 ILE HG22 . 25527 1 420 . 1 1 35 35 ILE HG23 H 1 0.97 0.01 . 1 . . . . 98 ILE HG23 . 25527 1 421 . 1 1 35 35 ILE HD11 H 1 0.91 0.01 . 1 . . . . 98 ILE HD11 . 25527 1 422 . 1 1 35 35 ILE HD12 H 1 0.91 0.01 . 1 . . . . 98 ILE HD12 . 25527 1 423 . 1 1 35 35 ILE HD13 H 1 0.91 0.01 . 1 . . . . 98 ILE HD13 . 25527 1 424 . 1 1 35 35 ILE C C 13 175.03 0.1 . 1 . . . . 98 ILE C . 25527 1 425 . 1 1 35 35 ILE CA C 13 59.73 0.1 . 1 . . . . 98 ILE CA . 25527 1 426 . 1 1 35 35 ILE CB C 13 40.53 0.1 . 1 . . . . 98 ILE CB . 25527 1 427 . 1 1 35 35 ILE CG1 C 13 26.91 0.1 . 1 . . . . 98 ILE CG1 . 25527 1 428 . 1 1 35 35 ILE CG2 C 13 17.50 0.1 . 1 . . . . 98 ILE CG2 . 25527 1 429 . 1 1 35 35 ILE CD1 C 13 15.30 0.1 . 1 . . . . 98 ILE CD1 . 25527 1 430 . 1 1 35 35 ILE N N 15 122.88 0.2 . 1 . . . . 98 ILE N . 25527 1 431 . 1 1 36 36 GLU H H 1 9.57 0.01 . 1 . . . . 99 GLU H . 25527 1 432 . 1 1 36 36 GLU HA H 1 5.33 0.01 . 1 . . . . 99 GLU HA . 25527 1 433 . 1 1 36 36 GLU HB2 H 1 2.06 0.01 . 1 . . . . 99 GLU HB2 . 25527 1 434 . 1 1 36 36 GLU HB3 H 1 2.06 0.01 . 1 . . . . 99 GLU HB3 . 25527 1 435 . 1 1 36 36 GLU HG2 H 1 2.28 0.01 . 1 . . . . 99 GLU HG2 . 25527 1 436 . 1 1 36 36 GLU HG3 H 1 2.28 0.01 . 1 . . . . 99 GLU HG3 . 25527 1 437 . 1 1 36 36 GLU C C 13 175.38 0.1 . 1 . . . . 99 GLU C . 25527 1 438 . 1 1 36 36 GLU CA C 13 54.75 0.1 . 1 . . . . 99 GLU CA . 25527 1 439 . 1 1 36 36 GLU CB C 13 32.88 0.1 . 1 . . . . 99 GLU CB . 25527 1 440 . 1 1 36 36 GLU CG C 13 36.85 0.1 . 1 . . . . 99 GLU CG . 25527 1 441 . 1 1 36 36 GLU N N 15 126.66 0.2 . 1 . . . . 99 GLU N . 25527 1 442 . 1 1 37 37 VAL H H 1 9.42 0.01 . 1 . . . . 100 VAL H . 25527 1 443 . 1 1 37 37 VAL HA H 1 4.83 0.01 . 1 . . . . 100 VAL HA . 25527 1 444 . 1 1 37 37 VAL HB H 1 1.96 0.01 . 1 . . . . 100 VAL HB . 25527 1 445 . 1 1 37 37 VAL HG11 H 1 0.96 0.01 . 2 . . . . 100 VAL HG11 . 25527 1 446 . 1 1 37 37 VAL HG12 H 1 0.96 0.01 . 2 . . . . 100 VAL HG12 . 25527 1 447 . 1 1 37 37 VAL HG13 H 1 0.96 0.01 . 2 . . . . 100 VAL HG13 . 25527 1 448 . 1 1 37 37 VAL HG21 H 1 0.84 0.01 . 2 . . . . 100 VAL HG21 . 25527 1 449 . 1 1 37 37 VAL HG22 H 1 0.84 0.01 . 2 . . . . 100 VAL HG22 . 25527 1 450 . 1 1 37 37 VAL HG23 H 1 0.84 0.01 . 2 . . . . 100 VAL HG23 . 25527 1 451 . 1 1 37 37 VAL C C 13 173.53 0.1 . 1 . . . . 100 VAL C . 25527 1 452 . 1 1 37 37 VAL CA C 13 61.38 0.1 . 1 . . . . 100 VAL CA . 25527 1 453 . 1 1 37 37 VAL CB C 13 34.10 0.1 . 1 . . . . 100 VAL CB . 25527 1 454 . 1 1 37 37 VAL CG1 C 13 21.05 0.1 . 2 . . . . 100 VAL CG1 . 25527 1 455 . 1 1 37 37 VAL CG2 C 13 20.01 0.1 . 2 . . . . 100 VAL CG2 . 25527 1 456 . 1 1 37 37 VAL N N 15 123.66 0.2 . 1 . . . . 100 VAL N . 25527 1 457 . 1 1 38 38 HIS H H 1 9.01 0.01 . 1 . . . . 101 HIS H . 25527 1 458 . 1 1 38 38 HIS HA H 1 5.05 0.01 . 1 . . . . 101 HIS HA . 25527 1 459 . 1 1 38 38 HIS HB2 H 1 2.95 0.01 . 2 . . . . 101 HIS HB2 . 25527 1 460 . 1 1 38 38 HIS HB3 H 1 2.72 0.01 . 2 . . . . 101 HIS HB3 . 25527 1 461 . 1 1 38 38 HIS HD2 H 1 6.52 0.01 . 1 . . . . 101 HIS HD2 . 25527 1 462 . 1 1 38 38 HIS HE1 H 1 7.68 0.01 . 1 . . . . 101 HIS HE1 . 25527 1 463 . 1 1 38 38 HIS C C 13 174.01 0.1 . 1 . . . . 101 HIS C . 25527 1 464 . 1 1 38 38 HIS CA C 13 53.30 0.1 . 1 . . . . 101 HIS CA . 25527 1 465 . 1 1 38 38 HIS CB C 13 34.45 0.1 . 1 . . . . 101 HIS CB . 25527 1 466 . 1 1 38 38 HIS CD2 C 13 117.80 0.1 . 1 . . . . 101 HIS CD2 . 25527 1 467 . 1 1 38 38 HIS N N 15 127.43 0.2 . 1 . . . . 101 HIS N . 25527 1 468 . 1 1 38 38 HIS ND1 N 15 231.60 0.2 . 1 . . . . 101 HIS ND1 . 25527 1 469 . 1 1 38 38 HIS NE2 N 15 173.10 0.2 . 1 . . . . 101 HIS NE2 . 25527 1 470 . 1 1 39 39 GLY H H 1 7.10 0.01 . 1 . . . . 102 GLY H . 25527 1 471 . 1 1 39 39 GLY HA2 H 1 4.81 0.01 . 2 . . . . 102 GLY HA2 . 25527 1 472 . 1 1 39 39 GLY HA3 H 1 1.95 0.01 . 2 . . . . 102 GLY HA3 . 25527 1 473 . 1 1 39 39 GLY C C 13 171.05 0.1 . 1 . . . . 102 GLY C . 25527 1 474 . 1 1 39 39 GLY CA C 13 43.61 0.1 . 1 . . . . 102 GLY CA . 25527 1 475 . 1 1 39 39 GLY N N 15 112.89 0.2 . 1 . . . . 102 GLY N . 25527 1 476 . 1 1 40 40 LYS H H 1 8.06 0.01 . 1 . . . . 103 LYS H . 25527 1 477 . 1 1 40 40 LYS HA H 1 5.16 0.01 . 1 . . . . 103 LYS HA . 25527 1 478 . 1 1 40 40 LYS HB2 H 1 1.75 0.01 . 1 . . . . 103 LYS HB2 . 25527 1 479 . 1 1 40 40 LYS HB3 H 1 1.75 0.01 . 1 . . . . 103 LYS HB3 . 25527 1 480 . 1 1 40 40 LYS HG2 H 1 1.31 0.01 . 1 . . . . 103 LYS HG2 . 25527 1 481 . 1 1 40 40 LYS HG3 H 1 1.31 0.01 . 1 . . . . 103 LYS HG3 . 25527 1 482 . 1 1 40 40 LYS HD2 H 1 1.62 0.01 . 1 . . . . 103 LYS HD2 . 25527 1 483 . 1 1 40 40 LYS HD3 H 1 1.62 0.01 . 1 . . . . 103 LYS HD3 . 25527 1 484 . 1 1 40 40 LYS HE2 H 1 2.91 0.01 . 1 . . . . 103 LYS HE2 . 25527 1 485 . 1 1 40 40 LYS HE3 H 1 2.91 0.01 . 1 . . . . 103 LYS HE3 . 25527 1 486 . 1 1 40 40 LYS C C 13 174.65 0.1 . 1 . . . . 103 LYS C . 25527 1 487 . 1 1 40 40 LYS CA C 13 56.24 0.1 . 1 . . . . 103 LYS CA . 25527 1 488 . 1 1 40 40 LYS CB C 13 35.11 0.1 . 1 . . . . 103 LYS CB . 25527 1 489 . 1 1 40 40 LYS N N 15 123.26 0.2 . 1 . . . . 103 LYS N . 25527 1 490 . 1 1 41 41 HIS H H 1 9.32 0.01 . 1 . . . . 104 HIS H . 25527 1 491 . 1 1 41 41 HIS HA H 1 5.41 0.01 . 1 . . . . 104 HIS HA . 25527 1 492 . 1 1 41 41 HIS HB2 H 1 3.45 0.01 . 2 . . . . 104 HIS HB2 . 25527 1 493 . 1 1 41 41 HIS HB3 H 1 3.29 0.01 . 2 . . . . 104 HIS HB3 . 25527 1 494 . 1 1 41 41 HIS HD2 H 1 5.86 0.01 . 1 . . . . 104 HIS HD2 . 25527 1 495 . 1 1 41 41 HIS HE1 H 1 7.73 0.01 . 1 . . . . 104 HIS HE1 . 25527 1 496 . 1 1 41 41 HIS C C 13 175.24 0.1 . 1 . . . . 104 HIS C . 25527 1 497 . 1 1 41 41 HIS CA C 13 54.66 0.1 . 1 . . . . 104 HIS CA . 25527 1 498 . 1 1 41 41 HIS CB C 13 32.47 0.1 . 1 . . . . 104 HIS CB . 25527 1 499 . 1 1 41 41 HIS CD2 C 13 130.40 0.1 . 1 . . . . 104 HIS CD2 . 25527 1 500 . 1 1 41 41 HIS N N 15 123.49 0.2 . 1 . . . . 104 HIS N . 25527 1 501 . 1 1 41 41 HIS ND1 N 15 168.80 0.2 . 1 . . . . 104 HIS ND1 . 25527 1 502 . 1 1 41 41 HIS NE2 N 15 249.70 0.2 . 1 . . . . 104 HIS NE2 . 25527 1 503 . 1 1 42 42 GLU H H 1 9.11 0.01 . 1 . . . . 105 GLU H . 25527 1 504 . 1 1 42 42 GLU HA H 1 4.40 0.01 . 1 . . . . 105 GLU HA . 25527 1 505 . 1 1 42 42 GLU HB2 H 1 2.01 0.01 . 1 . . . . 105 GLU HB2 . 25527 1 506 . 1 1 42 42 GLU HB3 H 1 2.01 0.01 . 1 . . . . 105 GLU HB3 . 25527 1 507 . 1 1 42 42 GLU HG2 H 1 2.43 0.01 . 2 . . . . 105 GLU HG2 . 25527 1 508 . 1 1 42 42 GLU HG3 H 1 2.34 0.01 . 2 . . . . 105 GLU HG3 . 25527 1 509 . 1 1 42 42 GLU C C 13 176.37 0.1 . 1 . . . . 105 GLU C . 25527 1 510 . 1 1 42 42 GLU CA C 13 54.98 0.1 . 1 . . . . 105 GLU CA . 25527 1 511 . 1 1 42 42 GLU CB C 13 29.66 0.1 . 1 . . . . 105 GLU CB . 25527 1 512 . 1 1 42 42 GLU CG C 13 36.22 0.1 . 1 . . . . 105 GLU CG . 25527 1 513 . 1 1 42 42 GLU N N 15 122.91 0.2 . 1 . . . . 105 GLU N . 25527 1 514 . 1 1 43 43 GLU H H 1 8.89 0.01 . 1 . . . . 106 GLU H . 25527 1 515 . 1 1 43 43 GLU HA H 1 4.72 0.01 . 1 . . . . 106 GLU HA . 25527 1 516 . 1 1 43 43 GLU HB2 H 1 2.10 0.01 . 1 . . . . 106 GLU HB2 . 25527 1 517 . 1 1 43 43 GLU HB3 H 1 2.10 0.01 . 1 . . . . 106 GLU HB3 . 25527 1 518 . 1 1 43 43 GLU HG2 H 1 2.61 0.01 . 1 . . . . 106 GLU HG2 . 25527 1 519 . 1 1 43 43 GLU HG3 H 1 2.61 0.01 . 1 . . . . 106 GLU HG3 . 25527 1 520 . 1 1 43 43 GLU C C 13 175.92 0.1 . 1 . . . . 106 GLU C . 25527 1 521 . 1 1 43 43 GLU CA C 13 58.38 0.1 . 1 . . . . 106 GLU CA . 25527 1 522 . 1 1 43 43 GLU CB C 13 30.15 0.1 . 1 . . . . 106 GLU CB . 25527 1 523 . 1 1 43 43 GLU CG C 13 37.61 0.1 . 1 . . . . 106 GLU CG . 25527 1 524 . 1 1 43 43 GLU N N 15 121.62 0.2 . 1 . . . . 106 GLU N . 25527 1 525 . 1 1 44 44 ARG H H 1 8.97 0.01 . 1 . . . . 107 ARG H . 25527 1 526 . 1 1 44 44 ARG HA H 1 4.93 0.01 . 1 . . . . 107 ARG HA . 25527 1 527 . 1 1 44 44 ARG HB2 H 1 2.05 0.01 . 2 . . . . 107 ARG HB2 . 25527 1 528 . 1 1 44 44 ARG HB3 H 1 1.83 0.01 . 2 . . . . 107 ARG HB3 . 25527 1 529 . 1 1 44 44 ARG HG2 H 1 1.75 0.01 . 2 . . . . 107 ARG HG2 . 25527 1 530 . 1 1 44 44 ARG HG3 H 1 1.51 0.01 . 2 . . . . 107 ARG HG3 . 25527 1 531 . 1 1 44 44 ARG HD2 H 1 3.18 0.01 . 2 . . . . 107 ARG HD2 . 25527 1 532 . 1 1 44 44 ARG HD3 H 1 2.91 0.01 . 2 . . . . 107 ARG HD3 . 25527 1 533 . 1 1 44 44 ARG C C 13 174.50 0.1 . 1 . . . . 107 ARG C . 25527 1 534 . 1 1 44 44 ARG CA C 13 54.32 0.1 . 1 . . . . 107 ARG CA . 25527 1 535 . 1 1 44 44 ARG CB C 13 32.73 0.1 . 1 . . . . 107 ARG CB . 25527 1 536 . 1 1 44 44 ARG CD C 13 43.43 0.1 . 1 . . . . 107 ARG CD . 25527 1 537 . 1 1 44 44 ARG N N 15 125.15 0.2 . 1 . . . . 107 ARG N . 25527 1 538 . 1 1 45 45 GLN H H 1 8.79 0.01 . 1 . . . . 108 GLN H . 25527 1 539 . 1 1 45 45 GLN HA H 1 4.66 0.01 . 1 . . . . 108 GLN HA . 25527 1 540 . 1 1 45 45 GLN HB2 H 1 2.00 0.01 . 2 . . . . 108 GLN HB2 . 25527 1 541 . 1 1 45 45 GLN HB3 H 1 1.98 0.01 . 2 . . . . 108 GLN HB3 . 25527 1 542 . 1 1 45 45 GLN HG2 H 1 2.23 0.01 . 1 . . . . 108 GLN HG2 . 25527 1 543 . 1 1 45 45 GLN HG3 H 1 2.23 0.01 . 1 . . . . 108 GLN HG3 . 25527 1 544 . 1 1 45 45 GLN HE21 H 1 7.64 0.01 . 1 . . . . 108 GLN HE21 . 25527 1 545 . 1 1 45 45 GLN HE22 H 1 6.92 0.01 . 1 . . . . 108 GLN HE22 . 25527 1 546 . 1 1 45 45 GLN C C 13 176.13 0.1 . 1 . . . . 108 GLN C . 25527 1 547 . 1 1 45 45 GLN CA C 13 55.00 0.1 . 1 . . . . 108 GLN CA . 25527 1 548 . 1 1 45 45 GLN CB C 13 29.15 0.1 . 1 . . . . 108 GLN CB . 25527 1 549 . 1 1 45 45 GLN CG C 13 33.66 0.1 . 1 . . . . 108 GLN CG . 25527 1 550 . 1 1 45 45 GLN N N 15 122.35 0.2 . 1 . . . . 108 GLN N . 25527 1 551 . 1 1 45 45 GLN NE2 N 15 113.25 0.2 . 1 . . . . 108 GLN NE2 . 25527 1 552 . 1 1 46 46 ASP H H 1 8.98 0.01 . 1 . . . . 109 ASP H . 25527 1 553 . 1 1 46 46 ASP HA H 1 4.52 0.01 . 1 . . . . 109 ASP HA . 25527 1 554 . 1 1 46 46 ASP HB2 H 1 2.54 0.01 . 2 . . . . 109 ASP HB2 . 25527 1 555 . 1 1 46 46 ASP HB3 H 1 2.51 0.01 . 2 . . . . 109 ASP HB3 . 25527 1 556 . 1 1 46 46 ASP C C 13 176.29 0.1 . 1 . . . . 109 ASP C . 25527 1 557 . 1 1 46 46 ASP CA C 13 52.23 0.1 . 1 . . . . 109 ASP CA . 25527 1 558 . 1 1 46 46 ASP CB C 13 41.42 0.1 . 1 . . . . 109 ASP CB . 25527 1 559 . 1 1 46 46 ASP N N 15 128.19 0.2 . 1 . . . . 109 ASP N . 25527 1 560 . 1 1 47 47 GLU H H 1 9.04 0.01 . 1 . . . . 110 GLU H . 25527 1 561 . 1 1 47 47 GLU HA H 1 4.83 0.01 . 1 . . . . 110 GLU HA . 25527 1 562 . 1 1 47 47 GLU HB2 H 1 2.60 0.01 . 1 . . . . 110 GLU HB2 . 25527 1 563 . 1 1 47 47 GLU HB3 H 1 2.60 0.01 . 1 . . . . 110 GLU HB3 . 25527 1 564 . 1 1 47 47 GLU HG2 H 1 2.83 0.01 . 1 . . . . 110 GLU HG2 . 25527 1 565 . 1 1 47 47 GLU HG3 H 1 2.83 0.01 . 1 . . . . 110 GLU HG3 . 25527 1 566 . 1 1 47 47 GLU C C 13 176.72 0.1 . 1 . . . . 110 GLU C . 25527 1 567 . 1 1 47 47 GLU CA C 13 58.44 0.1 . 1 . . . . 110 GLU CA . 25527 1 568 . 1 1 47 47 GLU CB C 13 28.13 0.1 . 1 . . . . 110 GLU CB . 25527 1 569 . 1 1 47 47 GLU N N 15 116.22 0.2 . 1 . . . . 110 GLU N . 25527 1 570 . 1 1 48 48 HIS H H 1 7.85 0.01 . 1 . . . . 111 HIS H . 25527 1 571 . 1 1 48 48 HIS HA H 1 4.96 0.01 . 1 . . . . 111 HIS HA . 25527 1 572 . 1 1 48 48 HIS HB2 H 1 3.39 0.01 . 2 . . . . 111 HIS HB2 . 25527 1 573 . 1 1 48 48 HIS HB3 H 1 2.91 0.01 . 2 . . . . 111 HIS HB3 . 25527 1 574 . 1 1 48 48 HIS HD2 H 1 6.98 0.01 . 1 . . . . 111 HIS HD2 . 25527 1 575 . 1 1 48 48 HIS HE1 H 1 7.77 0.01 . 1 . . . . 111 HIS HE1 . 25527 1 576 . 1 1 48 48 HIS C C 13 175.66 0.1 . 1 . . . . 111 HIS C . 25527 1 577 . 1 1 48 48 HIS CA C 13 55.92 0.1 . 1 . . . . 111 HIS CA . 25527 1 578 . 1 1 48 48 HIS CB C 13 32.46 0.1 . 1 . . . . 111 HIS CB . 25527 1 579 . 1 1 48 48 HIS CD2 C 13 118.80 0.1 . 1 . . . . 111 HIS CD2 . 25527 1 580 . 1 1 48 48 HIS CE1 C 13 138.96 0.1 . 1 . . . . 111 HIS CE1 . 25527 1 581 . 1 1 48 48 HIS N N 15 115.83 0.2 . 1 . . . . 111 HIS N . 25527 1 582 . 1 1 48 48 HIS ND1 N 15 235.40 0.2 . 1 . . . . 111 HIS ND1 . 25527 1 583 . 1 1 48 48 HIS NE2 N 15 174.97 0.2 . 1 . . . . 111 HIS NE2 . 25527 1 584 . 1 1 49 49 GLY H H 1 7.50 0.01 . 1 . . . . 112 GLY H . 25527 1 585 . 1 1 49 49 GLY HA2 H 1 4.77 0.01 . 2 . . . . 112 GLY HA2 . 25527 1 586 . 1 1 49 49 GLY HA3 H 1 3.65 0.01 . 2 . . . . 112 GLY HA3 . 25527 1 587 . 1 1 49 49 GLY C C 13 170.78 0.1 . 1 . . . . 112 GLY C . 25527 1 588 . 1 1 49 49 GLY CA C 13 45.97 0.1 . 1 . . . . 112 GLY CA . 25527 1 589 . 1 1 49 49 GLY N N 15 107.87 0.2 . 1 . . . . 112 GLY N . 25527 1 590 . 1 1 50 50 PHE H H 1 8.71 0.01 . 1 . . . . 113 PHE H . 25527 1 591 . 1 1 50 50 PHE HA H 1 5.53 0.01 . 1 . . . . 113 PHE HA . 25527 1 592 . 1 1 50 50 PHE HB2 H 1 2.91 0.01 . 2 . . . . 113 PHE HB2 . 25527 1 593 . 1 1 50 50 PHE HB3 H 1 2.68 0.01 . 2 . . . . 113 PHE HB3 . 25527 1 594 . 1 1 50 50 PHE HD1 H 1 7.01 0.01 . 1 . . . . 113 PHE HD1 . 25527 1 595 . 1 1 50 50 PHE HD2 H 1 7.01 0.01 . 1 . . . . 113 PHE HD2 . 25527 1 596 . 1 1 50 50 PHE HE1 H 1 7.34 0.01 . 1 . . . . 113 PHE HE1 . 25527 1 597 . 1 1 50 50 PHE HE2 H 1 7.34 0.01 . 1 . . . . 113 PHE HE2 . 25527 1 598 . 1 1 50 50 PHE C C 13 175.42 0.1 . 1 . . . . 113 PHE C . 25527 1 599 . 1 1 50 50 PHE CA C 13 56.66 0.1 . 1 . . . . 113 PHE CA . 25527 1 600 . 1 1 50 50 PHE CB C 13 42.81 0.1 . 1 . . . . 113 PHE CB . 25527 1 601 . 1 1 50 50 PHE CD1 C 13 132.03 0.1 . 1 . . . . 113 PHE CD1 . 25527 1 602 . 1 1 50 50 PHE CD2 C 13 132.03 0.1 . 1 . . . . 113 PHE CD2 . 25527 1 603 . 1 1 50 50 PHE CE1 C 13 131.12 0.1 . 1 . . . . 113 PHE CE1 . 25527 1 604 . 1 1 50 50 PHE CE2 C 13 131.12 0.1 . 1 . . . . 113 PHE CE2 . 25527 1 605 . 1 1 50 50 PHE N N 15 122.11 0.2 . 1 . . . . 113 PHE N . 25527 1 606 . 1 1 51 51 ILE H H 1 9.52 0.01 . 1 . . . . 114 ILE H . 25527 1 607 . 1 1 51 51 ILE HA H 1 5.79 0.01 . 1 . . . . 114 ILE HA . 25527 1 608 . 1 1 51 51 ILE HB H 1 2.10 0.01 . 1 . . . . 114 ILE HB . 25527 1 609 . 1 1 51 51 ILE HG12 H 1 1.39 0.01 . 2 . . . . 114 ILE HG12 . 25527 1 610 . 1 1 51 51 ILE HG13 H 1 1.70 0.01 . 2 . . . . 114 ILE HG13 . 25527 1 611 . 1 1 51 51 ILE HG21 H 1 0.90 0.01 . 1 . . . . 114 ILE HG21 . 25527 1 612 . 1 1 51 51 ILE HG22 H 1 0.90 0.01 . 1 . . . . 114 ILE HG22 . 25527 1 613 . 1 1 51 51 ILE HG23 H 1 0.90 0.01 . 1 . . . . 114 ILE HG23 . 25527 1 614 . 1 1 51 51 ILE HD11 H 1 1.00 0.01 . 1 . . . . 114 ILE HD11 . 25527 1 615 . 1 1 51 51 ILE HD12 H 1 1.00 0.01 . 1 . . . . 114 ILE HD12 . 25527 1 616 . 1 1 51 51 ILE HD13 H 1 1.00 0.01 . 1 . . . . 114 ILE HD13 . 25527 1 617 . 1 1 51 51 ILE C C 13 172.89 0.1 . 1 . . . . 114 ILE C . 25527 1 618 . 1 1 51 51 ILE CA C 13 57.49 0.1 . 1 . . . . 114 ILE CA . 25527 1 619 . 1 1 51 51 ILE CB C 13 41.63 0.1 . 1 . . . . 114 ILE CB . 25527 1 620 . 1 1 51 51 ILE CG2 C 13 14.30 0.1 . 1 . . . . 114 ILE CG2 . 25527 1 621 . 1 1 51 51 ILE CD1 C 13 15.20 0.1 . 1 . . . . 114 ILE CD1 . 25527 1 622 . 1 1 51 51 ILE N N 15 120.97 0.2 . 1 . . . . 114 ILE N . 25527 1 623 . 1 1 52 52 SER H H 1 8.93 0.01 . 1 . . . . 115 SER H . 25527 1 624 . 1 1 52 52 SER HA H 1 4.45 0.01 . 1 . . . . 115 SER HA . 25527 1 625 . 1 1 52 52 SER HB2 H 1 4.19 0.01 . 2 . . . . 115 SER HB2 . 25527 1 626 . 1 1 52 52 SER HB3 H 1 3.60 0.01 . 2 . . . . 115 SER HB3 . 25527 1 627 . 1 1 52 52 SER C C 13 172.53 0.1 . 1 . . . . 115 SER C . 25527 1 628 . 1 1 52 52 SER CA C 13 57.49 0.1 . 1 . . . . 115 SER CA . 25527 1 629 . 1 1 52 52 SER CB C 13 66.11 0.1 . 1 . . . . 115 SER CB . 25527 1 630 . 1 1 52 52 SER N N 15 122.24 0.2 . 1 . . . . 115 SER N . 25527 1 631 . 1 1 53 53 ARG H H 1 6.14 0.01 . 1 . . . . 116 ARG H . 25527 1 632 . 1 1 53 53 ARG HA H 1 5.24 0.01 . 1 . . . . 116 ARG HA . 25527 1 633 . 1 1 53 53 ARG HB2 H 1 1.94 0.01 . 1 . . . . 116 ARG HB2 . 25527 1 634 . 1 1 53 53 ARG HB3 H 1 1.94 0.01 . 1 . . . . 116 ARG HB3 . 25527 1 635 . 1 1 53 53 ARG HG2 H 1 1.46 0.01 . 1 . . . . 116 ARG HG2 . 25527 1 636 . 1 1 53 53 ARG HG3 H 1 1.46 0.01 . 1 . . . . 116 ARG HG3 . 25527 1 637 . 1 1 53 53 ARG HD2 H 1 3.28 0.01 . 1 . . . . 116 ARG HD2 . 25527 1 638 . 1 1 53 53 ARG HD3 H 1 3.28 0.01 . 1 . . . . 116 ARG HD3 . 25527 1 639 . 1 1 53 53 ARG C C 13 175.00 0.1 . 1 . . . . 116 ARG C . 25527 1 640 . 1 1 53 53 ARG CA C 13 55.71 0.1 . 1 . . . . 116 ARG CA . 25527 1 641 . 1 1 53 53 ARG CB C 13 36.87 0.1 . 1 . . . . 116 ARG CB . 25527 1 642 . 1 1 53 53 ARG N N 15 115.96 0.2 . 1 . . . . 116 ARG N . 25527 1 643 . 1 1 54 54 GLU H H 1 9.05 0.01 . 1 . . . . 117 GLU H . 25527 1 644 . 1 1 54 54 GLU HA H 1 5.40 0.01 . 1 . . . . 117 GLU HA . 25527 1 645 . 1 1 54 54 GLU HB2 H 1 2.11 0.01 . 2 . . . . 117 GLU HB2 . 25527 1 646 . 1 1 54 54 GLU HB3 H 1 2.02 0.01 . 2 . . . . 117 GLU HB3 . 25527 1 647 . 1 1 54 54 GLU HG2 H 1 2.20 0.01 . 1 . . . . 117 GLU HG2 . 25527 1 648 . 1 1 54 54 GLU HG3 H 1 2.20 0.01 . 1 . . . . 117 GLU HG3 . 25527 1 649 . 1 1 54 54 GLU C C 13 174.55 0.1 . 1 . . . . 117 GLU C . 25527 1 650 . 1 1 54 54 GLU CA C 13 54.71 0.1 . 1 . . . . 117 GLU CA . 25527 1 651 . 1 1 54 54 GLU CB C 13 32.84 0.1 . 1 . . . . 117 GLU CB . 25527 1 652 . 1 1 54 54 GLU N N 15 119.95 0.2 . 1 . . . . 117 GLU N . 25527 1 653 . 1 1 55 55 PHE H H 1 9.26 0.01 . 1 . . . . 118 PHE H . 25527 1 654 . 1 1 55 55 PHE HA H 1 5.52 0.01 . 1 . . . . 118 PHE HA . 25527 1 655 . 1 1 55 55 PHE HB2 H 1 3.26 0.01 . 1 . . . . 118 PHE HB2 . 25527 1 656 . 1 1 55 55 PHE HB3 H 1 3.26 0.01 . 1 . . . . 118 PHE HB3 . 25527 1 657 . 1 1 55 55 PHE HD1 H 1 7.10 0.01 . 1 . . . . 118 PHE HD1 . 25527 1 658 . 1 1 55 55 PHE HD2 H 1 7.10 0.01 . 1 . . . . 118 PHE HD2 . 25527 1 659 . 1 1 55 55 PHE HE1 H 1 6.58 0.01 . 1 . . . . 118 PHE HE1 . 25527 1 660 . 1 1 55 55 PHE HE2 H 1 6.58 0.01 . 1 . . . . 118 PHE HE2 . 25527 1 661 . 1 1 55 55 PHE HZ H 1 7.38 0.01 . 1 . . . . 118 PHE HZ . 25527 1 662 . 1 1 55 55 PHE C C 13 172.40 0.1 . 1 . . . . 118 PHE C . 25527 1 663 . 1 1 55 55 PHE CA C 13 56.92 0.1 . 1 . . . . 118 PHE CA . 25527 1 664 . 1 1 55 55 PHE CB C 13 42.17 0.1 . 1 . . . . 118 PHE CB . 25527 1 665 . 1 1 55 55 PHE CE1 C 13 130.30 0.1 . 1 . . . . 118 PHE CE1 . 25527 1 666 . 1 1 55 55 PHE CE2 C 13 130.30 0.1 . 1 . . . . 118 PHE CE2 . 25527 1 667 . 1 1 55 55 PHE N N 15 122.69 0.2 . 1 . . . . 118 PHE N . 25527 1 668 . 1 1 56 56 HIS H H 1 8.40 0.01 . 1 . . . . 119 HIS H . 25527 1 669 . 1 1 56 56 HIS HA H 1 5.12 0.01 . 1 . . . . 119 HIS HA . 25527 1 670 . 1 1 56 56 HIS HB2 H 1 3.08 0.01 . 2 . . . . 119 HIS HB2 . 25527 1 671 . 1 1 56 56 HIS HB3 H 1 2.99 0.01 . 2 . . . . 119 HIS HB3 . 25527 1 672 . 1 1 56 56 HIS HD2 H 1 6.85 0.01 . 1 . . . . 119 HIS HD2 . 25527 1 673 . 1 1 56 56 HIS HE1 H 1 7.72 0.01 . 1 . . . . 119 HIS HE1 . 25527 1 674 . 1 1 56 56 HIS C C 13 173.73 0.1 . 1 . . . . 119 HIS C . 25527 1 675 . 1 1 56 56 HIS CA C 13 55.28 0.1 . 1 . . . . 119 HIS CA . 25527 1 676 . 1 1 56 56 HIS CB C 13 32.20 0.1 . 1 . . . . 119 HIS CB . 25527 1 677 . 1 1 56 56 HIS CD2 C 13 117.50 0.1 . 1 . . . . 119 HIS CD2 . 25527 1 678 . 1 1 56 56 HIS N N 15 118.87 0.2 . 1 . . . . 119 HIS N . 25527 1 679 . 1 1 56 56 HIS ND1 N 15 210.00 0.2 . 1 . . . . 119 HIS ND1 . 25527 1 680 . 1 1 56 56 HIS NE2 N 15 180.20 0.2 . 1 . . . . 119 HIS NE2 . 25527 1 681 . 1 1 57 57 ARG H H 1 9.63 0.01 . 1 . . . . 120 ARG H . 25527 1 682 . 1 1 57 57 ARG HA H 1 5.48 0.01 . 1 . . . . 120 ARG HA . 25527 1 683 . 1 1 57 57 ARG HB2 H 1 1.73 0.01 . 1 . . . . 120 ARG HB2 . 25527 1 684 . 1 1 57 57 ARG HB3 H 1 1.73 0.01 . 1 . . . . 120 ARG HB3 . 25527 1 685 . 1 1 57 57 ARG HG2 H 1 1.55 0.01 . 1 . . . . 120 ARG HG2 . 25527 1 686 . 1 1 57 57 ARG HG3 H 1 1.55 0.01 . 1 . . . . 120 ARG HG3 . 25527 1 687 . 1 1 57 57 ARG HD2 H 1 3.39 0.01 . 1 . . . . 120 ARG HD2 . 25527 1 688 . 1 1 57 57 ARG HD3 H 1 3.39 0.01 . 1 . . . . 120 ARG HD3 . 25527 1 689 . 1 1 57 57 ARG CA C 13 53.20 0.1 . 1 . . . . 120 ARG CA . 25527 1 690 . 1 1 57 57 ARG CB C 13 32.82 0.1 . 1 . . . . 120 ARG CB . 25527 1 691 . 1 1 57 57 ARG CG C 13 26.68 0.1 . 1 . . . . 120 ARG CG . 25527 1 692 . 1 1 57 57 ARG CD C 13 43.17 0.1 . 1 . . . . 120 ARG CD . 25527 1 693 . 1 1 57 57 ARG N N 15 128.51 0.2 . 1 . . . . 120 ARG N . 25527 1 694 . 1 1 58 58 LYS H H 1 8.95 0.01 . 1 . . . . 121 LYS H . 25527 1 695 . 1 1 58 58 LYS HA H 1 5.58 0.01 . 1 . . . . 121 LYS HA . 25527 1 696 . 1 1 58 58 LYS HB2 H 1 1.64 0.01 . 1 . . . . 121 LYS HB2 . 25527 1 697 . 1 1 58 58 LYS HB3 H 1 1.64 0.01 . 1 . . . . 121 LYS HB3 . 25527 1 698 . 1 1 58 58 LYS HG2 H 1 1.39 0.01 . 1 . . . . 121 LYS HG2 . 25527 1 699 . 1 1 58 58 LYS HG3 H 1 1.39 0.01 . 1 . . . . 121 LYS HG3 . 25527 1 700 . 1 1 58 58 LYS HE2 H 1 3.00 0.01 . 1 . . . . 121 LYS HE2 . 25527 1 701 . 1 1 58 58 LYS HE3 H 1 3.00 0.01 . 1 . . . . 121 LYS HE3 . 25527 1 702 . 1 1 58 58 LYS C C 13 175.80 0.1 . 1 . . . . 121 LYS C . 25527 1 703 . 1 1 58 58 LYS CA C 13 54.90 0.1 . 1 . . . . 121 LYS CA . 25527 1 704 . 1 1 58 58 LYS CB C 13 29.20 0.1 . 1 . . . . 121 LYS CB . 25527 1 705 . 1 1 58 58 LYS N N 15 123.65 0.2 . 1 . . . . 121 LYS N . 25527 1 706 . 1 1 59 59 TYR H H 1 9.43 0.01 . 1 . . . . 122 TYR H . 25527 1 707 . 1 1 59 59 TYR HA H 1 5.13 0.01 . 1 . . . . 122 TYR HA . 25527 1 708 . 1 1 59 59 TYR HB2 H 1 3.20 0.01 . 2 . . . . 122 TYR HB2 . 25527 1 709 . 1 1 59 59 TYR HB3 H 1 2.75 0.01 . 2 . . . . 122 TYR HB3 . 25527 1 710 . 1 1 59 59 TYR HD1 H 1 7.03 0.01 . 1 . . . . 122 TYR HD1 . 25527 1 711 . 1 1 59 59 TYR HD2 H 1 7.03 0.01 . 1 . . . . 122 TYR HD2 . 25527 1 712 . 1 1 59 59 TYR HE1 H 1 6.54 0.01 . 1 . . . . 122 TYR HE1 . 25527 1 713 . 1 1 59 59 TYR HE2 H 1 6.54 0.01 . 1 . . . . 122 TYR HE2 . 25527 1 714 . 1 1 59 59 TYR C C 13 175.31 0.1 . 1 . . . . 122 TYR C . 25527 1 715 . 1 1 59 59 TYR CA C 13 56.80 0.1 . 1 . . . . 122 TYR CA . 25527 1 716 . 1 1 59 59 TYR CB C 13 41.48 0.1 . 1 . . . . 122 TYR CB . 25527 1 717 . 1 1 59 59 TYR CD1 C 13 130.50 0.1 . 1 . . . . 122 TYR CD1 . 25527 1 718 . 1 1 59 59 TYR CD2 C 13 130.50 0.1 . 1 . . . . 122 TYR CD2 . 25527 1 719 . 1 1 59 59 TYR CE1 C 13 117.02 0.1 . 1 . . . . 122 TYR CE1 . 25527 1 720 . 1 1 59 59 TYR CE2 C 13 117.02 0.1 . 1 . . . . 122 TYR CE2 . 25527 1 721 . 1 1 59 59 TYR N N 15 121.60 0.2 . 1 . . . . 122 TYR N . 25527 1 722 . 1 1 60 60 ARG H H 1 8.89 0.01 . 1 . . . . 123 ARG H . 25527 1 723 . 1 1 60 60 ARG HA H 1 4.79 0.01 . 1 . . . . 123 ARG HA . 25527 1 724 . 1 1 60 60 ARG HB2 H 1 1.89 0.01 . 2 . . . . 123 ARG HB2 . 25527 1 725 . 1 1 60 60 ARG HB3 H 1 1.72 0.01 . 2 . . . . 123 ARG HB3 . 25527 1 726 . 1 1 60 60 ARG HG2 H 1 1.63 0.01 . 1 . . . . 123 ARG HG2 . 25527 1 727 . 1 1 60 60 ARG HG3 H 1 1.63 0.01 . 1 . . . . 123 ARG HG3 . 25527 1 728 . 1 1 60 60 ARG HD2 H 1 3.21 0.01 . 1 . . . . 123 ARG HD2 . 25527 1 729 . 1 1 60 60 ARG HD3 H 1 3.21 0.01 . 1 . . . . 123 ARG HD3 . 25527 1 730 . 1 1 60 60 ARG C C 13 175.81 0.1 . 1 . . . . 123 ARG C . 25527 1 731 . 1 1 60 60 ARG CA C 13 55.81 0.1 . 1 . . . . 123 ARG CA . 25527 1 732 . 1 1 60 60 ARG CB C 13 29.78 0.1 . 1 . . . . 123 ARG CB . 25527 1 733 . 1 1 60 60 ARG CG C 13 26.75 0.1 . 1 . . . . 123 ARG CG . 25527 1 734 . 1 1 60 60 ARG CD C 13 42.99 0.1 . 1 . . . . 123 ARG CD . 25527 1 735 . 1 1 60 60 ARG N N 15 123.09 0.2 . 1 . . . . 123 ARG N . 25527 1 736 . 1 1 61 61 ILE H H 1 8.43 0.01 . 1 . . . . 124 ILE H . 25527 1 737 . 1 1 61 61 ILE HA H 1 3.74 0.01 . 1 . . . . 124 ILE HA . 25527 1 738 . 1 1 61 61 ILE HB H 1 1.80 0.01 . 1 . . . . 124 ILE HB . 25527 1 739 . 1 1 61 61 ILE HG12 H 1 1.56 0.01 . 1 . . . . 124 ILE HG12 . 25527 1 740 . 1 1 61 61 ILE HG13 H 1 1.56 0.01 . 1 . . . . 124 ILE HG13 . 25527 1 741 . 1 1 61 61 ILE HG21 H 1 0.70 0.01 . 1 . . . . 124 ILE HG21 . 25527 1 742 . 1 1 61 61 ILE HG22 H 1 0.70 0.01 . 1 . . . . 124 ILE HG22 . 25527 1 743 . 1 1 61 61 ILE HG23 H 1 0.70 0.01 . 1 . . . . 124 ILE HG23 . 25527 1 744 . 1 1 61 61 ILE HD11 H 1 0.54 0.01 . 1 . . . . 124 ILE HD11 . 25527 1 745 . 1 1 61 61 ILE HD12 H 1 0.54 0.01 . 1 . . . . 124 ILE HD12 . 25527 1 746 . 1 1 61 61 ILE HD13 H 1 0.54 0.01 . 1 . . . . 124 ILE HD13 . 25527 1 747 . 1 1 61 61 ILE CA C 13 59.66 0.1 . 1 . . . . 124 ILE CA . 25527 1 748 . 1 1 61 61 ILE CB C 13 38.23 0.1 . 1 . . . . 124 ILE CB . 25527 1 749 . 1 1 61 61 ILE CD1 C 13 14.00 0.1 . 1 . . . . 124 ILE CD1 . 25527 1 750 . 1 1 61 61 ILE N N 15 126.42 0.2 . 1 . . . . 124 ILE N . 25527 1 751 . 1 1 62 62 PRO HA H 1 4.30 0.01 . 1 . . . . 125 PRO HA . 25527 1 752 . 1 1 62 62 PRO HB2 H 1 2.29 0.01 . 1 . . . . 125 PRO HB2 . 25527 1 753 . 1 1 62 62 PRO HB3 H 1 2.29 0.01 . 1 . . . . 125 PRO HB3 . 25527 1 754 . 1 1 62 62 PRO HG2 H 1 2.03 0.01 . 2 . . . . 125 PRO HG2 . 25527 1 755 . 1 1 62 62 PRO HG3 H 1 1.93 0.01 . 2 . . . . 125 PRO HG3 . 25527 1 756 . 1 1 62 62 PRO HD2 H 1 3.39 0.01 . 2 . . . . 125 PRO HD2 . 25527 1 757 . 1 1 62 62 PRO HD3 H 1 2.45 0.01 . 2 . . . . 125 PRO HD3 . 25527 1 758 . 1 1 62 62 PRO C C 13 176.49 0.1 . 1 . . . . 125 PRO C . 25527 1 759 . 1 1 62 62 PRO CA C 13 62.61 0.1 . 1 . . . . 125 PRO CA . 25527 1 760 . 1 1 62 62 PRO CB C 13 31.97 0.1 . 1 . . . . 125 PRO CB . 25527 1 761 . 1 1 62 62 PRO CG C 13 26.98 0.1 . 1 . . . . 125 PRO CG . 25527 1 762 . 1 1 62 62 PRO CD C 13 50.00 0.1 . 1 . . . . 125 PRO CD . 25527 1 763 . 1 1 63 63 ALA H H 1 8.45 0.01 . 1 . . . . 126 Ala H . 25527 1 764 . 1 1 63 63 ALA HA H 1 4.11 0.01 . 1 . . . . 126 Ala HA . 25527 1 765 . 1 1 63 63 ALA HB1 H 1 1.40 0.01 . 1 . . . . 126 Ala HB1 . 25527 1 766 . 1 1 63 63 ALA HB2 H 1 1.40 0.01 . 1 . . . . 126 Ala HB2 . 25527 1 767 . 1 1 63 63 ALA HB3 H 1 1.40 0.01 . 1 . . . . 126 Ala HB3 . 25527 1 768 . 1 1 63 63 ALA C C 13 177.71 0.1 . 1 . . . . 126 Ala C . 25527 1 769 . 1 1 63 63 ALA CA C 13 54.38 0.1 . 1 . . . . 126 Ala CA . 25527 1 770 . 1 1 63 63 ALA CB C 13 18.32 0.1 . 1 . . . . 126 Ala CB . 25527 1 771 . 1 1 63 63 ALA N N 15 121.43 0.2 . 1 . . . . 126 Ala N . 25527 1 772 . 1 1 64 64 ASP H H 1 8.16 0.01 . 1 . . . . 127 ASP H . 25527 1 773 . 1 1 64 64 ASP HA H 1 4.51 0.01 . 1 . . . . 127 ASP HA . 25527 1 774 . 1 1 64 64 ASP HB2 H 1 3.12 0.01 . 2 . . . . 127 ASP HB2 . 25527 1 775 . 1 1 64 64 ASP HB3 H 1 2.46 0.01 . 2 . . . . 127 ASP HB3 . 25527 1 776 . 1 1 64 64 ASP C C 13 173.80 0.1 . 1 . . . . 127 ASP C . 25527 1 777 . 1 1 64 64 ASP CA C 13 52.81 0.1 . 1 . . . . 127 ASP CA . 25527 1 778 . 1 1 64 64 ASP CB C 13 38.82 0.1 . 1 . . . . 127 ASP CB . 25527 1 779 . 1 1 64 64 ASP N N 15 113.06 0.2 . 1 . . . . 127 ASP N . 25527 1 780 . 1 1 65 65 VAL H H 1 7.46 0.01 . 1 . . . . 128 VAL H . 25527 1 781 . 1 1 65 65 VAL HA H 1 4.12 0.01 . 1 . . . . 128 VAL HA . 25527 1 782 . 1 1 65 65 VAL HB H 1 2.09 0.01 . 1 . . . . 128 VAL HB . 25527 1 783 . 1 1 65 65 VAL HG11 H 1 0.94 0.01 . 2 . . . . 128 VAL HG11 . 25527 1 784 . 1 1 65 65 VAL HG12 H 1 0.94 0.01 . 2 . . . . 128 VAL HG12 . 25527 1 785 . 1 1 65 65 VAL HG13 H 1 0.94 0.01 . 2 . . . . 128 VAL HG13 . 25527 1 786 . 1 1 65 65 VAL HG21 H 1 0.56 0.01 . 2 . . . . 128 VAL HG21 . 25527 1 787 . 1 1 65 65 VAL HG22 H 1 0.56 0.01 . 2 . . . . 128 VAL HG22 . 25527 1 788 . 1 1 65 65 VAL HG23 H 1 0.56 0.01 . 2 . . . . 128 VAL HG23 . 25527 1 789 . 1 1 65 65 VAL C C 13 174.32 0.1 . 1 . . . . 128 VAL C . 25527 1 790 . 1 1 65 65 VAL CA C 13 61.20 0.1 . 1 . . . . 128 VAL CA . 25527 1 791 . 1 1 65 65 VAL CB C 13 32.75 0.1 . 1 . . . . 128 VAL CB . 25527 1 792 . 1 1 65 65 VAL CG1 C 13 21.35 0.1 . 2 . . . . 128 VAL CG1 . 25527 1 793 . 1 1 65 65 VAL CG2 C 13 20.55 0.1 . 2 . . . . 128 VAL CG2 . 25527 1 794 . 1 1 65 65 VAL N N 15 119.97 0.2 . 1 . . . . 128 VAL N . 25527 1 795 . 1 1 66 66 ASP H H 1 8.78 0.01 . 1 . . . . 129 ASP H . 25527 1 796 . 1 1 66 66 ASP HA H 1 4.83 0.01 . 1 . . . . 129 ASP HA . 25527 1 797 . 1 1 66 66 ASP HB2 H 1 2.88 0.01 . 2 . . . . 129 ASP HB2 . 25527 1 798 . 1 1 66 66 ASP HB3 H 1 2.49 0.01 . 2 . . . . 129 ASP HB3 . 25527 1 799 . 1 1 66 66 ASP CA C 13 51.10 0.1 . 1 . . . . 129 ASP CA . 25527 1 800 . 1 1 66 66 ASP CB C 13 41.40 0.1 . 1 . . . . 129 ASP CB . 25527 1 801 . 1 1 66 66 ASP N N 15 127.56 0.2 . 1 . . . . 129 ASP N . 25527 1 802 . 1 1 67 67 PRO HA H 1 4.18 0.01 . 1 . . . . 130 PRO HA . 25527 1 803 . 1 1 67 67 PRO HB2 H 1 2.39 0.01 . 1 . . . . 130 PRO HB2 . 25527 1 804 . 1 1 67 67 PRO HB3 H 1 2.39 0.01 . 1 . . . . 130 PRO HB3 . 25527 1 805 . 1 1 67 67 PRO HG2 H 1 2.10 0.01 . 1 . . . . 130 PRO HG2 . 25527 1 806 . 1 1 67 67 PRO HG3 H 1 2.10 0.01 . 1 . . . . 130 PRO HG3 . 25527 1 807 . 1 1 67 67 PRO HD2 H 1 3.68 0.01 . 1 . . . . 130 PRO HD2 . 25527 1 808 . 1 1 67 67 PRO HD3 H 1 3.68 0.01 . 1 . . . . 130 PRO HD3 . 25527 1 809 . 1 1 67 67 PRO C C 13 177.80 0.1 . 1 . . . . 130 PRO C . 25527 1 810 . 1 1 67 67 PRO CA C 13 64.57 0.1 . 1 . . . . 130 PRO CA . 25527 1 811 . 1 1 67 67 PRO CB C 13 32.66 0.1 . 1 . . . . 130 PRO CB . 25527 1 812 . 1 1 67 67 PRO CG C 13 27.17 0.1 . 1 . . . . 130 PRO CG . 25527 1 813 . 1 1 68 68 LEU H H 1 8.35 0.01 . 1 . . . . 131 LEU H . 25527 1 814 . 1 1 68 68 LEU HA H 1 4.25 0.01 . 1 . . . . 131 LEU HA . 25527 1 815 . 1 1 68 68 LEU HB2 H 1 1.63 0.01 . 1 . . . . 131 LEU HB2 . 25527 1 816 . 1 1 68 68 LEU HB3 H 1 1.63 0.01 . 1 . . . . 131 LEU HB3 . 25527 1 817 . 1 1 68 68 LEU HG H 1 1.37 0.01 . 1 . . . . 131 LEU HG . 25527 1 818 . 1 1 68 68 LEU HD11 H 1 0.98 0.01 . 2 . . . . 131 LEU HD11 . 25527 1 819 . 1 1 68 68 LEU HD12 H 1 0.98 0.01 . 2 . . . . 131 LEU HD12 . 25527 1 820 . 1 1 68 68 LEU HD13 H 1 0.98 0.01 . 2 . . . . 131 LEU HD13 . 25527 1 821 . 1 1 68 68 LEU HD21 H 1 0.86 0.01 . 2 . . . . 131 LEU HD21 . 25527 1 822 . 1 1 68 68 LEU HD22 H 1 0.86 0.01 . 2 . . . . 131 LEU HD22 . 25527 1 823 . 1 1 68 68 LEU HD23 H 1 0.86 0.01 . 2 . . . . 131 LEU HD23 . 25527 1 824 . 1 1 68 68 LEU C C 13 178.82 0.1 . 1 . . . . 131 LEU C . 25527 1 825 . 1 1 68 68 LEU CA C 13 56.29 0.1 . 1 . . . . 131 LEU CA . 25527 1 826 . 1 1 68 68 LEU CB C 13 40.29 0.1 . 1 . . . . 131 LEU CB . 25527 1 827 . 1 1 68 68 LEU CG C 13 24.46 0.1 . 1 . . . . 131 LEU CG . 25527 1 828 . 1 1 68 68 LEU CD1 C 13 21.98 0.1 . 1 . . . . 131 LEU CD1 . 25527 1 829 . 1 1 68 68 LEU CD2 C 13 21.98 0.1 . 1 . . . . 131 LEU CD2 . 25527 1 830 . 1 1 68 68 LEU N N 15 115.01 0.2 . 1 . . . . 131 LEU N . 25527 1 831 . 1 1 69 69 THR H H 1 8.02 0.01 . 1 . . . . 132 THR H . 25527 1 832 . 1 1 69 69 THR HA H 1 4.48 0.01 . 1 . . . . 132 THR HA . 25527 1 833 . 1 1 69 69 THR HB H 1 4.54 0.01 . 1 . . . . 132 THR HB . 25527 1 834 . 1 1 69 69 THR HG1 H 1 5.90 0.01 . 1 . . . . 132 THR HG1 . 25527 1 835 . 1 1 69 69 THR HG21 H 1 1.15 0.01 . 1 . . . . 132 THR HG21 . 25527 1 836 . 1 1 69 69 THR HG22 H 1 1.15 0.01 . 1 . . . . 132 THR HG22 . 25527 1 837 . 1 1 69 69 THR HG23 H 1 1.15 0.01 . 1 . . . . 132 THR HG23 . 25527 1 838 . 1 1 69 69 THR C C 13 173.77 0.1 . 1 . . . . 132 THR C . 25527 1 839 . 1 1 69 69 THR CA C 13 60.57 0.1 . 1 . . . . 132 THR CA . 25527 1 840 . 1 1 69 69 THR CB C 13 69.42 0.1 . 1 . . . . 132 THR CB . 25527 1 841 . 1 1 69 69 THR CG2 C 13 21.82 0.1 . 1 . . . . 132 THR CG2 . 25527 1 842 . 1 1 69 69 THR N N 15 107.06 0.2 . 1 . . . . 132 THR N . 25527 1 843 . 1 1 70 70 ILE H H 1 6.92 0.01 . 1 . . . . 133 ILE H . 25527 1 844 . 1 1 70 70 ILE HA H 1 4.78 0.01 . 1 . . . . 133 ILE HA . 25527 1 845 . 1 1 70 70 ILE HB H 1 2.14 0.01 . 1 . . . . 133 ILE HB . 25527 1 846 . 1 1 70 70 ILE HG12 H 1 1.22 0.01 . 1 . . . . 133 ILE HG12 . 25527 1 847 . 1 1 70 70 ILE HG13 H 1 1.22 0.01 . 1 . . . . 133 ILE HG13 . 25527 1 848 . 1 1 70 70 ILE HG21 H 1 0.91 0.01 . 1 . . . . 133 ILE HG21 . 25527 1 849 . 1 1 70 70 ILE HG22 H 1 0.91 0.01 . 1 . . . . 133 ILE HG22 . 25527 1 850 . 1 1 70 70 ILE HG23 H 1 0.91 0.01 . 1 . . . . 133 ILE HG23 . 25527 1 851 . 1 1 70 70 ILE HD11 H 1 0.78 0.01 . 1 . . . . 133 ILE HD11 . 25527 1 852 . 1 1 70 70 ILE HD12 H 1 0.78 0.01 . 1 . . . . 133 ILE HD12 . 25527 1 853 . 1 1 70 70 ILE HD13 H 1 0.78 0.01 . 1 . . . . 133 ILE HD13 . 25527 1 854 . 1 1 70 70 ILE C C 13 176.74 0.1 . 1 . . . . 133 ILE C . 25527 1 855 . 1 1 70 70 ILE CA C 13 59.95 0.1 . 1 . . . . 133 ILE CA . 25527 1 856 . 1 1 70 70 ILE CB C 13 36.93 0.1 . 1 . . . . 133 ILE CB . 25527 1 857 . 1 1 70 70 ILE CG1 C 13 27.40 0.1 . 1 . . . . 133 ILE CG1 . 25527 1 858 . 1 1 70 70 ILE CG2 C 13 17.76 0.1 . 1 . . . . 133 ILE CG2 . 25527 1 859 . 1 1 70 70 ILE CD1 C 13 13.10 0.1 . 1 . . . . 133 ILE CD1 . 25527 1 860 . 1 1 70 70 ILE N N 15 122.06 0.2 . 1 . . . . 133 ILE N . 25527 1 861 . 1 1 71 71 THR H H 1 9.18 0.01 . 1 . . . . 134 THR H . 25527 1 862 . 1 1 71 71 THR HA H 1 4.76 0.01 . 1 . . . . 134 THR HA . 25527 1 863 . 1 1 71 71 THR HB H 1 4.28 0.01 . 1 . . . . 134 THR HB . 25527 1 864 . 1 1 71 71 THR HG21 H 1 1.19 0.01 . 1 . . . . 134 THR HG21 . 25527 1 865 . 1 1 71 71 THR HG22 H 1 1.19 0.01 . 1 . . . . 134 THR HG22 . 25527 1 866 . 1 1 71 71 THR HG23 H 1 1.19 0.01 . 1 . . . . 134 THR HG23 . 25527 1 867 . 1 1 71 71 THR C C 13 172.29 0.1 . 1 . . . . 134 THR C . 25527 1 868 . 1 1 71 71 THR CA C 13 60.28 0.1 . 1 . . . . 134 THR CA . 25527 1 869 . 1 1 71 71 THR CB C 13 72.19 0.1 . 1 . . . . 134 THR CB . 25527 1 870 . 1 1 71 71 THR CG2 C 13 21.14 0.1 . 1 . . . . 134 THR CG2 . 25527 1 871 . 1 1 71 71 THR N N 15 120.16 0.2 . 1 . . . . 134 THR N . 25527 1 872 . 1 1 72 72 SER H H 1 8.41 0.01 . 1 . . . . 135 SER H . 25527 1 873 . 1 1 72 72 SER HA H 1 5.62 0.01 . 1 . . . . 135 SER HA . 25527 1 874 . 1 1 72 72 SER HB2 H 1 3.72 0.01 . 2 . . . . 135 SER HB2 . 25527 1 875 . 1 1 72 72 SER HB3 H 1 3.64 0.01 . 2 . . . . 135 SER HB3 . 25527 1 876 . 1 1 72 72 SER C C 13 173.69 0.1 . 1 . . . . 135 SER C . 25527 1 877 . 1 1 72 72 SER CA C 13 57.02 0.1 . 1 . . . . 135 SER CA . 25527 1 878 . 1 1 72 72 SER CB C 13 67.06 0.1 . 1 . . . . 135 SER CB . 25527 1 879 . 1 1 72 72 SER N N 15 113.28 0.2 . 1 . . . . 135 SER N . 25527 1 880 . 1 1 73 73 SER H H 1 8.85 0.01 . 1 . . . . 136 SER H . 25527 1 881 . 1 1 73 73 SER HA H 1 4.67 0.01 . 1 . . . . 136 SER HA . 25527 1 882 . 1 1 73 73 SER HB2 H 1 3.30 0.01 . 2 . . . . 136 SER HB2 . 25527 1 883 . 1 1 73 73 SER HB3 H 1 3.02 0.01 . 2 . . . . 136 SER HB3 . 25527 1 884 . 1 1 73 73 SER C C 13 171.51 0.1 . 1 . . . . 136 SER C . 25527 1 885 . 1 1 73 73 SER CA C 13 57.78 0.1 . 1 . . . . 136 SER CA . 25527 1 886 . 1 1 73 73 SER CB C 13 65.29 0.1 . 1 . . . . 136 SER CB . 25527 1 887 . 1 1 73 73 SER N N 15 114.66 0.2 . 1 . . . . 136 SER N . 25527 1 888 . 1 1 74 74 LEU H H 1 8.61 0.01 . 1 . . . . 137 LEU H . 25527 1 889 . 1 1 74 74 LEU HA H 1 5.20 0.01 . 1 . . . . 137 LEU HA . 25527 1 890 . 1 1 74 74 LEU HB2 H 1 1.80 0.01 . 1 . . . . 137 LEU HB2 . 25527 1 891 . 1 1 74 74 LEU HB3 H 1 1.80 0.01 . 1 . . . . 137 LEU HB3 . 25527 1 892 . 1 1 74 74 LEU HG H 1 1.60 0.01 . 1 . . . . 137 LEU HG . 25527 1 893 . 1 1 74 74 LEU HD11 H 1 0.79 0.01 . 1 . . . . 137 LEU HD11 . 25527 1 894 . 1 1 74 74 LEU HD12 H 1 0.79 0.01 . 1 . . . . 137 LEU HD12 . 25527 1 895 . 1 1 74 74 LEU HD13 H 1 0.79 0.01 . 1 . . . . 137 LEU HD13 . 25527 1 896 . 1 1 74 74 LEU HD21 H 1 0.79 0.01 . 1 . . . . 137 LEU HD21 . 25527 1 897 . 1 1 74 74 LEU HD22 H 1 0.79 0.01 . 1 . . . . 137 LEU HD22 . 25527 1 898 . 1 1 74 74 LEU HD23 H 1 0.79 0.01 . 1 . . . . 137 LEU HD23 . 25527 1 899 . 1 1 74 74 LEU C C 13 176.57 0.1 . 1 . . . . 137 LEU C . 25527 1 900 . 1 1 74 74 LEU CA C 13 53.21 0.1 . 1 . . . . 137 LEU CA . 25527 1 901 . 1 1 74 74 LEU CB C 13 43.86 0.1 . 1 . . . . 137 LEU CB . 25527 1 902 . 1 1 74 74 LEU CG C 13 25.30 0.1 . 1 . . . . 137 LEU CG . 25527 1 903 . 1 1 74 74 LEU CD1 C 13 23.77 0.1 . 2 . . . . 137 LEU CD1 . 25527 1 904 . 1 1 74 74 LEU CD2 C 13 23.15 0.1 . 2 . . . . 137 LEU CD2 . 25527 1 905 . 1 1 74 74 LEU N N 15 126.37 0.2 . 1 . . . . 137 LEU N . 25527 1 906 . 1 1 75 75 SER H H 1 8.91 0.01 . 1 . . . . 138 SER H . 25527 1 907 . 1 1 75 75 SER HA H 1 4.72 0.01 . 1 . . . . 138 SER HA . 25527 1 908 . 1 1 75 75 SER HB2 H 1 3.83 0.01 . 1 . . . . 138 SER HB2 . 25527 1 909 . 1 1 75 75 SER HB3 H 1 3.83 0.01 . 1 . . . . 138 SER HB3 . 25527 1 910 . 1 1 75 75 SER C C 13 173.77 0.1 . 1 . . . . 138 SER C . 25527 1 911 . 1 1 75 75 SER CA C 13 57.24 0.1 . 1 . . . . 138 SER CA . 25527 1 912 . 1 1 75 75 SER CB C 13 63.93 0.1 . 1 . . . . 138 SER CB . 25527 1 913 . 1 1 75 75 SER N N 15 122.88 0.2 . 1 . . . . 138 SER N . 25527 1 914 . 1 1 76 76 SER HA H 1 4.83 0.01 . 1 . . . . 139 SER HA . 25527 1 915 . 1 1 76 76 SER HB2 H 1 4.08 0.01 . 2 . . . . 139 SER HB2 . 25527 1 916 . 1 1 76 76 SER HB3 H 1 3.98 0.01 . 2 . . . . 139 SER HB3 . 25527 1 917 . 1 1 76 76 SER C C 13 174.62 0.1 . 1 . . . . 139 SER C . 25527 1 918 . 1 1 76 76 SER CA C 13 62.60 0.1 . 1 . . . . 139 SER CA . 25527 1 919 . 1 1 76 76 SER CB C 13 63.10 0.1 . 1 . . . . 139 SER CB . 25527 1 920 . 1 1 77 77 ASP H H 1 8.05 0.01 . 1 . . . . 140 ASP H . 25527 1 921 . 1 1 77 77 ASP HA H 1 4.79 0.01 . 1 . . . . 140 ASP HA . 25527 1 922 . 1 1 77 77 ASP HB2 H 1 2.65 0.01 . 1 . . . . 140 ASP HB2 . 25527 1 923 . 1 1 77 77 ASP HB3 H 1 2.65 0.01 . 1 . . . . 140 ASP HB3 . 25527 1 924 . 1 1 77 77 ASP C C 13 176.03 0.1 . 1 . . . . 140 ASP C . 25527 1 925 . 1 1 77 77 ASP CA C 13 53.13 0.1 . 1 . . . . 140 ASP CA . 25527 1 926 . 1 1 77 77 ASP CB C 13 40.45 0.1 . 1 . . . . 140 ASP CB . 25527 1 927 . 1 1 77 77 ASP N N 15 117.57 0.2 . 1 . . . . 140 ASP N . 25527 1 928 . 1 1 78 78 GLY H H 1 7.86 0.01 . 1 . . . . 141 GLY H . 25527 1 929 . 1 1 78 78 GLY HA2 H 1 4.00 0.01 . 2 . . . . 141 GLY HA2 . 25527 1 930 . 1 1 78 78 GLY HA3 H 1 3.60 0.01 . 2 . . . . 141 GLY HA3 . 25527 1 931 . 1 1 78 78 GLY C C 13 172.02 0.1 . 1 . . . . 141 GLY C . 25527 1 932 . 1 1 78 78 GLY CA C 13 47.11 0.1 . 1 . . . . 141 GLY CA . 25527 1 933 . 1 1 78 78 GLY N N 15 107.87 0.2 . 1 . . . . 141 GLY N . 25527 1 934 . 1 1 79 79 VAL H H 1 7.56 0.01 . 1 . . . . 142 VAL H . 25527 1 935 . 1 1 79 79 VAL HA H 1 4.51 0.01 . 1 . . . . 142 VAL HA . 25527 1 936 . 1 1 79 79 VAL HB H 1 1.91 0.01 . 1 . . . . 142 VAL HB . 25527 1 937 . 1 1 79 79 VAL HG11 H 1 0.70 0.01 . 1 . . . . 142 VAL HG11 . 25527 1 938 . 1 1 79 79 VAL HG12 H 1 0.70 0.01 . 1 . . . . 142 VAL HG12 . 25527 1 939 . 1 1 79 79 VAL HG13 H 1 0.70 0.01 . 1 . . . . 142 VAL HG13 . 25527 1 940 . 1 1 79 79 VAL HG21 H 1 0.70 0.01 . 1 . . . . 142 VAL HG21 . 25527 1 941 . 1 1 79 79 VAL HG22 H 1 0.70 0.01 . 1 . . . . 142 VAL HG22 . 25527 1 942 . 1 1 79 79 VAL HG23 H 1 0.70 0.01 . 1 . . . . 142 VAL HG23 . 25527 1 943 . 1 1 79 79 VAL C C 13 176.02 0.1 . 1 . . . . 142 VAL C . 25527 1 944 . 1 1 79 79 VAL CA C 13 61.65 0.1 . 1 . . . . 142 VAL CA . 25527 1 945 . 1 1 79 79 VAL CB C 13 32.44 0.1 . 1 . . . . 142 VAL CB . 25527 1 946 . 1 1 79 79 VAL CG1 C 13 20.97 0.1 . 2 . . . . 142 VAL CG1 . 25527 1 947 . 1 1 79 79 VAL CG2 C 13 20.40 0.1 . 2 . . . . 142 VAL CG2 . 25527 1 948 . 1 1 79 79 VAL N N 15 118.04 0.2 . 1 . . . . 142 VAL N . 25527 1 949 . 1 1 80 80 LEU H H 1 9.46 0.01 . 1 . . . . 143 LEU H . 25527 1 950 . 1 1 80 80 LEU HA H 1 5.11 0.01 . 1 . . . . 143 LEU HA . 25527 1 951 . 1 1 80 80 LEU HB2 H 1 2.01 0.01 . 2 . . . . 143 LEU HB2 . 25527 1 952 . 1 1 80 80 LEU HB3 H 1 1.44 0.01 . 2 . . . . 143 LEU HB3 . 25527 1 953 . 1 1 80 80 LEU HG H 1 1.35 0.01 . 1 . . . . 143 LEU HG . 25527 1 954 . 1 1 80 80 LEU HD11 H 1 0.89 0.01 . 2 . . . . 143 LEU HD11 . 25527 1 955 . 1 1 80 80 LEU HD12 H 1 0.89 0.01 . 2 . . . . 143 LEU HD12 . 25527 1 956 . 1 1 80 80 LEU HD13 H 1 0.89 0.01 . 2 . . . . 143 LEU HD13 . 25527 1 957 . 1 1 80 80 LEU HD21 H 1 0.80 0.01 . 2 . . . . 143 LEU HD21 . 25527 1 958 . 1 1 80 80 LEU HD22 H 1 0.80 0.01 . 2 . . . . 143 LEU HD22 . 25527 1 959 . 1 1 80 80 LEU HD23 H 1 0.80 0.01 . 2 . . . . 143 LEU HD23 . 25527 1 960 . 1 1 80 80 LEU C C 13 174.99 0.1 . 1 . . . . 143 LEU C . 25527 1 961 . 1 1 80 80 LEU CA C 13 55.81 0.1 . 1 . . . . 143 LEU CA . 25527 1 962 . 1 1 80 80 LEU CB C 13 43.82 0.1 . 1 . . . . 143 LEU CB . 25527 1 963 . 1 1 80 80 LEU CG C 13 26.54 0.1 . 1 . . . . 143 LEU CG . 25527 1 964 . 1 1 80 80 LEU CD1 C 13 23.53 0.1 . 2 . . . . 143 LEU CD1 . 25527 1 965 . 1 1 80 80 LEU CD2 C 13 23.11 0.1 . 2 . . . . 143 LEU CD2 . 25527 1 966 . 1 1 80 80 LEU N N 15 134.43 0.2 . 1 . . . . 143 LEU N . 25527 1 967 . 1 1 81 81 THR H H 1 9.30 0.01 . 1 . . . . 144 THR H . 25527 1 968 . 1 1 81 81 THR HA H 1 5.26 0.01 . 1 . . . . 144 THR HA . 25527 1 969 . 1 1 81 81 THR HB H 1 3.75 0.01 . 1 . . . . 144 THR HB . 25527 1 970 . 1 1 81 81 THR HG1 H 1 5.62 0.01 . 1 . . . . 144 THR HG1 . 25527 1 971 . 1 1 81 81 THR HG21 H 1 1.01 0.01 . 1 . . . . 144 THR HG21 . 25527 1 972 . 1 1 81 81 THR HG22 H 1 1.01 0.01 . 1 . . . . 144 THR HG22 . 25527 1 973 . 1 1 81 81 THR HG23 H 1 1.01 0.01 . 1 . . . . 144 THR HG23 . 25527 1 974 . 1 1 81 81 THR C C 13 173.98 0.1 . 1 . . . . 144 THR C . 25527 1 975 . 1 1 81 81 THR CA C 13 61.62 0.1 . 1 . . . . 144 THR CA . 25527 1 976 . 1 1 81 81 THR CB C 13 70.68 0.1 . 1 . . . . 144 THR CB . 25527 1 977 . 1 1 81 81 THR CG2 C 13 21.26 0.1 . 1 . . . . 144 THR CG2 . 25527 1 978 . 1 1 81 81 THR N N 15 123.82 0.2 . 1 . . . . 144 THR N . 25527 1 979 . 1 1 82 82 VAL H H 1 8.82 0.01 . 1 . . . . 145 VAL H . 25527 1 980 . 1 1 82 82 VAL HA H 1 4.76 0.01 . 1 . . . . 145 VAL HA . 25527 1 981 . 1 1 82 82 VAL HB H 1 1.70 0.01 . 1 . . . . 145 VAL HB . 25527 1 982 . 1 1 82 82 VAL HG11 H 1 0.82 0.01 . 2 . . . . 145 VAL HG11 . 25527 1 983 . 1 1 82 82 VAL HG12 H 1 0.82 0.01 . 2 . . . . 145 VAL HG12 . 25527 1 984 . 1 1 82 82 VAL HG13 H 1 0.82 0.01 . 2 . . . . 145 VAL HG13 . 25527 1 985 . 1 1 82 82 VAL HG21 H 1 0.65 0.01 . 2 . . . . 145 VAL HG21 . 25527 1 986 . 1 1 82 82 VAL HG22 H 1 0.65 0.01 . 2 . . . . 145 VAL HG22 . 25527 1 987 . 1 1 82 82 VAL HG23 H 1 0.65 0.01 . 2 . . . . 145 VAL HG23 . 25527 1 988 . 1 1 82 82 VAL C C 13 173.52 0.1 . 1 . . . . 145 VAL C . 25527 1 989 . 1 1 82 82 VAL CA C 13 61.16 0.1 . 1 . . . . 145 VAL CA . 25527 1 990 . 1 1 82 82 VAL CB C 13 32.45 0.1 . 1 . . . . 145 VAL CB . 25527 1 991 . 1 1 82 82 VAL CG1 C 13 21.86 0.1 . 2 . . . . 145 VAL CG1 . 25527 1 992 . 1 1 82 82 VAL CG2 C 13 20.39 0.1 . 2 . . . . 145 VAL CG2 . 25527 1 993 . 1 1 82 82 VAL N N 15 127.57 0.2 . 1 . . . . 145 VAL N . 25527 1 994 . 1 1 83 83 ASP H H 1 9.04 0.01 . 1 . . . . 146 ASP H . 25527 1 995 . 1 1 83 83 ASP HA H 1 5.40 0.01 . 1 . . . . 146 ASP HA . 25527 1 996 . 1 1 83 83 ASP HB2 H 1 2.56 0.01 . 2 . . . . 146 ASP HB2 . 25527 1 997 . 1 1 83 83 ASP HB3 H 1 2.37 0.01 . 2 . . . . 146 ASP HB3 . 25527 1 998 . 1 1 83 83 ASP C C 13 174.79 0.1 . 1 . . . . 146 ASP C . 25527 1 999 . 1 1 83 83 ASP CA C 13 53.00 0.1 . 1 . . . . 146 ASP CA . 25527 1 1000 . 1 1 83 83 ASP CB C 13 46.03 0.1 . 1 . . . . 146 ASP CB . 25527 1 1001 . 1 1 83 83 ASP N N 15 122.24 0.2 . 1 . . . . 146 ASP N . 25527 1 1002 . 1 1 84 84 GLY H H 1 8.56 0.01 . 1 . . . . 147 GLY H . 25527 1 1003 . 1 1 84 84 GLY HA2 H 1 4.60 0.01 . 2 . . . . 147 GLY HA2 . 25527 1 1004 . 1 1 84 84 GLY HA3 H 1 3.65 0.01 . 2 . . . . 147 GLY HA3 . 25527 1 1005 . 1 1 84 84 GLY CA C 13 45.41 0.1 . 1 . . . . 147 GLY CA . 25527 1 1006 . 1 1 84 84 GLY N N 15 106.47 0.2 . 1 . . . . 147 GLY N . 25527 1 1007 . 1 1 85 85 PRO HA H 1 4.37 0.01 . 1 . . . . 148 PRO HA . 25527 1 1008 . 1 1 85 85 PRO HB2 H 1 2.30 0.01 . 1 . . . . 148 PRO HB2 . 25527 1 1009 . 1 1 85 85 PRO HB3 H 1 2.30 0.01 . 1 . . . . 148 PRO HB3 . 25527 1 1010 . 1 1 85 85 PRO HG2 H 1 1.87 0.01 . 1 . . . . 148 PRO HG2 . 25527 1 1011 . 1 1 85 85 PRO HG3 H 1 1.87 0.01 . 1 . . . . 148 PRO HG3 . 25527 1 1012 . 1 1 85 85 PRO HD2 H 1 3.83 0.01 . 1 . . . . 148 PRO HD2 . 25527 1 1013 . 1 1 85 85 PRO HD3 H 1 3.83 0.01 . 1 . . . . 148 PRO HD3 . 25527 1 1014 . 1 1 85 85 PRO C C 13 176.62 0.1 . 1 . . . . 148 PRO C . 25527 1 1015 . 1 1 85 85 PRO CA C 13 62.07 0.1 . 1 . . . . 148 PRO CA . 25527 1 1016 . 1 1 85 85 PRO CB C 13 31.95 0.1 . 1 . . . . 148 PRO CB . 25527 1 1017 . 1 1 85 85 PRO CG C 13 25.47 0.1 . 1 . . . . 148 PRO CG . 25527 1 1018 . 1 1 86 86 ARG H H 1 8.09 0.01 . 1 . . . . 149 ARG H . 25527 1 1019 . 1 1 86 86 ARG HA H 1 4.12 0.01 . 1 . . . . 149 ARG HA . 25527 1 1020 . 1 1 86 86 ARG HB2 H 1 1.79 0.01 . 1 . . . . 149 ARG HB2 . 25527 1 1021 . 1 1 86 86 ARG HB3 H 1 1.79 0.01 . 1 . . . . 149 ARG HB3 . 25527 1 1022 . 1 1 86 86 ARG HG2 H 1 1.57 0.01 . 1 . . . . 149 ARG HG2 . 25527 1 1023 . 1 1 86 86 ARG HG3 H 1 1.57 0.01 . 1 . . . . 149 ARG HG3 . 25527 1 1024 . 1 1 86 86 ARG HD2 H 1 3.18 0.01 . 1 . . . . 149 ARG HD2 . 25527 1 1025 . 1 1 86 86 ARG HD3 H 1 3.18 0.01 . 1 . . . . 149 ARG HD3 . 25527 1 1026 . 1 1 86 86 ARG C C 13 176.84 0.1 . 1 . . . . 149 ARG C . 25527 1 1027 . 1 1 86 86 ARG CA C 13 54.54 0.1 . 1 . . . . 149 ARG CA . 25527 1 1028 . 1 1 86 86 ARG CB C 13 30.89 0.1 . 1 . . . . 149 ARG CB . 25527 1 1029 . 1 1 86 86 ARG CG C 13 27.23 0.1 . 1 . . . . 149 ARG CG . 25527 1 1030 . 1 1 86 86 ARG CD C 13 43.45 0.1 . 1 . . . . 149 ARG CD . 25527 1 1031 . 1 1 86 86 ARG N N 15 119.79 0.2 . 1 . . . . 149 ARG N . 25527 1 1032 . 1 1 87 87 LYS H H 1 8.89 0.01 . 1 . . . . 150 LYS H . 25527 1 1033 . 1 1 87 87 LYS HA H 1 4.28 0.01 . 1 . . . . 150 LYS HA . 25527 1 1034 . 1 1 87 87 LYS HB2 H 1 1.84 0.01 . 1 . . . . 150 LYS HB2 . 25527 1 1035 . 1 1 87 87 LYS HB3 H 1 1.84 0.01 . 1 . . . . 150 LYS HB3 . 25527 1 1036 . 1 1 87 87 LYS HG2 H 1 1.39 0.01 . 1 . . . . 150 LYS HG2 . 25527 1 1037 . 1 1 87 87 LYS HG3 H 1 1.39 0.01 . 1 . . . . 150 LYS HG3 . 25527 1 1038 . 1 1 87 87 LYS HD2 H 1 1.70 0.01 . 1 . . . . 150 LYS HD2 . 25527 1 1039 . 1 1 87 87 LYS HD3 H 1 1.70 0.01 . 1 . . . . 150 LYS HD3 . 25527 1 1040 . 1 1 87 87 LYS HE2 H 1 3.10 0.01 . 1 . . . . 150 LYS HE2 . 25527 1 1041 . 1 1 87 87 LYS HE3 H 1 3.10 0.01 . 1 . . . . 150 LYS HE3 . 25527 1 1042 . 1 1 87 87 LYS C C 13 176.17 0.1 . 1 . . . . 150 LYS C . 25527 1 1043 . 1 1 87 87 LYS CA C 13 56.65 0.1 . 1 . . . . 150 LYS CA . 25527 1 1044 . 1 1 87 87 LYS CB C 13 32.81 0.1 . 1 . . . . 150 LYS CB . 25527 1 1045 . 1 1 87 87 LYS CG C 13 24.25 0.1 . 1 . . . . 150 LYS CG . 25527 1 1046 . 1 1 87 87 LYS CD C 13 28.76 0.1 . 1 . . . . 150 LYS CD . 25527 1 1047 . 1 1 87 87 LYS CE C 13 42.06 0.1 . 1 . . . . 150 LYS CE . 25527 1 1048 . 1 1 87 87 LYS N N 15 123.86 0.2 . 1 . . . . 150 LYS N . 25527 1 1049 . 1 1 88 88 GLN H H 1 8.60 0.01 . 1 . . . . 151 GLN H . 25527 1 1050 . 1 1 88 88 GLN HA H 1 4.43 0.01 . 1 . . . . 151 GLN HA . 25527 1 1051 . 1 1 88 88 GLN HB2 H 1 1.96 0.01 . 1 . . . . 151 GLN HB2 . 25527 1 1052 . 1 1 88 88 GLN HB3 H 1 1.96 0.01 . 1 . . . . 151 GLN HB3 . 25527 1 1053 . 1 1 88 88 GLN HG2 H 1 2.14 0.01 . 1 . . . . 151 GLN HG2 . 25527 1 1054 . 1 1 88 88 GLN HG3 H 1 2.14 0.01 . 1 . . . . 151 GLN HG3 . 25527 1 1055 . 1 1 88 88 GLN HE21 H 1 7.44 0.01 . 1 . . . . 151 GLN HE21 . 25527 1 1056 . 1 1 88 88 GLN HE22 H 1 6.75 0.01 . 1 . . . . 151 GLN HE22 . 25527 1 1057 . 1 1 88 88 GLN C C 13 175.17 0.1 . 1 . . . . 151 GLN C . 25527 1 1058 . 1 1 88 88 GLN CA C 13 55.72 0.1 . 1 . . . . 151 GLN CA . 25527 1 1059 . 1 1 88 88 GLN CB C 13 29.37 0.1 . 1 . . . . 151 GLN CB . 25527 1 1060 . 1 1 88 88 GLN CG C 13 33.73 0.1 . 1 . . . . 151 GLN CG . 25527 1 1061 . 1 1 88 88 GLN N N 15 123.11 0.2 . 1 . . . . 151 GLN N . 25527 1 1062 . 1 1 88 88 GLN NE2 N 15 111.40 0.2 . 1 . . . . 151 GLN NE2 . 25527 1 1063 . 1 1 89 89 VAL H H 1 7.86 0.01 . 1 . . . . 152 VAL H . 25527 1 1064 . 1 1 89 89 VAL HA H 1 4.07 0.01 . 1 . . . . 152 VAL HA . 25527 1 1065 . 1 1 89 89 VAL HB H 1 2.11 0.01 . 1 . . . . 152 VAL HB . 25527 1 1066 . 1 1 89 89 VAL HG11 H 1 0.87 0.01 . 1 . . . . 152 VAL HG11 . 25527 1 1067 . 1 1 89 89 VAL HG12 H 1 0.87 0.01 . 1 . . . . 152 VAL HG12 . 25527 1 1068 . 1 1 89 89 VAL HG13 H 1 0.87 0.01 . 1 . . . . 152 VAL HG13 . 25527 1 1069 . 1 1 89 89 VAL HG21 H 1 0.87 0.01 . 1 . . . . 152 VAL HG21 . 25527 1 1070 . 1 1 89 89 VAL HG22 H 1 0.87 0.01 . 1 . . . . 152 VAL HG22 . 25527 1 1071 . 1 1 89 89 VAL HG23 H 1 0.87 0.01 . 1 . . . . 152 VAL HG23 . 25527 1 1072 . 1 1 89 89 VAL CA C 13 63.65 0.1 . 1 . . . . 152 VAL CA . 25527 1 1073 . 1 1 89 89 VAL CB C 13 32.71 0.1 . 1 . . . . 152 VAL CB . 25527 1 1074 . 1 1 89 89 VAL CG1 C 13 21.29 0.1 . 1 . . . . 152 VAL CG1 . 25527 1 1075 . 1 1 89 89 VAL CG2 C 13 21.29 0.1 . 1 . . . . 152 VAL CG2 . 25527 1 1076 . 1 1 89 89 VAL N N 15 125.73 0.2 . 1 . . . . 152 VAL N . 25527 1 stop_ save_