data_5145 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5145 _Entry.Title ; NMR Structure of the human Doppel Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-09-10 _Entry.Accession_date 2001-09-11 _Entry.Last_release_date 2003-02-25 _Entry.Original_release_date 2003-02-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Thorsten Luhrs . . . 5145 2 Roland Riek . . . 5145 3 Peter Guntert . . . 5145 4 Kurt Wuthrich . . . 5145 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5145 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 406 5145 '15N chemical shifts' 150 5145 '1H chemical shifts' 898 5145 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-02-25 2001-09-10 original author . 5145 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1LG4 'BMRB Entry Tracking System' 5145 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5145 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22483920 _Citation.DOI . _Citation.PubMed_ID 12595265 _Citation.Full_citation . _Citation.Title 'NMR Structure of the Human Doppel Protein' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 326 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1549 _Citation.Page_last 1557 _Citation.Year 2003 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Thorsten Luhrs . . . 5145 1 2 Roland Riek . . . 5145 1 3 Peter Guntert . . . 5145 1 4 Kurt Wuthrich . . . 5145 1 stop_ save_ save_Ref1 _Citation.Sf_category citations _Citation.Sf_framecode Ref1 _Citation.Entry_ID 5145 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10525406 _Citation.Full_citation ; Moore RC, Lee IY, Silverman GL, Harrison PM, Strome R, Heinrich C, Karunaratne A, Pasternak SH, Chishti MA, Liang Y, Mastrangelo P, Wang K, Smit AF, Katamine S, Carlson GA, Cohen FE, Prusiner SB, Melton DW, Tremblay P, Hood LE, Westaway D. Ataxia in prion protein (PrP)-deficient mice is associated with upregulation of the novel PrP-like protein doppel. J Mol Biol. 1999 Oct 1;292(4):797-817. ; _Citation.Title 'Ataxia in prion protein (PrP)-deficient mice is associated with upregulation of the novel PrP-like protein doppel.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 292 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0022-2836 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 797 _Citation.Page_last 817 _Citation.Year 1999 _Citation.Details ; The novel locus Prnd is 16 kb downstream of the mouse prion protein (PrP) gene Prnp and encodes a 179 residue PrP-like protein designated doppel (Dpl). Prnd generates major transcripts of 1.7 and 2.7 kb as well as some unusual chimeric transcripts generated by intergenic splicing with Prnp. Like PrP, Dpl mRNA is expressed during embryogenesis but, in contrast to PrP, it is expressed minimally in the CNS. Unexpectedly, Dpl is upregulated in the CNS of two PrP-deficient (Prnp(0/0)) lines of mice, both of which develop late-onset ataxia, suggesting that Dpl may provoke neurodegeneration. Dpl is the first PrP-like protein to be described in mammals, and since Dpl seems to cause neurodegeneration similar to PrP, the linked expression of the Prnp and Prnd genes may play a previously unrecognized role in the pathogenesis of prion diseases or other illnesses. ; 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 'R C' Moore R. C. . 5145 2 2 'I Y' Lee I. Y. . 5145 2 3 'G L' Silverman G. L. . 5145 2 4 'P M' Harrison P. M. . 5145 2 5 R Strome R. . . 5145 2 6 C Heinrich C. . . 5145 2 7 A Karunaratne A. . . 5145 2 8 'S H' Pasternak S. H. . 5145 2 9 'M A' Chishti M. A. . 5145 2 10 Y Liang Y. . . 5145 2 11 P Mastrangelo P. . . 5145 2 12 K Wang K. . . 5145 2 13 'A F' Smit A. F. . 5145 2 14 S Katamine S. . . 5145 2 15 'G A' Carlson G. A. . 5145 2 16 'F E' Cohen F. E. . 5145 2 17 'S B' Prusiner S. B. . 5145 2 18 'D W' Melton D. W. . 5145 2 19 P Tremblay P. . . 5145 2 20 'L E' Hood L. E. . 5145 2 21 D Westaway D. . . 5145 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_hDpl _Assembly.Sf_category assembly _Assembly.Sf_framecode system_hDpl _Assembly.Entry_ID 5145 _Assembly.ID 1 _Assembly.Name 'human Doppel' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not reported' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5145 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'human Doppel(24-152)' 1 $hDpl . . . native . . . . . 5145 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID hDpl abbreviation 5145 1 'human Doppel' system 5145 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hDpl _Entity.Sf_category entity _Entity.Sf_framecode hDpl _Entity.Entry_ID 5145 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Doppel Protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSVQTRGIKHRIKWNRKALP STAQITEAQVAENRPGAFIK QGRKLDIDFGAEGNRYYEAN YWQFPDGIHYNGCSEANVTK EAFVTGCINATQAANQGEFQ KPDNKLHQQVLWRLVQELCS LKHCEFWLERG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 131 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14967.7 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1LG4 . "Nmr Structure Of The Human Doppel Protein Fragment 24-152" . . . . . 98.47 129 100.00 100.00 5.42e-91 . . . . 5145 1 2 no DBJ BAG36200 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 176 98.47 99.24 2.78e-91 . . . . 5145 1 3 no GB AAF02424 . "prion-like protein [Homo sapiens]" . . . . . 100.00 176 98.47 99.24 2.78e-91 . . . . 5145 1 4 no GB AAG43448 . "doppel protein [Homo sapiens]" . . . . . 96.95 148 97.64 99.21 1.58e-87 . . . . 5145 1 5 no GB AAG43449 . "prion-like protein [Homo sapiens]" . . . . . 100.00 176 97.71 99.24 1.16e-90 . . . . 5145 1 6 no GB AAH43644 . "Prion protein 2 (dublet) [Homo sapiens]" . . . . . 100.00 176 98.47 99.24 2.78e-91 . . . . 5145 1 7 no GB AAQ89344 . "PRND [Homo sapiens]" . . . . . 100.00 176 98.47 99.24 2.78e-91 . . . . 5145 1 8 no REF NP_036541 . "prion-like protein doppel preproprotein [Homo sapiens]" . . . . . 100.00 176 98.47 99.24 3.61e-91 . . . . 5145 1 9 no SP Q9UKY0 . "RecName: Full=Prion-like protein doppel; AltName: Full=PrPLP; AltName: Full=Prion protein 2; Flags: Precursor [Homo sapiens]" . . . . . 100.00 176 98.47 99.24 3.61e-91 . . . . 5145 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Doppel Protein' common 5145 1 Dpl abbreviation 5145 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 22 GLY . 5145 1 2 23 SER . 5145 1 3 24 VAL . 5145 1 4 25 GLN . 5145 1 5 26 THR . 5145 1 6 27 ARG . 5145 1 7 28 GLY . 5145 1 8 29 ILE . 5145 1 9 30 LYS . 5145 1 10 31 HIS . 5145 1 11 32 ARG . 5145 1 12 33 ILE . 5145 1 13 34 LYS . 5145 1 14 35 TRP . 5145 1 15 36 ASN . 5145 1 16 37 ARG . 5145 1 17 38 LYS . 5145 1 18 39 ALA . 5145 1 19 40 LEU . 5145 1 20 41 PRO . 5145 1 21 42 SER . 5145 1 22 43 THR . 5145 1 23 44 ALA . 5145 1 24 45 GLN . 5145 1 25 46 ILE . 5145 1 26 47 THR . 5145 1 27 48 GLU . 5145 1 28 49 ALA . 5145 1 29 50 GLN . 5145 1 30 51 VAL . 5145 1 31 52 ALA . 5145 1 32 53 GLU . 5145 1 33 54 ASN . 5145 1 34 55 ARG . 5145 1 35 56 PRO . 5145 1 36 57 GLY . 5145 1 37 58 ALA . 5145 1 38 59 PHE . 5145 1 39 60 ILE . 5145 1 40 61 LYS . 5145 1 41 62 GLN . 5145 1 42 63 GLY . 5145 1 43 64 ARG . 5145 1 44 65 LYS . 5145 1 45 66 LEU . 5145 1 46 67 ASP . 5145 1 47 68 ILE . 5145 1 48 69 ASP . 5145 1 49 70 PHE . 5145 1 50 71 GLY . 5145 1 51 72 ALA . 5145 1 52 73 GLU . 5145 1 53 74 GLY . 5145 1 54 75 ASN . 5145 1 55 76 ARG . 5145 1 56 77 TYR . 5145 1 57 78 TYR . 5145 1 58 79 GLU . 5145 1 59 80 ALA . 5145 1 60 81 ASN . 5145 1 61 82 TYR . 5145 1 62 83 TRP . 5145 1 63 84 GLN . 5145 1 64 85 PHE . 5145 1 65 86 PRO . 5145 1 66 87 ASP . 5145 1 67 88 GLY . 5145 1 68 89 ILE . 5145 1 69 90 HIS . 5145 1 70 91 TYR . 5145 1 71 92 ASN . 5145 1 72 93 GLY . 5145 1 73 94 CYS . 5145 1 74 95 SER . 5145 1 75 96 GLU . 5145 1 76 97 ALA . 5145 1 77 98 ASN . 5145 1 78 99 VAL . 5145 1 79 100 THR . 5145 1 80 101 LYS . 5145 1 81 102 GLU . 5145 1 82 103 ALA . 5145 1 83 104 PHE . 5145 1 84 105 VAL . 5145 1 85 106 THR . 5145 1 86 107 GLY . 5145 1 87 108 CYS . 5145 1 88 109 ILE . 5145 1 89 110 ASN . 5145 1 90 111 ALA . 5145 1 91 112 THR . 5145 1 92 113 GLN . 5145 1 93 114 ALA . 5145 1 94 115 ALA . 5145 1 95 116 ASN . 5145 1 96 117 GLN . 5145 1 97 118 GLY . 5145 1 98 119 GLU . 5145 1 99 120 PHE . 5145 1 100 121 GLN . 5145 1 101 122 LYS . 5145 1 102 123 PRO . 5145 1 103 124 ASP . 5145 1 104 125 ASN . 5145 1 105 126 LYS . 5145 1 106 127 LEU . 5145 1 107 128 HIS . 5145 1 108 129 GLN . 5145 1 109 130 GLN . 5145 1 110 131 VAL . 5145 1 111 132 LEU . 5145 1 112 133 TRP . 5145 1 113 134 ARG . 5145 1 114 135 LEU . 5145 1 115 136 VAL . 5145 1 116 137 GLN . 5145 1 117 138 GLU . 5145 1 118 139 LEU . 5145 1 119 140 CYS . 5145 1 120 141 SER . 5145 1 121 142 LEU . 5145 1 122 143 LYS . 5145 1 123 144 HIS . 5145 1 124 145 CYS . 5145 1 125 146 GLU . 5145 1 126 147 PHE . 5145 1 127 148 TRP . 5145 1 128 149 LEU . 5145 1 129 150 GLU . 5145 1 130 151 ARG . 5145 1 131 152 GLY . 5145 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 5145 1 . SER 2 2 5145 1 . VAL 3 3 5145 1 . GLN 4 4 5145 1 . THR 5 5 5145 1 . ARG 6 6 5145 1 . GLY 7 7 5145 1 . ILE 8 8 5145 1 . LYS 9 9 5145 1 . HIS 10 10 5145 1 . ARG 11 11 5145 1 . ILE 12 12 5145 1 . LYS 13 13 5145 1 . TRP 14 14 5145 1 . ASN 15 15 5145 1 . ARG 16 16 5145 1 . LYS 17 17 5145 1 . ALA 18 18 5145 1 . LEU 19 19 5145 1 . PRO 20 20 5145 1 . SER 21 21 5145 1 . THR 22 22 5145 1 . ALA 23 23 5145 1 . GLN 24 24 5145 1 . ILE 25 25 5145 1 . THR 26 26 5145 1 . GLU 27 27 5145 1 . ALA 28 28 5145 1 . GLN 29 29 5145 1 . VAL 30 30 5145 1 . ALA 31 31 5145 1 . GLU 32 32 5145 1 . ASN 33 33 5145 1 . ARG 34 34 5145 1 . PRO 35 35 5145 1 . GLY 36 36 5145 1 . ALA 37 37 5145 1 . PHE 38 38 5145 1 . ILE 39 39 5145 1 . LYS 40 40 5145 1 . GLN 41 41 5145 1 . GLY 42 42 5145 1 . ARG 43 43 5145 1 . LYS 44 44 5145 1 . LEU 45 45 5145 1 . ASP 46 46 5145 1 . ILE 47 47 5145 1 . ASP 48 48 5145 1 . PHE 49 49 5145 1 . GLY 50 50 5145 1 . ALA 51 51 5145 1 . GLU 52 52 5145 1 . GLY 53 53 5145 1 . ASN 54 54 5145 1 . ARG 55 55 5145 1 . TYR 56 56 5145 1 . TYR 57 57 5145 1 . GLU 58 58 5145 1 . ALA 59 59 5145 1 . ASN 60 60 5145 1 . TYR 61 61 5145 1 . TRP 62 62 5145 1 . GLN 63 63 5145 1 . PHE 64 64 5145 1 . PRO 65 65 5145 1 . ASP 66 66 5145 1 . GLY 67 67 5145 1 . ILE 68 68 5145 1 . HIS 69 69 5145 1 . TYR 70 70 5145 1 . ASN 71 71 5145 1 . GLY 72 72 5145 1 . CYS 73 73 5145 1 . SER 74 74 5145 1 . GLU 75 75 5145 1 . ALA 76 76 5145 1 . ASN 77 77 5145 1 . VAL 78 78 5145 1 . THR 79 79 5145 1 . LYS 80 80 5145 1 . GLU 81 81 5145 1 . ALA 82 82 5145 1 . PHE 83 83 5145 1 . VAL 84 84 5145 1 . THR 85 85 5145 1 . GLY 86 86 5145 1 . CYS 87 87 5145 1 . ILE 88 88 5145 1 . ASN 89 89 5145 1 . ALA 90 90 5145 1 . THR 91 91 5145 1 . GLN 92 92 5145 1 . ALA 93 93 5145 1 . ALA 94 94 5145 1 . ASN 95 95 5145 1 . GLN 96 96 5145 1 . GLY 97 97 5145 1 . GLU 98 98 5145 1 . PHE 99 99 5145 1 . GLN 100 100 5145 1 . LYS 101 101 5145 1 . PRO 102 102 5145 1 . ASP 103 103 5145 1 . ASN 104 104 5145 1 . LYS 105 105 5145 1 . LEU 106 106 5145 1 . HIS 107 107 5145 1 . GLN 108 108 5145 1 . GLN 109 109 5145 1 . VAL 110 110 5145 1 . LEU 111 111 5145 1 . TRP 112 112 5145 1 . ARG 113 113 5145 1 . LEU 114 114 5145 1 . VAL 115 115 5145 1 . GLN 116 116 5145 1 . GLU 117 117 5145 1 . LEU 118 118 5145 1 . CYS 119 119 5145 1 . SER 120 120 5145 1 . LEU 121 121 5145 1 . LYS 122 122 5145 1 . HIS 123 123 5145 1 . CYS 124 124 5145 1 . GLU 125 125 5145 1 . PHE 126 126 5145 1 . TRP 127 127 5145 1 . LEU 128 128 5145 1 . GLU 129 129 5145 1 . ARG 130 130 5145 1 . GLY 131 131 5145 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 5145 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $hDpl . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5145 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 5145 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $hDpl . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5145 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5145 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Doppel Protein' '[U-15N; U-13C]' . . 1 $hDpl . . 1.5 . . mM . . . . 5145 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5145 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Doppel Protein' . . . 1 $hDpl . . 2.0 . . mM . . . . 5145 2 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 5145 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.010 . M 5145 1 pH 4.5 0.1 n/a 5145 1 temperature 298 1 K 5145 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 5145 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 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 5145 _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 unknown unknown . 0 'spectrometer information not available' . . 5145 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 5145 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5145 1 2 '1H-13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5145 1 3 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5145 1 4 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5145 1 5 HN(CO)CACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5145 1 6 '1H-15N 3D-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5145 1 7 'HCCH COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5145 1 8 '1H-15N 3D-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5145 1 9 '1H-13C 3D-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5145 1 10 '1H-1H 2D-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5145 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5145 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5145 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5145 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5145 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5145 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HN(CO)CACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5145 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '1H-15N 3D-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5145 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 'HCCH COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5145 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '1H-15N 3D-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5145 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '1H-13C 3D-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5145 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '1H-1H 2D-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5145 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5145 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5145 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5145 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_set1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode set1 _Assigned_chem_shift_list.Entry_ID 5145 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5145 1 . . 2 $sample_2 . 5145 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 SER N N 15 115.7 0.1 . 1 . . . . 23 . . . 5145 1 2 . 1 1 2 2 SER H H 1 8.56 0.02 . 1 . . . . 23 . . . 5145 1 3 . 1 1 2 2 SER CA C 13 58.2 0.1 . 1 . . . . 23 . . . 5145 1 4 . 1 1 2 2 SER HA H 1 4.43 0.02 . 1 . . . . 23 . . . 5145 1 5 . 1 1 2 2 SER CB C 13 63.9 0.1 . 1 . . . . 23 . . . 5145 1 6 . 1 1 2 2 SER HB2 H 1 3.73 0.02 . 1 . . . . 23 . . . 5145 1 7 . 1 1 2 2 SER HB3 H 1 3.73 0.02 . 1 . . . . 23 . . . 5145 1 8 . 1 1 3 3 VAL N N 15 122.1 0.1 . 1 . . . . 24 . . . 5145 1 9 . 1 1 3 3 VAL H H 1 8.26 0.02 . 1 . . . . 24 . . . 5145 1 10 . 1 1 3 3 VAL CA C 13 62.7 0.1 . 1 . . . . 24 . . . 5145 1 11 . 1 1 3 3 VAL HA H 1 3.99 0.02 . 1 . . . . 24 . . . 5145 1 12 . 1 1 3 3 VAL CB C 13 32.5 0.1 . 1 . . . . 24 . . . 5145 1 13 . 1 1 3 3 VAL HB H 1 1.93 0.02 . 1 . . . . 24 . . . 5145 1 14 . 1 1 3 3 VAL HG11 H 1 0.80 0.02 . 2 . . . . 24 . . . 5145 1 15 . 1 1 3 3 VAL HG12 H 1 0.80 0.02 . 2 . . . . 24 . . . 5145 1 16 . 1 1 3 3 VAL HG13 H 1 0.80 0.02 . 2 . . . . 24 . . . 5145 1 17 . 1 1 3 3 VAL HG21 H 1 0.81 0.02 . 2 . . . . 24 . . . 5145 1 18 . 1 1 3 3 VAL HG22 H 1 0.81 0.02 . 2 . . . . 24 . . . 5145 1 19 . 1 1 3 3 VAL HG23 H 1 0.81 0.02 . 2 . . . . 24 . . . 5145 1 20 . 1 1 3 3 VAL CG1 C 13 20.9 0.1 . 1 . . . . 24 . . . 5145 1 21 . 1 1 3 3 VAL CG2 C 13 20.7 0.1 . 1 . . . . 24 . . . 5145 1 22 . 1 1 4 4 GLN N N 15 124.4 0.1 . 1 . . . . 25 . . . 5145 1 23 . 1 1 4 4 GLN H H 1 8.44 0.02 . 1 . . . . 25 . . . 5145 1 24 . 1 1 4 4 GLN CA C 13 55.5 0.1 . 1 . . . . 25 . . . 5145 1 25 . 1 1 4 4 GLN HA H 1 4.28 0.02 . 1 . . . . 25 . . . 5145 1 26 . 1 1 4 4 GLN CB C 13 29.3 0.1 . 1 . . . . 25 . . . 5145 1 27 . 1 1 4 4 GLN HB2 H 1 1.85 0.02 . 2 . . . . 25 . . . 5145 1 28 . 1 1 4 4 GLN HB3 H 1 1.96 0.02 . 2 . . . . 25 . . . 5145 1 29 . 1 1 4 4 GLN CG C 13 33.8 0.1 . 1 . . . . 25 . . . 5145 1 30 . 1 1 4 4 GLN HG2 H 1 2.24 0.02 . 1 . . . . 25 . . . 5145 1 31 . 1 1 4 4 GLN HG3 H 1 2.24 0.02 . 1 . . . . 25 . . . 5145 1 32 . 1 1 5 5 THR N N 15 116.0 0.1 . 1 . . . . 26 . . . 5145 1 33 . 1 1 5 5 THR H H 1 8.14 0.02 . 1 . . . . 26 . . . 5145 1 34 . 1 1 5 5 THR CA C 13 62.3 0.1 . 1 . . . . 26 . . . 5145 1 35 . 1 1 5 5 THR HA H 1 4.18 0.02 . 1 . . . . 26 . . . 5145 1 36 . 1 1 5 5 THR CB C 13 69.6 0.1 . 1 . . . . 26 . . . 5145 1 37 . 1 1 5 5 THR HB H 1 4.08 0.02 . 1 . . . . 26 . . . 5145 1 38 . 1 1 5 5 THR HG21 H 1 1.06 0.02 . 1 . . . . 26 . . . 5145 1 39 . 1 1 5 5 THR HG22 H 1 1.06 0.02 . 1 . . . . 26 . . . 5145 1 40 . 1 1 5 5 THR HG23 H 1 1.06 0.02 . 1 . . . . 26 . . . 5145 1 41 . 1 1 5 5 THR CG2 C 13 21.5 0.1 . 1 . . . . 26 . . . 5145 1 42 . 1 1 6 6 ARG N N 15 123.4 0.1 . 1 . . . . 27 . . . 5145 1 43 . 1 1 6 6 ARG H H 1 8.29 0.02 . 1 . . . . 27 . . . 5145 1 44 . 1 1 6 6 ARG CA C 13 55.9 0.1 . 1 . . . . 27 . . . 5145 1 45 . 1 1 6 6 ARG HA H 1 4.18 0.02 . 1 . . . . 27 . . . 5145 1 46 . 1 1 6 6 ARG CB C 13 30.8 0.1 . 1 . . . . 27 . . . 5145 1 47 . 1 1 6 6 ARG HB2 H 1 1.64 0.02 . 2 . . . . 27 . . . 5145 1 48 . 1 1 6 6 ARG HB3 H 1 1.74 0.02 . 2 . . . . 27 . . . 5145 1 49 . 1 1 6 6 ARG CG C 13 27.0 0.1 . 1 . . . . 27 . . . 5145 1 50 . 1 1 6 6 ARG HG2 H 1 1.49 0.02 . 2 . . . . 27 . . . 5145 1 51 . 1 1 6 6 ARG HG3 H 1 1.52 0.02 . 2 . . . . 27 . . . 5145 1 52 . 1 1 7 7 GLY N N 15 110.0 0.1 . 1 . . . . 28 . . . 5145 1 53 . 1 1 7 7 GLY H H 1 8.33 0.02 . 1 . . . . 28 . . . 5145 1 54 . 1 1 7 7 GLY CA C 13 45.2 0.1 . 1 . . . . 28 . . . 5145 1 55 . 1 1 7 7 GLY HA2 H 1 3.80 0.02 . 1 . . . . 28 . . . 5145 1 56 . 1 1 7 7 GLY HA3 H 1 3.80 0.02 . 1 . . . . 28 . . . 5145 1 57 . 1 1 8 8 ILE N N 15 120.1 0.1 . 1 . . . . 29 . . . 5145 1 58 . 1 1 8 8 ILE H H 1 7.88 0.02 . 1 . . . . 29 . . . 5145 1 59 . 1 1 8 8 ILE CA C 13 61.0 0.1 . 1 . . . . 29 . . . 5145 1 60 . 1 1 8 8 ILE HA H 1 3.97 0.02 . 1 . . . . 29 . . . 5145 1 61 . 1 1 8 8 ILE CB C 13 38.4 0.1 . 1 . . . . 29 . . . 5145 1 62 . 1 1 8 8 ILE HB H 1 1.66 0.02 . 1 . . . . 29 . . . 5145 1 63 . 1 1 8 8 ILE HG21 H 1 0.67 0.02 . 1 . . . . 29 . . . 5145 1 64 . 1 1 8 8 ILE HG22 H 1 0.67 0.02 . 1 . . . . 29 . . . 5145 1 65 . 1 1 8 8 ILE HG23 H 1 0.67 0.02 . 1 . . . . 29 . . . 5145 1 66 . 1 1 8 8 ILE CG2 C 13 17.3 0.1 . 1 . . . . 29 . . . 5145 1 67 . 1 1 8 8 ILE CG1 C 13 27.0 0.1 . 1 . . . . 29 . . . 5145 1 68 . 1 1 8 8 ILE HG12 H 1 1.00 0.02 . 2 . . . . 29 . . . 5145 1 69 . 1 1 8 8 ILE HG13 H 1 1.26 0.02 . 2 . . . . 29 . . . 5145 1 70 . 1 1 8 8 ILE HD11 H 1 0.70 0.02 . 1 . . . . 29 . . . 5145 1 71 . 1 1 8 8 ILE HD12 H 1 0.70 0.02 . 1 . . . . 29 . . . 5145 1 72 . 1 1 8 8 ILE HD13 H 1 0.70 0.02 . 1 . . . . 29 . . . 5145 1 73 . 1 1 8 8 ILE CD1 C 13 12.7 0.1 . 1 . . . . 29 . . . 5145 1 74 . 1 1 9 9 LYS N N 15 125.4 0.1 . 1 . . . . 30 . . . 5145 1 75 . 1 1 9 9 LYS H H 1 8.29 0.02 . 1 . . . . 30 . . . 5145 1 76 . 1 1 9 9 LYS CA C 13 56.1 0.1 . 1 . . . . 30 . . . 5145 1 77 . 1 1 9 9 LYS HA H 1 4.13 0.02 . 1 . . . . 30 . . . 5145 1 78 . 1 1 9 9 LYS CB C 13 32.9 0.1 . 1 . . . . 30 . . . 5145 1 79 . 1 1 9 9 LYS HB2 H 1 1.53 0.02 . 2 . . . . 30 . . . 5145 1 80 . 1 1 9 9 LYS HB3 H 1 1.58 0.02 . 2 . . . . 30 . . . 5145 1 81 . 1 1 9 9 LYS CG C 13 24.5 0.1 . 1 . . . . 30 . . . 5145 1 82 . 1 1 9 9 LYS HG2 H 1 1.15 0.02 . 2 . . . . 30 . . . 5145 1 83 . 1 1 9 9 LYS HG3 H 1 1.17 0.02 . 2 . . . . 30 . . . 5145 1 84 . 1 1 9 9 LYS CD C 13 29.1 0.1 . 1 . . . . 30 . . . 5145 1 85 . 1 1 9 9 LYS HD2 H 1 1.35 0.02 . 1 . . . . 30 . . . 5145 1 86 . 1 1 9 9 LYS HD3 H 1 1.35 0.02 . 1 . . . . 30 . . . 5145 1 87 . 1 1 9 9 LYS CE C 13 42.2 0.1 . 1 . . . . 30 . . . 5145 1 88 . 1 1 9 9 LYS HE2 H 1 2.77 0.02 . 1 . . . . 30 . . . 5145 1 89 . 1 1 9 9 LYS HE3 H 1 2.77 0.02 . 1 . . . . 30 . . . 5145 1 90 . 1 1 10 10 HIS N N 15 120.0 0.1 . 1 . . . . 31 . . . 5145 1 91 . 1 1 10 10 HIS H H 1 8.39 0.02 . 1 . . . . 31 . . . 5145 1 92 . 1 1 10 10 HIS CA C 13 54.9 0.1 . 1 . . . . 31 . . . 5145 1 93 . 1 1 10 10 HIS HA H 1 4.55 0.02 . 1 . . . . 31 . . . 5145 1 94 . 1 1 10 10 HIS CB C 13 29.1 0.1 . 1 . . . . 31 . . . 5145 1 95 . 1 1 10 10 HIS HB2 H 1 2.97 0.02 . 2 . . . . 31 . . . 5145 1 96 . 1 1 10 10 HIS HB3 H 1 3.08 0.02 . 2 . . . . 31 . . . 5145 1 97 . 1 1 10 10 HIS HD2 H 1 7.11 0.02 . 1 . . . . 31 . . . 5145 1 98 . 1 1 11 11 ARG N N 15 123.2 0.1 . 1 . . . . 32 . . . 5145 1 99 . 1 1 11 11 ARG H H 1 8.39 0.02 . 1 . . . . 32 . . . 5145 1 100 . 1 1 11 11 ARG HA H 1 4.18 0.02 . 1 . . . . 32 . . . 5145 1 101 . 1 1 12 12 ILE N N 15 123.0 0.1 . 1 . . . . 33 . . . 5145 1 102 . 1 1 12 12 ILE H H 1 8.19 0.02 . 1 . . . . 33 . . . 5145 1 103 . 1 1 12 12 ILE CA C 13 61.0 0.1 . 1 . . . . 33 . . . 5145 1 104 . 1 1 12 12 ILE HA H 1 3.95 0.02 . 1 . . . . 33 . . . 5145 1 105 . 1 1 12 12 ILE CB C 13 38.8 0.1 . 1 . . . . 33 . . . 5145 1 106 . 1 1 12 12 ILE HB H 1 1.60 0.02 . 1 . . . . 33 . . . 5145 1 107 . 1 1 12 12 ILE HG21 H 1 0.57 0.02 . 1 . . . . 33 . . . 5145 1 108 . 1 1 12 12 ILE HG22 H 1 0.57 0.02 . 1 . . . . 33 . . . 5145 1 109 . 1 1 12 12 ILE HG23 H 1 0.57 0.02 . 1 . . . . 33 . . . 5145 1 110 . 1 1 12 12 ILE CG2 C 13 17.1 0.1 . 1 . . . . 33 . . . 5145 1 111 . 1 1 12 12 ILE CG1 C 13 27.2 0.1 . 1 . . . . 33 . . . 5145 1 112 . 1 1 12 12 ILE HG12 H 1 0.98 0.02 . 2 . . . . 33 . . . 5145 1 113 . 1 1 12 12 ILE HG13 H 1 1.29 0.02 . 2 . . . . 33 . . . 5145 1 114 . 1 1 12 12 ILE HD11 H 1 0.68 0.02 . 1 . . . . 33 . . . 5145 1 115 . 1 1 12 12 ILE HD12 H 1 0.68 0.02 . 1 . . . . 33 . . . 5145 1 116 . 1 1 12 12 ILE HD13 H 1 0.68 0.02 . 1 . . . . 33 . . . 5145 1 117 . 1 1 12 12 ILE CD1 C 13 12.9 0.1 . 1 . . . . 33 . . . 5145 1 118 . 1 1 13 13 LYS N N 15 125.8 0.1 . 1 . . . . 34 . . . 5145 1 119 . 1 1 13 13 LYS H H 1 8.24 0.02 . 1 . . . . 34 . . . 5145 1 120 . 1 1 13 13 LYS HA H 1 4.16 0.02 . 1 . . . . 34 . . . 5145 1 121 . 1 1 13 13 LYS HB2 H 1 1.52 0.02 . 2 . . . . 34 . . . 5145 1 122 . 1 1 13 13 LYS HB3 H 1 1.60 0.02 . 2 . . . . 34 . . . 5145 1 123 . 1 1 14 14 TRP N N 15 123.5 0.1 . 1 . . . . 35 . . . 5145 1 124 . 1 1 14 14 TRP H H 1 8.12 0.02 . 1 . . . . 35 . . . 5145 1 125 . 1 1 14 14 TRP CA C 13 57.0 0.1 . 1 . . . . 35 . . . 5145 1 126 . 1 1 14 14 TRP HA H 1 4.51 0.02 . 1 . . . . 35 . . . 5145 1 127 . 1 1 14 14 TRP CB C 13 29.8 0.1 . 1 . . . . 35 . . . 5145 1 128 . 1 1 14 14 TRP HB2 H 1 3.04 0.02 . 2 . . . . 35 . . . 5145 1 129 . 1 1 14 14 TRP HB3 H 1 3.11 0.02 . 2 . . . . 35 . . . 5145 1 130 . 1 1 14 14 TRP CD1 C 13 126.8 0.1 . 1 . . . . 35 . . . 5145 1 131 . 1 1 14 14 TRP CE3 C 13 120.7 0.1 . 1 . . . . 35 . . . 5145 1 132 . 1 1 14 14 TRP NE1 N 15 129.3 0.1 . 1 . . . . 35 . . . 5145 1 133 . 1 1 14 14 TRP HD1 H 1 7.09 0.02 . 1 . . . . 35 . . . 5145 1 134 . 1 1 14 14 TRP HE3 H 1 7.44 0.02 . 1 . . . . 35 . . . 5145 1 135 . 1 1 14 14 TRP CZ3 C 13 121.6 0.1 . 1 . . . . 35 . . . 5145 1 136 . 1 1 14 14 TRP CZ2 C 13 114.6 0.1 . 1 . . . . 35 . . . 5145 1 137 . 1 1 14 14 TRP HE1 H 1 10.01 0.02 . 1 . . . . 35 . . . 5145 1 138 . 1 1 14 14 TRP HZ3 H 1 6.98 0.02 . 1 . . . . 35 . . . 5145 1 139 . 1 1 14 14 TRP CH2 C 13 124.5 0.1 . 1 . . . . 35 . . . 5145 1 140 . 1 1 14 14 TRP HZ2 H 1 7.32 0.02 . 1 . . . . 35 . . . 5145 1 141 . 1 1 14 14 TRP HH2 H 1 7.06 0.02 . 1 . . . . 35 . . . 5145 1 142 . 1 1 15 15 ASN N N 15 121.6 0.1 . 1 . . . . 36 . . . 5145 1 143 . 1 1 15 15 ASN H H 1 8.19 0.02 . 1 . . . . 36 . . . 5145 1 144 . 1 1 15 15 ASN CA C 13 52.5 0.1 . 1 . . . . 36 . . . 5145 1 145 . 1 1 15 15 ASN HA H 1 4.47 0.02 . 1 . . . . 36 . . . 5145 1 146 . 1 1 15 15 ASN CB C 13 38.6 0.1 . 1 . . . . 36 . . . 5145 1 147 . 1 1 15 15 ASN HB2 H 1 2.49 0.02 . 2 . . . . 36 . . . 5145 1 148 . 1 1 15 15 ASN HB3 H 1 2.52 0.02 . 2 . . . . 36 . . . 5145 1 149 . 1 1 15 15 ASN ND2 N 15 112.3 0.1 . 1 . . . . 36 . . . 5145 1 150 . 1 1 15 15 ASN HD21 H 1 6.74 0.02 . 2 . . . . 36 . . . 5145 1 151 . 1 1 15 15 ASN HD22 H 1 7.42 0.02 . 2 . . . . 36 . . . 5145 1 152 . 1 1 16 16 ARG N N 15 121.6 0.1 . 1 . . . . 37 . . . 5145 1 153 . 1 1 16 16 ARG H H 1 7.92 0.02 . 1 . . . . 37 . . . 5145 1 154 . 1 1 16 16 ARG CA C 13 56.3 0.1 . 1 . . . . 37 . . . 5145 1 155 . 1 1 16 16 ARG HA H 1 3.95 0.02 . 1 . . . . 37 . . . 5145 1 156 . 1 1 16 16 ARG CB C 13 30.6 0.1 . 1 . . . . 37 . . . 5145 1 157 . 1 1 16 16 ARG HB2 H 1 1.52 0.02 . 2 . . . . 37 . . . 5145 1 158 . 1 1 16 16 ARG HB3 H 1 1.64 0.02 . 2 . . . . 37 . . . 5145 1 159 . 1 1 16 16 ARG CG C 13 27.0 0.1 . 1 . . . . 37 . . . 5145 1 160 . 1 1 16 16 ARG HG2 H 1 1.37 0.02 . 1 . . . . 37 . . . 5145 1 161 . 1 1 16 16 ARG HG3 H 1 1.37 0.02 . 1 . . . . 37 . . . 5145 1 162 . 1 1 16 16 ARG CD C 13 43.3 0.1 . 1 . . . . 37 . . . 5145 1 163 . 1 1 16 16 ARG HD2 H 1 2.97 0.02 . 1 . . . . 37 . . . 5145 1 164 . 1 1 16 16 ARG HD3 H 1 2.97 0.02 . 1 . . . . 37 . . . 5145 1 165 . 1 1 16 16 ARG NE N 15 84.5 0.1 . 1 . . . . 37 . . . 5145 1 166 . 1 1 16 16 ARG HE H 1 7.04 0.02 . 1 . . . . 37 . . . 5145 1 167 . 1 1 17 17 LYS N N 15 122.1 0.1 . 1 . . . . 38 . . . 5145 1 168 . 1 1 17 17 LYS H H 1 8.11 0.02 . 1 . . . . 38 . . . 5145 1 169 . 1 1 17 17 LYS CA C 13 56.1 0.1 . 1 . . . . 38 . . . 5145 1 170 . 1 1 17 17 LYS HA H 1 4.10 0.02 . 1 . . . . 38 . . . 5145 1 171 . 1 1 17 17 LYS CB C 13 32.9 0.1 . 1 . . . . 38 . . . 5145 1 172 . 1 1 17 17 LYS HB2 H 1 1.58 0.02 . 2 . . . . 38 . . . 5145 1 173 . 1 1 17 17 LYS HB3 H 1 1.67 0.02 . 2 . . . . 38 . . . 5145 1 174 . 1 1 17 17 LYS CG C 13 24.7 0.1 . 1 . . . . 38 . . . 5145 1 175 . 1 1 17 17 LYS HG2 H 1 1.28 0.02 . 1 . . . . 38 . . . 5145 1 176 . 1 1 17 17 LYS HG3 H 1 1.28 0.02 . 1 . . . . 38 . . . 5145 1 177 . 1 1 17 17 LYS CD C 13 29.1 0.1 . 1 . . . . 38 . . . 5145 1 178 . 1 1 17 17 LYS HD2 H 1 1.53 0.02 . 1 . . . . 38 . . . 5145 1 179 . 1 1 17 17 LYS HD3 H 1 1.53 0.02 . 1 . . . . 38 . . . 5145 1 180 . 1 1 17 17 LYS CE C 13 42.0 0.1 . 1 . . . . 38 . . . 5145 1 181 . 1 1 17 17 LYS HE2 H 1 2.83 0.02 . 1 . . . . 38 . . . 5145 1 182 . 1 1 17 17 LYS HE3 H 1 2.83 0.02 . 1 . . . . 38 . . . 5145 1 183 . 1 1 18 18 ALA N N 15 125.2 0.1 . 1 . . . . 39 . . . 5145 1 184 . 1 1 18 18 ALA H H 1 8.07 0.02 . 1 . . . . 39 . . . 5145 1 185 . 1 1 18 18 ALA CA C 13 51.9 0.1 . 1 . . . . 39 . . . 5145 1 186 . 1 1 18 18 ALA HA H 1 4.16 0.02 . 1 . . . . 39 . . . 5145 1 187 . 1 1 18 18 ALA HB1 H 1 1.21 0.02 . 1 . . . . 39 . . . 5145 1 188 . 1 1 18 18 ALA HB2 H 1 1.21 0.02 . 1 . . . . 39 . . . 5145 1 189 . 1 1 18 18 ALA HB3 H 1 1.21 0.02 . 1 . . . . 39 . . . 5145 1 190 . 1 1 18 18 ALA CB C 13 19.2 0.1 . 1 . . . . 39 . . . 5145 1 191 . 1 1 19 19 LEU N N 15 123.0 0.1 . 1 . . . . 40 . . . 5145 1 192 . 1 1 19 19 LEU H H 1 8.11 0.02 . 1 . . . . 40 . . . 5145 1 193 . 1 1 19 19 LEU CA C 13 52.8 0.1 . 1 . . . . 40 . . . 5145 1 194 . 1 1 19 19 LEU HA H 1 4.45 0.02 . 1 . . . . 40 . . . 5145 1 195 . 1 1 19 19 LEU CB C 13 41.6 0.1 . 1 . . . . 40 . . . 5145 1 196 . 1 1 19 19 LEU HB2 H 1 1.42 0.02 . 2 . . . . 40 . . . 5145 1 197 . 1 1 19 19 LEU HB3 H 1 1.46 0.02 . 2 . . . . 40 . . . 5145 1 198 . 1 1 19 19 LEU CG C 13 27.0 0.1 . 1 . . . . 40 . . . 5145 1 199 . 1 1 19 19 LEU HG H 1 1.55 0.02 . 1 . . . . 40 . . . 5145 1 200 . 1 1 19 19 LEU HD11 H 1 0.77 0.02 . 2 . . . . 40 . . . 5145 1 201 . 1 1 19 19 LEU HD12 H 1 0.77 0.02 . 2 . . . . 40 . . . 5145 1 202 . 1 1 19 19 LEU HD13 H 1 0.77 0.02 . 2 . . . . 40 . . . 5145 1 203 . 1 1 19 19 LEU HD21 H 1 0.80 0.02 . 2 . . . . 40 . . . 5145 1 204 . 1 1 19 19 LEU HD22 H 1 0.80 0.02 . 2 . . . . 40 . . . 5145 1 205 . 1 1 19 19 LEU HD23 H 1 0.80 0.02 . 2 . . . . 40 . . . 5145 1 206 . 1 1 19 19 LEU CD1 C 13 23.2 0.1 . 1 . . . . 40 . . . 5145 1 207 . 1 1 19 19 LEU CD2 C 13 25.1 0.1 . 1 . . . . 40 . . . 5145 1 208 . 1 1 20 20 PRO CD C 13 50.4 0.1 . 1 . . . . 41 . . . 5145 1 209 . 1 1 20 20 PRO CA C 13 62.9 0.1 . 1 . . . . 41 . . . 5145 1 210 . 1 1 20 20 PRO HA H 1 4.31 0.02 . 1 . . . . 41 . . . 5145 1 211 . 1 1 20 20 PRO CB C 13 31.9 0.1 . 1 . . . . 41 . . . 5145 1 212 . 1 1 20 20 PRO HB2 H 1 1.77 0.02 . 2 . . . . 41 . . . 5145 1 213 . 1 1 20 20 PRO HB3 H 1 2.13 0.02 . 2 . . . . 41 . . . 5145 1 214 . 1 1 20 20 PRO CG C 13 27.2 0.1 . 1 . . . . 41 . . . 5145 1 215 . 1 1 20 20 PRO HG2 H 1 1.83 0.02 . 2 . . . . 41 . . . 5145 1 216 . 1 1 20 20 PRO HG3 H 1 1.86 0.02 . 2 . . . . 41 . . . 5145 1 217 . 1 1 20 20 PRO HD2 H 1 3.49 0.02 . 2 . . . . 41 . . . 5145 1 218 . 1 1 20 20 PRO HD3 H 1 3.66 0.02 . 2 . . . . 41 . . . 5145 1 219 . 1 1 21 21 SER N N 15 116.1 0.1 . 1 . . . . 42 . . . 5145 1 220 . 1 1 21 21 SER H H 1 8.34 0.02 . 1 . . . . 42 . . . 5145 1 221 . 1 1 21 21 SER CA C 13 58.2 0.1 . 1 . . . . 42 . . . 5145 1 222 . 1 1 21 21 SER HA H 1 4.33 0.02 . 1 . . . . 42 . . . 5145 1 223 . 1 1 21 21 SER CB C 13 63.7 0.1 . 1 . . . . 42 . . . 5145 1 224 . 1 1 21 21 SER HB2 H 1 3.74 0.02 . 2 . . . . 42 . . . 5145 1 225 . 1 1 21 21 SER HB3 H 1 3.84 0.02 . 2 . . . . 42 . . . 5145 1 226 . 1 1 22 22 THR N N 15 115.3 0.1 . 1 . . . . 43 . . . 5145 1 227 . 1 1 22 22 THR H H 1 8.05 0.02 . 1 . . . . 43 . . . 5145 1 228 . 1 1 22 22 THR CA C 13 62.0 0.1 . 1 . . . . 43 . . . 5145 1 229 . 1 1 22 22 THR HA H 1 4.15 0.02 . 1 . . . . 43 . . . 5145 1 230 . 1 1 22 22 THR CB C 13 69.4 0.1 . 1 . . . . 43 . . . 5145 1 231 . 1 1 22 22 THR HB H 1 4.13 0.02 . 1 . . . . 43 . . . 5145 1 232 . 1 1 22 22 THR HG21 H 1 1.08 0.02 . 1 . . . . 43 . . . 5145 1 233 . 1 1 22 22 THR HG22 H 1 1.08 0.02 . 1 . . . . 43 . . . 5145 1 234 . 1 1 22 22 THR HG23 H 1 1.08 0.02 . 1 . . . . 43 . . . 5145 1 235 . 1 1 22 22 THR CG2 C 13 21.7 0.1 . 1 . . . . 43 . . . 5145 1 236 . 1 1 23 23 ALA N N 15 125.8 0.1 . 1 . . . . 44 . . . 5145 1 237 . 1 1 23 23 ALA H H 1 8.12 0.02 . 1 . . . . 44 . . . 5145 1 238 . 1 1 23 23 ALA CA C 13 53.0 0.1 . 1 . . . . 44 . . . 5145 1 239 . 1 1 23 23 ALA HA H 1 4.15 0.02 . 1 . . . . 44 . . . 5145 1 240 . 1 1 23 23 ALA HB1 H 1 1.25 0.02 . 1 . . . . 44 . . . 5145 1 241 . 1 1 23 23 ALA HB2 H 1 1.25 0.02 . 1 . . . . 44 . . . 5145 1 242 . 1 1 23 23 ALA HB3 H 1 1.25 0.02 . 1 . . . . 44 . . . 5145 1 243 . 1 1 23 23 ALA CB C 13 19.0 0.1 . 1 . . . . 44 . . . 5145 1 244 . 1 1 24 24 GLN N N 15 119.6 0.1 . 1 . . . . 45 . . . 5145 1 245 . 1 1 24 24 GLN H H 1 8.12 0.02 . 1 . . . . 45 . . . 5145 1 246 . 1 1 24 24 GLN CA C 13 55.9 0.1 . 1 . . . . 45 . . . 5145 1 247 . 1 1 24 24 GLN HA H 1 4.15 0.02 . 1 . . . . 45 . . . 5145 1 248 . 1 1 24 24 GLN CB C 13 29.3 0.1 . 1 . . . . 45 . . . 5145 1 249 . 1 1 24 24 GLN HB2 H 1 1.86 0.02 . 2 . . . . 45 . . . 5145 1 250 . 1 1 24 24 GLN HB3 H 1 1.93 0.02 . 2 . . . . 45 . . . 5145 1 251 . 1 1 24 24 GLN CG C 13 33.8 0.1 . 1 . . . . 45 . . . 5145 1 252 . 1 1 24 24 GLN HG2 H 1 2.22 0.02 . 1 . . . . 45 . . . 5145 1 253 . 1 1 24 24 GLN HG3 H 1 2.22 0.02 . 1 . . . . 45 . . . 5145 1 254 . 1 1 24 24 GLN NE2 N 15 112.3 0.1 . 1 . . . . 45 . . . 5145 1 255 . 1 1 24 24 GLN HE21 H 1 6.74 0.02 . 2 . . . . 45 . . . 5145 1 256 . 1 1 24 24 GLN HE22 H 1 7.40 0.02 . 2 . . . . 45 . . . 5145 1 257 . 1 1 25 25 ILE N N 15 122.3 0.1 . 1 . . . . 46 . . . 5145 1 258 . 1 1 25 25 ILE H H 1 8.09 0.02 . 1 . . . . 46 . . . 5145 1 259 . 1 1 25 25 ILE CA C 13 61.6 0.1 . 1 . . . . 46 . . . 5145 1 260 . 1 1 25 25 ILE HA H 1 4.05 0.02 . 1 . . . . 46 . . . 5145 1 261 . 1 1 25 25 ILE CB C 13 38.6 0.1 . 1 . . . . 46 . . . 5145 1 262 . 1 1 25 25 ILE HB H 1 1.75 0.02 . 1 . . . . 46 . . . 5145 1 263 . 1 1 25 25 ILE HG21 H 1 0.77 0.02 . 1 . . . . 46 . . . 5145 1 264 . 1 1 25 25 ILE HG22 H 1 0.77 0.02 . 1 . . . . 46 . . . 5145 1 265 . 1 1 25 25 ILE HG23 H 1 0.77 0.02 . 1 . . . . 46 . . . 5145 1 266 . 1 1 25 25 ILE CG2 C 13 17.3 0.1 . 1 . . . . 46 . . . 5145 1 267 . 1 1 25 25 ILE CG1 C 13 27.2 0.1 . 1 . . . . 46 . . . 5145 1 268 . 1 1 25 25 ILE HG12 H 1 1.04 0.02 . 2 . . . . 46 . . . 5145 1 269 . 1 1 25 25 ILE HG13 H 1 1.35 0.02 . 2 . . . . 46 . . . 5145 1 270 . 1 1 25 25 ILE HD11 H 1 0.70 0.02 . 1 . . . . 46 . . . 5145 1 271 . 1 1 25 25 ILE HD12 H 1 0.70 0.02 . 1 . . . . 46 . . . 5145 1 272 . 1 1 25 25 ILE HD13 H 1 0.70 0.02 . 1 . . . . 46 . . . 5145 1 273 . 1 1 25 25 ILE CD1 C 13 12.9 0.1 . 1 . . . . 46 . . . 5145 1 274 . 1 1 26 26 THR N N 15 118.0 0.1 . 1 . . . . 47 . . . 5145 1 275 . 1 1 26 26 THR H H 1 8.12 0.02 . 1 . . . . 47 . . . 5145 1 276 . 1 1 26 26 THR CA C 13 62.3 0.1 . 1 . . . . 47 . . . 5145 1 277 . 1 1 26 26 THR HA H 1 4.18 0.02 . 1 . . . . 47 . . . 5145 1 278 . 1 1 26 26 THR CB C 13 69.6 0.1 . 1 . . . . 47 . . . 5145 1 279 . 1 1 26 26 THR HB H 1 4.13 0.02 . 1 . . . . 47 . . . 5145 1 280 . 1 1 26 26 THR HG21 H 1 1.08 0.02 . 1 . . . . 47 . . . 5145 1 281 . 1 1 26 26 THR HG22 H 1 1.08 0.02 . 1 . . . . 47 . . . 5145 1 282 . 1 1 26 26 THR HG23 H 1 1.08 0.02 . 1 . . . . 47 . . . 5145 1 283 . 1 1 26 26 THR CG2 C 13 21.5 0.1 . 1 . . . . 47 . . . 5145 1 284 . 1 1 27 27 GLU N N 15 122.7 0.1 . 1 . . . . 48 . . . 5145 1 285 . 1 1 27 27 GLU H H 1 8.30 0.02 . 1 . . . . 48 . . . 5145 1 286 . 1 1 27 27 GLU CA C 13 57.0 0.1 . 1 . . . . 48 . . . 5145 1 287 . 1 1 27 27 GLU HA H 1 4.11 0.02 . 1 . . . . 48 . . . 5145 1 288 . 1 1 27 27 GLU CB C 13 29.3 0.1 . 1 . . . . 48 . . . 5145 1 289 . 1 1 27 27 GLU HB2 H 1 1.87 0.02 . 2 . . . . 48 . . . 5145 1 290 . 1 1 27 27 GLU HB3 H 1 1.93 0.02 . 2 . . . . 48 . . . 5145 1 291 . 1 1 27 27 GLU CG C 13 35.0 0.1 . 1 . . . . 48 . . . 5145 1 292 . 1 1 27 27 GLU HG2 H 1 2.23 0.02 . 1 . . . . 48 . . . 5145 1 293 . 1 1 27 27 GLU HG3 H 1 2.23 0.02 . 1 . . . . 48 . . . 5145 1 294 . 1 1 28 28 ALA N N 15 123.8 0.1 . 1 . . . . 49 . . . 5145 1 295 . 1 1 28 28 ALA H H 1 8.15 0.02 . 1 . . . . 49 . . . 5145 1 296 . 1 1 28 28 ALA CA C 13 53.2 0.1 . 1 . . . . 49 . . . 5145 1 297 . 1 1 28 28 ALA HA H 1 4.12 0.02 . 1 . . . . 49 . . . 5145 1 298 . 1 1 28 28 ALA HB1 H 1 1.27 0.02 . 1 . . . . 49 . . . 5145 1 299 . 1 1 28 28 ALA HB2 H 1 1.27 0.02 . 1 . . . . 49 . . . 5145 1 300 . 1 1 28 28 ALA HB3 H 1 1.27 0.02 . 1 . . . . 49 . . . 5145 1 301 . 1 1 28 28 ALA CB C 13 18.8 0.1 . 1 . . . . 49 . . . 5145 1 302 . 1 1 29 29 GLN N N 15 119.0 0.1 . 1 . . . . 50 . . . 5145 1 303 . 1 1 29 29 GLN H H 1 8.08 0.02 . 1 . . . . 50 . . . 5145 1 304 . 1 1 29 29 GLN CA C 13 56.3 0.1 . 1 . . . . 50 . . . 5145 1 305 . 1 1 29 29 GLN HA H 1 4.12 0.02 . 1 . . . . 50 . . . 5145 1 306 . 1 1 29 29 GLN CB C 13 29.1 0.1 . 1 . . . . 50 . . . 5145 1 307 . 1 1 29 29 GLN HB2 H 1 1.95 0.02 . 1 . . . . 50 . . . 5145 1 308 . 1 1 29 29 GLN HB3 H 1 1.95 0.02 . 1 . . . . 50 . . . 5145 1 309 . 1 1 29 29 GLN CG C 13 34.0 0.1 . 1 . . . . 50 . . . 5145 1 310 . 1 1 29 29 GLN HG2 H 1 2.23 0.02 . 1 . . . . 50 . . . 5145 1 311 . 1 1 29 29 GLN HG3 H 1 2.23 0.02 . 1 . . . . 50 . . . 5145 1 312 . 1 1 29 29 GLN NE2 N 15 112.1 0.1 . 1 . . . . 50 . . . 5145 1 313 . 1 1 29 29 GLN HE21 H 1 6.75 0.02 . 2 . . . . 50 . . . 5145 1 314 . 1 1 29 29 GLN HE22 H 1 7.40 0.02 . 2 . . . . 50 . . . 5145 1 315 . 1 1 30 30 VAL N N 15 120.5 0.1 . 1 . . . . 51 . . . 5145 1 316 . 1 1 30 30 VAL H H 1 7.94 0.02 . 1 . . . . 51 . . . 5145 1 317 . 1 1 30 30 VAL CA C 13 63.1 0.1 . 1 . . . . 51 . . . 5145 1 318 . 1 1 30 30 VAL HA H 1 3.87 0.02 . 1 . . . . 51 . . . 5145 1 319 . 1 1 30 30 VAL CB C 13 32.5 0.1 . 1 . . . . 51 . . . 5145 1 320 . 1 1 30 30 VAL HB H 1 1.97 0.02 . 1 . . . . 51 . . . 5145 1 321 . 1 1 30 30 VAL HG11 H 1 0.74 0.02 . 2 . . . . 51 . . . 5145 1 322 . 1 1 30 30 VAL HG12 H 1 0.74 0.02 . 2 . . . . 51 . . . 5145 1 323 . 1 1 30 30 VAL HG13 H 1 0.74 0.02 . 2 . . . . 51 . . . 5145 1 324 . 1 1 30 30 VAL HG21 H 1 0.81 0.02 . 2 . . . . 51 . . . 5145 1 325 . 1 1 30 30 VAL HG22 H 1 0.81 0.02 . 2 . . . . 51 . . . 5145 1 326 . 1 1 30 30 VAL HG23 H 1 0.81 0.02 . 2 . . . . 51 . . . 5145 1 327 . 1 1 30 30 VAL CG1 C 13 20.9 0.1 . 1 . . . . 51 . . . 5145 1 328 . 1 1 30 30 VAL CG2 C 13 20.7 0.1 . 1 . . . . 51 . . . 5145 1 329 . 1 1 31 31 ALA N N 15 125.8 0.1 . 1 . . . . 52 . . . 5145 1 330 . 1 1 31 31 ALA H H 1 8.25 0.02 . 1 . . . . 52 . . . 5145 1 331 . 1 1 31 31 ALA CA C 13 53.4 0.1 . 1 . . . . 52 . . . 5145 1 332 . 1 1 31 31 ALA HA H 1 4.05 0.02 . 1 . . . . 52 . . . 5145 1 333 . 1 1 31 31 ALA HB1 H 1 1.28 0.02 . 1 . . . . 52 . . . 5145 1 334 . 1 1 31 31 ALA HB2 H 1 1.28 0.02 . 1 . . . . 52 . . . 5145 1 335 . 1 1 31 31 ALA HB3 H 1 1.28 0.02 . 1 . . . . 52 . . . 5145 1 336 . 1 1 31 31 ALA CB C 13 18.8 0.1 . 1 . . . . 52 . . . 5145 1 337 . 1 1 32 32 GLU N N 15 118.4 0.1 . 1 . . . . 53 . . . 5145 1 338 . 1 1 32 32 GLU H H 1 8.11 0.02 . 1 . . . . 53 . . . 5145 1 339 . 1 1 32 32 GLU CA C 13 57.0 0.1 . 1 . . . . 53 . . . 5145 1 340 . 1 1 32 32 GLU HA H 1 3.99 0.02 . 1 . . . . 53 . . . 5145 1 341 . 1 1 32 32 GLU CB C 13 29.3 0.1 . 1 . . . . 53 . . . 5145 1 342 . 1 1 32 32 GLU HB2 H 1 1.83 0.02 . 2 . . . . 53 . . . 5145 1 343 . 1 1 32 32 GLU HB3 H 1 1.86 0.02 . 2 . . . . 53 . . . 5145 1 344 . 1 1 32 32 GLU CG C 13 35.3 0.1 . 1 . . . . 53 . . . 5145 1 345 . 1 1 32 32 GLU HG2 H 1 2.20 0.02 . 1 . . . . 53 . . . 5145 1 346 . 1 1 32 32 GLU HG3 H 1 2.20 0.02 . 1 . . . . 53 . . . 5145 1 347 . 1 1 33 33 ASN N N 15 117.2 0.1 . 1 . . . . 54 . . . 5145 1 348 . 1 1 33 33 ASN H H 1 7.83 0.02 . 1 . . . . 54 . . . 5145 1 349 . 1 1 33 33 ASN CA C 13 52.3 0.1 . 1 . . . . 54 . . . 5145 1 350 . 1 1 33 33 ASN HA H 1 4.22 0.02 . 1 . . . . 54 . . . 5145 1 351 . 1 1 33 33 ASN CB C 13 38.8 0.1 . 1 . . . . 54 . . . 5145 1 352 . 1 1 33 33 ASN HB2 H 1 2.41 0.02 . 2 . . . . 54 . . . 5145 1 353 . 1 1 33 33 ASN HB3 H 1 2.51 0.02 . 2 . . . . 54 . . . 5145 1 354 . 1 1 33 33 ASN ND2 N 15 112.3 0.1 . 1 . . . . 54 . . . 5145 1 355 . 1 1 33 33 ASN HD21 H 1 6.75 0.02 . 2 . . . . 54 . . . 5145 1 356 . 1 1 33 33 ASN HD22 H 1 7.38 0.02 . 2 . . . . 54 . . . 5145 1 357 . 1 1 34 34 ARG N N 15 121.9 0.1 . 1 . . . . 55 . . . 5145 1 358 . 1 1 34 34 ARG H H 1 7.70 0.02 . 1 . . . . 55 . . . 5145 1 359 . 1 1 34 34 ARG CA C 13 54.2 0.1 . 1 . . . . 55 . . . 5145 1 360 . 1 1 34 34 ARG HA H 1 4.45 0.02 . 1 . . . . 55 . . . 5145 1 361 . 1 1 34 34 ARG CB C 13 30.0 0.1 . 1 . . . . 55 . . . 5145 1 362 . 1 1 34 34 ARG HB2 H 1 1.67 0.02 . 2 . . . . 55 . . . 5145 1 363 . 1 1 34 34 ARG HB3 H 1 1.70 0.02 . 2 . . . . 55 . . . 5145 1 364 . 1 1 34 34 ARG CG C 13 26.6 0.1 . 1 . . . . 55 . . . 5145 1 365 . 1 1 34 34 ARG HG2 H 1 1.50 0.02 . 2 . . . . 55 . . . 5145 1 366 . 1 1 34 34 ARG HG3 H 1 1.60 0.02 . 2 . . . . 55 . . . 5145 1 367 . 1 1 34 34 ARG CD C 13 43.7 0.1 . 1 . . . . 55 . . . 5145 1 368 . 1 1 34 34 ARG HD2 H 1 3.12 0.02 . 1 . . . . 55 . . . 5145 1 369 . 1 1 34 34 ARG HD3 H 1 3.12 0.02 . 1 . . . . 55 . . . 5145 1 370 . 1 1 34 34 ARG NE N 15 84.5 0.1 . 1 . . . . 55 . . . 5145 1 371 . 1 1 34 34 ARG HE H 1 7.24 0.02 . 1 . . . . 55 . . . 5145 1 372 . 1 1 35 35 PRO CD C 13 50.4 0.1 . 1 . . . . 56 . . . 5145 1 373 . 1 1 35 35 PRO CA C 13 63.9 0.1 . 1 . . . . 56 . . . 5145 1 374 . 1 1 35 35 PRO HA H 1 4.37 0.02 . 1 . . . . 56 . . . 5145 1 375 . 1 1 35 35 PRO CB C 13 31.7 0.1 . 1 . . . . 56 . . . 5145 1 376 . 1 1 35 35 PRO HB2 H 1 1.85 0.02 . 2 . . . . 56 . . . 5145 1 377 . 1 1 35 35 PRO HB3 H 1 2.26 0.02 . 2 . . . . 56 . . . 5145 1 378 . 1 1 35 35 PRO CG C 13 28.1 0.1 . 1 . . . . 56 . . . 5145 1 379 . 1 1 35 35 PRO HG2 H 1 1.90 0.02 . 2 . . . . 56 . . . 5145 1 380 . 1 1 35 35 PRO HG3 H 1 2.06 0.02 . 2 . . . . 56 . . . 5145 1 381 . 1 1 35 35 PRO HD2 H 1 3.52 0.02 . 2 . . . . 56 . . . 5145 1 382 . 1 1 35 35 PRO HD3 H 1 3.77 0.02 . 2 . . . . 56 . . . 5145 1 383 . 1 1 36 36 GLY N N 15 111.4 0.1 . 1 . . . . 57 . . . 5145 1 384 . 1 1 36 36 GLY H H 1 9.43 0.02 . 1 . . . . 57 . . . 5145 1 385 . 1 1 36 36 GLY CA C 13 44.5 0.1 . 1 . . . . 57 . . . 5145 1 386 . 1 1 36 36 GLY HA2 H 1 3.19 0.02 . 2 . . . . 57 . . . 5145 1 387 . 1 1 36 36 GLY HA3 H 1 3.92 0.02 . 2 . . . . 57 . . . 5145 1 388 . 1 1 37 37 ALA N N 15 120.5 0.1 . 1 . . . . 58 . . . 5145 1 389 . 1 1 37 37 ALA H H 1 7.80 0.02 . 1 . . . . 58 . . . 5145 1 390 . 1 1 37 37 ALA CA C 13 53.0 0.1 . 1 . . . . 58 . . . 5145 1 391 . 1 1 37 37 ALA HA H 1 3.98 0.02 . 1 . . . . 58 . . . 5145 1 392 . 1 1 37 37 ALA HB1 H 1 1.47 0.02 . 1 . . . . 58 . . . 5145 1 393 . 1 1 37 37 ALA HB2 H 1 1.47 0.02 . 1 . . . . 58 . . . 5145 1 394 . 1 1 37 37 ALA HB3 H 1 1.47 0.02 . 1 . . . . 58 . . . 5145 1 395 . 1 1 37 37 ALA CB C 13 20.1 0.1 . 1 . . . . 58 . . . 5145 1 396 . 1 1 38 38 PHE N N 15 119.3 0.1 . 1 . . . . 59 . . . 5145 1 397 . 1 1 38 38 PHE H H 1 8.78 0.02 . 1 . . . . 59 . . . 5145 1 398 . 1 1 38 38 PHE CA C 13 55.1 0.1 . 1 . . . . 59 . . . 5145 1 399 . 1 1 38 38 PHE HA H 1 5.00 0.02 . 1 . . . . 59 . . . 5145 1 400 . 1 1 38 38 PHE CB C 13 39.5 0.1 . 1 . . . . 59 . . . 5145 1 401 . 1 1 38 38 PHE HB2 H 1 2.87 0.02 . 2 . . . . 59 . . . 5145 1 402 . 1 1 38 38 PHE HB3 H 1 3.12 0.02 . 2 . . . . 59 . . . 5145 1 403 . 1 1 38 38 PHE HD1 H 1 7.20 0.02 . 1 . . . . 59 . . . 5145 1 404 . 1 1 38 38 PHE HD2 H 1 7.20 0.02 . 1 . . . . 59 . . . 5145 1 405 . 1 1 38 38 PHE HE1 H 1 7.01 0.02 . 1 . . . . 59 . . . 5145 1 406 . 1 1 38 38 PHE HE2 H 1 7.01 0.02 . 1 . . . . 59 . . . 5145 1 407 . 1 1 38 38 PHE CD1 C 13 130.5 0.1 . 1 . . . . 59 . . . 5145 1 408 . 1 1 38 38 PHE CE1 C 13 130.8 0.1 . 1 . . . . 59 . . . 5145 1 409 . 1 1 38 38 PHE CZ C 13 128.5 0.1 . 1 . . . . 59 . . . 5145 1 410 . 1 1 38 38 PHE HZ H 1 6.86 0.02 . 1 . . . . 59 . . . 5145 1 411 . 1 1 39 39 ILE N N 15 123.0 0.1 . 1 . . . . 60 . . . 5145 1 412 . 1 1 39 39 ILE H H 1 8.18 0.02 . 1 . . . . 60 . . . 5145 1 413 . 1 1 39 39 ILE CA C 13 61.0 0.1 . 1 . . . . 60 . . . 5145 1 414 . 1 1 39 39 ILE HA H 1 4.00 0.02 . 1 . . . . 60 . . . 5145 1 415 . 1 1 39 39 ILE CB C 13 39.9 0.1 . 1 . . . . 60 . . . 5145 1 416 . 1 1 39 39 ILE HB H 1 1.11 0.02 . 1 . . . . 60 . . . 5145 1 417 . 1 1 39 39 ILE HG21 H 1 0.80 0.02 . 1 . . . . 60 . . . 5145 1 418 . 1 1 39 39 ILE HG22 H 1 0.80 0.02 . 1 . . . . 60 . . . 5145 1 419 . 1 1 39 39 ILE HG23 H 1 0.80 0.02 . 1 . . . . 60 . . . 5145 1 420 . 1 1 39 39 ILE CG2 C 13 17.5 0.1 . 1 . . . . 60 . . . 5145 1 421 . 1 1 39 39 ILE CG1 C 13 27.2 0.1 . 1 . . . . 60 . . . 5145 1 422 . 1 1 39 39 ILE HG12 H 1 0.64 0.02 . 2 . . . . 60 . . . 5145 1 423 . 1 1 39 39 ILE HG13 H 1 1.19 0.02 . 2 . . . . 60 . . . 5145 1 424 . 1 1 39 39 ILE HD11 H 1 0.45 0.02 . 1 . . . . 60 . . . 5145 1 425 . 1 1 39 39 ILE HD12 H 1 0.45 0.02 . 1 . . . . 60 . . . 5145 1 426 . 1 1 39 39 ILE HD13 H 1 0.45 0.02 . 1 . . . . 60 . . . 5145 1 427 . 1 1 39 39 ILE CD1 C 13 13.5 0.1 . 1 . . . . 60 . . . 5145 1 428 . 1 1 40 40 LYS N N 15 127.1 0.1 . 1 . . . . 61 . . . 5145 1 429 . 1 1 40 40 LYS H H 1 8.71 0.02 . 1 . . . . 61 . . . 5145 1 430 . 1 1 40 40 LYS CA C 13 55.3 0.1 . 1 . . . . 61 . . . 5145 1 431 . 1 1 40 40 LYS HA H 1 4.76 0.02 . 1 . . . . 61 . . . 5145 1 432 . 1 1 40 40 LYS CB C 13 33.4 0.1 . 1 . . . . 61 . . . 5145 1 433 . 1 1 40 40 LYS HB2 H 1 1.60 0.02 . 2 . . . . 61 . . . 5145 1 434 . 1 1 40 40 LYS HB3 H 1 1.71 0.02 . 2 . . . . 61 . . . 5145 1 435 . 1 1 40 40 LYS CG C 13 25.3 0.1 . 1 . . . . 61 . . . 5145 1 436 . 1 1 40 40 LYS HG2 H 1 0.99 0.02 . 2 . . . . 61 . . . 5145 1 437 . 1 1 40 40 LYS HG3 H 1 1.18 0.02 . 2 . . . . 61 . . . 5145 1 438 . 1 1 40 40 LYS CD C 13 29.8 0.1 . 1 . . . . 61 . . . 5145 1 439 . 1 1 40 40 LYS HD2 H 1 1.47 0.02 . 2 . . . . 61 . . . 5145 1 440 . 1 1 40 40 LYS HD3 H 1 1.54 0.02 . 2 . . . . 61 . . . 5145 1 441 . 1 1 40 40 LYS CE C 13 42.0 0.1 . 1 . . . . 61 . . . 5145 1 442 . 1 1 40 40 LYS HE2 H 1 2.59 0.02 . 2 . . . . 61 . . . 5145 1 443 . 1 1 40 40 LYS HE3 H 1 2.70 0.02 . 2 . . . . 61 . . . 5145 1 444 . 1 1 41 41 GLN H H 1 9.90 0.02 . 1 . . . . 62 . . . 5145 1 445 . 1 1 41 41 GLN CA C 13 55.7 0.1 . 1 . . . . 62 . . . 5145 1 446 . 1 1 41 41 GLN HA H 1 4.40 0.02 . 1 . . . . 62 . . . 5145 1 447 . 1 1 41 41 GLN CB C 13 29.6 0.1 . 1 . . . . 62 . . . 5145 1 448 . 1 1 41 41 GLN HB2 H 1 2.18 0.02 . 2 . . . . 62 . . . 5145 1 449 . 1 1 41 41 GLN HB3 H 1 2.23 0.02 . 2 . . . . 62 . . . 5145 1 450 . 1 1 41 41 GLN CG C 13 34.8 0.1 . 1 . . . . 62 . . . 5145 1 451 . 1 1 41 41 GLN HG2 H 1 2.16 0.02 . 2 . . . . 62 . . . 5145 1 452 . 1 1 41 41 GLN HG3 H 1 2.22 0.02 . 2 . . . . 62 . . . 5145 1 453 . 1 1 41 41 GLN NE2 N 15 111.4 0.1 . 1 . . . . 62 . . . 5145 1 454 . 1 1 41 41 GLN HE21 H 1 6.70 0.02 . 2 . . . . 62 . . . 5145 1 455 . 1 1 41 41 GLN HE22 H 1 7.43 0.02 . 2 . . . . 62 . . . 5145 1 456 . 1 1 42 42 GLY N N 15 110.0 0.1 . 1 . . . . 63 . . . 5145 1 457 . 1 1 42 42 GLY H H 1 8.74 0.02 . 1 . . . . 63 . . . 5145 1 458 . 1 1 42 42 GLY CA C 13 46.4 0.1 . 1 . . . . 63 . . . 5145 1 459 . 1 1 42 42 GLY HA2 H 1 3.63 0.02 . 2 . . . . 63 . . . 5145 1 460 . 1 1 42 42 GLY HA3 H 1 3.94 0.02 . 2 . . . . 63 . . . 5145 1 461 . 1 1 43 43 ARG N N 15 120.3 0.1 . 1 . . . . 64 . . . 5145 1 462 . 1 1 43 43 ARG H H 1 9.03 0.02 . 1 . . . . 64 . . . 5145 1 463 . 1 1 43 43 ARG CA C 13 55.9 0.1 . 1 . . . . 64 . . . 5145 1 464 . 1 1 43 43 ARG HA H 1 4.19 0.02 . 1 . . . . 64 . . . 5145 1 465 . 1 1 43 43 ARG CB C 13 31.2 0.1 . 1 . . . . 64 . . . 5145 1 466 . 1 1 43 43 ARG HB2 H 1 1.54 0.02 . 2 . . . . 64 . . . 5145 1 467 . 1 1 43 43 ARG HB3 H 1 1.70 0.02 . 2 . . . . 64 . . . 5145 1 468 . 1 1 43 43 ARG CG C 13 27.5 0.1 . 1 . . . . 64 . . . 5145 1 469 . 1 1 43 43 ARG HG2 H 1 1.40 0.02 . 2 . . . . 64 . . . 5145 1 470 . 1 1 43 43 ARG HG3 H 1 1.43 0.02 . 2 . . . . 64 . . . 5145 1 471 . 1 1 43 43 ARG CD C 13 43.3 0.1 . 1 . . . . 64 . . . 5145 1 472 . 1 1 43 43 ARG HD2 H 1 2.97 0.02 . 2 . . . . 64 . . . 5145 1 473 . 1 1 43 43 ARG HD3 H 1 3.03 0.02 . 2 . . . . 64 . . . 5145 1 474 . 1 1 43 43 ARG NE N 15 84.7 0.1 . 1 . . . . 64 . . . 5145 1 475 . 1 1 43 43 ARG HE H 1 7.10 0.02 . 1 . . . . 64 . . . 5145 1 476 . 1 1 44 44 LYS N N 15 123.4 0.1 . 1 . . . . 65 . . . 5145 1 477 . 1 1 44 44 LYS H H 1 8.23 0.02 . 1 . . . . 65 . . . 5145 1 478 . 1 1 44 44 LYS CA C 13 55.9 0.1 . 1 . . . . 65 . . . 5145 1 479 . 1 1 44 44 LYS HA H 1 3.94 0.02 . 1 . . . . 65 . . . 5145 1 480 . 1 1 44 44 LYS CB C 13 31.9 0.1 . 1 . . . . 65 . . . 5145 1 481 . 1 1 44 44 LYS HB2 H 1 0.08 0.02 . 2 . . . . 65 . . . 5145 1 482 . 1 1 44 44 LYS HB3 H 1 1.28 0.02 . 2 . . . . 65 . . . 5145 1 483 . 1 1 44 44 LYS CG C 13 25.1 0.1 . 1 . . . . 65 . . . 5145 1 484 . 1 1 44 44 LYS HG2 H 1 0.63 0.02 . 2 . . . . 65 . . . 5145 1 485 . 1 1 44 44 LYS HG3 H 1 0.94 0.02 . 2 . . . . 65 . . . 5145 1 486 . 1 1 44 44 LYS CD C 13 29.1 0.1 . 1 . . . . 65 . . . 5145 1 487 . 1 1 44 44 LYS HD2 H 1 1.16 0.02 . 2 . . . . 65 . . . 5145 1 488 . 1 1 44 44 LYS HD3 H 1 1.25 0.02 . 2 . . . . 65 . . . 5145 1 489 . 1 1 44 44 LYS CE C 13 41.6 0.1 . 1 . . . . 65 . . . 5145 1 490 . 1 1 44 44 LYS HE2 H 1 2.60 0.02 . 2 . . . . 65 . . . 5145 1 491 . 1 1 44 44 LYS HE3 H 1 2.64 0.02 . 2 . . . . 65 . . . 5145 1 492 . 1 1 45 45 LEU N N 15 128.9 0.1 . 1 . . . . 66 . . . 5145 1 493 . 1 1 45 45 LEU H H 1 8.74 0.02 . 1 . . . . 66 . . . 5145 1 494 . 1 1 45 45 LEU CA C 13 54.7 0.1 . 1 . . . . 66 . . . 5145 1 495 . 1 1 45 45 LEU HA H 1 4.26 0.02 . 1 . . . . 66 . . . 5145 1 496 . 1 1 45 45 LEU CB C 13 42.4 0.1 . 1 . . . . 66 . . . 5145 1 497 . 1 1 45 45 LEU HB2 H 1 1.17 0.02 . 2 . . . . 66 . . . 5145 1 498 . 1 1 45 45 LEU HB3 H 1 1.63 0.02 . 2 . . . . 66 . . . 5145 1 499 . 1 1 45 45 LEU CG C 13 27.2 0.1 . 1 . . . . 66 . . . 5145 1 500 . 1 1 45 45 LEU HG H 1 1.68 0.02 . 1 . . . . 66 . . . 5145 1 501 . 1 1 45 45 LEU HD11 H 1 0.70 0.02 . 2 . . . . 66 . . . 5145 1 502 . 1 1 45 45 LEU HD12 H 1 0.70 0.02 . 2 . . . . 66 . . . 5145 1 503 . 1 1 45 45 LEU HD13 H 1 0.70 0.02 . 2 . . . . 66 . . . 5145 1 504 . 1 1 45 45 LEU HD21 H 1 0.81 0.02 . 2 . . . . 66 . . . 5145 1 505 . 1 1 45 45 LEU HD22 H 1 0.81 0.02 . 2 . . . . 66 . . . 5145 1 506 . 1 1 45 45 LEU HD23 H 1 0.81 0.02 . 2 . . . . 66 . . . 5145 1 507 . 1 1 45 45 LEU CD1 C 13 22.2 0.1 . 1 . . . . 66 . . . 5145 1 508 . 1 1 45 45 LEU CD2 C 13 26.4 0.1 . 1 . . . . 66 . . . 5145 1 509 . 1 1 46 46 ASP N N 15 120.7 0.1 . 1 . . . . 67 . . . 5145 1 510 . 1 1 46 46 ASP H H 1 8.46 0.02 . 1 . . . . 67 . . . 5145 1 511 . 1 1 46 46 ASP CA C 13 52.5 0.1 . 1 . . . . 67 . . . 5145 1 512 . 1 1 46 46 ASP HA H 1 4.60 0.02 . 1 . . . . 67 . . . 5145 1 513 . 1 1 46 46 ASP CB C 13 39.0 0.1 . 1 . . . . 67 . . . 5145 1 514 . 1 1 46 46 ASP HB2 H 1 2.40 0.02 . 2 . . . . 67 . . . 5145 1 515 . 1 1 46 46 ASP HB3 H 1 2.59 0.02 . 2 . . . . 67 . . . 5145 1 516 . 1 1 47 47 ILE N N 15 123.1 0.1 . 1 . . . . 68 . . . 5145 1 517 . 1 1 47 47 ILE H H 1 6.79 0.02 . 1 . . . . 68 . . . 5145 1 518 . 1 1 47 47 ILE CA C 13 59.5 0.1 . 1 . . . . 68 . . . 5145 1 519 . 1 1 47 47 ILE HA H 1 3.52 0.02 . 1 . . . . 68 . . . 5145 1 520 . 1 1 47 47 ILE CB C 13 41.6 0.1 . 1 . . . . 68 . . . 5145 1 521 . 1 1 47 47 ILE HB H 1 0.55 0.02 . 1 . . . . 68 . . . 5145 1 522 . 1 1 47 47 ILE HG21 H 1 -0.43 0.02 . 1 . . . . 68 . . . 5145 1 523 . 1 1 47 47 ILE HG22 H 1 -0.43 0.02 . 1 . . . . 68 . . . 5145 1 524 . 1 1 47 47 ILE HG23 H 1 -0.43 0.02 . 1 . . . . 68 . . . 5145 1 525 . 1 1 47 47 ILE CG2 C 13 16.1 0.1 . 1 . . . . 68 . . . 5145 1 526 . 1 1 47 47 ILE CG1 C 13 27.4 0.1 . 1 . . . . 68 . . . 5145 1 527 . 1 1 47 47 ILE HG12 H 1 0.43 0.02 . 2 . . . . 68 . . . 5145 1 528 . 1 1 47 47 ILE HG13 H 1 0.96 0.02 . 2 . . . . 68 . . . 5145 1 529 . 1 1 47 47 ILE HD11 H 1 0.40 0.02 . 1 . . . . 68 . . . 5145 1 530 . 1 1 47 47 ILE HD12 H 1 0.40 0.02 . 1 . . . . 68 . . . 5145 1 531 . 1 1 47 47 ILE HD13 H 1 0.40 0.02 . 1 . . . . 68 . . . 5145 1 532 . 1 1 47 47 ILE CD1 C 13 14.6 0.1 . 1 . . . . 68 . . . 5145 1 533 . 1 1 48 48 ASP N N 15 123.2 0.1 . 1 . . . . 69 . . . 5145 1 534 . 1 1 48 48 ASP H H 1 7.89 0.02 . 1 . . . . 69 . . . 5145 1 535 . 1 1 48 48 ASP CA C 13 52.3 0.1 . 1 . . . . 69 . . . 5145 1 536 . 1 1 48 48 ASP HA H 1 4.64 0.02 . 1 . . . . 69 . . . 5145 1 537 . 1 1 48 48 ASP CB C 13 40.7 0.1 . 1 . . . . 69 . . . 5145 1 538 . 1 1 48 48 ASP HB2 H 1 2.32 0.02 . 2 . . . . 69 . . . 5145 1 539 . 1 1 48 48 ASP HB3 H 1 2.54 0.02 . 2 . . . . 69 . . . 5145 1 540 . 1 1 49 49 PHE N N 15 126.4 0.1 . 1 . . . . 70 . . . 5145 1 541 . 1 1 49 49 PHE H H 1 9.51 0.02 . 1 . . . . 70 . . . 5145 1 542 . 1 1 49 49 PHE CA C 13 58.2 0.1 . 1 . . . . 70 . . . 5145 1 543 . 1 1 49 49 PHE HA H 1 4.25 0.02 . 1 . . . . 70 . . . 5145 1 544 . 1 1 49 49 PHE CB C 13 39.5 0.1 . 1 . . . . 70 . . . 5145 1 545 . 1 1 49 49 PHE HB2 H 1 2.44 0.02 . 2 . . . . 70 . . . 5145 1 546 . 1 1 49 49 PHE HB3 H 1 3.18 0.02 . 2 . . . . 70 . . . 5145 1 547 . 1 1 49 49 PHE HD1 H 1 6.97 0.02 . 1 . . . . 70 . . . 5145 1 548 . 1 1 49 49 PHE HD2 H 1 6.97 0.02 . 1 . . . . 70 . . . 5145 1 549 . 1 1 49 49 PHE HE1 H 1 6.28 0.02 . 1 . . . . 70 . . . 5145 1 550 . 1 1 49 49 PHE HE2 H 1 6.28 0.02 . 1 . . . . 70 . . . 5145 1 551 . 1 1 49 49 PHE CD1 C 13 131.0 0.1 . 1 . . . . 70 . . . 5145 1 552 . 1 1 49 49 PHE CE1 C 13 131.2 0.1 . 1 . . . . 70 . . . 5145 1 553 . 1 1 49 49 PHE CZ C 13 128.0 0.1 . 1 . . . . 70 . . . 5145 1 554 . 1 1 49 49 PHE HZ H 1 5.99 0.02 . 1 . . . . 70 . . . 5145 1 555 . 1 1 50 50 GLY N N 15 109.7 0.1 . 1 . . . . 71 . . . 5145 1 556 . 1 1 50 50 GLY H H 1 8.03 0.02 . 1 . . . . 71 . . . 5145 1 557 . 1 1 50 50 GLY CA C 13 44.1 0.1 . 1 . . . . 71 . . . 5145 1 558 . 1 1 50 50 GLY HA2 H 1 3.72 0.02 . 2 . . . . 71 . . . 5145 1 559 . 1 1 50 50 GLY HA3 H 1 4.34 0.02 . 2 . . . . 71 . . . 5145 1 560 . 1 1 51 51 ALA N N 15 121.6 0.1 . 1 . . . . 72 . . . 5145 1 561 . 1 1 51 51 ALA H H 1 8.36 0.02 . 1 . . . . 72 . . . 5145 1 562 . 1 1 51 51 ALA CA C 13 57.0 0.1 . 1 . . . . 72 . . . 5145 1 563 . 1 1 51 51 ALA HA H 1 3.98 0.02 . 1 . . . . 72 . . . 5145 1 564 . 1 1 51 51 ALA HB1 H 1 1.36 0.02 . 1 . . . . 72 . . . 5145 1 565 . 1 1 51 51 ALA HB2 H 1 1.36 0.02 . 1 . . . . 72 . . . 5145 1 566 . 1 1 51 51 ALA HB3 H 1 1.36 0.02 . 1 . . . . 72 . . . 5145 1 567 . 1 1 51 51 ALA CB C 13 18.6 0.1 . 1 . . . . 72 . . . 5145 1 568 . 1 1 52 52 GLU N N 15 117.4 0.1 . 1 . . . . 73 . . . 5145 1 569 . 1 1 52 52 GLU H H 1 8.60 0.02 . 1 . . . . 73 . . . 5145 1 570 . 1 1 52 52 GLU CA C 13 59.5 0.1 . 1 . . . . 73 . . . 5145 1 571 . 1 1 52 52 GLU HA H 1 3.99 0.02 . 1 . . . . 73 . . . 5145 1 572 . 1 1 52 52 GLU CB C 13 29.1 0.1 . 1 . . . . 73 . . . 5145 1 573 . 1 1 52 52 GLU HB2 H 1 1.90 0.02 . 1 . . . . 73 . . . 5145 1 574 . 1 1 52 52 GLU HB3 H 1 1.90 0.02 . 1 . . . . 73 . . . 5145 1 575 . 1 1 52 52 GLU CG C 13 36.3 0.1 . 1 . . . . 73 . . . 5145 1 576 . 1 1 52 52 GLU HG2 H 1 2.22 0.02 . 2 . . . . 73 . . . 5145 1 577 . 1 1 52 52 GLU HG3 H 1 2.25 0.02 . 2 . . . . 73 . . . 5145 1 578 . 1 1 53 53 GLY N N 15 109.8 0.1 . 1 . . . . 74 . . . 5145 1 579 . 1 1 53 53 GLY H H 1 8.92 0.02 . 1 . . . . 74 . . . 5145 1 580 . 1 1 53 53 GLY CA C 13 47.1 0.1 . 1 . . . . 74 . . . 5145 1 581 . 1 1 53 53 GLY HA2 H 1 3.44 0.02 . 1 . . . . 74 . . . 5145 1 582 . 1 1 53 53 GLY HA3 H 1 3.44 0.02 . 1 . . . . 74 . . . 5145 1 583 . 1 1 54 54 ASN N N 15 121.0 0.1 . 1 . . . . 75 . . . 5145 1 584 . 1 1 54 54 ASN H H 1 9.22 0.02 . 1 . . . . 75 . . . 5145 1 585 . 1 1 54 54 ASN CA C 13 55.9 0.1 . 1 . . . . 75 . . . 5145 1 586 . 1 1 54 54 ASN HA H 1 4.71 0.02 . 1 . . . . 75 . . . 5145 1 587 . 1 1 54 54 ASN CB C 13 37.2 0.1 . 1 . . . . 75 . . . 5145 1 588 . 1 1 54 54 ASN HB2 H 1 2.82 0.02 . 2 . . . . 75 . . . 5145 1 589 . 1 1 54 54 ASN HB3 H 1 2.86 0.02 . 2 . . . . 75 . . . 5145 1 590 . 1 1 54 54 ASN ND2 N 15 110.4 0.1 . 1 . . . . 75 . . . 5145 1 591 . 1 1 54 54 ASN HD21 H 1 7.03 0.02 . 2 . . . . 75 . . . 5145 1 592 . 1 1 54 54 ASN HD22 H 1 7.24 0.02 . 2 . . . . 75 . . . 5145 1 593 . 1 1 55 55 ARG N N 15 120.1 0.1 . 1 . . . . 76 . . . 5145 1 594 . 1 1 55 55 ARG H H 1 7.45 0.02 . 1 . . . . 76 . . . 5145 1 595 . 1 1 55 55 ARG CA C 13 59.3 0.1 . 1 . . . . 76 . . . 5145 1 596 . 1 1 55 55 ARG HA H 1 4.03 0.02 . 1 . . . . 76 . . . 5145 1 597 . 1 1 55 55 ARG CB C 13 30.0 0.1 . 1 . . . . 76 . . . 5145 1 598 . 1 1 55 55 ARG HB2 H 1 1.89 0.02 . 2 . . . . 76 . . . 5145 1 599 . 1 1 55 55 ARG HB3 H 1 1.91 0.02 . 2 . . . . 76 . . . 5145 1 600 . 1 1 55 55 ARG CG C 13 27.4 0.1 . 1 . . . . 76 . . . 5145 1 601 . 1 1 55 55 ARG HG2 H 1 1.58 0.02 . 2 . . . . 76 . . . 5145 1 602 . 1 1 55 55 ARG HG3 H 1 1.76 0.02 . 2 . . . . 76 . . . 5145 1 603 . 1 1 55 55 ARG CD C 13 43.5 0.1 . 1 . . . . 76 . . . 5145 1 604 . 1 1 55 55 ARG HD2 H 1 3.17 0.02 . 2 . . . . 76 . . . 5145 1 605 . 1 1 55 55 ARG HD3 H 1 3.20 0.02 . 2 . . . . 76 . . . 5145 1 606 . 1 1 55 55 ARG NE N 15 84.3 0.1 . 1 . . . . 76 . . . 5145 1 607 . 1 1 55 55 ARG HE H 1 7.25 0.02 . 1 . . . . 76 . . . 5145 1 608 . 1 1 56 56 TYR N N 15 120.0 0.1 . 1 . . . . 77 . . . 5145 1 609 . 1 1 56 56 TYR H H 1 7.65 0.02 . 1 . . . . 77 . . . 5145 1 610 . 1 1 56 56 TYR CA C 13 62.0 0.1 . 1 . . . . 77 . . . 5145 1 611 . 1 1 56 56 TYR HA H 1 4.02 0.02 . 1 . . . . 77 . . . 5145 1 612 . 1 1 56 56 TYR CB C 13 39.3 0.1 . 1 . . . . 77 . . . 5145 1 613 . 1 1 56 56 TYR HB2 H 1 2.85 0.02 . 2 . . . . 77 . . . 5145 1 614 . 1 1 56 56 TYR HB3 H 1 3.06 0.02 . 2 . . . . 77 . . . 5145 1 615 . 1 1 56 56 TYR HD1 H 1 6.84 0.02 . 1 . . . . 77 . . . 5145 1 616 . 1 1 56 56 TYR HD2 H 1 6.84 0.02 . 1 . . . . 77 . . . 5145 1 617 . 1 1 56 56 TYR HE1 H 1 6.72 0.02 . 1 . . . . 77 . . . 5145 1 618 . 1 1 56 56 TYR HE2 H 1 6.72 0.02 . 1 . . . . 77 . . . 5145 1 619 . 1 1 56 56 TYR CD1 C 13 132.6 0.1 . 1 . . . . 77 . . . 5145 1 620 . 1 1 56 56 TYR CE1 C 13 117.7 0.1 . 1 . . . . 77 . . . 5145 1 621 . 1 1 56 56 TYR HH H 1 5.96 0.02 . 1 . . . . 77 . . . 5145 1 622 . 1 1 57 57 TYR N N 15 121.7 0.1 . 1 . . . . 78 . . . 5145 1 623 . 1 1 57 57 TYR H H 1 9.34 0.02 . 1 . . . . 78 . . . 5145 1 624 . 1 1 57 57 TYR CA C 13 62.7 0.1 . 1 . . . . 78 . . . 5145 1 625 . 1 1 57 57 TYR HA H 1 3.52 0.02 . 1 . . . . 78 . . . 5145 1 626 . 1 1 57 57 TYR CB C 13 38.8 0.1 . 1 . . . . 78 . . . 5145 1 627 . 1 1 57 57 TYR HB2 H 1 2.41 0.02 . 2 . . . . 78 . . . 5145 1 628 . 1 1 57 57 TYR HB3 H 1 2.83 0.02 . 2 . . . . 78 . . . 5145 1 629 . 1 1 57 57 TYR HD1 H 1 6.47 0.02 . 1 . . . . 78 . . . 5145 1 630 . 1 1 57 57 TYR HD2 H 1 6.47 0.02 . 1 . . . . 78 . . . 5145 1 631 . 1 1 57 57 TYR HE1 H 1 6.84 0.02 . 1 . . . . 78 . . . 5145 1 632 . 1 1 57 57 TYR HE2 H 1 6.84 0.02 . 1 . . . . 78 . . . 5145 1 633 . 1 1 57 57 TYR CD1 C 13 132.7 0.1 . 1 . . . . 78 . . . 5145 1 634 . 1 1 57 57 TYR CE1 C 13 117.4 0.1 . 1 . . . . 78 . . . 5145 1 635 . 1 1 58 58 GLU N N 15 116.0 0.1 . 1 . . . . 79 . . . 5145 1 636 . 1 1 58 58 GLU H H 1 8.43 0.02 . 1 . . . . 79 . . . 5145 1 637 . 1 1 58 58 GLU CA C 13 59.5 0.1 . 1 . . . . 79 . . . 5145 1 638 . 1 1 58 58 GLU HA H 1 3.70 0.02 . 1 . . . . 79 . . . 5145 1 639 . 1 1 58 58 GLU CB C 13 28.5 0.1 . 1 . . . . 79 . . . 5145 1 640 . 1 1 58 58 GLU HB2 H 1 2.03 0.02 . 2 . . . . 79 . . . 5145 1 641 . 1 1 58 58 GLU HB3 H 1 2.16 0.02 . 2 . . . . 79 . . . 5145 1 642 . 1 1 58 58 GLU CG C 13 35.3 0.1 . 1 . . . . 79 . . . 5145 1 643 . 1 1 58 58 GLU HG2 H 1 2.42 0.02 . 2 . . . . 79 . . . 5145 1 644 . 1 1 58 58 GLU HG3 H 1 2.46 0.02 . 2 . . . . 79 . . . 5145 1 645 . 1 1 59 59 ALA N N 15 115.7 0.1 . 1 . . . . 80 . . . 5145 1 646 . 1 1 59 59 ALA H H 1 6.74 0.02 . 1 . . . . 80 . . . 5145 1 647 . 1 1 59 59 ALA CA C 13 52.8 0.1 . 1 . . . . 80 . . . 5145 1 648 . 1 1 59 59 ALA HA H 1 4.34 0.02 . 1 . . . . 80 . . . 5145 1 649 . 1 1 59 59 ALA HB1 H 1 1.27 0.02 . 1 . . . . 80 . . . 5145 1 650 . 1 1 59 59 ALA HB2 H 1 1.27 0.02 . 1 . . . . 80 . . . 5145 1 651 . 1 1 59 59 ALA HB3 H 1 1.27 0.02 . 1 . . . . 80 . . . 5145 1 652 . 1 1 59 59 ALA CB C 13 20.1 0.1 . 1 . . . . 80 . . . 5145 1 653 . 1 1 60 60 ASN N N 15 112.3 0.1 . 1 . . . . 81 . . . 5145 1 654 . 1 1 60 60 ASN H H 1 7.22 0.02 . 1 . . . . 81 . . . 5145 1 655 . 1 1 60 60 ASN CA C 13 53.2 0.1 . 1 . . . . 81 . . . 5145 1 656 . 1 1 60 60 ASN HA H 1 4.13 0.02 . 1 . . . . 81 . . . 5145 1 657 . 1 1 60 60 ASN CB C 13 40.5 0.1 . 1 . . . . 81 . . . 5145 1 658 . 1 1 60 60 ASN HB2 H 1 1.59 0.02 . 2 . . . . 81 . . . 5145 1 659 . 1 1 60 60 ASN HB3 H 1 2.16 0.02 . 2 . . . . 81 . . . 5145 1 660 . 1 1 60 60 ASN ND2 N 15 116.8 0.1 . 1 . . . . 81 . . . 5145 1 661 . 1 1 60 60 ASN HD21 H 1 5.99 0.02 . 2 . . . . 81 . . . 5145 1 662 . 1 1 60 60 ASN HD22 H 1 6.72 0.02 . 2 . . . . 81 . . . 5145 1 663 . 1 1 61 61 TYR N N 15 119.3 0.1 . 1 . . . . 82 . . . 5145 1 664 . 1 1 61 61 TYR H H 1 7.29 0.02 . 1 . . . . 82 . . . 5145 1 665 . 1 1 61 61 TYR CA C 13 61.4 0.1 . 1 . . . . 82 . . . 5145 1 666 . 1 1 61 61 TYR HA H 1 3.64 0.02 . 1 . . . . 82 . . . 5145 1 667 . 1 1 61 61 TYR CB C 13 35.7 0.1 . 1 . . . . 82 . . . 5145 1 668 . 1 1 61 61 TYR HB2 H 1 2.12 0.02 . 2 . . . . 82 . . . 5145 1 669 . 1 1 61 61 TYR HB3 H 1 2.30 0.02 . 2 . . . . 82 . . . 5145 1 670 . 1 1 61 61 TYR HD1 H 1 6.77 0.02 . 1 . . . . 82 . . . 5145 1 671 . 1 1 61 61 TYR HD2 H 1 6.77 0.02 . 1 . . . . 82 . . . 5145 1 672 . 1 1 61 61 TYR HE1 H 1 6.86 0.02 . 1 . . . . 82 . . . 5145 1 673 . 1 1 61 61 TYR HE2 H 1 6.86 0.02 . 1 . . . . 82 . . . 5145 1 674 . 1 1 61 61 TYR CD1 C 13 133.8 0.1 . 1 . . . . 82 . . . 5145 1 675 . 1 1 61 61 TYR CE1 C 13 118.4 0.1 . 1 . . . . 82 . . . 5145 1 676 . 1 1 62 62 TRP N N 15 120.0 0.1 . 1 . . . . 83 . . . 5145 1 677 . 1 1 62 62 TRP H H 1 6.01 0.02 . 1 . . . . 83 . . . 5145 1 678 . 1 1 62 62 TRP CA C 13 57.0 0.1 . 1 . . . . 83 . . . 5145 1 679 . 1 1 62 62 TRP HA H 1 4.10 0.02 . 1 . . . . 83 . . . 5145 1 680 . 1 1 62 62 TRP CB C 13 27.2 0.1 . 1 . . . . 83 . . . 5145 1 681 . 1 1 62 62 TRP HB2 H 1 2.57 0.02 . 2 . . . . 83 . . . 5145 1 682 . 1 1 62 62 TRP HB3 H 1 3.21 0.02 . 2 . . . . 83 . . . 5145 1 683 . 1 1 62 62 TRP CD1 C 13 126.0 0.1 . 1 . . . . 83 . . . 5145 1 684 . 1 1 62 62 TRP CE3 C 13 119.9 0.1 . 1 . . . . 83 . . . 5145 1 685 . 1 1 62 62 TRP NE1 N 15 130.4 0.1 . 1 . . . . 83 . . . 5145 1 686 . 1 1 62 62 TRP HD1 H 1 6.47 0.02 . 1 . . . . 83 . . . 5145 1 687 . 1 1 62 62 TRP HE3 H 1 6.75 0.02 . 1 . . . . 83 . . . 5145 1 688 . 1 1 62 62 TRP CZ3 C 13 122.7 0.1 . 1 . . . . 83 . . . 5145 1 689 . 1 1 62 62 TRP CZ2 C 13 114.6 0.1 . 1 . . . . 83 . . . 5145 1 690 . 1 1 62 62 TRP HE1 H 1 9.96 0.02 . 1 . . . . 83 . . . 5145 1 691 . 1 1 62 62 TRP HZ3 H 1 6.84 0.02 . 1 . . . . 83 . . . 5145 1 692 . 1 1 62 62 TRP CH2 C 13 125.4 0.1 . 1 . . . . 83 . . . 5145 1 693 . 1 1 62 62 TRP HZ2 H 1 7.34 0.02 . 1 . . . . 83 . . . 5145 1 694 . 1 1 62 62 TRP HH2 H 1 7.04 0.02 . 1 . . . . 83 . . . 5145 1 695 . 1 1 63 63 GLN N N 15 118.2 0.1 . 1 . . . . 84 . . . 5145 1 696 . 1 1 63 63 GLN H H 1 7.36 0.02 . 1 . . . . 84 . . . 5145 1 697 . 1 1 63 63 GLN CA C 13 55.9 0.1 . 1 . . . . 84 . . . 5145 1 698 . 1 1 63 63 GLN HA H 1 3.91 0.02 . 1 . . . . 84 . . . 5145 1 699 . 1 1 63 63 GLN CB C 13 28.3 0.1 . 1 . . . . 84 . . . 5145 1 700 . 1 1 63 63 GLN HB2 H 1 1.16 0.02 . 2 . . . . 84 . . . 5145 1 701 . 1 1 63 63 GLN HB3 H 1 1.47 0.02 . 2 . . . . 84 . . . 5145 1 702 . 1 1 63 63 GLN CG C 13 32.7 0.1 . 1 . . . . 84 . . . 5145 1 703 . 1 1 63 63 GLN HG2 H 1 0.84 0.02 . 2 . . . . 84 . . . 5145 1 704 . 1 1 63 63 GLN HG3 H 1 1.22 0.02 . 2 . . . . 84 . . . 5145 1 705 . 1 1 63 63 GLN NE2 N 15 110.8 0.1 . 1 . . . . 84 . . . 5145 1 706 . 1 1 63 63 GLN HE21 H 1 6.28 0.02 . 2 . . . . 84 . . . 5145 1 707 . 1 1 63 63 GLN HE22 H 1 6.50 0.02 . 2 . . . . 84 . . . 5145 1 708 . 1 1 64 64 PHE N N 15 119.2 0.1 . 1 . . . . 85 . . . 5145 1 709 . 1 1 64 64 PHE H H 1 7.47 0.02 . 1 . . . . 85 . . . 5145 1 710 . 1 1 64 64 PHE CA C 13 56.3 0.1 . 1 . . . . 85 . . . 5145 1 711 . 1 1 64 64 PHE HA H 1 4.39 0.02 . 1 . . . . 85 . . . 5145 1 712 . 1 1 64 64 PHE CB C 13 40.3 0.1 . 1 . . . . 85 . . . 5145 1 713 . 1 1 64 64 PHE HB2 H 1 2.96 0.02 . 2 . . . . 85 . . . 5145 1 714 . 1 1 64 64 PHE HB3 H 1 3.00 0.02 . 2 . . . . 85 . . . 5145 1 715 . 1 1 64 64 PHE HD1 H 1 6.95 0.02 . 1 . . . . 85 . . . 5145 1 716 . 1 1 64 64 PHE HD2 H 1 6.95 0.02 . 1 . . . . 85 . . . 5145 1 717 . 1 1 64 64 PHE HE1 H 1 6.71 0.02 . 1 . . . . 85 . . . 5145 1 718 . 1 1 64 64 PHE HE2 H 1 6.71 0.02 . 1 . . . . 85 . . . 5145 1 719 . 1 1 64 64 PHE CD1 C 13 131.8 0.1 . 1 . . . . 85 . . . 5145 1 720 . 1 1 64 64 PHE CE1 C 13 130.1 0.1 . 1 . . . . 85 . . . 5145 1 721 . 1 1 64 64 PHE HZ H 1 6.84 0.02 . 1 . . . . 85 . . . 5145 1 722 . 1 1 65 65 PRO CD C 13 49.6 0.1 . 1 . . . . 86 . . . 5145 1 723 . 1 1 65 65 PRO CA C 13 62.5 0.1 . 1 . . . . 86 . . . 5145 1 724 . 1 1 65 65 PRO HA H 1 4.46 0.02 . 1 . . . . 86 . . . 5145 1 725 . 1 1 65 65 PRO CB C 13 34.6 0.1 . 1 . . . . 86 . . . 5145 1 726 . 1 1 65 65 PRO HB2 H 1 2.00 0.02 . 2 . . . . 86 . . . 5145 1 727 . 1 1 65 65 PRO HB3 H 1 2.26 0.02 . 2 . . . . 86 . . . 5145 1 728 . 1 1 65 65 PRO HD2 H 1 2.98 0.02 . 2 . . . . 86 . . . 5145 1 729 . 1 1 65 65 PRO HD3 H 1 3.27 0.02 . 2 . . . . 86 . . . 5145 1 730 . 1 1 66 66 ASP N N 15 117.3 0.1 . 1 . . . . 87 . . . 5145 1 731 . 1 1 66 66 ASP H H 1 9.02 0.02 . 1 . . . . 87 . . . 5145 1 732 . 1 1 66 66 ASP HA H 1 4.68 0.02 . 1 . . . . 87 . . . 5145 1 733 . 1 1 67 67 GLY N N 15 104.4 0.1 . 1 . . . . 88 . . . 5145 1 734 . 1 1 67 67 GLY H H 1 7.78 0.02 . 1 . . . . 88 . . . 5145 1 735 . 1 1 67 67 GLY CA C 13 45.8 0.1 . 1 . . . . 88 . . . 5145 1 736 . 1 1 67 67 GLY HA2 H 1 3.74 0.02 . 2 . . . . 88 . . . 5145 1 737 . 1 1 67 67 GLY HA3 H 1 4.20 0.02 . 2 . . . . 88 . . . 5145 1 738 . 1 1 68 68 ILE N N 15 119.2 0.1 . 1 . . . . 89 . . . 5145 1 739 . 1 1 68 68 ILE H H 1 8.68 0.02 . 1 . . . . 89 . . . 5145 1 740 . 1 1 68 68 ILE CA C 13 60.4 0.1 . 1 . . . . 89 . . . 5145 1 741 . 1 1 68 68 ILE HA H 1 4.67 0.02 . 1 . . . . 89 . . . 5145 1 742 . 1 1 68 68 ILE HG21 H 1 0.69 0.02 . 1 . . . . 89 . . . 5145 1 743 . 1 1 68 68 ILE HG22 H 1 0.69 0.02 . 1 . . . . 89 . . . 5145 1 744 . 1 1 68 68 ILE HG23 H 1 0.69 0.02 . 1 . . . . 89 . . . 5145 1 745 . 1 1 68 68 ILE CG2 C 13 17.7 0.1 . 1 . . . . 89 . . . 5145 1 746 . 1 1 68 68 ILE CG1 C 13 17.3 0.1 . 1 . . . . 89 . . . 5145 1 747 . 1 1 68 68 ILE HG12 H 1 1.45 0.02 . 2 . . . . 89 . . . 5145 1 748 . 1 1 68 68 ILE HG13 H 1 1.19 0.02 . 2 . . . . 89 . . . 5145 1 749 . 1 1 68 68 ILE HD11 H 1 0.46 0.02 . 1 . . . . 89 . . . 5145 1 750 . 1 1 68 68 ILE HD12 H 1 0.46 0.02 . 1 . . . . 89 . . . 5145 1 751 . 1 1 68 68 ILE HD13 H 1 0.46 0.02 . 1 . . . . 89 . . . 5145 1 752 . 1 1 68 68 ILE CD1 C 13 13.5 0.1 . 1 . . . . 89 . . . 5145 1 753 . 1 1 69 69 HIS N N 15 126.0 0.1 . 1 . . . . 90 . . . 5145 1 754 . 1 1 69 69 HIS H H 1 9.28 0.02 . 1 . . . . 90 . . . 5145 1 755 . 1 1 69 69 HIS HA H 1 4.67 0.02 . 1 . . . . 90 . . . 5145 1 756 . 1 1 69 69 HIS CB C 13 54.9 0.1 . 1 . . . . 90 . . . 5145 1 757 . 1 1 69 69 HIS HB2 H 1 3.10 0.02 . 2 . . . . 90 . . . 5145 1 758 . 1 1 69 69 HIS HB3 H 1 3.22 0.02 . 2 . . . . 90 . . . 5145 1 759 . 1 1 69 69 HIS HD2 H 1 6.91 0.02 . 1 . . . . 90 . . . 5145 1 760 . 1 1 69 69 HIS HE1 H 1 8.47 0.02 . 1 . . . . 90 . . . 5145 1 761 . 1 1 70 70 TYR CA C 13 59.5 0.1 . 1 . . . . 91 . . . 5145 1 762 . 1 1 70 70 TYR HA H 1 4.26 0.02 . 1 . . . . 91 . . . 5145 1 763 . 1 1 70 70 TYR CB C 13 40.7 0.1 . 1 . . . . 91 . . . 5145 1 764 . 1 1 70 70 TYR HB2 H 1 2.34 0.02 . 2 . . . . 91 . . . 5145 1 765 . 1 1 70 70 TYR HB3 H 1 2.89 0.02 . 2 . . . . 91 . . . 5145 1 766 . 1 1 70 70 TYR HD1 H 1 6.59 0.02 . 1 . . . . 91 . . . 5145 1 767 . 1 1 70 70 TYR HD2 H 1 6.59 0.02 . 1 . . . . 91 . . . 5145 1 768 . 1 1 70 70 TYR HE1 H 1 6.07 0.02 . 1 . . . . 91 . . . 5145 1 769 . 1 1 70 70 TYR HE2 H 1 6.07 0.02 . 1 . . . . 91 . . . 5145 1 770 . 1 1 70 70 TYR CD1 C 13 132.1 0.1 . 1 . . . . 91 . . . 5145 1 771 . 1 1 70 70 TYR CE1 C 13 117.9 0.1 . 1 . . . . 91 . . . 5145 1 772 . 1 1 71 71 ASN N N 15 127.9 0.1 . 1 . . . . 92 . . . 5145 1 773 . 1 1 71 71 ASN H H 1 8.60 0.02 . 1 . . . . 92 . . . 5145 1 774 . 1 1 71 71 ASN CA C 13 52.3 0.1 . 1 . . . . 92 . . . 5145 1 775 . 1 1 71 71 ASN HA H 1 4.72 0.02 . 1 . . . . 92 . . . 5145 1 776 . 1 1 71 71 ASN CB C 13 38.0 0.1 . 1 . . . . 92 . . . 5145 1 777 . 1 1 71 71 ASN HB2 H 1 2.46 0.02 . 2 . . . . 92 . . . 5145 1 778 . 1 1 71 71 ASN HB3 H 1 2.66 0.02 . 2 . . . . 92 . . . 5145 1 779 . 1 1 71 71 ASN ND2 N 15 112.3 0.1 . 1 . . . . 92 . . . 5145 1 780 . 1 1 71 71 ASN HD21 H 1 6.87 0.02 . 2 . . . . 92 . . . 5145 1 781 . 1 1 71 71 ASN HD22 H 1 7.50 0.02 . 2 . . . . 92 . . . 5145 1 782 . 1 1 72 72 GLY N N 15 106.7 0.1 . 1 . . . . 93 . . . 5145 1 783 . 1 1 72 72 GLY H H 1 7.50 0.02 . 1 . . . . 93 . . . 5145 1 784 . 1 1 72 72 GLY CA C 13 46.0 0.1 . 1 . . . . 93 . . . 5145 1 785 . 1 1 72 72 GLY HA2 H 1 3.42 0.02 . 2 . . . . 93 . . . 5145 1 786 . 1 1 72 72 GLY HA3 H 1 3.84 0.02 . 2 . . . . 93 . . . 5145 1 787 . 1 1 73 73 CYS N N 15 118.2 0.1 . 1 . . . . 94 . . . 5145 1 788 . 1 1 73 73 CYS H H 1 8.23 0.02 . 1 . . . . 94 . . . 5145 1 789 . 1 1 73 73 CYS HA H 1 4.68 0.02 . 1 . . . . 94 . . . 5145 1 790 . 1 1 73 73 CYS CB C 13 39.0 0.1 . 1 . . . . 94 . . . 5145 1 791 . 1 1 73 73 CYS HB2 H 1 2.77 0.02 . 2 . . . . 94 . . . 5145 1 792 . 1 1 73 73 CYS HB3 H 1 3.07 0.02 . 2 . . . . 94 . . . 5145 1 793 . 1 1 74 74 SER N N 15 115.7 0.1 . 1 . . . . 95 . . . 5145 1 794 . 1 1 74 74 SER H H 1 8.07 0.02 . 1 . . . . 95 . . . 5145 1 795 . 1 1 74 74 SER CA C 13 59.1 0.1 . 1 . . . . 95 . . . 5145 1 796 . 1 1 74 74 SER HA H 1 4.23 0.02 . 1 . . . . 95 . . . 5145 1 797 . 1 1 74 74 SER CB C 13 63.5 0.1 . 1 . . . . 95 . . . 5145 1 798 . 1 1 74 74 SER HB2 H 1 3.71 0.02 . 2 . . . . 95 . . . 5145 1 799 . 1 1 74 74 SER HB3 H 1 3.81 0.02 . 2 . . . . 95 . . . 5145 1 800 . 1 1 75 75 GLU N N 15 121.1 0.1 . 1 . . . . 96 . . . 5145 1 801 . 1 1 75 75 GLU H H 1 7.80 0.02 . 1 . . . . 96 . . . 5145 1 802 . 1 1 75 75 GLU CA C 13 56.1 0.1 . 1 . . . . 96 . . . 5145 1 803 . 1 1 75 75 GLU HA H 1 4.15 0.02 . 1 . . . . 96 . . . 5145 1 804 . 1 1 75 75 GLU CB C 13 29.6 0.1 . 1 . . . . 96 . . . 5145 1 805 . 1 1 75 75 GLU HB2 H 1 1.81 0.02 . 2 . . . . 96 . . . 5145 1 806 . 1 1 75 75 GLU HB3 H 1 1.96 0.02 . 2 . . . . 96 . . . 5145 1 807 . 1 1 75 75 GLU CG C 13 34.8 0.1 . 1 . . . . 96 . . . 5145 1 808 . 1 1 75 75 GLU HG2 H 1 2.15 0.02 . 1 . . . . 96 . . . 5145 1 809 . 1 1 75 75 GLU HG3 H 1 2.15 0.02 . 1 . . . . 96 . . . 5145 1 810 . 1 1 76 76 ALA N N 15 123.6 0.1 . 1 . . . . 97 . . . 5145 1 811 . 1 1 76 76 ALA H H 1 8.04 0.02 . 1 . . . . 97 . . . 5145 1 812 . 1 1 76 76 ALA CA C 13 53.0 0.1 . 1 . . . . 97 . . . 5145 1 813 . 1 1 76 76 ALA HA H 1 3.73 0.02 . 1 . . . . 97 . . . 5145 1 814 . 1 1 76 76 ALA HB1 H 1 1.10 0.02 . 1 . . . . 97 . . . 5145 1 815 . 1 1 76 76 ALA HB2 H 1 1.10 0.02 . 1 . . . . 97 . . . 5145 1 816 . 1 1 76 76 ALA HB3 H 1 1.10 0.02 . 1 . . . . 97 . . . 5145 1 817 . 1 1 76 76 ALA CB C 13 18.8 0.1 . 1 . . . . 97 . . . 5145 1 818 . 1 1 77 77 ASN N N 15 115.2 0.1 . 1 . . . . 98 . . . 5145 1 819 . 1 1 77 77 ASN H H 1 8.02 0.02 . 1 . . . . 98 . . . 5145 1 820 . 1 1 77 77 ASN CA C 13 53.4 0.1 . 1 . . . . 98 . . . 5145 1 821 . 1 1 77 77 ASN HA H 1 4.40 0.02 . 1 . . . . 98 . . . 5145 1 822 . 1 1 77 77 ASN CB C 13 37.8 0.1 . 1 . . . . 98 . . . 5145 1 823 . 1 1 77 77 ASN HB2 H 1 2.69 0.02 . 1 . . . . 98 . . . 5145 1 824 . 1 1 77 77 ASN HB3 H 1 2.69 0.02 . 1 . . . . 98 . . . 5145 1 825 . 1 1 77 77 ASN ND2 N 15 112.5 0.1 . 1 . . . . 98 . . . 5145 1 826 . 1 1 77 77 ASN HD21 H 1 6.74 0.02 . 2 . . . . 98 . . . 5145 1 827 . 1 1 77 77 ASN HD22 H 1 7.46 0.02 . 2 . . . . 98 . . . 5145 1 828 . 1 1 78 78 VAL N N 15 119.4 0.1 . 1 . . . . 99 . . . 5145 1 829 . 1 1 78 78 VAL H H 1 7.60 0.02 . 1 . . . . 99 . . . 5145 1 830 . 1 1 78 78 VAL CA C 13 62.0 0.1 . 1 . . . . 99 . . . 5145 1 831 . 1 1 78 78 VAL HA H 1 4.27 0.02 . 1 . . . . 99 . . . 5145 1 832 . 1 1 78 78 VAL CB C 13 33.4 0.1 . 1 . . . . 99 . . . 5145 1 833 . 1 1 78 78 VAL HB H 1 2.23 0.02 . 1 . . . . 99 . . . 5145 1 834 . 1 1 78 78 VAL HG11 H 1 1.12 0.02 . 2 . . . . 99 . . . 5145 1 835 . 1 1 78 78 VAL HG12 H 1 1.12 0.02 . 2 . . . . 99 . . . 5145 1 836 . 1 1 78 78 VAL HG13 H 1 1.12 0.02 . 2 . . . . 99 . . . 5145 1 837 . 1 1 78 78 VAL HG21 H 1 1.14 0.02 . 2 . . . . 99 . . . 5145 1 838 . 1 1 78 78 VAL HG22 H 1 1.14 0.02 . 2 . . . . 99 . . . 5145 1 839 . 1 1 78 78 VAL HG23 H 1 1.14 0.02 . 2 . . . . 99 . . . 5145 1 840 . 1 1 78 78 VAL CG1 C 13 21.1 0.1 . 1 . . . . 99 . . . 5145 1 841 . 1 1 78 78 VAL CG2 C 13 21.1 0.1 . 1 . . . . 99 . . . 5145 1 842 . 1 1 79 79 THR N N 15 116.0 0.1 . 1 . . . . 100 . . . 5145 1 843 . 1 1 79 79 THR H H 1 7.93 0.02 . 1 . . . . 100 . . . 5145 1 844 . 1 1 79 79 THR CA C 13 60.6 0.1 . 1 . . . . 100 . . . 5145 1 845 . 1 1 79 79 THR HA H 1 4.38 0.02 . 1 . . . . 100 . . . 5145 1 846 . 1 1 79 79 THR CB C 13 71.3 0.1 . 1 . . . . 100 . . . 5145 1 847 . 1 1 79 79 THR HB H 1 4.53 0.02 . 1 . . . . 100 . . . 5145 1 848 . 1 1 79 79 THR HG21 H 1 1.25 0.02 . 1 . . . . 100 . . . 5145 1 849 . 1 1 79 79 THR HG22 H 1 1.25 0.02 . 1 . . . . 100 . . . 5145 1 850 . 1 1 79 79 THR HG23 H 1 1.25 0.02 . 1 . . . . 100 . . . 5145 1 851 . 1 1 79 79 THR CG2 C 13 22.0 0.1 . 1 . . . . 100 . . . 5145 1 852 . 1 1 80 80 LYS N N 15 122.4 0.1 . 1 . . . . 101 . . . 5145 1 853 . 1 1 80 80 LYS H H 1 8.52 0.02 . 1 . . . . 101 . . . 5145 1 854 . 1 1 80 80 LYS CA C 13 59.5 0.1 . 1 . . . . 101 . . . 5145 1 855 . 1 1 80 80 LYS HA H 1 3.56 0.02 . 1 . . . . 101 . . . 5145 1 856 . 1 1 80 80 LYS CB C 13 31.7 0.1 . 1 . . . . 101 . . . 5145 1 857 . 1 1 80 80 LYS HB2 H 1 1.08 0.02 . 2 . . . . 101 . . . 5145 1 858 . 1 1 80 80 LYS HB3 H 1 1.41 0.02 . 2 . . . . 101 . . . 5145 1 859 . 1 1 80 80 LYS CG C 13 24.5 0.1 . 1 . . . . 101 . . . 5145 1 860 . 1 1 80 80 LYS HG2 H 1 0.93 0.02 . 2 . . . . 101 . . . 5145 1 861 . 1 1 80 80 LYS HG3 H 1 0.94 0.02 . 2 . . . . 101 . . . 5145 1 862 . 1 1 80 80 LYS CD C 13 29.1 0.1 . 1 . . . . 101 . . . 5145 1 863 . 1 1 80 80 LYS HD2 H 1 1.33 0.02 . 2 . . . . 101 . . . 5145 1 864 . 1 1 80 80 LYS HD3 H 1 1.40 0.02 . 2 . . . . 101 . . . 5145 1 865 . 1 1 80 80 LYS CE C 13 42.2 0.1 . 1 . . . . 101 . . . 5145 1 866 . 1 1 80 80 LYS HE2 H 1 2.76 0.02 . 2 . . . . 101 . . . 5145 1 867 . 1 1 80 80 LYS HE3 H 1 2.79 0.02 . 2 . . . . 101 . . . 5145 1 868 . 1 1 81 81 GLU N N 15 116.8 0.1 . 1 . . . . 102 . . . 5145 1 869 . 1 1 81 81 GLU H H 1 8.50 0.02 . 1 . . . . 102 . . . 5145 1 870 . 1 1 81 81 GLU CA C 13 59.7 0.1 . 1 . . . . 102 . . . 5145 1 871 . 1 1 81 81 GLU HA H 1 3.89 0.02 . 1 . . . . 102 . . . 5145 1 872 . 1 1 81 81 GLU CB C 13 28.5 0.1 . 1 . . . . 102 . . . 5145 1 873 . 1 1 81 81 GLU HB2 H 1 1.82 0.02 . 2 . . . . 102 . . . 5145 1 874 . 1 1 81 81 GLU HB3 H 1 1.93 0.02 . 2 . . . . 102 . . . 5145 1 875 . 1 1 81 81 GLU CG C 13 35.9 0.1 . 1 . . . . 102 . . . 5145 1 876 . 1 1 81 81 GLU HG2 H 1 2.18 0.02 . 2 . . . . 102 . . . 5145 1 877 . 1 1 81 81 GLU HG3 H 1 2.29 0.02 . 2 . . . . 102 . . . 5145 1 878 . 1 1 82 82 ALA N N 15 122.5 0.1 . 1 . . . . 103 . . . 5145 1 879 . 1 1 82 82 ALA H H 1 7.75 0.02 . 1 . . . . 103 . . . 5145 1 880 . 1 1 82 82 ALA CA C 13 54.7 0.1 . 1 . . . . 103 . . . 5145 1 881 . 1 1 82 82 ALA HA H 1 4.04 0.02 . 1 . . . . 103 . . . 5145 1 882 . 1 1 82 82 ALA HB1 H 1 1.41 0.02 . 1 . . . . 103 . . . 5145 1 883 . 1 1 82 82 ALA HB2 H 1 1.41 0.02 . 1 . . . . 103 . . . 5145 1 884 . 1 1 82 82 ALA HB3 H 1 1.41 0.02 . 1 . . . . 103 . . . 5145 1 885 . 1 1 82 82 ALA CB C 13 18.6 0.1 . 1 . . . . 103 . . . 5145 1 886 . 1 1 83 83 PHE N N 15 121.9 0.1 . 1 . . . . 104 . . . 5145 1 887 . 1 1 83 83 PHE H H 1 8.68 0.02 . 1 . . . . 104 . . . 5145 1 888 . 1 1 83 83 PHE CA C 13 61.2 0.1 . 1 . . . . 104 . . . 5145 1 889 . 1 1 83 83 PHE HA H 1 4.21 0.02 . 1 . . . . 104 . . . 5145 1 890 . 1 1 83 83 PHE CB C 13 39.7 0.1 . 1 . . . . 104 . . . 5145 1 891 . 1 1 83 83 PHE HB2 H 1 3.24 0.02 . 2 . . . . 104 . . . 5145 1 892 . 1 1 83 83 PHE HB3 H 1 3.50 0.02 . 2 . . . . 104 . . . 5145 1 893 . 1 1 83 83 PHE HD1 H 1 7.16 0.02 . 1 . . . . 104 . . . 5145 1 894 . 1 1 83 83 PHE HD2 H 1 7.16 0.02 . 1 . . . . 104 . . . 5145 1 895 . 1 1 83 83 PHE HE1 H 1 7.40 0.02 . 1 . . . . 104 . . . 5145 1 896 . 1 1 83 83 PHE HE2 H 1 7.40 0.02 . 1 . . . . 104 . . . 5145 1 897 . 1 1 83 83 PHE CD1 C 13 132.3 0.1 . 1 . . . . 104 . . . 5145 1 898 . 1 1 83 83 PHE CE1 C 13 131.5 0.1 . 1 . . . . 104 . . . 5145 1 899 . 1 1 83 83 PHE CZ C 13 129.5 0.1 . 1 . . . . 104 . . . 5145 1 900 . 1 1 83 83 PHE HZ H 1 7.29 0.02 . 1 . . . . 104 . . . 5145 1 901 . 1 1 84 84 VAL N N 15 121.1 0.1 . 1 . . . . 105 . . . 5145 1 902 . 1 1 84 84 VAL H H 1 8.69 0.02 . 1 . . . . 105 . . . 5145 1 903 . 1 1 84 84 VAL CA C 13 67.7 0.1 . 1 . . . . 105 . . . 5145 1 904 . 1 1 84 84 VAL HA H 1 3.23 0.02 . 1 . . . . 105 . . . 5145 1 905 . 1 1 84 84 VAL CB C 13 31.7 0.1 . 1 . . . . 105 . . . 5145 1 906 . 1 1 84 84 VAL HB H 1 2.10 0.02 . 1 . . . . 105 . . . 5145 1 907 . 1 1 84 84 VAL HG11 H 1 0.82 0.02 . 2 . . . . 105 . . . 5145 1 908 . 1 1 84 84 VAL HG12 H 1 0.82 0.02 . 2 . . . . 105 . . . 5145 1 909 . 1 1 84 84 VAL HG13 H 1 0.82 0.02 . 2 . . . . 105 . . . 5145 1 910 . 1 1 84 84 VAL HG21 H 1 1.11 0.02 . 2 . . . . 105 . . . 5145 1 911 . 1 1 84 84 VAL HG22 H 1 1.11 0.02 . 2 . . . . 105 . . . 5145 1 912 . 1 1 84 84 VAL HG23 H 1 1.11 0.02 . 2 . . . . 105 . . . 5145 1 913 . 1 1 84 84 VAL CG1 C 13 21.3 0.1 . 1 . . . . 105 . . . 5145 1 914 . 1 1 84 84 VAL CG2 C 13 24.1 0.1 . 1 . . . . 105 . . . 5145 1 915 . 1 1 85 85 THR N N 15 116.2 0.1 . 1 . . . . 106 . . . 5145 1 916 . 1 1 85 85 THR H H 1 7.97 0.02 . 1 . . . . 106 . . . 5145 1 917 . 1 1 85 85 THR CA C 13 66.9 0.1 . 1 . . . . 106 . . . 5145 1 918 . 1 1 85 85 THR HA H 1 3.67 0.02 . 1 . . . . 106 . . . 5145 1 919 . 1 1 85 85 THR CB C 13 68.8 0.1 . 1 . . . . 106 . . . 5145 1 920 . 1 1 85 85 THR HB H 1 4.02 0.02 . 1 . . . . 106 . . . 5145 1 921 . 1 1 85 85 THR HG21 H 1 1.09 0.02 . 1 . . . . 106 . . . 5145 1 922 . 1 1 85 85 THR HG22 H 1 1.09 0.02 . 1 . . . . 106 . . . 5145 1 923 . 1 1 85 85 THR HG23 H 1 1.09 0.02 . 1 . . . . 106 . . . 5145 1 924 . 1 1 85 85 THR CG2 C 13 21.7 0.1 . 1 . . . . 106 . . . 5145 1 925 . 1 1 86 86 GLY N N 15 108.6 0.1 . 1 . . . . 107 . . . 5145 1 926 . 1 1 86 86 GLY H H 1 7.94 0.02 . 1 . . . . 107 . . . 5145 1 927 . 1 1 86 86 GLY CA C 13 47.1 0.1 . 1 . . . . 107 . . . 5145 1 928 . 1 1 86 86 GLY HA2 H 1 3.64 0.02 . 2 . . . . 107 . . . 5145 1 929 . 1 1 86 86 GLY HA3 H 1 3.75 0.02 . 2 . . . . 107 . . . 5145 1 930 . 1 1 87 87 CYS N N 15 123.6 0.1 . 1 . . . . 108 . . . 5145 1 931 . 1 1 87 87 CYS H H 1 7.89 0.02 . 1 . . . . 108 . . . 5145 1 932 . 1 1 87 87 CYS HA H 1 4.18 0.02 . 1 . . . . 108 . . . 5145 1 933 . 1 1 87 87 CYS CB C 13 38.0 0.1 . 1 . . . . 108 . . . 5145 1 934 . 1 1 87 87 CYS HB2 H 1 2.03 0.02 . 2 . . . . 108 . . . 5145 1 935 . 1 1 87 87 CYS HB3 H 1 2.87 0.02 . 2 . . . . 108 . . . 5145 1 936 . 1 1 88 88 ILE N N 15 125.0 0.1 . 1 . . . . 109 . . . 5145 1 937 . 1 1 88 88 ILE H H 1 8.59 0.02 . 1 . . . . 109 . . . 5145 1 938 . 1 1 88 88 ILE CA C 13 65.6 0.1 . 1 . . . . 109 . . . 5145 1 939 . 1 1 88 88 ILE HA H 1 3.14 0.02 . 1 . . . . 109 . . . 5145 1 940 . 1 1 88 88 ILE CB C 13 38.0 0.1 . 1 . . . . 109 . . . 5145 1 941 . 1 1 88 88 ILE HB H 1 1.69 0.02 . 1 . . . . 109 . . . 5145 1 942 . 1 1 88 88 ILE HG21 H 1 0.70 0.02 . 1 . . . . 109 . . . 5145 1 943 . 1 1 88 88 ILE HG22 H 1 0.70 0.02 . 1 . . . . 109 . . . 5145 1 944 . 1 1 88 88 ILE HG23 H 1 0.70 0.02 . 1 . . . . 109 . . . 5145 1 945 . 1 1 88 88 ILE CG2 C 13 17.1 0.1 . 1 . . . . 109 . . . 5145 1 946 . 1 1 88 88 ILE CG1 C 13 29.1 0.1 . 1 . . . . 109 . . . 5145 1 947 . 1 1 88 88 ILE HG12 H 1 0.55 0.02 . 2 . . . . 109 . . . 5145 1 948 . 1 1 88 88 ILE HG13 H 1 1.63 0.02 . 2 . . . . 109 . . . 5145 1 949 . 1 1 88 88 ILE HD11 H 1 0.60 0.02 . 1 . . . . 109 . . . 5145 1 950 . 1 1 88 88 ILE HD12 H 1 0.60 0.02 . 1 . . . . 109 . . . 5145 1 951 . 1 1 88 88 ILE HD13 H 1 0.60 0.02 . 1 . . . . 109 . . . 5145 1 952 . 1 1 88 88 ILE CD1 C 13 14.4 0.1 . 1 . . . . 109 . . . 5145 1 953 . 1 1 89 89 ASN N N 15 118.6 0.1 . 1 . . . . 110 . . . 5145 1 954 . 1 1 89 89 ASN H H 1 8.29 0.02 . 1 . . . . 110 . . . 5145 1 955 . 1 1 89 89 ASN CA C 13 55.9 0.1 . 1 . . . . 110 . . . 5145 1 956 . 1 1 89 89 ASN HA H 1 4.27 0.02 . 1 . . . . 110 . . . 5145 1 957 . 1 1 89 89 ASN CB C 13 37.6 0.1 . 1 . . . . 110 . . . 5145 1 958 . 1 1 89 89 ASN HB2 H 1 2.62 0.02 . 2 . . . . 110 . . . 5145 1 959 . 1 1 89 89 ASN HB3 H 1 2.70 0.02 . 2 . . . . 110 . . . 5145 1 960 . 1 1 89 89 ASN ND2 N 15 111.0 0.1 . 1 . . . . 110 . . . 5145 1 961 . 1 1 89 89 ASN HD21 H 1 6.78 0.02 . 2 . . . . 110 . . . 5145 1 962 . 1 1 89 89 ASN HD22 H 1 7.38 0.02 . 2 . . . . 110 . . . 5145 1 963 . 1 1 90 90 ALA N N 15 123.0 0.1 . 1 . . . . 111 . . . 5145 1 964 . 1 1 90 90 ALA H H 1 8.18 0.02 . 1 . . . . 111 . . . 5145 1 965 . 1 1 90 90 ALA CA C 13 54.9 0.1 . 1 . . . . 111 . . . 5145 1 966 . 1 1 90 90 ALA HA H 1 4.02 0.02 . 1 . . . . 111 . . . 5145 1 967 . 1 1 90 90 ALA HB1 H 1 1.23 0.02 . 1 . . . . 111 . . . 5145 1 968 . 1 1 90 90 ALA HB2 H 1 1.23 0.02 . 1 . . . . 111 . . . 5145 1 969 . 1 1 90 90 ALA HB3 H 1 1.23 0.02 . 1 . . . . 111 . . . 5145 1 970 . 1 1 90 90 ALA CB C 13 18.2 0.1 . 1 . . . . 111 . . . 5145 1 971 . 1 1 91 91 THR N N 15 116.3 0.1 . 1 . . . . 112 . . . 5145 1 972 . 1 1 91 91 THR H H 1 8.02 0.02 . 1 . . . . 112 . . . 5145 1 973 . 1 1 91 91 THR CA C 13 66.0 0.1 . 1 . . . . 112 . . . 5145 1 974 . 1 1 91 91 THR HA H 1 4.08 0.02 . 1 . . . . 112 . . . 5145 1 975 . 1 1 91 91 THR CB C 13 67.9 0.1 . 1 . . . . 112 . . . 5145 1 976 . 1 1 91 91 THR HB H 1 4.01 0.02 . 1 . . . . 112 . . . 5145 1 977 . 1 1 91 91 THR HG21 H 1 1.23 0.02 . 1 . . . . 112 . . . 5145 1 978 . 1 1 91 91 THR HG22 H 1 1.23 0.02 . 1 . . . . 112 . . . 5145 1 979 . 1 1 91 91 THR HG23 H 1 1.23 0.02 . 1 . . . . 112 . . . 5145 1 980 . 1 1 91 91 THR HG1 H 1 4.33 0.02 . 1 . . . . 112 . . . 5145 1 981 . 1 1 91 91 THR CG2 C 13 23.0 0.1 . 1 . . . . 112 . . . 5145 1 982 . 1 1 92 92 GLN N N 15 121.9 0.1 . 1 . . . . 113 . . . 5145 1 983 . 1 1 92 92 GLN H H 1 8.06 0.02 . 1 . . . . 113 . . . 5145 1 984 . 1 1 92 92 GLN CA C 13 59.1 0.1 . 1 . . . . 113 . . . 5145 1 985 . 1 1 92 92 GLN HA H 1 3.49 0.02 . 1 . . . . 113 . . . 5145 1 986 . 1 1 92 92 GLN CB C 13 28.5 0.1 . 1 . . . . 113 . . . 5145 1 987 . 1 1 92 92 GLN HB2 H 1 1.69 0.02 . 1 . . . . 113 . . . 5145 1 988 . 1 1 92 92 GLN HB3 H 1 1.69 0.02 . 1 . . . . 113 . . . 5145 1 989 . 1 1 92 92 GLN CG C 13 34.0 0.1 . 1 . . . . 113 . . . 5145 1 990 . 1 1 92 92 GLN HG2 H 1 1.21 0.02 . 2 . . . . 113 . . . 5145 1 991 . 1 1 92 92 GLN HG3 H 1 1.87 0.02 . 2 . . . . 113 . . . 5145 1 992 . 1 1 92 92 GLN NE2 N 15 109.8 0.1 . 1 . . . . 113 . . . 5145 1 993 . 1 1 92 92 GLN HE21 H 1 6.47 0.02 . 2 . . . . 113 . . . 5145 1 994 . 1 1 92 92 GLN HE22 H 1 6.65 0.02 . 2 . . . . 113 . . . 5145 1 995 . 1 1 93 93 ALA N N 15 119.2 0.1 . 1 . . . . 114 . . . 5145 1 996 . 1 1 93 93 ALA H H 1 7.44 0.02 . 1 . . . . 114 . . . 5145 1 997 . 1 1 93 93 ALA CA C 13 54.4 0.1 . 1 . . . . 114 . . . 5145 1 998 . 1 1 93 93 ALA HA H 1 3.98 0.02 . 1 . . . . 114 . . . 5145 1 999 . 1 1 93 93 ALA HB1 H 1 1.32 0.02 . 1 . . . . 114 . . . 5145 1 1000 . 1 1 93 93 ALA HB2 H 1 1.32 0.02 . 1 . . . . 114 . . . 5145 1 1001 . 1 1 93 93 ALA HB3 H 1 1.32 0.02 . 1 . . . . 114 . . . 5145 1 1002 . 1 1 93 93 ALA CB C 13 18.2 0.1 . 1 . . . . 114 . . . 5145 1 1003 . 1 1 94 94 ALA N N 15 117.0 0.1 . 1 . . . . 115 . . . 5145 1 1004 . 1 1 94 94 ALA H H 1 7.84 0.02 . 1 . . . . 115 . . . 5145 1 1005 . 1 1 94 94 ALA CA C 13 53.0 0.1 . 1 . . . . 115 . . . 5145 1 1006 . 1 1 94 94 ALA HA H 1 4.13 0.02 . 1 . . . . 115 . . . 5145 1 1007 . 1 1 94 94 ALA HB1 H 1 1.24 0.02 . 1 . . . . 115 . . . 5145 1 1008 . 1 1 94 94 ALA HB2 H 1 1.24 0.02 . 1 . . . . 115 . . . 5145 1 1009 . 1 1 94 94 ALA HB3 H 1 1.24 0.02 . 1 . . . . 115 . . . 5145 1 1010 . 1 1 94 94 ALA CB C 13 19.0 0.1 . 1 . . . . 115 . . . 5145 1 1011 . 1 1 95 95 ASN N N 15 116.3 0.1 . 1 . . . . 116 . . . 5145 1 1012 . 1 1 95 95 ASN H H 1 7.05 0.02 . 1 . . . . 116 . . . 5145 1 1013 . 1 1 95 95 ASN CA C 13 51.1 0.1 . 1 . . . . 116 . . . 5145 1 1014 . 1 1 95 95 ASN HA H 1 5.05 0.02 . 1 . . . . 116 . . . 5145 1 1015 . 1 1 95 95 ASN CB C 13 40.7 0.1 . 1 . . . . 116 . . . 5145 1 1016 . 1 1 95 95 ASN HB2 H 1 2.34 0.02 . 2 . . . . 116 . . . 5145 1 1017 . 1 1 95 95 ASN HB3 H 1 2.38 0.02 . 2 . . . . 116 . . . 5145 1 1018 . 1 1 95 95 ASN ND2 N 15 121.7 0.1 . 1 . . . . 116 . . . 5145 1 1019 . 1 1 95 95 ASN HD21 H 1 6.67 0.02 . 2 . . . . 116 . . . 5145 1 1020 . 1 1 95 95 ASN HD22 H 1 7.92 0.02 . 2 . . . . 116 . . . 5145 1 1021 . 1 1 96 96 GLN N N 15 120.3 0.1 . 1 . . . . 117 . . . 5145 1 1022 . 1 1 96 96 GLN H H 1 8.00 0.02 . 1 . . . . 117 . . . 5145 1 1023 . 1 1 96 96 GLN CA C 13 60.1 0.1 . 1 . . . . 117 . . . 5145 1 1024 . 1 1 96 96 GLN HA H 1 4.09 0.02 . 1 . . . . 117 . . . 5145 1 1025 . 1 1 96 96 GLN CB C 13 28.7 0.1 . 1 . . . . 117 . . . 5145 1 1026 . 1 1 96 96 GLN HB2 H 1 1.96 0.02 . 2 . . . . 117 . . . 5145 1 1027 . 1 1 96 96 GLN HB3 H 1 2.02 0.02 . 2 . . . . 117 . . . 5145 1 1028 . 1 1 96 96 GLN CG C 13 34.0 0.1 . 1 . . . . 117 . . . 5145 1 1029 . 1 1 96 96 GLN HG2 H 1 2.32 0.02 . 2 . . . . 117 . . . 5145 1 1030 . 1 1 96 96 GLN HG3 H 1 2.38 0.02 . 2 . . . . 117 . . . 5145 1 1031 . 1 1 96 96 GLN NE2 N 15 112.1 0.1 . 1 . . . . 117 . . . 5145 1 1032 . 1 1 96 96 GLN HE21 H 1 6.78 0.02 . 2 . . . . 117 . . . 5145 1 1033 . 1 1 96 96 GLN HE22 H 1 7.40 0.02 . 2 . . . . 117 . . . 5145 1 1034 . 1 1 97 97 GLY N N 15 106.3 0.1 . 1 . . . . 118 . . . 5145 1 1035 . 1 1 97 97 GLY H H 1 8.73 0.02 . 1 . . . . 118 . . . 5145 1 1036 . 1 1 97 97 GLY CA C 13 46.9 0.1 . 1 . . . . 118 . . . 5145 1 1037 . 1 1 97 97 GLY HA2 H 1 3.77 0.02 . 2 . . . . 118 . . . 5145 1 1038 . 1 1 97 97 GLY HA3 H 1 3.75 0.02 . 2 . . . . 118 . . . 5145 1 1039 . 1 1 98 98 GLU N N 15 119.0 0.1 . 1 . . . . 119 . . . 5145 1 1040 . 1 1 98 98 GLU H H 1 7.68 0.02 . 1 . . . . 119 . . . 5145 1 1041 . 1 1 98 98 GLU CA C 13 57.8 0.1 . 1 . . . . 119 . . . 5145 1 1042 . 1 1 98 98 GLU HA H 1 4.00 0.02 . 1 . . . . 119 . . . 5145 1 1043 . 1 1 98 98 GLU CB C 13 29.3 0.1 . 1 . . . . 119 . . . 5145 1 1044 . 1 1 98 98 GLU HB2 H 1 1.84 0.02 . 1 . . . . 119 . . . 5145 1 1045 . 1 1 98 98 GLU HB3 H 1 1.84 0.02 . 1 . . . . 119 . . . 5145 1 1046 . 1 1 98 98 GLU CG C 13 35.5 0.1 . 1 . . . . 119 . . . 5145 1 1047 . 1 1 98 98 GLU HG2 H 1 2.17 0.02 . 2 . . . . 119 . . . 5145 1 1048 . 1 1 98 98 GLU HG3 H 1 2.19 0.02 . 2 . . . . 119 . . . 5145 1 1049 . 1 1 99 99 PHE N N 15 114.7 0.1 . 1 . . . . 120 . . . 5145 1 1050 . 1 1 99 99 PHE H H 1 7.53 0.02 . 1 . . . . 120 . . . 5145 1 1051 . 1 1 99 99 PHE CA C 13 59.9 0.1 . 1 . . . . 120 . . . 5145 1 1052 . 1 1 99 99 PHE HA H 1 4.30 0.02 . 1 . . . . 120 . . . 5145 1 1053 . 1 1 99 99 PHE CB C 13 39.9 0.1 . 1 . . . . 120 . . . 5145 1 1054 . 1 1 99 99 PHE HB2 H 1 2.86 0.02 . 2 . . . . 120 . . . 5145 1 1055 . 1 1 99 99 PHE HB3 H 1 3.28 0.02 . 2 . . . . 120 . . . 5145 1 1056 . 1 1 99 99 PHE HD1 H 1 7.29 0.02 . 1 . . . . 120 . . . 5145 1 1057 . 1 1 99 99 PHE HD2 H 1 7.29 0.02 . 1 . . . . 120 . . . 5145 1 1058 . 1 1 99 99 PHE HE1 H 1 6.82 0.02 . 1 . . . . 120 . . . 5145 1 1059 . 1 1 99 99 PHE HE2 H 1 6.82 0.02 . 1 . . . . 120 . . . 5145 1 1060 . 1 1 99 99 PHE CD1 C 13 132.4 0.1 . 1 . . . . 120 . . . 5145 1 1061 . 1 1 99 99 PHE CE1 C 13 130.5 0.1 . 1 . . . . 120 . . . 5145 1 1062 . 1 1 99 99 PHE CZ C 13 128.0 0.1 . 1 . . . . 120 . . . 5145 1 1063 . 1 1 99 99 PHE HZ H 1 6.95 0.02 . 1 . . . . 120 . . . 5145 1 1064 . 1 1 100 100 GLN N N 15 117.0 0.1 . 1 . . . . 121 . . . 5145 1 1065 . 1 1 100 100 GLN H H 1 7.73 0.02 . 1 . . . . 121 . . . 5145 1 1066 . 1 1 100 100 GLN CA C 13 55.5 0.1 . 1 . . . . 121 . . . 5145 1 1067 . 1 1 100 100 GLN HA H 1 4.33 0.02 . 1 . . . . 121 . . . 5145 1 1068 . 1 1 100 100 GLN CB C 13 28.9 0.1 . 1 . . . . 121 . . . 5145 1 1069 . 1 1 100 100 GLN HB2 H 1 1.89 0.02 . 2 . . . . 121 . . . 5145 1 1070 . 1 1 100 100 GLN HB3 H 1 2.08 0.02 . 2 . . . . 121 . . . 5145 1 1071 . 1 1 100 100 GLN CG C 13 33.8 0.1 . 1 . . . . 121 . . . 5145 1 1072 . 1 1 100 100 GLN HG2 H 1 2.31 0.02 . 2 . . . . 121 . . . 5145 1 1073 . 1 1 100 100 GLN HG3 H 1 2.40 0.02 . 2 . . . . 121 . . . 5145 1 1074 . 1 1 100 100 GLN NE2 N 15 111.6 0.1 . 1 . . . . 121 . . . 5145 1 1075 . 1 1 100 100 GLN HE21 H 1 6.72 0.02 . 2 . . . . 121 . . . 5145 1 1076 . 1 1 100 100 GLN HE22 H 1 7.39 0.02 . 2 . . . . 121 . . . 5145 1 1077 . 1 1 101 101 LYS N N 15 120.9 0.1 . 1 . . . . 122 . . . 5145 1 1078 . 1 1 101 101 LYS H H 1 7.44 0.02 . 1 . . . . 122 . . . 5145 1 1079 . 1 1 101 101 LYS CA C 13 54.7 0.1 . 1 . . . . 122 . . . 5145 1 1080 . 1 1 101 101 LYS HA H 1 4.38 0.02 . 1 . . . . 122 . . . 5145 1 1081 . 1 1 101 101 LYS CB C 13 32.3 0.1 . 1 . . . . 122 . . . 5145 1 1082 . 1 1 101 101 LYS HB2 H 1 1.59 0.02 . 2 . . . . 122 . . . 5145 1 1083 . 1 1 101 101 LYS HB3 H 1 1.63 0.02 . 2 . . . . 122 . . . 5145 1 1084 . 1 1 101 101 LYS CG C 13 24.5 0.1 . 1 . . . . 122 . . . 5145 1 1085 . 1 1 101 101 LYS HG2 H 1 1.19 0.02 . 2 . . . . 122 . . . 5145 1 1086 . 1 1 101 101 LYS HG3 H 1 1.25 0.02 . 2 . . . . 122 . . . 5145 1 1087 . 1 1 101 101 LYS CD C 13 29.1 0.1 . 1 . . . . 122 . . . 5145 1 1088 . 1 1 101 101 LYS HD2 H 1 1.42 0.02 . 1 . . . . 122 . . . 5145 1 1089 . 1 1 101 101 LYS HD3 H 1 1.42 0.02 . 1 . . . . 122 . . . 5145 1 1090 . 1 1 101 101 LYS CE C 13 41.8 0.1 . 1 . . . . 122 . . . 5145 1 1091 . 1 1 101 101 LYS HE2 H 1 2.71 0.02 . 1 . . . . 122 . . . 5145 1 1092 . 1 1 101 101 LYS HE3 H 1 2.71 0.02 . 1 . . . . 122 . . . 5145 1 1093 . 1 1 102 102 PRO CD C 13 50.4 0.1 . 1 . . . . 123 . . . 5145 1 1094 . 1 1 102 102 PRO CA C 13 63.5 0.1 . 1 . . . . 123 . . . 5145 1 1095 . 1 1 102 102 PRO HA H 1 4.28 0.02 . 1 . . . . 123 . . . 5145 1 1096 . 1 1 102 102 PRO CB C 13 31.5 0.1 . 1 . . . . 123 . . . 5145 1 1097 . 1 1 102 102 PRO HB2 H 1 1.79 0.02 . 2 . . . . 123 . . . 5145 1 1098 . 1 1 102 102 PRO HB3 H 1 2.03 0.02 . 2 . . . . 123 . . . 5145 1 1099 . 1 1 102 102 PRO CG C 13 27.2 0.1 . 1 . . . . 123 . . . 5145 1 1100 . 1 1 102 102 PRO HG2 H 1 1.83 0.02 . 2 . . . . 123 . . . 5145 1 1101 . 1 1 102 102 PRO HG3 H 1 1.86 0.02 . 2 . . . . 123 . . . 5145 1 1102 . 1 1 102 102 PRO HD2 H 1 3.48 0.02 . 2 . . . . 123 . . . 5145 1 1103 . 1 1 102 102 PRO HD3 H 1 3.61 0.02 . 2 . . . . 123 . . . 5145 1 1104 . 1 1 103 103 ASP N N 15 119.3 0.1 . 1 . . . . 124 . . . 5145 1 1105 . 1 1 103 103 ASP H H 1 8.26 0.02 . 1 . . . . 124 . . . 5145 1 1106 . 1 1 103 103 ASP CA C 13 54.0 0.1 . 1 . . . . 124 . . . 5145 1 1107 . 1 1 103 103 ASP HA H 1 4.37 0.02 . 1 . . . . 124 . . . 5145 1 1108 . 1 1 103 103 ASP CB C 13 40.9 0.1 . 1 . . . . 124 . . . 5145 1 1109 . 1 1 103 103 ASP HB2 H 1 2.47 0.02 . 2 . . . . 124 . . . 5145 1 1110 . 1 1 103 103 ASP HB3 H 1 2.52 0.02 . 2 . . . . 124 . . . 5145 1 1111 . 1 1 104 104 ASN N N 15 117.9 0.1 . 1 . . . . 125 . . . 5145 1 1112 . 1 1 104 104 ASN H H 1 8.20 0.02 . 1 . . . . 125 . . . 5145 1 1113 . 1 1 104 104 ASN CA C 13 52.5 0.1 . 1 . . . . 125 . . . 5145 1 1114 . 1 1 104 104 ASN HA H 1 4.61 0.02 . 1 . . . . 125 . . . 5145 1 1115 . 1 1 104 104 ASN CB C 13 39.0 0.1 . 1 . . . . 125 . . . 5145 1 1116 . 1 1 104 104 ASN HB2 H 1 2.60 0.02 . 2 . . . . 125 . . . 5145 1 1117 . 1 1 104 104 ASN HB3 H 1 2.72 0.02 . 2 . . . . 125 . . . 5145 1 1118 . 1 1 104 104 ASN ND2 N 15 112.9 0.1 . 1 . . . . 125 . . . 5145 1 1119 . 1 1 104 104 ASN HD21 H 1 6.51 0.02 . 2 . . . . 125 . . . 5145 1 1120 . 1 1 104 104 ASN HD22 H 1 7.66 0.02 . 2 . . . . 125 . . . 5145 1 1121 . 1 1 105 105 LYS N N 15 123.2 0.1 . 1 . . . . 126 . . . 5145 1 1122 . 1 1 105 105 LYS H H 1 8.46 0.02 . 1 . . . . 126 . . . 5145 1 1123 . 1 1 105 105 LYS CA C 13 59.5 0.1 . 1 . . . . 126 . . . 5145 1 1124 . 1 1 105 105 LYS HA H 1 3.87 0.02 . 1 . . . . 126 . . . 5145 1 1125 . 1 1 105 105 LYS CB C 13 32.3 0.1 . 1 . . . . 126 . . . 5145 1 1126 . 1 1 105 105 LYS HB2 H 1 1.67 0.02 . 2 . . . . 126 . . . 5145 1 1127 . 1 1 105 105 LYS HB3 H 1 1.73 0.02 . 2 . . . . 126 . . . 5145 1 1128 . 1 1 105 105 LYS CG C 13 24.7 0.1 . 1 . . . . 126 . . . 5145 1 1129 . 1 1 105 105 LYS HG2 H 1 1.27 0.02 . 2 . . . . 126 . . . 5145 1 1130 . 1 1 105 105 LYS HG3 H 1 1.39 0.02 . 2 . . . . 126 . . . 5145 1 1131 . 1 1 105 105 LYS CD C 13 28.9 0.1 . 1 . . . . 126 . . . 5145 1 1132 . 1 1 105 105 LYS HD2 H 1 1.56 0.02 . 1 . . . . 126 . . . 5145 1 1133 . 1 1 105 105 LYS HD3 H 1 1.56 0.02 . 1 . . . . 126 . . . 5145 1 1134 . 1 1 105 105 LYS CE C 13 42.0 0.1 . 1 . . . . 126 . . . 5145 1 1135 . 1 1 105 105 LYS HE2 H 1 2.85 0.02 . 1 . . . . 126 . . . 5145 1 1136 . 1 1 105 105 LYS HE3 H 1 2.85 0.02 . 1 . . . . 126 . . . 5145 1 1137 . 1 1 106 106 LEU N N 15 120.7 0.1 . 1 . . . . 127 . . . 5145 1 1138 . 1 1 106 106 LEU H H 1 8.00 0.02 . 1 . . . . 127 . . . 5145 1 1139 . 1 1 106 106 LEU CA C 13 57.4 0.1 . 1 . . . . 127 . . . 5145 1 1140 . 1 1 106 106 LEU HA H 1 3.90 0.02 . 1 . . . . 127 . . . 5145 1 1141 . 1 1 106 106 LEU CB C 13 40.9 0.1 . 1 . . . . 127 . . . 5145 1 1142 . 1 1 106 106 LEU HB2 H 1 0.91 0.02 . 2 . . . . 127 . . . 5145 1 1143 . 1 1 106 106 LEU HB3 H 1 1.12 0.02 . 2 . . . . 127 . . . 5145 1 1144 . 1 1 106 106 LEU CG C 13 26.8 0.1 . 1 . . . . 127 . . . 5145 1 1145 . 1 1 106 106 LEU HG H 1 1.06 0.02 . 1 . . . . 127 . . . 5145 1 1146 . 1 1 106 106 LEU HD11 H 1 0.59 0.02 . 2 . . . . 127 . . . 5145 1 1147 . 1 1 106 106 LEU HD12 H 1 0.59 0.02 . 2 . . . . 127 . . . 5145 1 1148 . 1 1 106 106 LEU HD13 H 1 0.59 0.02 . 2 . . . . 127 . . . 5145 1 1149 . 1 1 106 106 LEU HD21 H 1 0.66 0.02 . 2 . . . . 127 . . . 5145 1 1150 . 1 1 106 106 LEU HD22 H 1 0.66 0.02 . 2 . . . . 127 . . . 5145 1 1151 . 1 1 106 106 LEU HD23 H 1 0.66 0.02 . 2 . . . . 127 . . . 5145 1 1152 . 1 1 106 106 LEU CD1 C 13 24.9 0.1 . 1 . . . . 127 . . . 5145 1 1153 . 1 1 106 106 LEU CD2 C 13 23.9 0.1 . 1 . . . . 127 . . . 5145 1 1154 . 1 1 107 107 HIS N N 15 117.2 0.1 . 1 . . . . 128 . . . 5145 1 1155 . 1 1 107 107 HIS H H 1 7.71 0.02 . 1 . . . . 128 . . . 5145 1 1156 . 1 1 107 107 HIS CA C 13 60.1 0.1 . 1 . . . . 128 . . . 5145 1 1157 . 1 1 107 107 HIS HA H 1 3.71 0.02 . 1 . . . . 128 . . . 5145 1 1158 . 1 1 107 107 HIS CB C 13 28.9 0.1 . 1 . . . . 128 . . . 5145 1 1159 . 1 1 107 107 HIS HB2 H 1 3.02 0.02 . 2 . . . . 128 . . . 5145 1 1160 . 1 1 107 107 HIS HB3 H 1 3.14 0.02 . 2 . . . . 128 . . . 5145 1 1161 . 1 1 107 107 HIS HD2 H 1 7.83 0.02 . 1 . . . . 128 . . . 5145 1 1162 . 1 1 107 107 HIS HE1 H 1 8.42 0.02 . 1 . . . . 128 . . . 5145 1 1163 . 1 1 108 108 GLN N N 15 116.2 0.1 . 1 . . . . 129 . . . 5145 1 1164 . 1 1 108 108 GLN H H 1 7.70 0.02 . 1 . . . . 129 . . . 5145 1 1165 . 1 1 108 108 GLN CA C 13 59.1 0.1 . 1 . . . . 129 . . . 5145 1 1166 . 1 1 108 108 GLN HA H 1 3.93 0.02 . 1 . . . . 129 . . . 5145 1 1167 . 1 1 108 108 GLN CB C 13 28.9 0.1 . 1 . . . . 129 . . . 5145 1 1168 . 1 1 108 108 GLN HB2 H 1 2.16 0.02 . 2 . . . . 129 . . . 5145 1 1169 . 1 1 108 108 GLN HB3 H 1 2.19 0.02 . 2 . . . . 129 . . . 5145 1 1170 . 1 1 108 108 GLN CG C 13 34.0 0.1 . 1 . . . . 129 . . . 5145 1 1171 . 1 1 108 108 GLN HG2 H 1 2.39 0.02 . 2 . . . . 129 . . . 5145 1 1172 . 1 1 108 108 GLN HG3 H 1 2.46 0.02 . 2 . . . . 129 . . . 5145 1 1173 . 1 1 108 108 GLN NE2 N 15 111.4 0.1 . 1 . . . . 129 . . . 5145 1 1174 . 1 1 108 108 GLN HE21 H 1 6.83 0.02 . 2 . . . . 129 . . . 5145 1 1175 . 1 1 108 108 GLN HE22 H 1 7.49 0.02 . 2 . . . . 129 . . . 5145 1 1176 . 1 1 109 109 GLN N N 15 119.2 0.1 . 1 . . . . 130 . . . 5145 1 1177 . 1 1 109 109 GLN H H 1 8.17 0.02 . 1 . . . . 130 . . . 5145 1 1178 . 1 1 109 109 GLN CA C 13 59.3 0.1 . 1 . . . . 130 . . . 5145 1 1179 . 1 1 109 109 GLN HA H 1 4.04 0.02 . 1 . . . . 130 . . . 5145 1 1180 . 1 1 109 109 GLN CB C 13 28.7 0.1 . 1 . . . . 130 . . . 5145 1 1181 . 1 1 109 109 GLN HB2 H 1 2.02 0.02 . 2 . . . . 130 . . . 5145 1 1182 . 1 1 109 109 GLN HB3 H 1 2.17 0.02 . 2 . . . . 130 . . . 5145 1 1183 . 1 1 109 109 GLN CG C 13 34.0 0.1 . 1 . . . . 130 . . . 5145 1 1184 . 1 1 109 109 GLN HG2 H 1 2.27 0.02 . 2 . . . . 130 . . . 5145 1 1185 . 1 1 109 109 GLN HG3 H 1 2.48 0.02 . 2 . . . . 130 . . . 5145 1 1186 . 1 1 109 109 GLN NE2 N 15 110.6 0.1 . 1 . . . . 130 . . . 5145 1 1187 . 1 1 109 109 GLN HE21 H 1 6.67 0.02 . 2 . . . . 130 . . . 5145 1 1188 . 1 1 109 109 GLN HE22 H 1 7.43 0.02 . 2 . . . . 130 . . . 5145 1 1189 . 1 1 110 110 VAL N N 15 121.3 0.1 . 1 . . . . 131 . . . 5145 1 1190 . 1 1 110 110 VAL H H 1 8.14 0.02 . 1 . . . . 131 . . . 5145 1 1191 . 1 1 110 110 VAL CA C 13 66.0 0.1 . 1 . . . . 131 . . . 5145 1 1192 . 1 1 110 110 VAL HA H 1 3.25 0.02 . 1 . . . . 131 . . . 5145 1 1193 . 1 1 110 110 VAL CB C 13 31.0 0.1 . 1 . . . . 131 . . . 5145 1 1194 . 1 1 110 110 VAL HB H 1 1.62 0.02 . 1 . . . . 131 . . . 5145 1 1195 . 1 1 110 110 VAL HG11 H 1 -0.75 0.02 . 2 . . . . 131 . . . 5145 1 1196 . 1 1 110 110 VAL HG12 H 1 -0.75 0.02 . 2 . . . . 131 . . . 5145 1 1197 . 1 1 110 110 VAL HG13 H 1 -0.75 0.02 . 2 . . . . 131 . . . 5145 1 1198 . 1 1 110 110 VAL HG21 H 1 0.51 0.02 . 2 . . . . 131 . . . 5145 1 1199 . 1 1 110 110 VAL HG22 H 1 0.51 0.02 . 2 . . . . 131 . . . 5145 1 1200 . 1 1 110 110 VAL HG23 H 1 0.51 0.02 . 2 . . . . 131 . . . 5145 1 1201 . 1 1 110 110 VAL CG1 C 13 20.7 0.1 . 1 . . . . 131 . . . 5145 1 1202 . 1 1 110 110 VAL CG2 C 13 23.0 0.1 . 1 . . . . 131 . . . 5145 1 1203 . 1 1 111 111 LEU N N 15 119.2 0.1 . 1 . . . . 132 . . . 5145 1 1204 . 1 1 111 111 LEU H H 1 8.17 0.02 . 1 . . . . 132 . . . 5145 1 1205 . 1 1 111 111 LEU CA C 13 58.2 0.1 . 1 . . . . 132 . . . 5145 1 1206 . 1 1 111 111 LEU HA H 1 3.83 0.02 . 1 . . . . 132 . . . 5145 1 1207 . 1 1 111 111 LEU CB C 13 42.2 0.1 . 1 . . . . 132 . . . 5145 1 1208 . 1 1 111 111 LEU HB2 H 1 1.27 0.02 . 2 . . . . 132 . . . 5145 1 1209 . 1 1 111 111 LEU HB3 H 1 1.89 0.02 . 2 . . . . 132 . . . 5145 1 1210 . 1 1 111 111 LEU CG C 13 26.6 0.1 . 1 . . . . 132 . . . 5145 1 1211 . 1 1 111 111 LEU HG H 1 1.22 0.02 . 1 . . . . 132 . . . 5145 1 1212 . 1 1 111 111 LEU HD11 H 1 0.28 0.02 . 2 . . . . 132 . . . 5145 1 1213 . 1 1 111 111 LEU HD12 H 1 0.28 0.02 . 2 . . . . 132 . . . 5145 1 1214 . 1 1 111 111 LEU HD13 H 1 0.28 0.02 . 2 . . . . 132 . . . 5145 1 1215 . 1 1 111 111 LEU HD21 H 1 0.67 0.02 . 2 . . . . 132 . . . 5145 1 1216 . 1 1 111 111 LEU HD22 H 1 0.67 0.02 . 2 . . . . 132 . . . 5145 1 1217 . 1 1 111 111 LEU HD23 H 1 0.67 0.02 . 2 . . . . 132 . . . 5145 1 1218 . 1 1 111 111 LEU CD1 C 13 26.2 0.1 . 1 . . . . 132 . . . 5145 1 1219 . 1 1 111 111 LEU CD2 C 13 23.0 0.1 . 1 . . . . 132 . . . 5145 1 1220 . 1 1 112 112 TRP N N 15 117.1 0.1 . 1 . . . . 133 . . . 5145 1 1221 . 1 1 112 112 TRP H H 1 8.38 0.02 . 1 . . . . 133 . . . 5145 1 1222 . 1 1 112 112 TRP CA C 13 60.8 0.1 . 1 . . . . 133 . . . 5145 1 1223 . 1 1 112 112 TRP HA H 1 4.37 0.02 . 1 . . . . 133 . . . 5145 1 1224 . 1 1 112 112 TRP CB C 13 29.3 0.1 . 1 . . . . 133 . . . 5145 1 1225 . 1 1 112 112 TRP HB2 H 1 3.25 0.02 . 2 . . . . 133 . . . 5145 1 1226 . 1 1 112 112 TRP HB3 H 1 3.33 0.02 . 2 . . . . 133 . . . 5145 1 1227 . 1 1 112 112 TRP CD1 C 13 126.8 0.1 . 1 . . . . 133 . . . 5145 1 1228 . 1 1 112 112 TRP CE3 C 13 120.1 0.1 . 1 . . . . 133 . . . 5145 1 1229 . 1 1 112 112 TRP NE1 N 15 128.5 0.1 . 1 . . . . 133 . . . 5145 1 1230 . 1 1 112 112 TRP HD1 H 1 7.22 0.02 . 1 . . . . 133 . . . 5145 1 1231 . 1 1 112 112 TRP HE3 H 1 7.51 0.02 . 1 . . . . 133 . . . 5145 1 1232 . 1 1 112 112 TRP CZ3 C 13 121.2 0.1 . 1 . . . . 133 . . . 5145 1 1233 . 1 1 112 112 TRP CZ2 C 13 114.6 0.1 . 1 . . . . 133 . . . 5145 1 1234 . 1 1 112 112 TRP HE1 H 1 10.04 0.02 . 1 . . . . 133 . . . 5145 1 1235 . 1 1 112 112 TRP HZ3 H 1 6.75 0.02 . 1 . . . . 133 . . . 5145 1 1236 . 1 1 112 112 TRP CH2 C 13 124.3 0.1 . 1 . . . . 133 . . . 5145 1 1237 . 1 1 112 112 TRP HZ2 H 1 7.27 0.02 . 1 . . . . 133 . . . 5145 1 1238 . 1 1 112 112 TRP HH2 H 1 6.90 0.02 . 1 . . . . 133 . . . 5145 1 1239 . 1 1 113 113 ARG N N 15 118.8 0.1 . 1 . . . . 134 . . . 5145 1 1240 . 1 1 113 113 ARG H H 1 7.67 0.02 . 1 . . . . 134 . . . 5145 1 1241 . 1 1 113 113 ARG CA C 13 58.0 0.1 . 1 . . . . 134 . . . 5145 1 1242 . 1 1 113 113 ARG HA H 1 4.08 0.02 . 1 . . . . 134 . . . 5145 1 1243 . 1 1 113 113 ARG CB C 13 28.9 0.1 . 1 . . . . 134 . . . 5145 1 1244 . 1 1 113 113 ARG HB2 H 1 2.00 0.02 . 2 . . . . 134 . . . 5145 1 1245 . 1 1 113 113 ARG HB3 H 1 2.09 0.02 . 2 . . . . 134 . . . 5145 1 1246 . 1 1 113 113 ARG CG C 13 27.4 0.1 . 1 . . . . 134 . . . 5145 1 1247 . 1 1 113 113 ARG HG2 H 1 1.34 0.02 . 2 . . . . 134 . . . 5145 1 1248 . 1 1 113 113 ARG HG3 H 1 1.65 0.02 . 2 . . . . 134 . . . 5145 1 1249 . 1 1 113 113 ARG CD C 13 42.2 0.1 . 1 . . . . 134 . . . 5145 1 1250 . 1 1 113 113 ARG HD2 H 1 3.08 0.02 . 2 . . . . 134 . . . 5145 1 1251 . 1 1 113 113 ARG HD3 H 1 3.24 0.02 . 2 . . . . 134 . . . 5145 1 1252 . 1 1 113 113 ARG NE N 15 84.5 0.1 . 1 . . . . 134 . . . 5145 1 1253 . 1 1 113 113 ARG HE H 1 7.29 0.02 . 1 . . . . 134 . . . 5145 1 1254 . 1 1 114 114 LEU N N 15 121.1 0.1 . 1 . . . . 135 . . . 5145 1 1255 . 1 1 114 114 LEU H H 1 8.73 0.02 . 1 . . . . 135 . . . 5145 1 1256 . 1 1 114 114 LEU CA C 13 58.7 0.1 . 1 . . . . 135 . . . 5145 1 1257 . 1 1 114 114 LEU HA H 1 3.76 0.02 . 1 . . . . 135 . . . 5145 1 1258 . 1 1 114 114 LEU CB C 13 42.4 0.1 . 1 . . . . 135 . . . 5145 1 1259 . 1 1 114 114 LEU HB2 H 1 1.69 0.02 . 2 . . . . 135 . . . 5145 1 1260 . 1 1 114 114 LEU HB3 H 1 1.73 0.02 . 2 . . . . 135 . . . 5145 1 1261 . 1 1 114 114 LEU CG C 13 27.2 0.1 . 1 . . . . 135 . . . 5145 1 1262 . 1 1 114 114 LEU HG H 1 1.40 0.02 . 1 . . . . 135 . . . 5145 1 1263 . 1 1 114 114 LEU HD11 H 1 0.70 0.02 . 2 . . . . 135 . . . 5145 1 1264 . 1 1 114 114 LEU HD12 H 1 0.70 0.02 . 2 . . . . 135 . . . 5145 1 1265 . 1 1 114 114 LEU HD13 H 1 0.70 0.02 . 2 . . . . 135 . . . 5145 1 1266 . 1 1 114 114 LEU HD21 H 1 0.81 0.02 . 2 . . . . 135 . . . 5145 1 1267 . 1 1 114 114 LEU HD22 H 1 0.81 0.02 . 2 . . . . 135 . . . 5145 1 1268 . 1 1 114 114 LEU HD23 H 1 0.81 0.02 . 2 . . . . 135 . . . 5145 1 1269 . 1 1 114 114 LEU CD1 C 13 26.0 0.1 . 1 . . . . 135 . . . 5145 1 1270 . 1 1 114 114 LEU CD2 C 13 26.4 0.1 . 1 . . . . 135 . . . 5145 1 1271 . 1 1 115 115 VAL N N 15 118.4 0.1 . 1 . . . . 136 . . . 5145 1 1272 . 1 1 115 115 VAL H H 1 8.44 0.02 . 1 . . . . 136 . . . 5145 1 1273 . 1 1 115 115 VAL CA C 13 67.3 0.1 . 1 . . . . 136 . . . 5145 1 1274 . 1 1 115 115 VAL HA H 1 3.40 0.02 . 1 . . . . 136 . . . 5145 1 1275 . 1 1 115 115 VAL CB C 13 31.5 0.1 . 1 . . . . 136 . . . 5145 1 1276 . 1 1 115 115 VAL HB H 1 2.14 0.02 . 1 . . . . 136 . . . 5145 1 1277 . 1 1 115 115 VAL HG11 H 1 0.89 0.02 . 2 . . . . 136 . . . 5145 1 1278 . 1 1 115 115 VAL HG12 H 1 0.89 0.02 . 2 . . . . 136 . . . 5145 1 1279 . 1 1 115 115 VAL HG13 H 1 0.89 0.02 . 2 . . . . 136 . . . 5145 1 1280 . 1 1 115 115 VAL HG21 H 1 1.18 0.02 . 2 . . . . 136 . . . 5145 1 1281 . 1 1 115 115 VAL HG22 H 1 1.18 0.02 . 2 . . . . 136 . . . 5145 1 1282 . 1 1 115 115 VAL HG23 H 1 1.18 0.02 . 2 . . . . 136 . . . 5145 1 1283 . 1 1 115 115 VAL CG1 C 13 22.2 0.1 . 1 . . . . 136 . . . 5145 1 1284 . 1 1 115 115 VAL CG2 C 13 23.4 0.1 . 1 . . . . 136 . . . 5145 1 1285 . 1 1 116 116 GLN N N 15 118.2 0.1 . 1 . . . . 137 . . . 5145 1 1286 . 1 1 116 116 GLN H H 1 7.73 0.02 . 1 . . . . 137 . . . 5145 1 1287 . 1 1 116 116 GLN CA C 13 59.9 0.1 . 1 . . . . 137 . . . 5145 1 1288 . 1 1 116 116 GLN HA H 1 3.44 0.02 . 1 . . . . 137 . . . 5145 1 1289 . 1 1 116 116 GLN CB C 13 28.3 0.1 . 1 . . . . 137 . . . 5145 1 1290 . 1 1 116 116 GLN HB2 H 1 1.94 0.02 . 2 . . . . 137 . . . 5145 1 1291 . 1 1 116 116 GLN HB3 H 1 1.98 0.02 . 2 . . . . 137 . . . 5145 1 1292 . 1 1 116 116 GLN CG C 13 33.6 0.1 . 1 . . . . 137 . . . 5145 1 1293 . 1 1 116 116 GLN HG2 H 1 1.90 0.02 . 2 . . . . 137 . . . 5145 1 1294 . 1 1 116 116 GLN HG3 H 1 2.03 0.02 . 2 . . . . 137 . . . 5145 1 1295 . 1 1 116 116 GLN NE2 N 15 110.4 0.1 . 1 . . . . 137 . . . 5145 1 1296 . 1 1 116 116 GLN HE21 H 1 6.58 0.02 . 2 . . . . 137 . . . 5145 1 1297 . 1 1 116 116 GLN HE22 H 1 6.88 0.02 . 2 . . . . 137 . . . 5145 1 1298 . 1 1 117 117 GLU N N 15 119.3 0.1 . 1 . . . . 138 . . . 5145 1 1299 . 1 1 117 117 GLU H H 1 8.23 0.02 . 1 . . . . 138 . . . 5145 1 1300 . 1 1 117 117 GLU CA C 13 58.7 0.1 . 1 . . . . 138 . . . 5145 1 1301 . 1 1 117 117 GLU HA H 1 3.94 0.02 . 1 . . . . 138 . . . 5145 1 1302 . 1 1 117 117 GLU CB C 13 28.5 0.1 . 1 . . . . 138 . . . 5145 1 1303 . 1 1 117 117 GLU HB2 H 1 1.86 0.02 . 1 . . . . 138 . . . 5145 1 1304 . 1 1 117 117 GLU HB3 H 1 1.86 0.02 . 1 . . . . 138 . . . 5145 1 1305 . 1 1 117 117 GLU CG C 13 33.6 0.1 . 1 . . . . 138 . . . 5145 1 1306 . 1 1 117 117 GLU HG2 H 1 1.96 0.02 . 2 . . . . 138 . . . 5145 1 1307 . 1 1 117 117 GLU HG3 H 1 2.18 0.02 . 2 . . . . 138 . . . 5145 1 1308 . 1 1 118 118 LEU N N 15 118.6 0.1 . 1 . . . . 139 . . . 5145 1 1309 . 1 1 118 118 LEU H H 1 9.01 0.02 . 1 . . . . 139 . . . 5145 1 1310 . 1 1 118 118 LEU CA C 13 58.0 0.1 . 1 . . . . 139 . . . 5145 1 1311 . 1 1 118 118 LEU HA H 1 3.91 0.02 . 1 . . . . 139 . . . 5145 1 1312 . 1 1 118 118 LEU CB C 13 42.0 0.1 . 1 . . . . 139 . . . 5145 1 1313 . 1 1 118 118 LEU HB2 H 1 1.07 0.02 . 2 . . . . 139 . . . 5145 1 1314 . 1 1 118 118 LEU HB3 H 1 1.86 0.02 . 2 . . . . 139 . . . 5145 1 1315 . 1 1 118 118 LEU CG C 13 26.4 0.1 . 1 . . . . 139 . . . 5145 1 1316 . 1 1 118 118 LEU HG H 1 1.74 0.02 . 1 . . . . 139 . . . 5145 1 1317 . 1 1 118 118 LEU HD11 H 1 0.41 0.02 . 2 . . . . 139 . . . 5145 1 1318 . 1 1 118 118 LEU HD12 H 1 0.41 0.02 . 2 . . . . 139 . . . 5145 1 1319 . 1 1 118 118 LEU HD13 H 1 0.41 0.02 . 2 . . . . 139 . . . 5145 1 1320 . 1 1 118 118 LEU HD21 H 1 0.63 0.02 . 2 . . . . 139 . . . 5145 1 1321 . 1 1 118 118 LEU HD22 H 1 0.63 0.02 . 2 . . . . 139 . . . 5145 1 1322 . 1 1 118 118 LEU HD23 H 1 0.63 0.02 . 2 . . . . 139 . . . 5145 1 1323 . 1 1 118 118 LEU CD1 C 13 25.3 0.1 . 1 . . . . 139 . . . 5145 1 1324 . 1 1 118 118 LEU CD2 C 13 22.2 0.1 . 1 . . . . 139 . . . 5145 1 1325 . 1 1 119 119 CYS N N 15 116.0 0.1 . 1 . . . . 140 . . . 5145 1 1326 . 1 1 119 119 CYS H H 1 8.28 0.02 . 1 . . . . 140 . . . 5145 1 1327 . 1 1 119 119 CYS CA C 13 58.5 0.1 . 1 . . . . 140 . . . 5145 1 1328 . 1 1 119 119 CYS HA H 1 4.37 0.02 . 1 . . . . 140 . . . 5145 1 1329 . 1 1 119 119 CYS CB C 13 39.0 0.1 . 1 . . . . 140 . . . 5145 1 1330 . 1 1 119 119 CYS HB2 H 1 2.69 0.02 . 2 . . . . 140 . . . 5145 1 1331 . 1 1 119 119 CYS HB3 H 1 2.97 0.02 . 2 . . . . 140 . . . 5145 1 1332 . 1 1 120 120 SER N N 15 114.5 0.1 . 1 . . . . 141 . . . 5145 1 1333 . 1 1 120 120 SER H H 1 7.81 0.02 . 1 . . . . 141 . . . 5145 1 1334 . 1 1 120 120 SER CA C 13 60.8 0.1 . 1 . . . . 141 . . . 5145 1 1335 . 1 1 120 120 SER HA H 1 4.25 0.02 . 1 . . . . 141 . . . 5145 1 1336 . 1 1 120 120 SER CB C 13 63.3 0.1 . 1 . . . . 141 . . . 5145 1 1337 . 1 1 120 120 SER HB2 H 1 3.89 0.02 . 2 . . . . 141 . . . 5145 1 1338 . 1 1 120 120 SER HB3 H 1 3.98 0.02 . 2 . . . . 141 . . . 5145 1 1339 . 1 1 121 121 LEU N N 15 120.1 0.1 . 1 . . . . 142 . . . 5145 1 1340 . 1 1 121 121 LEU H H 1 7.45 0.02 . 1 . . . . 142 . . . 5145 1 1341 . 1 1 121 121 LEU CA C 13 55.3 0.1 . 1 . . . . 142 . . . 5145 1 1342 . 1 1 121 121 LEU HA H 1 4.18 0.02 . 1 . . . . 142 . . . 5145 1 1343 . 1 1 121 121 LEU CB C 13 42.8 0.1 . 1 . . . . 142 . . . 5145 1 1344 . 1 1 121 121 LEU HB2 H 1 1.55 0.02 . 2 . . . . 142 . . . 5145 1 1345 . 1 1 121 121 LEU HB3 H 1 1.63 0.02 . 2 . . . . 142 . . . 5145 1 1346 . 1 1 121 121 LEU CG C 13 26.4 0.1 . 1 . . . . 142 . . . 5145 1 1347 . 1 1 121 121 LEU HG H 1 1.75 0.02 . 1 . . . . 142 . . . 5145 1 1348 . 1 1 121 121 LEU HD11 H 1 0.74 0.02 . 1 . . . . 142 . . . 5145 1 1349 . 1 1 121 121 LEU HD12 H 1 0.74 0.02 . 1 . . . . 142 . . . 5145 1 1350 . 1 1 121 121 LEU HD13 H 1 0.74 0.02 . 1 . . . . 142 . . . 5145 1 1351 . 1 1 121 121 LEU HD21 H 1 0.74 0.02 . 1 . . . . 142 . . . 5145 1 1352 . 1 1 121 121 LEU HD22 H 1 0.74 0.02 . 1 . . . . 142 . . . 5145 1 1353 . 1 1 121 121 LEU HD23 H 1 0.74 0.02 . 1 . . . . 142 . . . 5145 1 1354 . 1 1 121 121 LEU CD1 C 13 25.1 0.1 . 1 . . . . 142 . . . 5145 1 1355 . 1 1 121 121 LEU CD2 C 13 22.6 0.1 . 1 . . . . 142 . . . 5145 1 1356 . 1 1 122 122 LYS CA C 13 55.9 0.1 . 1 . . . . 143 . . . 5145 1 1357 . 1 1 122 122 LYS HA H 1 4.18 0.02 . 1 . . . . 143 . . . 5145 1 1358 . 1 1 123 123 HIS N N 15 117.0 0.1 . 1 . . . . 144 . . . 5145 1 1359 . 1 1 123 123 HIS H H 1 8.30 0.02 . 1 . . . . 144 . . . 5145 1 1360 . 1 1 123 123 HIS CA C 13 54.4 0.1 . 1 . . . . 144 . . . 5145 1 1361 . 1 1 123 123 HIS HA H 1 4.50 0.02 . 1 . . . . 144 . . . 5145 1 1362 . 1 1 123 123 HIS CB C 13 30.6 0.1 . 1 . . . . 144 . . . 5145 1 1363 . 1 1 123 123 HIS HB2 H 1 2.90 0.02 . 2 . . . . 144 . . . 5145 1 1364 . 1 1 123 123 HIS HB3 H 1 3.04 0.02 . 2 . . . . 144 . . . 5145 1 1365 . 1 1 123 123 HIS HD2 H 1 6.93 0.02 . 1 . . . . 144 . . . 5145 1 1366 . 1 1 123 123 HIS HE1 H 1 8.47 0.02 . 1 . . . . 144 . . . 5145 1 1367 . 1 1 124 124 CYS CA C 13 52.8 0.1 . 1 . . . . 145 . . . 5145 1 1368 . 1 1 124 124 CYS HA H 1 4.37 0.02 . 1 . . . . 145 . . . 5145 1 1369 . 1 1 125 125 GLU N N 15 124.1 0.1 . 1 . . . . 146 . . . 5145 1 1370 . 1 1 125 125 GLU H H 1 8.79 0.02 . 1 . . . . 146 . . . 5145 1 1371 . 1 1 125 125 GLU CA C 13 57.8 0.1 . 1 . . . . 146 . . . 5145 1 1372 . 1 1 125 125 GLU HA H 1 3.83 0.02 . 1 . . . . 146 . . . 5145 1 1373 . 1 1 125 125 GLU CB C 13 28.9 0.1 . 1 . . . . 146 . . . 5145 1 1374 . 1 1 125 125 GLU HB2 H 1 1.69 0.02 . 2 . . . . 146 . . . 5145 1 1375 . 1 1 125 125 GLU HB3 H 1 1.71 0.02 . 2 . . . . 146 . . . 5145 1 1376 . 1 1 125 125 GLU CG C 13 35.0 0.1 . 1 . . . . 146 . . . 5145 1 1377 . 1 1 125 125 GLU HG2 H 1 2.00 0.02 . 2 . . . . 146 . . . 5145 1 1378 . 1 1 125 125 GLU HG3 H 1 2.05 0.02 . 2 . . . . 146 . . . 5145 1 1379 . 1 1 126 126 PHE CA C 13 56.8 0.1 . 1 . . . . 147 . . . 5145 1 1380 . 1 1 126 126 PHE HA H 1 4.45 0.02 . 1 . . . . 147 . . . 5145 1 1381 . 1 1 126 126 PHE CB C 13 38.4 0.1 . 1 . . . . 147 . . . 5145 1 1382 . 1 1 126 126 PHE HB2 H 1 2.90 0.02 . 2 . . . . 147 . . . 5145 1 1383 . 1 1 126 126 PHE HB3 H 1 3.00 0.02 . 2 . . . . 147 . . . 5145 1 1384 . 1 1 126 126 PHE HD1 H 1 7.00 0.02 . 1 . . . . 147 . . . 5145 1 1385 . 1 1 126 126 PHE HD2 H 1 7.00 0.02 . 1 . . . . 147 . . . 5145 1 1386 . 1 1 126 126 PHE HE1 H 1 7.22 0.02 . 1 . . . . 147 . . . 5145 1 1387 . 1 1 126 126 PHE HE2 H 1 7.22 0.02 . 1 . . . . 147 . . . 5145 1 1388 . 1 1 126 126 PHE CD1 C 13 131.8 0.1 . 1 . . . . 147 . . . 5145 1 1389 . 1 1 127 127 TRP N N 15 121.1 0.1 . 1 . . . . 148 . . . 5145 1 1390 . 1 1 127 127 TRP H H 1 7.31 0.02 . 1 . . . . 148 . . . 5145 1 1391 . 1 1 127 127 TRP CA C 13 56.1 0.1 . 1 . . . . 148 . . . 5145 1 1392 . 1 1 127 127 TRP HA H 1 4.72 0.02 . 1 . . . . 148 . . . 5145 1 1393 . 1 1 127 127 TRP CB C 13 29.1 0.1 . 1 . . . . 148 . . . 5145 1 1394 . 1 1 127 127 TRP HB2 H 1 3.03 0.02 . 2 . . . . 148 . . . 5145 1 1395 . 1 1 127 127 TRP HB3 H 1 3.09 0.02 . 2 . . . . 148 . . . 5145 1 1396 . 1 1 127 127 TRP CD1 C 13 125.4 0.1 . 1 . . . . 148 . . . 5145 1 1397 . 1 1 127 127 TRP CE3 C 13 119.9 0.1 . 1 . . . . 148 . . . 5145 1 1398 . 1 1 127 127 TRP NE1 N 15 128.5 0.1 . 1 . . . . 148 . . . 5145 1 1399 . 1 1 127 127 TRP HD1 H 1 6.99 0.02 . 1 . . . . 148 . . . 5145 1 1400 . 1 1 127 127 TRP HE3 H 1 7.34 0.02 . 1 . . . . 148 . . . 5145 1 1401 . 1 1 127 127 TRP CZ3 C 13 122.0 0.1 . 1 . . . . 148 . . . 5145 1 1402 . 1 1 127 127 TRP CZ2 C 13 134.7 0.1 . 1 . . . . 148 . . . 5145 1 1403 . 1 1 127 127 TRP HE1 H 1 10.02 0.02 . 1 . . . . 148 . . . 5145 1 1404 . 1 1 127 127 TRP HZ3 H 1 6.93 0.02 . 1 . . . . 148 . . . 5145 1 1405 . 1 1 127 127 TRP CH2 C 13 124.6 0.1 . 1 . . . . 148 . . . 5145 1 1406 . 1 1 127 127 TRP HZ2 H 1 7.05 0.02 . 1 . . . . 148 . . . 5145 1 1407 . 1 1 127 127 TRP HH2 H 1 6.64 0.02 . 1 . . . . 148 . . . 5145 1 1408 . 1 1 128 128 LEU N N 15 122.5 0.1 . 1 . . . . 149 . . . 5145 1 1409 . 1 1 128 128 LEU H H 1 7.93 0.02 . 1 . . . . 149 . . . 5145 1 1410 . 1 1 128 128 LEU CA C 13 55.1 0.1 . 1 . . . . 149 . . . 5145 1 1411 . 1 1 128 128 LEU HA H 1 4.23 0.02 . 1 . . . . 149 . . . 5145 1 1412 . 1 1 128 128 LEU CB C 13 42.4 0.1 . 1 . . . . 149 . . . 5145 1 1413 . 1 1 128 128 LEU HB2 H 1 1.42 0.02 . 2 . . . . 149 . . . 5145 1 1414 . 1 1 128 128 LEU HB3 H 1 1.49 0.02 . 2 . . . . 149 . . . 5145 1 1415 . 1 1 128 128 LEU CG C 13 24.9 0.1 . 1 . . . . 149 . . . 5145 1 1416 . 1 1 128 128 LEU HG H 1 0.77 0.02 . 1 . . . . 149 . . . 5145 1 1417 . 1 1 128 128 LEU HD11 H 1 0.73 0.02 . 1 . . . . 149 . . . 5145 1 1418 . 1 1 128 128 LEU HD12 H 1 0.73 0.02 . 1 . . . . 149 . . . 5145 1 1419 . 1 1 128 128 LEU HD13 H 1 0.73 0.02 . 1 . . . . 149 . . . 5145 1 1420 . 1 1 128 128 LEU HD21 H 1 0.73 0.02 . 1 . . . . 149 . . . 5145 1 1421 . 1 1 128 128 LEU HD22 H 1 0.73 0.02 . 1 . . . . 149 . . . 5145 1 1422 . 1 1 128 128 LEU HD23 H 1 0.73 0.02 . 1 . . . . 149 . . . 5145 1 1423 . 1 1 128 128 LEU CD1 C 13 23.4 0.1 . 1 . . . . 149 . . . 5145 1 1424 . 1 1 128 128 LEU CD2 C 13 23.4 0.1 . 1 . . . . 149 . . . 5145 1 1425 . 1 1 129 129 GLU N N 15 121.3 0.1 . 1 . . . . 150 . . . 5145 1 1426 . 1 1 129 129 GLU H H 1 8.18 0.02 . 1 . . . . 150 . . . 5145 1 1427 . 1 1 129 129 GLU CA C 13 55.7 0.1 . 1 . . . . 150 . . . 5145 1 1428 . 1 1 129 129 GLU HA H 1 4.15 0.02 . 1 . . . . 150 . . . 5145 1 1429 . 1 1 129 129 GLU CB C 13 29.6 0.1 . 1 . . . . 150 . . . 5145 1 1430 . 1 1 129 129 GLU HB2 H 1 1.84 0.02 . 2 . . . . 150 . . . 5145 1 1431 . 1 1 129 129 GLU HB3 H 1 1.95 0.02 . 2 . . . . 150 . . . 5145 1 1432 . 1 1 129 129 GLU CG C 13 34.8 0.1 . 1 . . . . 150 . . . 5145 1 1433 . 1 1 129 129 GLU HG2 H 1 2.23 0.02 . 1 . . . . 150 . . . 5145 1 1434 . 1 1 129 129 GLU HG3 H 1 2.23 0.02 . 1 . . . . 150 . . . 5145 1 1435 . 1 1 130 130 ARG N N 15 121.9 0.1 . 1 . . . . 151 . . . 5145 1 1436 . 1 1 130 130 ARG H H 1 8.22 0.02 . 1 . . . . 151 . . . 5145 1 1437 . 1 1 130 130 ARG CA C 13 55.9 0.1 . 1 . . . . 151 . . . 5145 1 1438 . 1 1 130 130 ARG HA H 1 4.24 0.02 . 1 . . . . 151 . . . 5145 1 1439 . 1 1 130 130 ARG CB C 13 30.8 0.1 . 1 . . . . 151 . . . 5145 1 1440 . 1 1 130 130 ARG HB2 H 1 1.63 0.02 . 2 . . . . 151 . . . 5145 1 1441 . 1 1 130 130 ARG HB3 H 1 1.75 0.02 . 2 . . . . 151 . . . 5145 1 1442 . 1 1 130 130 ARG CG C 13 27.0 0.1 . 1 . . . . 151 . . . 5145 1 1443 . 1 1 130 130 ARG HG2 H 1 1.49 0.02 . 1 . . . . 151 . . . 5145 1 1444 . 1 1 130 130 ARG HG3 H 1 1.49 0.02 . 1 . . . . 151 . . . 5145 1 1445 . 1 1 130 130 ARG CD C 13 43.3 0.1 . 1 . . . . 151 . . . 5145 1 1446 . 1 1 130 130 ARG HD2 H 1 3.04 0.02 . 1 . . . . 151 . . . 5145 1 1447 . 1 1 130 130 ARG HD3 H 1 3.04 0.02 . 1 . . . . 151 . . . 5145 1 1448 . 1 1 130 130 ARG NE N 15 81.5 0.1 . 1 . . . . 151 . . . 5145 1 1449 . 1 1 130 130 ARG HE H 1 7.08 0.02 . 1 . . . . 151 . . . 5145 1 1450 . 1 1 131 131 GLY N N 15 115.7 0.1 . 1 . . . . 152 . . . 5145 1 1451 . 1 1 131 131 GLY H H 1 7.96 0.02 . 1 . . . . 152 . . . 5145 1 1452 . 1 1 131 131 GLY CA C 13 45.8 0.1 . 1 . . . . 152 . . . 5145 1 1453 . 1 1 131 131 GLY HA2 H 1 3.63 0.02 . 1 . . . . 152 . . . 5145 1 1454 . 1 1 131 131 GLY HA3 H 1 3.63 0.02 . 1 . . . . 152 . . . 5145 1 stop_ save_