data_6177 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6177 _Entry.Title ; N-terminal Domain of the Polypyrimidine Tract Binding Protein Contains a New RRM Variant That Contributes to High-Affinity RNA Binding ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-04-14 _Entry.Accession_date 2004-04-15 _Entry.Last_release_date 2004-11-08 _Entry.Original_release_date 2004-11-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 P. Simpson . J. . 6177 2 T. Monie . P. . 6177 3 A. Szendroi . . . 6177 4 N. Davydova . . . 6177 5 J. Tyzack . K. . 6177 6 M. Conte . R. . 6177 7 C. Read . M. . 6177 8 P. Cary . D. . 6177 9 D. Svergun . V. . 6177 10 P. 'V Konarev' . . . 6177 11 'Petoukhov M.' V. . . . 6177 12 S. Curry . . . 6177 13 S. Matthews . J. . 6177 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6177 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 776 6177 '13C chemical shifts' 489 6177 '15N chemical shifts' 115 6177 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 . . 2004-11-08 2004-04-14 original author . 6177 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6178 'Polypyrimidine tract-binding protein 1 domain 1' 6177 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6177 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15341728 _Citation.Full_citation . _Citation.Title 'Structure and RNA interactions of the N-terminal RRM domains of PTB' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Structure (Camb)' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 9 _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 1631 _Citation.Page_last 1643 _Citation.Year 2004 _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 P. Simpson . J. . 6177 1 2 T. Monie . P. . 6177 1 3 A. Szendroi . . . 6177 1 4 N. Davydova . . . 6177 1 5 J. Tyzack . K. . 6177 1 6 M. Conte . R. . 6177 1 7 C. Read . M. . 6177 1 8 P. Cary . D. . 6177 1 9 D. Svergun . I. . 6177 1 10 P. Konarev . V. . 6177 1 11 S. Curry . . . 6177 1 12 S. Matthews . J. . 6177 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'extended BABBAB motif' 6177 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_PTB1-2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_PTB1-2 _Assembly.Entry_ID 6177 _Assembly.ID 1 _Assembly.Name 'Polypyrimidine tract-binding protein 1 domain 2' _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 'all free' _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 6177 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 'PTB1-2 monomer' 1 $PTB1-2 . . . native . . . . . 6177 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1SJR . . . . . . 6177 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Polypyrimidine tract-binding protein 1 domain 2' system 6177 1 PTB1-2 abbreviation 6177 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'RNA binding protein' 6177 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PTB1-2 _Entity.Sf_category entity _Entity.Sf_framecode PTB1-2 _Entity.Entry_ID 6177 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'polypyrimidine tract binding protein 1 domain 2' _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 ; MHHHHHHGSAQAALQAVNSV QSGNLALAASAAAVDAGMAM AGQSPVLRIIVENLFYPVTL DVLHQIFSKFGTVLKIITFT KNNQFQALLQYADPVSAQHA KLSLDGQNIYNACCTLRIDF SKLTSLNVKYNNDKSRDYTR PDLPSGDSQPSLDQTMAAAF GLSV ; _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 164 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 BMRB 5409 . PTB1-12 . . . . . 94.51 263 100.00 100.00 1.04e-105 . . . . 6177 1 2 no PDB 1SJR . "Nmr Structure Of Rrm2 From Human Polypyrimidine Tract Binding Protein Isoform 1 (Ptb1)" . . . . . 100.00 164 100.00 100.00 2.31e-115 . . . . 6177 1 3 no PDB 3ZZY . "Crystal Structure Of A Raver1 Pri3 Peptide In Complex With Polypyrimidine Tract Binding Protein Rrm2" . . . . . 79.27 130 100.00 100.00 6.81e-89 . . . . 6177 1 4 no PDB 3ZZZ . "Crystal Structure Of A Raver1 Pri4 Peptide In Complex With Polypyrimidine Tract Binding Protein Rrm2" . . . . . 79.27 130 100.00 100.00 6.81e-89 . . . . 6177 1 5 no DBJ BAB86943 . "polypirimidine tract binding protein [Mus musculus]" . . . . . 94.51 528 99.35 100.00 2.63e-102 . . . . 6177 1 6 no DBJ BAC28230 . "unnamed protein product [Mus musculus]" . . . . . 92.68 555 100.00 100.00 3.09e-100 . . . . 6177 1 7 no DBJ BAC29560 . "unnamed protein product [Mus musculus]" . . . . . 94.51 489 100.00 100.00 6.77e-103 . . . . 6177 1 8 no DBJ BAC30837 . "unnamed protein product [Mus musculus]" . . . . . 92.68 555 100.00 100.00 3.09e-100 . . . . 6177 1 9 no DBJ BAC31665 . "unnamed protein product [Mus musculus]" . . . . . 92.68 555 100.00 100.00 3.09e-100 . . . . 6177 1 10 no EMBL CAA36321 . "25kDa nuclear protein [Mus musculus]" . . . . . 94.51 527 100.00 100.00 1.10e-102 . . . . 6177 1 11 no EMBL CAA43056 . "polypyrimidine tract-binding protein (pPTB) [Homo sapiens]" . . . . . 94.51 531 100.00 100.00 2.98e-102 . . . . 6177 1 12 no EMBL CAA43202 . "pyrimidine binding protein 1 [Rattus norvegicus]" . . . . . 94.51 530 100.00 100.00 1.52e-102 . . . . 6177 1 13 no EMBL CAA43203 . "pyrimidine binding protein 2 [Rattus norvegicus]" . . . . . 66.46 367 100.00 100.00 1.48e-71 . . . . 6177 1 14 no EMBL CAA43973 . "polypirimidine tract binding protein [Homo sapiens]" . . . . . 94.51 531 100.00 100.00 2.98e-102 . . . . 6177 1 15 no GB AAC99798 . "PTB_HUMAN [Homo sapiens]" . . . . . 94.51 531 100.00 100.00 2.98e-102 . . . . 6177 1 16 no GB AAH02397 . "Polypyrimidine tract binding protein 1 [Homo sapiens]" . . . . . 92.68 557 100.00 100.00 5.52e-100 . . . . 6177 1 17 no GB AAH04383 . "Polypyrimidine tract binding protein 1 [Homo sapiens]" . . . . . 94.51 531 100.00 100.00 2.98e-102 . . . . 6177 1 18 no GB AAH07472 . "Polypyrimidine tract binding protein 1 [Mus musculus]" . . . . . 92.68 555 100.00 100.00 3.09e-100 . . . . 6177 1 19 no GB AAH13694 . "Polypyrimidine tract binding protein 1 [Homo sapiens]" . . . . . 92.68 557 100.00 100.00 5.52e-100 . . . . 6177 1 20 no REF NP_001070831 . "polypyrimidine tract-binding protein 1 isoform 1 [Mus musculus]" . . . . . 92.68 555 100.00 100.00 3.09e-100 . . . . 6177 1 21 no REF NP_001257986 . "polypyrimidine tract-binding protein 1 isoform a [Rattus norvegicus]" . . . . . 92.68 556 100.00 100.00 3.08e-100 . . . . 6177 1 22 no REF NP_001269942 . "polypyrimidine tract-binding protein 1 isoform 3 [Mus musculus]" . . . . . 94.51 489 100.00 100.00 6.77e-103 . . . . 6177 1 23 no REF NP_001289713 . "polypyrimidine tract-binding protein 1 isoform 1 [Bos taurus]" . . . . . 92.68 557 100.00 100.00 5.65e-100 . . . . 6177 1 24 no REF NP_002810 . "polypyrimidine tract-binding protein 1 isoform a [Homo sapiens]" . . . . . 92.68 557 100.00 100.00 5.52e-100 . . . . 6177 1 25 no SP P17225 . "RecName: Full=Polypyrimidine tract-binding protein 1; Short=PTB; AltName: Full=Heterogeneous nuclear ribonucleoprotein I; Short" . . . . . 94.51 527 100.00 100.00 1.10e-102 . . . . 6177 1 26 no SP P26599 . "RecName: Full=Polypyrimidine tract-binding protein 1; Short=PTB; AltName: Full=57 kDa RNA-binding protein PPTB-1; AltName: Full" . . . . . 94.51 531 100.00 100.00 2.98e-102 . . . . 6177 1 27 no SP Q00438 . "RecName: Full=Polypyrimidine tract-binding protein 1; Short=PTB; AltName: Full=Heterogeneous nuclear ribonucleoprotein I; Short" . . . . . 92.68 555 100.00 100.00 2.60e-100 . . . . 6177 1 28 no SP Q29099 . "RecName: Full=Polypyrimidine tract-binding protein 1; Short=PTB; AltName: Full=Heterogeneous nuclear ribonucleoprotein I; Short" . . . . . 92.68 557 99.34 100.00 1.49e-99 . . . . 6177 1 29 no SP Q8WN55 . "RecName: Full=Polypyrimidine tract-binding protein 1; Short=PTB [Bos taurus]" . . . . . 94.51 531 100.00 100.00 3.32e-102 . . . . 6177 1 30 no TPG DAA27468 . "TPA: polypyrimidine tract-binding protein 1 [Bos taurus]" . . . . . 94.51 531 100.00 100.00 3.32e-102 . . . . 6177 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'polypyrimidine tract binding protein 1 domain 2' common 6177 1 'PTB1 RRM2' abbreviation 6177 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 -35 MET . 6177 1 2 -34 HIS . 6177 1 3 -33 HIS . 6177 1 4 -32 HIS . 6177 1 5 -31 HIS . 6177 1 6 -30 HIS . 6177 1 7 -29 HIS . 6177 1 8 -28 GLY . 6177 1 9 -27 SER . 6177 1 10 -26 ALA . 6177 1 11 -25 GLN . 6177 1 12 -24 ALA . 6177 1 13 -23 ALA . 6177 1 14 -22 LEU . 6177 1 15 -21 GLN . 6177 1 16 -20 ALA . 6177 1 17 -19 VAL . 6177 1 18 -18 ASN . 6177 1 19 -17 SER . 6177 1 20 -16 VAL . 6177 1 21 -15 GLN . 6177 1 22 -14 SER . 6177 1 23 -13 GLY . 6177 1 24 -12 ASN . 6177 1 25 -11 LEU . 6177 1 26 -10 ALA . 6177 1 27 -9 LEU . 6177 1 28 -8 ALA . 6177 1 29 -7 ALA . 6177 1 30 -6 SER . 6177 1 31 -5 ALA . 6177 1 32 -4 ALA . 6177 1 33 -3 ALA . 6177 1 34 -2 VAL . 6177 1 35 -1 ASP . 6177 1 36 1 ALA . 6177 1 37 2 GLY . 6177 1 38 3 MET . 6177 1 39 4 ALA . 6177 1 40 5 MET . 6177 1 41 6 ALA . 6177 1 42 7 GLY . 6177 1 43 8 GLN . 6177 1 44 9 SER . 6177 1 45 10 PRO . 6177 1 46 11 VAL . 6177 1 47 12 LEU . 6177 1 48 13 ARG . 6177 1 49 14 ILE . 6177 1 50 15 ILE . 6177 1 51 16 VAL . 6177 1 52 17 GLU . 6177 1 53 18 ASN . 6177 1 54 19 LEU . 6177 1 55 20 PHE . 6177 1 56 21 TYR . 6177 1 57 22 PRO . 6177 1 58 23 VAL . 6177 1 59 24 THR . 6177 1 60 25 LEU . 6177 1 61 26 ASP . 6177 1 62 27 VAL . 6177 1 63 28 LEU . 6177 1 64 29 HIS . 6177 1 65 30 GLN . 6177 1 66 31 ILE . 6177 1 67 32 PHE . 6177 1 68 33 SER . 6177 1 69 34 LYS . 6177 1 70 35 PHE . 6177 1 71 36 GLY . 6177 1 72 37 THR . 6177 1 73 38 VAL . 6177 1 74 39 LEU . 6177 1 75 40 LYS . 6177 1 76 41 ILE . 6177 1 77 42 ILE . 6177 1 78 43 THR . 6177 1 79 44 PHE . 6177 1 80 45 THR . 6177 1 81 46 LYS . 6177 1 82 47 ASN . 6177 1 83 48 ASN . 6177 1 84 49 GLN . 6177 1 85 50 PHE . 6177 1 86 51 GLN . 6177 1 87 52 ALA . 6177 1 88 53 LEU . 6177 1 89 54 LEU . 6177 1 90 55 GLN . 6177 1 91 56 TYR . 6177 1 92 57 ALA . 6177 1 93 58 ASP . 6177 1 94 59 PRO . 6177 1 95 60 VAL . 6177 1 96 61 SER . 6177 1 97 62 ALA . 6177 1 98 63 GLN . 6177 1 99 64 HIS . 6177 1 100 65 ALA . 6177 1 101 66 LYS . 6177 1 102 67 LEU . 6177 1 103 68 SER . 6177 1 104 69 LEU . 6177 1 105 70 ASP . 6177 1 106 71 GLY . 6177 1 107 72 GLN . 6177 1 108 73 ASN . 6177 1 109 74 ILE . 6177 1 110 75 TYR . 6177 1 111 76 ASN . 6177 1 112 77 ALA . 6177 1 113 78 CYS . 6177 1 114 79 CYS . 6177 1 115 80 THR . 6177 1 116 81 LEU . 6177 1 117 82 ARG . 6177 1 118 83 ILE . 6177 1 119 84 ASP . 6177 1 120 85 PHE . 6177 1 121 86 SER . 6177 1 122 87 LYS . 6177 1 123 88 LEU . 6177 1 124 89 THR . 6177 1 125 90 SER . 6177 1 126 91 LEU . 6177 1 127 92 ASN . 6177 1 128 93 VAL . 6177 1 129 94 LYS . 6177 1 130 95 TYR . 6177 1 131 96 ASN . 6177 1 132 97 ASN . 6177 1 133 98 ASP . 6177 1 134 99 LYS . 6177 1 135 100 SER . 6177 1 136 101 ARG . 6177 1 137 102 ASP . 6177 1 138 103 TYR . 6177 1 139 104 THR . 6177 1 140 105 ARG . 6177 1 141 106 PRO . 6177 1 142 107 ASP . 6177 1 143 108 LEU . 6177 1 144 109 PRO . 6177 1 145 110 SER . 6177 1 146 111 GLY . 6177 1 147 112 ASP . 6177 1 148 113 SER . 6177 1 149 114 GLN . 6177 1 150 115 PRO . 6177 1 151 116 SER . 6177 1 152 117 LEU . 6177 1 153 118 ASP . 6177 1 154 119 GLN . 6177 1 155 120 THR . 6177 1 156 121 MET . 6177 1 157 122 ALA . 6177 1 158 123 ALA . 6177 1 159 124 ALA . 6177 1 160 125 PHE . 6177 1 161 126 GLY . 6177 1 162 127 LEU . 6177 1 163 128 SER . 6177 1 164 129 VAL . 6177 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6177 1 . HIS 2 2 6177 1 . HIS 3 3 6177 1 . HIS 4 4 6177 1 . HIS 5 5 6177 1 . HIS 6 6 6177 1 . HIS 7 7 6177 1 . GLY 8 8 6177 1 . SER 9 9 6177 1 . ALA 10 10 6177 1 . GLN 11 11 6177 1 . ALA 12 12 6177 1 . ALA 13 13 6177 1 . LEU 14 14 6177 1 . GLN 15 15 6177 1 . ALA 16 16 6177 1 . VAL 17 17 6177 1 . ASN 18 18 6177 1 . SER 19 19 6177 1 . VAL 20 20 6177 1 . GLN 21 21 6177 1 . SER 22 22 6177 1 . GLY 23 23 6177 1 . ASN 24 24 6177 1 . LEU 25 25 6177 1 . ALA 26 26 6177 1 . LEU 27 27 6177 1 . ALA 28 28 6177 1 . ALA 29 29 6177 1 . SER 30 30 6177 1 . ALA 31 31 6177 1 . ALA 32 32 6177 1 . ALA 33 33 6177 1 . VAL 34 34 6177 1 . ASP 35 35 6177 1 . ALA 36 36 6177 1 . GLY 37 37 6177 1 . MET 38 38 6177 1 . ALA 39 39 6177 1 . MET 40 40 6177 1 . ALA 41 41 6177 1 . GLY 42 42 6177 1 . GLN 43 43 6177 1 . SER 44 44 6177 1 . PRO 45 45 6177 1 . VAL 46 46 6177 1 . LEU 47 47 6177 1 . ARG 48 48 6177 1 . ILE 49 49 6177 1 . ILE 50 50 6177 1 . VAL 51 51 6177 1 . GLU 52 52 6177 1 . ASN 53 53 6177 1 . LEU 54 54 6177 1 . PHE 55 55 6177 1 . TYR 56 56 6177 1 . PRO 57 57 6177 1 . VAL 58 58 6177 1 . THR 59 59 6177 1 . LEU 60 60 6177 1 . ASP 61 61 6177 1 . VAL 62 62 6177 1 . LEU 63 63 6177 1 . HIS 64 64 6177 1 . GLN 65 65 6177 1 . ILE 66 66 6177 1 . PHE 67 67 6177 1 . SER 68 68 6177 1 . LYS 69 69 6177 1 . PHE 70 70 6177 1 . GLY 71 71 6177 1 . THR 72 72 6177 1 . VAL 73 73 6177 1 . LEU 74 74 6177 1 . LYS 75 75 6177 1 . ILE 76 76 6177 1 . ILE 77 77 6177 1 . THR 78 78 6177 1 . PHE 79 79 6177 1 . THR 80 80 6177 1 . LYS 81 81 6177 1 . ASN 82 82 6177 1 . ASN 83 83 6177 1 . GLN 84 84 6177 1 . PHE 85 85 6177 1 . GLN 86 86 6177 1 . ALA 87 87 6177 1 . LEU 88 88 6177 1 . LEU 89 89 6177 1 . GLN 90 90 6177 1 . TYR 91 91 6177 1 . ALA 92 92 6177 1 . ASP 93 93 6177 1 . PRO 94 94 6177 1 . VAL 95 95 6177 1 . SER 96 96 6177 1 . ALA 97 97 6177 1 . GLN 98 98 6177 1 . HIS 99 99 6177 1 . ALA 100 100 6177 1 . LYS 101 101 6177 1 . LEU 102 102 6177 1 . SER 103 103 6177 1 . LEU 104 104 6177 1 . ASP 105 105 6177 1 . GLY 106 106 6177 1 . GLN 107 107 6177 1 . ASN 108 108 6177 1 . ILE 109 109 6177 1 . TYR 110 110 6177 1 . ASN 111 111 6177 1 . ALA 112 112 6177 1 . CYS 113 113 6177 1 . CYS 114 114 6177 1 . THR 115 115 6177 1 . LEU 116 116 6177 1 . ARG 117 117 6177 1 . ILE 118 118 6177 1 . ASP 119 119 6177 1 . PHE 120 120 6177 1 . SER 121 121 6177 1 . LYS 122 122 6177 1 . LEU 123 123 6177 1 . THR 124 124 6177 1 . SER 125 125 6177 1 . LEU 126 126 6177 1 . ASN 127 127 6177 1 . VAL 128 128 6177 1 . LYS 129 129 6177 1 . TYR 130 130 6177 1 . ASN 131 131 6177 1 . ASN 132 132 6177 1 . ASP 133 133 6177 1 . LYS 134 134 6177 1 . SER 135 135 6177 1 . ARG 136 136 6177 1 . ASP 137 137 6177 1 . TYR 138 138 6177 1 . THR 139 139 6177 1 . ARG 140 140 6177 1 . PRO 141 141 6177 1 . ASP 142 142 6177 1 . LEU 143 143 6177 1 . PRO 144 144 6177 1 . SER 145 145 6177 1 . GLY 146 146 6177 1 . ASP 147 147 6177 1 . SER 148 148 6177 1 . GLN 149 149 6177 1 . PRO 150 150 6177 1 . SER 151 151 6177 1 . LEU 152 152 6177 1 . ASP 153 153 6177 1 . GLN 154 154 6177 1 . THR 155 155 6177 1 . MET 156 156 6177 1 . ALA 157 157 6177 1 . ALA 158 158 6177 1 . ALA 159 159 6177 1 . PHE 160 160 6177 1 . GLY 161 161 6177 1 . LEU 162 162 6177 1 . SER 163 163 6177 1 . VAL 164 164 6177 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 6177 _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 $PTB1-2 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6177 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 6177 _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 $PTB1-2 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 6177 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6177 _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 'polypyrimidine tract binding protein 1 domain 2' '[U-13C; U-15N]' . . 1 $PTB1-2 . . 0.25 . . mM . . . . 6177 1 2 'Na phosphate' . . . . . . . 50 . . mM . . . . 6177 1 3 NaCl . . . . . . . 100 . . mM . . . . 6177 1 4 DTT . . . . . . . 10 . . mM . . . . 6177 1 5 'sodium azide' . . . . . . . 2 . . mM . . . . 6177 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6177 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.2 n/a 6177 1 temperature 310 2 K 6177 1 'ionic strength' 0.3 0.02 M 6177 1 pressure 1 . atm 6177 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6177 _Software.ID 1 _Software.Name XWINNMR _Software.Version 3.1 _Software.Details 'Data acquisition' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6177 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6177 _Software.ID 2 _Software.Name NMRPipe _Software.Version 1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6177 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 6177 _Software.ID 3 _Software.Name NMRView _Software.Version 4.1.3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6177 3 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 6177 _Software.ID 4 _Software.Name X-PLOR _Software.Version 3.851 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6177 4 refinement 6177 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6177 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6177 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'DRX500 had cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6177 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian INOVA . 800 . . . 6177 1 2 NMR_spectrometer_2 Bruker DRX . 500 'DRX500 had cryoprobe' . . 6177 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 6177 _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 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6177 1 2 HN(CA)CO . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6177 1 3 HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6177 1 4 CBCA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6177 1 5 HBHA . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6177 1 6 H(C)CH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6177 1 7 (H)CCH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6177 1 8 (HB)CB(CGCD)HD . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6177 1 9 '15N-separated NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6177 1 10 '13C-separated NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6177 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 6177 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCO _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 6177 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HN(CA)CO _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 6177 _NMR_spec_expt.ID 3 _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6177 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCA(CO)NH _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 6177 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HBHA _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 6177 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name H(C)CH-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 6177 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name (H)CCH-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_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6177 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name (HB)CB(CGCD)HD _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 6177 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '15N-separated 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 6177 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '13C-separated 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 6177 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 TSP 'methyl protons' . . . . ppm 0.00 internal direct 1.0 internal cylindrical parallel 1 $entry_citation . . 1 $entry_citation 6177 1 N 15 TSP 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 internal cylindrical parallel 1 $entry_citation . . 1 $entry_citation 6177 1 C 13 TSP 'methyl protons' . . . . ppm 0.00 internal indirect 0.251449530 internal cylindrical parallel 1 $entry_citation . . 1 $entry_citation 6177 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6177 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_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 . 6177 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 36 36 ALA CA C 13 53.500 0.75 . 1 . . . . 1 . . . 6177 1 2 . 1 1 36 36 ALA CB C 13 20.200 0.75 . 1 . . . . 1 . . . 6177 1 3 . 1 1 36 36 ALA C C 13 178.400 0.75 . 1 . . . . 1 . . . 6177 1 4 . 1 1 37 37 GLY N N 15 107.420 0.5 . 1 . . . . 2 . . . 6177 1 5 . 1 1 37 37 GLY H H 1 8.460 0.03 . 1 . . . . 2 . . . 6177 1 6 . 1 1 37 37 GLY CA C 13 46.150 0.75 . 1 . . . . 2 . . . 6177 1 7 . 1 1 37 37 GLY C C 13 174.500 0.75 . 1 . . . . 2 . . . 6177 1 8 . 1 1 41 41 ALA CA C 13 52.970 0.75 . 1 . . . . 6 . . . 6177 1 9 . 1 1 41 41 ALA HA H 1 4.080 0.03 . 1 . . . . 6 . . . 6177 1 10 . 1 1 41 41 ALA CB C 13 19.216 0.75 . 1 . . . . 6 . . . 6177 1 11 . 1 1 41 41 ALA HB1 H 1 1.350 0.03 . 1 . . . . 6 . . . 6177 1 12 . 1 1 41 41 ALA HB2 H 1 1.350 0.03 . 1 . . . . 6 . . . 6177 1 13 . 1 1 41 41 ALA HB3 H 1 1.350 0.03 . 1 . . . . 6 . . . 6177 1 14 . 1 1 41 41 ALA C C 13 178.080 0.75 . 1 . . . . 6 . . . 6177 1 15 . 1 1 42 42 GLY N N 15 108.401 0.5 . 1 . . . . 7 . . . 6177 1 16 . 1 1 42 42 GLY H H 1 8.174 0.03 . 1 . . . . 7 . . . 6177 1 17 . 1 1 42 42 GLY CA C 13 45.680 0.75 . 1 . . . . 7 . . . 6177 1 18 . 1 1 42 42 GLY HA3 H 1 3.760 0.03 . 1 . . . . 7 . . . 6177 1 19 . 1 1 42 42 GLY HA2 H 1 3.760 0.03 . 1 . . . . 7 . . . 6177 1 20 . 1 1 42 42 GLY C C 13 173.620 0.75 . 1 . . . . 7 . . . 6177 1 21 . 1 1 43 43 GLN N N 15 118.313 0.5 . 1 . . . . 8 . . . 6177 1 22 . 1 1 43 43 GLN H H 1 7.634 0.03 . 1 . . . . 8 . . . 6177 1 23 . 1 1 43 43 GLN CA C 13 55.780 0.75 . 1 . . . . 8 . . . 6177 1 24 . 1 1 43 43 GLN HA H 1 3.740 0.03 . 1 . . . . 8 . . . 6177 1 25 . 1 1 43 43 GLN CB C 13 30.040 0.75 . 1 . . . . 8 . . . 6177 1 26 . 1 1 43 43 GLN HB3 H 1 1.820 0.03 . 2 . . . . 8 . . . 6177 1 27 . 1 1 43 43 GLN HB2 H 1 1.740 0.03 . 2 . . . . 8 . . . 6177 1 28 . 1 1 43 43 GLN CG C 13 34.404 0.75 . 1 . . . . 8 . . . 6177 1 29 . 1 1 43 43 GLN HG3 H 1 2.040 0.03 . 1 . . . . 8 . . . 6177 1 30 . 1 1 43 43 GLN HG2 H 1 2.040 0.03 . 1 . . . . 8 . . . 6177 1 31 . 1 1 43 43 GLN NE2 N 15 111.540 0.5 . 1 . . . . 8 . . . 6177 1 32 . 1 1 43 43 GLN HE21 H 1 6.580 0.03 . 2 . . . . 8 . . . 6177 1 33 . 1 1 43 43 GLN HE22 H 1 7.280 0.03 . 2 . . . . 8 . . . 6177 1 34 . 1 1 43 43 GLN C C 13 174.920 0.75 . 1 . . . . 8 . . . 6177 1 35 . 1 1 44 44 SER N N 15 116.128 0.5 . 1 . . . . 9 . . . 6177 1 36 . 1 1 44 44 SER H H 1 7.581 0.03 . 1 . . . . 9 . . . 6177 1 37 . 1 1 44 44 SER CA C 13 54.800 0.75 . 1 . . . . 9 . . . 6177 1 38 . 1 1 44 44 SER HA H 1 4.900 0.03 . 1 . . . . 9 . . . 6177 1 39 . 1 1 44 44 SER CB C 13 66.200 0.75 . 1 . . . . 9 . . . 6177 1 40 . 1 1 44 44 SER HB3 H 1 4.070 0.03 . 2 . . . . 9 . . . 6177 1 41 . 1 1 44 44 SER HB2 H 1 4.020 0.03 . 2 . . . . 9 . . . 6177 1 42 . 1 1 44 44 SER C C 13 173.540 0.75 . 1 . . . . 9 . . . 6177 1 43 . 1 1 45 45 PRO CA C 13 64.030 0.75 . 1 . . . . 10 . . . 6177 1 44 . 1 1 45 45 PRO HA H 1 4.730 0.03 . 1 . . . . 10 . . . 6177 1 45 . 1 1 45 45 PRO CB C 13 32.000 0.75 . 1 . . . . 10 . . . 6177 1 46 . 1 1 45 45 PRO HB3 H 1 2.660 0.03 . 2 . . . . 10 . . . 6177 1 47 . 1 1 45 45 PRO HB2 H 1 1.640 0.03 . 2 . . . . 10 . . . 6177 1 48 . 1 1 45 45 PRO CG C 13 27.304 0.75 . 1 . . . . 10 . . . 6177 1 49 . 1 1 45 45 PRO HG3 H 1 2.290 0.03 . 2 . . . . 10 . . . 6177 1 50 . 1 1 45 45 PRO HG2 H 1 2.010 0.03 . 2 . . . . 10 . . . 6177 1 51 . 1 1 45 45 PRO CD C 13 50.200 0.75 . 1 . . . . 10 . . . 6177 1 52 . 1 1 45 45 PRO HD3 H 1 4.080 0.03 . 2 . . . . 10 . . . 6177 1 53 . 1 1 45 45 PRO HD2 H 1 3.890 0.03 . 2 . . . . 10 . . . 6177 1 54 . 1 1 45 45 PRO C C 13 174.150 0.75 . 1 . . . . 10 . . . 6177 1 55 . 1 1 46 46 VAL N N 15 120.940 0.5 . 1 . . . . 11 . . . 6177 1 56 . 1 1 46 46 VAL H H 1 8.442 0.03 . 1 . . . . 11 . . . 6177 1 57 . 1 1 46 46 VAL CA C 13 60.470 0.75 . 1 . . . . 11 . . . 6177 1 58 . 1 1 46 46 VAL HA H 1 5.110 0.03 . 1 . . . . 11 . . . 6177 1 59 . 1 1 46 46 VAL CB C 13 32.440 0.75 . 1 . . . . 11 . . . 6177 1 60 . 1 1 46 46 VAL HB H 1 2.140 0.03 . 1 . . . . 11 . . . 6177 1 61 . 1 1 46 46 VAL CG2 C 13 23.984 0.75 . 1 . . . . 11 . . . 6177 1 62 . 1 1 46 46 VAL HG21 H 1 0.760 0.03 . 2 . . . . 11 . . . 6177 1 63 . 1 1 46 46 VAL HG22 H 1 0.760 0.03 . 2 . . . . 11 . . . 6177 1 64 . 1 1 46 46 VAL HG23 H 1 0.760 0.03 . 2 . . . . 11 . . . 6177 1 65 . 1 1 46 46 VAL CG1 C 13 22.060 0.75 . 1 . . . . 11 . . . 6177 1 66 . 1 1 46 46 VAL HG11 H 1 0.500 0.03 . 2 . . . . 11 . . . 6177 1 67 . 1 1 46 46 VAL HG12 H 1 0.500 0.03 . 2 . . . . 11 . . . 6177 1 68 . 1 1 46 46 VAL HG13 H 1 0.500 0.03 . 2 . . . . 11 . . . 6177 1 69 . 1 1 46 46 VAL C C 13 175.290 0.75 . 1 . . . . 11 . . . 6177 1 70 . 1 1 47 47 LEU N N 15 125.077 0.5 . 1 . . . . 12 . . . 6177 1 71 . 1 1 47 47 LEU H H 1 9.151 0.03 . 1 . . . . 12 . . . 6177 1 72 . 1 1 47 47 LEU CA C 13 53.180 0.75 . 1 . . . . 12 . . . 6177 1 73 . 1 1 47 47 LEU HA H 1 4.920 0.03 . 1 . . . . 12 . . . 6177 1 74 . 1 1 47 47 LEU CB C 13 45.840 0.75 . 1 . . . . 12 . . . 6177 1 75 . 1 1 47 47 LEU HB3 H 1 1.600 0.03 . 2 . . . . 12 . . . 6177 1 76 . 1 1 47 47 LEU HB2 H 1 1.150 0.03 . 2 . . . . 12 . . . 6177 1 77 . 1 1 47 47 LEU CG C 13 27.704 0.75 . 1 . . . . 12 . . . 6177 1 78 . 1 1 47 47 LEU HG H 1 1.820 0.03 . 1 . . . . 12 . . . 6177 1 79 . 1 1 47 47 LEU CD1 C 13 23.470 0.75 . 1 . . . . 12 . . . 6177 1 80 . 1 1 47 47 LEU HD11 H 1 0.670 0.03 . 2 . . . . 12 . . . 6177 1 81 . 1 1 47 47 LEU HD12 H 1 0.670 0.03 . 2 . . . . 12 . . . 6177 1 82 . 1 1 47 47 LEU HD13 H 1 0.670 0.03 . 2 . . . . 12 . . . 6177 1 83 . 1 1 47 47 LEU CD2 C 13 27.700 0.75 . 1 . . . . 12 . . . 6177 1 84 . 1 1 47 47 LEU HD21 H 1 1.130 0.03 . 2 . . . . 12 . . . 6177 1 85 . 1 1 47 47 LEU HD22 H 1 1.130 0.03 . 2 . . . . 12 . . . 6177 1 86 . 1 1 47 47 LEU HD23 H 1 1.130 0.03 . 2 . . . . 12 . . . 6177 1 87 . 1 1 47 47 LEU C C 13 175.310 0.75 . 1 . . . . 12 . . . 6177 1 88 . 1 1 48 48 ARG N N 15 121.761 0.5 . 1 . . . . 13 . . . 6177 1 89 . 1 1 48 48 ARG H H 1 9.028 0.03 . 1 . . . . 13 . . . 6177 1 90 . 1 1 48 48 ARG CA C 13 55.970 0.75 . 1 . . . . 13 . . . 6177 1 91 . 1 1 48 48 ARG HA H 1 5.020 0.03 . 1 . . . . 13 . . . 6177 1 92 . 1 1 48 48 ARG CB C 13 32.190 0.75 . 1 . . . . 13 . . . 6177 1 93 . 1 1 48 48 ARG HB3 H 1 1.820 0.03 . 2 . . . . 13 . . . 6177 1 94 . 1 1 48 48 ARG HB2 H 1 1.490 0.03 . 2 . . . . 13 . . . 6177 1 95 . 1 1 48 48 ARG CG C 13 28.004 0.75 . 1 . . . . 13 . . . 6177 1 96 . 1 1 48 48 ARG HG3 H 1 1.690 0.03 . 2 . . . . 13 . . . 6177 1 97 . 1 1 48 48 ARG HG2 H 1 1.410 0.03 . 2 . . . . 13 . . . 6177 1 98 . 1 1 48 48 ARG CD C 13 44.624 0.75 . 1 . . . . 13 . . . 6177 1 99 . 1 1 48 48 ARG HD3 H 1 3.190 0.03 . 2 . . . . 13 . . . 6177 1 100 . 1 1 48 48 ARG HD2 H 1 3.150 0.03 . 2 . . . . 13 . . . 6177 1 101 . 1 1 48 48 ARG C C 13 174.780 0.75 . 1 . . . . 13 . . . 6177 1 102 . 1 1 49 49 ILE N N 15 128.906 0.5 . 1 . . . . 14 . . . 6177 1 103 . 1 1 49 49 ILE H H 1 9.458 0.03 . 1 . . . . 14 . . . 6177 1 104 . 1 1 49 49 ILE CA C 13 60.520 0.75 . 1 . . . . 14 . . . 6177 1 105 . 1 1 49 49 ILE HA H 1 4.780 0.03 . 1 . . . . 14 . . . 6177 1 106 . 1 1 49 49 ILE CB C 13 42.250 0.75 . 1 . . . . 14 . . . 6177 1 107 . 1 1 49 49 ILE HB H 1 1.580 0.03 . 1 . . . . 14 . . . 6177 1 108 . 1 1 49 49 ILE CG1 C 13 29.014 0.75 . 2 . . . . 14 . . . 6177 1 109 . 1 1 49 49 ILE HG13 H 1 1.290 0.03 . 1 . . . . 14 . . . 6177 1 110 . 1 1 49 49 ILE HG12 H 1 0.820 0.03 . 1 . . . . 14 . . . 6177 1 111 . 1 1 49 49 ILE CD1 C 13 17.000 0.75 . 1 . . . . 14 . . . 6177 1 112 . 1 1 49 49 ILE HD11 H 1 0.210 0.03 . 1 . . . . 14 . . . 6177 1 113 . 1 1 49 49 ILE HD12 H 1 0.210 0.03 . 1 . . . . 14 . . . 6177 1 114 . 1 1 49 49 ILE HD13 H 1 0.210 0.03 . 1 . . . . 14 . . . 6177 1 115 . 1 1 49 49 ILE CG2 C 13 19.800 0.75 . 1 . . . . 14 . . . 6177 1 116 . 1 1 49 49 ILE HG21 H 1 0.780 0.03 . 1 . . . . 14 . . . 6177 1 117 . 1 1 49 49 ILE HG22 H 1 0.780 0.03 . 1 . . . . 14 . . . 6177 1 118 . 1 1 49 49 ILE HG23 H 1 0.780 0.03 . 1 . . . . 14 . . . 6177 1 119 . 1 1 49 49 ILE C C 13 174.380 0.75 . 1 . . . . 14 . . . 6177 1 120 . 1 1 50 50 ILE N N 15 127.851 0.5 . 1 . . . . 15 . . . 6177 1 121 . 1 1 50 50 ILE H H 1 9.220 0.03 . 1 . . . . 15 . . . 6177 1 122 . 1 1 50 50 ILE CA C 13 60.840 0.75 . 1 . . . . 15 . . . 6177 1 123 . 1 1 50 50 ILE HA H 1 4.730 0.03 . 1 . . . . 15 . . . 6177 1 124 . 1 1 50 50 ILE CB C 13 41.770 0.75 . 1 . . . . 15 . . . 6177 1 125 . 1 1 50 50 ILE HB H 1 1.760 0.03 . 1 . . . . 15 . . . 6177 1 126 . 1 1 50 50 ILE CG1 C 13 29.400 0.75 . 2 . . . . 15 . . . 6177 1 127 . 1 1 50 50 ILE HG13 H 1 0.990 0.03 . 1 . . . . 15 . . . 6177 1 128 . 1 1 50 50 ILE HG12 H 1 1.530 0.03 . 1 . . . . 15 . . . 6177 1 129 . 1 1 50 50 ILE CD1 C 13 14.300 0.75 . 1 . . . . 15 . . . 6177 1 130 . 1 1 50 50 ILE HD11 H 1 0.790 0.03 . 1 . . . . 15 . . . 6177 1 131 . 1 1 50 50 ILE HD12 H 1 0.790 0.03 . 1 . . . . 15 . . . 6177 1 132 . 1 1 50 50 ILE HD13 H 1 0.790 0.03 . 1 . . . . 15 . . . 6177 1 133 . 1 1 50 50 ILE CG2 C 13 18.304 0.75 . 1 . . . . 15 . . . 6177 1 134 . 1 1 50 50 ILE HG21 H 1 0.930 0.03 . 1 . . . . 15 . . . 6177 1 135 . 1 1 50 50 ILE HG22 H 1 0.930 0.03 . 1 . . . . 15 . . . 6177 1 136 . 1 1 50 50 ILE HG23 H 1 0.930 0.03 . 1 . . . . 15 . . . 6177 1 137 . 1 1 50 50 ILE C C 13 175.400 0.75 . 1 . . . . 15 . . . 6177 1 138 . 1 1 51 51 VAL N N 15 124.674 0.5 . 1 . . . . 16 . . . 6177 1 139 . 1 1 51 51 VAL H H 1 8.026 0.03 . 1 . . . . 16 . . . 6177 1 140 . 1 1 51 51 VAL CA C 13 61.100 0.75 . 1 . . . . 16 . . . 6177 1 141 . 1 1 51 51 VAL HA H 1 4.920 0.03 . 1 . . . . 16 . . . 6177 1 142 . 1 1 51 51 VAL CB C 13 32.570 0.75 . 1 . . . . 16 . . . 6177 1 143 . 1 1 51 51 VAL HB H 1 2.110 0.03 . 1 . . . . 16 . . . 6177 1 144 . 1 1 51 51 VAL CG2 C 13 21.590 0.75 . 1 . . . . 16 . . . 6177 1 145 . 1 1 51 51 VAL HG21 H 1 0.820 0.03 . 2 . . . . 16 . . . 6177 1 146 . 1 1 51 51 VAL HG22 H 1 0.820 0.03 . 2 . . . . 16 . . . 6177 1 147 . 1 1 51 51 VAL HG23 H 1 0.820 0.03 . 2 . . . . 16 . . . 6177 1 148 . 1 1 51 51 VAL CG1 C 13 23.100 0.75 . 1 . . . . 16 . . . 6177 1 149 . 1 1 51 51 VAL HG11 H 1 0.750 0.03 . 2 . . . . 16 . . . 6177 1 150 . 1 1 51 51 VAL HG12 H 1 0.750 0.03 . 2 . . . . 16 . . . 6177 1 151 . 1 1 51 51 VAL HG13 H 1 0.750 0.03 . 2 . . . . 16 . . . 6177 1 152 . 1 1 51 51 VAL C C 13 175.170 0.75 . 1 . . . . 16 . . . 6177 1 153 . 1 1 52 52 GLU N N 15 125.913 0.5 . 1 . . . . 17 . . . 6177 1 154 . 1 1 52 52 GLU H H 1 9.080 0.03 . 1 . . . . 17 . . . 6177 1 155 . 1 1 52 52 GLU CA C 13 55.650 0.75 . 1 . . . . 17 . . . 6177 1 156 . 1 1 52 52 GLU HA H 1 4.570 0.03 . 1 . . . . 17 . . . 6177 1 157 . 1 1 52 52 GLU CB C 13 32.990 0.75 . 1 . . . . 17 . . . 6177 1 158 . 1 1 52 52 GLU HB3 H 1 2.040 0.03 . 2 . . . . 17 . . . 6177 1 159 . 1 1 52 52 GLU HB2 H 1 1.910 0.03 . 2 . . . . 17 . . . 6177 1 160 . 1 1 52 52 GLU CG C 13 37.894 0.75 . 1 . . . . 17 . . . 6177 1 161 . 1 1 52 52 GLU HG3 H 1 2.260 0.03 . 2 . . . . 17 . . . 6177 1 162 . 1 1 52 52 GLU HG2 H 1 2.210 0.03 . 2 . . . . 17 . . . 6177 1 163 . 1 1 52 52 GLU C C 13 176.860 0.75 . 1 . . . . 17 . . . 6177 1 164 . 1 1 53 53 ASN N N 15 118.526 0.5 . 1 . . . . 18 . . . 6177 1 165 . 1 1 53 53 ASN H H 1 9.029 0.03 . 1 . . . . 18 . . . 6177 1 166 . 1 1 53 53 ASN CA C 13 53.900 0.75 . 1 . . . . 18 . . . 6177 1 167 . 1 1 53 53 ASN HA H 1 4.030 0.03 . 1 . . . . 18 . . . 6177 1 168 . 1 1 53 53 ASN CB C 13 36.820 0.75 . 1 . . . . 18 . . . 6177 1 169 . 1 1 53 53 ASN HB3 H 1 2.960 0.03 . 2 . . . . 18 . . . 6177 1 170 . 1 1 53 53 ASN HB2 H 1 2.560 0.03 . 2 . . . . 18 . . . 6177 1 171 . 1 1 53 53 ASN ND2 N 15 114.500 0.5 . 1 . . . . 18 . . . 6177 1 172 . 1 1 53 53 ASN HD21 H 1 6.970 0.03 . 2 . . . . 18 . . . 6177 1 173 . 1 1 53 53 ASN HD22 H 1 7.770 0.03 . 2 . . . . 18 . . . 6177 1 174 . 1 1 53 53 ASN C C 13 175.840 0.75 . 1 . . . . 18 . . . 6177 1 175 . 1 1 54 54 LEU N N 15 124.027 0.5 . 1 . . . . 19 . . . 6177 1 176 . 1 1 54 54 LEU H H 1 8.324 0.03 . 1 . . . . 19 . . . 6177 1 177 . 1 1 54 54 LEU CA C 13 55.400 0.75 . 1 . . . . 19 . . . 6177 1 178 . 1 1 54 54 LEU HA H 1 4.530 0.03 . 1 . . . . 19 . . . 6177 1 179 . 1 1 54 54 LEU CB C 13 41.690 0.75 . 1 . . . . 19 . . . 6177 1 180 . 1 1 54 54 LEU HB3 H 1 1.930 0.03 . 2 . . . . 19 . . . 6177 1 181 . 1 1 54 54 LEU HB2 H 1 1.220 0.03 . 2 . . . . 19 . . . 6177 1 182 . 1 1 54 54 LEU CG C 13 27.064 0.75 . 1 . . . . 19 . . . 6177 1 183 . 1 1 54 54 LEU HG H 1 1.480 0.03 . 1 . . . . 19 . . . 6177 1 184 . 1 1 54 54 LEU CD1 C 13 26.300 0.75 . 1 . . . . 19 . . . 6177 1 185 . 1 1 54 54 LEU HD11 H 1 0.820 0.03 . 1 . . . . 19 . . . 6177 1 186 . 1 1 54 54 LEU HD12 H 1 0.820 0.03 . 1 . . . . 19 . . . 6177 1 187 . 1 1 54 54 LEU HD13 H 1 0.820 0.03 . 1 . . . . 19 . . . 6177 1 188 . 1 1 54 54 LEU CD2 C 13 26.300 0.75 . 1 . . . . 19 . . . 6177 1 189 . 1 1 54 54 LEU HD21 H 1 0.820 0.03 . 1 . . . . 19 . . . 6177 1 190 . 1 1 54 54 LEU HD22 H 1 0.820 0.03 . 1 . . . . 19 . . . 6177 1 191 . 1 1 54 54 LEU HD23 H 1 0.820 0.03 . 1 . . . . 19 . . . 6177 1 192 . 1 1 54 54 LEU C C 13 176.280 0.75 . 1 . . . . 19 . . . 6177 1 193 . 1 1 55 55 PHE N N 15 125.752 0.5 . 1 . . . . 20 . . . 6177 1 194 . 1 1 55 55 PHE H H 1 7.858 0.03 . 1 . . . . 20 . . . 6177 1 195 . 1 1 55 55 PHE CA C 13 57.330 0.75 . 1 . . . . 20 . . . 6177 1 196 . 1 1 55 55 PHE HA H 1 4.660 0.03 . 1 . . . . 20 . . . 6177 1 197 . 1 1 55 55 PHE CB C 13 39.380 0.75 . 1 . . . . 20 . . . 6177 1 198 . 1 1 55 55 PHE HB3 H 1 3.210 0.03 . 2 . . . . 20 . . . 6177 1 199 . 1 1 55 55 PHE HB2 H 1 2.930 0.03 . 2 . . . . 20 . . . 6177 1 200 . 1 1 55 55 PHE CD1 C 13 131.600 0.75 . 1 . . . . 20 . . . 6177 1 201 . 1 1 55 55 PHE HD1 H 1 7.050 0.03 . 1 . . . . 20 . . . 6177 1 202 . 1 1 55 55 PHE CD2 C 13 131.600 0.75 . 1 . . . . 20 . . . 6177 1 203 . 1 1 55 55 PHE HD2 H 1 7.050 0.03 . 1 . . . . 20 . . . 6177 1 204 . 1 1 55 55 PHE C C 13 174.460 0.75 . 1 . . . . 20 . . . 6177 1 205 . 1 1 56 56 TYR N N 15 117.912 0.5 . 1 . . . . 21 . . . 6177 1 206 . 1 1 56 56 TYR H H 1 7.294 0.03 . 1 . . . . 21 . . . 6177 1 207 . 1 1 56 56 TYR CA C 13 55.570 0.75 . 1 . . . . 21 . . . 6177 1 208 . 1 1 56 56 TYR HA H 1 4.640 0.03 . 1 . . . . 21 . . . 6177 1 209 . 1 1 56 56 TYR CB C 13 40.776 0.75 . 1 . . . . 21 . . . 6177 1 210 . 1 1 56 56 TYR HB3 H 1 2.750 0.03 . 2 . . . . 21 . . . 6177 1 211 . 1 1 56 56 TYR HB2 H 1 2.310 0.03 . 2 . . . . 21 . . . 6177 1 212 . 1 1 56 56 TYR CD1 C 13 133.100 0.75 . 1 . . . . 21 . . . 6177 1 213 . 1 1 56 56 TYR HD1 H 1 6.920 0.03 . 1 . . . . 21 . . . 6177 1 214 . 1 1 56 56 TYR CD2 C 13 133.100 0.75 . 1 . . . . 21 . . . 6177 1 215 . 1 1 56 56 TYR HD2 H 1 6.920 0.03 . 1 . . . . 21 . . . 6177 1 216 . 1 1 56 56 TYR C C 13 172.130 0.75 . 1 . . . . 21 . . . 6177 1 217 . 1 1 57 57 PRO CA C 13 63.270 0.75 . 1 . . . . 22 . . . 6177 1 218 . 1 1 57 57 PRO HA H 1 4.170 0.03 . 1 . . . . 22 . . . 6177 1 219 . 1 1 57 57 PRO CB C 13 32.420 0.75 . 1 . . . . 22 . . . 6177 1 220 . 1 1 57 57 PRO HB3 H 1 2.160 0.03 . 2 . . . . 22 . . . 6177 1 221 . 1 1 57 57 PRO HB2 H 1 1.730 0.03 . 2 . . . . 22 . . . 6177 1 222 . 1 1 57 57 PRO CG C 13 28.200 0.75 . 1 . . . . 22 . . . 6177 1 223 . 1 1 57 57 PRO HG3 H 1 1.960 0.03 . 2 . . . . 22 . . . 6177 1 224 . 1 1 57 57 PRO HG2 H 1 1.880 0.03 . 2 . . . . 22 . . . 6177 1 225 . 1 1 57 57 PRO CD C 13 50.200 0.75 . 1 . . . . 22 . . . 6177 1 226 . 1 1 57 57 PRO HD3 H 1 3.620 0.03 . 2 . . . . 22 . . . 6177 1 227 . 1 1 57 57 PRO HD2 H 1 3.290 0.03 . 2 . . . . 22 . . . 6177 1 228 . 1 1 57 57 PRO C C 13 176.520 0.75 . 1 . . . . 22 . . . 6177 1 229 . 1 1 58 58 VAL N N 15 122.458 0.5 . 1 . . . . 23 . . . 6177 1 230 . 1 1 58 58 VAL H H 1 7.945 0.03 . 1 . . . . 23 . . . 6177 1 231 . 1 1 58 58 VAL CA C 13 62.800 0.75 . 1 . . . . 23 . . . 6177 1 232 . 1 1 58 58 VAL HA H 1 4.050 0.03 . 1 . . . . 23 . . . 6177 1 233 . 1 1 58 58 VAL CB C 13 33.550 0.75 . 1 . . . . 23 . . . 6177 1 234 . 1 1 58 58 VAL HB H 1 1.450 0.03 . 1 . . . . 23 . . . 6177 1 235 . 1 1 58 58 VAL CG2 C 13 23.000 0.75 . 1 . . . . 23 . . . 6177 1 236 . 1 1 58 58 VAL HG21 H 1 0.930 0.03 . 2 . . . . 23 . . . 6177 1 237 . 1 1 58 58 VAL HG22 H 1 0.930 0.03 . 2 . . . . 23 . . . 6177 1 238 . 1 1 58 58 VAL HG23 H 1 0.930 0.03 . 2 . . . . 23 . . . 6177 1 239 . 1 1 58 58 VAL CG1 C 13 22.100 0.75 . 1 . . . . 23 . . . 6177 1 240 . 1 1 58 58 VAL HG11 H 1 0.760 0.03 . 2 . . . . 23 . . . 6177 1 241 . 1 1 58 58 VAL HG12 H 1 0.760 0.03 . 2 . . . . 23 . . . 6177 1 242 . 1 1 58 58 VAL HG13 H 1 0.760 0.03 . 2 . . . . 23 . . . 6177 1 243 . 1 1 58 58 VAL C C 13 174.050 0.75 . 1 . . . . 23 . . . 6177 1 244 . 1 1 59 59 THR N N 15 113.113 0.5 . 1 . . . . 24 . . . 6177 1 245 . 1 1 59 59 THR H H 1 6.654 0.03 . 1 . . . . 24 . . . 6177 1 246 . 1 1 59 59 THR CA C 13 60.040 0.75 . 1 . . . . 24 . . . 6177 1 247 . 1 1 59 59 THR HA H 1 4.690 0.03 . 1 . . . . 24 . . . 6177 1 248 . 1 1 59 59 THR CB C 13 72.320 0.75 . 1 . . . . 24 . . . 6177 1 249 . 1 1 59 59 THR HB H 1 4.740 0.03 . 1 . . . . 24 . . . 6177 1 250 . 1 1 59 59 THR CG2 C 13 22.400 0.75 . 1 . . . . 24 . . . 6177 1 251 . 1 1 59 59 THR HG21 H 1 1.260 0.03 . 1 . . . . 24 . . . 6177 1 252 . 1 1 59 59 THR HG22 H 1 1.260 0.03 . 1 . . . . 24 . . . 6177 1 253 . 1 1 59 59 THR HG23 H 1 1.260 0.03 . 1 . . . . 24 . . . 6177 1 254 . 1 1 59 59 THR C C 13 175.230 0.75 . 1 . . . . 24 . . . 6177 1 255 . 1 1 60 60 LEU N N 15 121.014 0.5 . 1 . . . . 25 . . . 6177 1 256 . 1 1 60 60 LEU H H 1 8.925 0.03 . 1 . . . . 25 . . . 6177 1 257 . 1 1 60 60 LEU CA C 13 60.120 0.75 . 1 . . . . 25 . . . 6177 1 258 . 1 1 60 60 LEU HA H 1 3.910 0.03 . 1 . . . . 25 . . . 6177 1 259 . 1 1 60 60 LEU CB C 13 42.810 0.75 . 1 . . . . 25 . . . 6177 1 260 . 1 1 60 60 LEU HB3 H 1 1.820 0.03 . 2 . . . . 25 . . . 6177 1 261 . 1 1 60 60 LEU HB2 H 1 1.630 0.03 . 2 . . . . 25 . . . 6177 1 262 . 1 1 60 60 LEU CG C 13 27.554 0.75 . 1 . . . . 25 . . . 6177 1 263 . 1 1 60 60 LEU HG H 1 1.660 0.03 . 1 . . . . 25 . . . 6177 1 264 . 1 1 60 60 LEU CD1 C 13 25.800 0.75 . 1 . . . . 25 . . . 6177 1 265 . 1 1 60 60 LEU HD11 H 1 0.800 0.03 . 2 . . . . 25 . . . 6177 1 266 . 1 1 60 60 LEU HD12 H 1 0.800 0.03 . 2 . . . . 25 . . . 6177 1 267 . 1 1 60 60 LEU HD13 H 1 0.800 0.03 . 2 . . . . 25 . . . 6177 1 268 . 1 1 60 60 LEU CD2 C 13 27.700 0.75 . 1 . . . . 25 . . . 6177 1 269 . 1 1 60 60 LEU HD21 H 1 0.770 0.03 . 2 . . . . 25 . . . 6177 1 270 . 1 1 60 60 LEU HD22 H 1 0.770 0.03 . 2 . . . . 25 . . . 6177 1 271 . 1 1 60 60 LEU HD23 H 1 0.770 0.03 . 2 . . . . 25 . . . 6177 1 272 . 1 1 60 60 LEU C C 13 178.300 0.75 . 1 . . . . 25 . . . 6177 1 273 . 1 1 61 61 ASP N N 15 115.231 0.5 . 1 . . . . 26 . . . 6177 1 274 . 1 1 61 61 ASP H H 1 8.058 0.03 . 1 . . . . 26 . . . 6177 1 275 . 1 1 61 61 ASP CA C 13 57.960 0.75 . 1 . . . . 26 . . . 6177 1 276 . 1 1 61 61 ASP HA H 1 4.440 0.03 . 1 . . . . 26 . . . 6177 1 277 . 1 1 61 61 ASP CB C 13 41.290 0.75 . 1 . . . . 26 . . . 6177 1 278 . 1 1 61 61 ASP HB3 H 1 2.710 0.03 . 2 . . . . 26 . . . 6177 1 279 . 1 1 61 61 ASP HB2 H 1 2.610 0.03 . 2 . . . . 26 . . . 6177 1 280 . 1 1 61 61 ASP C C 13 178.870 0.75 . 1 . . . . 26 . . . 6177 1 281 . 1 1 62 62 VAL N N 15 121.231 0.5 . 1 . . . . 27 . . . 6177 1 282 . 1 1 62 62 VAL H H 1 7.525 0.03 . 1 . . . . 27 . . . 6177 1 283 . 1 1 62 62 VAL CA C 13 66.600 0.75 . 1 . . . . 27 . . . 6177 1 284 . 1 1 62 62 VAL HA H 1 3.820 0.03 . 1 . . . . 27 . . . 6177 1 285 . 1 1 62 62 VAL CB C 13 32.750 0.75 . 1 . . . . 27 . . . 6177 1 286 . 1 1 62 62 VAL HB H 1 2.220 0.03 . 1 . . . . 27 . . . 6177 1 287 . 1 1 62 62 VAL CG2 C 13 23.470 0.75 . 1 . . . . 27 . . . 6177 1 288 . 1 1 62 62 VAL HG21 H 1 1.190 0.03 . 2 . . . . 27 . . . 6177 1 289 . 1 1 62 62 VAL HG22 H 1 1.190 0.03 . 2 . . . . 27 . . . 6177 1 290 . 1 1 62 62 VAL HG23 H 1 1.190 0.03 . 2 . . . . 27 . . . 6177 1 291 . 1 1 62 62 VAL CG1 C 13 21.590 0.75 . 1 . . . . 27 . . . 6177 1 292 . 1 1 62 62 VAL HG11 H 1 1.060 0.03 . 2 . . . . 27 . . . 6177 1 293 . 1 1 62 62 VAL HG12 H 1 1.060 0.03 . 2 . . . . 27 . . . 6177 1 294 . 1 1 62 62 VAL HG13 H 1 1.060 0.03 . 2 . . . . 27 . . . 6177 1 295 . 1 1 62 62 VAL C C 13 178.000 0.75 . 1 . . . . 27 . . . 6177 1 296 . 1 1 63 63 LEU N N 15 117.853 0.5 . 1 . . . . 28 . . . 6177 1 297 . 1 1 63 63 LEU H H 1 7.746 0.03 . 1 . . . . 28 . . . 6177 1 298 . 1 1 63 63 LEU CA C 13 58.120 0.75 . 1 . . . . 28 . . . 6177 1 299 . 1 1 63 63 LEU HA H 1 4.160 0.03 . 1 . . . . 28 . . . 6177 1 300 . 1 1 63 63 LEU CB C 13 42.570 0.75 . 1 . . . . 28 . . . 6177 1 301 . 1 1 63 63 LEU HB3 H 1 2.160 0.03 . 2 . . . . 28 . . . 6177 1 302 . 1 1 63 63 LEU HB2 H 1 1.200 0.03 . 2 . . . . 28 . . . 6177 1 303 . 1 1 63 63 LEU CG C 13 26.824 0.75 . 1 . . . . 28 . . . 6177 1 304 . 1 1 63 63 LEU HG H 1 1.850 0.03 . 1 . . . . 28 . . . 6177 1 305 . 1 1 63 63 LEU CD1 C 13 23.000 0.75 . 1 . . . . 28 . . . 6177 1 306 . 1 1 63 63 LEU HD11 H 1 0.810 0.03 . 2 . . . . 28 . . . 6177 1 307 . 1 1 63 63 LEU HD12 H 1 0.810 0.03 . 2 . . . . 28 . . . 6177 1 308 . 1 1 63 63 LEU HD13 H 1 0.810 0.03 . 2 . . . . 28 . . . 6177 1 309 . 1 1 63 63 LEU CD2 C 13 26.800 0.75 . 1 . . . . 28 . . . 6177 1 310 . 1 1 63 63 LEU HD21 H 1 0.760 0.03 . 2 . . . . 28 . . . 6177 1 311 . 1 1 63 63 LEU HD22 H 1 0.760 0.03 . 2 . . . . 28 . . . 6177 1 312 . 1 1 63 63 LEU HD23 H 1 0.760 0.03 . 2 . . . . 28 . . . 6177 1 313 . 1 1 63 63 LEU C C 13 178.890 0.75 . 1 . . . . 28 . . . 6177 1 314 . 1 1 64 64 HIS N N 15 119.142 0.5 . 1 . . . . 29 . . . 6177 1 315 . 1 1 64 64 HIS H H 1 9.125 0.03 . 1 . . . . 29 . . . 6177 1 316 . 1 1 64 64 HIS CA C 13 62.900 0.75 . 1 . . . . 29 . . . 6177 1 317 . 1 1 64 64 HIS HA H 1 3.710 0.03 . 1 . . . . 29 . . . 6177 1 318 . 1 1 64 64 HIS CB C 13 31.080 0.75 . 1 . . . . 29 . . . 6177 1 319 . 1 1 64 64 HIS HB3 H 1 3.270 0.03 . 2 . . . . 29 . . . 6177 1 320 . 1 1 64 64 HIS HB2 H 1 3.210 0.03 . 2 . . . . 29 . . . 6177 1 321 . 1 1 64 64 HIS CD2 C 13 117.170 0.75 . 1 . . . . 29 . . . 6177 1 322 . 1 1 64 64 HIS HD2 H 1 5.690 0.03 . 3 . . . . 29 . . . 6177 1 323 . 1 1 64 64 HIS C C 13 178.700 0.75 . 1 . . . . 29 . . . 6177 1 324 . 1 1 65 65 GLN N N 15 120.933 0.5 . 1 . . . . 30 . . . 6177 1 325 . 1 1 65 65 GLN H H 1 8.359 0.03 . 1 . . . . 30 . . . 6177 1 326 . 1 1 65 65 GLN CA C 13 60.440 0.75 . 1 . . . . 30 . . . 6177 1 327 . 1 1 65 65 GLN HA H 1 3.920 0.03 . 1 . . . . 30 . . . 6177 1 328 . 1 1 65 65 GLN CB C 13 29.080 0.75 . 1 . . . . 30 . . . 6177 1 329 . 1 1 65 65 GLN HB3 H 1 2.280 0.03 . 2 . . . . 30 . . . 6177 1 330 . 1 1 65 65 GLN HB2 H 1 2.360 0.03 . 2 . . . . 30 . . . 6177 1 331 . 1 1 65 65 GLN CG C 13 34.484 0.75 . 1 . . . . 30 . . . 6177 1 332 . 1 1 65 65 GLN HG3 H 1 2.580 0.03 . 2 . . . . 30 . . . 6177 1 333 . 1 1 65 65 GLN HG2 H 1 2.430 0.03 . 2 . . . . 30 . . . 6177 1 334 . 1 1 65 65 GLN NE2 N 15 110.800 0.5 . 1 . . . . 30 . . . 6177 1 335 . 1 1 65 65 GLN HE21 H 1 6.780 0.03 . 2 . . . . 30 . . . 6177 1 336 . 1 1 65 65 GLN HE22 H 1 7.450 0.03 . 2 . . . . 30 . . . 6177 1 337 . 1 1 65 65 GLN C C 13 178.610 0.75 . 1 . . . . 30 . . . 6177 1 338 . 1 1 66 66 ILE N N 15 117.454 0.5 . 1 . . . . 31 . . . 6177 1 339 . 1 1 66 66 ILE H H 1 8.001 0.03 . 1 . . . . 31 . . . 6177 1 340 . 1 1 66 66 ILE CA C 13 64.800 0.75 . 1 . . . . 31 . . . 6177 1 341 . 1 1 66 66 ILE HA H 1 3.740 0.03 . 1 . . . . 31 . . . 6177 1 342 . 1 1 66 66 ILE CB C 13 39.640 0.75 . 1 . . . . 31 . . . 6177 1 343 . 1 1 66 66 ILE HB H 1 1.800 0.03 . 1 . . . . 31 . . . 6177 1 344 . 1 1 66 66 ILE CG1 C 13 29.004 0.75 . 2 . . . . 31 . . . 6177 1 345 . 1 1 66 66 ILE HG13 H 1 1.750 0.03 . 1 . . . . 31 . . . 6177 1 346 . 1 1 66 66 ILE HG12 H 1 1.200 0.03 . 1 . . . . 31 . . . 6177 1 347 . 1 1 66 66 ILE CD1 C 13 15.000 0.75 . 1 . . . . 31 . . . 6177 1 348 . 1 1 66 66 ILE HD11 H 1 0.790 0.03 . 1 . . . . 31 . . . 6177 1 349 . 1 1 66 66 ILE HD12 H 1 0.790 0.03 . 1 . . . . 31 . . . 6177 1 350 . 1 1 66 66 ILE HD13 H 1 0.790 0.03 . 1 . . . . 31 . . . 6177 1 351 . 1 1 66 66 ILE CG2 C 13 17.900 0.75 . 1 . . . . 31 . . . 6177 1 352 . 1 1 66 66 ILE HG21 H 1 0.510 0.03 . 1 . . . . 31 . . . 6177 1 353 . 1 1 66 66 ILE HG22 H 1 0.510 0.03 . 1 . . . . 31 . . . 6177 1 354 . 1 1 66 66 ILE HG23 H 1 0.510 0.03 . 1 . . . . 31 . . . 6177 1 355 . 1 1 66 66 ILE C C 13 178.640 0.75 . 1 . . . . 31 . . . 6177 1 356 . 1 1 67 67 PHE N N 15 114.635 0.5 . 1 . . . . 32 . . . 6177 1 357 . 1 1 67 67 PHE H H 1 8.565 0.03 . 1 . . . . 32 . . . 6177 1 358 . 1 1 67 67 PHE CA C 13 62.400 0.75 . 1 . . . . 32 . . . 6177 1 359 . 1 1 67 67 PHE HA H 1 4.230 0.03 . 1 . . . . 32 . . . 6177 1 360 . 1 1 67 67 PHE CB C 13 38.300 0.75 . 1 . . . . 32 . . . 6177 1 361 . 1 1 67 67 PHE HB3 H 1 3.060 0.03 . 2 . . . . 32 . . . 6177 1 362 . 1 1 67 67 PHE HB2 H 1 2.810 0.03 . 2 . . . . 32 . . . 6177 1 363 . 1 1 67 67 PHE CD1 C 13 131.800 0.75 . 1 . . . . 32 . . . 6177 1 364 . 1 1 67 67 PHE HD1 H 1 7.930 0.03 . 1 . . . . 32 . . . 6177 1 365 . 1 1 67 67 PHE CE1 C 13 129.800 0.75 . 1 . . . . 32 . . . 6177 1 366 . 1 1 67 67 PHE HE1 H 1 6.980 0.03 . 1 . . . . 32 . . . 6177 1 367 . 1 1 67 67 PHE CE2 C 13 129.800 0.75 . 1 . . . . 32 . . . 6177 1 368 . 1 1 67 67 PHE HE2 H 1 6.980 0.03 . 1 . . . . 32 . . . 6177 1 369 . 1 1 67 67 PHE CD2 C 13 131.800 0.75 . 1 . . . . 32 . . . 6177 1 370 . 1 1 67 67 PHE HD2 H 1 7.930 0.03 . 1 . . . . 32 . . . 6177 1 371 . 1 1 67 67 PHE C C 13 180.810 0.75 . 1 . . . . 32 . . . 6177 1 372 . 1 1 68 68 SER N N 15 120.692 0.5 . 1 . . . . 33 . . . 6177 1 373 . 1 1 68 68 SER H H 1 8.521 0.03 . 1 . . . . 33 . . . 6177 1 374 . 1 1 68 68 SER CA C 13 61.800 0.75 . 1 . . . . 33 . . . 6177 1 375 . 1 1 68 68 SER HA H 1 4.920 0.03 . 1 . . . . 33 . . . 6177 1 376 . 1 1 68 68 SER CB C 13 62.900 0.75 . 1 . . . . 33 . . . 6177 1 377 . 1 1 68 68 SER HB3 H 1 3.890 0.03 . 2 . . . . 33 . . . 6177 1 378 . 1 1 68 68 SER HB2 H 1 3.630 0.03 . 2 . . . . 33 . . . 6177 1 379 . 1 1 68 68 SER C C 13 173.950 0.75 . 1 . . . . 33 . . . 6177 1 380 . 1 1 69 69 LYS N N 15 118.688 0.5 . 1 . . . . 34 . . . 6177 1 381 . 1 1 69 69 LYS H H 1 6.810 0.03 . 1 . . . . 34 . . . 6177 1 382 . 1 1 69 69 LYS CA C 13 58.200 0.75 . 1 . . . . 34 . . . 6177 1 383 . 1 1 69 69 LYS HA H 1 3.920 0.03 . 1 . . . . 34 . . . 6177 1 384 . 1 1 69 69 LYS CB C 13 32.390 0.75 . 1 . . . . 34 . . . 6177 1 385 . 1 1 69 69 LYS HB3 H 1 1.430 0.03 . 2 . . . . 34 . . . 6177 1 386 . 1 1 69 69 LYS HB2 H 1 1.170 0.03 . 2 . . . . 34 . . . 6177 1 387 . 1 1 69 69 LYS CG C 13 25.300 0.75 . 1 . . . . 34 . . . 6177 1 388 . 1 1 69 69 LYS HG3 H 1 1.250 0.03 . 2 . . . . 34 . . . 6177 1 389 . 1 1 69 69 LYS HG2 H 1 1.000 0.03 . 2 . . . . 34 . . . 6177 1 390 . 1 1 69 69 LYS CD C 13 29.500 0.75 . 1 . . . . 34 . . . 6177 1 391 . 1 1 69 69 LYS HD3 H 1 1.470 0.03 . 1 . . . . 34 . . . 6177 1 392 . 1 1 69 69 LYS HD2 H 1 1.470 0.03 . 1 . . . . 34 . . . 6177 1 393 . 1 1 69 69 LYS CE C 13 43.084 0.75 . 1 . . . . 34 . . . 6177 1 394 . 1 1 69 69 LYS HE3 H 1 2.840 0.03 . 1 . . . . 34 . . . 6177 1 395 . 1 1 69 69 LYS HE2 H 1 2.840 0.03 . 1 . . . . 34 . . . 6177 1 396 . 1 1 69 69 LYS C C 13 176.840 0.75 . 1 . . . . 34 . . . 6177 1 397 . 1 1 70 70 PHE N N 15 112.363 0.5 . 1 . . . . 35 . . . 6177 1 398 . 1 1 70 70 PHE H H 1 7.105 0.03 . 1 . . . . 35 . . . 6177 1 399 . 1 1 70 70 PHE CA C 13 58.300 0.75 . 1 . . . . 35 . . . 6177 1 400 . 1 1 70 70 PHE HA H 1 4.460 0.03 . 1 . . . . 35 . . . 6177 1 401 . 1 1 70 70 PHE CB C 13 41.140 0.75 . 1 . . . . 35 . . . 6177 1 402 . 1 1 70 70 PHE HB3 H 1 3.410 0.03 . 2 . . . . 35 . . . 6177 1 403 . 1 1 70 70 PHE HB2 H 1 2.820 0.03 . 2 . . . . 35 . . . 6177 1 404 . 1 1 70 70 PHE CD1 C 13 130.700 0.75 . 1 . . . . 35 . . . 6177 1 405 . 1 1 70 70 PHE HD1 H 1 7.080 0.03 . 1 . . . . 35 . . . 6177 1 406 . 1 1 70 70 PHE CE1 C 13 131.000 0.75 . 1 . . . . 35 . . . 6177 1 407 . 1 1 70 70 PHE HE1 H 1 7.170 0.03 . 1 . . . . 35 . . . 6177 1 408 . 1 1 70 70 PHE CZ C 13 128.700 0.75 . 1 . . . . 35 . . . 6177 1 409 . 1 1 70 70 PHE HZ H 1 7.190 0.03 . 1 . . . . 35 . . . 6177 1 410 . 1 1 70 70 PHE CE2 C 13 131.000 0.75 . 1 . . . . 35 . . . 6177 1 411 . 1 1 70 70 PHE HE2 H 1 7.170 0.03 . 1 . . . . 35 . . . 6177 1 412 . 1 1 70 70 PHE CD2 C 13 130.700 0.75 . 1 . . . . 35 . . . 6177 1 413 . 1 1 70 70 PHE HD2 H 1 7.080 0.03 . 1 . . . . 35 . . . 6177 1 414 . 1 1 70 70 PHE C C 13 174.750 0.75 . 1 . . . . 35 . . . 6177 1 415 . 1 1 71 71 GLY N N 15 106.115 0.5 . 1 . . . . 36 . . . 6177 1 416 . 1 1 71 71 GLY H H 1 7.406 0.03 . 1 . . . . 36 . . . 6177 1 417 . 1 1 71 71 GLY CA C 13 45.550 0.75 . 1 . . . . 36 . . . 6177 1 418 . 1 1 71 71 GLY HA3 H 1 4.300 0.03 . 2 . . . . 36 . . . 6177 1 419 . 1 1 71 71 GLY HA2 H 1 4.070 0.03 . 2 . . . . 36 . . . 6177 1 420 . 1 1 71 71 GLY C C 13 171.070 0.75 . 1 . . . . 36 . . . 6177 1 421 . 1 1 72 72 THR N N 15 115.678 0.5 . 1 . . . . 37 . . . 6177 1 422 . 1 1 72 72 THR H H 1 8.701 0.03 . 1 . . . . 37 . . . 6177 1 423 . 1 1 72 72 THR CA C 13 63.400 0.75 . 1 . . . . 37 . . . 6177 1 424 . 1 1 72 72 THR HA H 1 4.320 0.03 . 1 . . . . 37 . . . 6177 1 425 . 1 1 72 72 THR CB C 13 69.990 0.75 . 1 . . . . 37 . . . 6177 1 426 . 1 1 72 72 THR HB H 1 4.050 0.03 . 1 . . . . 37 . . . 6177 1 427 . 1 1 72 72 THR CG2 C 13 22.530 0.75 . 1 . . . . 37 . . . 6177 1 428 . 1 1 72 72 THR HG21 H 1 1.180 0.03 . 1 . . . . 37 . . . 6177 1 429 . 1 1 72 72 THR HG22 H 1 1.180 0.03 . 1 . . . . 37 . . . 6177 1 430 . 1 1 72 72 THR HG23 H 1 1.180 0.03 . 1 . . . . 37 . . . 6177 1 431 . 1 1 72 72 THR C C 13 173.780 0.75 . 1 . . . . 37 . . . 6177 1 432 . 1 1 73 73 VAL N N 15 130.489 0.5 . 1 . . . . 38 . . . 6177 1 433 . 1 1 73 73 VAL H H 1 9.022 0.03 . 1 . . . . 38 . . . 6177 1 434 . 1 1 73 73 VAL CA C 13 63.450 0.75 . 1 . . . . 38 . . . 6177 1 435 . 1 1 73 73 VAL HA H 1 3.600 0.03 . 1 . . . . 38 . . . 6177 1 436 . 1 1 73 73 VAL CB C 13 32.470 0.75 . 1 . . . . 38 . . . 6177 1 437 . 1 1 73 73 VAL HB H 1 1.660 0.03 . 1 . . . . 38 . . . 6177 1 438 . 1 1 73 73 VAL CG2 C 13 22.000 0.75 . 1 . . . . 38 . . . 6177 1 439 . 1 1 73 73 VAL HG21 H 1 0.590 0.03 . 2 . . . . 38 . . . 6177 1 440 . 1 1 73 73 VAL HG22 H 1 0.590 0.03 . 2 . . . . 38 . . . 6177 1 441 . 1 1 73 73 VAL HG23 H 1 0.590 0.03 . 2 . . . . 38 . . . 6177 1 442 . 1 1 73 73 VAL CG1 C 13 22.500 0.75 . 1 . . . . 38 . . . 6177 1 443 . 1 1 73 73 VAL HG11 H 1 0.570 0.03 . 2 . . . . 38 . . . 6177 1 444 . 1 1 73 73 VAL HG12 H 1 0.570 0.03 . 2 . . . . 38 . . . 6177 1 445 . 1 1 73 73 VAL HG13 H 1 0.570 0.03 . 2 . . . . 38 . . . 6177 1 446 . 1 1 73 73 VAL C C 13 174.940 0.75 . 1 . . . . 38 . . . 6177 1 447 . 1 1 74 74 LEU N N 15 125.514 0.5 . 1 . . . . 39 . . . 6177 1 448 . 1 1 74 74 LEU H H 1 9.146 0.03 . 1 . . . . 39 . . . 6177 1 449 . 1 1 74 74 LEU CA C 13 56.800 0.75 . 1 . . . . 39 . . . 6177 1 450 . 1 1 74 74 LEU HA H 1 4.550 0.03 . 1 . . . . 39 . . . 6177 1 451 . 1 1 74 74 LEU CB C 13 44.290 0.75 . 1 . . . . 39 . . . 6177 1 452 . 1 1 74 74 LEU HB3 H 1 1.550 0.03 . 2 . . . . 39 . . . 6177 1 453 . 1 1 74 74 LEU HB2 H 1 1.480 0.03 . 2 . . . . 39 . . . 6177 1 454 . 1 1 74 74 LEU CG C 13 27.074 0.75 . 1 . . . . 39 . . . 6177 1 455 . 1 1 74 74 LEU HG H 1 1.590 0.03 . 1 . . . . 39 . . . 6177 1 456 . 1 1 74 74 LEU CD1 C 13 23.200 0.75 . 1 . . . . 39 . . . 6177 1 457 . 1 1 74 74 LEU HD11 H 1 0.820 0.03 . 2 . . . . 39 . . . 6177 1 458 . 1 1 74 74 LEU HD12 H 1 0.820 0.03 . 2 . . . . 39 . . . 6177 1 459 . 1 1 74 74 LEU HD13 H 1 0.820 0.03 . 2 . . . . 39 . . . 6177 1 460 . 1 1 74 74 LEU CD2 C 13 26.800 0.75 . 1 . . . . 39 . . . 6177 1 461 . 1 1 74 74 LEU HD21 H 1 0.940 0.03 . 2 . . . . 39 . . . 6177 1 462 . 1 1 74 74 LEU HD22 H 1 0.940 0.03 . 2 . . . . 39 . . . 6177 1 463 . 1 1 74 74 LEU HD23 H 1 0.940 0.03 . 2 . . . . 39 . . . 6177 1 464 . 1 1 74 74 LEU C C 13 176.980 0.75 . 1 . . . . 39 . . . 6177 1 465 . 1 1 75 75 LYS N N 15 113.043 0.5 . 1 . . . . 40 . . . 6177 1 466 . 1 1 75 75 LYS H H 1 7.226 0.03 . 1 . . . . 40 . . . 6177 1 467 . 1 1 75 75 LYS CA C 13 54.900 0.75 . 1 . . . . 40 . . . 6177 1 468 . 1 1 75 75 LYS HA H 1 5.630 0.03 . 1 . . . . 40 . . . 6177 1 469 . 1 1 75 75 LYS CB C 13 40.590 0.75 . 1 . . . . 40 . . . 6177 1 470 . 1 1 75 75 LYS HB3 H 1 1.840 0.03 . 2 . . . . 40 . . . 6177 1 471 . 1 1 75 75 LYS HB2 H 1 1.670 0.03 . 2 . . . . 40 . . . 6177 1 472 . 1 1 75 75 LYS CG C 13 27.184 0.75 . 1 . . . . 40 . . . 6177 1 473 . 1 1 75 75 LYS HG3 H 1 1.560 0.03 . 2 . . . . 40 . . . 6177 1 474 . 1 1 75 75 LYS HG2 H 1 1.280 0.03 . 2 . . . . 40 . . . 6177 1 475 . 1 1 75 75 LYS CD C 13 31.000 0.75 . 1 . . . . 40 . . . 6177 1 476 . 1 1 75 75 LYS HD3 H 1 1.670 0.03 . 2 . . . . 40 . . . 6177 1 477 . 1 1 75 75 LYS HD2 H 1 1.500 0.03 . 2 . . . . 40 . . . 6177 1 478 . 1 1 75 75 LYS CE C 13 44.114 0.75 . 1 . . . . 40 . . . 6177 1 479 . 1 1 75 75 LYS HE3 H 1 2.990 0.03 . 2 . . . . 40 . . . 6177 1 480 . 1 1 75 75 LYS HE2 H 1 2.870 0.03 . 2 . . . . 40 . . . 6177 1 481 . 1 1 75 75 LYS C C 13 174.770 0.75 . 1 . . . . 40 . . . 6177 1 482 . 1 1 76 76 ILE N N 15 118.976 0.5 . 1 . . . . 41 . . . 6177 1 483 . 1 1 76 76 ILE H H 1 8.825 0.03 . 1 . . . . 41 . . . 6177 1 484 . 1 1 76 76 ILE CA C 13 60.940 0.75 . 1 . . . . 41 . . . 6177 1 485 . 1 1 76 76 ILE HA H 1 5.000 0.03 . 1 . . . . 41 . . . 6177 1 486 . 1 1 76 76 ILE CB C 13 43.820 0.75 . 1 . . . . 41 . . . 6177 1 487 . 1 1 76 76 ILE HB H 1 1.670 0.03 . 1 . . . . 41 . . . 6177 1 488 . 1 1 76 76 ILE CG1 C 13 28.800 0.75 . 2 . . . . 41 . . . 6177 1 489 . 1 1 76 76 ILE HG13 H 1 1.670 0.03 . 1 . . . . 41 . . . 6177 1 490 . 1 1 76 76 ILE HG12 H 1 0.870 0.03 . 1 . . . . 41 . . . 6177 1 491 . 1 1 76 76 ILE CD1 C 13 14.300 0.75 . 1 . . . . 41 . . . 6177 1 492 . 1 1 76 76 ILE HD11 H 1 0.970 0.03 . 1 . . . . 41 . . . 6177 1 493 . 1 1 76 76 ILE HD12 H 1 0.970 0.03 . 1 . . . . 41 . . . 6177 1 494 . 1 1 76 76 ILE HD13 H 1 0.970 0.03 . 1 . . . . 41 . . . 6177 1 495 . 1 1 76 76 ILE CG2 C 13 18.800 0.75 . 1 . . . . 41 . . . 6177 1 496 . 1 1 76 76 ILE HG21 H 1 0.830 0.03 . 1 . . . . 41 . . . 6177 1 497 . 1 1 76 76 ILE HG22 H 1 0.830 0.03 . 1 . . . . 41 . . . 6177 1 498 . 1 1 76 76 ILE HG23 H 1 0.830 0.03 . 1 . . . . 41 . . . 6177 1 499 . 1 1 76 76 ILE C C 13 176.420 0.75 . 1 . . . . 41 . . . 6177 1 500 . 1 1 77 77 ILE N N 15 124.400 0.5 . 1 . . . . 42 . . . 6177 1 501 . 1 1 77 77 ILE H H 1 8.960 0.03 . 1 . . . . 42 . . . 6177 1 502 . 1 1 77 77 ILE CA C 13 62.020 0.75 . 1 . . . . 42 . . . 6177 1 503 . 1 1 77 77 ILE HA H 1 4.630 0.03 . 1 . . . . 42 . . . 6177 1 504 . 1 1 77 77 ILE CB C 13 43.820 0.75 . 1 . . . . 42 . . . 6177 1 505 . 1 1 77 77 ILE HB H 1 1.660 0.03 . 1 . . . . 42 . . . 6177 1 506 . 1 1 77 77 ILE CG1 C 13 28.524 0.75 . 2 . . . . 42 . . . 6177 1 507 . 1 1 77 77 ILE HG13 H 1 1.570 0.03 . 1 . . . . 42 . . . 6177 1 508 . 1 1 77 77 ILE HG12 H 1 1.040 0.03 . 1 . . . . 42 . . . 6177 1 509 . 1 1 77 77 ILE CD1 C 13 15.500 0.75 . 1 . . . . 42 . . . 6177 1 510 . 1 1 77 77 ILE HD11 H 1 0.920 0.03 . 1 . . . . 42 . . . 6177 1 511 . 1 1 77 77 ILE HD12 H 1 0.920 0.03 . 1 . . . . 42 . . . 6177 1 512 . 1 1 77 77 ILE HD13 H 1 0.920 0.03 . 1 . . . . 42 . . . 6177 1 513 . 1 1 77 77 ILE CG2 C 13 18.300 0.75 . 1 . . . . 42 . . . 6177 1 514 . 1 1 77 77 ILE HG21 H 1 1.000 0.03 . 1 . . . . 42 . . . 6177 1 515 . 1 1 77 77 ILE HG22 H 1 1.000 0.03 . 1 . . . . 42 . . . 6177 1 516 . 1 1 77 77 ILE HG23 H 1 1.000 0.03 . 1 . . . . 42 . . . 6177 1 517 . 1 1 77 77 ILE C C 13 174.750 0.75 . 1 . . . . 42 . . . 6177 1 518 . 1 1 78 78 THR N N 15 116.064 0.5 . 1 . . . . 43 . . . 6177 1 519 . 1 1 78 78 THR H H 1 8.573 0.03 . 1 . . . . 43 . . . 6177 1 520 . 1 1 78 78 THR CA C 13 59.600 0.75 . 1 . . . . 43 . . . 6177 1 521 . 1 1 78 78 THR HA H 1 5.250 0.03 . 1 . . . . 43 . . . 6177 1 522 . 1 1 78 78 THR CB C 13 71.900 0.75 . 1 . . . . 43 . . . 6177 1 523 . 1 1 78 78 THR HB H 1 4.020 0.03 . 1 . . . . 43 . . . 6177 1 524 . 1 1 78 78 THR CG2 C 13 23.000 0.75 . 1 . . . . 43 . . . 6177 1 525 . 1 1 78 78 THR HG21 H 1 1.080 0.03 . 1 . . . . 43 . . . 6177 1 526 . 1 1 78 78 THR HG22 H 1 1.080 0.03 . 1 . . . . 43 . . . 6177 1 527 . 1 1 78 78 THR HG23 H 1 1.080 0.03 . 1 . . . . 43 . . . 6177 1 528 . 1 1 78 78 THR C C 13 172.820 0.75 . 1 . . . . 43 . . . 6177 1 529 . 1 1 79 79 PHE N N 15 116.118 0.5 . 1 . . . . 44 . . . 6177 1 530 . 1 1 79 79 PHE H H 1 8.415 0.03 . 1 . . . . 44 . . . 6177 1 531 . 1 1 79 79 PHE CA C 13 56.700 0.75 . 1 . . . . 44 . . . 6177 1 532 . 1 1 79 79 PHE HA H 1 4.810 0.03 . 1 . . . . 44 . . . 6177 1 533 . 1 1 79 79 PHE CB C 13 39.960 0.75 . 1 . . . . 44 . . . 6177 1 534 . 1 1 79 79 PHE HB3 H 1 3.410 0.03 . 2 . . . . 44 . . . 6177 1 535 . 1 1 79 79 PHE HB2 H 1 2.910 0.03 . 2 . . . . 44 . . . 6177 1 536 . 1 1 79 79 PHE CD1 C 13 132.160 0.75 . 1 . . . . 44 . . . 6177 1 537 . 1 1 79 79 PHE HD1 H 1 6.830 0.03 . 1 . . . . 44 . . . 6177 1 538 . 1 1 79 79 PHE CE1 C 13 130.300 0.75 . 1 . . . . 44 . . . 6177 1 539 . 1 1 79 79 PHE HE1 H 1 7.000 0.03 . 1 . . . . 44 . . . 6177 1 540 . 1 1 79 79 PHE CE2 C 13 130.300 0.75 . 1 . . . . 44 . . . 6177 1 541 . 1 1 79 79 PHE HE2 H 1 7.000 0.03 . 1 . . . . 44 . . . 6177 1 542 . 1 1 79 79 PHE CD2 C 13 132.160 0.75 . 1 . . . . 44 . . . 6177 1 543 . 1 1 79 79 PHE HD2 H 1 6.830 0.03 . 1 . . . . 44 . . . 6177 1 544 . 1 1 79 79 PHE C C 13 173.020 0.75 . 1 . . . . 44 . . . 6177 1 545 . 1 1 80 80 THR N N 15 113.999 0.5 . 1 . . . . 45 . . . 6177 1 546 . 1 1 80 80 THR H H 1 8.395 0.03 . 1 . . . . 45 . . . 6177 1 547 . 1 1 80 80 THR CA C 13 61.000 0.75 . 1 . . . . 45 . . . 6177 1 548 . 1 1 80 80 THR HA H 1 5.190 0.03 . 1 . . . . 45 . . . 6177 1 549 . 1 1 80 80 THR CB C 13 70.500 0.75 . 1 . . . . 45 . . . 6177 1 550 . 1 1 80 80 THR HB H 1 4.070 0.03 . 1 . . . . 45 . . . 6177 1 551 . 1 1 80 80 THR CG2 C 13 21.700 0.75 . 1 . . . . 45 . . . 6177 1 552 . 1 1 80 80 THR HG21 H 1 1.160 0.03 . 1 . . . . 45 . . . 6177 1 553 . 1 1 80 80 THR HG22 H 1 1.160 0.03 . 1 . . . . 45 . . . 6177 1 554 . 1 1 80 80 THR HG23 H 1 1.160 0.03 . 1 . . . . 45 . . . 6177 1 555 . 1 1 80 80 THR C C 13 174.430 0.75 . 1 . . . . 45 . . . 6177 1 556 . 1 1 81 81 LYS N N 15 126.037 0.5 . 1 . . . . 46 . . . 6177 1 557 . 1 1 81 81 LYS H H 1 8.432 0.03 . 1 . . . . 46 . . . 6177 1 558 . 1 1 81 81 LYS CA C 13 56.350 0.75 . 1 . . . . 46 . . . 6177 1 559 . 1 1 81 81 LYS HA H 1 4.590 0.03 . 1 . . . . 46 . . . 6177 1 560 . 1 1 81 81 LYS CB C 13 36.090 0.75 . 1 . . . . 46 . . . 6177 1 561 . 1 1 81 81 LYS HB3 H 1 1.830 0.03 . 1 . . . . 46 . . . 6177 1 562 . 1 1 81 81 LYS HB2 H 1 1.830 0.03 . 1 . . . . 46 . . . 6177 1 563 . 1 1 81 81 LYS CG C 13 25.700 0.75 . 1 . . . . 46 . . . 6177 1 564 . 1 1 81 81 LYS HG3 H 1 1.450 0.03 . 2 . . . . 46 . . . 6177 1 565 . 1 1 81 81 LYS HG2 H 1 1.420 0.03 . 2 . . . . 46 . . . 6177 1 566 . 1 1 81 81 LYS CD C 13 30.000 0.75 . 1 . . . . 46 . . . 6177 1 567 . 1 1 81 81 LYS HD3 H 1 1.740 0.03 . 2 . . . . 46 . . . 6177 1 568 . 1 1 81 81 LYS HD2 H 1 1.690 0.03 . 2 . . . . 46 . . . 6177 1 569 . 1 1 81 81 LYS CE C 13 42.400 0.75 . 1 . . . . 46 . . . 6177 1 570 . 1 1 81 81 LYS HE3 H 1 2.950 0.03 . 1 . . . . 46 . . . 6177 1 571 . 1 1 81 81 LYS HE2 H 1 2.950 0.03 . 1 . . . . 46 . . . 6177 1 572 . 1 1 81 81 LYS C C 13 176.130 0.75 . 1 . . . . 46 . . . 6177 1 573 . 1 1 82 82 ASN CA C 13 54.900 0.75 . 1 . . . . 47 . . . 6177 1 574 . 1 1 82 82 ASN HA H 1 4.380 0.03 . 1 . . . . 47 . . . 6177 1 575 . 1 1 82 82 ASN CB C 13 37.660 0.75 . 1 . . . . 47 . . . 6177 1 576 . 1 1 82 82 ASN HB3 H 1 3.060 0.03 . 2 . . . . 47 . . . 6177 1 577 . 1 1 82 82 ASN HB2 H 1 2.820 0.03 . 2 . . . . 47 . . . 6177 1 578 . 1 1 82 82 ASN C C 13 174.660 0.75 . 1 . . . . 47 . . . 6177 1 579 . 1 1 83 83 ASN N N 15 110.158 0.5 . 1 . . . . 48 . . . 6177 1 580 . 1 1 83 83 ASN H H 1 8.869 0.03 . 1 . . . . 48 . . . 6177 1 581 . 1 1 83 83 ASN CA C 13 54.900 0.75 . 1 . . . . 48 . . . 6177 1 582 . 1 1 83 83 ASN HA H 1 4.250 0.03 . 1 . . . . 48 . . . 6177 1 583 . 1 1 83 83 ASN CB C 13 38.540 0.75 . 1 . . . . 48 . . . 6177 1 584 . 1 1 83 83 ASN HB3 H 1 3.140 0.03 . 2 . . . . 48 . . . 6177 1 585 . 1 1 83 83 ASN HB2 H 1 2.960 0.03 . 2 . . . . 48 . . . 6177 1 586 . 1 1 83 83 ASN ND2 N 15 112.950 0.5 . 1 . . . . 48 . . . 6177 1 587 . 1 1 83 83 ASN HD21 H 1 6.900 0.03 . 2 . . . . 48 . . . 6177 1 588 . 1 1 83 83 ASN HD22 H 1 7.560 0.03 . 2 . . . . 48 . . . 6177 1 589 . 1 1 83 83 ASN C C 13 173.880 0.75 . 1 . . . . 48 . . . 6177 1 590 . 1 1 84 84 GLN N N 15 117.967 0.5 . 1 . . . . 49 . . . 6177 1 591 . 1 1 84 84 GLN H H 1 7.850 0.03 . 1 . . . . 49 . . . 6177 1 592 . 1 1 84 84 GLN CA C 13 55.250 0.75 . 1 . . . . 49 . . . 6177 1 593 . 1 1 84 84 GLN HA H 1 4.840 0.03 . 1 . . . . 49 . . . 6177 1 594 . 1 1 84 84 GLN CB C 13 32.550 0.75 . 1 . . . . 49 . . . 6177 1 595 . 1 1 84 84 GLN HB3 H 1 2.100 0.03 . 1 . . . . 49 . . . 6177 1 596 . 1 1 84 84 GLN HB2 H 1 2.100 0.03 . 1 . . . . 49 . . . 6177 1 597 . 1 1 84 84 GLN CG C 13 34.800 0.75 . 1 . . . . 49 . . . 6177 1 598 . 1 1 84 84 GLN HG3 H 1 2.440 0.03 . 2 . . . . 49 . . . 6177 1 599 . 1 1 84 84 GLN HG2 H 1 2.330 0.03 . 2 . . . . 49 . . . 6177 1 600 . 1 1 84 84 GLN NE2 N 15 111.200 0.5 . 1 . . . . 49 . . . 6177 1 601 . 1 1 84 84 GLN HE21 H 1 6.880 0.03 . 2 . . . . 49 . . . 6177 1 602 . 1 1 84 84 GLN HE22 H 1 7.620 0.03 . 2 . . . . 49 . . . 6177 1 603 . 1 1 84 84 GLN C C 13 174.440 0.75 . 1 . . . . 49 . . . 6177 1 604 . 1 1 85 85 PHE N N 15 127.481 0.5 . 1 . . . . 50 . . . 6177 1 605 . 1 1 85 85 PHE H H 1 8.988 0.03 . 1 . . . . 50 . . . 6177 1 606 . 1 1 85 85 PHE CA C 13 59.580 0.75 . 1 . . . . 50 . . . 6177 1 607 . 1 1 85 85 PHE HA H 1 4.650 0.03 . 1 . . . . 50 . . . 6177 1 608 . 1 1 85 85 PHE CB C 13 40.776 0.75 . 1 . . . . 50 . . . 6177 1 609 . 1 1 85 85 PHE HB3 H 1 3.080 0.03 . 2 . . . . 50 . . . 6177 1 610 . 1 1 85 85 PHE HB2 H 1 3.150 0.03 . 2 . . . . 50 . . . 6177 1 611 . 1 1 85 85 PHE CD1 C 13 131.500 0.75 . 1 . . . . 50 . . . 6177 1 612 . 1 1 85 85 PHE HD1 H 1 7.120 0.03 . 1 . . . . 50 . . . 6177 1 613 . 1 1 85 85 PHE HE1 H 1 7.130 0.03 . 1 . . . . 50 . . . 6177 1 614 . 1 1 85 85 PHE HE2 H 1 7.130 0.03 . 1 . . . . 50 . . . 6177 1 615 . 1 1 85 85 PHE CD2 C 13 131.500 0.75 . 1 . . . . 50 . . . 6177 1 616 . 1 1 85 85 PHE HD2 H 1 7.120 0.03 . 1 . . . . 50 . . . 6177 1 617 . 1 1 85 85 PHE C C 13 173.530 0.75 . 1 . . . . 50 . . . 6177 1 618 . 1 1 86 86 GLN N N 15 126.251 0.5 . 1 . . . . 51 . . . 6177 1 619 . 1 1 86 86 GLN H H 1 8.154 0.03 . 1 . . . . 51 . . . 6177 1 620 . 1 1 86 86 GLN CA C 13 53.500 0.75 . 1 . . . . 51 . . . 6177 1 621 . 1 1 86 86 GLN HA H 1 5.170 0.03 . 1 . . . . 51 . . . 6177 1 622 . 1 1 86 86 GLN CB C 13 33.570 0.75 . 1 . . . . 51 . . . 6177 1 623 . 1 1 86 86 GLN HB3 H 1 1.630 0.03 . 2 . . . . 51 . . . 6177 1 624 . 1 1 86 86 GLN HB2 H 1 1.000 0.03 . 2 . . . . 51 . . . 6177 1 625 . 1 1 86 86 GLN CG C 13 34.900 0.75 . 1 . . . . 51 . . . 6177 1 626 . 1 1 86 86 GLN HG3 H 1 2.010 0.03 . 2 . . . . 51 . . . 6177 1 627 . 1 1 86 86 GLN HG2 H 1 1.980 0.03 . 2 . . . . 51 . . . 6177 1 628 . 1 1 86 86 GLN NE2 N 15 109.329 0.5 . 1 . . . . 51 . . . 6177 1 629 . 1 1 86 86 GLN HE21 H 1 6.720 0.03 . 2 . . . . 51 . . . 6177 1 630 . 1 1 86 86 GLN HE22 H 1 6.890 0.03 . 2 . . . . 51 . . . 6177 1 631 . 1 1 86 86 GLN C C 13 172.580 0.75 . 1 . . . . 51 . . . 6177 1 632 . 1 1 87 87 ALA N N 15 118.784 0.5 . 1 . . . . 52 . . . 6177 1 633 . 1 1 87 87 ALA H H 1 9.067 0.03 . 1 . . . . 52 . . . 6177 1 634 . 1 1 87 87 ALA CA C 13 49.800 0.75 . 1 . . . . 52 . . . 6177 1 635 . 1 1 87 87 ALA HA H 1 5.130 0.03 . 1 . . . . 52 . . . 6177 1 636 . 1 1 87 87 ALA CB C 13 23.720 0.75 . 1 . . . . 52 . . . 6177 1 637 . 1 1 87 87 ALA HB1 H 1 0.960 0.03 . 1 . . . . 52 . . . 6177 1 638 . 1 1 87 87 ALA HB2 H 1 0.960 0.03 . 1 . . . . 52 . . . 6177 1 639 . 1 1 87 87 ALA HB3 H 1 0.960 0.03 . 1 . . . . 52 . . . 6177 1 640 . 1 1 87 87 ALA C C 13 175.790 0.75 . 1 . . . . 52 . . . 6177 1 641 . 1 1 88 88 LEU N N 15 120.943 0.5 . 1 . . . . 53 . . . 6177 1 642 . 1 1 88 88 LEU H H 1 9.069 0.03 . 1 . . . . 53 . . . 6177 1 643 . 1 1 88 88 LEU CA C 13 53.500 0.75 . 1 . . . . 53 . . . 6177 1 644 . 1 1 88 88 LEU HA H 1 5.450 0.03 . 1 . . . . 53 . . . 6177 1 645 . 1 1 88 88 LEU CB C 13 46.100 0.75 . 1 . . . . 53 . . . 6177 1 646 . 1 1 88 88 LEU HB3 H 1 1.610 0.03 . 2 . . . . 53 . . . 6177 1 647 . 1 1 88 88 LEU HB2 H 1 1.280 0.03 . 2 . . . . 53 . . . 6177 1 648 . 1 1 88 88 LEU CG C 13 28.000 0.75 . 1 . . . . 53 . . . 6177 1 649 . 1 1 88 88 LEU HG H 1 1.730 0.03 . 1 . . . . 53 . . . 6177 1 650 . 1 1 88 88 LEU CD1 C 13 24.400 0.75 . 1 . . . . 53 . . . 6177 1 651 . 1 1 88 88 LEU HD11 H 1 1.020 0.03 . 2 . . . . 53 . . . 6177 1 652 . 1 1 88 88 LEU HD12 H 1 1.020 0.03 . 2 . . . . 53 . . . 6177 1 653 . 1 1 88 88 LEU HD13 H 1 1.020 0.03 . 2 . . . . 53 . . . 6177 1 654 . 1 1 88 88 LEU CD2 C 13 26.800 0.75 . 1 . . . . 53 . . . 6177 1 655 . 1 1 88 88 LEU HD21 H 1 0.900 0.03 . 2 . . . . 53 . . . 6177 1 656 . 1 1 88 88 LEU HD22 H 1 0.900 0.03 . 2 . . . . 53 . . . 6177 1 657 . 1 1 88 88 LEU HD23 H 1 0.900 0.03 . 2 . . . . 53 . . . 6177 1 658 . 1 1 88 88 LEU C C 13 174.810 0.75 . 1 . . . . 53 . . . 6177 1 659 . 1 1 89 89 LEU N N 15 123.916 0.5 . 1 . . . . 54 . . . 6177 1 660 . 1 1 89 89 LEU H H 1 8.551 0.03 . 1 . . . . 54 . . . 6177 1 661 . 1 1 89 89 LEU CA C 13 54.500 0.75 . 1 . . . . 54 . . . 6177 1 662 . 1 1 89 89 LEU HA H 1 4.900 0.03 . 1 . . . . 54 . . . 6177 1 663 . 1 1 89 89 LEU CB C 13 47.440 0.75 . 1 . . . . 54 . . . 6177 1 664 . 1 1 89 89 LEU HB3 H 1 1.060 0.03 . 2 . . . . 54 . . . 6177 1 665 . 1 1 89 89 LEU HB2 H 1 0.980 0.03 . 2 . . . . 54 . . . 6177 1 666 . 1 1 89 89 LEU CG C 13 27.300 0.75 . 1 . . . . 54 . . . 6177 1 667 . 1 1 89 89 LEU HG H 1 1.210 0.03 . 1 . . . . 54 . . . 6177 1 668 . 1 1 89 89 LEU CD1 C 13 25.500 0.75 . 1 . . . . 54 . . . 6177 1 669 . 1 1 89 89 LEU HD11 H 1 -0.070 0.03 . 2 . . . . 54 . . . 6177 1 670 . 1 1 89 89 LEU HD12 H 1 -0.070 0.03 . 2 . . . . 54 . . . 6177 1 671 . 1 1 89 89 LEU HD13 H 1 -0.070 0.03 . 2 . . . . 54 . . . 6177 1 672 . 1 1 89 89 LEU CD2 C 13 27.200 0.75 . 1 . . . . 54 . . . 6177 1 673 . 1 1 89 89 LEU HD21 H 1 0.080 0.03 . 2 . . . . 54 . . . 6177 1 674 . 1 1 89 89 LEU HD22 H 1 0.080 0.03 . 2 . . . . 54 . . . 6177 1 675 . 1 1 89 89 LEU HD23 H 1 0.080 0.03 . 2 . . . . 54 . . . 6177 1 676 . 1 1 89 89 LEU C C 13 173.220 0.75 . 1 . . . . 54 . . . 6177 1 677 . 1 1 90 90 GLN N N 15 126.539 0.5 . 1 . . . . 55 . . . 6177 1 678 . 1 1 90 90 GLN H H 1 8.880 0.03 . 1 . . . . 55 . . . 6177 1 679 . 1 1 90 90 GLN CA C 13 54.500 0.75 . 1 . . . . 55 . . . 6177 1 680 . 1 1 90 90 GLN HA H 1 5.050 0.03 . 1 . . . . 55 . . . 6177 1 681 . 1 1 90 90 GLN CB C 13 32.390 0.75 . 1 . . . . 55 . . . 6177 1 682 . 1 1 90 90 GLN HB3 H 1 1.840 0.03 . 2 . . . . 55 . . . 6177 1 683 . 1 1 90 90 GLN HB2 H 1 1.930 0.03 . 2 . . . . 55 . . . 6177 1 684 . 1 1 90 90 GLN CG C 13 33.500 0.75 . 1 . . . . 55 . . . 6177 1 685 . 1 1 90 90 GLN HG3 H 1 2.400 0.03 . 2 . . . . 55 . . . 6177 1 686 . 1 1 90 90 GLN HG2 H 1 2.150 0.03 . 2 . . . . 55 . . . 6177 1 687 . 1 1 90 90 GLN NE2 N 15 109.640 0.5 . 1 . . . . 55 . . . 6177 1 688 . 1 1 90 90 GLN HE21 H 1 6.970 0.03 . 2 . . . . 55 . . . 6177 1 689 . 1 1 90 90 GLN HE22 H 1 7.850 0.03 . 2 . . . . 55 . . . 6177 1 690 . 1 1 90 90 GLN C C 13 175.290 0.75 . 1 . . . . 55 . . . 6177 1 691 . 1 1 91 91 TYR N N 15 127.313 0.5 . 1 . . . . 56 . . . 6177 1 692 . 1 1 91 91 TYR H H 1 8.928 0.03 . 1 . . . . 56 . . . 6177 1 693 . 1 1 91 91 TYR CA C 13 59.100 0.75 . 1 . . . . 56 . . . 6177 1 694 . 1 1 91 91 TYR HA H 1 5.270 0.03 . 1 . . . . 56 . . . 6177 1 695 . 1 1 91 91 TYR CB C 13 42.870 0.75 . 1 . . . . 56 . . . 6177 1 696 . 1 1 91 91 TYR HB3 H 1 3.410 0.03 . 2 . . . . 56 . . . 6177 1 697 . 1 1 91 91 TYR HB2 H 1 2.910 0.03 . 2 . . . . 56 . . . 6177 1 698 . 1 1 91 91 TYR CD1 C 13 132.000 0.75 . 1 . . . . 56 . . . 6177 1 699 . 1 1 91 91 TYR HD1 H 1 6.940 0.03 . 1 . . . . 56 . . . 6177 1 700 . 1 1 91 91 TYR CE1 C 13 117.000 0.75 . 1 . . . . 56 . . . 6177 1 701 . 1 1 91 91 TYR HE1 H 1 6.590 0.03 . 1 . . . . 56 . . . 6177 1 702 . 1 1 91 91 TYR HH H 1 9.610 0.03 . 1 . . . . 56 . . . 6177 1 703 . 1 1 91 91 TYR CE2 C 13 117.000 0.75 . 1 . . . . 56 . . . 6177 1 704 . 1 1 91 91 TYR HE2 H 1 6.590 0.03 . 1 . . . . 56 . . . 6177 1 705 . 1 1 91 91 TYR CD2 C 13 132.000 0.75 . 1 . . . . 56 . . . 6177 1 706 . 1 1 91 91 TYR HD2 H 1 6.940 0.03 . 1 . . . . 56 . . . 6177 1 707 . 1 1 91 91 TYR C C 13 176.300 0.75 . 1 . . . . 56 . . . 6177 1 708 . 1 1 92 92 ALA N N 15 119.427 0.5 . 1 . . . . 57 . . . 6177 1 709 . 1 1 92 92 ALA H H 1 8.337 0.03 . 1 . . . . 57 . . . 6177 1 710 . 1 1 92 92 ALA CA C 13 54.400 0.75 . 1 . . . . 57 . . . 6177 1 711 . 1 1 92 92 ALA HA H 1 4.350 0.03 . 1 . . . . 57 . . . 6177 1 712 . 1 1 92 92 ALA CB C 13 19.196 0.75 . 1 . . . . 57 . . . 6177 1 713 . 1 1 92 92 ALA HB1 H 1 1.600 0.03 . 1 . . . . 57 . . . 6177 1 714 . 1 1 92 92 ALA HB2 H 1 1.600 0.03 . 1 . . . . 57 . . . 6177 1 715 . 1 1 92 92 ALA HB3 H 1 1.600 0.03 . 1 . . . . 57 . . . 6177 1 716 . 1 1 92 92 ALA C C 13 176.450 0.75 . 1 . . . . 57 . . . 6177 1 717 . 1 1 93 93 ASP N N 15 115.220 0.5 . 1 . . . . 58 . . . 6177 1 718 . 1 1 93 93 ASP H H 1 7.787 0.03 . 1 . . . . 58 . . . 6177 1 719 . 1 1 93 93 ASP CA C 13 50.600 0.75 . 1 . . . . 58 . . . 6177 1 720 . 1 1 93 93 ASP HA H 1 5.280 0.03 . 1 . . . . 58 . . . 6177 1 721 . 1 1 93 93 ASP CB C 13 44.840 0.75 . 1 . . . . 58 . . . 6177 1 722 . 1 1 93 93 ASP HB3 H 1 2.980 0.03 . 2 . . . . 58 . . . 6177 1 723 . 1 1 93 93 ASP HB2 H 1 2.730 0.03 . 2 . . . . 58 . . . 6177 1 724 . 1 1 94 94 PRO CA C 13 65.290 0.75 . 1 . . . . 59 . . . 6177 1 725 . 1 1 94 94 PRO HA H 1 4.210 0.03 . 1 . . . . 59 . . . 6177 1 726 . 1 1 94 94 PRO CB C 13 32.860 0.75 . 1 . . . . 59 . . . 6177 1 727 . 1 1 94 94 PRO HB3 H 1 2.040 0.03 . 2 . . . . 59 . . . 6177 1 728 . 1 1 94 94 PRO HB2 H 1 1.950 0.03 . 2 . . . . 59 . . . 6177 1 729 . 1 1 94 94 PRO CG C 13 28.200 0.75 . 1 . . . . 59 . . . 6177 1 730 . 1 1 94 94 PRO HG3 H 1 2.160 0.03 . 2 . . . . 59 . . . 6177 1 731 . 1 1 94 94 PRO HG2 H 1 1.960 0.03 . 2 . . . . 59 . . . 6177 1 732 . 1 1 94 94 PRO CD C 13 51.560 0.75 . 1 . . . . 59 . . . 6177 1 733 . 1 1 94 94 PRO HD3 H 1 3.910 0.03 . 2 . . . . 59 . . . 6177 1 734 . 1 1 94 94 PRO HD2 H 1 4.170 0.03 . 2 . . . . 59 . . . 6177 1 735 . 1 1 94 94 PRO C C 13 178.300 0.75 . 1 . . . . 59 . . . 6177 1 736 . 1 1 95 95 VAL N N 15 120.901 0.5 . 1 . . . . 60 . . . 6177 1 737 . 1 1 95 95 VAL H H 1 8.538 0.03 . 1 . . . . 60 . . . 6177 1 738 . 1 1 95 95 VAL CA C 13 66.100 0.75 . 1 . . . . 60 . . . 6177 1 739 . 1 1 95 95 VAL HA H 1 3.680 0.03 . 1 . . . . 60 . . . 6177 1 740 . 1 1 95 95 VAL CB C 13 31.520 0.75 . 1 . . . . 60 . . . 6177 1 741 . 1 1 95 95 VAL HB H 1 2.040 0.03 . 1 . . . . 60 . . . 6177 1 742 . 1 1 95 95 VAL CG2 C 13 23.500 0.75 . 1 . . . . 60 . . . 6177 1 743 . 1 1 95 95 VAL HG21 H 1 0.990 0.03 . 2 . . . . 60 . . . 6177 1 744 . 1 1 95 95 VAL HG22 H 1 0.990 0.03 . 2 . . . . 60 . . . 6177 1 745 . 1 1 95 95 VAL HG23 H 1 0.990 0.03 . 2 . . . . 60 . . . 6177 1 746 . 1 1 95 95 VAL CG1 C 13 22.000 0.75 . 1 . . . . 60 . . . 6177 1 747 . 1 1 95 95 VAL HG11 H 1 0.810 0.03 . 2 . . . . 60 . . . 6177 1 748 . 1 1 95 95 VAL HG12 H 1 0.810 0.03 . 2 . . . . 60 . . . 6177 1 749 . 1 1 95 95 VAL HG13 H 1 0.810 0.03 . 2 . . . . 60 . . . 6177 1 750 . 1 1 95 95 VAL C C 13 178.410 0.75 . 1 . . . . 60 . . . 6177 1 751 . 1 1 96 96 SER N N 15 117.098 0.5 . 1 . . . . 61 . . . 6177 1 752 . 1 1 96 96 SER H H 1 7.701 0.03 . 1 . . . . 61 . . . 6177 1 753 . 1 1 96 96 SER CA C 13 62.400 0.75 . 1 . . . . 61 . . . 6177 1 754 . 1 1 96 96 SER HA H 1 4.000 0.03 . 1 . . . . 61 . . . 6177 1 755 . 1 1 96 96 SER CB C 13 62.400 0.75 . 1 . . . . 61 . . . 6177 1 756 . 1 1 96 96 SER HB3 H 1 3.360 0.03 . 2 . . . . 61 . . . 6177 1 757 . 1 1 96 96 SER HB2 H 1 2.890 0.03 . 2 . . . . 61 . . . 6177 1 758 . 1 1 96 96 SER C C 13 174.580 0.75 . 1 . . . . 61 . . . 6177 1 759 . 1 1 97 97 ALA N N 15 120.318 0.5 . 1 . . . . 62 . . . 6177 1 760 . 1 1 97 97 ALA H H 1 6.518 0.03 . 1 . . . . 62 . . . 6177 1 761 . 1 1 97 97 ALA CA C 13 55.400 0.75 . 1 . . . . 62 . . . 6177 1 762 . 1 1 97 97 ALA HA H 1 3.970 0.03 . 1 . . . . 62 . . . 6177 1 763 . 1 1 97 97 ALA CB C 13 18.196 0.75 . 1 . . . . 62 . . . 6177 1 764 . 1 1 97 97 ALA HB1 H 1 1.760 0.03 . 1 . . . . 62 . . . 6177 1 765 . 1 1 97 97 ALA HB2 H 1 1.760 0.03 . 1 . . . . 62 . . . 6177 1 766 . 1 1 97 97 ALA HB3 H 1 1.760 0.03 . 1 . . . . 62 . . . 6177 1 767 . 1 1 97 97 ALA C C 13 178.480 0.75 . 1 . . . . 62 . . . 6177 1 768 . 1 1 98 98 GLN N N 15 117.042 0.5 . 1 . . . . 63 . . . 6177 1 769 . 1 1 98 98 GLN H H 1 7.713 0.03 . 1 . . . . 63 . . . 6177 1 770 . 1 1 98 98 GLN CA C 13 59.600 0.75 . 1 . . . . 63 . . . 6177 1 771 . 1 1 98 98 GLN HA H 1 4.230 0.03 . 1 . . . . 63 . . . 6177 1 772 . 1 1 98 98 GLN CB C 13 28.840 0.75 . 1 . . . . 63 . . . 6177 1 773 . 1 1 98 98 GLN HB3 H 1 2.290 0.03 . 1 . . . . 63 . . . 6177 1 774 . 1 1 98 98 GLN HB2 H 1 2.290 0.03 . 1 . . . . 63 . . . 6177 1 775 . 1 1 98 98 GLN CG C 13 34.124 0.75 . 1 . . . . 63 . . . 6177 1 776 . 1 1 98 98 GLN HG3 H 1 2.440 0.03 . 2 . . . . 63 . . . 6177 1 777 . 1 1 98 98 GLN HG2 H 1 2.490 0.03 . 2 . . . . 63 . . . 6177 1 778 . 1 1 98 98 GLN NE2 N 15 110.460 0.5 . 1 . . . . 63 . . . 6177 1 779 . 1 1 98 98 GLN HE21 H 1 6.750 0.03 . 2 . . . . 63 . . . 6177 1 780 . 1 1 98 98 GLN HE22 H 1 7.280 0.03 . 2 . . . . 63 . . . 6177 1 781 . 1 1 98 98 GLN C C 13 178.070 0.75 . 1 . . . . 63 . . . 6177 1 782 . 1 1 99 99 HIS N N 15 118.042 0.5 . 1 . . . . 64 . . . 6177 1 783 . 1 1 99 99 HIS H H 1 8.180 0.03 . 1 . . . . 64 . . . 6177 1 784 . 1 1 99 99 HIS CA C 13 58.200 0.75 . 1 . . . . 64 . . . 6177 1 785 . 1 1 99 99 HIS HA H 1 4.400 0.03 . 1 . . . . 64 . . . 6177 1 786 . 1 1 99 99 HIS CB C 13 30.660 0.75 . 1 . . . . 64 . . . 6177 1 787 . 1 1 99 99 HIS HB3 H 1 3.330 0.03 . 1 . . . . 64 . . . 6177 1 788 . 1 1 99 99 HIS HB2 H 1 3.330 0.03 . 1 . . . . 64 . . . 6177 1 789 . 1 1 99 99 HIS CD2 C 13 119.200 0.75 . 1 . . . . 64 . . . 6177 1 790 . 1 1 99 99 HIS HD2 H 1 7.100 0.03 . 3 . . . . 64 . . . 6177 1 791 . 1 1 99 99 HIS C C 13 177.790 0.75 . 1 . . . . 64 . . . 6177 1 792 . 1 1 100 100 ALA N N 15 122.586 0.5 . 1 . . . . 65 . . . 6177 1 793 . 1 1 100 100 ALA H H 1 8.358 0.03 . 1 . . . . 65 . . . 6177 1 794 . 1 1 100 100 ALA CA C 13 55.200 0.75 . 1 . . . . 65 . . . 6177 1 795 . 1 1 100 100 ALA HA H 1 2.480 0.03 . 1 . . . . 65 . . . 6177 1 796 . 1 1 100 100 ALA CB C 13 19.696 0.75 . 1 . . . . 65 . . . 6177 1 797 . 1 1 100 100 ALA HB1 H 1 1.470 0.03 . 1 . . . . 65 . . . 6177 1 798 . 1 1 100 100 ALA HB2 H 1 1.470 0.03 . 1 . . . . 65 . . . 6177 1 799 . 1 1 100 100 ALA HB3 H 1 1.470 0.03 . 1 . . . . 65 . . . 6177 1 800 . 1 1 100 100 ALA C C 13 178.720 0.75 . 1 . . . . 65 . . . 6177 1 801 . 1 1 101 101 LYS N N 15 117.296 0.5 . 1 . . . . 66 . . . 6177 1 802 . 1 1 101 101 LYS H H 1 8.010 0.03 . 1 . . . . 66 . . . 6177 1 803 . 1 1 101 101 LYS CA C 13 60.600 0.75 . 1 . . . . 66 . . . 6177 1 804 . 1 1 101 101 LYS HA H 1 3.590 0.03 . 1 . . . . 66 . . . 6177 1 805 . 1 1 101 101 LYS CB C 13 33.260 0.75 . 1 . . . . 66 . . . 6177 1 806 . 1 1 101 101 LYS HB3 H 1 1.860 0.03 . 2 . . . . 66 . . . 6177 1 807 . 1 1 101 101 LYS HB2 H 1 1.520 0.03 . 2 . . . . 66 . . . 6177 1 808 . 1 1 101 101 LYS CG C 13 25.500 0.75 . 1 . . . . 66 . . . 6177 1 809 . 1 1 101 101 LYS HG3 H 1 1.160 0.03 . 2 . . . . 66 . . . 6177 1 810 . 1 1 101 101 LYS HG2 H 1 0.850 0.03 . 2 . . . . 66 . . . 6177 1 811 . 1 1 101 101 LYS CD C 13 30.500 0.75 . 1 . . . . 66 . . . 6177 1 812 . 1 1 101 101 LYS HD3 H 1 1.200 0.03 . 2 . . . . 66 . . . 6177 1 813 . 1 1 101 101 LYS HD2 H 1 0.990 0.03 . 2 . . . . 66 . . . 6177 1 814 . 1 1 101 101 LYS CE C 13 44.104 0.75 . 1 . . . . 66 . . . 6177 1 815 . 1 1 101 101 LYS HE3 H 1 2.970 0.03 . 1 . . . . 66 . . . 6177 1 816 . 1 1 101 101 LYS HE2 H 1 2.970 0.03 . 1 . . . . 66 . . . 6177 1 817 . 1 1 101 101 LYS C C 13 177.990 0.75 . 1 . . . . 66 . . . 6177 1 818 . 1 1 102 102 LEU N N 15 115.890 0.5 . 1 . . . . 67 . . . 6177 1 819 . 1 1 102 102 LEU H H 1 7.819 0.03 . 1 . . . . 67 . . . 6177 1 820 . 1 1 102 102 LEU CA C 13 57.700 0.75 . 1 . . . . 67 . . . 6177 1 821 . 1 1 102 102 LEU HA H 1 4.110 0.03 . 1 . . . . 67 . . . 6177 1 822 . 1 1 102 102 LEU CB C 13 42.790 0.75 . 1 . . . . 67 . . . 6177 1 823 . 1 1 102 102 LEU HB3 H 1 1.840 0.03 . 2 . . . . 67 . . . 6177 1 824 . 1 1 102 102 LEU HB2 H 1 1.640 0.03 . 2 . . . . 67 . . . 6177 1 825 . 1 1 102 102 LEU CG C 13 27.700 0.75 . 1 . . . . 67 . . . 6177 1 826 . 1 1 102 102 LEU HG H 1 1.850 0.03 . 1 . . . . 67 . . . 6177 1 827 . 1 1 102 102 LEU CD1 C 13 23.900 0.75 . 1 . . . . 67 . . . 6177 1 828 . 1 1 102 102 LEU HD11 H 1 0.950 0.03 . 2 . . . . 67 . . . 6177 1 829 . 1 1 102 102 LEU HD12 H 1 0.950 0.03 . 2 . . . . 67 . . . 6177 1 830 . 1 1 102 102 LEU HD13 H 1 0.950 0.03 . 2 . . . . 67 . . . 6177 1 831 . 1 1 102 102 LEU CD2 C 13 25.300 0.75 . 1 . . . . 67 . . . 6177 1 832 . 1 1 102 102 LEU HD21 H 1 0.970 0.03 . 2 . . . . 67 . . . 6177 1 833 . 1 1 102 102 LEU HD22 H 1 0.970 0.03 . 2 . . . . 67 . . . 6177 1 834 . 1 1 102 102 LEU HD23 H 1 0.970 0.03 . 2 . . . . 67 . . . 6177 1 835 . 1 1 102 102 LEU C C 13 179.860 0.75 . 1 . . . . 67 . . . 6177 1 836 . 1 1 103 103 SER N N 15 111.748 0.5 . 1 . . . . 68 . . . 6177 1 837 . 1 1 103 103 SER H H 1 7.637 0.03 . 1 . . . . 68 . . . 6177 1 838 . 1 1 103 103 SER CA C 13 61.500 0.75 . 1 . . . . 68 . . . 6177 1 839 . 1 1 103 103 SER HA H 1 4.330 0.03 . 1 . . . . 68 . . . 6177 1 840 . 1 1 103 103 SER CB C 13 64.700 0.75 . 1 . . . . 68 . . . 6177 1 841 . 1 1 103 103 SER HB3 H 1 3.690 0.03 . 2 . . . . 68 . . . 6177 1 842 . 1 1 103 103 SER HB2 H 1 3.470 0.03 . 2 . . . . 68 . . . 6177 1 843 . 1 1 103 103 SER C C 13 175.700 0.75 . 1 . . . . 68 . . . 6177 1 844 . 1 1 104 104 LEU N N 15 116.621 0.5 . 1 . . . . 69 . . . 6177 1 845 . 1 1 104 104 LEU H H 1 8.051 0.03 . 1 . . . . 69 . . . 6177 1 846 . 1 1 104 104 LEU CA C 13 54.800 0.75 . 1 . . . . 69 . . . 6177 1 847 . 1 1 104 104 LEU HA H 1 4.280 0.03 . 1 . . . . 69 . . . 6177 1 848 . 1 1 104 104 LEU CB C 13 44.290 0.75 . 1 . . . . 69 . . . 6177 1 849 . 1 1 104 104 LEU HB3 H 1 1.530 0.03 . 2 . . . . 69 . . . 6177 1 850 . 1 1 104 104 LEU HB2 H 1 1.190 0.03 . 2 . . . . 69 . . . 6177 1 851 . 1 1 104 104 LEU CG C 13 26.900 0.75 . 1 . . . . 69 . . . 6177 1 852 . 1 1 104 104 LEU HG H 1 1.100 0.03 . 1 . . . . 69 . . . 6177 1 853 . 1 1 104 104 LEU CD1 C 13 22.500 0.75 . 1 . . . . 69 . . . 6177 1 854 . 1 1 104 104 LEU HD11 H 1 0.590 0.03 . 2 . . . . 69 . . . 6177 1 855 . 1 1 104 104 LEU HD12 H 1 0.590 0.03 . 2 . . . . 69 . . . 6177 1 856 . 1 1 104 104 LEU HD13 H 1 0.590 0.03 . 2 . . . . 69 . . . 6177 1 857 . 1 1 104 104 LEU CD2 C 13 27.000 0.75 . 1 . . . . 69 . . . 6177 1 858 . 1 1 104 104 LEU HD21 H 1 0.005 0.03 . 2 . . . . 69 . . . 6177 1 859 . 1 1 104 104 LEU HD22 H 1 0.005 0.03 . 2 . . . . 69 . . . 6177 1 860 . 1 1 104 104 LEU HD23 H 1 0.005 0.03 . 2 . . . . 69 . . . 6177 1 861 . 1 1 104 104 LEU C C 13 177.040 0.75 . 1 . . . . 69 . . . 6177 1 862 . 1 1 105 105 ASP N N 15 118.520 0.5 . 1 . . . . 70 . . . 6177 1 863 . 1 1 105 105 ASP H H 1 7.508 0.03 . 1 . . . . 70 . . . 6177 1 864 . 1 1 105 105 ASP CA C 13 57.800 0.75 . 1 . . . . 70 . . . 6177 1 865 . 1 1 105 105 ASP HA H 1 4.220 0.03 . 1 . . . . 70 . . . 6177 1 866 . 1 1 105 105 ASP CB C 13 42.240 0.75 . 1 . . . . 70 . . . 6177 1 867 . 1 1 105 105 ASP HB3 H 1 3.030 0.03 . 2 . . . . 70 . . . 6177 1 868 . 1 1 105 105 ASP HB2 H 1 2.710 0.03 . 2 . . . . 70 . . . 6177 1 869 . 1 1 105 105 ASP C C 13 178.030 0.75 . 1 . . . . 70 . . . 6177 1 870 . 1 1 106 106 GLY N N 15 116.356 0.5 . 1 . . . . 71 . . . 6177 1 871 . 1 1 106 106 GLY H H 1 9.186 0.03 . 1 . . . . 71 . . . 6177 1 872 . 1 1 106 106 GLY CA C 13 46.000 0.75 . 1 . . . . 71 . . . 6177 1 873 . 1 1 106 106 GLY HA3 H 1 4.210 0.03 . 2 . . . . 71 . . . 6177 1 874 . 1 1 106 106 GLY HA2 H 1 3.570 0.03 . 2 . . . . 71 . . . 6177 1 875 . 1 1 106 106 GLY C C 13 174.130 0.75 . 1 . . . . 71 . . . 6177 1 876 . 1 1 107 107 GLN N N 15 118.839 0.5 . 1 . . . . 72 . . . 6177 1 877 . 1 1 107 107 GLN H H 1 8.119 0.03 . 1 . . . . 72 . . . 6177 1 878 . 1 1 107 107 GLN CA C 13 55.330 0.75 . 1 . . . . 72 . . . 6177 1 879 . 1 1 107 107 GLN HA H 1 4.350 0.03 . 1 . . . . 72 . . . 6177 1 880 . 1 1 107 107 GLN CB C 13 29.790 0.75 . 1 . . . . 72 . . . 6177 1 881 . 1 1 107 107 GLN HB3 H 1 2.080 0.03 . 2 . . . . 72 . . . 6177 1 882 . 1 1 107 107 GLN HB2 H 1 2.110 0.03 . 2 . . . . 72 . . . 6177 1 883 . 1 1 107 107 GLN CG C 13 34.734 0.75 . 1 . . . . 72 . . . 6177 1 884 . 1 1 107 107 GLN HG3 H 1 2.450 0.03 . 2 . . . . 72 . . . 6177 1 885 . 1 1 107 107 GLN HG2 H 1 2.140 0.03 . 2 . . . . 72 . . . 6177 1 886 . 1 1 107 107 GLN NE2 N 15 113.500 0.5 . 1 . . . . 72 . . . 6177 1 887 . 1 1 107 107 GLN HE21 H 1 6.800 0.03 . 2 . . . . 72 . . . 6177 1 888 . 1 1 107 107 GLN HE22 H 1 7.420 0.03 . 2 . . . . 72 . . . 6177 1 889 . 1 1 107 107 GLN C C 13 174.860 0.75 . 1 . . . . 72 . . . 6177 1 890 . 1 1 108 108 ASN N N 15 119.634 0.5 . 1 . . . . 73 . . . 6177 1 891 . 1 1 108 108 ASN H H 1 8.467 0.03 . 1 . . . . 73 . . . 6177 1 892 . 1 1 108 108 ASN CA C 13 52.600 0.75 . 1 . . . . 73 . . . 6177 1 893 . 1 1 108 108 ASN HA H 1 5.070 0.03 . 1 . . . . 73 . . . 6177 1 894 . 1 1 108 108 ASN CB C 13 39.800 0.75 . 1 . . . . 73 . . . 6177 1 895 . 1 1 108 108 ASN HB3 H 1 3.570 0.03 . 2 . . . . 73 . . . 6177 1 896 . 1 1 108 108 ASN HB2 H 1 2.610 0.03 . 2 . . . . 73 . . . 6177 1 897 . 1 1 108 108 ASN ND2 N 15 111.600 0.5 . 1 . . . . 73 . . . 6177 1 898 . 1 1 108 108 ASN HD21 H 1 6.810 0.03 . 2 . . . . 73 . . . 6177 1 899 . 1 1 108 108 ASN HD22 H 1 7.450 0.03 . 2 . . . . 73 . . . 6177 1 900 . 1 1 108 108 ASN C C 13 177.170 0.75 . 1 . . . . 73 . . . 6177 1 901 . 1 1 109 109 ILE N N 15 121.935 0.5 . 1 . . . . 74 . . . 6177 1 902 . 1 1 109 109 ILE H H 1 8.886 0.03 . 1 . . . . 74 . . . 6177 1 903 . 1 1 109 109 ILE CA C 13 64.300 0.75 . 1 . . . . 74 . . . 6177 1 904 . 1 1 109 109 ILE HA H 1 3.710 0.03 . 1 . . . . 74 . . . 6177 1 905 . 1 1 109 109 ILE CB C 13 39.720 0.75 . 1 . . . . 74 . . . 6177 1 906 . 1 1 109 109 ILE HB H 1 1.500 0.03 . 1 . . . . 74 . . . 6177 1 907 . 1 1 109 109 ILE CG1 C 13 28.800 0.75 . 2 . . . . 74 . . . 6177 1 908 . 1 1 109 109 ILE HG13 H 1 1.850 0.03 . 1 . . . . 74 . . . 6177 1 909 . 1 1 109 109 ILE HG12 H 1 0.910 0.03 . 1 . . . . 74 . . . 6177 1 910 . 1 1 109 109 ILE CD1 C 13 14.700 0.75 . 1 . . . . 74 . . . 6177 1 911 . 1 1 109 109 ILE HD11 H 1 0.770 0.03 . 1 . . . . 74 . . . 6177 1 912 . 1 1 109 109 ILE HD12 H 1 0.770 0.03 . 1 . . . . 74 . . . 6177 1 913 . 1 1 109 109 ILE HD13 H 1 0.770 0.03 . 1 . . . . 74 . . . 6177 1 914 . 1 1 109 109 ILE CG2 C 13 17.370 0.75 . 1 . . . . 74 . . . 6177 1 915 . 1 1 109 109 ILE HG21 H 1 0.290 0.03 . 1 . . . . 74 . . . 6177 1 916 . 1 1 109 109 ILE HG22 H 1 0.290 0.03 . 1 . . . . 74 . . . 6177 1 917 . 1 1 109 109 ILE HG23 H 1 0.290 0.03 . 1 . . . . 74 . . . 6177 1 918 . 1 1 109 109 ILE C C 13 175.700 0.75 . 1 . . . . 74 . . . 6177 1 919 . 1 1 110 110 TYR N N 15 115.557 0.5 . 1 . . . . 75 . . . 6177 1 920 . 1 1 110 110 TYR H H 1 7.190 0.03 . 1 . . . . 75 . . . 6177 1 921 . 1 1 110 110 TYR CA C 13 55.880 0.75 . 1 . . . . 75 . . . 6177 1 922 . 1 1 110 110 TYR HA H 1 4.830 0.03 . 1 . . . . 75 . . . 6177 1 923 . 1 1 110 110 TYR CB C 13 41.690 0.75 . 1 . . . . 75 . . . 6177 1 924 . 1 1 110 110 TYR HB3 H 1 3.070 0.03 . 2 . . . . 75 . . . 6177 1 925 . 1 1 110 110 TYR HB2 H 1 2.640 0.03 . 2 . . . . 75 . . . 6177 1 926 . 1 1 110 110 TYR CD1 C 13 132.900 0.75 . 1 . . . . 75 . . . 6177 1 927 . 1 1 110 110 TYR HD1 H 1 7.140 0.03 . 1 . . . . 75 . . . 6177 1 928 . 1 1 110 110 TYR CE1 C 13 117.620 0.75 . 1 . . . . 75 . . . 6177 1 929 . 1 1 110 110 TYR HE1 H 1 6.710 0.03 . 1 . . . . 75 . . . 6177 1 930 . 1 1 110 110 TYR CE2 C 13 117.620 0.75 . 1 . . . . 75 . . . 6177 1 931 . 1 1 110 110 TYR HE2 H 1 6.710 0.03 . 1 . . . . 75 . . . 6177 1 932 . 1 1 110 110 TYR CD2 C 13 132.900 0.75 . 1 . . . . 75 . . . 6177 1 933 . 1 1 110 110 TYR HD2 H 1 7.140 0.03 . 1 . . . . 75 . . . 6177 1 934 . 1 1 110 110 TYR C C 13 175.010 0.75 . 1 . . . . 75 . . . 6177 1 935 . 1 1 111 111 ASN N N 15 117.350 0.5 . 1 . . . . 76 . . . 6177 1 936 . 1 1 111 111 ASN H H 1 8.458 0.03 . 1 . . . . 76 . . . 6177 1 937 . 1 1 111 111 ASN CA C 13 56.350 0.75 . 1 . . . . 76 . . . 6177 1 938 . 1 1 111 111 ASN HA H 1 4.350 0.03 . 1 . . . . 76 . . . 6177 1 939 . 1 1 111 111 ASN CB C 13 38.770 0.75 . 1 . . . . 76 . . . 6177 1 940 . 1 1 111 111 ASN HB3 H 1 2.820 0.03 . 2 . . . . 76 . . . 6177 1 941 . 1 1 111 111 ASN HB2 H 1 2.770 0.03 . 2 . . . . 76 . . . 6177 1 942 . 1 1 111 111 ASN ND2 N 15 112.910 0.5 . 1 . . . . 76 . . . 6177 1 943 . 1 1 111 111 ASN HD21 H 1 6.950 0.03 . 2 . . . . 76 . . . 6177 1 944 . 1 1 111 111 ASN HD22 H 1 7.650 0.03 . 2 . . . . 76 . . . 6177 1 945 . 1 1 111 111 ASN C C 13 175.510 0.75 . 1 . . . . 76 . . . 6177 1 946 . 1 1 112 112 ALA N N 15 123.384 0.5 . 1 . . . . 77 . . . 6177 1 947 . 1 1 112 112 ALA H H 1 8.844 0.03 . 1 . . . . 77 . . . 6177 1 948 . 1 1 112 112 ALA CA C 13 53.100 0.75 . 1 . . . . 77 . . . 6177 1 949 . 1 1 112 112 ALA HA H 1 4.140 0.03 . 1 . . . . 77 . . . 6177 1 950 . 1 1 112 112 ALA CB C 13 18.746 0.75 . 1 . . . . 77 . . . 6177 1 951 . 1 1 112 112 ALA HB1 H 1 1.470 0.03 . 1 . . . . 77 . . . 6177 1 952 . 1 1 112 112 ALA HB2 H 1 1.470 0.03 . 1 . . . . 77 . . . 6177 1 953 . 1 1 112 112 ALA HB3 H 1 1.470 0.03 . 1 . . . . 77 . . . 6177 1 954 . 1 1 112 112 ALA C C 13 176.010 0.75 . 1 . . . . 77 . . . 6177 1 955 . 1 1 113 113 CYS N N 15 112.770 0.5 . 1 . . . . 78 . . . 6177 1 956 . 1 1 113 113 CYS H H 1 7.898 0.03 . 1 . . . . 78 . . . 6177 1 957 . 1 1 113 113 CYS CA C 13 57.800 0.75 . 1 . . . . 78 . . . 6177 1 958 . 1 1 113 113 CYS HA H 1 4.830 0.03 . 1 . . . . 78 . . . 6177 1 959 . 1 1 113 113 CYS CB C 13 30.340 0.75 . 1 . . . . 78 . . . 6177 1 960 . 1 1 113 113 CYS HB3 H 1 3.380 0.03 . 2 . . . . 78 . . . 6177 1 961 . 1 1 113 113 CYS HB2 H 1 3.230 0.03 . 2 . . . . 78 . . . 6177 1 962 . 1 1 113 113 CYS C C 13 171.470 0.75 . 1 . . . . 78 . . . 6177 1 963 . 1 1 114 114 CYS N N 15 112.217 0.5 . 1 . . . . 79 . . . 6177 1 964 . 1 1 114 114 CYS H H 1 8.491 0.03 . 1 . . . . 79 . . . 6177 1 965 . 1 1 114 114 CYS CA C 13 60.100 0.75 . 1 . . . . 79 . . . 6177 1 966 . 1 1 114 114 CYS HA H 1 3.980 0.03 . 1 . . . . 79 . . . 6177 1 967 . 1 1 114 114 CYS CB C 13 26.796 0.75 . 1 . . . . 79 . . . 6177 1 968 . 1 1 114 114 CYS HB3 H 1 3.570 0.03 . 2 . . . . 79 . . . 6177 1 969 . 1 1 114 114 CYS HB2 H 1 2.620 0.03 . 2 . . . . 79 . . . 6177 1 970 . 1 1 114 114 CYS C C 13 173.430 0.75 . 1 . . . . 79 . . . 6177 1 971 . 1 1 115 115 THR N N 15 119.929 0.5 . 1 . . . . 80 . . . 6177 1 972 . 1 1 115 115 THR H H 1 8.251 0.03 . 1 . . . . 80 . . . 6177 1 973 . 1 1 115 115 THR CA C 13 63.000 0.75 . 1 . . . . 80 . . . 6177 1 974 . 1 1 115 115 THR HA H 1 4.540 0.03 . 1 . . . . 80 . . . 6177 1 975 . 1 1 115 115 THR CB C 13 70.500 0.75 . 1 . . . . 80 . . . 6177 1 976 . 1 1 115 115 THR HB H 1 3.660 0.03 . 1 . . . . 80 . . . 6177 1 977 . 1 1 115 115 THR CG2 C 13 22.700 0.75 . 1 . . . . 80 . . . 6177 1 978 . 1 1 115 115 THR HG21 H 1 0.990 0.03 . 1 . . . . 80 . . . 6177 1 979 . 1 1 115 115 THR HG22 H 1 0.990 0.03 . 1 . . . . 80 . . . 6177 1 980 . 1 1 115 115 THR HG23 H 1 0.990 0.03 . 1 . . . . 80 . . . 6177 1 981 . 1 1 115 115 THR C C 13 174.600 0.75 . 1 . . . . 80 . . . 6177 1 982 . 1 1 116 116 LEU N N 15 127.117 0.5 . 1 . . . . 81 . . . 6177 1 983 . 1 1 116 116 LEU H H 1 8.913 0.03 . 1 . . . . 81 . . . 6177 1 984 . 1 1 116 116 LEU CA C 13 55.880 0.75 . 1 . . . . 81 . . . 6177 1 985 . 1 1 116 116 LEU HA H 1 4.600 0.03 . 1 . . . . 81 . . . 6177 1 986 . 1 1 116 116 LEU CB C 13 43.696 0.75 . 1 . . . . 81 . . . 6177 1 987 . 1 1 116 116 LEU HB3 H 1 2.430 0.03 . 2 . . . . 81 . . . 6177 1 988 . 1 1 116 116 LEU HB2 H 1 1.120 0.03 . 2 . . . . 81 . . . 6177 1 989 . 1 1 116 116 LEU CG C 13 26.700 0.75 . 1 . . . . 81 . . . 6177 1 990 . 1 1 116 116 LEU HG H 1 1.950 0.03 . 1 . . . . 81 . . . 6177 1 991 . 1 1 116 116 LEU CD1 C 13 25.500 0.75 . 1 . . . . 81 . . . 6177 1 992 . 1 1 116 116 LEU HD11 H 1 0.910 0.03 . 1 . . . . 81 . . . 6177 1 993 . 1 1 116 116 LEU HD12 H 1 0.910 0.03 . 1 . . . . 81 . . . 6177 1 994 . 1 1 116 116 LEU HD13 H 1 0.910 0.03 . 1 . . . . 81 . . . 6177 1 995 . 1 1 116 116 LEU CD2 C 13 27.200 0.75 . 1 . . . . 81 . . . 6177 1 996 . 1 1 116 116 LEU HD21 H 1 0.910 0.03 . 1 . . . . 81 . . . 6177 1 997 . 1 1 116 116 LEU HD22 H 1 0.910 0.03 . 1 . . . . 81 . . . 6177 1 998 . 1 1 116 116 LEU HD23 H 1 0.910 0.03 . 1 . . . . 81 . . . 6177 1 999 . 1 1 116 116 LEU C C 13 176.620 0.75 . 1 . . . . 81 . . . 6177 1 1000 . 1 1 117 117 ARG N N 15 122.969 0.5 . 1 . . . . 82 . . . 6177 1 1001 . 1 1 117 117 ARG H H 1 9.043 0.03 . 1 . . . . 82 . . . 6177 1 1002 . 1 1 117 117 ARG CA C 13 54.000 0.75 . 1 . . . . 82 . . . 6177 1 1003 . 1 1 117 117 ARG HA H 1 5.040 0.03 . 1 . . . . 82 . . . 6177 1 1004 . 1 1 117 117 ARG CB C 13 30.890 0.75 . 1 . . . . 82 . . . 6177 1 1005 . 1 1 117 117 ARG HB3 H 1 1.980 0.03 . 2 . . . . 82 . . . 6177 1 1006 . 1 1 117 117 ARG HB2 H 1 1.860 0.03 . 2 . . . . 82 . . . 6177 1 1007 . 1 1 117 117 ARG CG C 13 26.500 0.75 . 1 . . . . 82 . . . 6177 1 1008 . 1 1 117 117 ARG HG3 H 1 1.670 0.03 . 2 . . . . 82 . . . 6177 1 1009 . 1 1 117 117 ARG HG2 H 1 1.510 0.03 . 2 . . . . 82 . . . 6177 1 1010 . 1 1 117 117 ARG CD C 13 44.634 0.75 . 1 . . . . 82 . . . 6177 1 1011 . 1 1 117 117 ARG HD3 H 1 3.290 0.03 . 2 . . . . 82 . . . 6177 1 1012 . 1 1 117 117 ARG HD2 H 1 3.090 0.03 . 2 . . . . 82 . . . 6177 1 1013 . 1 1 117 117 ARG NE N 15 85.700 0.5 . 1 . . . . 82 . . . 6177 1 1014 . 1 1 117 117 ARG HE H 1 7.480 0.03 . 1 . . . . 82 . . . 6177 1 1015 . 1 1 117 117 ARG C C 13 176.440 0.75 . 1 . . . . 82 . . . 6177 1 1016 . 1 1 118 118 ILE N N 15 124.888 0.5 . 1 . . . . 83 . . . 6177 1 1017 . 1 1 118 118 ILE H H 1 8.913 0.03 . 1 . . . . 83 . . . 6177 1 1018 . 1 1 118 118 ILE CA C 13 60.600 0.75 . 1 . . . . 83 . . . 6177 1 1019 . 1 1 118 118 ILE HA H 1 4.920 0.03 . 1 . . . . 83 . . . 6177 1 1020 . 1 1 118 118 ILE CB C 13 42.720 0.75 . 1 . . . . 83 . . . 6177 1 1021 . 1 1 118 118 ILE HB H 1 1.470 0.03 . 1 . . . . 83 . . . 6177 1 1022 . 1 1 118 118 ILE CG1 C 13 28.600 0.75 . 2 . . . . 83 . . . 6177 1 1023 . 1 1 118 118 ILE HG13 H 1 1.750 0.03 . 1 . . . . 83 . . . 6177 1 1024 . 1 1 118 118 ILE HG12 H 1 1.010 0.03 . 1 . . . . 83 . . . 6177 1 1025 . 1 1 118 118 ILE CD1 C 13 16.100 0.75 . 1 . . . . 83 . . . 6177 1 1026 . 1 1 118 118 ILE HD11 H 1 0.960 0.03 . 1 . . . . 83 . . . 6177 1 1027 . 1 1 118 118 ILE HD12 H 1 0.960 0.03 . 1 . . . . 83 . . . 6177 1 1028 . 1 1 118 118 ILE HD13 H 1 0.960 0.03 . 1 . . . . 83 . . . 6177 1 1029 . 1 1 118 118 ILE CG2 C 13 20.700 0.75 . 1 . . . . 83 . . . 6177 1 1030 . 1 1 118 118 ILE HG21 H 1 0.760 0.03 . 1 . . . . 83 . . . 6177 1 1031 . 1 1 118 118 ILE HG22 H 1 0.760 0.03 . 1 . . . . 83 . . . 6177 1 1032 . 1 1 118 118 ILE HG23 H 1 0.760 0.03 . 1 . . . . 83 . . . 6177 1 1033 . 1 1 118 118 ILE C C 13 173.400 0.75 . 1 . . . . 83 . . . 6177 1 1034 . 1 1 119 119 ASP N N 15 125.846 0.5 . 1 . . . . 84 . . . 6177 1 1035 . 1 1 119 119 ASP H H 1 8.930 0.03 . 1 . . . . 84 . . . 6177 1 1036 . 1 1 119 119 ASP CA C 13 52.650 0.75 . 1 . . . . 84 . . . 6177 1 1037 . 1 1 119 119 ASP HA H 1 4.640 0.03 . 1 . . . . 84 . . . 6177 1 1038 . 1 1 119 119 ASP CB C 13 45.320 0.75 . 1 . . . . 84 . . . 6177 1 1039 . 1 1 119 119 ASP HB3 H 1 2.690 0.03 . 2 . . . . 84 . . . 6177 1 1040 . 1 1 119 119 ASP HB2 H 1 2.550 0.03 . 2 . . . . 84 . . . 6177 1 1041 . 1 1 119 119 ASP C C 13 174.780 0.75 . 1 . . . . 84 . . . 6177 1 1042 . 1 1 120 120 PHE N N 15 119.070 0.5 . 1 . . . . 85 . . . 6177 1 1043 . 1 1 120 120 PHE H H 1 8.846 0.03 . 1 . . . . 85 . . . 6177 1 1044 . 1 1 120 120 PHE CA C 13 59.200 0.75 . 1 . . . . 85 . . . 6177 1 1045 . 1 1 120 120 PHE HA H 1 4.760 0.03 . 1 . . . . 85 . . . 6177 1 1046 . 1 1 120 120 PHE CB C 13 40.510 0.75 . 1 . . . . 85 . . . 6177 1 1047 . 1 1 120 120 PHE HB3 H 1 3.230 0.03 . 2 . . . . 85 . . . 6177 1 1048 . 1 1 120 120 PHE HB2 H 1 2.860 0.03 . 2 . . . . 85 . . . 6177 1 1049 . 1 1 120 120 PHE CD1 C 13 132.100 0.75 . 1 . . . . 85 . . . 6177 1 1050 . 1 1 120 120 PHE HD1 H 1 7.450 0.03 . 1 . . . . 85 . . . 6177 1 1051 . 1 1 120 120 PHE CE1 C 13 131.000 0.75 . 1 . . . . 85 . . . 6177 1 1052 . 1 1 120 120 PHE HE1 H 1 7.340 0.03 . 1 . . . . 85 . . . 6177 1 1053 . 1 1 120 120 PHE CZ C 13 128.900 0.75 . 1 . . . . 85 . . . 6177 1 1054 . 1 1 120 120 PHE HZ H 1 7.270 0.03 . 1 . . . . 85 . . . 6177 1 1055 . 1 1 120 120 PHE CE2 C 13 131.000 0.75 . 1 . . . . 85 . . . 6177 1 1056 . 1 1 120 120 PHE HE2 H 1 7.340 0.03 . 1 . . . . 85 . . . 6177 1 1057 . 1 1 120 120 PHE CD2 C 13 132.100 0.75 . 1 . . . . 85 . . . 6177 1 1058 . 1 1 120 120 PHE HD2 H 1 7.450 0.03 . 1 . . . . 85 . . . 6177 1 1059 . 1 1 120 120 PHE C C 13 176.410 0.75 . 1 . . . . 85 . . . 6177 1 1060 . 1 1 121 121 SER N N 15 116.761 0.5 . 1 . . . . 86 . . . 6177 1 1061 . 1 1 121 121 SER H H 1 8.626 0.03 . 1 . . . . 86 . . . 6177 1 1062 . 1 1 121 121 SER CA C 13 57.690 0.75 . 1 . . . . 86 . . . 6177 1 1063 . 1 1 121 121 SER HA H 1 4.540 0.03 . 1 . . . . 86 . . . 6177 1 1064 . 1 1 121 121 SER CB C 13 64.700 0.75 . 1 . . . . 86 . . . 6177 1 1065 . 1 1 121 121 SER HB3 H 1 3.620 0.03 . 1 . . . . 86 . . . 6177 1 1066 . 1 1 121 121 SER HB2 H 1 3.620 0.03 . 1 . . . . 86 . . . 6177 1 1067 . 1 1 121 121 SER C C 13 175.100 0.75 . 1 . . . . 86 . . . 6177 1 1068 . 1 1 122 122 LYS N N 15 124.350 0.5 . 1 . . . . 87 . . . 6177 1 1069 . 1 1 122 122 LYS H H 1 8.400 0.03 . 1 . . . . 87 . . . 6177 1 1070 . 1 1 122 122 LYS CA C 13 58.030 0.75 . 1 . . . . 87 . . . 6177 1 1071 . 1 1 122 122 LYS HA H 1 4.260 0.03 . 1 . . . . 87 . . . 6177 1 1072 . 1 1 122 122 LYS CB C 13 32.790 0.75 . 1 . . . . 87 . . . 6177 1 1073 . 1 1 122 122 LYS HB3 H 1 1.930 0.03 . 2 . . . . 87 . . . 6177 1 1074 . 1 1 122 122 LYS HB2 H 1 1.810 0.03 . 2 . . . . 87 . . . 6177 1 1075 . 1 1 122 122 LYS CG C 13 25.900 0.75 . 1 . . . . 87 . . . 6177 1 1076 . 1 1 122 122 LYS HG3 H 1 1.540 0.03 . 1 . . . . 87 . . . 6177 1 1077 . 1 1 122 122 LYS HG2 H 1 1.540 0.03 . 1 . . . . 87 . . . 6177 1 1078 . 1 1 122 122 LYS CD C 13 29.600 0.75 . 1 . . . . 87 . . . 6177 1 1079 . 1 1 122 122 LYS HD3 H 1 1.710 0.03 . 1 . . . . 87 . . . 6177 1 1080 . 1 1 122 122 LYS HD2 H 1 1.710 0.03 . 1 . . . . 87 . . . 6177 1 1081 . 1 1 122 122 LYS CE C 13 42.500 0.75 . 1 . . . . 87 . . . 6177 1 1082 . 1 1 122 122 LYS HE3 H 1 3.030 0.03 . 1 . . . . 87 . . . 6177 1 1083 . 1 1 122 122 LYS HE2 H 1 3.030 0.03 . 1 . . . . 87 . . . 6177 1 1084 . 1 1 122 122 LYS C C 13 178.300 0.75 . 1 . . . . 87 . . . 6177 1 1085 . 1 1 123 123 LEU N N 15 121.200 0.5 . 1 . . . . 88 . . . 6177 1 1086 . 1 1 123 123 LEU H H 1 8.440 0.03 . 1 . . . . 88 . . . 6177 1 1087 . 1 1 123 123 LEU CA C 13 55.500 0.75 . 1 . . . . 88 . . . 6177 1 1088 . 1 1 123 123 LEU HA H 1 4.320 0.03 . 1 . . . . 88 . . . 6177 1 1089 . 1 1 123 123 LEU CB C 13 42.790 0.75 . 1 . . . . 88 . . . 6177 1 1090 . 1 1 123 123 LEU HB3 H 1 1.670 0.03 . 2 . . . . 88 . . . 6177 1 1091 . 1 1 123 123 LEU HB2 H 1 1.460 0.03 . 2 . . . . 88 . . . 6177 1 1092 . 1 1 123 123 LEU CG C 13 27.700 0.75 . 1 . . . . 88 . . . 6177 1 1093 . 1 1 123 123 LEU HG H 1 1.650 0.03 . 1 . . . . 88 . . . 6177 1 1094 . 1 1 123 123 LEU CD1 C 13 23.500 0.75 . 1 . . . . 88 . . . 6177 1 1095 . 1 1 123 123 LEU HD11 H 1 0.880 0.03 . 1 . . . . 88 . . . 6177 1 1096 . 1 1 123 123 LEU HD12 H 1 0.880 0.03 . 1 . . . . 88 . . . 6177 1 1097 . 1 1 123 123 LEU HD13 H 1 0.880 0.03 . 1 . . . . 88 . . . 6177 1 1098 . 1 1 123 123 LEU CD2 C 13 26.200 0.75 . 1 . . . . 88 . . . 6177 1 1099 . 1 1 123 123 LEU HD21 H 1 0.880 0.03 . 1 . . . . 88 . . . 6177 1 1100 . 1 1 123 123 LEU HD22 H 1 0.880 0.03 . 1 . . . . 88 . . . 6177 1 1101 . 1 1 123 123 LEU HD23 H 1 0.880 0.03 . 1 . . . . 88 . . . 6177 1 1102 . 1 1 123 123 LEU C C 13 177.000 0.75 . 1 . . . . 88 . . . 6177 1 1103 . 1 1 124 124 THR N N 15 108.237 0.5 . 1 . . . . 89 . . . 6177 1 1104 . 1 1 124 124 THR H H 1 8.353 0.03 . 1 . . . . 89 . . . 6177 1 1105 . 1 1 124 124 THR CA C 13 62.000 0.75 . 1 . . . . 89 . . . 6177 1 1106 . 1 1 124 124 THR HA H 1 4.430 0.03 . 1 . . . . 89 . . . 6177 1 1107 . 1 1 124 124 THR CB C 13 69.830 0.75 . 1 . . . . 89 . . . 6177 1 1108 . 1 1 124 124 THR HB H 1 4.430 0.03 . 1 . . . . 89 . . . 6177 1 1109 . 1 1 124 124 THR CG2 C 13 22.444 0.75 . 1 . . . . 89 . . . 6177 1 1110 . 1 1 124 124 THR HG21 H 1 1.270 0.03 . 1 . . . . 89 . . . 6177 1 1111 . 1 1 124 124 THR HG22 H 1 1.270 0.03 . 1 . . . . 89 . . . 6177 1 1112 . 1 1 124 124 THR HG23 H 1 1.270 0.03 . 1 . . . . 89 . . . 6177 1 1113 . 1 1 124 124 THR C C 13 173.930 0.75 . 1 . . . . 89 . . . 6177 1 1114 . 1 1 125 125 SER N N 15 112.230 0.5 . 1 . . . . 90 . . . 6177 1 1115 . 1 1 125 125 SER H H 1 7.380 0.03 . 1 . . . . 90 . . . 6177 1 1116 . 1 1 125 125 SER CA C 13 57.300 0.75 . 1 . . . . 90 . . . 6177 1 1117 . 1 1 125 125 SER HA H 1 4.110 0.03 . 1 . . . . 90 . . . 6177 1 1118 . 1 1 125 125 SER CB C 13 65.100 0.75 . 1 . . . . 90 . . . 6177 1 1119 . 1 1 125 125 SER HB3 H 1 3.740 0.03 . 1 . . . . 90 . . . 6177 1 1120 . 1 1 125 125 SER HB2 H 1 3.740 0.03 . 1 . . . . 90 . . . 6177 1 1121 . 1 1 125 125 SER C C 13 172.230 0.75 . 1 . . . . 90 . . . 6177 1 1122 . 1 1 126 126 LEU N N 15 120.316 0.5 . 1 . . . . 91 . . . 6177 1 1123 . 1 1 126 126 LEU H H 1 8.064 0.03 . 1 . . . . 91 . . . 6177 1 1124 . 1 1 126 126 LEU CA C 13 53.510 0.75 . 1 . . . . 91 . . . 6177 1 1125 . 1 1 126 126 LEU HA H 1 4.680 0.03 . 1 . . . . 91 . . . 6177 1 1126 . 1 1 126 126 LEU CB C 13 44.530 0.75 . 1 . . . . 91 . . . 6177 1 1127 . 1 1 126 126 LEU HB3 H 1 1.640 0.03 . 2 . . . . 91 . . . 6177 1 1128 . 1 1 126 126 LEU HB2 H 1 1.180 0.03 . 2 . . . . 91 . . . 6177 1 1129 . 1 1 126 126 LEU CG C 13 27.200 0.75 . 1 . . . . 91 . . . 6177 1 1130 . 1 1 126 126 LEU HG H 1 1.540 0.03 . 1 . . . . 91 . . . 6177 1 1131 . 1 1 126 126 LEU CD1 C 13 23.900 0.75 . 1 . . . . 91 . . . 6177 1 1132 . 1 1 126 126 LEU HD11 H 1 0.810 0.03 . 2 . . . . 91 . . . 6177 1 1133 . 1 1 126 126 LEU HD12 H 1 0.810 0.03 . 2 . . . . 91 . . . 6177 1 1134 . 1 1 126 126 LEU HD13 H 1 0.810 0.03 . 2 . . . . 91 . . . 6177 1 1135 . 1 1 126 126 LEU CD2 C 13 26.300 0.75 . 1 . . . . 91 . . . 6177 1 1136 . 1 1 126 126 LEU HD21 H 1 0.660 0.03 . 2 . . . . 91 . . . 6177 1 1137 . 1 1 126 126 LEU HD22 H 1 0.660 0.03 . 2 . . . . 91 . . . 6177 1 1138 . 1 1 126 126 LEU HD23 H 1 0.660 0.03 . 2 . . . . 91 . . . 6177 1 1139 . 1 1 127 127 ASN CA C 13 52.100 0.75 . 1 . . . . 92 . . . 6177 1 1140 . 1 1 127 127 ASN HA H 1 4.870 0.03 . 1 . . . . 92 . . . 6177 1 1141 . 1 1 127 127 ASN CB C 13 40.000 0.75 . 1 . . . . 92 . . . 6177 1 1142 . 1 1 127 127 ASN HB3 H 1 2.710 0.03 . 2 . . . . 92 . . . 6177 1 1143 . 1 1 127 127 ASN HB2 H 1 2.590 0.03 . 2 . . . . 92 . . . 6177 1 1144 . 1 1 128 128 VAL N N 15 124.800 0.5 . 1 . . . . 93 . . . 6177 1 1145 . 1 1 128 128 VAL H H 1 8.130 0.03 . 1 . . . . 93 . . . 6177 1 1146 . 1 1 128 128 VAL CA C 13 62.500 0.75 . 1 . . . . 93 . . . 6177 1 1147 . 1 1 128 128 VAL HA H 1 3.960 0.03 . 1 . . . . 93 . . . 6177 1 1148 . 1 1 128 128 VAL CB C 13 34.160 0.75 . 1 . . . . 93 . . . 6177 1 1149 . 1 1 128 128 VAL HB H 1 1.760 0.03 . 1 . . . . 93 . . . 6177 1 1150 . 1 1 128 128 VAL CG2 C 13 23.204 0.75 . 1 . . . . 93 . . . 6177 1 1151 . 1 1 128 128 VAL HG21 H 1 0.780 0.03 . 1 . . . . 93 . . . 6177 1 1152 . 1 1 128 128 VAL HG22 H 1 0.780 0.03 . 1 . . . . 93 . . . 6177 1 1153 . 1 1 128 128 VAL HG23 H 1 0.780 0.03 . 1 . . . . 93 . . . 6177 1 1154 . 1 1 128 128 VAL CG1 C 13 23.204 0.75 . 1 . . . . 93 . . . 6177 1 1155 . 1 1 128 128 VAL HG11 H 1 0.780 0.03 . 1 . . . . 93 . . . 6177 1 1156 . 1 1 128 128 VAL HG12 H 1 0.780 0.03 . 1 . . . . 93 . . . 6177 1 1157 . 1 1 128 128 VAL HG13 H 1 0.780 0.03 . 1 . . . . 93 . . . 6177 1 1158 . 1 1 128 128 VAL C C 13 174.700 0.75 . 1 . . . . 93 . . . 6177 1 1159 . 1 1 129 129 LYS N N 15 126.879 0.5 . 1 . . . . 94 . . . 6177 1 1160 . 1 1 129 129 LYS H H 1 8.399 0.03 . 1 . . . . 94 . . . 6177 1 1161 . 1 1 129 129 LYS CA C 13 57.300 0.75 . 1 . . . . 94 . . . 6177 1 1162 . 1 1 129 129 LYS HA H 1 4.050 0.03 . 1 . . . . 94 . . . 6177 1 1163 . 1 1 129 129 LYS CB C 13 34.600 0.75 . 1 . . . . 94 . . . 6177 1 1164 . 1 1 129 129 LYS HB3 H 1 1.100 0.03 . 2 . . . . 94 . . . 6177 1 1165 . 1 1 129 129 LYS HB2 H 1 1.150 0.03 . 2 . . . . 94 . . . 6177 1 1166 . 1 1 129 129 LYS CG C 13 25.500 0.75 . 1 . . . . 94 . . . 6177 1 1167 . 1 1 129 129 LYS HG3 H 1 1.040 0.03 . 2 . . . . 94 . . . 6177 1 1168 . 1 1 129 129 LYS HG2 H 1 0.860 0.03 . 2 . . . . 94 . . . 6177 1 1169 . 1 1 129 129 LYS CD C 13 30.100 0.75 . 1 . . . . 94 . . . 6177 1 1170 . 1 1 129 129 LYS HD3 H 1 1.470 0.03 . 1 . . . . 94 . . . 6177 1 1171 . 1 1 129 129 LYS HD2 H 1 1.470 0.03 . 1 . . . . 94 . . . 6177 1 1172 . 1 1 129 129 LYS CE C 13 42.800 0.75 . 1 . . . . 94 . . . 6177 1 1173 . 1 1 129 129 LYS HE3 H 1 2.860 0.03 . 1 . . . . 94 . . . 6177 1 1174 . 1 1 129 129 LYS HE2 H 1 2.860 0.03 . 1 . . . . 94 . . . 6177 1 1175 . 1 1 129 129 LYS C C 13 174.470 0.75 . 1 . . . . 94 . . . 6177 1 1176 . 1 1 130 130 TYR N N 15 114.085 0.5 . 1 . . . . 95 . . . 6177 1 1177 . 1 1 130 130 TYR H H 1 7.142 0.03 . 1 . . . . 95 . . . 6177 1 1178 . 1 1 130 130 TYR CA C 13 55.000 0.75 . 1 . . . . 95 . . . 6177 1 1179 . 1 1 130 130 TYR HA H 1 5.140 0.03 . 1 . . . . 95 . . . 6177 1 1180 . 1 1 130 130 TYR CB C 13 43.190 0.75 . 1 . . . . 95 . . . 6177 1 1181 . 1 1 130 130 TYR HB3 H 1 2.900 0.03 . 2 . . . . 95 . . . 6177 1 1182 . 1 1 130 130 TYR HB2 H 1 2.310 0.03 . 2 . . . . 95 . . . 6177 1 1183 . 1 1 130 130 TYR CD1 C 13 132.600 0.75 . 1 . . . . 95 . . . 6177 1 1184 . 1 1 130 130 TYR HD1 H 1 6.970 0.03 . 1 . . . . 95 . . . 6177 1 1185 . 1 1 130 130 TYR CE1 C 13 116.900 0.75 . 1 . . . . 95 . . . 6177 1 1186 . 1 1 130 130 TYR HE1 H 1 6.710 0.03 . 1 . . . . 95 . . . 6177 1 1187 . 1 1 130 130 TYR CE2 C 13 116.900 0.75 . 1 . . . . 95 . . . 6177 1 1188 . 1 1 130 130 TYR HE2 H 1 6.710 0.03 . 1 . . . . 95 . . . 6177 1 1189 . 1 1 130 130 TYR CD2 C 13 132.600 0.75 . 1 . . . . 95 . . . 6177 1 1190 . 1 1 130 130 TYR HD2 H 1 6.970 0.03 . 1 . . . . 95 . . . 6177 1 1191 . 1 1 130 130 TYR C C 13 173.960 0.75 . 1 . . . . 95 . . . 6177 1 1192 . 1 1 131 131 ASN N N 15 119.706 0.5 . 1 . . . . 96 . . . 6177 1 1193 . 1 1 131 131 ASN H H 1 7.840 0.03 . 1 . . . . 96 . . . 6177 1 1194 . 1 1 131 131 ASN CA C 13 51.230 0.75 . 1 . . . . 96 . . . 6177 1 1195 . 1 1 131 131 ASN HA H 1 5.490 0.03 . 1 . . . . 96 . . . 6177 1 1196 . 1 1 131 131 ASN CB C 13 39.640 0.75 . 1 . . . . 96 . . . 6177 1 1197 . 1 1 131 131 ASN HB3 H 1 2.640 0.03 . 2 . . . . 96 . . . 6177 1 1198 . 1 1 131 131 ASN HB2 H 1 2.500 0.03 . 2 . . . . 96 . . . 6177 1 1199 . 1 1 131 131 ASN ND2 N 15 111.800 0.5 . 1 . . . . 96 . . . 6177 1 1200 . 1 1 131 131 ASN HD21 H 1 6.840 0.03 . 2 . . . . 96 . . . 6177 1 1201 . 1 1 131 131 ASN HD22 H 1 7.240 0.03 . 2 . . . . 96 . . . 6177 1 1202 . 1 1 131 131 ASN C C 13 174.570 0.75 . 1 . . . . 96 . . . 6177 1 1203 . 1 1 132 132 ASN N N 15 123.108 0.5 . 1 . . . . 97 . . . 6177 1 1204 . 1 1 132 132 ASN H H 1 9.456 0.03 . 1 . . . . 97 . . . 6177 1 1205 . 1 1 132 132 ASN CA C 13 52.700 0.75 . 1 . . . . 97 . . . 6177 1 1206 . 1 1 132 132 ASN HA H 1 4.790 0.03 . 1 . . . . 97 . . . 6177 1 1207 . 1 1 132 132 ASN CB C 13 37.990 0.75 . 1 . . . . 97 . . . 6177 1 1208 . 1 1 132 132 ASN HB3 H 1 3.290 0.03 . 2 . . . . 97 . . . 6177 1 1209 . 1 1 132 132 ASN HB2 H 1 3.380 0.03 . 2 . . . . 97 . . . 6177 1 1210 . 1 1 132 132 ASN ND2 N 15 112.100 0.5 . 1 . . . . 97 . . . 6177 1 1211 . 1 1 132 132 ASN HD21 H 1 6.880 0.03 . 2 . . . . 97 . . . 6177 1 1212 . 1 1 132 132 ASN HD22 H 1 7.490 0.03 . 2 . . . . 97 . . . 6177 1 1213 . 1 1 132 132 ASN C C 13 174.320 0.75 . 1 . . . . 97 . . . 6177 1 1214 . 1 1 133 133 ASP N N 15 115.160 0.5 . 1 . . . . 98 . . . 6177 1 1215 . 1 1 133 133 ASP H H 1 8.735 0.03 . 1 . . . . 98 . . . 6177 1 1216 . 1 1 133 133 ASP CA C 13 56.510 0.75 . 1 . . . . 98 . . . 6177 1 1217 . 1 1 133 133 ASP HA H 1 4.550 0.03 . 1 . . . . 98 . . . 6177 1 1218 . 1 1 133 133 ASP CB C 13 40.820 0.75 . 1 . . . . 98 . . . 6177 1 1219 . 1 1 133 133 ASP HB3 H 1 2.780 0.03 . 1 . . . . 98 . . . 6177 1 1220 . 1 1 133 133 ASP HB2 H 1 2.780 0.03 . 1 . . . . 98 . . . 6177 1 1221 . 1 1 133 133 ASP C C 13 176.360 0.75 . 1 . . . . 98 . . . 6177 1 1222 . 1 1 134 134 LYS N N 15 117.525 0.5 . 1 . . . . 99 . . . 6177 1 1223 . 1 1 134 134 LYS H H 1 8.710 0.03 . 1 . . . . 99 . . . 6177 1 1224 . 1 1 134 134 LYS CA C 13 56.820 0.75 . 1 . . . . 99 . . . 6177 1 1225 . 1 1 134 134 LYS HA H 1 4.530 0.03 . 1 . . . . 99 . . . 6177 1 1226 . 1 1 134 134 LYS CB C 13 34.910 0.75 . 1 . . . . 99 . . . 6177 1 1227 . 1 1 134 134 LYS HB3 H 1 2.160 0.03 . 2 . . . . 99 . . . 6177 1 1228 . 1 1 134 134 LYS HB2 H 1 1.900 0.03 . 2 . . . . 99 . . . 6177 1 1229 . 1 1 134 134 LYS CG C 13 25.504 0.75 . 1 . . . . 99 . . . 6177 1 1230 . 1 1 134 134 LYS HG3 H 1 1.460 0.03 . 2 . . . . 99 . . . 6177 1 1231 . 1 1 134 134 LYS HG2 H 1 1.430 0.03 . 2 . . . . 99 . . . 6177 1 1232 . 1 1 134 134 LYS CD C 13 29.600 0.75 . 1 . . . . 99 . . . 6177 1 1233 . 1 1 134 134 LYS HD3 H 1 1.780 0.03 . 2 . . . . 99 . . . 6177 1 1234 . 1 1 134 134 LYS HD2 H 1 1.690 0.03 . 2 . . . . 99 . . . 6177 1 1235 . 1 1 134 134 LYS CE C 13 42.900 0.75 . 1 . . . . 99 . . . 6177 1 1236 . 1 1 134 134 LYS HE3 H 1 3.060 0.03 . 2 . . . . 99 . . . 6177 1 1237 . 1 1 134 134 LYS HE2 H 1 2.990 0.03 . 2 . . . . 99 . . . 6177 1 1238 . 1 1 134 134 LYS C C 13 176.130 0.75 . 1 . . . . 99 . . . 6177 1 1239 . 1 1 135 135 SER N N 15 114.269 0.5 . 1 . . . . 100 . . . 6177 1 1240 . 1 1 135 135 SER H H 1 7.957 0.03 . 1 . . . . 100 . . . 6177 1 1241 . 1 1 135 135 SER CA C 13 56.800 0.75 . 1 . . . . 100 . . . 6177 1 1242 . 1 1 135 135 SER HA H 1 5.280 0.03 . 1 . . . . 100 . . . 6177 1 1243 . 1 1 135 135 SER CB C 13 67.200 0.75 . 1 . . . . 100 . . . 6177 1 1244 . 1 1 135 135 SER HB3 H 1 4.040 0.03 . 2 . . . . 100 . . . 6177 1 1245 . 1 1 135 135 SER HB2 H 1 4.090 0.03 . 2 . . . . 100 . . . 6177 1 1246 . 1 1 135 135 SER C C 13 171.160 0.75 . 1 . . . . 100 . . . 6177 1 1247 . 1 1 136 136 ARG N N 15 120.112 0.5 . 1 . . . . 101 . . . 6177 1 1248 . 1 1 136 136 ARG H H 1 9.044 0.03 . 1 . . . . 101 . . . 6177 1 1249 . 1 1 136 136 ARG CA C 13 55.500 0.75 . 1 . . . . 101 . . . 6177 1 1250 . 1 1 136 136 ARG HA H 1 4.850 0.03 . 1 . . . . 101 . . . 6177 1 1251 . 1 1 136 136 ARG CB C 13 34.680 0.75 . 1 . . . . 101 . . . 6177 1 1252 . 1 1 136 136 ARG HB3 H 1 1.610 0.03 . 2 . . . . 101 . . . 6177 1 1253 . 1 1 136 136 ARG HB2 H 1 1.190 0.03 . 2 . . . . 101 . . . 6177 1 1254 . 1 1 136 136 ARG CG C 13 27.000 0.75 . 1 . . . . 101 . . . 6177 1 1255 . 1 1 136 136 ARG HG3 H 1 0.710 0.03 . 2 . . . . 101 . . . 6177 1 1256 . 1 1 136 136 ARG HG2 H 1 0.440 0.03 . 2 . . . . 101 . . . 6177 1 1257 . 1 1 136 136 ARG CD C 13 42.800 0.75 . 1 . . . . 101 . . . 6177 1 1258 . 1 1 136 136 ARG HD3 H 1 2.760 0.03 . 1 . . . . 101 . . . 6177 1 1259 . 1 1 136 136 ARG HD2 H 1 2.760 0.03 . 1 . . . . 101 . . . 6177 1 1260 . 1 1 136 136 ARG NE N 15 83.200 0.5 . 1 . . . . 101 . . . 6177 1 1261 . 1 1 136 136 ARG HE H 1 7.080 0.03 . 1 . . . . 101 . . . 6177 1 1262 . 1 1 136 136 ARG C C 13 173.610 0.75 . 1 . . . . 101 . . . 6177 1 1263 . 1 1 137 137 ASP N N 15 124.908 0.5 . 1 . . . . 102 . . . 6177 1 1264 . 1 1 137 137 ASP H H 1 8.971 0.03 . 1 . . . . 102 . . . 6177 1 1265 . 1 1 137 137 ASP CA C 13 52.600 0.75 . 1 . . . . 102 . . . 6177 1 1266 . 1 1 137 137 ASP HA H 1 4.990 0.03 . 1 . . . . 102 . . . 6177 1 1267 . 1 1 137 137 ASP CB C 13 42.320 0.75 . 1 . . . . 102 . . . 6177 1 1268 . 1 1 137 137 ASP HB3 H 1 3.110 0.03 . 2 . . . . 102 . . . 6177 1 1269 . 1 1 137 137 ASP HB2 H 1 2.020 0.03 . 2 . . . . 102 . . . 6177 1 1270 . 1 1 137 137 ASP C C 13 177.910 0.75 . 1 . . . . 102 . . . 6177 1 1271 . 1 1 138 138 TYR N N 15 124.187 0.5 . 1 . . . . 103 . . . 6177 1 1272 . 1 1 138 138 TYR H H 1 9.063 0.03 . 1 . . . . 103 . . . 6177 1 1273 . 1 1 138 138 TYR CA C 13 62.000 0.75 . 1 . . . . 103 . . . 6177 1 1274 . 1 1 138 138 TYR HA H 1 3.950 0.03 . 1 . . . . 103 . . . 6177 1 1275 . 1 1 138 138 TYR CB C 13 37.910 0.75 . 1 . . . . 103 . . . 6177 1 1276 . 1 1 138 138 TYR HB3 H 1 3.240 0.03 . 2 . . . . 103 . . . 6177 1 1277 . 1 1 138 138 TYR HB2 H 1 2.980 0.03 . 2 . . . . 103 . . . 6177 1 1278 . 1 1 138 138 TYR CD1 C 13 131.320 0.75 . 1 . . . . 103 . . . 6177 1 1279 . 1 1 138 138 TYR HD1 H 1 6.860 0.03 . 1 . . . . 103 . . . 6177 1 1280 . 1 1 138 138 TYR CE1 C 13 116.100 0.75 . 1 . . . . 103 . . . 6177 1 1281 . 1 1 138 138 TYR HE1 H 1 6.250 0.03 . 1 . . . . 103 . . . 6177 1 1282 . 1 1 138 138 TYR CE2 C 13 116.100 0.75 . 1 . . . . 103 . . . 6177 1 1283 . 1 1 138 138 TYR HE2 H 1 6.250 0.03 . 1 . . . . 103 . . . 6177 1 1284 . 1 1 138 138 TYR CD2 C 13 131.320 0.75 . 1 . . . . 103 . . . 6177 1 1285 . 1 1 138 138 TYR HD2 H 1 6.860 0.03 . 1 . . . . 103 . . . 6177 1 1286 . 1 1 138 138 TYR C C 13 176.690 0.75 . 1 . . . . 103 . . . 6177 1 1287 . 1 1 139 139 THR N N 15 111.215 0.5 . 1 . . . . 104 . . . 6177 1 1288 . 1 1 139 139 THR H H 1 9.294 0.03 . 1 . . . . 104 . . . 6177 1 1289 . 1 1 139 139 THR CA C 13 62.660 0.75 . 1 . . . . 104 . . . 6177 1 1290 . 1 1 139 139 THR HA H 1 4.610 0.03 . 1 . . . . 104 . . . 6177 1 1291 . 1 1 139 139 THR CB C 13 70.150 0.75 . 1 . . . . 104 . . . 6177 1 1292 . 1 1 139 139 THR HB H 1 4.400 0.03 . 1 . . . . 104 . . . 6177 1 1293 . 1 1 139 139 THR CG2 C 13 23.900 0.75 . 1 . . . . 104 . . . 6177 1 1294 . 1 1 139 139 THR HG21 H 1 1.360 0.03 . 1 . . . . 104 . . . 6177 1 1295 . 1 1 139 139 THR HG22 H 1 1.360 0.03 . 1 . . . . 104 . . . 6177 1 1296 . 1 1 139 139 THR HG23 H 1 1.360 0.03 . 1 . . . . 104 . . . 6177 1 1297 . 1 1 139 139 THR C C 13 174.440 0.75 . 1 . . . . 104 . . . 6177 1 1298 . 1 1 140 140 ARG N N 15 121.192 0.5 . 1 . . . . 105 . . . 6177 1 1299 . 1 1 140 140 ARG H H 1 6.928 0.03 . 1 . . . . 105 . . . 6177 1 1300 . 1 1 140 140 ARG CA C 13 53.200 0.75 . 1 . . . . 105 . . . 6177 1 1301 . 1 1 140 140 ARG HA H 1 4.930 0.03 . 1 . . . . 105 . . . 6177 1 1302 . 1 1 140 140 ARG CB C 13 32.070 0.75 . 1 . . . . 105 . . . 6177 1 1303 . 1 1 140 140 ARG HB3 H 1 1.800 0.03 . 2 . . . . 105 . . . 6177 1 1304 . 1 1 140 140 ARG HB2 H 1 1.510 0.03 . 2 . . . . 105 . . . 6177 1 1305 . 1 1 140 140 ARG CG C 13 26.700 0.75 . 1 . . . . 105 . . . 6177 1 1306 . 1 1 140 140 ARG HG3 H 1 1.720 0.03 . 2 . . . . 105 . . . 6177 1 1307 . 1 1 140 140 ARG HG2 H 1 1.520 0.03 . 2 . . . . 105 . . . 6177 1 1308 . 1 1 140 140 ARG CD C 13 43.500 0.75 . 1 . . . . 105 . . . 6177 1 1309 . 1 1 140 140 ARG HD3 H 1 3.190 0.03 . 1 . . . . 105 . . . 6177 1 1310 . 1 1 140 140 ARG HD2 H 1 3.190 0.03 . 1 . . . . 105 . . . 6177 1 1311 . 1 1 140 140 ARG C C 13 172.950 0.75 . 1 . . . . 105 . . . 6177 1 1312 . 1 1 141 141 PRO CA C 13 63.700 0.75 . 1 . . . . 106 . . . 6177 1 1313 . 1 1 141 141 PRO HA H 1 4.460 0.03 . 1 . . . . 106 . . . 6177 1 1314 . 1 1 141 141 PRO CB C 13 32.390 0.75 . 1 . . . . 106 . . . 6177 1 1315 . 1 1 141 141 PRO HB3 H 1 2.310 0.03 . 2 . . . . 106 . . . 6177 1 1316 . 1 1 141 141 PRO HB2 H 1 2.010 0.03 . 2 . . . . 106 . . . 6177 1 1317 . 1 1 141 141 PRO CG C 13 27.700 0.75 . 1 . . . . 106 . . . 6177 1 1318 . 1 1 141 141 PRO HG3 H 1 2.020 0.03 . 1 . . . . 106 . . . 6177 1 1319 . 1 1 141 141 PRO HG2 H 1 2.020 0.03 . 1 . . . . 106 . . . 6177 1 1320 . 1 1 141 141 PRO CD C 13 50.700 0.75 . 1 . . . . 106 . . . 6177 1 1321 . 1 1 141 141 PRO HD3 H 1 3.810 0.03 . 2 . . . . 106 . . . 6177 1 1322 . 1 1 141 141 PRO HD2 H 1 3.410 0.03 . 2 . . . . 106 . . . 6177 1 1323 . 1 1 141 141 PRO C C 13 176.700 0.75 . 1 . . . . 106 . . . 6177 1 1324 . 1 1 142 142 ASP N N 15 116.253 0.5 . 1 . . . . 107 . . . 6177 1 1325 . 1 1 142 142 ASP H H 1 8.760 0.03 . 1 . . . . 107 . . . 6177 1 1326 . 1 1 142 142 ASP CA C 13 54.070 0.75 . 1 . . . . 107 . . . 6177 1 1327 . 1 1 142 142 ASP HA H 1 4.600 0.03 . 1 . . . . 107 . . . 6177 1 1328 . 1 1 142 142 ASP CB C 13 40.900 0.75 . 1 . . . . 107 . . . 6177 1 1329 . 1 1 142 142 ASP HB3 H 1 2.740 0.03 . 2 . . . . 107 . . . 6177 1 1330 . 1 1 142 142 ASP HB2 H 1 2.650 0.03 . 2 . . . . 107 . . . 6177 1 1331 . 1 1 142 142 ASP C C 13 176.240 0.75 . 1 . . . . 107 . . . 6177 1 1332 . 1 1 143 143 LEU N N 15 120.438 0.5 . 1 . . . . 108 . . . 6177 1 1333 . 1 1 143 143 LEU H H 1 6.993 0.03 . 1 . . . . 108 . . . 6177 1 1334 . 1 1 143 143 LEU CA C 13 54.500 0.75 . 1 . . . . 108 . . . 6177 1 1335 . 1 1 143 143 LEU HA H 1 4.430 0.03 . 1 . . . . 108 . . . 6177 1 1336 . 1 1 143 143 LEU CB C 13 40.820 0.75 . 1 . . . . 108 . . . 6177 1 1337 . 1 1 143 143 LEU HB3 H 1 1.680 0.03 . 2 . . . . 108 . . . 6177 1 1338 . 1 1 143 143 LEU HB2 H 1 1.530 0.03 . 2 . . . . 108 . . . 6177 1 1339 . 1 1 143 143 LEU CG C 13 26.500 0.75 . 1 . . . . 108 . . . 6177 1 1340 . 1 1 143 143 LEU HG H 1 1.890 0.03 . 1 . . . . 108 . . . 6177 1 1341 . 1 1 143 143 LEU CD1 C 13 22.500 0.75 . 1 . . . . 108 . . . 6177 1 1342 . 1 1 143 143 LEU HD11 H 1 0.760 0.03 . 2 . . . . 108 . . . 6177 1 1343 . 1 1 143 143 LEU HD12 H 1 0.760 0.03 . 2 . . . . 108 . . . 6177 1 1344 . 1 1 143 143 LEU HD13 H 1 0.760 0.03 . 2 . . . . 108 . . . 6177 1 1345 . 1 1 143 143 LEU CD2 C 13 27.200 0.75 . 1 . . . . 108 . . . 6177 1 1346 . 1 1 143 143 LEU HD21 H 1 0.700 0.03 . 2 . . . . 108 . . . 6177 1 1347 . 1 1 143 143 LEU HD22 H 1 0.700 0.03 . 2 . . . . 108 . . . 6177 1 1348 . 1 1 143 143 LEU HD23 H 1 0.700 0.03 . 2 . . . . 108 . . . 6177 1 1349 . 1 1 143 143 LEU C C 13 175.080 0.75 . 1 . . . . 108 . . . 6177 1 1350 . 1 1 144 144 PRO CA C 13 62.900 0.75 . 1 . . . . 109 . . . 6177 1 1351 . 1 1 144 144 PRO HA H 1 4.760 0.03 . 1 . . . . 109 . . . 6177 1 1352 . 1 1 144 144 PRO CB C 13 33.260 0.75 . 1 . . . . 109 . . . 6177 1 1353 . 1 1 144 144 PRO HB3 H 1 2.560 0.03 . 2 . . . . 109 . . . 6177 1 1354 . 1 1 144 144 PRO HB2 H 1 2.290 0.03 . 2 . . . . 109 . . . 6177 1 1355 . 1 1 144 144 PRO CG C 13 27.800 0.75 . 1 . . . . 109 . . . 6177 1 1356 . 1 1 144 144 PRO HG3 H 1 2.210 0.03 . 2 . . . . 109 . . . 6177 1 1357 . 1 1 144 144 PRO HG2 H 1 2.180 0.03 . 2 . . . . 109 . . . 6177 1 1358 . 1 1 144 144 PRO CD C 13 50.300 0.75 . 1 . . . . 109 . . . 6177 1 1359 . 1 1 144 144 PRO HD3 H 1 3.910 0.03 . 2 . . . . 109 . . . 6177 1 1360 . 1 1 144 144 PRO HD2 H 1 3.840 0.03 . 2 . . . . 109 . . . 6177 1 1361 . 1 1 144 144 PRO C C 13 176.130 0.75 . 1 . . . . 109 . . . 6177 1 1362 . 1 1 145 145 SER N N 15 113.260 0.5 . 1 . . . . 110 . . . 6177 1 1363 . 1 1 145 145 SER H H 1 8.560 0.03 . 1 . . . . 110 . . . 6177 1 1364 . 1 1 145 145 SER CA C 13 59.200 0.75 . 1 . . . . 110 . . . 6177 1 1365 . 1 1 145 145 SER HA H 1 4.810 0.03 . 1 . . . . 110 . . . 6177 1 1366 . 1 1 145 145 SER CB C 13 65.100 0.75 . 1 . . . . 110 . . . 6177 1 1367 . 1 1 145 145 SER HB3 H 1 4.100 0.03 . 2 . . . . 110 . . . 6177 1 1368 . 1 1 145 145 SER HB2 H 1 4.020 0.03 . 2 . . . . 110 . . . 6177 1 1369 . 1 1 145 145 SER C C 13 175.770 0.75 . 1 . . . . 110 . . . 6177 1 1370 . 1 1 146 146 GLY N N 15 110.300 0.5 . 1 . . . . 111 . . . 6177 1 1371 . 1 1 146 146 GLY H H 1 7.720 0.03 . 1 . . . . 111 . . . 6177 1 1372 . 1 1 146 146 GLY CA C 13 45.240 0.75 . 1 . . . . 111 . . . 6177 1 1373 . 1 1 146 146 GLY HA3 H 1 3.450 0.03 . 2 . . . . 111 . . . 6177 1 1374 . 1 1 146 146 GLY HA2 H 1 3.040 0.03 . 2 . . . . 111 . . . 6177 1 1375 . 1 1 146 146 GLY C C 13 172.200 0.75 . 1 . . . . 111 . . . 6177 1 1376 . 1 1 147 147 ASP N N 15 125.100 0.5 . 1 . . . . 112 . . . 6177 1 1377 . 1 1 147 147 ASP H H 1 7.730 0.03 . 1 . . . . 112 . . . 6177 1 1378 . 1 1 147 147 ASP CA C 13 56.200 0.75 . 1 . . . . 112 . . . 6177 1 1379 . 1 1 147 147 ASP CB C 13 43.500 0.75 . 1 . . . . 112 . . . 6177 1 1380 . 1 1 147 147 ASP C C 13 181.000 0.75 . 1 . . . . 112 . . . 6177 1 stop_ save_