data_6460 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6460 _Entry.Title ; NMR assignments of a low molecular weight phosphotyrosine phosphatase from Bacillus subtilis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-01-14 _Entry.Accession_date 2005-01-14 _Entry.Last_release_date 2005-06-03 _Entry.Original_release_date 2005-06-03 _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 Huimin Xu . . . 6460 2 Changwen Jin . . . 6460 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6460 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 949 6460 '13C chemical shifts' 596 6460 '15N chemical shifts' 146 6460 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 . . 2005-06-03 2005-01-14 original author . 6460 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6460 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15929004 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: NMR assignments of a low molecular weight protein tyrosine phosphatase (PTPase) from Bacillus subtilis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 31 _Citation.Journal_issue 4 _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 363 _Citation.Page_last 363 _Citation.Year 2005 _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 Huimin Xu . . . 6460 1 2 P. Zhang . . . 6460 1 3 Changwen Jin . . . 6460 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ywlE _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ywlE _Assembly.Entry_ID 6460 _Assembly.ID 1 _Assembly.Name ywlE _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 6460 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 'ywlE monomer' 1 $ywlE_monomer . . . native . . . . . 6460 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID ywlE system 6460 1 ywlE abbreviation 6460 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ywlE_monomer _Entity.Sf_category entity _Entity.Sf_framecode ywlE_monomer _Entity.Entry_ID 6460 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'low molecular weight phosphotyrosine phosphatase' _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 ; MDIIFVCTGNTCRSPMAEAL FKSIAEREGLNVNVRSAGVF ASPNGKATPHAVEALFEKHI ALNHVSSPLTEELMESADLV LAMTHQHKQIIASQFGRYRD KVFTLKEYVTGSHGDVLDPF GGSIDIYKQTRDELEELLRQ LAKQLKKDRR ; _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 150 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16785 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1ZGG . "Solution Structure Of A Low Molecular Weight Protein Tyrosine Phosphatase From Bacillus Subtilis" . . . . . 100.00 150 100.00 100.00 1.42e-106 . . . . 6460 1 2 no PDB 4ETI . "Crystal Structure Of Ywle From Bacillus Subtilis" . . . . . 100.00 184 100.00 100.00 2.85e-106 . . . . 6460 1 3 no PDB 4ETN . "Crystal Structure Of Ywle Mutant From Bacillus Subtilis" . . . . . 100.00 184 99.33 99.33 5.45e-105 . . . . 6460 1 4 no PDB 4KK3 . "Ywle Arginine Phosphatase - Wildtype" . . . . . 99.33 151 97.99 97.99 2.41e-102 . . . . 6460 1 5 no PDB 4KK4 . "Ywle Arginine Phosphatase - C7s Mutant With Phosphorylated Active Site Serine" . . . . . 100.00 152 99.33 99.33 5.08e-105 . . . . 6460 1 6 no DBJ BAI87352 . "hypothetical protein BSNT_10347 [Bacillus subtilis subsp. natto BEST195]" . . . . . 100.00 150 98.67 99.33 3.69e-105 . . . . 6460 1 7 no DBJ BAM55776 . "protein-tyrosine-phosphatase [Bacillus subtilis BEST7613]" . . . . . 100.00 150 100.00 100.00 1.42e-106 . . . . 6460 1 8 no DBJ BAM59788 . "protein-tyrosine-phosphatase [Bacillus subtilis BEST7003]" . . . . . 100.00 150 100.00 100.00 1.42e-106 . . . . 6460 1 9 no DBJ GAK81006 . "protein-tyrosine-phosphatase [Bacillus subtilis Miyagi-4]" . . . . . 100.00 150 98.67 99.33 3.69e-105 . . . . 6460 1 10 no EMBL CAA86107 . "Unknown [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 150 100.00 100.00 1.42e-106 . . . . 6460 1 11 no EMBL CAB15710 . "protein-tyrosine-phosphatase [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 150 100.00 100.00 1.42e-106 . . . . 6460 1 12 no EMBL CCU60790 . "Low molecular weight protein tyrosine phosphatase [Bacillus subtilis E1]" . . . . . 100.00 150 98.00 98.67 6.13e-104 . . . . 6460 1 13 no EMBL CEI59501 . "low molecular weight protein-tyrosine-phosphatase YwlE [Bacillus subtilis]" . . . . . 100.00 150 100.00 100.00 1.42e-106 . . . . 6460 1 14 no EMBL CEJ79358 . "low molecular weight protein-tyrosine-phosphatase YwlE [Bacillus sp.]" . . . . . 100.00 150 100.00 100.00 1.42e-106 . . . . 6460 1 15 no GB ADV94503 . "protein-tyrosine-phosphatase [Bacillus subtilis BSn5]" . . . . . 100.00 150 98.00 98.67 6.13e-104 . . . . 6460 1 16 no GB AEP92751 . "YwlE [Bacillus subtilis subsp. subtilis str. RO-NN-1]" . . . . . 100.00 150 98.67 98.67 2.56e-104 . . . . 6460 1 17 no GB AFQ59544 . "Protein-tyrosine-phosphatase [Bacillus subtilis QB928]" . . . . . 100.00 153 100.00 100.00 1.41e-106 . . . . 6460 1 18 no GB AGA21636 . "Low molecular weight protein-tyrosine-phosphatase YwlE [Bacillus subtilis subsp. subtilis str. BSP1]" . . . . . 100.00 150 98.67 99.33 3.69e-105 . . . . 6460 1 19 no GB AGE65300 . "protein-tyrosine-phosphatase [Bacillus subtilis XF-1]" . . . . . 100.00 150 98.00 98.67 6.13e-104 . . . . 6460 1 20 no PRF 2108403F . "ipc-31d gene" . . . . . 100.00 150 100.00 100.00 1.42e-106 . . . . 6460 1 21 no REF NP_391574 . "low molecular weight protein-tyrosine-phosphatase YwlE [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 150 100.00 100.00 1.42e-106 . . . . 6460 1 22 no REF WP_003227664 . "protein tyrosine phosphatase [Bacillus subtilis]" . . . . . 100.00 150 100.00 100.00 1.42e-106 . . . . 6460 1 23 no REF WP_014478261 . "protein tyrosine phosphatase [Bacillus subtilis]" . . . . . 100.00 150 98.67 98.67 2.56e-104 . . . . 6460 1 24 no REF WP_014481190 . "hypothetical protein [Bacillus subtilis]" . . . . . 100.00 150 98.67 99.33 3.69e-105 . . . . 6460 1 25 no REF WP_014906641 . "protein tyrosine phosphatase [Bacillus subtilis]" . . . . . 100.00 153 100.00 100.00 1.41e-106 . . . . 6460 1 26 no SP P39155 . "RecName: Full=Protein-arginine-phosphatase; Short=PAP; AltName: Full=Phosphoarginine phosphatase [Bacillus subtilis subsp. subt" . . . . . 100.00 150 100.00 100.00 1.42e-106 . . . . 6460 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'low molecular weight phosphotyrosine phosphatase' common 6460 1 'LMW PTPase' abbreviation 6460 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6460 1 2 . ASP . 6460 1 3 . ILE . 6460 1 4 . ILE . 6460 1 5 . PHE . 6460 1 6 . VAL . 6460 1 7 . CYS . 6460 1 8 . THR . 6460 1 9 . GLY . 6460 1 10 . ASN . 6460 1 11 . THR . 6460 1 12 . CYS . 6460 1 13 . ARG . 6460 1 14 . SER . 6460 1 15 . PRO . 6460 1 16 . MET . 6460 1 17 . ALA . 6460 1 18 . GLU . 6460 1 19 . ALA . 6460 1 20 . LEU . 6460 1 21 . PHE . 6460 1 22 . LYS . 6460 1 23 . SER . 6460 1 24 . ILE . 6460 1 25 . ALA . 6460 1 26 . GLU . 6460 1 27 . ARG . 6460 1 28 . GLU . 6460 1 29 . GLY . 6460 1 30 . LEU . 6460 1 31 . ASN . 6460 1 32 . VAL . 6460 1 33 . ASN . 6460 1 34 . VAL . 6460 1 35 . ARG . 6460 1 36 . SER . 6460 1 37 . ALA . 6460 1 38 . GLY . 6460 1 39 . VAL . 6460 1 40 . PHE . 6460 1 41 . ALA . 6460 1 42 . SER . 6460 1 43 . PRO . 6460 1 44 . ASN . 6460 1 45 . GLY . 6460 1 46 . LYS . 6460 1 47 . ALA . 6460 1 48 . THR . 6460 1 49 . PRO . 6460 1 50 . HIS . 6460 1 51 . ALA . 6460 1 52 . VAL . 6460 1 53 . GLU . 6460 1 54 . ALA . 6460 1 55 . LEU . 6460 1 56 . PHE . 6460 1 57 . GLU . 6460 1 58 . LYS . 6460 1 59 . HIS . 6460 1 60 . ILE . 6460 1 61 . ALA . 6460 1 62 . LEU . 6460 1 63 . ASN . 6460 1 64 . HIS . 6460 1 65 . VAL . 6460 1 66 . SER . 6460 1 67 . SER . 6460 1 68 . PRO . 6460 1 69 . LEU . 6460 1 70 . THR . 6460 1 71 . GLU . 6460 1 72 . GLU . 6460 1 73 . LEU . 6460 1 74 . MET . 6460 1 75 . GLU . 6460 1 76 . SER . 6460 1 77 . ALA . 6460 1 78 . ASP . 6460 1 79 . LEU . 6460 1 80 . VAL . 6460 1 81 . LEU . 6460 1 82 . ALA . 6460 1 83 . MET . 6460 1 84 . THR . 6460 1 85 . HIS . 6460 1 86 . GLN . 6460 1 87 . HIS . 6460 1 88 . LYS . 6460 1 89 . GLN . 6460 1 90 . ILE . 6460 1 91 . ILE . 6460 1 92 . ALA . 6460 1 93 . SER . 6460 1 94 . GLN . 6460 1 95 . PHE . 6460 1 96 . GLY . 6460 1 97 . ARG . 6460 1 98 . TYR . 6460 1 99 . ARG . 6460 1 100 . ASP . 6460 1 101 . LYS . 6460 1 102 . VAL . 6460 1 103 . PHE . 6460 1 104 . THR . 6460 1 105 . LEU . 6460 1 106 . LYS . 6460 1 107 . GLU . 6460 1 108 . TYR . 6460 1 109 . VAL . 6460 1 110 . THR . 6460 1 111 . GLY . 6460 1 112 . SER . 6460 1 113 . HIS . 6460 1 114 . GLY . 6460 1 115 . ASP . 6460 1 116 . VAL . 6460 1 117 . LEU . 6460 1 118 . ASP . 6460 1 119 . PRO . 6460 1 120 . PHE . 6460 1 121 . GLY . 6460 1 122 . GLY . 6460 1 123 . SER . 6460 1 124 . ILE . 6460 1 125 . ASP . 6460 1 126 . ILE . 6460 1 127 . TYR . 6460 1 128 . LYS . 6460 1 129 . GLN . 6460 1 130 . THR . 6460 1 131 . ARG . 6460 1 132 . ASP . 6460 1 133 . GLU . 6460 1 134 . LEU . 6460 1 135 . GLU . 6460 1 136 . GLU . 6460 1 137 . LEU . 6460 1 138 . LEU . 6460 1 139 . ARG . 6460 1 140 . GLN . 6460 1 141 . LEU . 6460 1 142 . ALA . 6460 1 143 . LYS . 6460 1 144 . GLN . 6460 1 145 . LEU . 6460 1 146 . LYS . 6460 1 147 . LYS . 6460 1 148 . ASP . 6460 1 149 . ARG . 6460 1 150 . ARG . 6460 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 6460 1 . ASP 2 2 6460 1 . ILE 3 3 6460 1 . ILE 4 4 6460 1 . PHE 5 5 6460 1 . VAL 6 6 6460 1 . CYS 7 7 6460 1 . THR 8 8 6460 1 . GLY 9 9 6460 1 . ASN 10 10 6460 1 . THR 11 11 6460 1 . CYS 12 12 6460 1 . ARG 13 13 6460 1 . SER 14 14 6460 1 . PRO 15 15 6460 1 . MET 16 16 6460 1 . ALA 17 17 6460 1 . GLU 18 18 6460 1 . ALA 19 19 6460 1 . LEU 20 20 6460 1 . PHE 21 21 6460 1 . LYS 22 22 6460 1 . SER 23 23 6460 1 . ILE 24 24 6460 1 . ALA 25 25 6460 1 . GLU 26 26 6460 1 . ARG 27 27 6460 1 . GLU 28 28 6460 1 . GLY 29 29 6460 1 . LEU 30 30 6460 1 . ASN 31 31 6460 1 . VAL 32 32 6460 1 . ASN 33 33 6460 1 . VAL 34 34 6460 1 . ARG 35 35 6460 1 . SER 36 36 6460 1 . ALA 37 37 6460 1 . GLY 38 38 6460 1 . VAL 39 39 6460 1 . PHE 40 40 6460 1 . ALA 41 41 6460 1 . SER 42 42 6460 1 . PRO 43 43 6460 1 . ASN 44 44 6460 1 . GLY 45 45 6460 1 . LYS 46 46 6460 1 . ALA 47 47 6460 1 . THR 48 48 6460 1 . PRO 49 49 6460 1 . HIS 50 50 6460 1 . ALA 51 51 6460 1 . VAL 52 52 6460 1 . GLU 53 53 6460 1 . ALA 54 54 6460 1 . LEU 55 55 6460 1 . PHE 56 56 6460 1 . GLU 57 57 6460 1 . LYS 58 58 6460 1 . HIS 59 59 6460 1 . ILE 60 60 6460 1 . ALA 61 61 6460 1 . LEU 62 62 6460 1 . ASN 63 63 6460 1 . HIS 64 64 6460 1 . VAL 65 65 6460 1 . SER 66 66 6460 1 . SER 67 67 6460 1 . PRO 68 68 6460 1 . LEU 69 69 6460 1 . THR 70 70 6460 1 . GLU 71 71 6460 1 . GLU 72 72 6460 1 . LEU 73 73 6460 1 . MET 74 74 6460 1 . GLU 75 75 6460 1 . SER 76 76 6460 1 . ALA 77 77 6460 1 . ASP 78 78 6460 1 . LEU 79 79 6460 1 . VAL 80 80 6460 1 . LEU 81 81 6460 1 . ALA 82 82 6460 1 . MET 83 83 6460 1 . THR 84 84 6460 1 . HIS 85 85 6460 1 . GLN 86 86 6460 1 . HIS 87 87 6460 1 . LYS 88 88 6460 1 . GLN 89 89 6460 1 . ILE 90 90 6460 1 . ILE 91 91 6460 1 . ALA 92 92 6460 1 . SER 93 93 6460 1 . GLN 94 94 6460 1 . PHE 95 95 6460 1 . GLY 96 96 6460 1 . ARG 97 97 6460 1 . TYR 98 98 6460 1 . ARG 99 99 6460 1 . ASP 100 100 6460 1 . LYS 101 101 6460 1 . VAL 102 102 6460 1 . PHE 103 103 6460 1 . THR 104 104 6460 1 . LEU 105 105 6460 1 . LYS 106 106 6460 1 . GLU 107 107 6460 1 . TYR 108 108 6460 1 . VAL 109 109 6460 1 . THR 110 110 6460 1 . GLY 111 111 6460 1 . SER 112 112 6460 1 . HIS 113 113 6460 1 . GLY 114 114 6460 1 . ASP 115 115 6460 1 . VAL 116 116 6460 1 . LEU 117 117 6460 1 . ASP 118 118 6460 1 . PRO 119 119 6460 1 . PHE 120 120 6460 1 . GLY 121 121 6460 1 . GLY 122 122 6460 1 . SER 123 123 6460 1 . ILE 124 124 6460 1 . ASP 125 125 6460 1 . ILE 126 126 6460 1 . TYR 127 127 6460 1 . LYS 128 128 6460 1 . GLN 129 129 6460 1 . THR 130 130 6460 1 . ARG 131 131 6460 1 . ASP 132 132 6460 1 . GLU 133 133 6460 1 . LEU 134 134 6460 1 . GLU 135 135 6460 1 . GLU 136 136 6460 1 . LEU 137 137 6460 1 . LEU 138 138 6460 1 . ARG 139 139 6460 1 . GLN 140 140 6460 1 . LEU 141 141 6460 1 . ALA 142 142 6460 1 . LYS 143 143 6460 1 . GLN 144 144 6460 1 . LEU 145 145 6460 1 . LYS 146 146 6460 1 . LYS 147 147 6460 1 . ASP 148 148 6460 1 . ARG 149 149 6460 1 . ARG 150 150 6460 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 6460 _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 $ywlE_monomer . 1423 . . 'Bacillus subtilis' 'Bacillus subtilis' . . Eubacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 6460 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 6460 _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 $ywlE_monomer . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6460 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_ywlE _Sample.Sf_category sample _Sample.Sf_framecode sample_ywlE _Sample.Entry_ID 6460 _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 'low molecular weight phosphotyrosine phosphatase' '[U-15N; U-13C]' . . 1 $ywlE_monomer . . 1 0.5 1.5 mM . . . . 6460 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 6460 _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 7.5 0.2 pH 6460 1 temperature 298 0.5 K 6460 1 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 6460 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6460 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6460 _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 Bruker Avance . 500 . . . 6460 1 2 NMR_spectrometer_2 Bruker Avance . 800 . . . 6460 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 6460 _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 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6460 1 2 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6460 1 3 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6460 1 4 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6460 1 5 HBHA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6460 1 6 HCCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6460 1 7 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6460 1 8 CCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6460 1 9 CCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6460 1 10 '15N-edited TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6460 1 11 '15N-edited NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6460 1 12 '13C-edited NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6460 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 6460 _NMR_spec_expt.ID 1 _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_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6460 _NMR_spec_expt.ID 2 _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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6460 _NMR_spec_expt.ID 3 _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6460 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6460 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HBHA(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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6460 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HCCH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6460 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCCH-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 6460 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name CCH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6460 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 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_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6460 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '15N-edited TOCSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 6460 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '15N-edited NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 6460 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '13C-edited NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # 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 6460 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.00000000 . . . . . . . . . 6460 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.10132905 . . . . . . . . . 6460 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.25144952 . . . . . . . . . 6460 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_shift_of_ywlE _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_of_ywlE _Assigned_chem_shift_list.Entry_ID 6460 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_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 HNCACB 1 $sample_ywlE . 6460 1 2 CBCA(CO)NH 1 $sample_ywlE . 6460 1 3 HNCO 1 $sample_ywlE . 6460 1 4 HNCA 1 $sample_ywlE . 6460 1 5 HBHA(CO)NH 1 $sample_ywlE . 6460 1 6 HCCH-COSY 1 $sample_ywlE . 6460 1 7 HCCH-TOCSY 1 $sample_ywlE . 6460 1 8 CCH-COSY 1 $sample_ywlE . 6460 1 9 CCH-TOCSY 1 $sample_ywlE . 6460 1 10 '15N-edited TOCSY-HSQC' 1 $sample_ywlE . 6460 1 11 '15N-edited NOESY-HSQC' 1 $sample_ywlE . 6460 1 12 '13C-edited NOESY-HSQC' 1 $sample_ywlE . 6460 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 55.470 0.30 . 1 . . . . . . . . 6460 1 2 . 1 1 1 1 MET HA H 1 4.109 0.02 . 1 . . . . . . . . 6460 1 3 . 1 1 1 1 MET CB C 13 34.360 0.30 . 1 . . . . . . . . 6460 1 4 . 1 1 1 1 MET HB3 H 1 2.054 0.02 . 2 . . . . . . . . 6460 1 5 . 1 1 1 1 MET HB2 H 1 2.176 0.02 . 2 . . . . . . . . 6460 1 6 . 1 1 1 1 MET CG C 13 32.190 0.30 . 1 . . . . . . . . 6460 1 7 . 1 1 1 1 MET HG3 H 1 2.483 0.02 . 2 . . . . . . . . 6460 1 8 . 1 1 1 1 MET CE C 13 17.594 0.30 . 1 . . . . . . . . 6460 1 9 . 1 1 1 1 MET HE1 H 1 2.024 0.02 . 1 . . . . . . . . 6460 1 10 . 1 1 1 1 MET HE2 H 1 2.024 0.02 . 1 . . . . . . . . 6460 1 11 . 1 1 1 1 MET HE3 H 1 2.024 0.02 . 1 . . . . . . . . 6460 1 12 . 1 1 1 1 MET C C 13 172.360 0.30 . 1 . . . . . . . . 6460 1 13 . 1 1 2 2 ASP N N 15 131.230 0.30 . 1 . . . . . . . . 6460 1 14 . 1 1 2 2 ASP H H 1 10.217 0.02 . 1 . . . . . . . . 6460 1 15 . 1 1 2 2 ASP CA C 13 53.790 0.30 . 1 . . . . . . . . 6460 1 16 . 1 1 2 2 ASP HA H 1 5.460 0.02 . 1 . . . . . . . . 6460 1 17 . 1 1 2 2 ASP CB C 13 43.020 0.30 . 1 . . . . . . . . 6460 1 18 . 1 1 2 2 ASP HB3 H 1 2.640 0.02 . 2 . . . . . . . . 6460 1 19 . 1 1 2 2 ASP HB2 H 1 2.561 0.02 . 2 . . . . . . . . 6460 1 20 . 1 1 2 2 ASP C C 13 175.590 0.30 . 1 . . . . . . . . 6460 1 21 . 1 1 3 3 ILE N N 15 125.970 0.30 . 1 . . . . . . . . 6460 1 22 . 1 1 3 3 ILE H H 1 8.838 0.02 . 1 . . . . . . . . 6460 1 23 . 1 1 3 3 ILE CA C 13 59.840 0.30 . 1 . . . . . . . . 6460 1 24 . 1 1 3 3 ILE HA H 1 4.873 0.02 . 1 . . . . . . . . 6460 1 25 . 1 1 3 3 ILE CB C 13 41.860 0.30 . 1 . . . . . . . . 6460 1 26 . 1 1 3 3 ILE HB H 1 1.385 0.02 . 1 . . . . . . . . 6460 1 27 . 1 1 3 3 ILE CG1 C 13 28.090 0.30 . 2 . . . . . . . . 6460 1 28 . 1 1 3 3 ILE HG13 H 1 1.372 0.02 . 1 . . . . . . . . 6460 1 29 . 1 1 3 3 ILE HG12 H 1 0.817 0.02 . 1 . . . . . . . . 6460 1 30 . 1 1 3 3 ILE CD1 C 13 14.680 0.30 . 1 . . . . . . . . 6460 1 31 . 1 1 3 3 ILE HD11 H 1 0.634 0.02 . 1 . . . . . . . . 6460 1 32 . 1 1 3 3 ILE HD12 H 1 0.634 0.02 . 1 . . . . . . . . 6460 1 33 . 1 1 3 3 ILE HD13 H 1 0.634 0.02 . 1 . . . . . . . . 6460 1 34 . 1 1 3 3 ILE CG2 C 13 16.660 0.30 . 2 . . . . . . . . 6460 1 35 . 1 1 3 3 ILE HG21 H 1 0.037 0.02 . 1 . . . . . . . . 6460 1 36 . 1 1 3 3 ILE HG22 H 1 0.037 0.02 . 1 . . . . . . . . 6460 1 37 . 1 1 3 3 ILE HG23 H 1 0.037 0.02 . 1 . . . . . . . . 6460 1 38 . 1 1 3 3 ILE C C 13 174.310 0.30 . 1 . . . . . . . . 6460 1 39 . 1 1 4 4 ILE N N 15 124.040 0.30 . 1 . . . . . . . . 6460 1 40 . 1 1 4 4 ILE H H 1 8.012 0.02 . 1 . . . . . . . . 6460 1 41 . 1 1 4 4 ILE CA C 13 58.480 0.30 . 1 . . . . . . . . 6460 1 42 . 1 1 4 4 ILE HA H 1 4.781 0.02 . 1 . . . . . . . . 6460 1 43 . 1 1 4 4 ILE CB C 13 41.060 0.30 . 1 . . . . . . . . 6460 1 44 . 1 1 4 4 ILE HB H 1 1.398 0.02 . 1 . . . . . . . . 6460 1 45 . 1 1 4 4 ILE CG1 C 13 27.310 0.30 . 2 . . . . . . . . 6460 1 46 . 1 1 4 4 ILE HG13 H 1 1.231 0.02 . 1 . . . . . . . . 6460 1 47 . 1 1 4 4 ILE CD1 C 13 14.660 0.30 . 1 . . . . . . . . 6460 1 48 . 1 1 4 4 ILE HD11 H 1 0.488 0.02 . 1 . . . . . . . . 6460 1 49 . 1 1 4 4 ILE HD12 H 1 0.488 0.02 . 1 . . . . . . . . 6460 1 50 . 1 1 4 4 ILE HD13 H 1 0.488 0.02 . 1 . . . . . . . . 6460 1 51 . 1 1 4 4 ILE CG2 C 13 17.350 0.30 . 2 . . . . . . . . 6460 1 52 . 1 1 4 4 ILE HG21 H 1 0.522 0.02 . 1 . . . . . . . . 6460 1 53 . 1 1 4 4 ILE HG22 H 1 0.522 0.02 . 1 . . . . . . . . 6460 1 54 . 1 1 4 4 ILE HG23 H 1 0.522 0.02 . 1 . . . . . . . . 6460 1 55 . 1 1 4 4 ILE C C 13 174.660 0.30 . 1 . . . . . . . . 6460 1 56 . 1 1 5 5 PHE N N 15 125.230 0.30 . 1 . . . . . . . . 6460 1 57 . 1 1 5 5 PHE H H 1 8.346 0.02 . 1 . . . . . . . . 6460 1 58 . 1 1 5 5 PHE CA C 13 57.080 0.30 . 1 . . . . . . . . 6460 1 59 . 1 1 5 5 PHE HA H 1 5.515 0.02 . 1 . . . . . . . . 6460 1 60 . 1 1 5 5 PHE CB C 13 42.450 0.30 . 1 . . . . . . . . 6460 1 61 . 1 1 5 5 PHE HB3 H 1 2.720 0.02 . 2 . . . . . . . . 6460 1 62 . 1 1 5 5 PHE HD1 H 1 6.952 0.02 . 3 . . . . . . . . 6460 1 63 . 1 1 5 5 PHE HE1 H 1 7.186 0.02 . 3 . . . . . . . . 6460 1 64 . 1 1 5 5 PHE C C 13 176.190 0.30 . 1 . . . . . . . . 6460 1 65 . 1 1 6 6 VAL N N 15 120.390 0.30 . 1 . . . . . . . . 6460 1 66 . 1 1 6 6 VAL H H 1 8.433 0.02 . 1 . . . . . . . . 6460 1 67 . 1 1 6 6 VAL CA C 13 60.750 0.30 . 1 . . . . . . . . 6460 1 68 . 1 1 6 6 VAL HA H 1 5.582 0.02 . 1 . . . . . . . . 6460 1 69 . 1 1 6 6 VAL CB C 13 36.700 0.30 . 1 . . . . . . . . 6460 1 70 . 1 1 6 6 VAL HB H 1 1.480 0.02 . 1 . . . . . . . . 6460 1 71 . 1 1 6 6 VAL CG2 C 13 23.200 0.30 . 2 . . . . . . . . 6460 1 72 . 1 1 6 6 VAL HG21 H 1 0.887 0.02 . 1 . . . . . . . . 6460 1 73 . 1 1 6 6 VAL HG22 H 1 0.887 0.02 . 1 . . . . . . . . 6460 1 74 . 1 1 6 6 VAL HG23 H 1 0.887 0.02 . 1 . . . . . . . . 6460 1 75 . 1 1 6 6 VAL CG1 C 13 22.840 0.30 . 2 . . . . . . . . 6460 1 76 . 1 1 6 6 VAL HG11 H 1 0.638 0.02 . 1 . . . . . . . . 6460 1 77 . 1 1 6 6 VAL HG12 H 1 0.638 0.02 . 1 . . . . . . . . 6460 1 78 . 1 1 6 6 VAL HG13 H 1 0.638 0.02 . 1 . . . . . . . . 6460 1 79 . 1 1 6 6 VAL C C 13 175.130 0.30 . 1 . . . . . . . . 6460 1 80 . 1 1 7 7 CYS N N 15 123.810 0.30 . 1 . . . . . . . . 6460 1 81 . 1 1 7 7 CYS H H 1 7.662 0.02 . 1 . . . . . . . . 6460 1 82 . 1 1 7 7 CYS CA C 13 57.910 0.30 . 1 . . . . . . . . 6460 1 83 . 1 1 7 7 CYS HA H 1 4.301 0.02 . 1 . . . . . . . . 6460 1 84 . 1 1 7 7 CYS CB C 13 31.000 0.30 . 1 . . . . . . . . 6460 1 85 . 1 1 7 7 CYS HB3 H 1 3.096 0.02 . 2 . . . . . . . . 6460 1 86 . 1 1 7 7 CYS C C 13 174.260 0.30 . 1 . . . . . . . . 6460 1 87 . 1 1 8 8 THR CA C 13 66.220 0.30 . 1 . . . . . . . . 6460 1 88 . 1 1 8 8 THR HA H 1 4.125 0.02 . 1 . . . . . . . . 6460 1 89 . 1 1 8 8 THR CB C 13 67.730 0.30 . 1 . . . . . . . . 6460 1 90 . 1 1 8 8 THR HB H 1 4.618 0.02 . 1 . . . . . . . . 6460 1 91 . 1 1 8 8 THR CG2 C 13 23.510 0.30 . 1 . . . . . . . . 6460 1 92 . 1 1 8 8 THR HG21 H 1 1.330 0.02 . 1 . . . . . . . . 6460 1 93 . 1 1 8 8 THR HG22 H 1 1.330 0.02 . 1 . . . . . . . . 6460 1 94 . 1 1 8 8 THR HG23 H 1 1.330 0.02 . 1 . . . . . . . . 6460 1 95 . 1 1 9 9 GLY H H 1 7.643 0.02 . 9 . . . . . . . . 6460 1 96 . 1 1 9 9 GLY CA C 13 45.690 0.30 . 1 . . . . . . . . 6460 1 97 . 1 1 9 9 GLY HA3 H 1 4.286 0.02 . 2 . . . . . . . . 6460 1 98 . 1 1 9 9 GLY HA2 H 1 3.878 0.02 . 2 . . . . . . . . 6460 1 99 . 1 1 9 9 GLY C C 13 174.570 0.30 . 1 . . . . . . . . 6460 1 100 . 1 1 10 10 ASN N N 15 119.380 0.30 . 1 . . . . . . . . 6460 1 101 . 1 1 10 10 ASN H H 1 8.654 0.02 . 1 . . . . . . . . 6460 1 102 . 1 1 10 10 ASN CA C 13 55.300 0.30 . 1 . . . . . . . . 6460 1 103 . 1 1 10 10 ASN HA H 1 3.972 0.02 . 1 . . . . . . . . 6460 1 104 . 1 1 10 10 ASN CB C 13 40.690 0.30 . 1 . . . . . . . . 6460 1 105 . 1 1 10 10 ASN HB3 H 1 3.092 0.02 . 2 . . . . . . . . 6460 1 106 . 1 1 10 10 ASN HB2 H 1 2.029 0.02 . 2 . . . . . . . . 6460 1 107 . 1 1 11 11 THR H H 1 8.198 0.02 . 1 . . . . . . . . 6460 1 108 . 1 1 11 11 THR CA C 13 62.930 0.30 . 1 . . . . . . . . 6460 1 109 . 1 1 11 11 THR HA H 1 4.454 0.02 . 1 . . . . . . . . 6460 1 110 . 1 1 11 11 THR CB C 13 70.780 0.30 . 1 . . . . . . . . 6460 1 111 . 1 1 11 11 THR HB H 1 4.666 0.02 . 1 . . . . . . . . 6460 1 112 . 1 1 11 11 THR CG2 C 13 20.950 0.30 . 1 . . . . . . . . 6460 1 113 . 1 1 11 11 THR HG21 H 1 1.078 0.02 . 1 . . . . . . . . 6460 1 114 . 1 1 11 11 THR HG22 H 1 1.078 0.02 . 1 . . . . . . . . 6460 1 115 . 1 1 11 11 THR HG23 H 1 1.078 0.02 . 1 . . . . . . . . 6460 1 116 . 1 1 13 13 ARG H H 1 8.478 0.02 . 9 . . . . . . . . 6460 1 117 . 1 1 13 13 ARG HA H 1 3.214 0.02 . 9 . . . . . . . . 6460 1 118 . 1 1 13 13 ARG CB C 13 26.650 0.30 . 1 . . . . . . . . 6460 1 119 . 1 1 13 13 ARG HB3 H 1 1.520 0.02 . 2 . . . . . . . . 6460 1 120 . 1 1 13 13 ARG CG C 13 29.920 0.30 . 1 . . . . . . . . 6460 1 121 . 1 1 13 13 ARG HG3 H 1 1.804 0.02 . 2 . . . . . . . . 6460 1 122 . 1 1 13 13 ARG CD C 13 42.390 0.30 . 1 . . . . . . . . 6460 1 123 . 1 1 13 13 ARG HD3 H 1 3.140 0.02 . 2 . . . . . . . . 6460 1 124 . 1 1 13 13 ARG HD2 H 1 3.068 0.02 . 2 . . . . . . . . 6460 1 125 . 1 1 13 13 ARG NE N 15 83.607 0.30 . 5 . . . . . . . . 6460 1 126 . 1 1 13 13 ARG HE H 1 7.064 0.02 . 5 . . . . . . . . 6460 1 127 . 1 1 13 13 ARG C C 13 177.515 0.30 . 1 . . . . . . . . 6460 1 128 . 1 1 14 14 SER N N 15 117.260 0.30 . 1 . . . . . . . . 6460 1 129 . 1 1 14 14 SER H H 1 9.690 0.02 . 1 . . . . . . . . 6460 1 130 . 1 1 14 14 SER CA C 13 65.250 0.30 . 1 . . . . . . . . 6460 1 131 . 1 1 14 14 SER HA H 1 4.026 0.02 . 1 . . . . . . . . 6460 1 132 . 1 1 14 14 SER CB C 13 62.050 0.30 . 1 . . . . . . . . 6460 1 133 . 1 1 14 14 SER HB3 H 1 3.884 0.02 . 2 . . . . . . . . 6460 1 134 . 1 1 15 15 PRO CA C 13 65.130 0.30 . 1 . . . . . . . . 6460 1 135 . 1 1 15 15 PRO HA H 1 4.178 0.02 . 1 . . . . . . . . 6460 1 136 . 1 1 15 15 PRO CB C 13 29.800 0.30 . 1 . . . . . . . . 6460 1 137 . 1 1 15 15 PRO HB3 H 1 0.741 0.02 . 2 . . . . . . . . 6460 1 138 . 1 1 15 15 PRO HB2 H 1 1.085 0.02 . 2 . . . . . . . . 6460 1 139 . 1 1 15 15 PRO CG C 13 28.110 0.30 . 1 . . . . . . . . 6460 1 140 . 1 1 15 15 PRO HG3 H 1 1.008 0.02 . 2 . . . . . . . . 6460 1 141 . 1 1 15 15 PRO HG2 H 1 1.362 0.02 . 2 . . . . . . . . 6460 1 142 . 1 1 15 15 PRO CD C 13 50.360 0.30 . 1 . . . . . . . . 6460 1 143 . 1 1 15 15 PRO HD3 H 1 3.487 0.02 . 2 . . . . . . . . 6460 1 144 . 1 1 15 15 PRO HD2 H 1 3.353 0.02 . 2 . . . . . . . . 6460 1 145 . 1 1 15 15 PRO C C 13 179.640 0.30 . 1 . . . . . . . . 6460 1 146 . 1 1 16 16 MET N N 15 115.570 0.30 . 1 . . . . . . . . 6460 1 147 . 1 1 16 16 MET H H 1 6.935 0.02 . 1 . . . . . . . . 6460 1 148 . 1 1 16 16 MET CA C 13 60.500 0.30 . 1 . . . . . . . . 6460 1 149 . 1 1 16 16 MET HA H 1 3.917 0.02 . 1 . . . . . . . . 6460 1 150 . 1 1 16 16 MET CB C 13 34.510 0.30 . 1 . . . . . . . . 6460 1 151 . 1 1 16 16 MET HB3 H 1 2.441 0.02 . 2 . . . . . . . . 6460 1 152 . 1 1 16 16 MET HB2 H 1 1.827 0.02 . 2 . . . . . . . . 6460 1 153 . 1 1 16 16 MET HG2 H 1 0.909 0.02 . 2 . . . . . . . . 6460 1 154 . 1 1 16 16 MET CE C 13 16.300 0.30 . 1 . . . . . . . . 6460 1 155 . 1 1 16 16 MET HE1 H 1 2.118 0.02 . 1 . . . . . . . . 6460 1 156 . 1 1 16 16 MET HE2 H 1 2.118 0.02 . 1 . . . . . . . . 6460 1 157 . 1 1 16 16 MET HE3 H 1 2.118 0.02 . 1 . . . . . . . . 6460 1 158 . 1 1 16 16 MET C C 13 176.930 0.30 . 1 . . . . . . . . 6460 1 159 . 1 1 17 17 ALA N N 15 120.550 0.30 . 1 . . . . . . . . 6460 1 160 . 1 1 17 17 ALA H H 1 8.238 0.02 . 1 . . . . . . . . 6460 1 161 . 1 1 17 17 ALA CA C 13 54.680 0.30 . 1 . . . . . . . . 6460 1 162 . 1 1 17 17 ALA HA H 1 3.564 0.02 . 1 . . . . . . . . 6460 1 163 . 1 1 17 17 ALA CB C 13 17.030 0.30 . 1 . . . . . . . . 6460 1 164 . 1 1 17 17 ALA HB1 H 1 0.535 0.02 . 1 . . . . . . . . 6460 1 165 . 1 1 17 17 ALA HB2 H 1 0.535 0.02 . 1 . . . . . . . . 6460 1 166 . 1 1 17 17 ALA HB3 H 1 0.535 0.02 . 1 . . . . . . . . 6460 1 167 . 1 1 17 17 ALA C C 13 177.260 0.30 . 1 . . . . . . . . 6460 1 168 . 1 1 18 18 GLU N N 15 118.650 0.30 . 1 . . . . . . . . 6460 1 169 . 1 1 18 18 GLU H H 1 8.042 0.02 . 1 . . . . . . . . 6460 1 170 . 1 1 18 18 GLU CA C 13 59.430 0.30 . 1 . . . . . . . . 6460 1 171 . 1 1 18 18 GLU HA H 1 3.820 0.02 . 1 . . . . . . . . 6460 1 172 . 1 1 18 18 GLU CB C 13 30.470 0.30 . 1 . . . . . . . . 6460 1 173 . 1 1 18 18 GLU HB3 H 1 2.237 0.02 . 2 . . . . . . . . 6460 1 174 . 1 1 18 18 GLU HB2 H 1 1.960 0.02 . 2 . . . . . . . . 6460 1 175 . 1 1 18 18 GLU HG2 H 1 2.092 0.02 . 2 . . . . . . . . 6460 1 176 . 1 1 18 18 GLU C C 13 176.750 0.30 . 1 . . . . . . . . 6460 1 177 . 1 1 19 19 ALA N N 15 120.460 0.30 . 1 . . . . . . . . 6460 1 178 . 1 1 19 19 ALA H H 1 7.655 0.02 . 1 . . . . . . . . 6460 1 179 . 1 1 19 19 ALA CA C 13 55.170 0.30 . 1 . . . . . . . . 6460 1 180 . 1 1 19 19 ALA HA H 1 4.124 0.02 . 1 . . . . . . . . 6460 1 181 . 1 1 19 19 ALA CB C 13 19.420 0.30 . 1 . . . . . . . . 6460 1 182 . 1 1 19 19 ALA HB1 H 1 1.414 0.02 . 1 . . . . . . . . 6460 1 183 . 1 1 19 19 ALA HB2 H 1 1.414 0.02 . 1 . . . . . . . . 6460 1 184 . 1 1 19 19 ALA HB3 H 1 1.414 0.02 . 1 . . . . . . . . 6460 1 185 . 1 1 19 19 ALA C C 13 181.410 0.30 . 1 . . . . . . . . 6460 1 186 . 1 1 20 20 LEU N N 15 117.950 0.30 . 1 . . . . . . . . 6460 1 187 . 1 1 20 20 LEU H H 1 8.540 0.02 . 1 . . . . . . . . 6460 1 188 . 1 1 20 20 LEU CA C 13 57.960 0.30 . 1 . . . . . . . . 6460 1 189 . 1 1 20 20 LEU HA H 1 4.020 0.02 . 1 . . . . . . . . 6460 1 190 . 1 1 20 20 LEU CB C 13 43.920 0.30 . 1 . . . . . . . . 6460 1 191 . 1 1 20 20 LEU HB3 H 1 1.903 0.02 . 2 . . . . . . . . 6460 1 192 . 1 1 20 20 LEU HB2 H 1 1.148 0.02 . 2 . . . . . . . . 6460 1 193 . 1 1 20 20 LEU CG C 13 27.450 0.30 . 1 . . . . . . . . 6460 1 194 . 1 1 20 20 LEU HG H 1 0.808 0.02 . 1 . . . . . . . . 6460 1 195 . 1 1 20 20 LEU CD1 C 13 23.220 0.30 . 2 . . . . . . . . 6460 1 196 . 1 1 20 20 LEU HD11 H 1 0.826 0.02 . 1 . . . . . . . . 6460 1 197 . 1 1 20 20 LEU HD12 H 1 0.826 0.02 . 1 . . . . . . . . 6460 1 198 . 1 1 20 20 LEU HD13 H 1 0.826 0.02 . 1 . . . . . . . . 6460 1 199 . 1 1 20 20 LEU C C 13 179.290 0.30 . 1 . . . . . . . . 6460 1 200 . 1 1 21 21 PHE N N 15 118.930 0.30 . 1 . . . . . . . . 6460 1 201 . 1 1 21 21 PHE H H 1 9.113 0.02 . 1 . . . . . . . . 6460 1 202 . 1 1 21 21 PHE CA C 13 61.560 0.30 . 1 . . . . . . . . 6460 1 203 . 1 1 21 21 PHE HA H 1 4.369 0.02 . 1 . . . . . . . . 6460 1 204 . 1 1 21 21 PHE CB C 13 39.330 0.30 . 1 . . . . . . . . 6460 1 205 . 1 1 21 21 PHE HB3 H 1 3.451 0.02 . 2 . . . . . . . . 6460 1 206 . 1 1 21 21 PHE HB2 H 1 3.085 0.02 . 2 . . . . . . . . 6460 1 207 . 1 1 21 21 PHE HD1 H 1 6.937 0.02 . 3 . . . . . . . . 6460 1 208 . 1 1 21 21 PHE HE1 H 1 7.181 0.02 . 3 . . . . . . . . 6460 1 209 . 1 1 21 21 PHE HD2 H 1 7.346 0.02 . 3 . . . . . . . . 6460 1 210 . 1 1 21 21 PHE C C 13 176.760 0.30 . 1 . . . . . . . . 6460 1 211 . 1 1 22 22 LYS N N 15 118.530 0.30 . 1 . . . . . . . . 6460 1 212 . 1 1 22 22 LYS H H 1 8.479 0.02 . 1 . . . . . . . . 6460 1 213 . 1 1 22 22 LYS CA C 13 61.010 0.30 . 1 . . . . . . . . 6460 1 214 . 1 1 22 22 LYS HA H 1 3.825 0.02 . 1 . . . . . . . . 6460 1 215 . 1 1 22 22 LYS CB C 13 32.790 0.30 . 1 . . . . . . . . 6460 1 216 . 1 1 22 22 LYS HB3 H 1 1.990 0.02 . 2 . . . . . . . . 6460 1 217 . 1 1 22 22 LYS HB2 H 1 1.939 0.02 . 2 . . . . . . . . 6460 1 218 . 1 1 22 22 LYS CG C 13 26.710 0.30 . 1 . . . . . . . . 6460 1 219 . 1 1 22 22 LYS HG3 H 1 1.519 0.02 . 2 . . . . . . . . 6460 1 220 . 1 1 22 22 LYS HG2 H 1 1.791 0.02 . 2 . . . . . . . . 6460 1 221 . 1 1 22 22 LYS CD C 13 30.000 0.30 . 1 . . . . . . . . 6460 1 222 . 1 1 22 22 LYS HD3 H 1 1.802 0.02 . 2 . . . . . . . . 6460 1 223 . 1 1 22 22 LYS CE C 13 42.380 0.30 . 1 . . . . . . . . 6460 1 224 . 1 1 22 22 LYS HE3 H 1 3.152 0.02 . 2 . . . . . . . . 6460 1 225 . 1 1 22 22 LYS HE2 H 1 3.073 0.02 . 2 . . . . . . . . 6460 1 226 . 1 1 22 22 LYS C C 13 179.000 0.30 . 1 . . . . . . . . 6460 1 227 . 1 1 23 23 SER N N 15 112.550 0.30 . 1 . . . . . . . . 6460 1 228 . 1 1 23 23 SER H H 1 7.073 0.02 . 1 . . . . . . . . 6460 1 229 . 1 1 23 23 SER CA C 13 61.370 0.30 . 1 . . . . . . . . 6460 1 230 . 1 1 23 23 SER HA H 1 4.311 0.02 . 1 . . . . . . . . 6460 1 231 . 1 1 23 23 SER CB C 13 63.210 0.30 . 1 . . . . . . . . 6460 1 232 . 1 1 23 23 SER HB3 H 1 4.066 0.02 . 2 . . . . . . . . 6460 1 233 . 1 1 23 23 SER C C 13 177.370 0.30 . 1 . . . . . . . . 6460 1 234 . 1 1 24 24 ILE N N 15 123.360 0.30 . 1 . . . . . . . . 6460 1 235 . 1 1 24 24 ILE H H 1 8.123 0.02 . 1 . . . . . . . . 6460 1 236 . 1 1 24 24 ILE CA C 13 65.240 0.30 . 1 . . . . . . . . 6460 1 237 . 1 1 24 24 ILE HA H 1 3.577 0.02 . 1 . . . . . . . . 6460 1 238 . 1 1 24 24 ILE CB C 13 39.670 0.30 . 1 . . . . . . . . 6460 1 239 . 1 1 24 24 ILE HB H 1 1.611 0.02 . 1 . . . . . . . . 6460 1 240 . 1 1 24 24 ILE CG1 C 13 29.840 0.30 . 2 . . . . . . . . 6460 1 241 . 1 1 24 24 ILE HG13 H 1 1.925 0.02 . 1 . . . . . . . . 6460 1 242 . 1 1 24 24 ILE HG12 H 1 1.040 0.02 . 1 . . . . . . . . 6460 1 243 . 1 1 24 24 ILE CD1 C 13 15.740 0.30 . 1 . . . . . . . . 6460 1 244 . 1 1 24 24 ILE HD11 H 1 0.879 0.02 . 1 . . . . . . . . 6460 1 245 . 1 1 24 24 ILE HD12 H 1 0.879 0.02 . 1 . . . . . . . . 6460 1 246 . 1 1 24 24 ILE HD13 H 1 0.879 0.02 . 1 . . . . . . . . 6460 1 247 . 1 1 24 24 ILE CG2 C 13 17.860 0.30 . 2 . . . . . . . . 6460 1 248 . 1 1 24 24 ILE HG21 H 1 0.846 0.02 . 1 . . . . . . . . 6460 1 249 . 1 1 24 24 ILE HG22 H 1 0.846 0.02 . 1 . . . . . . . . 6460 1 250 . 1 1 24 24 ILE HG23 H 1 0.846 0.02 . 1 . . . . . . . . 6460 1 251 . 1 1 24 24 ILE C C 13 177.580 0.30 . 1 . . . . . . . . 6460 1 252 . 1 1 25 25 ALA N N 15 121.710 0.30 . 1 . . . . . . . . 6460 1 253 . 1 1 25 25 ALA H H 1 9.042 0.02 . 1 . . . . . . . . 6460 1 254 . 1 1 25 25 ALA CA C 13 55.680 0.30 . 1 . . . . . . . . 6460 1 255 . 1 1 25 25 ALA HA H 1 3.542 0.02 . 1 . . . . . . . . 6460 1 256 . 1 1 25 25 ALA CB C 13 17.620 0.30 . 1 . . . . . . . . 6460 1 257 . 1 1 25 25 ALA HB1 H 1 0.962 0.02 . 1 . . . . . . . . 6460 1 258 . 1 1 25 25 ALA HB2 H 1 0.962 0.02 . 1 . . . . . . . . 6460 1 259 . 1 1 25 25 ALA HB3 H 1 0.962 0.02 . 1 . . . . . . . . 6460 1 260 . 1 1 25 25 ALA C C 13 179.580 0.30 . 1 . . . . . . . . 6460 1 261 . 1 1 26 26 GLU N N 15 117.470 0.30 . 1 . . . . . . . . 6460 1 262 . 1 1 26 26 GLU H H 1 7.566 0.02 . 1 . . . . . . . . 6460 1 263 . 1 1 26 26 GLU CA C 13 59.590 0.30 . 1 . . . . . . . . 6460 1 264 . 1 1 26 26 GLU HA H 1 4.096 0.02 . 1 . . . . . . . . 6460 1 265 . 1 1 26 26 GLU CB C 13 29.450 0.30 . 1 . . . . . . . . 6460 1 266 . 1 1 26 26 GLU HB3 H 1 2.147 0.02 . 2 . . . . . . . . 6460 1 267 . 1 1 26 26 GLU CG C 13 36.130 0.30 . 1 . . . . . . . . 6460 1 268 . 1 1 26 26 GLU HG3 H 1 2.346 0.02 . 2 . . . . . . . . 6460 1 269 . 1 1 26 26 GLU C C 13 180.010 0.30 . 1 . . . . . . . . 6460 1 270 . 1 1 27 27 ARG N N 15 120.730 0.30 . 1 . . . . . . . . 6460 1 271 . 1 1 27 27 ARG H H 1 7.594 0.02 . 1 . . . . . . . . 6460 1 272 . 1 1 27 27 ARG CA C 13 59.070 0.30 . 1 . . . . . . . . 6460 1 273 . 1 1 27 27 ARG HA H 1 4.107 0.02 . 1 . . . . . . . . 6460 1 274 . 1 1 27 27 ARG CB C 13 30.030 0.30 . 1 . . . . . . . . 6460 1 275 . 1 1 27 27 ARG HB3 H 1 2.008 0.02 . 2 . . . . . . . . 6460 1 276 . 1 1 27 27 ARG CG C 13 27.540 0.30 . 1 . . . . . . . . 6460 1 277 . 1 1 27 27 ARG HG3 H 1 1.798 0.02 . 2 . . . . . . . . 6460 1 278 . 1 1 27 27 ARG HG2 H 1 1.743 0.02 . 2 . . . . . . . . 6460 1 279 . 1 1 27 27 ARG CD C 13 43.580 0.30 . 1 . . . . . . . . 6460 1 280 . 1 1 27 27 ARG HD3 H 1 3.230 0.02 . 2 . . . . . . . . 6460 1 281 . 1 1 27 27 ARG C C 13 178.520 0.30 . 1 . . . . . . . . 6460 1 282 . 1 1 28 28 GLU N N 15 116.220 0.30 . 1 . . . . . . . . 6460 1 283 . 1 1 28 28 GLU H H 1 8.084 0.02 . 1 . . . . . . . . 6460 1 284 . 1 1 28 28 GLU CA C 13 55.750 0.30 . 1 . . . . . . . . 6460 1 285 . 1 1 28 28 GLU HA H 1 4.333 0.02 . 1 . . . . . . . . 6460 1 286 . 1 1 28 28 GLU CB C 13 30.120 0.30 . 1 . . . . . . . . 6460 1 287 . 1 1 28 28 GLU HB3 H 1 2.184 0.02 . 2 . . . . . . . . 6460 1 288 . 1 1 28 28 GLU HB2 H 1 1.727 0.02 . 2 . . . . . . . . 6460 1 289 . 1 1 28 28 GLU CG C 13 35.780 0.30 . 1 . . . . . . . . 6460 1 290 . 1 1 28 28 GLU HG3 H 1 2.334 0.02 . 2 . . . . . . . . 6460 1 291 . 1 1 28 28 GLU HG2 H 1 2.140 0.02 . 2 . . . . . . . . 6460 1 292 . 1 1 28 28 GLU C C 13 176.550 0.30 . 1 . . . . . . . . 6460 1 293 . 1 1 29 29 GLY N N 15 109.290 0.30 . 1 . . . . . . . . 6460 1 294 . 1 1 29 29 GLY H H 1 7.704 0.02 . 1 . . . . . . . . 6460 1 295 . 1 1 29 29 GLY CA C 13 46.780 0.30 . 1 . . . . . . . . 6460 1 296 . 1 1 29 29 GLY HA3 H 1 3.967 0.02 . 2 . . . . . . . . 6460 1 297 . 1 1 29 29 GLY HA2 H 1 3.889 0.02 . 2 . . . . . . . . 6460 1 298 . 1 1 29 29 GLY C C 13 174.940 0.30 . 1 . . . . . . . . 6460 1 299 . 1 1 30 30 LEU N N 15 120.560 0.30 . 1 . . . . . . . . 6460 1 300 . 1 1 30 30 LEU H H 1 8.145 0.02 . 1 . . . . . . . . 6460 1 301 . 1 1 30 30 LEU CA C 13 53.900 0.30 . 1 . . . . . . . . 6460 1 302 . 1 1 30 30 LEU HA H 1 4.403 0.02 . 1 . . . . . . . . 6460 1 303 . 1 1 30 30 LEU CB C 13 44.130 0.30 . 1 . . . . . . . . 6460 1 304 . 1 1 30 30 LEU HB3 H 1 1.485 0.02 . 2 . . . . . . . . 6460 1 305 . 1 1 30 30 LEU HB2 H 1 1.396 0.02 . 2 . . . . . . . . 6460 1 306 . 1 1 30 30 LEU CG C 13 27.260 0.30 . 1 . . . . . . . . 6460 1 307 . 1 1 30 30 LEU HG H 1 1.485 0.02 . 1 . . . . . . . . 6460 1 308 . 1 1 30 30 LEU CD1 C 13 24.770 0.30 . 2 . . . . . . . . 6460 1 309 . 1 1 30 30 LEU HD11 H 1 0.885 0.02 . 1 . . . . . . . . 6460 1 310 . 1 1 30 30 LEU HD12 H 1 0.885 0.02 . 1 . . . . . . . . 6460 1 311 . 1 1 30 30 LEU HD13 H 1 0.885 0.02 . 1 . . . . . . . . 6460 1 312 . 1 1 30 30 LEU C C 13 175.630 0.30 . 1 . . . . . . . . 6460 1 313 . 1 1 31 31 ASN CA C 13 52.830 0.30 . 1 . . . . . . . . 6460 1 314 . 1 1 31 31 ASN HA H 1 4.857 0.02 . 1 . . . . . . . . 6460 1 315 . 1 1 31 31 ASN CB C 13 37.860 0.30 . 1 . . . . . . . . 6460 1 316 . 1 1 31 31 ASN HB3 H 1 2.860 0.02 . 2 . . . . . . . . 6460 1 317 . 1 1 31 31 ASN HB2 H 1 2.714 0.02 . 2 . . . . . . . . 6460 1 318 . 1 1 31 31 ASN ND2 N 15 113.030 0.30 . 1 . . . . . . . . 6460 1 319 . 1 1 31 31 ASN HD21 H 1 7.589 0.02 . 2 . . . . . . . . 6460 1 320 . 1 1 31 31 ASN HD22 H 1 6.887 0.02 . 2 . . . . . . . . 6460 1 321 . 1 1 32 32 VAL N N 15 119.250 0.30 . 1 . . . . . . . . 6460 1 322 . 1 1 32 32 VAL H H 1 7.784 0.02 . 1 . . . . . . . . 6460 1 323 . 1 1 32 32 VAL CA C 13 59.340 0.30 . 1 . . . . . . . . 6460 1 324 . 1 1 32 32 VAL HA H 1 4.850 0.02 . 1 . . . . . . . . 6460 1 325 . 1 1 32 32 VAL CB C 13 35.460 0.30 . 1 . . . . . . . . 6460 1 326 . 1 1 32 32 VAL HB H 1 1.976 0.02 . 1 . . . . . . . . 6460 1 327 . 1 1 32 32 VAL CG2 C 13 22.120 0.30 . 2 . . . . . . . . 6460 1 328 . 1 1 32 32 VAL HG21 H 1 0.852 0.02 . 1 . . . . . . . . 6460 1 329 . 1 1 32 32 VAL HG22 H 1 0.852 0.02 . 1 . . . . . . . . 6460 1 330 . 1 1 32 32 VAL HG23 H 1 0.852 0.02 . 1 . . . . . . . . 6460 1 331 . 1 1 32 32 VAL CG1 C 13 20.160 0.30 . 2 . . . . . . . . 6460 1 332 . 1 1 32 32 VAL HG11 H 1 0.761 0.02 . 1 . . . . . . . . 6460 1 333 . 1 1 32 32 VAL HG12 H 1 0.761 0.02 . 1 . . . . . . . . 6460 1 334 . 1 1 32 32 VAL HG13 H 1 0.761 0.02 . 1 . . . . . . . . 6460 1 335 . 1 1 32 32 VAL C C 13 173.520 0.30 . 1 . . . . . . . . 6460 1 336 . 1 1 33 33 ASN N N 15 123.860 0.30 . 1 . . . . . . . . 6460 1 337 . 1 1 33 33 ASN H H 1 8.771 0.02 . 1 . . . . . . . . 6460 1 338 . 1 1 33 33 ASN CA C 13 52.530 0.30 . 1 . . . . . . . . 6460 1 339 . 1 1 33 33 ASN HA H 1 5.113 0.02 . 1 . . . . . . . . 6460 1 340 . 1 1 33 33 ASN CB C 13 39.900 0.30 . 1 . . . . . . . . 6460 1 341 . 1 1 33 33 ASN HB3 H 1 2.788 0.02 . 2 . . . . . . . . 6460 1 342 . 1 1 33 33 ASN ND2 N 15 115.860 0.30 . 1 . . . . . . . . 6460 1 343 . 1 1 33 33 ASN HD21 H 1 7.928 0.02 . 2 . . . . . . . . 6460 1 344 . 1 1 33 33 ASN HD22 H 1 6.805 0.02 . 2 . . . . . . . . 6460 1 345 . 1 1 33 33 ASN C C 13 173.960 0.30 . 1 . . . . . . . . 6460 1 346 . 1 1 34 34 VAL N N 15 124.690 0.30 . 1 . . . . . . . . 6460 1 347 . 1 1 34 34 VAL H H 1 8.851 0.02 . 1 . . . . . . . . 6460 1 348 . 1 1 34 34 VAL CA C 13 60.730 0.30 . 1 . . . . . . . . 6460 1 349 . 1 1 34 34 VAL HA H 1 5.090 0.02 . 1 . . . . . . . . 6460 1 350 . 1 1 34 34 VAL CB C 13 34.630 0.30 . 1 . . . . . . . . 6460 1 351 . 1 1 34 34 VAL HB H 1 2.083 0.02 . 1 . . . . . . . . 6460 1 352 . 1 1 34 34 VAL CG2 C 13 23.940 0.30 . 2 . . . . . . . . 6460 1 353 . 1 1 34 34 VAL HG21 H 1 1.411 0.02 . 1 . . . . . . . . 6460 1 354 . 1 1 34 34 VAL HG22 H 1 1.411 0.02 . 1 . . . . . . . . 6460 1 355 . 1 1 34 34 VAL HG23 H 1 1.411 0.02 . 1 . . . . . . . . 6460 1 356 . 1 1 34 34 VAL CG1 C 13 23.010 0.30 . 2 . . . . . . . . 6460 1 357 . 1 1 34 34 VAL HG11 H 1 1.091 0.02 . 1 . . . . . . . . 6460 1 358 . 1 1 34 34 VAL HG12 H 1 1.091 0.02 . 1 . . . . . . . . 6460 1 359 . 1 1 34 34 VAL HG13 H 1 1.091 0.02 . 1 . . . . . . . . 6460 1 360 . 1 1 34 34 VAL C C 13 174.120 0.30 . 1 . . . . . . . . 6460 1 361 . 1 1 35 35 ARG NE N 15 84.970 0.30 . 5 . . . . . . . . 6460 1 362 . 1 1 35 35 ARG N N 15 124.410 0.30 . 1 . . . . . . . . 6460 1 363 . 1 1 35 35 ARG H H 1 8.414 0.02 . 1 . . . . . . . . 6460 1 364 . 1 1 35 35 ARG CA C 13 54.270 0.30 . 1 . . . . . . . . 6460 1 365 . 1 1 35 35 ARG HA H 1 5.006 0.02 . 1 . . . . . . . . 6460 1 366 . 1 1 35 35 ARG CB C 13 35.460 0.30 . 1 . . . . . . . . 6460 1 367 . 1 1 35 35 ARG HB3 H 1 2.039 0.02 . 2 . . . . . . . . 6460 1 368 . 1 1 35 35 ARG HB2 H 1 1.749 0.02 . 2 . . . . . . . . 6460 1 369 . 1 1 35 35 ARG CG C 13 27.080 0.30 . 1 . . . . . . . . 6460 1 370 . 1 1 35 35 ARG HG3 H 1 1.767 0.02 . 2 . . . . . . . . 6460 1 371 . 1 1 35 35 ARG HG2 H 1 1.482 0.02 . 2 . . . . . . . . 6460 1 372 . 1 1 35 35 ARG CD C 13 43.580 0.30 . 1 . . . . . . . . 6460 1 373 . 1 1 35 35 ARG HD3 H 1 3.176 0.02 . 2 . . . . . . . . 6460 1 374 . 1 1 35 35 ARG HD2 H 1 3.058 0.02 . 2 . . . . . . . . 6460 1 375 . 1 1 35 35 ARG HE H 1 7.554 0.02 . 5 . . . . . . . . 6460 1 376 . 1 1 35 35 ARG C C 13 174.770 0.30 . 1 . . . . . . . . 6460 1 377 . 1 1 36 36 SER N N 15 113.860 0.30 . 1 . . . . . . . . 6460 1 378 . 1 1 36 36 SER H H 1 8.612 0.02 . 1 . . . . . . . . 6460 1 379 . 1 1 36 36 SER CA C 13 57.780 0.30 . 1 . . . . . . . . 6460 1 380 . 1 1 36 36 SER HA H 1 5.742 0.02 . 1 . . . . . . . . 6460 1 381 . 1 1 36 36 SER CB C 13 66.810 0.30 . 1 . . . . . . . . 6460 1 382 . 1 1 36 36 SER HB3 H 1 3.931 0.02 . 2 . . . . . . . . 6460 1 383 . 1 1 36 36 SER HB2 H 1 3.597 0.02 . 2 . . . . . . . . 6460 1 384 . 1 1 36 36 SER C C 13 171.950 0.30 . 1 . . . . . . . . 6460 1 385 . 1 1 37 37 ALA N N 15 120.470 0.30 . 1 . . . . . . . . 6460 1 386 . 1 1 37 37 ALA H H 1 8.614 0.02 . 1 . . . . . . . . 6460 1 387 . 1 1 37 37 ALA CA C 13 51.320 0.30 . 1 . . . . . . . . 6460 1 388 . 1 1 37 37 ALA HA H 1 4.693 0.02 . 1 . . . . . . . . 6460 1 389 . 1 1 37 37 ALA CB C 13 22.610 0.30 . 1 . . . . . . . . 6460 1 390 . 1 1 37 37 ALA HB1 H 1 1.049 0.02 . 1 . . . . . . . . 6460 1 391 . 1 1 37 37 ALA HB2 H 1 1.049 0.02 . 1 . . . . . . . . 6460 1 392 . 1 1 37 37 ALA HB3 H 1 1.049 0.02 . 1 . . . . . . . . 6460 1 393 . 1 1 37 37 ALA C C 13 175.250 0.30 . 1 . . . . . . . . 6460 1 394 . 1 1 38 38 GLY N N 15 103.430 0.30 . 1 . . . . . . . . 6460 1 395 . 1 1 38 38 GLY H H 1 8.628 0.02 . 1 . . . . . . . . 6460 1 396 . 1 1 38 38 GLY CA C 13 44.040 0.30 . 1 . . . . . . . . 6460 1 397 . 1 1 38 38 GLY HA3 H 1 5.315 0.02 . 2 . . . . . . . . 6460 1 398 . 1 1 38 38 GLY HA2 H 1 3.011 0.02 . 2 . . . . . . . . 6460 1 399 . 1 1 38 38 GLY C C 13 174.240 0.30 . 1 . . . . . . . . 6460 1 400 . 1 1 39 39 VAL N N 15 119.350 0.30 . 1 . . . . . . . . 6460 1 401 . 1 1 39 39 VAL H H 1 8.205 0.02 . 1 . . . . . . . . 6460 1 402 . 1 1 39 39 VAL CA C 13 63.900 0.30 . 1 . . . . . . . . 6460 1 403 . 1 1 39 39 VAL HA H 1 4.117 0.02 . 1 . . . . . . . . 6460 1 404 . 1 1 39 39 VAL CB C 13 31.960 0.30 . 1 . . . . . . . . 6460 1 405 . 1 1 39 39 VAL HB H 1 1.829 0.02 . 1 . . . . . . . . 6460 1 406 . 1 1 39 39 VAL CG2 C 13 22.840 0.30 . 2 . . . . . . . . 6460 1 407 . 1 1 39 39 VAL HG21 H 1 0.647 0.02 . 1 . . . . . . . . 6460 1 408 . 1 1 39 39 VAL HG22 H 1 0.647 0.02 . 1 . . . . . . . . 6460 1 409 . 1 1 39 39 VAL HG23 H 1 0.647 0.02 . 1 . . . . . . . . 6460 1 410 . 1 1 39 39 VAL CG1 C 13 20.440 0.30 . 2 . . . . . . . . 6460 1 411 . 1 1 39 39 VAL HG11 H 1 0.746 0.02 . 1 . . . . . . . . 6460 1 412 . 1 1 39 39 VAL HG12 H 1 0.746 0.02 . 1 . . . . . . . . 6460 1 413 . 1 1 39 39 VAL HG13 H 1 0.746 0.02 . 1 . . . . . . . . 6460 1 414 . 1 1 39 39 VAL C C 13 175.760 0.30 . 1 . . . . . . . . 6460 1 415 . 1 1 40 40 PHE N N 15 121.330 0.30 . 1 . . . . . . . . 6460 1 416 . 1 1 40 40 PHE H H 1 8.686 0.02 . 1 . . . . . . . . 6460 1 417 . 1 1 40 40 PHE CA C 13 55.980 0.30 . 1 . . . . . . . . 6460 1 418 . 1 1 40 40 PHE HA H 1 4.976 0.02 . 1 . . . . . . . . 6460 1 419 . 1 1 40 40 PHE CB C 13 39.000 0.30 . 1 . . . . . . . . 6460 1 420 . 1 1 40 40 PHE HB3 H 1 3.327 0.02 . 2 . . . . . . . . 6460 1 421 . 1 1 40 40 PHE HB2 H 1 2.649 0.02 . 2 . . . . . . . . 6460 1 422 . 1 1 40 40 PHE HD1 H 1 7.263 0.02 . 3 . . . . . . . . 6460 1 423 . 1 1 40 40 PHE C C 13 174.960 0.30 . 1 . . . . . . . . 6460 1 424 . 1 1 41 41 ALA N N 15 123.120 0.30 . 1 . . . . . . . . 6460 1 425 . 1 1 41 41 ALA H H 1 7.767 0.02 . 1 . . . . . . . . 6460 1 426 . 1 1 41 41 ALA CA C 13 52.040 0.30 . 1 . . . . . . . . 6460 1 427 . 1 1 41 41 ALA HA H 1 4.289 0.02 . 1 . . . . . . . . 6460 1 428 . 1 1 41 41 ALA CB C 13 20.270 0.30 . 1 . . . . . . . . 6460 1 429 . 1 1 41 41 ALA HB1 H 1 1.045 0.02 . 1 . . . . . . . . 6460 1 430 . 1 1 41 41 ALA HB2 H 1 1.045 0.02 . 1 . . . . . . . . 6460 1 431 . 1 1 41 41 ALA HB3 H 1 1.045 0.02 . 1 . . . . . . . . 6460 1 432 . 1 1 41 41 ALA C C 13 177.150 0.30 . 1 . . . . . . . . 6460 1 433 . 1 1 42 42 SER N N 15 119.200 0.30 . 1 . . . . . . . . 6460 1 434 . 1 1 42 42 SER H H 1 8.795 0.02 . 1 . . . . . . . . 6460 1 435 . 1 1 42 42 SER CA C 13 55.970 0.30 . 1 . . . . . . . . 6460 1 436 . 1 1 42 42 SER HA H 1 4.838 0.02 . 1 . . . . . . . . 6460 1 437 . 1 1 42 42 SER CB C 13 63.880 0.30 . 1 . . . . . . . . 6460 1 438 . 1 1 42 42 SER HB3 H 1 3.835 0.02 . 2 . . . . . . . . 6460 1 439 . 1 1 42 42 SER C C 13 173.540 0.30 . 1 . . . . . . . . 6460 1 440 . 1 1 43 43 PRO CA C 13 63.580 0.30 . 1 . . . . . . . . 6460 1 441 . 1 1 43 43 PRO HA H 1 4.510 0.02 . 1 . . . . . . . . 6460 1 442 . 1 1 43 43 PRO CB C 13 32.050 0.30 . 1 . . . . . . . . 6460 1 443 . 1 1 43 43 PRO HB3 H 1 2.264 0.02 . 2 . . . . . . . . 6460 1 444 . 1 1 43 43 PRO HB2 H 1 1.970 0.02 . 2 . . . . . . . . 6460 1 445 . 1 1 43 43 PRO CG C 13 27.410 0.30 . 1 . . . . . . . . 6460 1 446 . 1 1 43 43 PRO HG3 H 1 2.009 0.02 . 2 . . . . . . . . 6460 1 447 . 1 1 43 43 PRO CD C 13 50.910 0.30 . 1 . . . . . . . . 6460 1 448 . 1 1 43 43 PRO HD3 H 1 3.863 0.02 . 2 . . . . . . . . 6460 1 449 . 1 1 43 43 PRO HD2 H 1 3.756 0.02 . 2 . . . . . . . . 6460 1 450 . 1 1 43 43 PRO C C 13 176.950 0.30 . 1 . . . . . . . . 6460 1 451 . 1 1 44 44 ASN N N 15 116.610 0.30 . 1 . . . . . . . . 6460 1 452 . 1 1 44 44 ASN H H 1 8.494 0.02 . 1 . . . . . . . . 6460 1 453 . 1 1 44 44 ASN CA C 13 53.900 0.30 . 1 . . . . . . . . 6460 1 454 . 1 1 44 44 ASN HA H 1 4.517 0.02 . 1 . . . . . . . . 6460 1 455 . 1 1 44 44 ASN CB C 13 38.140 0.30 . 1 . . . . . . . . 6460 1 456 . 1 1 44 44 ASN HB3 H 1 2.940 0.02 . 2 . . . . . . . . 6460 1 457 . 1 1 44 44 ASN HB2 H 1 2.818 0.02 . 2 . . . . . . . . 6460 1 458 . 1 1 44 44 ASN ND2 N 15 114.000 0.30 . 1 . . . . . . . . 6460 1 459 . 1 1 44 44 ASN HD21 H 1 7.596 0.02 . 2 . . . . . . . . 6460 1 460 . 1 1 44 44 ASN HD22 H 1 6.938 0.02 . 2 . . . . . . . . 6460 1 461 . 1 1 44 44 ASN C C 13 175.240 0.30 . 1 . . . . . . . . 6460 1 462 . 1 1 45 45 GLY N N 15 108.850 0.30 . 1 . . . . . . . . 6460 1 463 . 1 1 45 45 GLY H H 1 7.943 0.02 . 1 . . . . . . . . 6460 1 464 . 1 1 45 45 GLY CA C 13 45.530 0.30 . 1 . . . . . . . . 6460 1 465 . 1 1 45 45 GLY HA3 H 1 4.187 0.02 . 2 . . . . . . . . 6460 1 466 . 1 1 45 45 GLY HA2 H 1 3.681 0.02 . 2 . . . . . . . . 6460 1 467 . 1 1 45 45 GLY C C 13 173.370 0.30 . 1 . . . . . . . . 6460 1 468 . 1 1 46 46 LYS N N 15 120.860 0.30 . 1 . . . . . . . . 6460 1 469 . 1 1 46 46 LYS H H 1 8.114 0.02 . 1 . . . . . . . . 6460 1 470 . 1 1 46 46 LYS CA C 13 54.830 0.30 . 1 . . . . . . . . 6460 1 471 . 1 1 46 46 LYS HA H 1 4.906 0.02 . 1 . . . . . . . . 6460 1 472 . 1 1 46 46 LYS CB C 13 35.100 0.30 . 1 . . . . . . . . 6460 1 473 . 1 1 46 46 LYS HB3 H 1 2.095 0.02 . 2 . . . . . . . . 6460 1 474 . 1 1 46 46 LYS HB2 H 1 1.759 0.02 . 2 . . . . . . . . 6460 1 475 . 1 1 46 46 LYS CG C 13 24.590 0.30 . 1 . . . . . . . . 6460 1 476 . 1 1 46 46 LYS HG3 H 1 1.528 0.02 . 2 . . . . . . . . 6460 1 477 . 1 1 46 46 LYS CD C 13 29.210 0.30 . 1 . . . . . . . . 6460 1 478 . 1 1 46 46 LYS HD3 H 1 1.750 0.02 . 2 . . . . . . . . 6460 1 479 . 1 1 46 46 LYS CE C 13 42.200 0.30 . 1 . . . . . . . . 6460 1 480 . 1 1 46 46 LYS HE3 H 1 3.052 0.02 . 2 . . . . . . . . 6460 1 481 . 1 1 46 46 LYS C C 13 176.570 0.30 . 1 . . . . . . . . 6460 1 482 . 1 1 47 47 ALA N N 15 120.650 0.30 . 1 . . . . . . . . 6460 1 483 . 1 1 47 47 ALA H H 1 7.911 0.02 . 1 . . . . . . . . 6460 1 484 . 1 1 47 47 ALA CA C 13 52.240 0.30 . 1 . . . . . . . . 6460 1 485 . 1 1 47 47 ALA HA H 1 4.802 0.02 . 1 . . . . . . . . 6460 1 486 . 1 1 47 47 ALA CB C 13 19.060 0.30 . 1 . . . . . . . . 6460 1 487 . 1 1 47 47 ALA HB1 H 1 1.322 0.02 . 1 . . . . . . . . 6460 1 488 . 1 1 47 47 ALA HB2 H 1 1.322 0.02 . 1 . . . . . . . . 6460 1 489 . 1 1 47 47 ALA HB3 H 1 1.322 0.02 . 1 . . . . . . . . 6460 1 490 . 1 1 47 47 ALA C C 13 177.680 0.30 . 1 . . . . . . . . 6460 1 491 . 1 1 48 48 THR N N 15 116.750 0.30 . 1 . . . . . . . . 6460 1 492 . 1 1 48 48 THR H H 1 8.239 0.02 . 1 . . . . . . . . 6460 1 493 . 1 1 48 48 THR CA C 13 60.540 0.30 . 1 . . . . . . . . 6460 1 494 . 1 1 48 48 THR HA H 1 4.387 0.02 . 1 . . . . . . . . 6460 1 495 . 1 1 48 48 THR CB C 13 68.800 0.30 . 1 . . . . . . . . 6460 1 496 . 1 1 48 48 THR HB H 1 4.345 0.02 . 1 . . . . . . . . 6460 1 497 . 1 1 48 48 THR CG2 C 13 23.020 0.30 . 1 . . . . . . . . 6460 1 498 . 1 1 48 48 THR HG21 H 1 1.475 0.02 . 1 . . . . . . . . 6460 1 499 . 1 1 48 48 THR HG22 H 1 1.475 0.02 . 1 . . . . . . . . 6460 1 500 . 1 1 48 48 THR HG23 H 1 1.475 0.02 . 1 . . . . . . . . 6460 1 501 . 1 1 48 48 THR C C 13 174.090 0.30 . 1 . . . . . . . . 6460 1 502 . 1 1 49 49 PRO HA H 1 4.678 0.02 . 1 . . . . . . . . 6460 1 503 . 1 1 49 49 PRO HB2 H 1 2.027 0.02 . 2 . . . . . . . . 6460 1 504 . 1 1 49 49 PRO HG2 H 1 2.538 0.02 . 2 . . . . . . . . 6460 1 505 . 1 1 49 49 PRO CD C 13 50.788 0.30 . 1 . . . . . . . . 6460 1 506 . 1 1 49 49 PRO HD3 H 1 3.724 0.02 . 2 . . . . . . . . 6460 1 507 . 1 1 49 49 PRO HD2 H 1 3.983 0.02 . 2 . . . . . . . . 6460 1 508 . 1 1 50 50 HIS H H 1 7.400 0.02 . 9 . . . . . . . . 6460 1 509 . 1 1 50 50 HIS CA C 13 57.130 0.30 . 1 . . . . . . . . 6460 1 510 . 1 1 50 50 HIS HA H 1 4.471 0.02 . 1 . . . . . . . . 6460 1 511 . 1 1 50 50 HIS CB C 13 29.450 0.30 . 1 . . . . . . . . 6460 1 512 . 1 1 50 50 HIS HB3 H 1 2.159 0.02 . 2 . . . . . . . . 6460 1 513 . 1 1 50 50 HIS HB2 H 1 1.367 0.02 . 2 . . . . . . . . 6460 1 514 . 1 1 50 50 HIS HD2 H 1 6.788 0.02 . 1 . . . . . . . . 6460 1 515 . 1 1 50 50 HIS C C 13 177.410 0.30 . 1 . . . . . . . . 6460 1 516 . 1 1 51 51 ALA N N 15 123.080 0.30 . 1 . . . . . . . . 6460 1 517 . 1 1 51 51 ALA H H 1 7.257 0.02 . 1 . . . . . . . . 6460 1 518 . 1 1 51 51 ALA CA C 13 55.840 0.30 . 1 . . . . . . . . 6460 1 519 . 1 1 51 51 ALA HA H 1 4.178 0.02 . 1 . . . . . . . . 6460 1 520 . 1 1 51 51 ALA CB C 13 18.350 0.30 . 1 . . . . . . . . 6460 1 521 . 1 1 51 51 ALA HB1 H 1 1.640 0.02 . 1 . . . . . . . . 6460 1 522 . 1 1 51 51 ALA HB2 H 1 1.640 0.02 . 1 . . . . . . . . 6460 1 523 . 1 1 51 51 ALA HB3 H 1 1.640 0.02 . 1 . . . . . . . . 6460 1 524 . 1 1 51 51 ALA C C 13 178.870 0.30 . 1 . . . . . . . . 6460 1 525 . 1 1 52 52 VAL N N 15 117.790 0.30 . 1 . . . . . . . . 6460 1 526 . 1 1 52 52 VAL H H 1 7.534 0.02 . 1 . . . . . . . . 6460 1 527 . 1 1 52 52 VAL CA C 13 66.410 0.30 . 1 . . . . . . . . 6460 1 528 . 1 1 52 52 VAL HA H 1 3.527 0.02 . 1 . . . . . . . . 6460 1 529 . 1 1 52 52 VAL CB C 13 32.150 0.30 . 1 . . . . . . . . 6460 1 530 . 1 1 52 52 VAL HB H 1 2.328 0.02 . 1 . . . . . . . . 6460 1 531 . 1 1 52 52 VAL CG2 C 13 22.400 0.30 . 2 . . . . . . . . 6460 1 532 . 1 1 52 52 VAL HG21 H 1 1.068 0.02 . 1 . . . . . . . . 6460 1 533 . 1 1 52 52 VAL HG22 H 1 1.068 0.02 . 1 . . . . . . . . 6460 1 534 . 1 1 52 52 VAL HG23 H 1 1.068 0.02 . 1 . . . . . . . . 6460 1 535 . 1 1 52 52 VAL CG1 C 13 21.180 0.30 . 2 . . . . . . . . 6460 1 536 . 1 1 52 52 VAL HG11 H 1 1.031 0.02 . 1 . . . . . . . . 6460 1 537 . 1 1 52 52 VAL HG12 H 1 1.031 0.02 . 1 . . . . . . . . 6460 1 538 . 1 1 52 52 VAL HG13 H 1 1.031 0.02 . 1 . . . . . . . . 6460 1 539 . 1 1 52 52 VAL C C 13 180.340 0.30 . 1 . . . . . . . . 6460 1 540 . 1 1 53 53 GLU N N 15 122.510 0.30 . 1 . . . . . . . . 6460 1 541 . 1 1 53 53 GLU H H 1 8.671 0.02 . 1 . . . . . . . . 6460 1 542 . 1 1 53 53 GLU CA C 13 59.450 0.30 . 1 . . . . . . . . 6460 1 543 . 1 1 53 53 GLU HA H 1 4.134 0.02 . 1 . . . . . . . . 6460 1 544 . 1 1 53 53 GLU CB C 13 29.840 0.30 . 1 . . . . . . . . 6460 1 545 . 1 1 53 53 GLU HB3 H 1 2.156 0.02 . 2 . . . . . . . . 6460 1 546 . 1 1 53 53 GLU HB2 H 1 2.006 0.02 . 2 . . . . . . . . 6460 1 547 . 1 1 53 53 GLU CG C 13 35.830 0.30 . 1 . . . . . . . . 6460 1 548 . 1 1 53 53 GLU HG3 H 1 2.359 0.02 . 2 . . . . . . . . 6460 1 549 . 1 1 53 53 GLU HG2 H 1 2.211 0.02 . 2 . . . . . . . . 6460 1 550 . 1 1 53 53 GLU C C 13 179.230 0.30 . 1 . . . . . . . . 6460 1 551 . 1 1 54 54 ALA N N 15 121.320 0.30 . 1 . . . . . . . . 6460 1 552 . 1 1 54 54 ALA H H 1 8.647 0.02 . 1 . . . . . . . . 6460 1 553 . 1 1 54 54 ALA CA C 13 55.170 0.30 . 1 . . . . . . . . 6460 1 554 . 1 1 54 54 ALA HA H 1 3.975 0.02 . 1 . . . . . . . . 6460 1 555 . 1 1 54 54 ALA CB C 13 17.300 0.30 . 1 . . . . . . . . 6460 1 556 . 1 1 54 54 ALA HB1 H 1 1.466 0.02 . 1 . . . . . . . . 6460 1 557 . 1 1 54 54 ALA HB2 H 1 1.466 0.02 . 1 . . . . . . . . 6460 1 558 . 1 1 54 54 ALA HB3 H 1 1.466 0.02 . 1 . . . . . . . . 6460 1 559 . 1 1 54 54 ALA C C 13 180.200 0.30 . 1 . . . . . . . . 6460 1 560 . 1 1 55 55 LEU N N 15 119.100 0.30 . 1 . . . . . . . . 6460 1 561 . 1 1 55 55 LEU H H 1 7.729 0.02 . 1 . . . . . . . . 6460 1 562 . 1 1 55 55 LEU CA C 13 58.060 0.30 . 1 . . . . . . . . 6460 1 563 . 1 1 55 55 LEU HA H 1 4.052 0.02 . 1 . . . . . . . . 6460 1 564 . 1 1 55 55 LEU CB C 13 39.340 0.30 . 1 . . . . . . . . 6460 1 565 . 1 1 55 55 LEU HB3 H 1 1.814 0.02 . 2 . . . . . . . . 6460 1 566 . 1 1 55 55 LEU CG C 13 29.400 0.30 . 1 . . . . . . . . 6460 1 567 . 1 1 55 55 LEU HG H 1 1.840 0.02 . 1 . . . . . . . . 6460 1 568 . 1 1 55 55 LEU CD1 C 13 24.720 0.30 . 2 . . . . . . . . 6460 1 569 . 1 1 55 55 LEU HD11 H 1 0.891 0.02 . 1 . . . . . . . . 6460 1 570 . 1 1 55 55 LEU HD12 H 1 0.891 0.02 . 1 . . . . . . . . 6460 1 571 . 1 1 55 55 LEU HD13 H 1 0.891 0.02 . 1 . . . . . . . . 6460 1 572 . 1 1 55 55 LEU C C 13 178.800 0.30 . 1 . . . . . . . . 6460 1 573 . 1 1 56 56 PHE N N 15 125.130 0.30 . 1 . . . . . . . . 6460 1 574 . 1 1 56 56 PHE H H 1 8.641 0.02 . 1 . . . . . . . . 6460 1 575 . 1 1 56 56 PHE CA C 13 61.550 0.30 . 1 . . . . . . . . 6460 1 576 . 1 1 56 56 PHE HA H 1 4.193 0.02 . 1 . . . . . . . . 6460 1 577 . 1 1 56 56 PHE CB C 13 38.780 0.30 . 1 . . . . . . . . 6460 1 578 . 1 1 56 56 PHE HB3 H 1 3.236 0.02 . 2 . . . . . . . . 6460 1 579 . 1 1 56 56 PHE HB2 H 1 3.423 0.02 . 2 . . . . . . . . 6460 1 580 . 1 1 56 56 PHE HE1 H 1 7.224 0.02 . 3 . . . . . . . . 6460 1 581 . 1 1 56 56 PHE C C 13 179.620 0.30 . 1 . . . . . . . . 6460 1 582 . 1 1 57 57 GLU N N 15 119.380 0.30 . 1 . . . . . . . . 6460 1 583 . 1 1 57 57 GLU H H 1 7.522 0.02 . 1 . . . . . . . . 6460 1 584 . 1 1 57 57 GLU CA C 13 58.790 0.30 . 1 . . . . . . . . 6460 1 585 . 1 1 57 57 GLU HA H 1 3.926 0.02 . 1 . . . . . . . . 6460 1 586 . 1 1 57 57 GLU CB C 13 30.210 0.30 . 1 . . . . . . . . 6460 1 587 . 1 1 57 57 GLU HB3 H 1 2.096 0.02 . 2 . . . . . . . . 6460 1 588 . 1 1 57 57 GLU HB2 H 1 1.994 0.02 . 2 . . . . . . . . 6460 1 589 . 1 1 57 57 GLU CG C 13 36.400 0.30 . 1 . . . . . . . . 6460 1 590 . 1 1 57 57 GLU HG3 H 1 2.450 0.02 . 2 . . . . . . . . 6460 1 591 . 1 1 57 57 GLU HG2 H 1 2.266 0.02 . 2 . . . . . . . . 6460 1 592 . 1 1 57 57 GLU C C 13 176.960 0.30 . 1 . . . . . . . . 6460 1 593 . 1 1 58 58 LYS N N 15 115.560 0.30 . 1 . . . . . . . . 6460 1 594 . 1 1 58 58 LYS H H 1 7.127 0.02 . 1 . . . . . . . . 6460 1 595 . 1 1 58 58 LYS CA C 13 53.630 0.30 . 1 . . . . . . . . 6460 1 596 . 1 1 58 58 LYS HA H 1 4.226 0.02 . 1 . . . . . . . . 6460 1 597 . 1 1 58 58 LYS CB C 13 31.370 0.30 . 1 . . . . . . . . 6460 1 598 . 1 1 58 58 LYS HB3 H 1 2.181 0.02 . 2 . . . . . . . . 6460 1 599 . 1 1 58 58 LYS HB2 H 1 1.632 0.02 . 2 . . . . . . . . 6460 1 600 . 1 1 58 58 LYS CG C 13 25.320 0.30 . 1 . . . . . . . . 6460 1 601 . 1 1 58 58 LYS HG3 H 1 1.442 0.02 . 2 . . . . . . . . 6460 1 602 . 1 1 58 58 LYS HG2 H 1 1.302 0.02 . 2 . . . . . . . . 6460 1 603 . 1 1 58 58 LYS CD C 13 28.090 0.30 . 1 . . . . . . . . 6460 1 604 . 1 1 58 58 LYS HD3 H 1 1.619 0.02 . 2 . . . . . . . . 6460 1 605 . 1 1 58 58 LYS HD2 H 1 1.525 0.02 . 2 . . . . . . . . 6460 1 606 . 1 1 58 58 LYS CE C 13 41.740 0.30 . 1 . . . . . . . . 6460 1 607 . 1 1 58 58 LYS HE3 H 1 2.907 0.02 . 2 . . . . . . . . 6460 1 608 . 1 1 58 58 LYS HE2 H 1 2.829 0.02 . 2 . . . . . . . . 6460 1 609 . 1 1 58 58 LYS C C 13 174.540 0.30 . 1 . . . . . . . . 6460 1 610 . 1 1 59 59 HIS N N 15 113.520 0.30 . 1 . . . . . . . . 6460 1 611 . 1 1 59 59 HIS H H 1 7.708 0.02 . 1 . . . . . . . . 6460 1 612 . 1 1 59 59 HIS CA C 13 56.500 0.30 . 1 . . . . . . . . 6460 1 613 . 1 1 59 59 HIS HA H 1 3.984 0.02 . 1 . . . . . . . . 6460 1 614 . 1 1 59 59 HIS CB C 13 26.520 0.30 . 1 . . . . . . . . 6460 1 615 . 1 1 59 59 HIS HB3 H 1 3.403 0.02 . 2 . . . . . . . . 6460 1 616 . 1 1 59 59 HIS HB2 H 1 3.180 0.02 . 2 . . . . . . . . 6460 1 617 . 1 1 59 59 HIS CD2 C 13 119.770 0.30 . 1 . . . . . . . . 6460 1 618 . 1 1 59 59 HIS HD2 H 1 6.860 0.02 . 1 . . . . . . . . 6460 1 619 . 1 1 59 59 HIS C C 13 174.240 0.30 . 1 . . . . . . . . 6460 1 620 . 1 1 60 60 ILE N N 15 120.950 0.30 . 1 . . . . . . . . 6460 1 621 . 1 1 60 60 ILE H H 1 7.554 0.02 . 1 . . . . . . . . 6460 1 622 . 1 1 60 60 ILE CA C 13 60.000 0.30 . 1 . . . . . . . . 6460 1 623 . 1 1 60 60 ILE HA H 1 4.215 0.02 . 1 . . . . . . . . 6460 1 624 . 1 1 60 60 ILE CB C 13 40.260 0.30 . 1 . . . . . . . . 6460 1 625 . 1 1 60 60 ILE HB H 1 1.483 0.02 . 1 . . . . . . . . 6460 1 626 . 1 1 60 60 ILE CG1 C 13 27.020 0.30 . 2 . . . . . . . . 6460 1 627 . 1 1 60 60 ILE HG13 H 1 1.520 0.02 . 1 . . . . . . . . 6460 1 628 . 1 1 60 60 ILE HG12 H 1 0.984 0.02 . 1 . . . . . . . . 6460 1 629 . 1 1 60 60 ILE CD1 C 13 14.030 0.30 . 1 . . . . . . . . 6460 1 630 . 1 1 60 60 ILE HD11 H 1 0.846 0.02 . 1 . . . . . . . . 6460 1 631 . 1 1 60 60 ILE HD12 H 1 0.846 0.02 . 1 . . . . . . . . 6460 1 632 . 1 1 60 60 ILE HD13 H 1 0.846 0.02 . 1 . . . . . . . . 6460 1 633 . 1 1 60 60 ILE CG2 C 13 18.020 0.30 . 2 . . . . . . . . 6460 1 634 . 1 1 60 60 ILE HG21 H 1 0.781 0.02 . 1 . . . . . . . . 6460 1 635 . 1 1 60 60 ILE HG22 H 1 0.781 0.02 . 1 . . . . . . . . 6460 1 636 . 1 1 60 60 ILE HG23 H 1 0.781 0.02 . 1 . . . . . . . . 6460 1 637 . 1 1 60 60 ILE C C 13 174.500 0.30 . 1 . . . . . . . . 6460 1 638 . 1 1 61 61 ALA N N 15 131.820 0.30 . 1 . . . . . . . . 6460 1 639 . 1 1 61 61 ALA H H 1 8.674 0.02 . 1 . . . . . . . . 6460 1 640 . 1 1 61 61 ALA CA C 13 51.500 0.30 . 1 . . . . . . . . 6460 1 641 . 1 1 61 61 ALA HA H 1 4.263 0.02 . 1 . . . . . . . . 6460 1 642 . 1 1 61 61 ALA CB C 13 19.420 0.30 . 1 . . . . . . . . 6460 1 643 . 1 1 61 61 ALA HB1 H 1 1.368 0.02 . 1 . . . . . . . . 6460 1 644 . 1 1 61 61 ALA HB2 H 1 1.368 0.02 . 1 . . . . . . . . 6460 1 645 . 1 1 61 61 ALA HB3 H 1 1.368 0.02 . 1 . . . . . . . . 6460 1 646 . 1 1 61 61 ALA C C 13 175.700 0.30 . 1 . . . . . . . . 6460 1 647 . 1 1 62 62 LEU N N 15 125.410 0.30 . 1 . . . . . . . . 6460 1 648 . 1 1 62 62 LEU H H 1 8.143 0.02 . 1 . . . . . . . . 6460 1 649 . 1 1 62 62 LEU CA C 13 54.460 0.30 . 1 . . . . . . . . 6460 1 650 . 1 1 62 62 LEU HA H 1 4.480 0.02 . 1 . . . . . . . . 6460 1 651 . 1 1 62 62 LEU CB C 13 43.210 0.30 . 1 . . . . . . . . 6460 1 652 . 1 1 62 62 LEU HB3 H 1 1.986 0.02 . 2 . . . . . . . . 6460 1 653 . 1 1 62 62 LEU HB2 H 1 1.148 0.02 . 2 . . . . . . . . 6460 1 654 . 1 1 62 62 LEU CG C 13 27.020 0.30 . 1 . . . . . . . . 6460 1 655 . 1 1 62 62 LEU HG H 1 1.380 0.02 . 1 . . . . . . . . 6460 1 656 . 1 1 62 62 LEU CD1 C 13 26.080 0.30 . 2 . . . . . . . . 6460 1 657 . 1 1 62 62 LEU HD11 H 1 0.613 0.02 . 1 . . . . . . . . 6460 1 658 . 1 1 62 62 LEU HD12 H 1 0.613 0.02 . 1 . . . . . . . . 6460 1 659 . 1 1 62 62 LEU HD13 H 1 0.613 0.02 . 1 . . . . . . . . 6460 1 660 . 1 1 62 62 LEU CD2 C 13 24.530 0.30 . 2 . . . . . . . . 6460 1 661 . 1 1 62 62 LEU HD21 H 1 0.713 0.02 . 1 . . . . . . . . 6460 1 662 . 1 1 62 62 LEU HD22 H 1 0.713 0.02 . 1 . . . . . . . . 6460 1 663 . 1 1 62 62 LEU HD23 H 1 0.713 0.02 . 1 . . . . . . . . 6460 1 664 . 1 1 62 62 LEU C C 13 174.370 0.30 . 1 . . . . . . . . 6460 1 665 . 1 1 63 63 ASN H H 1 8.361 0.02 . 9 . . . . . . . . 6460 1 666 . 1 1 63 63 ASN CA C 13 52.440 0.30 . 1 . . . . . . . . 6460 1 667 . 1 1 63 63 ASN HA H 1 4.937 0.02 . 1 . . . . . . . . 6460 1 668 . 1 1 63 63 ASN CB C 13 38.780 0.30 . 1 . . . . . . . . 6460 1 669 . 1 1 63 63 ASN HB3 H 1 2.813 0.02 . 2 . . . . . . . . 6460 1 670 . 1 1 63 63 ASN HB2 H 1 2.649 0.02 . 2 . . . . . . . . 6460 1 671 . 1 1 63 63 ASN ND2 N 15 113.730 0.30 . 1 . . . . . . . . 6460 1 672 . 1 1 63 63 ASN HD21 H 1 7.640 0.02 . 2 . . . . . . . . 6460 1 673 . 1 1 63 63 ASN HD22 H 1 6.913 0.02 . 2 . . . . . . . . 6460 1 674 . 1 1 64 64 HIS CA C 13 57.240 0.30 . 1 . . . . . . . . 6460 1 675 . 1 1 64 64 HIS HA H 1 4.788 0.02 . 1 . . . . . . . . 6460 1 676 . 1 1 64 64 HIS CB C 13 34.640 0.30 . 1 . . . . . . . . 6460 1 677 . 1 1 64 64 HIS HB3 H 1 2.852 0.02 . 2 . . . . . . . . 6460 1 678 . 1 1 64 64 HIS HB2 H 1 2.717 0.02 . 2 . . . . . . . . 6460 1 679 . 1 1 64 64 HIS CD2 C 13 116.510 0.30 . 1 . . . . . . . . 6460 1 680 . 1 1 64 64 HIS HD2 H 1 6.511 0.02 . 1 . . . . . . . . 6460 1 681 . 1 1 64 64 HIS C C 13 173.820 0.30 . 1 . . . . . . . . 6460 1 682 . 1 1 65 65 VAL N N 15 127.590 0.30 . 1 . . . . . . . . 6460 1 683 . 1 1 65 65 VAL H H 1 7.410 0.02 . 1 . . . . . . . . 6460 1 684 . 1 1 65 65 VAL CA C 13 60.530 0.30 . 1 . . . . . . . . 6460 1 685 . 1 1 65 65 VAL HA H 1 4.384 0.02 . 1 . . . . . . . . 6460 1 686 . 1 1 65 65 VAL CB C 13 33.900 0.30 . 1 . . . . . . . . 6460 1 687 . 1 1 65 65 VAL HB H 1 1.790 0.02 . 1 . . . . . . . . 6460 1 688 . 1 1 65 65 VAL CG2 C 13 20.720 0.30 . 2 . . . . . . . . 6460 1 689 . 1 1 65 65 VAL HG21 H 1 0.849 0.02 . 1 . . . . . . . . 6460 1 690 . 1 1 65 65 VAL HG22 H 1 0.849 0.02 . 1 . . . . . . . . 6460 1 691 . 1 1 65 65 VAL HG23 H 1 0.849 0.02 . 1 . . . . . . . . 6460 1 692 . 1 1 65 65 VAL CG1 C 13 21.270 0.30 . 2 . . . . . . . . 6460 1 693 . 1 1 65 65 VAL HG11 H 1 0.938 0.02 . 1 . . . . . . . . 6460 1 694 . 1 1 65 65 VAL HG12 H 1 0.938 0.02 . 1 . . . . . . . . 6460 1 695 . 1 1 65 65 VAL HG13 H 1 0.938 0.02 . 1 . . . . . . . . 6460 1 696 . 1 1 65 65 VAL C C 13 174.780 0.30 . 1 . . . . . . . . 6460 1 697 . 1 1 66 66 SER N N 15 121.580 0.30 . 1 . . . . . . . . 6460 1 698 . 1 1 66 66 SER H H 1 8.357 0.02 . 1 . . . . . . . . 6460 1 699 . 1 1 66 66 SER CA C 13 59.070 0.30 . 1 . . . . . . . . 6460 1 700 . 1 1 66 66 SER HA H 1 4.548 0.02 . 1 . . . . . . . . 6460 1 701 . 1 1 66 66 SER CB C 13 65.060 0.30 . 1 . . . . . . . . 6460 1 702 . 1 1 66 66 SER HB3 H 1 3.926 0.02 . 2 . . . . . . . . 6460 1 703 . 1 1 66 66 SER HB2 H 1 3.730 0.02 . 2 . . . . . . . . 6460 1 704 . 1 1 66 66 SER C C 13 174.200 0.30 . 1 . . . . . . . . 6460 1 705 . 1 1 67 67 SER N N 15 117.010 0.30 . 1 . . . . . . . . 6460 1 706 . 1 1 67 67 SER H H 1 8.842 0.02 . 1 . . . . . . . . 6460 1 707 . 1 1 67 67 SER CA C 13 55.570 0.30 . 1 . . . . . . . . 6460 1 708 . 1 1 67 67 SER HA H 1 5.036 0.02 . 1 . . . . . . . . 6460 1 709 . 1 1 67 67 SER CB C 13 66.020 0.30 . 1 . . . . . . . . 6460 1 710 . 1 1 67 67 SER HB3 H 1 3.876 0.02 . 2 . . . . . . . . 6460 1 711 . 1 1 67 67 SER HB2 H 1 3.793 0.02 . 2 . . . . . . . . 6460 1 712 . 1 1 67 67 SER C C 13 171.860 0.30 . 1 . . . . . . . . 6460 1 713 . 1 1 68 68 PRO CA C 13 61.840 0.30 . 1 . . . . . . . . 6460 1 714 . 1 1 68 68 PRO HA H 1 4.831 0.02 . 1 . . . . . . . . 6460 1 715 . 1 1 68 68 PRO CB C 13 32.610 0.30 . 1 . . . . . . . . 6460 1 716 . 1 1 68 68 PRO HB3 H 1 2.365 0.02 . 2 . . . . . . . . 6460 1 717 . 1 1 68 68 PRO HB2 H 1 1.878 0.02 . 2 . . . . . . . . 6460 1 718 . 1 1 68 68 PRO CG C 13 26.800 0.30 . 1 . . . . . . . . 6460 1 719 . 1 1 68 68 PRO HG3 H 1 2.001 0.02 . 2 . . . . . . . . 6460 1 720 . 1 1 68 68 PRO CD C 13 51.140 0.30 . 1 . . . . . . . . 6460 1 721 . 1 1 68 68 PRO HD3 H 1 3.912 0.02 . 2 . . . . . . . . 6460 1 722 . 1 1 68 68 PRO HD2 H 1 3.495 0.02 . 2 . . . . . . . . 6460 1 723 . 1 1 68 68 PRO C C 13 176.040 0.30 . 1 . . . . . . . . 6460 1 724 . 1 1 69 69 LEU N N 15 122.780 0.30 . 1 . . . . . . . . 6460 1 725 . 1 1 69 69 LEU H H 1 8.130 0.02 . 1 . . . . . . . . 6460 1 726 . 1 1 69 69 LEU CA C 13 55.570 0.30 . 1 . . . . . . . . 6460 1 727 . 1 1 69 69 LEU HA H 1 3.913 0.02 . 1 . . . . . . . . 6460 1 728 . 1 1 69 69 LEU CB C 13 42.380 0.30 . 1 . . . . . . . . 6460 1 729 . 1 1 69 69 LEU HB3 H 1 1.835 0.02 . 2 . . . . . . . . 6460 1 730 . 1 1 69 69 LEU HB2 H 1 0.842 0.02 . 2 . . . . . . . . 6460 1 731 . 1 1 69 69 LEU CG C 13 26.430 0.30 . 1 . . . . . . . . 6460 1 732 . 1 1 69 69 LEU HG H 1 1.078 0.02 . 1 . . . . . . . . 6460 1 733 . 1 1 69 69 LEU CD1 C 13 22.840 0.30 . 2 . . . . . . . . 6460 1 734 . 1 1 69 69 LEU HD11 H 1 0.548 0.02 . 1 . . . . . . . . 6460 1 735 . 1 1 69 69 LEU HD12 H 1 0.548 0.02 . 1 . . . . . . . . 6460 1 736 . 1 1 69 69 LEU HD13 H 1 0.548 0.02 . 1 . . . . . . . . 6460 1 737 . 1 1 69 69 LEU C C 13 175.130 0.30 . 1 . . . . . . . . 6460 1 738 . 1 1 70 70 THR N N 15 114.790 0.30 . 1 . . . . . . . . 6460 1 739 . 1 1 70 70 THR H H 1 6.328 0.02 . 1 . . . . . . . . 6460 1 740 . 1 1 70 70 THR CA C 13 59.200 0.30 . 1 . . . . . . . . 6460 1 741 . 1 1 70 70 THR HA H 1 4.830 0.02 . 1 . . . . . . . . 6460 1 742 . 1 1 70 70 THR CB C 13 72.850 0.30 . 1 . . . . . . . . 6460 1 743 . 1 1 70 70 THR HB H 1 4.696 0.02 . 1 . . . . . . . . 6460 1 744 . 1 1 70 70 THR CG2 C 13 21.360 0.30 . 1 . . . . . . . . 6460 1 745 . 1 1 70 70 THR HG21 H 1 1.213 0.02 . 1 . . . . . . . . 6460 1 746 . 1 1 70 70 THR HG22 H 1 1.213 0.02 . 1 . . . . . . . . 6460 1 747 . 1 1 70 70 THR HG23 H 1 1.213 0.02 . 1 . . . . . . . . 6460 1 748 . 1 1 70 70 THR C C 13 174.440 0.30 . 1 . . . . . . . . 6460 1 749 . 1 1 71 71 GLU N N 15 122.800 0.30 . 1 . . . . . . . . 6460 1 750 . 1 1 71 71 GLU H H 1 9.258 0.02 . 1 . . . . . . . . 6460 1 751 . 1 1 71 71 GLU CA C 13 60.000 0.30 . 1 . . . . . . . . 6460 1 752 . 1 1 71 71 GLU HA H 1 3.498 0.02 . 1 . . . . . . . . 6460 1 753 . 1 1 71 71 GLU CB C 13 29.470 0.30 . 1 . . . . . . . . 6460 1 754 . 1 1 71 71 GLU HB3 H 1 2.313 0.02 . 2 . . . . . . . . 6460 1 755 . 1 1 71 71 GLU HB2 H 1 2.101 0.02 . 2 . . . . . . . . 6460 1 756 . 1 1 71 71 GLU CG C 13 36.480 0.30 . 1 . . . . . . . . 6460 1 757 . 1 1 71 71 GLU HG3 H 1 2.515 0.02 . 2 . . . . . . . . 6460 1 758 . 1 1 71 71 GLU HG2 H 1 2.420 0.02 . 2 . . . . . . . . 6460 1 759 . 1 1 71 71 GLU C C 13 177.260 0.30 . 1 . . . . . . . . 6460 1 760 . 1 1 72 72 GLU N N 15 118.290 0.30 . 1 . . . . . . . . 6460 1 761 . 1 1 72 72 GLU H H 1 8.588 0.02 . 1 . . . . . . . . 6460 1 762 . 1 1 72 72 GLU CA C 13 60.100 0.30 . 1 . . . . . . . . 6460 1 763 . 1 1 72 72 GLU HA H 1 3.952 0.02 . 1 . . . . . . . . 6460 1 764 . 1 1 72 72 GLU CB C 13 29.020 0.30 . 1 . . . . . . . . 6460 1 765 . 1 1 72 72 GLU HB3 H 1 1.995 0.02 . 2 . . . . . . . . 6460 1 766 . 1 1 72 72 GLU HB2 H 1 1.838 0.02 . 2 . . . . . . . . 6460 1 767 . 1 1 72 72 GLU CG C 13 36.940 0.30 . 1 . . . . . . . . 6460 1 768 . 1 1 72 72 GLU HG3 H 1 2.278 0.02 . 2 . . . . . . . . 6460 1 769 . 1 1 72 72 GLU C C 13 179.700 0.30 . 1 . . . . . . . . 6460 1 770 . 1 1 73 73 LEU N N 15 120.800 0.30 . 1 . . . . . . . . 6460 1 771 . 1 1 73 73 LEU H H 1 7.272 0.02 . 1 . . . . . . . . 6460 1 772 . 1 1 73 73 LEU CA C 13 57.500 0.30 . 1 . . . . . . . . 6460 1 773 . 1 1 73 73 LEU HA H 1 3.830 0.02 . 1 . . . . . . . . 6460 1 774 . 1 1 73 73 LEU CB C 13 42.380 0.30 . 1 . . . . . . . . 6460 1 775 . 1 1 73 73 LEU HB3 H 1 1.533 0.02 . 2 . . . . . . . . 6460 1 776 . 1 1 73 73 LEU HB2 H 1 1.095 0.02 . 2 . . . . . . . . 6460 1 777 . 1 1 73 73 LEU CG C 13 27.350 0.30 . 1 . . . . . . . . 6460 1 778 . 1 1 73 73 LEU HG H 1 1.576 0.02 . 1 . . . . . . . . 6460 1 779 . 1 1 73 73 LEU CD1 C 13 23.400 0.30 . 2 . . . . . . . . 6460 1 780 . 1 1 73 73 LEU HD11 H 1 0.710 0.02 . 1 . . . . . . . . 6460 1 781 . 1 1 73 73 LEU HD12 H 1 0.710 0.02 . 1 . . . . . . . . 6460 1 782 . 1 1 73 73 LEU HD13 H 1 0.710 0.02 . 1 . . . . . . . . 6460 1 783 . 1 1 73 73 LEU CD2 C 13 25.790 0.30 . 2 . . . . . . . . 6460 1 784 . 1 1 73 73 LEU HD21 H 1 0.858 0.02 . 1 . . . . . . . . 6460 1 785 . 1 1 73 73 LEU HD22 H 1 0.858 0.02 . 1 . . . . . . . . 6460 1 786 . 1 1 73 73 LEU HD23 H 1 0.858 0.02 . 1 . . . . . . . . 6460 1 787 . 1 1 73 73 LEU C C 13 178.640 0.30 . 1 . . . . . . . . 6460 1 788 . 1 1 74 74 MET N N 15 116.550 0.30 . 1 . . . . . . . . 6460 1 789 . 1 1 74 74 MET H H 1 7.251 0.02 . 1 . . . . . . . . 6460 1 790 . 1 1 74 74 MET CA C 13 55.200 0.30 . 1 . . . . . . . . 6460 1 791 . 1 1 74 74 MET HA H 1 3.756 0.02 . 1 . . . . . . . . 6460 1 792 . 1 1 74 74 MET CB C 13 29.100 0.30 . 1 . . . . . . . . 6460 1 793 . 1 1 74 74 MET HB3 H 1 1.023 0.02 . 2 . . . . . . . . 6460 1 794 . 1 1 74 74 MET HB2 H 1 1.434 0.02 . 2 . . . . . . . . 6460 1 795 . 1 1 74 74 MET CG C 13 30.060 0.30 . 1 . . . . . . . . 6460 1 796 . 1 1 74 74 MET HG3 H 1 1.139 0.02 . 2 . . . . . . . . 6460 1 797 . 1 1 74 74 MET HG2 H 1 1.512 0.02 . 2 . . . . . . . . 6460 1 798 . 1 1 74 74 MET CE C 13 15.524 0.30 . 1 . . . . . . . . 6460 1 799 . 1 1 74 74 MET HE1 H 1 1.558 0.02 . 1 . . . . . . . . 6460 1 800 . 1 1 74 74 MET HE2 H 1 1.558 0.02 . 1 . . . . . . . . 6460 1 801 . 1 1 74 74 MET HE3 H 1 1.558 0.02 . 1 . . . . . . . . 6460 1 802 . 1 1 74 74 MET C C 13 177.920 0.30 . 1 . . . . . . . . 6460 1 803 . 1 1 75 75 GLU N N 15 120.200 0.30 . 1 . . . . . . . . 6460 1 804 . 1 1 75 75 GLU H H 1 8.192 0.02 . 1 . . . . . . . . 6460 1 805 . 1 1 75 75 GLU CA C 13 59.160 0.30 . 1 . . . . . . . . 6460 1 806 . 1 1 75 75 GLU HA H 1 3.250 0.02 . 1 . . . . . . . . 6460 1 807 . 1 1 75 75 GLU CB C 13 29.470 0.30 . 1 . . . . . . . . 6460 1 808 . 1 1 75 75 GLU HB3 H 1 2.002 0.02 . 2 . . . . . . . . 6460 1 809 . 1 1 75 75 GLU HB2 H 1 1.901 0.02 . 2 . . . . . . . . 6460 1 810 . 1 1 75 75 GLU CG C 13 35.790 0.30 . 1 . . . . . . . . 6460 1 811 . 1 1 75 75 GLU HG3 H 1 2.199 0.02 . 2 . . . . . . . . 6460 1 812 . 1 1 75 75 GLU HG2 H 1 2.241 0.02 . 2 . . . . . . . . 6460 1 813 . 1 1 75 75 GLU C C 13 177.430 0.30 . 1 . . . . . . . . 6460 1 814 . 1 1 76 76 SER N N 15 111.470 0.30 . 1 . . . . . . . . 6460 1 815 . 1 1 76 76 SER H H 1 7.168 0.02 . 1 . . . . . . . . 6460 1 816 . 1 1 76 76 SER CA C 13 59.620 0.30 . 1 . . . . . . . . 6460 1 817 . 1 1 76 76 SER HA H 1 4.074 0.02 . 1 . . . . . . . . 6460 1 818 . 1 1 76 76 SER CB C 13 64.040 0.30 . 1 . . . . . . . . 6460 1 819 . 1 1 76 76 SER HB3 H 1 3.775 0.02 . 2 . . . . . . . . 6460 1 820 . 1 1 76 76 SER HB2 H 1 3.816 0.02 . 2 . . . . . . . . 6460 1 821 . 1 1 76 76 SER C C 13 174.570 0.30 . 1 . . . . . . . . 6460 1 822 . 1 1 77 77 ALA N N 15 122.710 0.30 . 1 . . . . . . . . 6460 1 823 . 1 1 77 77 ALA H H 1 7.056 0.02 . 1 . . . . . . . . 6460 1 824 . 1 1 77 77 ALA CA C 13 52.520 0.30 . 1 . . . . . . . . 6460 1 825 . 1 1 77 77 ALA HA H 1 3.952 0.02 . 1 . . . . . . . . 6460 1 826 . 1 1 77 77 ALA CB C 13 19.240 0.30 . 1 . . . . . . . . 6460 1 827 . 1 1 77 77 ALA HB1 H 1 1.010 0.02 . 1 . . . . . . . . 6460 1 828 . 1 1 77 77 ALA HB2 H 1 1.010 0.02 . 1 . . . . . . . . 6460 1 829 . 1 1 77 77 ALA HB3 H 1 1.010 0.02 . 1 . . . . . . . . 6460 1 830 . 1 1 77 77 ALA C C 13 177.070 0.30 . 1 . . . . . . . . 6460 1 831 . 1 1 78 78 ASP N N 15 119.450 0.30 . 1 . . . . . . . . 6460 1 832 . 1 1 78 78 ASP H H 1 9.228 0.02 . 1 . . . . . . . . 6460 1 833 . 1 1 78 78 ASP CA C 13 56.560 0.30 . 1 . . . . . . . . 6460 1 834 . 1 1 78 78 ASP HA H 1 4.843 0.02 . 1 . . . . . . . . 6460 1 835 . 1 1 78 78 ASP CB C 13 43.580 0.30 . 1 . . . . . . . . 6460 1 836 . 1 1 78 78 ASP HB3 H 1 2.672 0.02 . 2 . . . . . . . . 6460 1 837 . 1 1 78 78 ASP HB2 H 1 2.613 0.02 . 2 . . . . . . . . 6460 1 838 . 1 1 78 78 ASP C C 13 176.080 0.30 . 1 . . . . . . . . 6460 1 839 . 1 1 79 79 LEU N N 15 119.000 0.30 . 1 . . . . . . . . 6460 1 840 . 1 1 79 79 LEU H H 1 7.379 0.02 . 1 . . . . . . . . 6460 1 841 . 1 1 79 79 LEU CA C 13 54.550 0.30 . 1 . . . . . . . . 6460 1 842 . 1 1 79 79 LEU HA H 1 4.680 0.02 . 1 . . . . . . . . 6460 1 843 . 1 1 79 79 LEU CB C 13 46.820 0.30 . 1 . . . . . . . . 6460 1 844 . 1 1 79 79 LEU HB3 H 1 1.219 0.02 . 2 . . . . . . . . 6460 1 845 . 1 1 79 79 LEU CG C 13 27.170 0.30 . 1 . . . . . . . . 6460 1 846 . 1 1 79 79 LEU HG H 1 1.041 0.02 . 1 . . . . . . . . 6460 1 847 . 1 1 79 79 LEU CD1 C 13 24.490 0.30 . 2 . . . . . . . . 6460 1 848 . 1 1 79 79 LEU HD11 H 1 0.383 0.02 . 1 . . . . . . . . 6460 1 849 . 1 1 79 79 LEU HD12 H 1 0.383 0.02 . 1 . . . . . . . . 6460 1 850 . 1 1 79 79 LEU HD13 H 1 0.383 0.02 . 1 . . . . . . . . 6460 1 851 . 1 1 79 79 LEU CD2 C 13 23.670 0.30 . 2 . . . . . . . . 6460 1 852 . 1 1 79 79 LEU HD21 H 1 0.554 0.02 . 1 . . . . . . . . 6460 1 853 . 1 1 79 79 LEU HD22 H 1 0.554 0.02 . 1 . . . . . . . . 6460 1 854 . 1 1 79 79 LEU HD23 H 1 0.554 0.02 . 1 . . . . . . . . 6460 1 855 . 1 1 79 79 LEU C C 13 173.370 0.30 . 1 . . . . . . . . 6460 1 856 . 1 1 80 80 VAL N N 15 127.630 0.30 . 1 . . . . . . . . 6460 1 857 . 1 1 80 80 VAL H H 1 8.695 0.02 . 1 . . . . . . . . 6460 1 858 . 1 1 80 80 VAL CA C 13 61.000 0.30 . 1 . . . . . . . . 6460 1 859 . 1 1 80 80 VAL HA H 1 4.458 0.02 . 1 . . . . . . . . 6460 1 860 . 1 1 80 80 VAL CB C 13 32.790 0.30 . 1 . . . . . . . . 6460 1 861 . 1 1 80 80 VAL HB H 1 1.863 0.02 . 1 . . . . . . . . 6460 1 862 . 1 1 80 80 VAL CG2 C 13 20.250 0.30 . 2 . . . . . . . . 6460 1 863 . 1 1 80 80 VAL HG21 H 1 0.567 0.02 . 1 . . . . . . . . 6460 1 864 . 1 1 80 80 VAL HG22 H 1 0.567 0.02 . 1 . . . . . . . . 6460 1 865 . 1 1 80 80 VAL HG23 H 1 0.567 0.02 . 1 . . . . . . . . 6460 1 866 . 1 1 80 80 VAL CG1 C 13 21.180 0.30 . 2 . . . . . . . . 6460 1 867 . 1 1 80 80 VAL HG11 H 1 0.650 0.02 . 1 . . . . . . . . 6460 1 868 . 1 1 80 80 VAL HG12 H 1 0.650 0.02 . 1 . . . . . . . . 6460 1 869 . 1 1 80 80 VAL HG13 H 1 0.650 0.02 . 1 . . . . . . . . 6460 1 870 . 1 1 80 80 VAL C C 13 173.580 0.30 . 1 . . . . . . . . 6460 1 871 . 1 1 81 81 LEU N N 15 125.860 0.30 . 1 . . . . . . . . 6460 1 872 . 1 1 81 81 LEU H H 1 8.690 0.02 . 1 . . . . . . . . 6460 1 873 . 1 1 81 81 LEU CA C 13 52.060 0.30 . 1 . . . . . . . . 6460 1 874 . 1 1 81 81 LEU HA H 1 5.368 0.02 . 1 . . . . . . . . 6460 1 875 . 1 1 81 81 LEU CB C 13 43.300 0.30 . 1 . . . . . . . . 6460 1 876 . 1 1 81 81 LEU HB3 H 1 1.605 0.02 . 2 . . . . . . . . 6460 1 877 . 1 1 81 81 LEU HB2 H 1 0.759 0.02 . 2 . . . . . . . . 6460 1 878 . 1 1 81 81 LEU CG C 13 24.130 0.30 . 1 . . . . . . . . 6460 1 879 . 1 1 81 81 LEU HG H 1 0.485 0.02 . 1 . . . . . . . . 6460 1 880 . 1 1 81 81 LEU CD1 C 13 26.890 0.30 . 2 . . . . . . . . 6460 1 881 . 1 1 81 81 LEU HD11 H 1 0.394 0.02 . 1 . . . . . . . . 6460 1 882 . 1 1 81 81 LEU HD12 H 1 0.394 0.02 . 1 . . . . . . . . 6460 1 883 . 1 1 81 81 LEU HD13 H 1 0.394 0.02 . 1 . . . . . . . . 6460 1 884 . 1 1 81 81 LEU C C 13 175.480 0.30 . 1 . . . . . . . . 6460 1 885 . 1 1 82 82 ALA N N 15 126.900 0.30 . 1 . . . . . . . . 6460 1 886 . 1 1 82 82 ALA H H 1 9.257 0.02 . 1 . . . . . . . . 6460 1 887 . 1 1 82 82 ALA CA C 13 49.660 0.30 . 1 . . . . . . . . 6460 1 888 . 1 1 82 82 ALA HA H 1 5.032 0.02 . 1 . . . . . . . . 6460 1 889 . 1 1 82 82 ALA CB C 13 20.900 0.30 . 1 . . . . . . . . 6460 1 890 . 1 1 82 82 ALA HB1 H 1 1.351 0.02 . 1 . . . . . . . . 6460 1 891 . 1 1 82 82 ALA HB2 H 1 1.351 0.02 . 1 . . . . . . . . 6460 1 892 . 1 1 82 82 ALA HB3 H 1 1.351 0.02 . 1 . . . . . . . . 6460 1 893 . 1 1 82 82 ALA C C 13 178.460 0.30 . 1 . . . . . . . . 6460 1 894 . 1 1 83 83 MET N N 15 118.530 0.30 . 1 . . . . . . . . 6460 1 895 . 1 1 83 83 MET H H 1 8.416 0.02 . 1 . . . . . . . . 6460 1 896 . 1 1 83 83 MET CA C 13 57.500 0.30 . 1 . . . . . . . . 6460 1 897 . 1 1 83 83 MET HA H 1 4.895 0.02 . 1 . . . . . . . . 6460 1 898 . 1 1 83 83 MET CB C 13 34.460 0.30 . 1 . . . . . . . . 6460 1 899 . 1 1 83 83 MET HB3 H 1 2.990 0.02 . 2 . . . . . . . . 6460 1 900 . 1 1 83 83 MET HB2 H 1 2.915 0.02 . 2 . . . . . . . . 6460 1 901 . 1 1 83 83 MET HG3 H 1 2.010 0.02 . 2 . . . . . . . . 6460 1 902 . 1 1 83 83 MET HG2 H 1 1.934 0.02 . 2 . . . . . . . . 6460 1 903 . 1 1 83 83 MET CE C 13 20.440 0.30 . 1 . . . . . . . . 6460 1 904 . 1 1 83 83 MET HE1 H 1 2.019 0.02 . 1 . . . . . . . . 6460 1 905 . 1 1 83 83 MET HE2 H 1 2.019 0.02 . 1 . . . . . . . . 6460 1 906 . 1 1 83 83 MET HE3 H 1 2.019 0.02 . 1 . . . . . . . . 6460 1 907 . 1 1 83 83 MET C C 13 177.970 0.30 . 1 . . . . . . . . 6460 1 908 . 1 1 84 84 THR N N 15 111.750 0.30 . 1 . . . . . . . . 6460 1 909 . 1 1 84 84 THR H H 1 8.428 0.02 . 1 . . . . . . . . 6460 1 910 . 1 1 84 84 THR CA C 13 58.610 0.30 . 1 . . . . . . . . 6460 1 911 . 1 1 84 84 THR HA H 1 5.337 0.02 . 1 . . . . . . . . 6460 1 912 . 1 1 84 84 THR CB C 13 72.250 0.30 . 1 . . . . . . . . 6460 1 913 . 1 1 84 84 THR HB H 1 4.565 0.02 . 1 . . . . . . . . 6460 1 914 . 1 1 84 84 THR CG2 C 13 22.280 0.30 . 1 . . . . . . . . 6460 1 915 . 1 1 84 84 THR HG21 H 1 1.139 0.02 . 1 . . . . . . . . 6460 1 916 . 1 1 84 84 THR HG22 H 1 1.139 0.02 . 1 . . . . . . . . 6460 1 917 . 1 1 84 84 THR HG23 H 1 1.139 0.02 . 1 . . . . . . . . 6460 1 918 . 1 1 84 84 THR C C 13 175.010 0.30 . 1 . . . . . . . . 6460 1 919 . 1 1 85 85 HIS N N 15 123.880 0.30 . 1 . . . . . . . . 6460 1 920 . 1 1 85 85 HIS H H 1 9.688 0.02 . 1 . . . . . . . . 6460 1 921 . 1 1 85 85 HIS CA C 13 61.090 0.30 . 1 . . . . . . . . 6460 1 922 . 1 1 85 85 HIS HA H 1 3.828 0.02 . 1 . . . . . . . . 6460 1 923 . 1 1 85 85 HIS CB C 13 29.200 0.30 . 1 . . . . . . . . 6460 1 924 . 1 1 85 85 HIS HB3 H 1 3.285 0.02 . 2 . . . . . . . . 6460 1 925 . 1 1 85 85 HIS HB2 H 1 3.166 0.02 . 2 . . . . . . . . 6460 1 926 . 1 1 85 85 HIS HD2 H 1 7.035 0.02 . 1 . . . . . . . . 6460 1 927 . 1 1 85 85 HIS C C 13 177.690 0.30 . 1 . . . . . . . . 6460 1 928 . 1 1 86 86 GLN N N 15 122.440 0.30 . 1 . . . . . . . . 6460 1 929 . 1 1 86 86 GLN H H 1 8.516 0.02 . 1 . . . . . . . . 6460 1 930 . 1 1 86 86 GLN CA C 13 59.430 0.30 . 1 . . . . . . . . 6460 1 931 . 1 1 86 86 GLN HA H 1 4.076 0.02 . 1 . . . . . . . . 6460 1 932 . 1 1 86 86 GLN CB C 13 28.000 0.30 . 1 . . . . . . . . 6460 1 933 . 1 1 86 86 GLN HB3 H 1 1.973 0.02 . 2 . . . . . . . . 6460 1 934 . 1 1 86 86 GLN HB2 H 1 1.889 0.02 . 2 . . . . . . . . 6460 1 935 . 1 1 86 86 GLN CG C 13 33.900 0.30 . 1 . . . . . . . . 6460 1 936 . 1 1 86 86 GLN HG3 H 1 2.442 0.02 . 2 . . . . . . . . 6460 1 937 . 1 1 86 86 GLN HG2 H 1 2.261 0.02 . 2 . . . . . . . . 6460 1 938 . 1 1 86 86 GLN NE2 N 15 112.760 0.30 . 1 . . . . . . . . 6460 1 939 . 1 1 86 86 GLN HE21 H 1 7.535 0.02 . 2 . . . . . . . . 6460 1 940 . 1 1 86 86 GLN HE22 H 1 6.899 0.02 . 2 . . . . . . . . 6460 1 941 . 1 1 86 86 GLN C C 13 178.730 0.30 . 1 . . . . . . . . 6460 1 942 . 1 1 87 87 HIS N N 15 118.660 0.30 . 1 . . . . . . . . 6460 1 943 . 1 1 87 87 HIS H H 1 7.879 0.02 . 1 . . . . . . . . 6460 1 944 . 1 1 87 87 HIS CA C 13 59.160 0.30 . 1 . . . . . . . . 6460 1 945 . 1 1 87 87 HIS HA H 1 4.212 0.02 . 1 . . . . . . . . 6460 1 946 . 1 1 87 87 HIS CB C 13 33.150 0.30 . 1 . . . . . . . . 6460 1 947 . 1 1 87 87 HIS HB3 H 1 2.816 0.02 . 2 . . . . . . . . 6460 1 948 . 1 1 87 87 HIS HB2 H 1 3.620 0.02 . 2 . . . . . . . . 6460 1 949 . 1 1 87 87 HIS CD2 C 13 115.150 0.30 . 1 . . . . . . . . 6460 1 950 . 1 1 87 87 HIS HD2 H 1 6.717 0.02 . 2 . . . . . . . . 6460 1 951 . 1 1 87 87 HIS C C 13 177.420 0.30 . 1 . . . . . . . . 6460 1 952 . 1 1 88 88 LYS N N 15 119.110 0.30 . 1 . . . . . . . . 6460 1 953 . 1 1 88 88 LYS H H 1 7.708 0.02 . 1 . . . . . . . . 6460 1 954 . 1 1 88 88 LYS CA C 13 60.170 0.30 . 1 . . . . . . . . 6460 1 955 . 1 1 88 88 LYS HA H 1 3.545 0.02 . 1 . . . . . . . . 6460 1 956 . 1 1 88 88 LYS CB C 13 32.880 0.30 . 1 . . . . . . . . 6460 1 957 . 1 1 88 88 LYS HB3 H 1 2.098 0.02 . 2 . . . . . . . . 6460 1 958 . 1 1 88 88 LYS HB2 H 1 1.369 0.02 . 2 . . . . . . . . 6460 1 959 . 1 1 88 88 LYS CG C 13 20.815 0.30 . 1 . . . . . . . . 6460 1 960 . 1 1 88 88 LYS HG2 H 1 1.085 0.02 . 2 . . . . . . . . 6460 1 961 . 1 1 88 88 LYS HD2 H 1 1.675 0.02 . 2 . . . . . . . . 6460 1 962 . 1 1 88 88 LYS C C 13 176.470 0.30 . 1 . . . . . . . . 6460 1 963 . 1 1 89 89 GLN N N 15 117.730 0.30 . 1 . . . . . . . . 6460 1 964 . 1 1 89 89 GLN H H 1 7.967 0.02 . 1 . . . . . . . . 6460 1 965 . 1 1 89 89 GLN CA C 13 58.790 0.30 . 1 . . . . . . . . 6460 1 966 . 1 1 89 89 GLN HA H 1 4.003 0.02 . 1 . . . . . . . . 6460 1 967 . 1 1 89 89 GLN CB C 13 28.370 0.30 . 1 . . . . . . . . 6460 1 968 . 1 1 89 89 GLN HB2 H 1 2.157 0.02 . 2 . . . . . . . . 6460 1 969 . 1 1 89 89 GLN CG C 13 33.930 0.30 . 1 . . . . . . . . 6460 1 970 . 1 1 89 89 GLN HG3 H 1 2.386 0.02 . 2 . . . . . . . . 6460 1 971 . 1 1 89 89 GLN HG2 H 1 2.286 0.02 . 2 . . . . . . . . 6460 1 972 . 1 1 89 89 GLN NE2 N 15 112.280 0.30 . 1 . . . . . . . . 6460 1 973 . 1 1 89 89 GLN HE21 H 1 7.275 0.02 . 2 . . . . . . . . 6460 1 974 . 1 1 89 89 GLN HE22 H 1 6.843 0.02 . 2 . . . . . . . . 6460 1 975 . 1 1 89 89 GLN C C 13 179.370 0.30 . 1 . . . . . . . . 6460 1 976 . 1 1 90 90 ILE N N 15 122.150 0.30 . 1 . . . . . . . . 6460 1 977 . 1 1 90 90 ILE H H 1 8.227 0.02 . 1 . . . . . . . . 6460 1 978 . 1 1 90 90 ILE CA C 13 65.240 0.30 . 1 . . . . . . . . 6460 1 979 . 1 1 90 90 ILE HA H 1 3.764 0.02 . 1 . . . . . . . . 6460 1 980 . 1 1 90 90 ILE CB C 13 38.600 0.30 . 1 . . . . . . . . 6460 1 981 . 1 1 90 90 ILE HB H 1 1.879 0.02 . 1 . . . . . . . . 6460 1 982 . 1 1 90 90 ILE CG1 C 13 28.830 0.30 . 2 . . . . . . . . 6460 1 983 . 1 1 90 90 ILE HG13 H 1 1.883 0.02 . 1 . . . . . . . . 6460 1 984 . 1 1 90 90 ILE HG12 H 1 1.180 0.02 . 1 . . . . . . . . 6460 1 985 . 1 1 90 90 ILE CD1 C 13 14.170 0.30 . 1 . . . . . . . . 6460 1 986 . 1 1 90 90 ILE HD11 H 1 0.935 0.02 . 1 . . . . . . . . 6460 1 987 . 1 1 90 90 ILE HD12 H 1 0.935 0.02 . 1 . . . . . . . . 6460 1 988 . 1 1 90 90 ILE HD13 H 1 0.935 0.02 . 1 . . . . . . . . 6460 1 989 . 1 1 90 90 ILE CG2 C 13 17.770 0.30 . 2 . . . . . . . . 6460 1 990 . 1 1 90 90 ILE HG21 H 1 0.874 0.02 . 1 . . . . . . . . 6460 1 991 . 1 1 90 90 ILE HG22 H 1 0.874 0.02 . 1 . . . . . . . . 6460 1 992 . 1 1 90 90 ILE HG23 H 1 0.874 0.02 . 1 . . . . . . . . 6460 1 993 . 1 1 90 90 ILE C C 13 178.890 0.30 . 1 . . . . . . . . 6460 1 994 . 1 1 91 91 ILE N N 15 121.220 0.30 . 1 . . . . . . . . 6460 1 995 . 1 1 91 91 ILE H H 1 8.556 0.02 . 1 . . . . . . . . 6460 1 996 . 1 1 91 91 ILE CA C 13 66.170 0.30 . 1 . . . . . . . . 6460 1 997 . 1 1 91 91 ILE HA H 1 3.528 0.02 . 1 . . . . . . . . 6460 1 998 . 1 1 91 91 ILE CB C 13 38.880 0.30 . 1 . . . . . . . . 6460 1 999 . 1 1 91 91 ILE HB H 1 1.776 0.02 . 1 . . . . . . . . 6460 1 1000 . 1 1 91 91 ILE CG1 C 13 28.920 0.30 . 2 . . . . . . . . 6460 1 1001 . 1 1 91 91 ILE HG13 H 1 1.881 0.02 . 1 . . . . . . . . 6460 1 1002 . 1 1 91 91 ILE HG12 H 1 1.180 0.02 . 1 . . . . . . . . 6460 1 1003 . 1 1 91 91 ILE CD1 C 13 15.000 0.30 . 1 . . . . . . . . 6460 1 1004 . 1 1 91 91 ILE HD11 H 1 0.581 0.02 . 1 . . . . . . . . 6460 1 1005 . 1 1 91 91 ILE HD12 H 1 0.581 0.02 . 1 . . . . . . . . 6460 1 1006 . 1 1 91 91 ILE HD13 H 1 0.581 0.02 . 1 . . . . . . . . 6460 1 1007 . 1 1 91 91 ILE CG2 C 13 19.520 0.30 . 2 . . . . . . . . 6460 1 1008 . 1 1 91 91 ILE HG21 H 1 0.948 0.02 . 1 . . . . . . . . 6460 1 1009 . 1 1 91 91 ILE HG22 H 1 0.948 0.02 . 1 . . . . . . . . 6460 1 1010 . 1 1 91 91 ILE HG23 H 1 0.948 0.02 . 1 . . . . . . . . 6460 1 1011 . 1 1 91 91 ILE C C 13 177.720 0.30 . 1 . . . . . . . . 6460 1 1012 . 1 1 92 92 ALA N N 15 120.390 0.30 . 1 . . . . . . . . 6460 1 1013 . 1 1 92 92 ALA H H 1 8.486 0.02 . 1 . . . . . . . . 6460 1 1014 . 1 1 92 92 ALA CA C 13 55.100 0.30 . 1 . . . . . . . . 6460 1 1015 . 1 1 92 92 ALA HA H 1 3.802 0.02 . 1 . . . . . . . . 6460 1 1016 . 1 1 92 92 ALA CB C 13 18.140 0.30 . 1 . . . . . . . . 6460 1 1017 . 1 1 92 92 ALA HB1 H 1 1.397 0.02 . 1 . . . . . . . . 6460 1 1018 . 1 1 92 92 ALA HB2 H 1 1.397 0.02 . 1 . . . . . . . . 6460 1 1019 . 1 1 92 92 ALA HB3 H 1 1.397 0.02 . 1 . . . . . . . . 6460 1 1020 . 1 1 92 92 ALA C C 13 178.640 0.30 . 1 . . . . . . . . 6460 1 1021 . 1 1 93 93 SER N N 15 111.450 0.30 . 1 . . . . . . . . 6460 1 1022 . 1 1 93 93 SER H H 1 7.695 0.02 . 1 . . . . . . . . 6460 1 1023 . 1 1 93 93 SER CA C 13 60.730 0.30 . 1 . . . . . . . . 6460 1 1024 . 1 1 93 93 SER HA H 1 4.258 0.02 . 1 . . . . . . . . 6460 1 1025 . 1 1 93 93 SER CB C 13 63.380 0.30 . 1 . . . . . . . . 6460 1 1026 . 1 1 93 93 SER HB3 H 1 4.000 0.02 . 2 . . . . . . . . 6460 1 1027 . 1 1 93 93 SER C C 13 176.210 0.30 . 1 . . . . . . . . 6460 1 1028 . 1 1 94 94 GLN N N 15 121.450 0.30 . 1 . . . . . . . . 6460 1 1029 . 1 1 94 94 GLN H H 1 7.886 0.02 . 1 . . . . . . . . 6460 1 1030 . 1 1 94 94 GLN CA C 13 57.780 0.30 . 1 . . . . . . . . 6460 1 1031 . 1 1 94 94 GLN HA H 1 3.986 0.02 . 1 . . . . . . . . 6460 1 1032 . 1 1 94 94 GLN CB C 13 30.030 0.30 . 1 . . . . . . . . 6460 1 1033 . 1 1 94 94 GLN HB3 H 1 1.270 0.02 . 2 . . . . . . . . 6460 1 1034 . 1 1 94 94 GLN HB2 H 1 1.740 0.02 . 2 . . . . . . . . 6460 1 1035 . 1 1 94 94 GLN CG C 13 33.720 0.30 . 1 . . . . . . . . 6460 1 1036 . 1 1 94 94 GLN HG3 H 1 2.149 0.02 . 2 . . . . . . . . 6460 1 1037 . 1 1 94 94 GLN HG2 H 1 1.840 0.02 . 2 . . . . . . . . 6460 1 1038 . 1 1 94 94 GLN NE2 N 15 109.270 0.30 . 1 . . . . . . . . 6460 1 1039 . 1 1 94 94 GLN HE21 H 1 6.907 0.02 . 2 . . . . . . . . 6460 1 1040 . 1 1 94 94 GLN HE22 H 1 6.415 0.02 . 2 . . . . . . . . 6460 1 1041 . 1 1 94 94 GLN C C 13 176.620 0.30 . 1 . . . . . . . . 6460 1 1042 . 1 1 95 95 PHE N N 15 119.960 0.30 . 1 . . . . . . . . 6460 1 1043 . 1 1 95 95 PHE H H 1 8.362 0.02 . 1 . . . . . . . . 6460 1 1044 . 1 1 95 95 PHE CA C 13 55.380 0.30 . 1 . . . . . . . . 6460 1 1045 . 1 1 95 95 PHE HA H 1 5.166 0.02 . 1 . . . . . . . . 6460 1 1046 . 1 1 95 95 PHE CB C 13 39.240 0.30 . 1 . . . . . . . . 6460 1 1047 . 1 1 95 95 PHE HB3 H 1 3.260 0.02 . 2 . . . . . . . . 6460 1 1048 . 1 1 95 95 PHE HB2 H 1 2.930 0.02 . 2 . . . . . . . . 6460 1 1049 . 1 1 95 95 PHE HD1 H 1 7.368 0.02 . 3 . . . . . . . . 6460 1 1050 . 1 1 95 95 PHE HE1 H 1 6.977 0.02 . 3 . . . . . . . . 6460 1 1051 . 1 1 95 95 PHE HD2 H 1 7.121 0.02 . 3 . . . . . . . . 6460 1 1052 . 1 1 95 95 PHE C C 13 176.800 0.30 . 1 . . . . . . . . 6460 1 1053 . 1 1 96 96 GLY N N 15 110.450 0.30 . 1 . . . . . . . . 6460 1 1054 . 1 1 96 96 GLY H H 1 8.236 0.02 . 1 . . . . . . . . 6460 1 1055 . 1 1 96 96 GLY CA C 13 48.560 0.30 . 1 . . . . . . . . 6460 1 1056 . 1 1 96 96 GLY HA3 H 1 3.964 0.02 . 2 . . . . . . . . 6460 1 1057 . 1 1 96 96 GLY C C 13 176.820 0.30 . 1 . . . . . . . . 6460 1 1058 . 1 1 97 97 ARG N N 15 119.770 0.30 . 1 . . . . . . . . 6460 1 1059 . 1 1 97 97 ARG H H 1 8.492 0.02 . 1 . . . . . . . . 6460 1 1060 . 1 1 97 97 ARG CA C 13 58.000 0.30 . 1 . . . . . . . . 6460 1 1061 . 1 1 97 97 ARG HA H 1 4.031 0.02 . 1 . . . . . . . . 6460 1 1062 . 1 1 97 97 ARG CB C 13 29.750 0.30 . 1 . . . . . . . . 6460 1 1063 . 1 1 97 97 ARG HB3 H 1 1.461 0.02 . 2 . . . . . . . . 6460 1 1064 . 1 1 97 97 ARG HB2 H 1 1.151 0.02 . 2 . . . . . . . . 6460 1 1065 . 1 1 97 97 ARG CG C 13 26.620 0.30 . 1 . . . . . . . . 6460 1 1066 . 1 1 97 97 ARG HG3 H 1 1.080 0.02 . 2 . . . . . . . . 6460 1 1067 . 1 1 97 97 ARG HG2 H 1 0.955 0.02 . 2 . . . . . . . . 6460 1 1068 . 1 1 97 97 ARG CD C 13 43.480 0.30 . 1 . . . . . . . . 6460 1 1069 . 1 1 97 97 ARG HD3 H 1 2.965 0.02 . 2 . . . . . . . . 6460 1 1070 . 1 1 97 97 ARG C C 13 176.960 0.30 . 1 . . . . . . . . 6460 1 1071 . 1 1 98 98 TYR N N 15 117.190 0.30 . 1 . . . . . . . . 6460 1 1072 . 1 1 98 98 TYR H H 1 7.823 0.02 . 1 . . . . . . . . 6460 1 1073 . 1 1 98 98 TYR CA C 13 56.300 0.30 . 1 . . . . . . . . 6460 1 1074 . 1 1 98 98 TYR HA H 1 4.979 0.02 . 1 . . . . . . . . 6460 1 1075 . 1 1 98 98 TYR CB C 13 39.520 0.30 . 1 . . . . . . . . 6460 1 1076 . 1 1 98 98 TYR HB3 H 1 2.422 0.02 . 2 . . . . . . . . 6460 1 1077 . 1 1 98 98 TYR HB2 H 1 3.291 0.02 . 2 . . . . . . . . 6460 1 1078 . 1 1 98 98 TYR CD1 C 13 132.710 0.30 . 3 . . . . . . . . 6460 1 1079 . 1 1 98 98 TYR HD1 H 1 6.974 0.02 . 3 . . . . . . . . 6460 1 1080 . 1 1 98 98 TYR C C 13 176.030 0.30 . 1 . . . . . . . . 6460 1 1081 . 1 1 99 99 ARG N N 15 118.230 0.30 . 1 . . . . . . . . 6460 1 1082 . 1 1 99 99 ARG H H 1 7.319 0.02 . 1 . . . . . . . . 6460 1 1083 . 1 1 99 99 ARG CA C 13 59.340 0.30 . 1 . . . . . . . . 6460 1 1084 . 1 1 99 99 ARG HA H 1 3.815 0.02 . 1 . . . . . . . . 6460 1 1085 . 1 1 99 99 ARG CB C 13 30.030 0.30 . 1 . . . . . . . . 6460 1 1086 . 1 1 99 99 ARG HB3 H 1 1.981 0.02 . 2 . . . . . . . . 6460 1 1087 . 1 1 99 99 ARG HB2 H 1 1.903 0.02 . 2 . . . . . . . . 6460 1 1088 . 1 1 99 99 ARG CG C 13 26.060 0.30 . 1 . . . . . . . . 6460 1 1089 . 1 1 99 99 ARG HG3 H 1 1.805 0.02 . 2 . . . . . . . . 6460 1 1090 . 1 1 99 99 ARG HG2 H 1 1.580 0.02 . 2 . . . . . . . . 6460 1 1091 . 1 1 99 99 ARG CD C 13 43.580 0.30 . 1 . . . . . . . . 6460 1 1092 . 1 1 99 99 ARG HD3 H 1 3.232 0.02 . 2 . . . . . . . . 6460 1 1093 . 1 1 99 99 ARG C C 13 176.840 0.30 . 1 . . . . . . . . 6460 1 1094 . 1 1 100 100 ASP N N 15 118.620 0.30 . 1 . . . . . . . . 6460 1 1095 . 1 1 100 100 ASP H H 1 8.670 0.02 . 1 . . . . . . . . 6460 1 1096 . 1 1 100 100 ASP CA C 13 55.930 0.30 . 1 . . . . . . . . 6460 1 1097 . 1 1 100 100 ASP HA H 1 4.426 0.02 . 1 . . . . . . . . 6460 1 1098 . 1 1 100 100 ASP CB C 13 40.110 0.30 . 1 . . . . . . . . 6460 1 1099 . 1 1 100 100 ASP HB3 H 1 2.791 0.02 . 2 . . . . . . . . 6460 1 1100 . 1 1 100 100 ASP HB2 H 1 2.645 0.02 . 2 . . . . . . . . 6460 1 1101 . 1 1 100 100 ASP C C 13 176.230 0.30 . 1 . . . . . . . . 6460 1 1102 . 1 1 101 101 LYS N N 15 116.420 0.30 . 1 . . . . . . . . 6460 1 1103 . 1 1 101 101 LYS H H 1 7.631 0.02 . 1 . . . . . . . . 6460 1 1104 . 1 1 101 101 LYS CA C 13 56.120 0.30 . 1 . . . . . . . . 6460 1 1105 . 1 1 101 101 LYS HA H 1 4.687 0.02 . 1 . . . . . . . . 6460 1 1106 . 1 1 101 101 LYS CB C 13 33.810 0.30 . 1 . . . . . . . . 6460 1 1107 . 1 1 101 101 LYS HB3 H 1 1.956 0.02 . 2 . . . . . . . . 6460 1 1108 . 1 1 101 101 LYS HB2 H 1 1.756 0.02 . 2 . . . . . . . . 6460 1 1109 . 1 1 101 101 LYS CG C 13 24.680 0.30 . 1 . . . . . . . . 6460 1 1110 . 1 1 101 101 LYS HG3 H 1 1.637 0.02 . 2 . . . . . . . . 6460 1 1111 . 1 1 101 101 LYS HG2 H 1 1.356 0.02 . 2 . . . . . . . . 6460 1 1112 . 1 1 101 101 LYS CD C 13 29.930 0.30 . 1 . . . . . . . . 6460 1 1113 . 1 1 101 101 LYS HD3 H 1 1.519 0.02 . 2 . . . . . . . . 6460 1 1114 . 1 1 101 101 LYS CE C 13 43.020 0.30 . 1 . . . . . . . . 6460 1 1115 . 1 1 101 101 LYS HE3 H 1 3.077 0.02 . 2 . . . . . . . . 6460 1 1116 . 1 1 101 101 LYS HE2 H 1 2.935 0.02 . 2 . . . . . . . . 6460 1 1117 . 1 1 101 101 LYS C C 13 173.610 0.30 . 1 . . . . . . . . 6460 1 1118 . 1 1 102 102 VAL N N 15 118.640 0.30 . 1 . . . . . . . . 6460 1 1119 . 1 1 102 102 VAL H H 1 6.802 0.02 . 1 . . . . . . . . 6460 1 1120 . 1 1 102 102 VAL CA C 13 60.820 0.30 . 1 . . . . . . . . 6460 1 1121 . 1 1 102 102 VAL HA H 1 4.926 0.02 . 1 . . . . . . . . 6460 1 1122 . 1 1 102 102 VAL CB C 13 32.420 0.30 . 1 . . . . . . . . 6460 1 1123 . 1 1 102 102 VAL HB H 1 1.934 0.02 . 1 . . . . . . . . 6460 1 1124 . 1 1 102 102 VAL CG2 C 13 22.100 0.30 . 2 . . . . . . . . 6460 1 1125 . 1 1 102 102 VAL HG21 H 1 0.787 0.02 . 1 . . . . . . . . 6460 1 1126 . 1 1 102 102 VAL HG22 H 1 0.787 0.02 . 1 . . . . . . . . 6460 1 1127 . 1 1 102 102 VAL HG23 H 1 0.787 0.02 . 1 . . . . . . . . 6460 1 1128 . 1 1 102 102 VAL C C 13 174.140 0.30 . 1 . . . . . . . . 6460 1 1129 . 1 1 103 103 PHE N N 15 124.520 0.30 . 1 . . . . . . . . 6460 1 1130 . 1 1 103 103 PHE H H 1 8.828 0.02 . 1 . . . . . . . . 6460 1 1131 . 1 1 103 103 PHE CA C 13 55.660 0.30 . 1 . . . . . . . . 6460 1 1132 . 1 1 103 103 PHE HA H 1 4.946 0.02 . 1 . . . . . . . . 6460 1 1133 . 1 1 103 103 PHE CB C 13 45.050 0.30 . 1 . . . . . . . . 6460 1 1134 . 1 1 103 103 PHE HB3 H 1 3.444 0.02 . 2 . . . . . . . . 6460 1 1135 . 1 1 103 103 PHE HB2 H 1 2.473 0.02 . 2 . . . . . . . . 6460 1 1136 . 1 1 103 103 PHE CD1 C 13 132.890 0.30 . 3 . . . . . . . . 6460 1 1137 . 1 1 103 103 PHE HD1 H 1 7.068 0.02 . 3 . . . . . . . . 6460 1 1138 . 1 1 103 103 PHE HE1 H 1 7.346 0.02 . 3 . . . . . . . . 6460 1 1139 . 1 1 103 103 PHE HD2 H 1 6.078 0.02 . 3 . . . . . . . . 6460 1 1140 . 1 1 103 103 PHE C C 13 176.920 0.30 . 1 . . . . . . . . 6460 1 1141 . 1 1 104 104 THR N N 15 114.140 0.30 . 1 . . . . . . . . 6460 1 1142 . 1 1 104 104 THR H H 1 10.303 0.02 . 1 . . . . . . . . 6460 1 1143 . 1 1 104 104 THR CA C 13 61.370 0.30 . 1 . . . . . . . . 6460 1 1144 . 1 1 104 104 THR HA H 1 5.064 0.02 . 1 . . . . . . . . 6460 1 1145 . 1 1 104 104 THR CB C 13 69.520 0.30 . 1 . . . . . . . . 6460 1 1146 . 1 1 104 104 THR HB H 1 4.830 0.02 . 1 . . . . . . . . 6460 1 1147 . 1 1 104 104 THR CG2 C 13 20.410 0.30 . 1 . . . . . . . . 6460 1 1148 . 1 1 104 104 THR HG21 H 1 0.690 0.02 . 1 . . . . . . . . 6460 1 1149 . 1 1 104 104 THR HG22 H 1 0.690 0.02 . 1 . . . . . . . . 6460 1 1150 . 1 1 104 104 THR HG23 H 1 0.690 0.02 . 1 . . . . . . . . 6460 1 1151 . 1 1 104 104 THR C C 13 175.850 0.30 . 1 . . . . . . . . 6460 1 1152 . 1 1 105 105 LEU N N 15 122.690 0.30 . 1 . . . . . . . . 6460 1 1153 . 1 1 105 105 LEU H H 1 8.691 0.02 . 1 . . . . . . . . 6460 1 1154 . 1 1 105 105 LEU CA C 13 58.740 0.30 . 1 . . . . . . . . 6460 1 1155 . 1 1 105 105 LEU HA H 1 4.201 0.02 . 1 . . . . . . . . 6460 1 1156 . 1 1 105 105 LEU CB C 13 42.470 0.30 . 1 . . . . . . . . 6460 1 1157 . 1 1 105 105 LEU HB3 H 1 1.847 0.02 . 2 . . . . . . . . 6460 1 1158 . 1 1 105 105 LEU HB2 H 1 1.335 0.02 . 2 . . . . . . . . 6460 1 1159 . 1 1 105 105 LEU CG C 13 27.540 0.30 . 1 . . . . . . . . 6460 1 1160 . 1 1 105 105 LEU HG H 1 0.819 0.02 . 1 . . . . . . . . 6460 1 1161 . 1 1 105 105 LEU CD1 C 13 24.770 0.30 . 2 . . . . . . . . 6460 1 1162 . 1 1 105 105 LEU HD11 H 1 1.053 0.02 . 1 . . . . . . . . 6460 1 1163 . 1 1 105 105 LEU HD12 H 1 1.053 0.02 . 1 . . . . . . . . 6460 1 1164 . 1 1 105 105 LEU HD13 H 1 1.053 0.02 . 1 . . . . . . . . 6460 1 1165 . 1 1 106 106 LYS N N 15 114.180 0.30 . 1 . . . . . . . . 6460 1 1166 . 1 1 106 106 LYS H H 1 8.898 0.02 . 1 . . . . . . . . 6460 1 1167 . 1 1 106 106 LYS CA C 13 61.920 0.30 . 1 . . . . . . . . 6460 1 1168 . 1 1 106 106 LYS HA H 1 3.971 0.02 . 1 . . . . . . . . 6460 1 1169 . 1 1 106 106 LYS CB C 13 31.320 0.30 . 1 . . . . . . . . 6460 1 1170 . 1 1 106 106 LYS HB3 H 1 1.784 0.02 . 2 . . . . . . . . 6460 1 1171 . 1 1 106 106 LYS CG C 13 29.380 0.30 . 1 . . . . . . . . 6460 1 1172 . 1 1 106 106 LYS HG3 H 1 1.273 0.02 . 2 . . . . . . . . 6460 1 1173 . 1 1 106 106 LYS CD C 13 29.470 0.30 . 1 . . . . . . . . 6460 1 1174 . 1 1 106 106 LYS HD3 H 1 1.515 0.02 . 2 . . . . . . . . 6460 1 1175 . 1 1 106 106 LYS HD2 H 1 1.586 0.02 . 2 . . . . . . . . 6460 1 1176 . 1 1 106 106 LYS CE C 13 42.920 0.30 . 1 . . . . . . . . 6460 1 1177 . 1 1 106 106 LYS HE3 H 1 2.991 0.02 . 2 . . . . . . . . 6460 1 1178 . 1 1 106 106 LYS HE2 H 1 2.594 0.02 . 2 . . . . . . . . 6460 1 1179 . 1 1 107 107 GLU N N 15 124.430 0.30 . 1 . . . . . . . . 6460 1 1180 . 1 1 107 107 GLU H H 1 8.254 0.02 . 1 . . . . . . . . 6460 1 1181 . 1 1 107 107 GLU CA C 13 58.980 0.30 . 1 . . . . . . . . 6460 1 1182 . 1 1 107 107 GLU HA H 1 4.240 0.02 . 1 . . . . . . . . 6460 1 1183 . 1 1 107 107 GLU CB C 13 28.370 0.30 . 1 . . . . . . . . 6460 1 1184 . 1 1 107 107 GLU HB3 H 1 2.170 0.02 . 2 . . . . . . . . 6460 1 1185 . 1 1 107 107 GLU HB2 H 1 2.001 0.02 . 2 . . . . . . . . 6460 1 1186 . 1 1 107 107 GLU CG C 13 36.070 0.30 . 1 . . . . . . . . 6460 1 1187 . 1 1 107 107 GLU HG3 H 1 2.991 0.02 . 2 . . . . . . . . 6460 1 1188 . 1 1 107 107 GLU HG2 H 1 2.217 0.02 . 2 . . . . . . . . 6460 1 1189 . 1 1 107 107 GLU C C 13 178.540 0.30 . 1 . . . . . . . . 6460 1 1190 . 1 1 108 108 TYR N N 15 123.290 0.30 . 1 . . . . . . . . 6460 1 1191 . 1 1 108 108 TYR H H 1 8.314 0.02 . 1 . . . . . . . . 6460 1 1192 . 1 1 108 108 TYR CA C 13 62.110 0.30 . 1 . . . . . . . . 6460 1 1193 . 1 1 108 108 TYR HA H 1 3.740 0.02 . 1 . . . . . . . . 6460 1 1194 . 1 1 108 108 TYR CB C 13 40.170 0.30 . 1 . . . . . . . . 6460 1 1195 . 1 1 108 108 TYR HB3 H 1 2.788 0.02 . 2 . . . . . . . . 6460 1 1196 . 1 1 108 108 TYR HB2 H 1 2.842 0.02 . 2 . . . . . . . . 6460 1 1197 . 1 1 108 108 TYR CD1 C 13 132.480 0.30 . 3 . . . . . . . . 6460 1 1198 . 1 1 108 108 TYR HD1 H 1 6.076 0.02 . 3 . . . . . . . . 6460 1 1199 . 1 1 108 108 TYR CE1 C 13 118.630 0.30 . 2 . . . . . . . . 6460 1 1200 . 1 1 108 108 TYR HE1 H 1 6.175 0.02 . 3 . . . . . . . . 6460 1 1201 . 1 1 108 108 TYR HD2 H 1 7.331 0.02 . 3 . . . . . . . . 6460 1 1202 . 1 1 108 108 TYR C C 13 177.020 0.30 . 1 . . . . . . . . 6460 1 1203 . 1 1 109 109 VAL N N 15 112.430 0.30 . 1 . . . . . . . . 6460 1 1204 . 1 1 109 109 VAL H H 1 7.752 0.02 . 1 . . . . . . . . 6460 1 1205 . 1 1 109 109 VAL CA C 13 63.950 0.30 . 1 . . . . . . . . 6460 1 1206 . 1 1 109 109 VAL HA H 1 4.317 0.02 . 1 . . . . . . . . 6460 1 1207 . 1 1 109 109 VAL CB C 13 33.620 0.30 . 1 . . . . . . . . 6460 1 1208 . 1 1 109 109 VAL HB H 1 2.079 0.02 . 1 . . . . . . . . 6460 1 1209 . 1 1 109 109 VAL CG2 C 13 23.850 0.30 . 2 . . . . . . . . 6460 1 1210 . 1 1 109 109 VAL HG21 H 1 1.232 0.02 . 1 . . . . . . . . 6460 1 1211 . 1 1 109 109 VAL HG22 H 1 1.232 0.02 . 1 . . . . . . . . 6460 1 1212 . 1 1 109 109 VAL HG23 H 1 1.232 0.02 . 1 . . . . . . . . 6460 1 1213 . 1 1 109 109 VAL CG1 C 13 22.650 0.30 . 2 . . . . . . . . 6460 1 1214 . 1 1 109 109 VAL HG11 H 1 1.071 0.02 . 1 . . . . . . . . 6460 1 1215 . 1 1 109 109 VAL HG12 H 1 1.071 0.02 . 1 . . . . . . . . 6460 1 1216 . 1 1 109 109 VAL HG13 H 1 1.071 0.02 . 1 . . . . . . . . 6460 1 1217 . 1 1 109 109 VAL C C 13 177.330 0.30 . 1 . . . . . . . . 6460 1 1218 . 1 1 110 110 THR N N 15 107.610 0.30 . 1 . . . . . . . . 6460 1 1219 . 1 1 110 110 THR H H 1 8.212 0.02 . 1 . . . . . . . . 6460 1 1220 . 1 1 110 110 THR CA C 13 62.020 0.30 . 1 . . . . . . . . 6460 1 1221 . 1 1 110 110 THR HA H 1 4.666 0.02 . 1 . . . . . . . . 6460 1 1222 . 1 1 110 110 THR CB C 13 72.250 0.30 . 1 . . . . . . . . 6460 1 1223 . 1 1 110 110 THR HB H 1 4.418 0.02 . 1 . . . . . . . . 6460 1 1224 . 1 1 110 110 THR CG2 C 13 21.450 0.30 . 1 . . . . . . . . 6460 1 1225 . 1 1 110 110 THR HG21 H 1 1.263 0.02 . 1 . . . . . . . . 6460 1 1226 . 1 1 110 110 THR HG22 H 1 1.263 0.02 . 1 . . . . . . . . 6460 1 1227 . 1 1 110 110 THR HG23 H 1 1.263 0.02 . 1 . . . . . . . . 6460 1 1228 . 1 1 110 110 THR C C 13 176.280 0.30 . 1 . . . . . . . . 6460 1 1229 . 1 1 111 111 GLY N N 15 111.800 0.30 . 1 . . . . . . . . 6460 1 1230 . 1 1 111 111 GLY H H 1 7.641 0.02 . 1 . . . . . . . . 6460 1 1231 . 1 1 111 111 GLY CA C 13 45.890 0.30 . 1 . . . . . . . . 6460 1 1232 . 1 1 111 111 GLY HA3 H 1 4.274 0.02 . 2 . . . . . . . . 6460 1 1233 . 1 1 111 111 GLY HA2 H 1 3.871 0.02 . 2 . . . . . . . . 6460 1 1234 . 1 1 111 111 GLY C C 13 173.540 0.30 . 1 . . . . . . . . 6460 1 1235 . 1 1 112 112 SER N N 15 116.560 0.30 . 1 . . . . . . . . 6460 1 1236 . 1 1 112 112 SER H H 1 7.860 0.02 . 1 . . . . . . . . 6460 1 1237 . 1 1 112 112 SER CA C 13 57.130 0.30 . 1 . . . . . . . . 6460 1 1238 . 1 1 112 112 SER HA H 1 4.690 0.02 . 1 . . . . . . . . 6460 1 1239 . 1 1 112 112 SER CB C 13 65.240 0.30 . 1 . . . . . . . . 6460 1 1240 . 1 1 112 112 SER HB3 H 1 3.717 0.02 . 2 . . . . . . . . 6460 1 1241 . 1 1 112 112 SER HB2 H 1 3.604 0.02 . 2 . . . . . . . . 6460 1 1242 . 1 1 112 112 SER C C 13 172.470 0.30 . 1 . . . . . . . . 6460 1 1243 . 1 1 113 113 HIS N N 15 120.900 0.30 . 1 . . . . . . . . 6460 1 1244 . 1 1 113 113 HIS H H 1 8.274 0.02 . 1 . . . . . . . . 6460 1 1245 . 1 1 113 113 HIS CA C 13 56.670 0.30 . 1 . . . . . . . . 6460 1 1246 . 1 1 113 113 HIS HA H 1 4.484 0.02 . 1 . . . . . . . . 6460 1 1247 . 1 1 113 113 HIS CB C 13 31.230 0.30 . 1 . . . . . . . . 6460 1 1248 . 1 1 113 113 HIS HB3 H 1 2.908 0.02 . 2 . . . . . . . . 6460 1 1249 . 1 1 113 113 HIS HB2 H 1 2.847 0.02 . 2 . . . . . . . . 6460 1 1250 . 1 1 113 113 HIS CD2 C 13 118.860 0.30 . 1 . . . . . . . . 6460 1 1251 . 1 1 113 113 HIS HD2 H 1 6.871 0.02 . 1 . . . . . . . . 6460 1 1252 . 1 1 113 113 HIS C C 13 176.620 0.30 . 1 . . . . . . . . 6460 1 1253 . 1 1 114 114 GLY N N 15 111.600 0.30 . 1 . . . . . . . . 6460 1 1254 . 1 1 114 114 GLY H H 1 8.743 0.02 . 1 . . . . . . . . 6460 1 1255 . 1 1 114 114 GLY CA C 13 46.260 0.30 . 1 . . . . . . . . 6460 1 1256 . 1 1 114 114 GLY HA3 H 1 4.017 0.02 . 2 . . . . . . . . 6460 1 1257 . 1 1 114 114 GLY C C 13 171.550 0.30 . 1 . . . . . . . . 6460 1 1258 . 1 1 115 115 ASP N N 15 122.620 0.30 . 1 . . . . . . . . 6460 1 1259 . 1 1 115 115 ASP H H 1 8.835 0.02 . 1 . . . . . . . . 6460 1 1260 . 1 1 115 115 ASP CA C 13 53.440 0.30 . 1 . . . . . . . . 6460 1 1261 . 1 1 115 115 ASP HA H 1 5.301 0.02 . 1 . . . . . . . . 6460 1 1262 . 1 1 115 115 ASP CB C 13 43.300 0.30 . 1 . . . . . . . . 6460 1 1263 . 1 1 115 115 ASP HB3 H 1 2.638 0.02 . 2 . . . . . . . . 6460 1 1264 . 1 1 115 115 ASP HB2 H 1 2.574 0.02 . 2 . . . . . . . . 6460 1 1265 . 1 1 115 115 ASP C C 13 177.030 0.30 . 1 . . . . . . . . 6460 1 1266 . 1 1 116 116 VAL N N 15 124.790 0.30 . 1 . . . . . . . . 6460 1 1267 . 1 1 116 116 VAL H H 1 7.719 0.02 . 1 . . . . . . . . 6460 1 1268 . 1 1 116 116 VAL CA C 13 62.570 0.30 . 1 . . . . . . . . 6460 1 1269 . 1 1 116 116 VAL HA H 1 4.160 0.02 . 1 . . . . . . . . 6460 1 1270 . 1 1 116 116 VAL CB C 13 32.880 0.30 . 1 . . . . . . . . 6460 1 1271 . 1 1 116 116 VAL HB H 1 1.868 0.02 . 1 . . . . . . . . 6460 1 1272 . 1 1 116 116 VAL CG2 C 13 22.280 0.30 . 2 . . . . . . . . 6460 1 1273 . 1 1 116 116 VAL HG21 H 1 1.213 0.02 . 1 . . . . . . . . 6460 1 1274 . 1 1 116 116 VAL HG22 H 1 1.213 0.02 . 1 . . . . . . . . 6460 1 1275 . 1 1 116 116 VAL HG23 H 1 1.213 0.02 . 1 . . . . . . . . 6460 1 1276 . 1 1 116 116 VAL CG1 C 13 20.440 0.30 . 2 . . . . . . . . 6460 1 1277 . 1 1 116 116 VAL HG11 H 1 1.093 0.02 . 1 . . . . . . . . 6460 1 1278 . 1 1 116 116 VAL HG12 H 1 1.093 0.02 . 1 . . . . . . . . 6460 1 1279 . 1 1 116 116 VAL HG13 H 1 1.093 0.02 . 1 . . . . . . . . 6460 1 1280 . 1 1 116 116 VAL C C 13 175.450 0.30 . 1 . . . . . . . . 6460 1 1281 . 1 1 117 117 LEU N N 15 133.190 0.30 . 1 . . . . . . . . 6460 1 1282 . 1 1 117 117 LEU H H 1 9.152 0.02 . 1 . . . . . . . . 6460 1 1283 . 1 1 117 117 LEU CA C 13 56.490 0.30 . 1 . . . . . . . . 6460 1 1284 . 1 1 117 117 LEU HA H 1 3.958 0.02 . 1 . . . . . . . . 6460 1 1285 . 1 1 117 117 LEU CB C 13 42.750 0.30 . 1 . . . . . . . . 6460 1 1286 . 1 1 117 117 LEU HB3 H 1 1.645 0.02 . 2 . . . . . . . . 6460 1 1287 . 1 1 117 117 LEU HB2 H 1 1.490 0.02 . 2 . . . . . . . . 6460 1 1288 . 1 1 117 117 LEU CG C 13 26.710 0.30 . 1 . . . . . . . . 6460 1 1289 . 1 1 117 117 LEU HG H 1 1.385 0.02 . 1 . . . . . . . . 6460 1 1290 . 1 1 117 117 LEU CD1 C 13 24.960 0.30 . 2 . . . . . . . . 6460 1 1291 . 1 1 117 117 LEU HD11 H 1 0.796 0.02 . 1 . . . . . . . . 6460 1 1292 . 1 1 117 117 LEU HD12 H 1 0.796 0.02 . 1 . . . . . . . . 6460 1 1293 . 1 1 117 117 LEU HD13 H 1 0.796 0.02 . 1 . . . . . . . . 6460 1 1294 . 1 1 117 117 LEU CD2 C 13 24.130 0.30 . 2 . . . . . . . . 6460 1 1295 . 1 1 117 117 LEU HD21 H 1 0.876 0.02 . 1 . . . . . . . . 6460 1 1296 . 1 1 117 117 LEU HD22 H 1 0.876 0.02 . 1 . . . . . . . . 6460 1 1297 . 1 1 117 117 LEU HD23 H 1 0.876 0.02 . 1 . . . . . . . . 6460 1 1298 . 1 1 117 117 LEU C C 13 175.900 0.30 . 1 . . . . . . . . 6460 1 1299 . 1 1 118 118 ASP N N 15 124.410 0.30 . 1 . . . . . . . . 6460 1 1300 . 1 1 118 118 ASP H H 1 8.388 0.02 . 1 . . . . . . . . 6460 1 1301 . 1 1 118 118 ASP CA C 13 51.050 0.30 . 1 . . . . . . . . 6460 1 1302 . 1 1 118 118 ASP HA H 1 4.553 0.02 . 1 . . . . . . . . 6460 1 1303 . 1 1 118 118 ASP CB C 13 42.150 0.30 . 1 . . . . . . . . 6460 1 1304 . 1 1 118 118 ASP HB3 H 1 3.080 0.02 . 2 . . . . . . . . 6460 1 1305 . 1 1 118 118 ASP HB2 H 1 2.740 0.02 . 2 . . . . . . . . 6460 1 1306 . 1 1 118 118 ASP C C 13 175.630 0.30 . 1 . . . . . . . . 6460 1 1307 . 1 1 119 119 PRO CA C 13 62.260 0.30 . 1 . . . . . . . . 6460 1 1308 . 1 1 119 119 PRO HA H 1 4.315 0.02 . 1 . . . . . . . . 6460 1 1309 . 1 1 119 119 PRO CB C 13 30.790 0.30 . 1 . . . . . . . . 6460 1 1310 . 1 1 119 119 PRO HB3 H 1 1.495 0.02 . 2 . . . . . . . . 6460 1 1311 . 1 1 119 119 PRO HB2 H 1 0.474 0.02 . 2 . . . . . . . . 6460 1 1312 . 1 1 119 119 PRO HG3 H 1 1.340 0.02 . 2 . . . . . . . . 6460 1 1313 . 1 1 119 119 PRO HG2 H 1 1.271 0.02 . 2 . . . . . . . . 6460 1 1314 . 1 1 119 119 PRO HD3 H 1 2.924 0.02 . 2 . . . . . . . . 6460 1 1315 . 1 1 119 119 PRO HD2 H 1 3.517 0.02 . 2 . . . . . . . . 6460 1 1316 . 1 1 119 119 PRO C C 13 177.330 0.30 . 1 . . . . . . . . 6460 1 1317 . 1 1 120 120 PHE N N 15 122.390 0.30 . 1 . . . . . . . . 6460 1 1318 . 1 1 120 120 PHE H H 1 7.869 0.02 . 1 . . . . . . . . 6460 1 1319 . 1 1 120 120 PHE CA C 13 61.620 0.30 . 1 . . . . . . . . 6460 1 1320 . 1 1 120 120 PHE HA H 1 4.362 0.02 . 1 . . . . . . . . 6460 1 1321 . 1 1 120 120 PHE CB C 13 39.340 0.30 . 1 . . . . . . . . 6460 1 1322 . 1 1 120 120 PHE HB3 H 1 3.458 0.02 . 2 . . . . . . . . 6460 1 1323 . 1 1 120 120 PHE HB2 H 1 3.093 0.02 . 2 . . . . . . . . 6460 1 1324 . 1 1 120 120 PHE HD1 H 1 7.368 0.02 . 3 . . . . . . . . 6460 1 1325 . 1 1 120 120 PHE C C 13 177.660 0.30 . 1 . . . . . . . . 6460 1 1326 . 1 1 121 121 GLY H H 1 8.494 0.02 . 1 . . . . . . . . 6460 1 1327 . 1 1 121 121 GLY CA C 13 45.070 0.30 . 1 . . . . . . . . 6460 1 1328 . 1 1 121 121 GLY HA3 H 1 4.038 0.02 . 2 . . . . . . . . 6460 1 1329 . 1 1 121 121 GLY HA2 H 1 3.406 0.02 . 2 . . . . . . . . 6460 1 1330 . 1 1 121 121 GLY C C 13 175.200 0.30 . 1 . . . . . . . . 6460 1 1331 . 1 1 122 122 GLY N N 15 110.090 0.30 . 1 . . . . . . . . 6460 1 1332 . 1 1 122 122 GLY H H 1 9.017 0.02 . 1 . . . . . . . . 6460 1 1333 . 1 1 122 122 GLY CA C 13 44.220 0.30 . 1 . . . . . . . . 6460 1 1334 . 1 1 122 122 GLY HA3 H 1 4.488 0.02 . 2 . . . . . . . . 6460 1 1335 . 1 1 122 122 GLY HA2 H 1 3.692 0.02 . 2 . . . . . . . . 6460 1 1336 . 1 1 122 122 GLY C C 13 173.490 0.30 . 1 . . . . . . . . 6460 1 1337 . 1 1 123 123 SER N N 15 113.890 0.30 . 1 . . . . . . . . 6460 1 1338 . 1 1 123 123 SER H H 1 7.969 0.02 . 1 . . . . . . . . 6460 1 1339 . 1 1 123 123 SER CA C 13 57.320 0.30 . 1 . . . . . . . . 6460 1 1340 . 1 1 123 123 SER HA H 1 4.614 0.02 . 1 . . . . . . . . 6460 1 1341 . 1 1 123 123 SER CB C 13 65.610 0.30 . 1 . . . . . . . . 6460 1 1342 . 1 1 123 123 SER HB3 H 1 4.348 0.02 . 2 . . . . . . . . 6460 1 1343 . 1 1 123 123 SER HB2 H 1 4.097 0.02 . 2 . . . . . . . . 6460 1 1344 . 1 1 123 123 SER C C 13 175.830 0.30 . 1 . . . . . . . . 6460 1 1345 . 1 1 124 124 ILE N N 15 120.070 0.30 . 1 . . . . . . . . 6460 1 1346 . 1 1 124 124 ILE H H 1 8.634 0.02 . 1 . . . . . . . . 6460 1 1347 . 1 1 124 124 ILE CA C 13 62.100 0.30 . 1 . . . . . . . . 6460 1 1348 . 1 1 124 124 ILE HA H 1 3.742 0.02 . 1 . . . . . . . . 6460 1 1349 . 1 1 124 124 ILE CB C 13 37.480 0.30 . 1 . . . . . . . . 6460 1 1350 . 1 1 124 124 ILE HB H 1 1.397 0.02 . 1 . . . . . . . . 6460 1 1351 . 1 1 124 124 ILE CG1 C 13 29.660 0.30 . 2 . . . . . . . . 6460 1 1352 . 1 1 124 124 ILE HG13 H 1 1.385 0.02 . 1 . . . . . . . . 6460 1 1353 . 1 1 124 124 ILE HG12 H 1 1.104 0.02 . 1 . . . . . . . . 6460 1 1354 . 1 1 124 124 ILE CD1 C 13 14.820 0.30 . 1 . . . . . . . . 6460 1 1355 . 1 1 124 124 ILE HD11 H 1 0.885 0.02 . 1 . . . . . . . . 6460 1 1356 . 1 1 124 124 ILE HD12 H 1 0.885 0.02 . 1 . . . . . . . . 6460 1 1357 . 1 1 124 124 ILE HD13 H 1 0.885 0.02 . 1 . . . . . . . . 6460 1 1358 . 1 1 124 124 ILE CG2 C 13 18.230 0.30 . 2 . . . . . . . . 6460 1 1359 . 1 1 124 124 ILE HG21 H 1 0.896 0.02 . 1 . . . . . . . . 6460 1 1360 . 1 1 124 124 ILE HG22 H 1 0.896 0.02 . 1 . . . . . . . . 6460 1 1361 . 1 1 124 124 ILE HG23 H 1 0.896 0.02 . 1 . . . . . . . . 6460 1 1362 . 1 1 124 124 ILE C C 13 175.960 0.30 . 1 . . . . . . . . 6460 1 1363 . 1 1 125 125 ASP N N 15 121.370 0.30 . 1 . . . . . . . . 6460 1 1364 . 1 1 125 125 ASP H H 1 7.794 0.02 . 1 . . . . . . . . 6460 1 1365 . 1 1 125 125 ASP CA C 13 57.910 0.30 . 1 . . . . . . . . 6460 1 1366 . 1 1 125 125 ASP HA H 1 4.321 0.02 . 1 . . . . . . . . 6460 1 1367 . 1 1 125 125 ASP CB C 13 40.350 0.30 . 1 . . . . . . . . 6460 1 1368 . 1 1 125 125 ASP HB3 H 1 2.654 0.02 . 2 . . . . . . . . 6460 1 1369 . 1 1 125 125 ASP HB2 H 1 2.484 0.02 . 2 . . . . . . . . 6460 1 1370 . 1 1 125 125 ASP C C 13 178.810 0.30 . 1 . . . . . . . . 6460 1 1371 . 1 1 126 126 ILE N N 15 121.790 0.30 . 1 . . . . . . . . 6460 1 1372 . 1 1 126 126 ILE H H 1 7.589 0.02 . 1 . . . . . . . . 6460 1 1373 . 1 1 126 126 ILE CA C 13 62.940 0.30 . 1 . . . . . . . . 6460 1 1374 . 1 1 126 126 ILE HA H 1 4.063 0.02 . 1 . . . . . . . . 6460 1 1375 . 1 1 126 126 ILE CB C 13 36.480 0.30 . 1 . . . . . . . . 6460 1 1376 . 1 1 126 126 ILE HB H 1 2.155 0.02 . 1 . . . . . . . . 6460 1 1377 . 1 1 126 126 ILE CG1 C 13 28.640 0.30 . 2 . . . . . . . . 6460 1 1378 . 1 1 126 126 ILE HG13 H 1 1.562 0.02 . 1 . . . . . . . . 6460 1 1379 . 1 1 126 126 ILE HG12 H 1 1.487 0.02 . 1 . . . . . . . . 6460 1 1380 . 1 1 126 126 ILE CD1 C 13 11.080 0.30 . 1 . . . . . . . . 6460 1 1381 . 1 1 126 126 ILE HD11 H 1 0.837 0.02 . 1 . . . . . . . . 6460 1 1382 . 1 1 126 126 ILE HD12 H 1 0.837 0.02 . 1 . . . . . . . . 6460 1 1383 . 1 1 126 126 ILE HD13 H 1 0.837 0.02 . 1 . . . . . . . . 6460 1 1384 . 1 1 126 126 ILE CG2 C 13 17.580 0.30 . 2 . . . . . . . . 6460 1 1385 . 1 1 126 126 ILE HG21 H 1 1.013 0.02 . 1 . . . . . . . . 6460 1 1386 . 1 1 126 126 ILE HG22 H 1 1.013 0.02 . 1 . . . . . . . . 6460 1 1387 . 1 1 126 126 ILE HG23 H 1 1.013 0.02 . 1 . . . . . . . . 6460 1 1388 . 1 1 126 126 ILE C C 13 179.350 0.30 . 1 . . . . . . . . 6460 1 1389 . 1 1 127 127 TYR N N 15 123.120 0.30 . 1 . . . . . . . . 6460 1 1390 . 1 1 127 127 TYR H H 1 7.814 0.02 . 1 . . . . . . . . 6460 1 1391 . 1 1 127 127 TYR CA C 13 64.330 0.30 . 1 . . . . . . . . 6460 1 1392 . 1 1 127 127 TYR HA H 1 3.781 0.02 . 1 . . . . . . . . 6460 1 1393 . 1 1 127 127 TYR CB C 13 39.340 0.30 . 1 . . . . . . . . 6460 1 1394 . 1 1 127 127 TYR HB3 H 1 3.167 0.02 . 2 . . . . . . . . 6460 1 1395 . 1 1 127 127 TYR HB2 H 1 2.533 0.02 . 2 . . . . . . . . 6460 1 1396 . 1 1 127 127 TYR HD1 H 1 6.860 0.02 . 3 . . . . . . . . 6460 1 1397 . 1 1 127 127 TYR HD2 H 1 7.048 0.02 . 3 . . . . . . . . 6460 1 1398 . 1 1 127 127 TYR C C 13 178.960 0.30 . 1 . . . . . . . . 6460 1 1399 . 1 1 128 128 LYS N N 15 120.680 0.30 . 1 . . . . . . . . 6460 1 1400 . 1 1 128 128 LYS H H 1 8.582 0.02 . 1 . . . . . . . . 6460 1 1401 . 1 1 128 128 LYS CA C 13 61.480 0.30 . 1 . . . . . . . . 6460 1 1402 . 1 1 128 128 LYS HA H 1 3.715 0.02 . 1 . . . . . . . . 6460 1 1403 . 1 1 128 128 LYS CB C 13 32.290 0.30 . 1 . . . . . . . . 6460 1 1404 . 1 1 128 128 LYS HB3 H 1 1.979 0.02 . 2 . . . . . . . . 6460 1 1405 . 1 1 128 128 LYS CG C 13 25.330 0.30 . 1 . . . . . . . . 6460 1 1406 . 1 1 128 128 LYS HG3 H 1 1.646 0.02 . 2 . . . . . . . . 6460 1 1407 . 1 1 128 128 LYS HG2 H 1 1.523 0.02 . 2 . . . . . . . . 6460 1 1408 . 1 1 128 128 LYS CD C 13 29.450 0.30 . 1 . . . . . . . . 6460 1 1409 . 1 1 128 128 LYS HD3 H 1 1.711 0.02 . 2 . . . . . . . . 6460 1 1410 . 1 1 128 128 LYS CE C 13 42.280 0.30 . 1 . . . . . . . . 6460 1 1411 . 1 1 128 128 LYS HE3 H 1 3.020 0.02 . 2 . . . . . . . . 6460 1 1412 . 1 1 128 128 LYS C C 13 177.460 0.30 . 1 . . . . . . . . 6460 1 1413 . 1 1 129 129 GLN N N 15 120.350 0.30 . 1 . . . . . . . . 6460 1 1414 . 1 1 129 129 GLN H H 1 7.800 0.02 . 1 . . . . . . . . 6460 1 1415 . 1 1 129 129 GLN CA C 13 59.430 0.30 . 1 . . . . . . . . 6460 1 1416 . 1 1 129 129 GLN HA H 1 4.116 0.02 . 1 . . . . . . . . 6460 1 1417 . 1 1 129 129 GLN CB C 13 28.370 0.30 . 1 . . . . . . . . 6460 1 1418 . 1 1 129 129 GLN HB3 H 1 2.115 0.02 . 2 . . . . . . . . 6460 1 1419 . 1 1 129 129 GLN HB2 H 1 2.259 0.02 . 2 . . . . . . . . 6460 1 1420 . 1 1 129 129 GLN CG C 13 34.080 0.30 . 1 . . . . . . . . 6460 1 1421 . 1 1 129 129 GLN HG3 H 1 2.577 0.02 . 2 . . . . . . . . 6460 1 1422 . 1 1 129 129 GLN HG2 H 1 2.391 0.02 . 2 . . . . . . . . 6460 1 1423 . 1 1 129 129 GLN NE2 N 15 111.350 0.30 . 1 . . . . . . . . 6460 1 1424 . 1 1 129 129 GLN HE21 H 1 7.400 0.02 . 2 . . . . . . . . 6460 1 1425 . 1 1 129 129 GLN HE22 H 1 6.686 0.02 . 2 . . . . . . . . 6460 1 1426 . 1 1 129 129 GLN C C 13 179.780 0.30 . 1 . . . . . . . . 6460 1 1427 . 1 1 130 130 THR N N 15 119.960 0.30 . 1 . . . . . . . . 6460 1 1428 . 1 1 130 130 THR H H 1 8.376 0.02 . 1 . . . . . . . . 6460 1 1429 . 1 1 130 130 THR CA C 13 68.470 0.30 . 1 . . . . . . . . 6460 1 1430 . 1 1 130 130 THR HA H 1 3.843 0.02 . 1 . . . . . . . . 6460 1 1431 . 1 1 130 130 THR CB C 13 68.270 0.30 . 1 . . . . . . . . 6460 1 1432 . 1 1 130 130 THR HB H 1 3.987 0.02 . 1 . . . . . . . . 6460 1 1433 . 1 1 130 130 THR CG2 C 13 21.450 0.30 . 1 . . . . . . . . 6460 1 1434 . 1 1 130 130 THR HG21 H 1 1.148 0.02 . 1 . . . . . . . . 6460 1 1435 . 1 1 130 130 THR HG22 H 1 1.148 0.02 . 1 . . . . . . . . 6460 1 1436 . 1 1 130 130 THR HG23 H 1 1.148 0.02 . 1 . . . . . . . . 6460 1 1437 . 1 1 130 130 THR C C 13 175.680 0.30 . 1 . . . . . . . . 6460 1 1438 . 1 1 131 131 ARG N N 15 122.940 0.30 . 1 . . . . . . . . 6460 1 1439 . 1 1 131 131 ARG H H 1 8.480 0.02 . 1 . . . . . . . . 6460 1 1440 . 1 1 131 131 ARG CA C 13 59.800 0.30 . 1 . . . . . . . . 6460 1 1441 . 1 1 131 131 ARG HA H 1 3.686 0.02 . 1 . . . . . . . . 6460 1 1442 . 1 1 131 131 ARG CB C 13 29.560 0.30 . 1 . . . . . . . . 6460 1 1443 . 1 1 131 131 ARG HB3 H 1 2.554 0.02 . 2 . . . . . . . . 6460 1 1444 . 1 1 131 131 ARG HB2 H 1 1.786 0.02 . 2 . . . . . . . . 6460 1 1445 . 1 1 131 131 ARG CG C 13 25.550 0.30 . 1 . . . . . . . . 6460 1 1446 . 1 1 131 131 ARG HG2 H 1 1.647 0.02 . 2 . . . . . . . . 6460 1 1447 . 1 1 131 131 ARG CD C 13 43.600 0.30 . 1 . . . . . . . . 6460 1 1448 . 1 1 131 131 ARG HD2 H 1 3.228 0.02 . 2 . . . . . . . . 6460 1 1449 . 1 1 131 131 ARG C C 13 176.610 0.30 . 1 . . . . . . . . 6460 1 1450 . 1 1 132 132 ASP N N 15 120.390 0.30 . 1 . . . . . . . . 6460 1 1451 . 1 1 132 132 ASP H H 1 8.451 0.02 . 1 . . . . . . . . 6460 1 1452 . 1 1 132 132 ASP CA C 13 57.590 0.30 . 1 . . . . . . . . 6460 1 1453 . 1 1 132 132 ASP HA H 1 4.473 0.02 . 1 . . . . . . . . 6460 1 1454 . 1 1 132 132 ASP CB C 13 39.520 0.30 . 1 . . . . . . . . 6460 1 1455 . 1 1 132 132 ASP HB3 H 1 2.782 0.02 . 2 . . . . . . . . 6460 1 1456 . 1 1 132 132 ASP C C 13 178.951 0.30 . 1 . . . . . . . . 6460 1 1457 . 1 1 133 133 GLU N N 15 124.570 0.30 . 1 . . . . . . . . 6460 1 1458 . 1 1 133 133 GLU H H 1 8.238 0.02 . 1 . . . . . . . . 6460 1 1459 . 1 1 133 133 GLU CA C 13 59.620 0.30 . 1 . . . . . . . . 6460 1 1460 . 1 1 133 133 GLU HA H 1 4.142 0.02 . 1 . . . . . . . . 6460 1 1461 . 1 1 133 133 GLU CB C 13 30.120 0.30 . 1 . . . . . . . . 6460 1 1462 . 1 1 133 133 GLU HB3 H 1 2.347 0.02 . 2 . . . . . . . . 6460 1 1463 . 1 1 133 133 GLU HB2 H 1 2.187 0.02 . 2 . . . . . . . . 6460 1 1464 . 1 1 133 133 GLU CG C 13 37.120 0.30 . 1 . . . . . . . . 6460 1 1465 . 1 1 133 133 GLU HG3 H 1 2.060 0.02 . 2 . . . . . . . . 6460 1 1466 . 1 1 133 133 GLU HG2 H 1 2.359 0.02 . 2 . . . . . . . . 6460 1 1467 . 1 1 133 133 GLU C C 13 179.550 0.30 . 1 . . . . . . . . 6460 1 1468 . 1 1 134 134 LEU N N 15 118.390 0.30 . 1 . . . . . . . . 6460 1 1469 . 1 1 134 134 LEU H H 1 8.668 0.02 . 1 . . . . . . . . 6460 1 1470 . 1 1 134 134 LEU CA C 13 58.040 0.30 . 1 . . . . . . . . 6460 1 1471 . 1 1 134 134 LEU HA H 1 3.902 0.02 . 1 . . . . . . . . 6460 1 1472 . 1 1 134 134 LEU CB C 13 43.030 0.30 . 1 . . . . . . . . 6460 1 1473 . 1 1 134 134 LEU HB3 H 1 2.221 0.02 . 2 . . . . . . . . 6460 1 1474 . 1 1 134 134 LEU HB2 H 1 0.945 0.02 . 2 . . . . . . . . 6460 1 1475 . 1 1 134 134 LEU CG C 13 26.710 0.30 . 1 . . . . . . . . 6460 1 1476 . 1 1 134 134 LEU HG H 1 1.855 0.02 . 1 . . . . . . . . 6460 1 1477 . 1 1 134 134 LEU CD1 C 13 24.490 0.30 . 2 . . . . . . . . 6460 1 1478 . 1 1 134 134 LEU HD11 H 1 0.755 0.02 . 1 . . . . . . . . 6460 1 1479 . 1 1 134 134 LEU HD12 H 1 0.755 0.02 . 1 . . . . . . . . 6460 1 1480 . 1 1 134 134 LEU HD13 H 1 0.755 0.02 . 1 . . . . . . . . 6460 1 1481 . 1 1 134 134 LEU C C 13 178.350 0.30 . 1 . . . . . . . . 6460 1 1482 . 1 1 135 135 GLU N N 15 120.450 0.30 . 1 . . . . . . . . 6460 1 1483 . 1 1 135 135 GLU H H 1 9.269 0.02 . 1 . . . . . . . . 6460 1 1484 . 1 1 135 135 GLU CA C 13 61.370 0.30 . 1 . . . . . . . . 6460 1 1485 . 1 1 135 135 GLU HA H 1 3.650 0.02 . 1 . . . . . . . . 6460 1 1486 . 1 1 135 135 GLU CB C 13 29.740 0.30 . 1 . . . . . . . . 6460 1 1487 . 1 1 135 135 GLU HB3 H 1 2.244 0.02 . 2 . . . . . . . . 6460 1 1488 . 1 1 135 135 GLU CG C 13 37.160 0.30 . 1 . . . . . . . . 6460 1 1489 . 1 1 135 135 GLU HG3 H 1 2.244 0.02 . 2 . . . . . . . . 6460 1 1490 . 1 1 135 135 GLU C C 13 177.700 0.30 . 1 . . . . . . . . 6460 1 1491 . 1 1 136 136 GLU N N 15 117.790 0.30 . 1 . . . . . . . . 6460 1 1492 . 1 1 136 136 GLU H H 1 7.560 0.02 . 1 . . . . . . . . 6460 1 1493 . 1 1 136 136 GLU CA C 13 59.620 0.30 . 1 . . . . . . . . 6460 1 1494 . 1 1 136 136 GLU HA H 1 4.139 0.02 . 1 . . . . . . . . 6460 1 1495 . 1 1 136 136 GLU CB C 13 29.470 0.30 . 1 . . . . . . . . 6460 1 1496 . 1 1 136 136 GLU HB3 H 1 2.161 0.02 . 2 . . . . . . . . 6460 1 1497 . 1 1 136 136 GLU CG C 13 37.120 0.30 . 1 . . . . . . . . 6460 1 1498 . 1 1 136 136 GLU HG3 H 1 2.367 0.02 . 2 . . . . . . . . 6460 1 1499 . 1 1 136 136 GLU HG2 H 1 2.063 0.02 . 2 . . . . . . . . 6460 1 1500 . 1 1 136 136 GLU C C 13 180.010 0.30 . 1 . . . . . . . . 6460 1 1501 . 1 1 137 137 LEU N N 15 119.790 0.30 . 1 . . . . . . . . 6460 1 1502 . 1 1 137 137 LEU H H 1 7.722 0.02 . 1 . . . . . . . . 6460 1 1503 . 1 1 137 137 LEU CA C 13 57.960 0.30 . 1 . . . . . . . . 6460 1 1504 . 1 1 137 137 LEU HA H 1 4.130 0.02 . 1 . . . . . . . . 6460 1 1505 . 1 1 137 137 LEU CB C 13 43.400 0.30 . 1 . . . . . . . . 6460 1 1506 . 1 1 137 137 LEU HB3 H 1 2.079 0.02 . 2 . . . . . . . . 6460 1 1507 . 1 1 137 137 LEU HB2 H 1 1.167 0.02 . 2 . . . . . . . . 6460 1 1508 . 1 1 137 137 LEU CG C 13 27.190 0.30 . 1 . . . . . . . . 6460 1 1509 . 1 1 137 137 LEU HG H 1 2.033 0.02 . 1 . . . . . . . . 6460 1 1510 . 1 1 137 137 LEU CD1 C 13 26.820 0.30 . 2 . . . . . . . . 6460 1 1511 . 1 1 137 137 LEU HD11 H 1 0.889 0.02 . 1 . . . . . . . . 6460 1 1512 . 1 1 137 137 LEU HD12 H 1 0.889 0.02 . 1 . . . . . . . . 6460 1 1513 . 1 1 137 137 LEU HD13 H 1 0.889 0.02 . 1 . . . . . . . . 6460 1 1514 . 1 1 137 137 LEU CD2 C 13 24.460 0.30 . 2 . . . . . . . . 6460 1 1515 . 1 1 137 137 LEU HD21 H 1 0.684 0.02 . 1 . . . . . . . . 6460 1 1516 . 1 1 137 137 LEU HD22 H 1 0.684 0.02 . 1 . . . . . . . . 6460 1 1517 . 1 1 137 137 LEU HD23 H 1 0.684 0.02 . 1 . . . . . . . . 6460 1 1518 . 1 1 137 137 LEU C C 13 179.180 0.30 . 1 . . . . . . . . 6460 1 1519 . 1 1 138 138 LEU N N 15 120.050 0.30 . 1 . . . . . . . . 6460 1 1520 . 1 1 138 138 LEU H H 1 9.128 0.02 . 1 . . . . . . . . 6460 1 1521 . 1 1 138 138 LEU CA C 13 57.020 0.30 . 1 . . . . . . . . 6460 1 1522 . 1 1 138 138 LEU HA H 1 4.209 0.02 . 1 . . . . . . . . 6460 1 1523 . 1 1 138 138 LEU CB C 13 41.780 0.30 . 1 . . . . . . . . 6460 1 1524 . 1 1 138 138 LEU HB3 H 1 1.996 0.02 . 2 . . . . . . . . 6460 1 1525 . 1 1 138 138 LEU HB2 H 1 1.578 0.02 . 2 . . . . . . . . 6460 1 1526 . 1 1 138 138 LEU CG C 13 26.990 0.30 . 1 . . . . . . . . 6460 1 1527 . 1 1 138 138 LEU HG H 1 1.221 0.02 . 1 . . . . . . . . 6460 1 1528 . 1 1 138 138 LEU HD11 H 1 0.856 0.02 . 1 . . . . . . . . 6460 1 1529 . 1 1 138 138 LEU HD12 H 1 0.856 0.02 . 1 . . . . . . . . 6460 1 1530 . 1 1 138 138 LEU HD13 H 1 0.856 0.02 . 1 . . . . . . . . 6460 1 1531 . 1 1 138 138 LEU HD21 H 1 0.695 0.02 . 1 . . . . . . . . 6460 1 1532 . 1 1 138 138 LEU HD22 H 1 0.695 0.02 . 1 . . . . . . . . 6460 1 1533 . 1 1 138 138 LEU HD23 H 1 0.695 0.02 . 1 . . . . . . . . 6460 1 1534 . 1 1 138 138 LEU C C 13 179.480 0.30 . 1 . . . . . . . . 6460 1 1535 . 1 1 139 139 ARG N N 15 122.780 0.30 . 1 . . . . . . . . 6460 1 1536 . 1 1 139 139 ARG H H 1 8.734 0.02 . 1 . . . . . . . . 6460 1 1537 . 1 1 139 139 ARG CA C 13 60.550 0.30 . 1 . . . . . . . . 6460 1 1538 . 1 1 139 139 ARG HA H 1 4.146 0.02 . 1 . . . . . . . . 6460 1 1539 . 1 1 139 139 ARG CB C 13 30.300 0.30 . 1 . . . . . . . . 6460 1 1540 . 1 1 139 139 ARG HB3 H 1 2.067 0.02 . 2 . . . . . . . . 6460 1 1541 . 1 1 139 139 ARG HB2 H 1 1.932 0.02 . 2 . . . . . . . . 6460 1 1542 . 1 1 139 139 ARG CG C 13 28.920 0.30 . 1 . . . . . . . . 6460 1 1543 . 1 1 139 139 ARG HG3 H 1 1.633 0.02 . 2 . . . . . . . . 6460 1 1544 . 1 1 139 139 ARG HG2 H 1 2.020 0.02 . 2 . . . . . . . . 6460 1 1545 . 1 1 139 139 ARG CD C 13 43.580 0.30 . 1 . . . . . . . . 6460 1 1546 . 1 1 139 139 ARG HD3 H 1 3.234 0.02 . 2 . . . . . . . . 6460 1 1547 . 1 1 139 139 ARG C C 13 179.830 0.30 . 1 . . . . . . . . 6460 1 1548 . 1 1 140 140 GLN N N 15 119.470 0.30 . 1 . . . . . . . . 6460 1 1549 . 1 1 140 140 GLN H H 1 7.360 0.02 . 1 . . . . . . . . 6460 1 1550 . 1 1 140 140 GLN CA C 13 59.060 0.30 . 1 . . . . . . . . 6460 1 1551 . 1 1 140 140 GLN HA H 1 4.142 0.02 . 1 . . . . . . . . 6460 1 1552 . 1 1 140 140 GLN CB C 13 28.370 0.30 . 1 . . . . . . . . 6460 1 1553 . 1 1 140 140 GLN HB3 H 1 2.285 0.02 . 2 . . . . . . . . 6460 1 1554 . 1 1 140 140 GLN HB2 H 1 2.158 0.02 . 2 . . . . . . . . 6460 1 1555 . 1 1 140 140 GLN CG C 13 34.080 0.30 . 1 . . . . . . . . 6460 1 1556 . 1 1 140 140 GLN HG3 H 1 2.579 0.02 . 2 . . . . . . . . 6460 1 1557 . 1 1 140 140 GLN HG2 H 1 2.421 0.02 . 2 . . . . . . . . 6460 1 1558 . 1 1 140 140 GLN NE2 N 15 111.810 0.30 . 1 . . . . . . . . 6460 1 1559 . 1 1 140 140 GLN HE21 H 1 7.444 0.02 . 2 . . . . . . . . 6460 1 1560 . 1 1 140 140 GLN HE22 H 1 6.783 0.02 . 2 . . . . . . . . 6460 1 1561 . 1 1 140 140 GLN C C 13 178.840 0.30 . 1 . . . . . . . . 6460 1 1562 . 1 1 141 141 LEU N N 15 122.510 0.30 . 1 . . . . . . . . 6460 1 1563 . 1 1 141 141 LEU H H 1 8.671 0.02 . 1 . . . . . . . . 6460 1 1564 . 1 1 141 141 LEU CA C 13 58.010 0.30 . 1 . . . . . . . . 6460 1 1565 . 1 1 141 141 LEU HA H 1 4.279 0.02 . 1 . . . . . . . . 6460 1 1566 . 1 1 141 141 LEU CB C 13 41.550 0.30 . 1 . . . . . . . . 6460 1 1567 . 1 1 141 141 LEU HB3 H 1 2.279 0.02 . 2 . . . . . . . . 6460 1 1568 . 1 1 141 141 LEU HB2 H 1 1.490 0.02 . 2 . . . . . . . . 6460 1 1569 . 1 1 141 141 LEU CG C 13 26.320 0.30 . 1 . . . . . . . . 6460 1 1570 . 1 1 141 141 LEU HG H 1 0.204 0.02 . 1 . . . . . . . . 6460 1 1571 . 1 1 141 141 LEU CD1 C 13 23.320 0.30 . 2 . . . . . . . . 6460 1 1572 . 1 1 141 141 LEU HD11 H 1 0.877 0.02 . 1 . . . . . . . . 6460 1 1573 . 1 1 141 141 LEU HD12 H 1 0.877 0.02 . 1 . . . . . . . . 6460 1 1574 . 1 1 141 141 LEU HD13 H 1 0.877 0.02 . 1 . . . . . . . . 6460 1 1575 . 1 1 141 141 LEU C C 13 177.970 0.30 . 1 . . . . . . . . 6460 1 1576 . 1 1 142 142 ALA N N 15 119.280 0.30 . 1 . . . . . . . . 6460 1 1577 . 1 1 142 142 ALA H H 1 8.387 0.02 . 1 . . . . . . . . 6460 1 1578 . 1 1 142 142 ALA CA C 13 55.570 0.30 . 1 . . . . . . . . 6460 1 1579 . 1 1 142 142 ALA HA H 1 4.073 0.02 . 1 . . . . . . . . 6460 1 1580 . 1 1 142 142 ALA CB C 13 18.500 0.30 . 1 . . . . . . . . 6460 1 1581 . 1 1 142 142 ALA HB1 H 1 1.493 0.02 . 1 . . . . . . . . 6460 1 1582 . 1 1 142 142 ALA HB2 H 1 1.493 0.02 . 1 . . . . . . . . 6460 1 1583 . 1 1 142 142 ALA HB3 H 1 1.493 0.02 . 1 . . . . . . . . 6460 1 1584 . 1 1 142 142 ALA C C 13 178.700 0.30 . 1 . . . . . . . . 6460 1 1585 . 1 1 143 143 LYS N N 15 115.840 0.30 . 1 . . . . . . . . 6460 1 1586 . 1 1 143 143 LYS H H 1 7.414 0.02 . 1 . . . . . . . . 6460 1 1587 . 1 1 143 143 LYS CA C 13 59.440 0.30 . 1 . . . . . . . . 6460 1 1588 . 1 1 143 143 LYS HA H 1 3.959 0.02 . 1 . . . . . . . . 6460 1 1589 . 1 1 143 143 LYS CB C 13 32.520 0.30 . 1 . . . . . . . . 6460 1 1590 . 1 1 143 143 LYS HB3 H 1 1.950 0.02 . 2 . . . . . . . . 6460 1 1591 . 1 1 143 143 LYS HB2 H 1 2.010 0.02 . 2 . . . . . . . . 6460 1 1592 . 1 1 143 143 LYS CG C 13 25.230 0.30 . 1 . . . . . . . . 6460 1 1593 . 1 1 143 143 LYS HG3 H 1 1.644 0.02 . 2 . . . . . . . . 6460 1 1594 . 1 1 143 143 LYS HG2 H 1 1.512 0.02 . 2 . . . . . . . . 6460 1 1595 . 1 1 143 143 LYS CD C 13 29.290 0.30 . 1 . . . . . . . . 6460 1 1596 . 1 1 143 143 LYS HD3 H 1 1.697 0.02 . 2 . . . . . . . . 6460 1 1597 . 1 1 143 143 LYS CE C 13 42.300 0.30 . 1 . . . . . . . . 6460 1 1598 . 1 1 143 143 LYS HE3 H 1 3.001 0.02 . 2 . . . . . . . . 6460 1 1599 . 1 1 143 143 LYS C C 13 179.640 0.30 . 1 . . . . . . . . 6460 1 1600 . 1 1 144 144 GLN N N 15 120.540 0.30 . 1 . . . . . . . . 6460 1 1601 . 1 1 144 144 GLN H H 1 8.224 0.02 . 1 . . . . . . . . 6460 1 1602 . 1 1 144 144 GLN CA C 13 58.880 0.30 . 1 . . . . . . . . 6460 1 1603 . 1 1 144 144 GLN HA H 1 4.063 0.02 . 1 . . . . . . . . 6460 1 1604 . 1 1 144 144 GLN CB C 13 28.830 0.30 . 1 . . . . . . . . 6460 1 1605 . 1 1 144 144 GLN HB3 H 1 2.374 0.02 . 2 . . . . . . . . 6460 1 1606 . 1 1 144 144 GLN HB2 H 1 2.200 0.02 . 2 . . . . . . . . 6460 1 1607 . 1 1 144 144 GLN CG C 13 34.000 0.30 . 1 . . . . . . . . 6460 1 1608 . 1 1 144 144 GLN HG3 H 1 2.389 0.02 . 2 . . . . . . . . 6460 1 1609 . 1 1 144 144 GLN HG2 H 1 2.470 0.02 . 2 . . . . . . . . 6460 1 1610 . 1 1 144 144 GLN NE2 N 15 109.280 0.30 . 1 . . . . . . . . 6460 1 1611 . 1 1 144 144 GLN HE21 H 1 7.076 0.02 . 2 . . . . . . . . 6460 1 1612 . 1 1 144 144 GLN HE22 H 1 6.470 0.02 . 2 . . . . . . . . 6460 1 1613 . 1 1 144 144 GLN C C 13 178.870 0.30 . 1 . . . . . . . . 6460 1 1614 . 1 1 145 145 LEU N N 15 118.730 0.30 . 1 . . . . . . . . 6460 1 1615 . 1 1 145 145 LEU H H 1 8.275 0.02 . 1 . . . . . . . . 6460 1 1616 . 1 1 145 145 LEU CA C 13 56.670 0.30 . 1 . . . . . . . . 6460 1 1617 . 1 1 145 145 LEU HA H 1 4.254 0.02 . 1 . . . . . . . . 6460 1 1618 . 1 1 145 145 LEU CB C 13 42.080 0.30 . 1 . . . . . . . . 6460 1 1619 . 1 1 145 145 LEU HB3 H 1 1.943 0.02 . 2 . . . . . . . . 6460 1 1620 . 1 1 145 145 LEU HB2 H 1 1.536 0.02 . 2 . . . . . . . . 6460 1 1621 . 1 1 145 145 LEU CG C 13 26.980 0.30 . 1 . . . . . . . . 6460 1 1622 . 1 1 145 145 LEU HG H 1 2.049 0.02 . 1 . . . . . . . . 6460 1 1623 . 1 1 145 145 LEU CD1 C 13 26.800 0.30 . 2 . . . . . . . . 6460 1 1624 . 1 1 145 145 LEU HD11 H 1 0.888 0.02 . 1 . . . . . . . . 6460 1 1625 . 1 1 145 145 LEU HD12 H 1 0.888 0.02 . 1 . . . . . . . . 6460 1 1626 . 1 1 145 145 LEU HD13 H 1 0.888 0.02 . 1 . . . . . . . . 6460 1 1627 . 1 1 145 145 LEU CD2 C 13 22.370 0.30 . 2 . . . . . . . . 6460 1 1628 . 1 1 145 145 LEU HD21 H 1 0.908 0.02 . 1 . . . . . . . . 6460 1 1629 . 1 1 145 145 LEU HD22 H 1 0.908 0.02 . 1 . . . . . . . . 6460 1 1630 . 1 1 145 145 LEU HD23 H 1 0.908 0.02 . 1 . . . . . . . . 6460 1 1631 . 1 1 145 145 LEU C C 13 178.770 0.30 . 1 . . . . . . . . 6460 1 1632 . 1 1 146 146 LYS N N 15 119.550 0.30 . 1 . . . . . . . . 6460 1 1633 . 1 1 146 146 LYS H H 1 7.737 0.02 . 1 . . . . . . . . 6460 1 1634 . 1 1 146 146 LYS CA C 13 57.960 0.30 . 1 . . . . . . . . 6460 1 1635 . 1 1 146 146 LYS HA H 1 4.093 0.02 . 1 . . . . . . . . 6460 1 1636 . 1 1 146 146 LYS CB C 13 32.800 0.30 . 1 . . . . . . . . 6460 1 1637 . 1 1 146 146 LYS HB3 H 1 1.994 0.02 . 2 . . . . . . . . 6460 1 1638 . 1 1 146 146 LYS HB2 H 1 1.890 0.02 . 2 . . . . . . . . 6460 1 1639 . 1 1 146 146 LYS CG C 13 25.230 0.30 . 1 . . . . . . . . 6460 1 1640 . 1 1 146 146 LYS HG3 H 1 1.646 0.02 . 2 . . . . . . . . 6460 1 1641 . 1 1 146 146 LYS HG2 H 1 1.541 0.02 . 2 . . . . . . . . 6460 1 1642 . 1 1 146 146 LYS CD C 13 29.660 0.30 . 1 . . . . . . . . 6460 1 1643 . 1 1 146 146 LYS HD3 H 1 1.769 0.02 . 2 . . . . . . . . 6460 1 1644 . 1 1 146 146 LYS CE C 13 42.200 0.30 . 1 . . . . . . . . 6460 1 1645 . 1 1 146 146 LYS HE3 H 1 3.061 0.02 . 2 . . . . . . . . 6460 1 1646 . 1 1 146 146 LYS C C 13 177.420 0.30 . 1 . . . . . . . . 6460 1 1647 . 1 1 147 147 LYS N N 15 120.270 0.30 . 1 . . . . . . . . 6460 1 1648 . 1 1 147 147 LYS H H 1 7.667 0.02 . 1 . . . . . . . . 6460 1 1649 . 1 1 147 147 LYS CA C 13 57.580 0.30 . 1 . . . . . . . . 6460 1 1650 . 1 1 147 147 LYS HA H 1 4.218 0.02 . 1 . . . . . . . . 6460 1 1651 . 1 1 147 147 LYS CB C 13 32.700 0.30 . 1 . . . . . . . . 6460 1 1652 . 1 1 147 147 LYS HB3 H 1 1.913 0.02 . 2 . . . . . . . . 6460 1 1653 . 1 1 147 147 LYS CG C 13 24.860 0.30 . 1 . . . . . . . . 6460 1 1654 . 1 1 147 147 LYS HG3 H 1 1.548 0.02 . 2 . . . . . . . . 6460 1 1655 . 1 1 147 147 LYS CD C 13 29.290 0.30 . 1 . . . . . . . . 6460 1 1656 . 1 1 147 147 LYS HD3 H 1 1.704 0.02 . 2 . . . . . . . . 6460 1 1657 . 1 1 147 147 LYS CE C 13 42.190 0.30 . 1 . . . . . . . . 6460 1 1658 . 1 1 147 147 LYS HE3 H 1 3.015 0.02 . 2 . . . . . . . . 6460 1 1659 . 1 1 147 147 LYS C C 13 176.730 0.30 . 1 . . . . . . . . 6460 1 1660 . 1 1 148 148 ASP N N 15 120.380 0.30 . 1 . . . . . . . . 6460 1 1661 . 1 1 148 148 ASP H H 1 8.048 0.02 . 1 . . . . . . . . 6460 1 1662 . 1 1 148 148 ASP CA C 13 54.830 0.30 . 1 . . . . . . . . 6460 1 1663 . 1 1 148 148 ASP HA H 1 4.630 0.02 . 1 . . . . . . . . 6460 1 1664 . 1 1 148 148 ASP CB C 13 41.370 0.30 . 1 . . . . . . . . 6460 1 1665 . 1 1 148 148 ASP HB3 H 1 2.782 0.02 . 2 . . . . . . . . 6460 1 1666 . 1 1 148 148 ASP HB2 H 1 2.640 0.02 . 2 . . . . . . . . 6460 1 1667 . 1 1 148 148 ASP C C 13 175.950 0.30 . 1 . . . . . . . . 6460 1 1668 . 1 1 149 149 ARG N N 15 121.520 0.30 . 1 . . . . . . . . 6460 1 1669 . 1 1 149 149 ARG H H 1 8.034 0.02 . 1 . . . . . . . . 6460 1 1670 . 1 1 149 149 ARG CA C 13 56.120 0.30 . 1 . . . . . . . . 6460 1 1671 . 1 1 149 149 ARG HA H 1 4.363 0.02 . 1 . . . . . . . . 6460 1 1672 . 1 1 149 149 ARG CB C 13 30.300 0.30 . 1 . . . . . . . . 6460 1 1673 . 1 1 149 149 ARG HB3 H 1 1.959 0.02 . 2 . . . . . . . . 6460 1 1674 . 1 1 149 149 ARG HB2 H 1 1.827 0.02 . 2 . . . . . . . . 6460 1 1675 . 1 1 149 149 ARG CG C 13 26.980 0.30 . 1 . . . . . . . . 6460 1 1676 . 1 1 149 149 ARG HG3 H 1 1.690 0.02 . 2 . . . . . . . . 6460 1 1677 . 1 1 149 149 ARG CD C 13 43.580 0.30 . 1 . . . . . . . . 6460 1 1678 . 1 1 149 149 ARG HD3 H 1 3.231 0.02 . 2 . . . . . . . . 6460 1 1679 . 1 1 149 149 ARG C C 13 175.440 0.30 . 1 . . . . . . . . 6460 1 1680 . 1 1 150 150 ARG N N 15 127.980 0.30 . 1 . . . . . . . . 6460 1 1681 . 1 1 150 150 ARG H H 1 7.989 0.02 . 1 . . . . . . . . 6460 1 1682 . 1 1 150 150 ARG CA C 13 57.500 0.30 . 1 . . . . . . . . 6460 1 1683 . 1 1 150 150 ARG HA H 1 4.171 0.02 . 1 . . . . . . . . 6460 1 1684 . 1 1 150 150 ARG CB C 13 31.450 0.30 . 1 . . . . . . . . 6460 1 1685 . 1 1 150 150 ARG HB3 H 1 1.901 0.02 . 2 . . . . . . . . 6460 1 1686 . 1 1 150 150 ARG HB2 H 1 1.742 0.02 . 2 . . . . . . . . 6460 1 1687 . 1 1 150 150 ARG CG C 13 27.260 0.30 . 1 . . . . . . . . 6460 1 1688 . 1 1 150 150 ARG HG3 H 1 1.636 0.02 . 2 . . . . . . . . 6460 1 1689 . 1 1 150 150 ARG CD C 13 43.580 0.30 . 1 . . . . . . . . 6460 1 1690 . 1 1 150 150 ARG HD3 H 1 3.220 0.02 . 2 . . . . . . . . 6460 1 1691 . 1 1 150 150 ARG C C 13 181.210 0.30 . 1 . . . . . . . . 6460 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 361 6460 1 1 125 6460 1 2 375 6460 1 2 126 6460 1 stop_ save_