data_15949 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15949 _Entry.Title ; 1H, 15N, 13C Resonance Assignments of the Reduced and Active Form of Human Protein Tyrosine Phosphatase, PRL-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-09-10 _Entry.Accession_date 2008-09-10 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Andria Skinner . L. . 15949 2 Jennifer Laurence . S. . 15949 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'The University of Kansas, Department of Pharmaceutical Chemistry' . 15949 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15949 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 632 15949 '15N chemical shifts' 148 15949 '1H chemical shifts' 148 15949 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 3 . . 2009-08-20 2008-09-10 update BMRB 'added PubMed ID' 15949 2 . . 2009-05-22 2008-09-10 update BMRB 'complete entry citation' 15949 1 . . 2009-01-15 2008-09-10 original author 'original release' 15949 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5455 'PRL-1 WT NMR Assignments' 15949 BMRB 6080 'PRL-1 WT NMR Assignments' 15949 PDB 1r6h 'Crystal Structure of PRL-3' 15949 PDB 1v3a 'Crystal Structure of PRL-3' 15949 PDB 1xm2 'Crystal Structure of PRL-1 C104S' 15949 PDB 1zck 'Crystal Structure of WT PRL-1' 15949 PDB 1zcl 'Crystal Structure of PRL-1 C104S' 15949 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15949 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636948 _Citation.Full_citation . _Citation.Title '1H, 15N, 13C resonance assignments of the reduced and active form of human Protein Tyrosine Phosphatase, PRL-1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 3 _Citation.Journal_issue 1 _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 61 _Citation.Page_last 65 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Andria Skinner . L. . 15949 1 2 Jennifer Laurence . S. . 15949 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'drug screening' 15949 1 oxidation 15949 1 PRL-1 15949 1 PTPase 15949 1 redox 15949 1 reduction 15949 1 'resonance assignments' 15949 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15949 _Assembly.ID 1 _Assembly.Name 'PRL-1 C170-171S monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 19815 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PRL-1-C170-171S 1 $PRL-1-C170-171S A . yes native no no . . . 15949 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PRL-1-C170-171S _Entity.Sf_category entity _Entity.Sf_framecode PRL-1-C170-171S _Entity.Entry_ID 15949 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PRL-1-C170-171S _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 ; MARMNRPAPVEVTYKNMRFL ITHNPTNATLNKFIEELKKY GVTTIVRVCEATYDTTLVEK EGIHVLDWPFDDGAPPSNQI VDDWLSLVKIKFREEPGCCI AVHCVAGLGRAPVLVALALI EGGMKYEDAVQFIRQKRRGA FNSKQLLYLEKYRPKMRLRF KDSNGHRNNSSIQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 173 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'The cysteines in the C-terminus at positions 170 and 171 were both mutated serines' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19815 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 1RXD . "Crystal Structure Of Human Protein Tyrosine Phosphatase 4a1" . . . . . 91.91 159 97.48 97.48 4.77e-110 . . . . 15949 1 2 no PDB 1X24 . "Prl-1 (Ptp4a)" . . . . . 92.49 180 100.00 100.00 3.23e-115 . . . . 15949 1 3 no PDB 1ZCK . "Native Structure Prl-1 (Ptp4a1)" . . . . . 89.02 154 98.05 98.05 6.14e-107 . . . . 15949 1 4 no PDB 1ZCL . "Prl-1 C104s Mutant In Complex With Sulfate" . . . . . 92.49 180 99.38 99.38 4.55e-114 . . . . 15949 1 5 no PDB 3RZ2 . "Crystal Of Prl-1 Complexed With Peptide" . . . . . 97.69 189 100.00 100.00 8.00e-123 . . . . 15949 1 6 no DBJ BAC38233 . "unnamed protein product [Mus musculus]" . . . . . 100.00 173 98.84 98.84 6.42e-124 . . . . 15949 1 7 no DBJ BAE28460 . "unnamed protein product [Mus musculus]" . . . . . 100.00 173 98.84 98.84 6.42e-124 . . . . 15949 1 8 no DBJ BAE29619 . "unnamed protein product [Mus musculus]" . . . . . 100.00 173 98.84 98.84 6.42e-124 . . . . 15949 1 9 no DBJ BAE30480 . "unnamed protein product [Mus musculus]" . . . . . 100.00 173 98.84 98.84 6.42e-124 . . . . 15949 1 10 no DBJ BAE90330 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 173 98.84 98.84 6.42e-124 . . . . 15949 1 11 no EMBL CAH18292 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 173 98.84 98.84 6.42e-124 . . . . 15949 1 12 no EMBL CAH92262 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 173 97.69 97.69 4.82e-122 . . . . 15949 1 13 no GB AAA41935 . "tyrosine phosphatase [Rattus norvegicus]" . . . . . 100.00 173 98.84 98.84 6.42e-124 . . . . 15949 1 14 no GB AAB40597 . "protein tyrosine phosphatase PTPCAAX1 [Homo sapiens]" . . . . . 100.00 173 98.84 98.84 6.42e-124 . . . . 15949 1 15 no GB AAB58913 . "protein tyrosine phosphatase [Mus musculus]" . . . . . 100.00 173 98.84 98.84 6.42e-124 . . . . 15949 1 16 no GB AAC39836 . "tyrosine phosphatase [Homo sapiens]" . . . . . 100.00 173 98.84 98.84 6.42e-124 . . . . 15949 1 17 no GB AAF05715 . "protein tyrosine phosphatase [Macaca fascicularis]" . . . . . 100.00 173 98.84 98.84 6.42e-124 . . . . 15949 1 18 no PIR A56059 . "protein-tyrosine-phosphatase (EC 3.1.3.48) PRL-1 - rat" . . . . . 100.00 173 98.84 98.84 6.42e-124 . . . . 15949 1 19 no REF NP_001126324 . "protein tyrosine phosphatase type IVA 1 [Pongo abelii]" . . . . . 100.00 173 97.69 97.69 4.82e-122 . . . . 15949 1 20 no REF NP_001193053 . "protein tyrosine phosphatase type IVA 1 [Bos taurus]" . . . . . 100.00 173 97.11 98.84 3.18e-122 . . . . 15949 1 21 no REF NP_001233568 . "protein tyrosine phosphatase type IVA 1 [Pan troglodytes]" . . . . . 100.00 173 98.84 98.84 6.42e-124 . . . . 15949 1 22 no REF NP_003454 . "protein tyrosine phosphatase type IVA 1 [Homo sapiens]" . . . . . 100.00 173 98.84 98.84 6.42e-124 . . . . 15949 1 23 no REF NP_035330 . "protein tyrosine phosphatase type IVA 1 [Mus musculus]" . . . . . 100.00 173 98.84 98.84 6.42e-124 . . . . 15949 1 24 no SP Q5R7J8 . "RecName: Full=Protein tyrosine phosphatase type IVA 1; AltName: Full=Protein-tyrosine phosphatase 4a1; AltName: Full=Protein-ty" . . . . . 100.00 173 97.69 97.69 4.82e-122 . . . . 15949 1 25 no SP Q63739 . "RecName: Full=Protein tyrosine phosphatase type IVA 1; AltName: Full=Protein-tyrosine phosphatase 4a1; AltName: Full=Protein-ty" . . . . . 100.00 173 98.84 98.84 6.42e-124 . . . . 15949 1 26 no SP Q78EG7 . "RecName: Full=Protein tyrosine phosphatase type IVA 1; AltName: Full=Protein-tyrosine phosphatase 4a1; AltName: Full=Protein-ty" . . . . . 100.00 173 98.84 98.84 6.42e-124 . . . . 15949 1 27 no SP Q93096 . "RecName: Full=Protein tyrosine phosphatase type IVA 1; AltName: Full=PTP(CAAXI); AltName: Full=Protein-tyrosine phosphatase 4a1" . . . . . 100.00 173 98.84 98.84 6.42e-124 . . . . 15949 1 28 no SP Q9TSM6 . "RecName: Full=Protein tyrosine phosphatase type IVA 1; AltName: Full=Protein-tyrosine phosphatase 4a1; AltName: Full=Protein-ty" . . . . . 100.00 173 98.84 98.84 6.42e-124 . . . . 15949 1 29 no TPG DAA26421 . "TPA: protein tyrosine phosphatase type IVA, member 1 isoform 1 [Bos taurus]" . . . . . 100.00 173 97.11 98.84 3.18e-122 . . . . 15949 1 30 no TPG DAA26422 . "TPA: protein tyrosine phosphatase type IVA, member 1 isoform 2 [Bos taurus]" . . . . . 100.00 173 97.11 98.84 3.18e-122 . . . . 15949 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'protein tyrosine phosphatase' 15949 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 . 15949 1 2 . ALA . 15949 1 3 . ARG . 15949 1 4 . MET . 15949 1 5 . ASN . 15949 1 6 . ARG . 15949 1 7 . PRO . 15949 1 8 . ALA . 15949 1 9 . PRO . 15949 1 10 . VAL . 15949 1 11 . GLU . 15949 1 12 . VAL . 15949 1 13 . THR . 15949 1 14 . TYR . 15949 1 15 . LYS . 15949 1 16 . ASN . 15949 1 17 . MET . 15949 1 18 . ARG . 15949 1 19 . PHE . 15949 1 20 . LEU . 15949 1 21 . ILE . 15949 1 22 . THR . 15949 1 23 . HIS . 15949 1 24 . ASN . 15949 1 25 . PRO . 15949 1 26 . THR . 15949 1 27 . ASN . 15949 1 28 . ALA . 15949 1 29 . THR . 15949 1 30 . LEU . 15949 1 31 . ASN . 15949 1 32 . LYS . 15949 1 33 . PHE . 15949 1 34 . ILE . 15949 1 35 . GLU . 15949 1 36 . GLU . 15949 1 37 . LEU . 15949 1 38 . LYS . 15949 1 39 . LYS . 15949 1 40 . TYR . 15949 1 41 . GLY . 15949 1 42 . VAL . 15949 1 43 . THR . 15949 1 44 . THR . 15949 1 45 . ILE . 15949 1 46 . VAL . 15949 1 47 . ARG . 15949 1 48 . VAL . 15949 1 49 . CYS . 15949 1 50 . GLU . 15949 1 51 . ALA . 15949 1 52 . THR . 15949 1 53 . TYR . 15949 1 54 . ASP . 15949 1 55 . THR . 15949 1 56 . THR . 15949 1 57 . LEU . 15949 1 58 . VAL . 15949 1 59 . GLU . 15949 1 60 . LYS . 15949 1 61 . GLU . 15949 1 62 . GLY . 15949 1 63 . ILE . 15949 1 64 . HIS . 15949 1 65 . VAL . 15949 1 66 . LEU . 15949 1 67 . ASP . 15949 1 68 . TRP . 15949 1 69 . PRO . 15949 1 70 . PHE . 15949 1 71 . ASP . 15949 1 72 . ASP . 15949 1 73 . GLY . 15949 1 74 . ALA . 15949 1 75 . PRO . 15949 1 76 . PRO . 15949 1 77 . SER . 15949 1 78 . ASN . 15949 1 79 . GLN . 15949 1 80 . ILE . 15949 1 81 . VAL . 15949 1 82 . ASP . 15949 1 83 . ASP . 15949 1 84 . TRP . 15949 1 85 . LEU . 15949 1 86 . SER . 15949 1 87 . LEU . 15949 1 88 . VAL . 15949 1 89 . LYS . 15949 1 90 . ILE . 15949 1 91 . LYS . 15949 1 92 . PHE . 15949 1 93 . ARG . 15949 1 94 . GLU . 15949 1 95 . GLU . 15949 1 96 . PRO . 15949 1 97 . GLY . 15949 1 98 . CYS . 15949 1 99 . CYS . 15949 1 100 . ILE . 15949 1 101 . ALA . 15949 1 102 . VAL . 15949 1 103 . HIS . 15949 1 104 . CYS . 15949 1 105 . VAL . 15949 1 106 . ALA . 15949 1 107 . GLY . 15949 1 108 . LEU . 15949 1 109 . GLY . 15949 1 110 . ARG . 15949 1 111 . ALA . 15949 1 112 . PRO . 15949 1 113 . VAL . 15949 1 114 . LEU . 15949 1 115 . VAL . 15949 1 116 . ALA . 15949 1 117 . LEU . 15949 1 118 . ALA . 15949 1 119 . LEU . 15949 1 120 . ILE . 15949 1 121 . GLU . 15949 1 122 . GLY . 15949 1 123 . GLY . 15949 1 124 . MET . 15949 1 125 . LYS . 15949 1 126 . TYR . 15949 1 127 . GLU . 15949 1 128 . ASP . 15949 1 129 . ALA . 15949 1 130 . VAL . 15949 1 131 . GLN . 15949 1 132 . PHE . 15949 1 133 . ILE . 15949 1 134 . ARG . 15949 1 135 . GLN . 15949 1 136 . LYS . 15949 1 137 . ARG . 15949 1 138 . ARG . 15949 1 139 . GLY . 15949 1 140 . ALA . 15949 1 141 . PHE . 15949 1 142 . ASN . 15949 1 143 . SER . 15949 1 144 . LYS . 15949 1 145 . GLN . 15949 1 146 . LEU . 15949 1 147 . LEU . 15949 1 148 . TYR . 15949 1 149 . LEU . 15949 1 150 . GLU . 15949 1 151 . LYS . 15949 1 152 . TYR . 15949 1 153 . ARG . 15949 1 154 . PRO . 15949 1 155 . LYS . 15949 1 156 . MET . 15949 1 157 . ARG . 15949 1 158 . LEU . 15949 1 159 . ARG . 15949 1 160 . PHE . 15949 1 161 . LYS . 15949 1 162 . ASP . 15949 1 163 . SER . 15949 1 164 . ASN . 15949 1 165 . GLY . 15949 1 166 . HIS . 15949 1 167 . ARG . 15949 1 168 . ASN . 15949 1 169 . ASN . 15949 1 170 . SER . 15949 1 171 . SER . 15949 1 172 . ILE . 15949 1 173 . GLN . 15949 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 15949 1 . ALA 2 2 15949 1 . ARG 3 3 15949 1 . MET 4 4 15949 1 . ASN 5 5 15949 1 . ARG 6 6 15949 1 . PRO 7 7 15949 1 . ALA 8 8 15949 1 . PRO 9 9 15949 1 . VAL 10 10 15949 1 . GLU 11 11 15949 1 . VAL 12 12 15949 1 . THR 13 13 15949 1 . TYR 14 14 15949 1 . LYS 15 15 15949 1 . ASN 16 16 15949 1 . MET 17 17 15949 1 . ARG 18 18 15949 1 . PHE 19 19 15949 1 . LEU 20 20 15949 1 . ILE 21 21 15949 1 . THR 22 22 15949 1 . HIS 23 23 15949 1 . ASN 24 24 15949 1 . PRO 25 25 15949 1 . THR 26 26 15949 1 . ASN 27 27 15949 1 . ALA 28 28 15949 1 . THR 29 29 15949 1 . LEU 30 30 15949 1 . ASN 31 31 15949 1 . LYS 32 32 15949 1 . PHE 33 33 15949 1 . ILE 34 34 15949 1 . GLU 35 35 15949 1 . GLU 36 36 15949 1 . LEU 37 37 15949 1 . LYS 38 38 15949 1 . LYS 39 39 15949 1 . TYR 40 40 15949 1 . GLY 41 41 15949 1 . VAL 42 42 15949 1 . THR 43 43 15949 1 . THR 44 44 15949 1 . ILE 45 45 15949 1 . VAL 46 46 15949 1 . ARG 47 47 15949 1 . VAL 48 48 15949 1 . CYS 49 49 15949 1 . GLU 50 50 15949 1 . ALA 51 51 15949 1 . THR 52 52 15949 1 . TYR 53 53 15949 1 . ASP 54 54 15949 1 . THR 55 55 15949 1 . THR 56 56 15949 1 . LEU 57 57 15949 1 . VAL 58 58 15949 1 . GLU 59 59 15949 1 . LYS 60 60 15949 1 . GLU 61 61 15949 1 . GLY 62 62 15949 1 . ILE 63 63 15949 1 . HIS 64 64 15949 1 . VAL 65 65 15949 1 . LEU 66 66 15949 1 . ASP 67 67 15949 1 . TRP 68 68 15949 1 . PRO 69 69 15949 1 . PHE 70 70 15949 1 . ASP 71 71 15949 1 . ASP 72 72 15949 1 . GLY 73 73 15949 1 . ALA 74 74 15949 1 . PRO 75 75 15949 1 . PRO 76 76 15949 1 . SER 77 77 15949 1 . ASN 78 78 15949 1 . GLN 79 79 15949 1 . ILE 80 80 15949 1 . VAL 81 81 15949 1 . ASP 82 82 15949 1 . ASP 83 83 15949 1 . TRP 84 84 15949 1 . LEU 85 85 15949 1 . SER 86 86 15949 1 . LEU 87 87 15949 1 . VAL 88 88 15949 1 . LYS 89 89 15949 1 . ILE 90 90 15949 1 . LYS 91 91 15949 1 . PHE 92 92 15949 1 . ARG 93 93 15949 1 . GLU 94 94 15949 1 . GLU 95 95 15949 1 . PRO 96 96 15949 1 . GLY 97 97 15949 1 . CYS 98 98 15949 1 . CYS 99 99 15949 1 . ILE 100 100 15949 1 . ALA 101 101 15949 1 . VAL 102 102 15949 1 . HIS 103 103 15949 1 . CYS 104 104 15949 1 . VAL 105 105 15949 1 . ALA 106 106 15949 1 . GLY 107 107 15949 1 . LEU 108 108 15949 1 . GLY 109 109 15949 1 . ARG 110 110 15949 1 . ALA 111 111 15949 1 . PRO 112 112 15949 1 . VAL 113 113 15949 1 . LEU 114 114 15949 1 . VAL 115 115 15949 1 . ALA 116 116 15949 1 . LEU 117 117 15949 1 . ALA 118 118 15949 1 . LEU 119 119 15949 1 . ILE 120 120 15949 1 . GLU 121 121 15949 1 . GLY 122 122 15949 1 . GLY 123 123 15949 1 . MET 124 124 15949 1 . LYS 125 125 15949 1 . TYR 126 126 15949 1 . GLU 127 127 15949 1 . ASP 128 128 15949 1 . ALA 129 129 15949 1 . VAL 130 130 15949 1 . GLN 131 131 15949 1 . PHE 132 132 15949 1 . ILE 133 133 15949 1 . ARG 134 134 15949 1 . GLN 135 135 15949 1 . LYS 136 136 15949 1 . ARG 137 137 15949 1 . ARG 138 138 15949 1 . GLY 139 139 15949 1 . ALA 140 140 15949 1 . PHE 141 141 15949 1 . ASN 142 142 15949 1 . SER 143 143 15949 1 . LYS 144 144 15949 1 . GLN 145 145 15949 1 . LEU 146 146 15949 1 . LEU 147 147 15949 1 . TYR 148 148 15949 1 . LEU 149 149 15949 1 . GLU 150 150 15949 1 . LYS 151 151 15949 1 . TYR 152 152 15949 1 . ARG 153 153 15949 1 . PRO 154 154 15949 1 . LYS 155 155 15949 1 . MET 156 156 15949 1 . ARG 157 157 15949 1 . LEU 158 158 15949 1 . ARG 159 159 15949 1 . PHE 160 160 15949 1 . LYS 161 161 15949 1 . ASP 162 162 15949 1 . SER 163 163 15949 1 . ASN 164 164 15949 1 . GLY 165 165 15949 1 . HIS 166 166 15949 1 . ARG 167 167 15949 1 . ASN 168 168 15949 1 . ASN 169 169 15949 1 . SER 170 170 15949 1 . SER 171 171 15949 1 . ILE 172 172 15949 1 . GLN 173 173 15949 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 15949 _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 $PRL-1-C170-171S . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . . . . . . 15949 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 15949 _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 $PRL-1-C170-171S . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET32XaLIC . . . . . . 15949 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15949 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PRL-1-C170-171S . . . 1 $PRL-1-C170-171S . . . . . mM . . . . 15949 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15949 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15949 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15949 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.169 . M 15949 1 pH 6.5 . pH 15949 1 pressure 1 . atm 15949 1 temperature 310 . K 15949 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15949 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15949 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15949 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 15949 _Software.ID 2 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15949 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15949 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15949 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15949 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15949 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15949 _Software.ID 4 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15949 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15949 4 'peak picking' 15949 4 stop_ save_ save_PISTACHIO _Software.Sf_category software _Software.Sf_framecode PISTACHIO _Software.Entry_ID 15949 _Software.ID 5 _Software.Name PISTACHIO _Software.Version PINE _Software.Details 'Used through the PINE server' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Eghbalnia, Bahrami, Wang, Assadi and Markley' . . 15949 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15949 5 refinement 15949 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15949 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15949 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 15949 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 15949 _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 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15949 1 2 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15949 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15949 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15949 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15949 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15949 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15949 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15949 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15949 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15949 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D CBCA(CO)NH' . . . 15949 1 2 '3D C(CO)NH' . . . 15949 1 3 '3D HNCACB' . . . 15949 1 4 '3D HNCO' . . . 15949 1 5 '2D 1H-15N HSQC' . . . 15949 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $TOPSPIN . . 15949 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA C C 13 178.201 0 . . . . . . 2 Ala CO . 15949 1 2 . 1 1 2 2 ALA CA C 13 52.589 0 . . . . . . 2 Ala CA . 15949 1 3 . 1 1 2 2 ALA CB C 13 19.21 0 . . . . . . 2 Ala CB . 15949 1 4 . 1 1 3 3 ARG H H 1 8.343 0.015 . . . . . . 3 Arg H . 15949 1 5 . 1 1 3 3 ARG C C 13 183.336 0 . . . . . . 3 Arg CO . 15949 1 6 . 1 1 3 3 ARG CA C 13 53.374 0.062 . . . . . . 3 Arg CA . 15949 1 7 . 1 1 3 3 ARG CB C 13 38.858 0 . . . . . . 3 Arg CB . 15949 1 8 . 1 1 3 3 ARG N N 15 120.791 0.078 . . . . . . 3 Arg N . 15949 1 9 . 1 1 4 4 MET H H 1 7.911 0.004 . . . . . . 4 Met H . 15949 1 10 . 1 1 4 4 MET CA C 13 58.868 0 . . . . . . 4 Met CA . 15949 1 11 . 1 1 4 4 MET CB C 13 31.999 0 . . . . . . 4 Met CB . 15949 1 12 . 1 1 4 4 MET N N 15 120.428 0.055 . . . . . . 4 Met N . 15949 1 13 . 1 1 5 5 ASN C C 13 182.006 0 . . . . . . 5 Asn CO . 15949 1 14 . 1 1 5 5 ASN CA C 13 53.212 0.07 . . . . . . 5 Asn CA . 15949 1 15 . 1 1 5 5 ASN CB C 13 39.038 0.036 . . . . . . 5 Asn CB . 15949 1 16 . 1 1 6 6 ARG H H 1 8.166 0.003 . . . . . . 6 Arg H . 15949 1 17 . 1 1 6 6 ARG CA C 13 54.029 0 . . . . . . 6 Arg CA . 15949 1 18 . 1 1 6 6 ARG CB C 13 30 0 . . . . . . 6 Arg CB . 15949 1 19 . 1 1 6 6 ARG N N 15 122.451 0.088 . . . . . . 6 Arg N . 15949 1 20 . 1 1 9 9 PRO C C 13 181.54 0 . . . . . . 9 Pro CO . 15949 1 21 . 1 1 9 9 PRO CA C 13 62.847 0.047 . . . . . . 9 Pro CA . 15949 1 22 . 1 1 9 9 PRO CB C 13 32.317 0.04 . . . . . . 9 Pro CB . 15949 1 23 . 1 1 9 9 PRO CG C 13 27.213 0 . . . . . . 9 Pro CG . 15949 1 24 . 1 1 10 10 VAL H H 1 8.047 0.002 . . . . . . 10 Val H . 15949 1 25 . 1 1 10 10 VAL C C 13 183.861 0 . . . . . . 10 Val CO . 15949 1 26 . 1 1 10 10 VAL CA C 13 60.727 0.014 . . . . . . 10 Val CA . 15949 1 27 . 1 1 10 10 VAL CB C 13 34.74 0.048 . . . . . . 10 Val CB . 15949 1 28 . 1 1 10 10 VAL CG1 C 13 21.169 0 . . . . . . 10 Val CG# . 15949 1 29 . 1 1 10 10 VAL CG2 C 13 21.169 0 . . . . . . 10 Val CG# . 15949 1 30 . 1 1 10 10 VAL N N 15 118.191 0.066 . . . . . . 10 Val N . 15949 1 31 . 1 1 11 11 GLU H H 1 8.65 0.002 . . . . . . 11 Glu H . 15949 1 32 . 1 1 11 11 GLU C C 13 181.608 0 . . . . . . 11 Glu CO . 15949 1 33 . 1 1 11 11 GLU CA C 13 54.835 0.023 . . . . . . 11 Glu CA . 15949 1 34 . 1 1 11 11 GLU CB C 13 32.05 0.044 . . . . . . 11 Glu CB . 15949 1 35 . 1 1 11 11 GLU CG C 13 37.091 0 . . . . . . 11 Glu CG . 15949 1 36 . 1 1 11 11 GLU N N 15 129.67 0.067 . . . . . . 11 Glu N . 15949 1 37 . 1 1 12 12 VAL H H 1 9.208 0.003 . . . . . . 12 Val H . 15949 1 38 . 1 1 12 12 VAL C C 13 182.976 0 . . . . . . 12 Val CO . 15949 1 39 . 1 1 12 12 VAL CA C 13 61.736 0.038 . . . . . . 12 Val CA . 15949 1 40 . 1 1 12 12 VAL CB C 13 34.892 0.024 . . . . . . 12 Val CB . 15949 1 41 . 1 1 12 12 VAL CG1 C 13 21.688 0 . . . . . . 12 Val CG1 . 15949 1 42 . 1 1 12 12 VAL CG2 C 13 20.075 0 . . . . . . 12 Val CG2 . 15949 1 43 . 1 1 12 12 VAL N N 15 126.86 0.064 . . . . . . 12 Val N . 15949 1 44 . 1 1 13 13 THR H H 1 8.655 0.019 . . . . . . 13 Thr H . 15949 1 45 . 1 1 13 13 THR C C 13 183.717 0 . . . . . . 13 Thr CO . 15949 1 46 . 1 1 13 13 THR CA C 13 60.526 0.005 . . . . . . 13 Thr CA . 15949 1 47 . 1 1 13 13 THR CB C 13 70.618 0.021 . . . . . . 13 Thr CB . 15949 1 48 . 1 1 13 13 THR CG2 C 13 21.766 0 . . . . . . 13 Thr CG . 15949 1 49 . 1 1 13 13 THR N N 15 122.23 0.06 . . . . . . 13 Thr N . 15949 1 50 . 1 1 14 14 TYR H H 1 8.259 0.002 . . . . . . 14 Tyr H . 15949 1 51 . 1 1 14 14 TYR C C 13 183.932 0 . . . . . . 14 Tyr CO . 15949 1 52 . 1 1 14 14 TYR CA C 13 57.949 0.057 . . . . . . 14 Tyr CA . 15949 1 53 . 1 1 14 14 TYR CB C 13 41.402 0.042 . . . . . . 14 Tyr CB . 15949 1 54 . 1 1 14 14 TYR N N 15 124.136 0.061 . . . . . . 14 Tyr N . 15949 1 55 . 1 1 15 15 LYS H H 1 8.853 0.002 . . . . . . 15 Lys H . 15949 1 56 . 1 1 15 15 LYS C C 13 181.766 0 . . . . . . 15 Lys CO . 15949 1 57 . 1 1 15 15 LYS CA C 13 58.189 0.055 . . . . . . 15 Lys CA . 15949 1 58 . 1 1 15 15 LYS CB C 13 29.274 0.018 . . . . . . 15 Lys CB . 15949 1 59 . 1 1 15 15 LYS CG C 13 24.582 0 . . . . . . 15 Lys CG . 15949 1 60 . 1 1 15 15 LYS N N 15 125.445 0.061 . . . . . . 15 Lys N . 15949 1 61 . 1 1 16 16 ASN H H 1 8.19 0.002 . . . . . . 16 Asn H . 15949 1 62 . 1 1 16 16 ASN C C 13 183.565 0 . . . . . . 16 Asn CO . 15949 1 63 . 1 1 16 16 ASN CA C 13 53.416 0.041 . . . . . . 16 Asn CA . 15949 1 64 . 1 1 16 16 ASN CB C 13 37.067 0.056 . . . . . . 16 Asn CB . 15949 1 65 . 1 1 16 16 ASN N N 15 119.282 0.075 . . . . . . 16 Asn N . 15949 1 66 . 1 1 17 17 MET H H 1 8.324 0.003 . . . . . . 17 Met H . 15949 1 67 . 1 1 17 17 MET C C 13 182.631 0 . . . . . . 17 Met CO . 15949 1 68 . 1 1 17 17 MET CA C 13 54.915 0.119 . . . . . . 17 Met CA . 15949 1 69 . 1 1 17 17 MET CB C 13 35.159 0.045 . . . . . . 17 Met CB . 15949 1 70 . 1 1 17 17 MET CG C 13 32.209 0 . . . . . . 17 Met CG . 15949 1 71 . 1 1 17 17 MET N N 15 119.3 0.063 . . . . . . 17 Met N . 15949 1 72 . 1 1 18 18 ARG H H 1 5.924 0.002 . . . . . . 18 Arg H . 15949 1 73 . 1 1 18 18 ARG C C 13 183.962 0 . . . . . . 18 Arg CO . 15949 1 74 . 1 1 18 18 ARG CA C 13 56.639 0.067 . . . . . . 18 Arg CA . 15949 1 75 . 1 1 18 18 ARG CB C 13 33.619 0.04 . . . . . . 18 Arg CB . 15949 1 76 . 1 1 18 18 ARG CD C 13 44.039 0 . . . . . . 18 Arg CD . 15949 1 77 . 1 1 18 18 ARG CG C 13 27.586 0 . . . . . . 18 Arg CG . 15949 1 78 . 1 1 18 18 ARG N N 15 122.271 0.064 . . . . . . 18 Arg N . 15949 1 79 . 1 1 19 19 PHE H H 1 9.185 0.001 . . . . . . 19 Phe H . 15949 1 80 . 1 1 19 19 PHE C C 13 183.002 0 . . . . . . 19 Phe CO . 15949 1 81 . 1 1 19 19 PHE CA C 13 55.517 0.032 . . . . . . 19 Phe CA . 15949 1 82 . 1 1 19 19 PHE CB C 13 44.073 0.075 . . . . . . 19 Phe CB . 15949 1 83 . 1 1 19 19 PHE N N 15 121.057 0.057 . . . . . . 19 Phe N . 15949 1 84 . 1 1 20 20 LEU H H 1 8.558 0.004 . . . . . . 20 Leu H . 15949 1 85 . 1 1 20 20 LEU C C 13 181.55 0 . . . . . . 20 Leu CO . 15949 1 86 . 1 1 20 20 LEU CA C 13 52.692 0.071 . . . . . . 20 Leu CA . 15949 1 87 . 1 1 20 20 LEU CB C 13 46.906 0.057 . . . . . . 20 Leu CB . 15949 1 88 . 1 1 20 20 LEU CD1 C 13 25.69 0 . . . . . . 20 Leu CD1 . 15949 1 89 . 1 1 20 20 LEU CD2 C 13 22.087 0 . . . . . . 20 Leu CD2 . 15949 1 90 . 1 1 20 20 LEU CG C 13 26.722 0 . . . . . . 20 Leu CG . 15949 1 91 . 1 1 20 20 LEU N N 15 123.735 0.094 . . . . . . 20 Leu N . 15949 1 92 . 1 1 21 21 ILE H H 1 9.17 0.003 . . . . . . 21 Ile H . 15949 1 93 . 1 1 21 21 ILE C C 13 177.871 0 . . . . . . 21 Ile CO . 15949 1 94 . 1 1 21 21 ILE CA C 13 60.132 0.585 . . . . . . 21 Ile CA . 15949 1 95 . 1 1 21 21 ILE CB C 13 38.141 0 . . . . . . 21 Ile CB . 15949 1 96 . 1 1 21 21 ILE CD1 C 13 13.409 0 . . . . . . 21 Ile CD . 15949 1 97 . 1 1 21 21 ILE CG1 C 13 29.788 0 . . . . . . 21 Ile CG1 . 15949 1 98 . 1 1 21 21 ILE CG2 C 13 17.499 0 . . . . . . 21 Ile CG2 . 15949 1 99 . 1 1 21 21 ILE N N 15 126.672 0.055 . . . . . . 21 Ile N . 15949 1 100 . 1 1 22 22 THR H H 1 7.812 0.01 . . . . . . 22 Thr H . 15949 1 101 . 1 1 22 22 THR C C 13 185.208 0 . . . . . . 22 Thr CO . 15949 1 102 . 1 1 22 22 THR CA C 13 59.049 0.032 . . . . . . 22 Thr CA . 15949 1 103 . 1 1 22 22 THR CB C 13 70.448 0.022 . . . . . . 22 Thr CB . 15949 1 104 . 1 1 22 22 THR CG2 C 13 20.063 0 . . . . . . 22 Thr CG . 15949 1 105 . 1 1 22 22 THR N N 15 120.259 0.076 . . . . . . 22 Thr N . 15949 1 106 . 1 1 23 23 HIS H H 1 8.24 0.004 . . . . . . 23 His H . 15949 1 107 . 1 1 23 23 HIS C C 13 184.204 0 . . . . . . 23 His CO . 15949 1 108 . 1 1 23 23 HIS CA C 13 54.727 0.03 . . . . . . 23 His CA . 15949 1 109 . 1 1 23 23 HIS CB C 13 31.805 0.114 . . . . . . 23 His CB . 15949 1 110 . 1 1 23 23 HIS N N 15 118.884 0.07 . . . . . . 23 His N . 15949 1 111 . 1 1 24 24 ASN H H 1 8.001 0.008 . . . . . . 24 Asn H . 15949 1 112 . 1 1 24 24 ASN CA C 13 50.373 0 . . . . . . 24 Asn CA . 15949 1 113 . 1 1 24 24 ASN CB C 13 39.604 0 . . . . . . 24 Asn CB . 15949 1 114 . 1 1 24 24 ASN N N 15 118.053 0.078 . . . . . . 24 Asn N . 15949 1 115 . 1 1 25 25 PRO C C 13 183.517 0 . . . . . . 25 Pro CO . 15949 1 116 . 1 1 25 25 PRO CA C 13 61.881 0.033 . . . . . . 25 Pro CA . 15949 1 117 . 1 1 25 25 PRO CB C 13 31.966 0.047 . . . . . . 25 Pro CB . 15949 1 118 . 1 1 25 25 PRO CG C 13 23.808 0 . . . . . . 25 Pro CG . 15949 1 119 . 1 1 26 26 THR H H 1 6.852 0.001 . . . . . . 26 Thr H . 15949 1 120 . 1 1 26 26 THR CA C 13 59.044 0 . . . . . . 26 Thr CA . 15949 1 121 . 1 1 26 26 THR CB C 13 72.254 0 . . . . . . 26 Thr CB . 15949 1 122 . 1 1 26 26 THR N N 15 104.926 0.093 . . . . . . 26 Thr N . 15949 1 123 . 1 1 27 27 ASN C C 13 184.274 0 . . . . . . 27 Asn CO . 15949 1 124 . 1 1 27 27 ASN CA C 13 53.806 0 . . . . . . 27 Asn CA . 15949 1 125 . 1 1 27 27 ASN CB C 13 42.423 0.042 . . . . . . 27 Asn CB . 15949 1 126 . 1 1 28 28 ALA H H 1 8.279 0.009 . . . . . . 28 Ala H . 15949 1 127 . 1 1 28 28 ALA C C 13 178.053 0 . . . . . . 28 Ala CO . 15949 1 128 . 1 1 28 28 ALA CA C 13 53.883 0.53 . . . . . . 28 Ala CA . 15949 1 129 . 1 1 28 28 ALA CB C 13 19.028 0.066 . . . . . . 28 Ala CB . 15949 1 130 . 1 1 28 28 ALA N N 15 126.144 0.148 . . . . . . 28 Ala N . 15949 1 131 . 1 1 29 29 THR H H 1 7.436 0.001 . . . . . . 29 Thr H . 15949 1 132 . 1 1 29 29 THR C C 13 181.668 0 . . . . . . 29 Thr CO . 15949 1 133 . 1 1 29 29 THR CA C 13 60.568 0.068 . . . . . . 29 Thr CA . 15949 1 134 . 1 1 29 29 THR CB C 13 69.122 0.004 . . . . . . 29 Thr CB . 15949 1 135 . 1 1 29 29 THR CG2 C 13 21.811 0 . . . . . . 29 Thr CG . 15949 1 136 . 1 1 29 29 THR N N 15 106.476 0.064 . . . . . . 29 Thr N . 15949 1 137 . 1 1 30 30 LEU H H 1 7.297 0.002 . . . . . . 30 Leu H . 15949 1 138 . 1 1 30 30 LEU C C 13 179.235 0 . . . . . . 30 Leu CO . 15949 1 139 . 1 1 30 30 LEU CA C 13 57.84 0.004 . . . . . . 30 Leu CA . 15949 1 140 . 1 1 30 30 LEU CB C 13 42.79 0.032 . . . . . . 30 Leu CB . 15949 1 141 . 1 1 30 30 LEU CG C 13 25.876 0 . . . . . . 30 Leu CG . 15949 1 142 . 1 1 30 30 LEU N N 15 124.461 0.058 . . . . . . 30 Leu N . 15949 1 143 . 1 1 31 31 ASN H H 1 8.652 0.001 . . . . . . 31 Asn H . 15949 1 144 . 1 1 31 31 ASN C C 13 179.131 0 . . . . . . 31 Asn CO . 15949 1 145 . 1 1 31 31 ASN CA C 13 57.353 0.023 . . . . . . 31 Asn CA . 15949 1 146 . 1 1 31 31 ASN CB C 13 36.907 0.036 . . . . . . 31 Asn CB . 15949 1 147 . 1 1 31 31 ASN N N 15 116.355 0.07 . . . . . . 31 Asn N . 15949 1 148 . 1 1 32 32 LYS H H 1 7.725 0.002 . . . . . . 32 Lys H . 15949 1 149 . 1 1 32 32 LYS C C 13 178.789 0 . . . . . . 32 Lys CO . 15949 1 150 . 1 1 32 32 LYS CA C 13 58.136 0.041 . . . . . . 32 Lys CA . 15949 1 151 . 1 1 32 32 LYS CB C 13 31.765 0.054 . . . . . . 32 Lys CB . 15949 1 152 . 1 1 32 32 LYS CD C 13 28.484 0 . . . . . . 32 Lys CD . 15949 1 153 . 1 1 32 32 LYS CE C 13 42.065 0 . . . . . . 32 Lys CE . 15949 1 154 . 1 1 32 32 LYS CG C 13 24.597 0 . . . . . . 32 Lys CG . 15949 1 155 . 1 1 32 32 LYS N N 15 120.851 0.063 . . . . . . 32 Lys N . 15949 1 156 . 1 1 33 33 PHE H H 1 7.879 0.002 . . . . . . 33 Phe H . 15949 1 157 . 1 1 33 33 PHE C C 13 180.387 0 . . . . . . 33 Phe CO . 15949 1 158 . 1 1 33 33 PHE CA C 13 60.893 0.047 . . . . . . 33 Phe CA . 15949 1 159 . 1 1 33 33 PHE CB C 13 39.684 0.06 . . . . . . 33 Phe CB . 15949 1 160 . 1 1 33 33 PHE N N 15 122.455 0.068 . . . . . . 33 Phe N . 15949 1 161 . 1 1 34 34 ILE H H 1 8.665 0.002 . . . . . . 34 Ile H . 15949 1 162 . 1 1 34 34 ILE C C 13 179.979 0 . . . . . . 34 Ile CO . 15949 1 163 . 1 1 34 34 ILE CA C 13 65.788 0.096 . . . . . . 34 Ile CA . 15949 1 164 . 1 1 34 34 ILE CB C 13 37.935 0.036 . . . . . . 34 Ile CB . 15949 1 165 . 1 1 34 34 ILE CD1 C 13 14.136 0 . . . . . . 34 Ile CD . 15949 1 166 . 1 1 34 34 ILE CG1 C 13 30.316 0 . . . . . . 34 Ile CG1 . 15949 1 167 . 1 1 34 34 ILE CG2 C 13 17.31 0 . . . . . . 34 Ile CG2 . 15949 1 168 . 1 1 34 34 ILE N N 15 118.678 0.066 . . . . . . 34 Ile N . 15949 1 169 . 1 1 35 35 GLU H H 1 7.639 0.02 . . . . . . 35 Glu H . 15949 1 170 . 1 1 35 35 GLU CA C 13 59.787 0 . . . . . . 35 Glu CA . 15949 1 171 . 1 1 35 35 GLU CB C 13 29.583 0 . . . . . . 35 Glu CB . 15949 1 172 . 1 1 35 35 GLU N N 15 118.542 0.077 . . . . . . 35 Glu N . 15949 1 173 . 1 1 36 36 GLU C C 13 179.198 0 . . . . . . 36 Glu CO . 15949 1 174 . 1 1 36 36 GLU CA C 13 59.661 0.055 . . . . . . 36 Glu CA . 15949 1 175 . 1 1 36 36 GLU CB C 13 37.831 0 . . . . . . 36 Glu CB . 15949 1 176 . 1 1 36 36 GLU CG C 13 36.868 0 . . . . . . 36 Glu CG . 15949 1 177 . 1 1 37 37 LEU H H 1 7.937 0.002 . . . . . . 37 Leu H . 15949 1 178 . 1 1 37 37 LEU C C 13 176.88 0 . . . . . . 37 Leu CO . 15949 1 179 . 1 1 37 37 LEU CA C 13 58.289 0.05 . . . . . . 37 Leu CA . 15949 1 180 . 1 1 37 37 LEU CB C 13 40.442 0.044 . . . . . . 37 Leu CB . 15949 1 181 . 1 1 37 37 LEU CG C 13 25.79 0 . . . . . . 37 Leu CG . 15949 1 182 . 1 1 37 37 LEU N N 15 117.574 0.067 . . . . . . 37 Leu N . 15949 1 183 . 1 1 38 38 LYS H H 1 8.351 0.01 . . . . . . 38 Lys H . 15949 1 184 . 1 1 38 38 LYS C C 13 176.336 0 . . . . . . 38 Lys CO . 15949 1 185 . 1 1 38 38 LYS CA C 13 59.77 0.033 . . . . . . 38 Lys CA . 15949 1 186 . 1 1 38 38 LYS CB C 13 32.107 0.037 . . . . . . 38 Lys CB . 15949 1 187 . 1 1 38 38 LYS CD C 13 29.702 0 . . . . . . 38 Lys CD . 15949 1 188 . 1 1 38 38 LYS CE C 13 42.299 0 . . . . . . 38 Lys CE . 15949 1 189 . 1 1 38 38 LYS CG C 13 25.906 0 . . . . . . 38 Lys CG . 15949 1 190 . 1 1 38 38 LYS N N 15 117.928 0.068 . . . . . . 38 Lys N . 15949 1 191 . 1 1 39 39 LYS H H 1 7.795 0.003 . . . . . . 39 Lys H . 15949 1 192 . 1 1 39 39 LYS C C 13 179.17 0 . . . . . . 39 Lys CO . 15949 1 193 . 1 1 39 39 LYS CA C 13 59.269 0.207 . . . . . . 39 Lys CA . 15949 1 194 . 1 1 39 39 LYS CB C 13 31.738 0.078 . . . . . . 39 Lys CB . 15949 1 195 . 1 1 39 39 LYS CD C 13 29.369 0 . . . . . . 39 Lys CD . 15949 1 196 . 1 1 39 39 LYS CG C 13 24.595 0 . . . . . . 39 Lys CG . 15949 1 197 . 1 1 39 39 LYS N N 15 121.942 0.066 . . . . . . 39 Lys N . 15949 1 198 . 1 1 40 40 TYR H H 1 7.348 0.002 . . . . . . 40 Tyr H . 15949 1 199 . 1 1 40 40 TYR C C 13 181.309 0 . . . . . . 40 Tyr CO . 15949 1 200 . 1 1 40 40 TYR CA C 13 59.993 0.892 . . . . . . 40 Tyr CA . 15949 1 201 . 1 1 40 40 TYR CB C 13 40.296 0.052 . . . . . . 40 Tyr CB . 15949 1 202 . 1 1 40 40 TYR N N 15 114.697 0.082 . . . . . . 40 Tyr N . 15949 1 203 . 1 1 41 41 GLY H H 1 7.899 0.001 . . . . . . 41 Gly H . 15949 1 204 . 1 1 41 41 GLY C C 13 181.543 0 . . . . . . 41 Gly CO . 15949 1 205 . 1 1 41 41 GLY CA C 13 46.866 0.037 . . . . . . 41 Gly CA . 15949 1 206 . 1 1 41 41 GLY N N 15 108.98 0.068 . . . . . . 41 Gly N . 15949 1 207 . 1 1 42 42 VAL H H 1 7.681 0.002 . . . . . . 42 Val H . 15949 1 208 . 1 1 42 42 VAL C C 13 180.63 0 . . . . . . 42 Val CO . 15949 1 209 . 1 1 42 42 VAL CA C 13 62.254 0.019 . . . . . . 42 Val CA . 15949 1 210 . 1 1 42 42 VAL CB C 13 32.332 0.092 . . . . . . 42 Val CB . 15949 1 211 . 1 1 42 42 VAL CG1 C 13 23.243 0 . . . . . . 42 Val CG# . 15949 1 212 . 1 1 42 42 VAL CG2 C 13 23.243 0 . . . . . . 42 Val CG# . 15949 1 213 . 1 1 42 42 VAL N N 15 120.417 0.063 . . . . . . 42 Val N . 15949 1 214 . 1 1 43 43 THR H H 1 7.938 0.003 . . . . . . 43 Thr H . 15949 1 215 . 1 1 43 43 THR C C 13 182.353 0 . . . . . . 43 Thr CO . 15949 1 216 . 1 1 43 43 THR CA C 13 61.052 0.159 . . . . . . 43 Thr CA . 15949 1 217 . 1 1 43 43 THR CB C 13 69.967 0.056 . . . . . . 43 Thr CB . 15949 1 218 . 1 1 43 43 THR CG2 C 13 22.356 0 . . . . . . 43 Thr CG . 15949 1 219 . 1 1 43 43 THR N N 15 112.98 0.067 . . . . . . 43 Thr N . 15949 1 220 . 1 1 44 44 THR H H 1 7.451 0.002 . . . . . . 44 Thr H . 15949 1 221 . 1 1 44 44 THR C C 13 185.918 0 . . . . . . 44 Thr CO . 15949 1 222 . 1 1 44 44 THR CA C 13 62.392 0.007 . . . . . . 44 Thr CA . 15949 1 223 . 1 1 44 44 THR CB C 13 73.615 0.032 . . . . . . 44 Thr CB . 15949 1 224 . 1 1 44 44 THR CG2 C 13 22.086 0 . . . . . . 44 Thr CG . 15949 1 225 . 1 1 44 44 THR N N 15 120.514 0.06 . . . . . . 44 Thr N . 15949 1 226 . 1 1 45 45 ILE H H 1 9.294 0.004 . . . . . . 45 Ile H . 15949 1 227 . 1 1 45 45 ILE C C 13 184.752 0 . . . . . . 45 Ile CO . 15949 1 228 . 1 1 45 45 ILE CA C 13 58.484 0.066 . . . . . . 45 Ile CA . 15949 1 229 . 1 1 45 45 ILE CB C 13 42.343 0.014 . . . . . . 45 Ile CB . 15949 1 230 . 1 1 45 45 ILE CD1 C 13 15.824 0 . . . . . . 45 Ile CD . 15949 1 231 . 1 1 45 45 ILE CG1 C 13 27.974 0 . . . . . . 45 Ile CG1 . 15949 1 232 . 1 1 45 45 ILE CG2 C 13 17.427 0 . . . . . . 45 Ile CG2 . 15949 1 233 . 1 1 45 45 ILE N N 15 125.942 0.061 . . . . . . 45 Ile N . 15949 1 234 . 1 1 46 46 VAL H H 1 9.04 0.007 . . . . . . 46 Val H . 15949 1 235 . 1 1 46 46 VAL C C 13 183.549 0 . . . . . . 46 Val CO . 15949 1 236 . 1 1 46 46 VAL CA C 13 61.217 0.03 . . . . . . 46 Val CA . 15949 1 237 . 1 1 46 46 VAL CB C 13 32.63 0.06 . . . . . . 46 Val CB . 15949 1 238 . 1 1 46 46 VAL CG1 C 13 21.676 0 . . . . . . 46 Val CG# . 15949 1 239 . 1 1 46 46 VAL CG2 C 13 21.676 0 . . . . . . 46 Val CG# . 15949 1 240 . 1 1 46 46 VAL N N 15 127.661 0.072 . . . . . . 46 Val N . 15949 1 241 . 1 1 47 47 ARG H H 1 8.923 0.002 . . . . . . 47 Arg H . 15949 1 242 . 1 1 47 47 ARG C C 13 181.507 0 . . . . . . 47 Arg CO . 15949 1 243 . 1 1 47 47 ARG CA C 13 55.614 0.022 . . . . . . 47 Arg CA . 15949 1 244 . 1 1 47 47 ARG CB C 13 31.584 0.143 . . . . . . 47 Arg CB . 15949 1 245 . 1 1 47 47 ARG CD C 13 44.493 0 . . . . . . 47 Arg CD . 15949 1 246 . 1 1 47 47 ARG CG C 13 26.087 0 . . . . . . 47 Arg CG . 15949 1 247 . 1 1 47 47 ARG N N 15 129.198 0.066 . . . . . . 47 Arg N . 15949 1 248 . 1 1 48 48 VAL H H 1 7.475 0.009 . . . . . . 48 Val H . 15949 1 249 . 1 1 48 48 VAL C C 13 183.839 0 . . . . . . 48 Val CO . 15949 1 250 . 1 1 48 48 VAL CA C 13 59.874 0.808 . . . . . . 48 Val CA . 15949 1 251 . 1 1 48 48 VAL CB C 13 29.649 0.008 . . . . . . 48 Val CB . 15949 1 252 . 1 1 48 48 VAL CG1 C 13 22.312 0 . . . . . . 48 Val CG1 . 15949 1 253 . 1 1 48 48 VAL CG2 C 13 19.852 0 . . . . . . 48 Val CG2 . 15949 1 254 . 1 1 48 48 VAL N N 15 116.092 0.065 . . . . . . 48 Val N . 15949 1 255 . 1 1 49 49 CYS H H 1 6.94 0.008 . . . . . . 49 Cys H . 15949 1 256 . 1 1 49 49 CYS C C 13 185.353 0 . . . . . . 49 Cys CO . 15949 1 257 . 1 1 49 49 CYS CA C 13 53.975 0.053 . . . . . . 49 Cys CA . 15949 1 258 . 1 1 49 49 CYS CB C 13 34.005 0.039 . . . . . . 49 Cys CB . 15949 1 259 . 1 1 49 49 CYS N N 15 112.128 0.076 . . . . . . 49 Cys N . 15949 1 260 . 1 1 50 50 GLU H H 1 8.938 0.002 . . . . . . 50 Glu H . 15949 1 261 . 1 1 50 50 GLU C C 13 181.342 0 . . . . . . 50 Glu CO . 15949 1 262 . 1 1 50 50 GLU CA C 13 56.84 0.022 . . . . . . 50 Glu CA . 15949 1 263 . 1 1 50 50 GLU CB C 13 29.31 0.115 . . . . . . 50 Glu CB . 15949 1 264 . 1 1 50 50 GLU CG C 13 35.786 0 . . . . . . 50 Glu CG . 15949 1 265 . 1 1 50 50 GLU N N 15 119.237 0.066 . . . . . . 50 Glu N . 15949 1 266 . 1 1 51 51 ALA H H 1 8.274 0.005 . . . . . . 51 Ala H . 15949 1 267 . 1 1 51 51 ALA CA C 13 50.47 0 . . . . . . 51 Ala CA . 15949 1 268 . 1 1 51 51 ALA CB C 13 18.006 0 . . . . . . 51 Ala CB . 15949 1 269 . 1 1 51 51 ALA N N 15 126.141 0.085 . . . . . . 51 Ala N . 15949 1 270 . 1 1 52 52 THR C C 13 183.665 0 . . . . . . 52 Thr CO . 15949 1 271 . 1 1 52 52 THR CA C 13 61.414 0.139 . . . . . . 52 Thr CA . 15949 1 272 . 1 1 52 52 THR CB C 13 69.455 0.044 . . . . . . 52 Thr CB . 15949 1 273 . 1 1 52 52 THR CG2 C 13 21.105 0 . . . . . . 52 Thr CG . 15949 1 274 . 1 1 53 53 TYR H H 1 6.886 0.017 . . . . . . 53 Tyr H . 15949 1 275 . 1 1 53 53 TYR C C 13 183.282 0 . . . . . . 53 Tyr CO . 15949 1 276 . 1 1 53 53 TYR CA C 13 55.472 0.025 . . . . . . 53 Tyr CA . 15949 1 277 . 1 1 53 53 TYR CB C 13 39.478 0.059 . . . . . . 53 Tyr CB . 15949 1 278 . 1 1 53 53 TYR N N 15 116.153 0.077 . . . . . . 53 Tyr N . 15949 1 279 . 1 1 54 54 ASP H H 1 9.112 0.002 . . . . . . 54 Asp H . 15949 1 280 . 1 1 54 54 ASP C C 13 180.156 0 . . . . . . 54 Asp CO . 15949 1 281 . 1 1 54 54 ASP CA C 13 53.926 0.058 . . . . . . 54 Asp CA . 15949 1 282 . 1 1 54 54 ASP CB C 13 41.503 0.03 . . . . . . 54 Asp CB . 15949 1 283 . 1 1 54 54 ASP N N 15 123.043 0.065 . . . . . . 54 Asp N . 15949 1 284 . 1 1 55 55 THR H H 1 8.4 0.002 . . . . . . 55 Thr H . 15949 1 285 . 1 1 55 55 THR C C 13 180.717 0 . . . . . . 55 Thr CO . 15949 1 286 . 1 1 55 55 THR CA C 13 64.097 0.024 . . . . . . 55 Thr CA . 15949 1 287 . 1 1 55 55 THR CB C 13 68.809 0.06 . . . . . . 55 Thr CB . 15949 1 288 . 1 1 55 55 THR CG2 C 13 23.187 0 . . . . . . 55 Thr CG . 15949 1 289 . 1 1 55 55 THR N N 15 116.41 0.079 . . . . . . 55 Thr N . 15949 1 290 . 1 1 56 56 THR H H 1 8.544 0.002 . . . . . . 56 Thr H . 15949 1 291 . 1 1 56 56 THR C C 13 180.185 0 . . . . . . 56 Thr CO . 15949 1 292 . 1 1 56 56 THR CA C 13 67.009 0.022 . . . . . . 56 Thr CA . 15949 1 293 . 1 1 56 56 THR CB C 13 68.493 0.109 . . . . . . 56 Thr CB . 15949 1 294 . 1 1 56 56 THR CG2 C 13 21.594 0 . . . . . . 56 Thr CG . 15949 1 295 . 1 1 56 56 THR N N 15 119.408 0.067 . . . . . . 56 Thr N . 15949 1 296 . 1 1 57 57 LEU H H 1 8.363 0.006 . . . . . . 57 Leu H . 15949 1 297 . 1 1 57 57 LEU C C 13 179.127 0 . . . . . . 57 Leu CO . 15949 1 298 . 1 1 57 57 LEU CA C 13 57.677 0.039 . . . . . . 57 Leu CA . 15949 1 299 . 1 1 57 57 LEU CB C 13 41.959 0.032 . . . . . . 57 Leu CB . 15949 1 300 . 1 1 57 57 LEU CD1 C 13 24.909 0 . . . . . . 57 Leu CD1 . 15949 1 301 . 1 1 57 57 LEU CD2 C 13 23.018 0 . . . . . . 57 Leu CD2 . 15949 1 302 . 1 1 57 57 LEU CG C 13 27.112 0 . . . . . . 57 Leu CG . 15949 1 303 . 1 1 57 57 LEU N N 15 120.293 0.067 . . . . . . 57 Leu N . 15949 1 304 . 1 1 58 58 VAL H H 1 7.019 0.001 . . . . . . 58 Val H . 15949 1 305 . 1 1 58 58 VAL CA C 13 65.804 0 . . . . . . 58 Val CA . 15949 1 306 . 1 1 58 58 VAL CB C 13 32.264 0 . . . . . . 58 Val CB . 15949 1 307 . 1 1 58 58 VAL N N 15 117.397 0.064 . . . . . . 58 Val N . 15949 1 308 . 1 1 59 59 GLU C C 13 175.31 0 . . . . . . 59 Glu CO . 15949 1 309 . 1 1 59 59 GLU CA C 13 58.719 0.059 . . . . . . 59 Glu CA . 15949 1 310 . 1 1 59 59 GLU CB C 13 29.172 0.054 . . . . . . 59 Glu CB . 15949 1 311 . 1 1 59 59 GLU CG C 13 35.939 0 . . . . . . 59 Glu CG . 15949 1 312 . 1 1 60 60 LYS H H 1 7.948 0.001 . . . . . . 60 Lys H . 15949 1 313 . 1 1 60 60 LYS C C 13 179.38 0 . . . . . . 60 Lys CO . 15949 1 314 . 1 1 60 60 LYS CA C 13 58.788 0.155 . . . . . . 60 Lys CA . 15949 1 315 . 1 1 60 60 LYS CB C 13 32.252 0.046 . . . . . . 60 Lys CB . 15949 1 316 . 1 1 60 60 LYS CD C 13 29.461 0 . . . . . . 60 Lys CD . 15949 1 317 . 1 1 60 60 LYS CE C 13 42.245 0 . . . . . . 60 Lys CE . 15949 1 318 . 1 1 60 60 LYS CG C 13 24.877 0 . . . . . . 60 Lys CG . 15949 1 319 . 1 1 60 60 LYS N N 15 119.819 0.074 . . . . . . 60 Lys N . 15949 1 320 . 1 1 61 61 GLU H H 1 7.347 0.002 . . . . . . 61 Glu H . 15949 1 321 . 1 1 61 61 GLU C C 13 181.028 0 . . . . . . 61 Glu CO . 15949 1 322 . 1 1 61 61 GLU CA C 13 55.351 0.046 . . . . . . 61 Glu CA . 15949 1 323 . 1 1 61 61 GLU CB C 13 28.797 0.062 . . . . . . 61 Glu CB . 15949 1 324 . 1 1 61 61 GLU CG C 13 35.334 0 . . . . . . 61 Glu CG . 15949 1 325 . 1 1 61 61 GLU N N 15 116.509 0.065 . . . . . . 61 Glu N . 15949 1 326 . 1 1 62 62 GLY H H 1 7.897 0.003 . . . . . . 62 Gly H . 15949 1 327 . 1 1 62 62 GLY C C 13 183.698 0 . . . . . . 62 Gly CO . 15949 1 328 . 1 1 62 62 GLY CA C 13 45.461 0.059 . . . . . . 62 Gly CA . 15949 1 329 . 1 1 62 62 GLY N N 15 106.371 0.073 . . . . . . 62 Gly N . 15949 1 330 . 1 1 63 63 ILE H H 1 6.986 0.002 . . . . . . 63 Ile H . 15949 1 331 . 1 1 63 63 ILE C C 13 182.306 0 . . . . . . 63 Ile CO . 15949 1 332 . 1 1 63 63 ILE CA C 13 60.222 0.016 . . . . . . 63 Ile CA . 15949 1 333 . 1 1 63 63 ILE CB C 13 39.015 0.049 . . . . . . 63 Ile CB . 15949 1 334 . 1 1 63 63 ILE CD1 C 13 14.277 0 . . . . . . 63 Ile CD . 15949 1 335 . 1 1 63 63 ILE CG1 C 13 27.209 0 . . . . . . 63 Ile CG1 . 15949 1 336 . 1 1 63 63 ILE CG2 C 13 17.699 0 . . . . . . 63 Ile CG2 . 15949 1 337 . 1 1 63 63 ILE N N 15 121.404 0.055 . . . . . . 63 Ile N . 15949 1 338 . 1 1 64 64 HIS H H 1 7.599 0.003 . . . . . . 64 His H . 15949 1 339 . 1 1 64 64 HIS C C 13 182.998 0 . . . . . . 64 His CO . 15949 1 340 . 1 1 64 64 HIS CA C 13 54.564 0.028 . . . . . . 64 His CA . 15949 1 341 . 1 1 64 64 HIS CB C 13 30.488 0.053 . . . . . . 64 His CB . 15949 1 342 . 1 1 64 64 HIS N N 15 123.941 0.059 . . . . . . 64 His N . 15949 1 343 . 1 1 65 65 VAL H H 1 8.567 0.002 . . . . . . 65 Val H . 15949 1 344 . 1 1 65 65 VAL C C 13 182.174 0 . . . . . . 65 Val CO . 15949 1 345 . 1 1 65 65 VAL CA C 13 61.328 0.056 . . . . . . 65 Val CA . 15949 1 346 . 1 1 65 65 VAL CB C 13 32.904 0.047 . . . . . . 65 Val CB . 15949 1 347 . 1 1 65 65 VAL CG1 C 13 21.148 0 . . . . . . 65 Val CG# . 15949 1 348 . 1 1 65 65 VAL CG2 C 13 21.148 0 . . . . . . 65 Val CG# . 15949 1 349 . 1 1 65 65 VAL N N 15 125.632 0.06 . . . . . . 65 Val N . 15949 1 350 . 1 1 66 66 LEU H H 1 8.836 0.003 . . . . . . 66 Leu H . 15949 1 351 . 1 1 66 66 LEU C C 13 183.521 0 . . . . . . 66 Leu CO . 15949 1 352 . 1 1 66 66 LEU CA C 13 52.814 0.05 . . . . . . 66 Leu CA . 15949 1 353 . 1 1 66 66 LEU CB C 13 42.107 0.084 . . . . . . 66 Leu CB . 15949 1 354 . 1 1 66 66 LEU CD1 C 13 23.913 0 . . . . . . 66 Leu CD1 . 15949 1 355 . 1 1 66 66 LEU CD2 C 13 21.692 0 . . . . . . 66 Leu CD2 . 15949 1 356 . 1 1 66 66 LEU CG C 13 25.919 0 . . . . . . 66 Leu CG . 15949 1 357 . 1 1 66 66 LEU N N 15 130.716 0.058 . . . . . . 66 Leu N . 15949 1 358 . 1 1 67 67 ASP H H 1 8.189 0.004 . . . . . . 67 Asp H . 15949 1 359 . 1 1 67 67 ASP C C 13 182.805 0 . . . . . . 67 Asp CO . 15949 1 360 . 1 1 67 67 ASP CA C 13 53.194 0.023 . . . . . . 67 Asp CA . 15949 1 361 . 1 1 67 67 ASP CB C 13 39.167 0.148 . . . . . . 67 Asp CB . 15949 1 362 . 1 1 67 67 ASP N N 15 123.842 0.054 . . . . . . 67 Asp N . 15949 1 363 . 1 1 68 68 TRP H H 1 8.287 0.004 . . . . . . 68 Trp H . 15949 1 364 . 1 1 68 68 TRP CA C 13 53.978 0 . . . . . . 68 Trp CA . 15949 1 365 . 1 1 68 68 TRP CB C 13 30.052 0 . . . . . . 68 Trp CB . 15949 1 366 . 1 1 68 68 TRP N N 15 122.874 0.101 . . . . . . 68 Trp N . 15949 1 367 . 1 1 69 69 PRO C C 13 179.583 0 . . . . . . 69 Pro CO . 15949 1 368 . 1 1 69 69 PRO CA C 13 63.081 0.041 . . . . . . 69 Pro CA . 15949 1 369 . 1 1 69 69 PRO CB C 13 31.321 0.092 . . . . . . 69 Pro CB . 15949 1 370 . 1 1 69 69 PRO CG C 13 27.625 0 . . . . . . 69 Pro CG . 15949 1 371 . 1 1 70 70 PHE H H 1 7.284 0.002 . . . . . . 70 Phe H . 15949 1 372 . 1 1 70 70 PHE C C 13 183.278 0 . . . . . . 70 Phe CO . 15949 1 373 . 1 1 70 70 PHE CA C 13 55.76 0.05 . . . . . . 70 Phe CA . 15949 1 374 . 1 1 70 70 PHE CB C 13 38.977 0.031 . . . . . . 70 Phe CB . 15949 1 375 . 1 1 70 70 PHE N N 15 113.866 0.075 . . . . . . 70 Phe N . 15949 1 376 . 1 1 71 71 ASP H H 1 8.282 0.001 . . . . . . 71 Asp H . 15949 1 377 . 1 1 71 71 ASP C C 13 181.752 0 . . . . . . 71 Asp CO . 15949 1 378 . 1 1 71 71 ASP CA C 13 55.683 0.034 . . . . . . 71 Asp CA . 15949 1 379 . 1 1 71 71 ASP CB C 13 41.075 0.03 . . . . . . 71 Asp CB . 15949 1 380 . 1 1 71 71 ASP N N 15 120.099 0.06 . . . . . . 71 Asp N . 15949 1 381 . 1 1 72 72 ASP H H 1 8.402 0.003 . . . . . . 72 Asp H . 15949 1 382 . 1 1 72 72 ASP C C 13 181.657 0 . . . . . . 72 Asp CO . 15949 1 383 . 1 1 72 72 ASP CA C 13 55.771 0 . . . . . . 72 Asp CA . 15949 1 384 . 1 1 72 72 ASP CB C 13 40.821 0 . . . . . . 72 Asp CB . 15949 1 385 . 1 1 72 72 ASP N N 15 120.181 0.069 . . . . . . 72 Asp N . 15949 1 386 . 1 1 73 73 GLY H H 1 7.566 0.007 . . . . . . 73 Gly H . 15949 1 387 . 1 1 73 73 GLY C C 13 181.723 0 . . . . . . 73 Gly CO . 15949 1 388 . 1 1 73 73 GLY CA C 13 45.287 0.049 . . . . . . 73 Gly CA . 15949 1 389 . 1 1 73 73 GLY N N 15 111.236 0.084 . . . . . . 73 Gly N . 15949 1 390 . 1 1 74 74 ALA H H 1 7.888 0.004 . . . . . . 74 Ala H . 15949 1 391 . 1 1 74 74 ALA CA C 13 49.849 0 . . . . . . 74 Ala CA . 15949 1 392 . 1 1 74 74 ALA CB C 13 20.523 0 . . . . . . 74 Ala CB . 15949 1 393 . 1 1 74 74 ALA N N 15 123.385 0.093 . . . . . . 74 Ala N . 15949 1 394 . 1 1 76 76 PRO C C 13 181.456 0 . . . . . . 76 Pro CO . 15949 1 395 . 1 1 76 76 PRO CA C 13 55.939 0 . . . . . . 76 Pro CA . 15949 1 396 . 1 1 76 76 PRO CB C 13 30.926 0 . . . . . . 76 Pro CB . 15949 1 397 . 1 1 76 76 PRO CG C 13 24.552 0 . . . . . . 76 Pro CG . 15949 1 398 . 1 1 77 77 SER H H 1 8.335 0.007 . . . . . . 77 Ser H . 15949 1 399 . 1 1 77 77 SER C C 13 183.009 0 . . . . . . 77 Ser CO . 15949 1 400 . 1 1 77 77 SER CA C 13 56.501 0.045 . . . . . . 77 Ser CA . 15949 1 401 . 1 1 77 77 SER CB C 13 64.491 0.326 . . . . . . 77 Ser CB . 15949 1 402 . 1 1 77 77 SER N N 15 121.637 0.099 . . . . . . 77 Ser N . 15949 1 403 . 1 1 78 78 ASN H H 1 8.814 0.002 . . . . . . 78 Asn H . 15949 1 404 . 1 1 78 78 ASN C C 13 180.315 0 . . . . . . 78 Asn CO . 15949 1 405 . 1 1 78 78 ASN CA C 13 56.376 0.06 . . . . . . 78 Asn CA . 15949 1 406 . 1 1 78 78 ASN CB C 13 37.498 0.019 . . . . . . 78 Asn CB . 15949 1 407 . 1 1 78 78 ASN N N 15 119.274 0.07 . . . . . . 78 Asn N . 15949 1 408 . 1 1 79 79 GLN H H 1 8.094 0.002 . . . . . . 79 Gln H . 15949 1 409 . 1 1 79 79 GLN C C 13 180.336 0 . . . . . . 79 Gln CO . 15949 1 410 . 1 1 79 79 GLN CA C 13 58.809 0.099 . . . . . . 79 Gln CA . 15949 1 411 . 1 1 79 79 GLN CB C 13 28.438 0.084 . . . . . . 79 Gln CB . 15949 1 412 . 1 1 79 79 GLN CG C 13 33.278 0 . . . . . . 79 Gln CG . 15949 1 413 . 1 1 79 79 GLN N N 15 118.565 0.089 . . . . . . 79 Gln N . 15949 1 414 . 1 1 80 80 ILE H H 1 6.986 0.001 . . . . . . 80 Ile H . 15949 1 415 . 1 1 80 80 ILE C C 13 180.443 0 . . . . . . 80 Ile CO . 15949 1 416 . 1 1 80 80 ILE CA C 13 64.823 0.151 . . . . . . 80 Ile CA . 15949 1 417 . 1 1 80 80 ILE CB C 13 37.9 0.091 . . . . . . 80 Ile CB . 15949 1 418 . 1 1 80 80 ILE CD1 C 13 14.136 0 . . . . . . 80 Ile CD . 15949 1 419 . 1 1 80 80 ILE CG1 C 13 29.628 0 . . . . . . 80 Ile CG1 . 15949 1 420 . 1 1 80 80 ILE CG2 C 13 16.358 0 . . . . . . 80 Ile CG2 . 15949 1 421 . 1 1 80 80 ILE N N 15 118.948 0.076 . . . . . . 80 Ile N . 15949 1 422 . 1 1 81 81 VAL H H 1 7.654 0.003 . . . . . . 81 Val H . 15949 1 423 . 1 1 81 81 VAL C C 13 179.942 0 . . . . . . 81 Val CO . 15949 1 424 . 1 1 81 81 VAL CA C 13 68.844 0.059 . . . . . . 81 Val CA . 15949 1 425 . 1 1 81 81 VAL CB C 13 31.368 0.037 . . . . . . 81 Val CB . 15949 1 426 . 1 1 81 81 VAL CG1 C 13 23.76 0 . . . . . . 81 Val CG1 . 15949 1 427 . 1 1 81 81 VAL CG2 C 13 22.47 0 . . . . . . 81 Val CG2 . 15949 1 428 . 1 1 81 81 VAL N N 15 118.541 0.064 . . . . . . 81 Val N . 15949 1 429 . 1 1 82 82 ASP H H 1 8.039 0.001 . . . . . . 82 Asp H . 15949 1 430 . 1 1 82 82 ASP C C 13 177.694 0 . . . . . . 82 Asp CO . 15949 1 431 . 1 1 82 82 ASP CA C 13 57.942 0.097 . . . . . . 82 Asp CA . 15949 1 432 . 1 1 82 82 ASP CB C 13 40.381 0.087 . . . . . . 82 Asp CB . 15949 1 433 . 1 1 82 82 ASP N N 15 118.664 0.08 . . . . . . 82 Asp N . 15949 1 434 . 1 1 83 83 ASP H H 1 8.159 0.001 . . . . . . 83 Asp H . 15949 1 435 . 1 1 83 83 ASP C C 13 178.336 0 . . . . . . 83 Asp CO . 15949 1 436 . 1 1 83 83 ASP CA C 13 57.588 0.045 . . . . . . 83 Asp CA . 15949 1 437 . 1 1 83 83 ASP CB C 13 38.595 0.033 . . . . . . 83 Asp CB . 15949 1 438 . 1 1 83 83 ASP N N 15 122.242 0.066 . . . . . . 83 Asp N . 15949 1 439 . 1 1 84 84 TRP H H 1 8.994 0.01 . . . . . . 84 Trp H . 15949 1 440 . 1 1 84 84 TRP C C 13 180.878 0 . . . . . . 84 Trp CO . 15949 1 441 . 1 1 84 84 TRP CA C 13 59.548 0.046 . . . . . . 84 Trp CA . 15949 1 442 . 1 1 84 84 TRP CB C 13 30.337 0.08 . . . . . . 84 Trp CB . 15949 1 443 . 1 1 84 84 TRP N N 15 124.419 0.062 . . . . . . 84 Trp N . 15949 1 444 . 1 1 85 85 LEU H H 1 8.877 0.003 . . . . . . 85 Leu H . 15949 1 445 . 1 1 85 85 LEU C C 13 177.299 0 . . . . . . 85 Leu CO . 15949 1 446 . 1 1 85 85 LEU CA C 13 57.808 0.025 . . . . . . 85 Leu CA . 15949 1 447 . 1 1 85 85 LEU CB C 13 41.001 0.051 . . . . . . 85 Leu CB . 15949 1 448 . 1 1 85 85 LEU CD1 C 13 21.799 0 . . . . . . 85 Leu CD1 . 15949 1 449 . 1 1 85 85 LEU CD2 C 13 16.806 0 . . . . . . 85 Leu CD2 . 15949 1 450 . 1 1 85 85 LEU CG C 13 26.891 0 . . . . . . 85 Leu CG . 15949 1 451 . 1 1 85 85 LEU N N 15 117.434 0.057 . . . . . . 85 Leu N . 15949 1 452 . 1 1 86 86 SER H H 1 7.991 0.005 . . . . . . 86 Ser H . 15949 1 453 . 1 1 86 86 SER C C 13 184.286 0 . . . . . . 86 Ser CO . 15949 1 454 . 1 1 86 86 SER CA C 13 62.074 0 . . . . . . 86 Ser CA . 15949 1 455 . 1 1 86 86 SER CB C 13 63.003 0.082 . . . . . . 86 Ser CB . 15949 1 456 . 1 1 86 86 SER N N 15 114.569 0.073 . . . . . . 86 Ser N . 15949 1 457 . 1 1 87 87 LEU H H 1 7.893 0.004 . . . . . . 87 Leu H . 15949 1 458 . 1 1 87 87 LEU C C 13 179.352 0 . . . . . . 87 Leu CO . 15949 1 459 . 1 1 87 87 LEU CA C 13 58.309 0.056 . . . . . . 87 Leu CA . 15949 1 460 . 1 1 87 87 LEU CB C 13 42.201 0.048 . . . . . . 87 Leu CB . 15949 1 461 . 1 1 87 87 LEU CD1 C 13 23.996 0 . . . . . . 87 Leu CD . 15949 1 462 . 1 1 87 87 LEU CD2 C 13 23.996 0 . . . . . . 87 Leu CD . 15949 1 463 . 1 1 87 87 LEU CG C 13 26.909 0 . . . . . . 87 Leu CG . 15949 1 464 . 1 1 87 87 LEU N N 15 123.321 0.185 . . . . . . 87 Leu N . 15949 1 465 . 1 1 88 88 VAL H H 1 8.137 0.001 . . . . . . 88 Val H . 15949 1 466 . 1 1 88 88 VAL C C 13 180.426 0 . . . . . . 88 Val CO . 15949 1 467 . 1 1 88 88 VAL CA C 13 66.282 0.066 . . . . . . 88 Val CA . 15949 1 468 . 1 1 88 88 VAL CB C 13 31.642 0.22 . . . . . . 88 Val CB . 15949 1 469 . 1 1 88 88 VAL CG1 C 13 23.053 0 . . . . . . 88 Val CG1 . 15949 1 470 . 1 1 88 88 VAL CG2 C 13 21.872 0 . . . . . . 88 Val CG2 . 15949 1 471 . 1 1 88 88 VAL N N 15 117.111 0.06 . . . . . . 88 Val N . 15949 1 472 . 1 1 89 89 LYS H H 1 7.586 0.004 . . . . . . 89 Lys H . 15949 1 473 . 1 1 89 89 LYS C C 13 178.49 0 . . . . . . 89 Lys CO . 15949 1 474 . 1 1 89 89 LYS CA C 13 59.512 0.044 . . . . . . 89 Lys CA . 15949 1 475 . 1 1 89 89 LYS CB C 13 32.724 0.053 . . . . . . 89 Lys CB . 15949 1 476 . 1 1 89 89 LYS CD C 13 29.582 0 . . . . . . 89 Lys CD . 15949 1 477 . 1 1 89 89 LYS CE C 13 42.3 0 . . . . . . 89 Lys CE . 15949 1 478 . 1 1 89 89 LYS CG C 13 25.027 0 . . . . . . 89 Lys CG . 15949 1 479 . 1 1 89 89 LYS N N 15 117.15 0.059 . . . . . . 89 Lys N . 15949 1 480 . 1 1 90 90 ILE H H 1 7.741 0.002 . . . . . . 90 Ile H . 15949 1 481 . 1 1 90 90 ILE C C 13 178.482 0 . . . . . . 90 Ile CO . 15949 1 482 . 1 1 90 90 ILE CA C 13 64.025 0.036 . . . . . . 90 Ile CA . 15949 1 483 . 1 1 90 90 ILE CB C 13 38.692 0.011 . . . . . . 90 Ile CB . 15949 1 484 . 1 1 90 90 ILE CD1 C 13 13.064 0 . . . . . . 90 Ile CD . 15949 1 485 . 1 1 90 90 ILE CG1 C 13 29.256 0 . . . . . . 90 Ile CG1 . 15949 1 486 . 1 1 90 90 ILE CG2 C 13 17.225 0 . . . . . . 90 Ile CG2 . 15949 1 487 . 1 1 90 90 ILE N N 15 116.232 0.069 . . . . . . 90 Ile N . 15949 1 488 . 1 1 91 91 LYS H H 1 8.852 0.002 . . . . . . 91 Lys H . 15949 1 489 . 1 1 91 91 LYS C C 13 178.584 0 . . . . . . 91 Lys CO . 15949 1 490 . 1 1 91 91 LYS CA C 13 58.118 0.156 . . . . . . 91 Lys CA . 15949 1 491 . 1 1 91 91 LYS CB C 13 30.498 0.063 . . . . . . 91 Lys CB . 15949 1 492 . 1 1 91 91 LYS CD C 13 27.065 0 . . . . . . 91 Lys CD . 15949 1 493 . 1 1 91 91 LYS CE C 13 41.859 0 . . . . . . 91 Lys CE . 15949 1 494 . 1 1 91 91 LYS CG C 13 24.191 0 . . . . . . 91 Lys CG . 15949 1 495 . 1 1 91 91 LYS N N 15 120.149 0.068 . . . . . . 91 Lys N . 15949 1 496 . 1 1 92 92 PHE H H 1 7.074 0.004 . . . . . . 92 Phe H . 15949 1 497 . 1 1 92 92 PHE C C 13 180.445 0 . . . . . . 92 Phe CO . 15949 1 498 . 1 1 92 92 PHE CA C 13 59.351 0.023 . . . . . . 92 Phe CA . 15949 1 499 . 1 1 92 92 PHE CB C 13 37.191 0.054 . . . . . . 92 Phe CB . 15949 1 500 . 1 1 92 92 PHE N N 15 111.201 0.059 . . . . . . 92 Phe N . 15949 1 501 . 1 1 93 93 ARG H H 1 7.196 0.003 . . . . . . 93 Arg H . 15949 1 502 . 1 1 93 93 ARG C C 13 179.789 0 . . . . . . 93 Arg CO . 15949 1 503 . 1 1 93 93 ARG CA C 13 58.051 0.113 . . . . . . 93 Arg CA . 15949 1 504 . 1 1 93 93 ARG CB C 13 31.048 0.05 . . . . . . 93 Arg CB . 15949 1 505 . 1 1 93 93 ARG CD C 13 43.567 0 . . . . . . 93 Arg CD . 15949 1 506 . 1 1 93 93 ARG CG C 13 27.126 0 . . . . . . 93 Arg CG . 15949 1 507 . 1 1 93 93 ARG N N 15 118.156 0.073 . . . . . . 93 Arg N . 15949 1 508 . 1 1 94 94 GLU H H 1 8.414 0.007 . . . . . . 94 Glu H . 15949 1 509 . 1 1 94 94 GLU C C 13 180.063 0 . . . . . . 94 Glu CO . 15949 1 510 . 1 1 94 94 GLU CA C 13 58.273 0.067 . . . . . . 94 Glu CA . 15949 1 511 . 1 1 94 94 GLU CB C 13 30.625 0.023 . . . . . . 94 Glu CB . 15949 1 512 . 1 1 94 94 GLU CG C 13 36.938 0 . . . . . . 94 Glu CG . 15949 1 513 . 1 1 94 94 GLU N N 15 117.343 0.063 . . . . . . 94 Glu N . 15949 1 514 . 1 1 95 95 GLU H H 1 8.019 0.001 . . . . . . 95 Glu H . 15949 1 515 . 1 1 95 95 GLU CA C 13 53.292 0 . . . . . . 95 Glu CA . 15949 1 516 . 1 1 95 95 GLU CB C 13 29.975 0 . . . . . . 95 Glu CB . 15949 1 517 . 1 1 95 95 GLU N N 15 119.263 0.079 . . . . . . 95 Glu N . 15949 1 518 . 1 1 96 96 PRO C C 13 178.061 0 . . . . . . 96 Pro CO . 15949 1 519 . 1 1 96 96 PRO CA C 13 63.992 0.02 . . . . . . 96 Pro CA . 15949 1 520 . 1 1 96 96 PRO CB C 13 31.341 0.06 . . . . . . 96 Pro CB . 15949 1 521 . 1 1 96 96 PRO CD C 13 50.038 0 . . . . . . 96 Pro CD . 15949 1 522 . 1 1 96 96 PRO CG C 13 27.832 0 . . . . . . 96 Pro CG . 15949 1 523 . 1 1 97 97 GLY H H 1 8.993 0.003 . . . . . . 97 Gly H . 15949 1 524 . 1 1 97 97 GLY C C 13 181.639 0 . . . . . . 97 Gly CO . 15949 1 525 . 1 1 97 97 GLY CA C 13 45.485 0.057 . . . . . . 97 Gly CA . 15949 1 526 . 1 1 97 97 GLY N N 15 112.163 0.067 . . . . . . 97 Gly N . 15949 1 527 . 1 1 98 98 CYS H H 1 8.052 0.001 . . . . . . 98 Cys H . 15949 1 528 . 1 1 98 98 CYS C C 13 186.038 0 . . . . . . 98 Cys CO . 15949 1 529 . 1 1 98 98 CYS CA C 13 57.913 0.048 . . . . . . 98 Cys CA . 15949 1 530 . 1 1 98 98 CYS CB C 13 29.202 0.024 . . . . . . 98 Cys CB . 15949 1 531 . 1 1 98 98 CYS N N 15 117.431 0.06 . . . . . . 98 Cys N . 15949 1 532 . 1 1 99 99 CYS H H 1 7.215 0.002 . . . . . . 99 Cys H . 15949 1 533 . 1 1 99 99 CYS C C 13 183.592 0 . . . . . . 99 Cys CO . 15949 1 534 . 1 1 99 99 CYS CA C 13 55.854 0.033 . . . . . . 99 Cys CA . 15949 1 535 . 1 1 99 99 CYS CB C 13 29.505 0.058 . . . . . . 99 Cys CB . 15949 1 536 . 1 1 99 99 CYS N N 15 117.063 0.065 . . . . . . 99 Cys N . 15949 1 537 . 1 1 100 100 ILE H H 1 8.309 0.002 . . . . . . 100 Ile H . 15949 1 538 . 1 1 100 100 ILE C C 13 181.378 0 . . . . . . 100 Ile CO . 15949 1 539 . 1 1 100 100 ILE CA C 13 60.836 0.05 . . . . . . 100 Ile CA . 15949 1 540 . 1 1 100 100 ILE CB C 13 40.882 0.021 . . . . . . 100 Ile CB . 15949 1 541 . 1 1 100 100 ILE CD1 C 13 13.901 0 . . . . . . 100 Ile CD . 15949 1 542 . 1 1 100 100 ILE CG1 C 13 26.89 0 . . . . . . 100 Ile CG1 . 15949 1 543 . 1 1 100 100 ILE CG2 C 13 16.927 0 . . . . . . 100 Ile CG2 . 15949 1 544 . 1 1 100 100 ILE N N 15 128.06 0.063 . . . . . . 100 Ile N . 15949 1 545 . 1 1 101 101 ALA H H 1 8.817 0.005 . . . . . . 101 Ala H . 15949 1 546 . 1 1 101 101 ALA C C 13 181.68 0 . . . . . . 101 Ala CO . 15949 1 547 . 1 1 101 101 ALA CA C 13 49.861 0.029 . . . . . . 101 Ala CA . 15949 1 548 . 1 1 101 101 ALA CB C 13 22.173 0.043 . . . . . . 101 Ala CB . 15949 1 549 . 1 1 101 101 ALA N N 15 129.187 0.062 . . . . . . 101 Ala N . 15949 1 550 . 1 1 102 102 VAL H H 1 9.105 0.001 . . . . . . 102 Val H . 15949 1 551 . 1 1 102 102 VAL C C 13 182.676 0 . . . . . . 102 Val CO . 15949 1 552 . 1 1 102 102 VAL CA C 13 59.543 0.102 . . . . . . 102 Val CA . 15949 1 553 . 1 1 102 102 VAL CB C 13 34.983 0.009 . . . . . . 102 Val CB . 15949 1 554 . 1 1 102 102 VAL CG1 C 13 21.506 0 . . . . . . 102 Val CG# . 15949 1 555 . 1 1 102 102 VAL CG2 C 13 21.506 0 . . . . . . 102 Val CG# . 15949 1 556 . 1 1 102 102 VAL N N 15 120.451 0.061 . . . . . . 102 Val N . 15949 1 557 . 1 1 103 103 HIS H H 1 8.556 0.019 . . . . . . 103 His H . 15949 1 558 . 1 1 103 103 HIS C C 13 180.954 0 . . . . . . 103 His CO . 15949 1 559 . 1 1 103 103 HIS CA C 13 55.769 0.743 . . . . . . 103 His CA . 15949 1 560 . 1 1 103 103 HIS CB C 13 33.546 0.069 . . . . . . 103 His CB . 15949 1 561 . 1 1 103 103 HIS N N 15 120.174 0.08 . . . . . . 103 His N . 15949 1 562 . 1 1 104 104 CYS H H 1 8.33 0.005 . . . . . . 104 Cys H . 15949 1 563 . 1 1 104 104 CYS C C 13 180.488 0 . . . . . . 104 Cys CO . 15949 1 564 . 1 1 104 104 CYS CA C 13 62.583 0.002 . . . . . . 104 Cys CA . 15949 1 565 . 1 1 104 104 CYS CB C 13 29.824 0 . . . . . . 104 Cys CB . 15949 1 566 . 1 1 104 104 CYS N N 15 122.865 0.076 . . . . . . 104 Cys N . 15949 1 567 . 1 1 105 105 VAL H H 1 7.736 0.002 . . . . . . 105 Val H . 15949 1 568 . 1 1 105 105 VAL C C 13 183.109 0 . . . . . . 105 Val CO . 15949 1 569 . 1 1 105 105 VAL CA C 13 62.617 0.092 . . . . . . 105 Val CA . 15949 1 570 . 1 1 105 105 VAL CB C 13 31.855 0.184 . . . . . . 105 Val CB . 15949 1 571 . 1 1 105 105 VAL CG1 C 13 27.048 0 . . . . . . 105 Val CG1 . 15949 1 572 . 1 1 105 105 VAL CG2 C 13 25.891 0 . . . . . . 105 Val CG2 . 15949 1 573 . 1 1 105 105 VAL N N 15 122.171 0.063 . . . . . . 105 Val N . 15949 1 574 . 1 1 106 106 ALA H H 1 8.282 0.007 . . . . . . 106 Ala H . 15949 1 575 . 1 1 106 106 ALA C C 13 183.28 0 . . . . . . 106 Ala CO . 15949 1 576 . 1 1 106 106 ALA CB C 13 16.88 0 . . . . . . 106 Ala CB . 15949 1 577 . 1 1 106 106 ALA N N 15 126.052 0.154 . . . . . . 106 Ala N . 15949 1 578 . 1 1 107 107 GLY H H 1 7.8 0.001 . . . . . . 107 Gly H . 15949 1 579 . 1 1 107 107 GLY C C 13 181.923 0 . . . . . . 107 Gly CO . 15949 1 580 . 1 1 107 107 GLY CA C 13 45.125 0 . . . . . . 107 Gly CA . 15949 1 581 . 1 1 107 107 GLY N N 15 107.637 0.009 . . . . . . 107 Gly N . 15949 1 582 . 1 1 108 108 LEU H H 1 8.179 0.001 . . . . . . 108 Leu H . 15949 1 583 . 1 1 108 108 LEU C C 13 181.477 0 . . . . . . 108 Leu CO . 15949 1 584 . 1 1 108 108 LEU CA C 13 53.703 0.051 . . . . . . 108 Leu CA . 15949 1 585 . 1 1 108 108 LEU CB C 13 38.86 0.148 . . . . . . 108 Leu CB . 15949 1 586 . 1 1 108 108 LEU N N 15 120.648 0.015 . . . . . . 108 Leu N . 15949 1 587 . 1 1 109 109 GLY H H 1 8.254 0.006 . . . . . . 109 Gly H . 15949 1 588 . 1 1 109 109 GLY C C 13 180.407 0 . . . . . . 109 Gly CO . 15949 1 589 . 1 1 109 109 GLY CA C 13 45.491 0.062 . . . . . . 109 Gly CA . 15949 1 590 . 1 1 109 109 GLY N N 15 108.724 0.078 . . . . . . 109 Gly N . 15949 1 591 . 1 1 110 110 ARG H H 1 8.253 0.02 . . . . . . 110 Arg H . 15949 1 592 . 1 1 110 110 ARG N N 15 108.768 0.051 . . . . . . 110 Arg N . 15949 1 593 . 1 1 112 112 PRO C C 13 180.061 0 . . . . . . 112 Pro CO . 15949 1 594 . 1 1 112 112 PRO CA C 13 66.964 0.012 . . . . . . 112 Pro CA . 15949 1 595 . 1 1 112 112 PRO CB C 13 30.993 0.055 . . . . . . 112 Pro CB . 15949 1 596 . 1 1 112 112 PRO CG C 13 28.521 0 . . . . . . 112 Pro CG . 15949 1 597 . 1 1 113 113 VAL H H 1 8.141 0.003 . . . . . . 113 Val H . 15949 1 598 . 1 1 113 113 VAL C C 13 180.743 0 . . . . . . 113 Val CO . 15949 1 599 . 1 1 113 113 VAL CA C 13 67.797 0.107 . . . . . . 113 Val CA . 15949 1 600 . 1 1 113 113 VAL CB C 13 30.893 0.121 . . . . . . 113 Val CB . 15949 1 601 . 1 1 113 113 VAL CG1 C 13 24.747 0 . . . . . . 113 Val CG1 . 15949 1 602 . 1 1 113 113 VAL CG2 C 13 22.032 0 . . . . . . 113 Val CG2 . 15949 1 603 . 1 1 113 113 VAL N N 15 116.559 0.061 . . . . . . 113 Val N . 15949 1 604 . 1 1 114 114 LEU H H 1 7.114 0.001 . . . . . . 114 Leu H . 15949 1 605 . 1 1 114 114 LEU C C 13 177.285 0 . . . . . . 114 Leu CO . 15949 1 606 . 1 1 114 114 LEU CA C 13 58.516 0.071 . . . . . . 114 Leu CA . 15949 1 607 . 1 1 114 114 LEU CB C 13 39.242 0.021 . . . . . . 114 Leu CB . 15949 1 608 . 1 1 114 114 LEU CD1 C 13 25.436 0 . . . . . . 114 Leu CD1 . 15949 1 609 . 1 1 114 114 LEU CD2 C 13 22.199 0 . . . . . . 114 Leu CD2 . 15949 1 610 . 1 1 114 114 LEU CG C 13 26.706 0 . . . . . . 114 Leu CG . 15949 1 611 . 1 1 114 114 LEU N N 15 117.946 0.065 . . . . . . 114 Leu N . 15949 1 612 . 1 1 115 115 VAL H H 1 7.453 0.008 . . . . . . 115 Val H . 15949 1 613 . 1 1 115 115 VAL C C 13 180.459 0 . . . . . . 115 Val CO . 15949 1 614 . 1 1 115 115 VAL CA C 13 67.801 0.065 . . . . . . 115 Val CA . 15949 1 615 . 1 1 115 115 VAL CB C 13 31.043 0.088 . . . . . . 115 Val CB . 15949 1 616 . 1 1 115 115 VAL CG1 C 13 22.582 0 . . . . . . 115 Val CG1 . 15949 1 617 . 1 1 115 115 VAL CG2 C 13 21.491 0 . . . . . . 115 Val CG2 . 15949 1 618 . 1 1 115 115 VAL N N 15 119.178 0.075 . . . . . . 115 Val N . 15949 1 619 . 1 1 116 116 ALA H H 1 8.747 0.001 . . . . . . 116 Ala H . 15949 1 620 . 1 1 116 116 ALA C C 13 178.462 0 . . . . . . 116 Ala CO . 15949 1 621 . 1 1 116 116 ALA CA C 13 55.88 0.086 . . . . . . 116 Ala CA . 15949 1 622 . 1 1 116 116 ALA CB C 13 18.211 0.028 . . . . . . 116 Ala CB . 15949 1 623 . 1 1 116 116 ALA N N 15 121.065 0.061 . . . . . . 116 Ala N . 15949 1 624 . 1 1 117 117 LEU H H 1 8.015 0.003 . . . . . . 117 Leu H . 15949 1 625 . 1 1 117 117 LEU C C 13 178.342 0 . . . . . . 117 Leu CO . 15949 1 626 . 1 1 117 117 LEU CA C 13 58.305 0.063 . . . . . . 117 Leu CA . 15949 1 627 . 1 1 117 117 LEU CB C 13 43.073 0.052 . . . . . . 117 Leu CB . 15949 1 628 . 1 1 117 117 LEU CD1 C 13 26.54 0 . . . . . . 117 Leu CD1 . 15949 1 629 . 1 1 117 117 LEU CD2 C 13 21.785 0 . . . . . . 117 Leu CD2 . 15949 1 630 . 1 1 117 117 LEU CG C 13 41.075 0 . . . . . . 117 Leu CG . 15949 1 631 . 1 1 117 117 LEU N N 15 115.826 0.065 . . . . . . 117 Leu N . 15949 1 632 . 1 1 118 118 ALA H H 1 7.634 0.004 . . . . . . 118 Ala H . 15949 1 633 . 1 1 118 118 ALA C C 13 178.017 0 . . . . . . 118 Ala CO . 15949 1 634 . 1 1 118 118 ALA CA C 13 55.439 0.05 . . . . . . 118 Ala CA . 15949 1 635 . 1 1 118 118 ALA CB C 13 18.896 0.034 . . . . . . 118 Ala CB . 15949 1 636 . 1 1 118 118 ALA N N 15 119.263 0.076 . . . . . . 118 Ala N . 15949 1 637 . 1 1 119 119 LEU H H 1 7.888 0.003 . . . . . . 119 Leu H . 15949 1 638 . 1 1 119 119 LEU CA C 13 58.452 0.127 . . . . . . 119 Leu CA . 15949 1 639 . 1 1 119 119 LEU CB C 13 39.826 0.044 . . . . . . 119 Leu CB . 15949 1 640 . 1 1 119 119 LEU CD1 C 13 25.673 0 . . . . . . 119 Leu CD1 . 15949 1 641 . 1 1 119 119 LEU CD2 C 13 22.792 0 . . . . . . 119 Leu CD2 . 15949 1 642 . 1 1 119 119 LEU CG C 13 31.957 0 . . . . . . 119 Leu CG . 15949 1 643 . 1 1 119 119 LEU N N 15 117.16 0.061 . . . . . . 119 Leu N . 15949 1 644 . 1 1 120 120 ILE H H 1 8.458 0.013 . . . . . . 120 Ile H . 15949 1 645 . 1 1 120 120 ILE C C 13 175.457 0 . . . . . . 120 Ile CO . 15949 1 646 . 1 1 120 120 ILE CA C 13 63.816 0.073 . . . . . . 120 Ile CA . 15949 1 647 . 1 1 120 120 ILE CB C 13 39.172 0.042 . . . . . . 120 Ile CB . 15949 1 648 . 1 1 120 120 ILE CD1 C 13 14.544 0 . . . . . . 120 Ile CD . 15949 1 649 . 1 1 120 120 ILE CG1 C 13 28.892 0 . . . . . . 120 Ile CG1 . 15949 1 650 . 1 1 120 120 ILE CG2 C 13 16.803 0 . . . . . . 120 Ile CG2 . 15949 1 651 . 1 1 120 120 ILE N N 15 121.021 0.084 . . . . . . 120 Ile N . 15949 1 652 . 1 1 121 121 GLU H H 1 8.683 0.003 . . . . . . 121 Glu H . 15949 1 653 . 1 1 121 121 GLU C C 13 179.159 0 . . . . . . 121 Glu CO . 15949 1 654 . 1 1 121 121 GLU CA C 13 59.613 0.038 . . . . . . 121 Glu CA . 15949 1 655 . 1 1 121 121 GLU CB C 13 28.52 0.063 . . . . . . 121 Glu CB . 15949 1 656 . 1 1 121 121 GLU CG C 13 35.854 0 . . . . . . 121 Glu CG . 15949 1 657 . 1 1 121 121 GLU N N 15 121.728 0.081 . . . . . . 121 Glu N . 15949 1 658 . 1 1 122 122 GLY H H 1 8.115 0.001 . . . . . . 122 Gly H . 15949 1 659 . 1 1 122 122 GLY C C 13 183.671 0 . . . . . . 122 Gly CO . 15949 1 660 . 1 1 122 122 GLY CA C 13 45.467 0.041 . . . . . . 122 Gly CA . 15949 1 661 . 1 1 122 122 GLY N N 15 105.925 0.088 . . . . . . 122 Gly N . 15949 1 662 . 1 1 123 123 GLY H H 1 7.8 0.001 . . . . . . 123 Gly H . 15949 1 663 . 1 1 123 123 GLY C C 13 183.604 0 . . . . . . 123 Gly CO . 15949 1 664 . 1 1 123 123 GLY CA C 13 45.212 0.021 . . . . . . 123 Gly CA . 15949 1 665 . 1 1 123 123 GLY N N 15 107.593 0.065 . . . . . . 123 Gly N . 15949 1 666 . 1 1 124 124 MET H H 1 8.54 0.003 . . . . . . 124 Met H . 15949 1 667 . 1 1 124 124 MET C C 13 181.113 0 . . . . . . 124 Met CO . 15949 1 668 . 1 1 124 124 MET CA C 13 56.737 0.081 . . . . . . 124 Met CA . 15949 1 669 . 1 1 124 124 MET CB C 13 33.932 0.026 . . . . . . 124 Met CB . 15949 1 670 . 1 1 124 124 MET CG C 13 33.216 0 . . . . . . 124 Met CG . 15949 1 671 . 1 1 124 124 MET N N 15 123.929 0.063 . . . . . . 124 Met N . 15949 1 672 . 1 1 125 125 LYS H H 1 8.725 0.003 . . . . . . 125 Lys H . 15949 1 673 . 1 1 125 125 LYS C C 13 178.666 0 . . . . . . 125 Lys CO . 15949 1 674 . 1 1 125 125 LYS CA C 13 56.749 0.044 . . . . . . 125 Lys CA . 15949 1 675 . 1 1 125 125 LYS CB C 13 32.881 0.053 . . . . . . 125 Lys CB . 15949 1 676 . 1 1 125 125 LYS CD C 13 29.202 0 . . . . . . 125 Lys CD . 15949 1 677 . 1 1 125 125 LYS CE C 13 42.092 0 . . . . . . 125 Lys CE . 15949 1 678 . 1 1 125 125 LYS CG C 13 25.252 0 . . . . . . 125 Lys CG . 15949 1 679 . 1 1 125 125 LYS N N 15 123.9 0.066 . . . . . . 125 Lys N . 15949 1 680 . 1 1 126 126 TYR H H 1 9.165 0.001 . . . . . . 126 Tyr H . 15949 1 681 . 1 1 126 126 TYR C C 13 181.464 0 . . . . . . 126 Tyr CO . 15949 1 682 . 1 1 126 126 TYR CA C 13 61.407 0.028 . . . . . . 126 Tyr CA . 15949 1 683 . 1 1 126 126 TYR CB C 13 38.008 0.021 . . . . . . 126 Tyr CB . 15949 1 684 . 1 1 126 126 TYR N N 15 124.204 0.069 . . . . . . 126 Tyr N . 15949 1 685 . 1 1 127 127 GLU H H 1 9.2 0.003 . . . . . . 127 Glu H . 15949 1 686 . 1 1 127 127 GLU C C 13 178.109 0 . . . . . . 127 Glu CO . 15949 1 687 . 1 1 127 127 GLU CA C 13 60.126 0.053 . . . . . . 127 Glu CA . 15949 1 688 . 1 1 127 127 GLU CB C 13 28.726 0.068 . . . . . . 127 Glu CB . 15949 1 689 . 1 1 127 127 GLU CG C 13 36.737 0 . . . . . . 127 Glu CG . 15949 1 690 . 1 1 127 127 GLU N N 15 119.111 0.063 . . . . . . 127 Glu N . 15949 1 691 . 1 1 128 128 ASP H H 1 6.764 0.001 . . . . . . 128 Asp H . 15949 1 692 . 1 1 128 128 ASP C C 13 179.402 0 . . . . . . 128 Asp CO . 15949 1 693 . 1 1 128 128 ASP CA C 13 56.651 0.075 . . . . . . 128 Asp CA . 15949 1 694 . 1 1 128 128 ASP CB C 13 40.263 0.033 . . . . . . 128 Asp CB . 15949 1 695 . 1 1 128 128 ASP N N 15 118.33 0.068 . . . . . . 128 Asp N . 15949 1 696 . 1 1 129 129 ALA H H 1 8.316 0.002 . . . . . . 129 Ala H . 15949 1 697 . 1 1 129 129 ALA C C 13 178.088 0 . . . . . . 129 Ala CO . 15949 1 698 . 1 1 129 129 ALA CA C 13 55.672 0.122 . . . . . . 129 Ala CA . 15949 1 699 . 1 1 129 129 ALA CB C 13 18.158 0.047 . . . . . . 129 Ala CB . 15949 1 700 . 1 1 129 129 ALA N N 15 125.221 0.056 . . . . . . 129 Ala N . 15949 1 701 . 1 1 130 130 VAL H H 1 8.018 0.002 . . . . . . 130 Val H . 15949 1 702 . 1 1 130 130 VAL C C 13 178.971 0 . . . . . . 130 Val CO . 15949 1 703 . 1 1 130 130 VAL CA C 13 66.784 0.046 . . . . . . 130 Val CA . 15949 1 704 . 1 1 130 130 VAL CB C 13 31.717 0.154 . . . . . . 130 Val CB . 15949 1 705 . 1 1 130 130 VAL CG1 C 13 22.724 0 . . . . . . 130 Val CG1 . 15949 1 706 . 1 1 130 130 VAL CG2 C 13 20.636 0 . . . . . . 130 Val CG2 . 15949 1 707 . 1 1 130 130 VAL N N 15 115.856 0.072 . . . . . . 130 Val N . 15949 1 708 . 1 1 131 131 GLN H H 1 7.477 0.001 . . . . . . 131 Gln H . 15949 1 709 . 1 1 131 131 GLN C C 13 179.392 0 . . . . . . 131 Gln CO . 15949 1 710 . 1 1 131 131 GLN CA C 13 58.931 0.075 . . . . . . 131 Gln CA . 15949 1 711 . 1 1 131 131 GLN CB C 13 28.448 0.119 . . . . . . 131 Gln CB . 15949 1 712 . 1 1 131 131 GLN CG C 13 33.743 0 . . . . . . 131 Gln CG . 15949 1 713 . 1 1 131 131 GLN N N 15 118.157 0.069 . . . . . . 131 Gln N . 15949 1 714 . 1 1 132 132 PHE H H 1 8.49 0.004 . . . . . . 132 Phe H . 15949 1 715 . 1 1 132 132 PHE C C 13 179.141 0 . . . . . . 132 Phe CO . 15949 1 716 . 1 1 132 132 PHE CA C 13 60.364 0.039 . . . . . . 132 Phe CA . 15949 1 717 . 1 1 132 132 PHE CB C 13 39.769 0.057 . . . . . . 132 Phe CB . 15949 1 718 . 1 1 132 132 PHE N N 15 120.582 0.071 . . . . . . 132 Phe N . 15949 1 719 . 1 1 133 133 ILE H H 1 7.875 0.001 . . . . . . 133 Ile H . 15949 1 720 . 1 1 133 133 ILE C C 13 179.028 0 . . . . . . 133 Ile CO . 15949 1 721 . 1 1 133 133 ILE CA C 13 64.474 0.027 . . . . . . 133 Ile CA . 15949 1 722 . 1 1 133 133 ILE CB C 13 37.3 0.038 . . . . . . 133 Ile CB . 15949 1 723 . 1 1 133 133 ILE CD1 C 13 13.272 0 . . . . . . 133 Ile CD . 15949 1 724 . 1 1 133 133 ILE CG1 C 13 29.892 0 . . . . . . 133 Ile CG1 . 15949 1 725 . 1 1 133 133 ILE CG2 C 13 17.009 0 . . . . . . 133 Ile CG2 . 15949 1 726 . 1 1 133 133 ILE N N 15 116.034 0.062 . . . . . . 133 Ile N . 15949 1 727 . 1 1 134 134 ARG H H 1 8.727 0.002 . . . . . . 134 Arg H . 15949 1 728 . 1 1 134 134 ARG C C 13 179.283 0 . . . . . . 134 Arg CO . 15949 1 729 . 1 1 134 134 ARG CA C 13 59.276 0.066 . . . . . . 134 Arg CA . 15949 1 730 . 1 1 134 134 ARG CB C 13 30.395 0.103 . . . . . . 134 Arg CB . 15949 1 731 . 1 1 134 134 ARG CD C 13 44.164 0 . . . . . . 134 Arg CD . 15949 1 732 . 1 1 134 134 ARG CG C 13 29.691 0 . . . . . . 134 Arg CG . 15949 1 733 . 1 1 134 134 ARG N N 15 119.46 0.081 . . . . . . 134 Arg N . 15949 1 734 . 1 1 135 135 GLN H H 1 7.86 0.003 . . . . . . 135 Gln H . 15949 1 735 . 1 1 135 135 GLN C C 13 179.611 0 . . . . . . 135 Gln CO . 15949 1 736 . 1 1 135 135 GLN CA C 13 58.329 0.094 . . . . . . 135 Gln CA . 15949 1 737 . 1 1 135 135 GLN CB C 13 28.345 0.107 . . . . . . 135 Gln CB . 15949 1 738 . 1 1 135 135 GLN CG C 13 34.344 0 . . . . . . 135 Gln CG . 15949 1 739 . 1 1 135 135 GLN N N 15 116.935 0.075 . . . . . . 135 Gln N . 15949 1 740 . 1 1 136 136 LYS H H 1 7.158 0.002 . . . . . . 136 Lys H . 15949 1 741 . 1 1 136 136 LYS CA C 13 56.342 0 . . . . . . 136 Lys CA . 15949 1 742 . 1 1 136 136 LYS CB C 13 33.516 0 . . . . . . 136 Lys CB . 15949 1 743 . 1 1 136 136 LYS N N 15 116.107 0.075 . . . . . . 136 Lys N . 15949 1 744 . 1 1 138 138 ARG C C 13 179.387 0 . . . . . . 138 Arg CO . 15949 1 745 . 1 1 138 138 ARG CA C 13 58.359 0.047 . . . . . . 138 Arg CA . 15949 1 746 . 1 1 138 138 ARG CB C 13 29.69 0.043 . . . . . . 138 Arg CB . 15949 1 747 . 1 1 138 138 ARG CD C 13 43.265 0 . . . . . . 138 Arg CD . 15949 1 748 . 1 1 138 138 ARG CG C 13 26.826 0 . . . . . . 138 Arg CG . 15949 1 749 . 1 1 139 139 GLY H H 1 8.86 0.002 . . . . . . 139 Gly H . 15949 1 750 . 1 1 139 139 GLY C C 13 183.177 0 . . . . . . 139 Gly CO . 15949 1 751 . 1 1 139 139 GLY CA C 13 44.845 0.087 . . . . . . 139 Gly CA . 15949 1 752 . 1 1 139 139 GLY N N 15 108.764 0.08 . . . . . . 139 Gly N . 15949 1 753 . 1 1 140 140 ALA H H 1 7.302 0.002 . . . . . . 140 Ala H . 15949 1 754 . 1 1 140 140 ALA C C 13 180.194 0 . . . . . . 140 Ala CO . 15949 1 755 . 1 1 140 140 ALA CA C 13 53.123 0.032 . . . . . . 140 Ala CA . 15949 1 756 . 1 1 140 140 ALA CB C 13 18.211 0.022 . . . . . . 140 Ala CB . 15949 1 757 . 1 1 140 140 ALA N N 15 121.381 0.057 . . . . . . 140 Ala N . 15949 1 758 . 1 1 141 141 PHE H H 1 8.164 0.001 . . . . . . 141 Phe H . 15949 1 759 . 1 1 141 141 PHE N N 15 110.892 0.074 . . . . . . 141 Phe N . 15949 1 760 . 1 1 142 142 ASN C C 13 181.943 0 . . . . . . 142 Asn CO . 15949 1 761 . 1 1 142 142 ASN CA C 13 53.458 0.063 . . . . . . 142 Asn CA . 15949 1 762 . 1 1 142 142 ASN CB C 13 38.821 0.061 . . . . . . 142 Asn CB . 15949 1 763 . 1 1 143 143 SER H H 1 8.235 0.002 . . . . . . 143 Ser H . 15949 1 764 . 1 1 143 143 SER CA C 13 58.666 0 . . . . . . 143 Ser CA . 15949 1 765 . 1 1 143 143 SER CB C 13 63.845 0 . . . . . . 143 Ser CB . 15949 1 766 . 1 1 143 143 SER N N 15 115.949 0.072 . . . . . . 143 Ser N . 15949 1 767 . 1 1 144 144 LYS C C 13 177.125 0 . . . . . . 144 Lys CO . 15949 1 768 . 1 1 144 144 LYS CA C 13 59.593 0 . . . . . . 144 Lys CA . 15949 1 769 . 1 1 144 144 LYS CB C 13 32.196 0.054 . . . . . . 144 Lys CB . 15949 1 770 . 1 1 144 144 LYS CD C 13 29.181 0 . . . . . . 144 Lys CD . 15949 1 771 . 1 1 144 144 LYS CE C 13 42.157 0 . . . . . . 144 Lys CE . 15949 1 772 . 1 1 144 144 LYS CG C 13 25.283 0 . . . . . . 144 Lys CG . 15949 1 773 . 1 1 145 145 GLN H H 1 8.595 0.014 . . . . . . 145 Gln H . 15949 1 774 . 1 1 145 145 GLN C C 13 179.34 0 . . . . . . 145 Gln CO . 15949 1 775 . 1 1 145 145 GLN CA C 13 59.266 0.025 . . . . . . 145 Gln CA . 15949 1 776 . 1 1 145 145 GLN CB C 13 27.095 0.096 . . . . . . 145 Gln CB . 15949 1 777 . 1 1 145 145 GLN CG C 13 30.54 0 . . . . . . 145 Gln CG . 15949 1 778 . 1 1 145 145 GLN N N 15 120.369 0.109 . . . . . . 145 Gln N . 15949 1 779 . 1 1 146 146 LEU H H 1 8.426 0.011 . . . . . . 146 Leu H . 15949 1 780 . 1 1 146 146 LEU C C 13 178.455 0 . . . . . . 146 Leu CO . 15949 1 781 . 1 1 146 146 LEU CA C 13 58.493 0.03 . . . . . . 146 Leu CA . 15949 1 782 . 1 1 146 146 LEU CB C 13 41.592 0.081 . . . . . . 146 Leu CB . 15949 1 783 . 1 1 146 146 LEU CD1 C 13 24.423 0 . . . . . . 146 Leu CD . 15949 1 784 . 1 1 146 146 LEU CD2 C 13 24.423 0 . . . . . . 146 Leu CD . 15949 1 785 . 1 1 146 146 LEU CG C 13 26.172 0 . . . . . . 146 Leu CG . 15949 1 786 . 1 1 146 146 LEU N N 15 119.4 0.106 . . . . . . 146 Leu N . 15949 1 787 . 1 1 147 147 LEU H H 1 7.747 0.001 . . . . . . 147 Leu H . 15949 1 788 . 1 1 147 147 LEU C C 13 178.53 0 . . . . . . 147 Leu CO . 15949 1 789 . 1 1 147 147 LEU CA C 13 57.876 0.056 . . . . . . 147 Leu CA . 15949 1 790 . 1 1 147 147 LEU CB C 13 41.807 0.041 . . . . . . 147 Leu CB . 15949 1 791 . 1 1 147 147 LEU CD1 C 13 24.387 0 . . . . . . 147 Leu CD . 15949 1 792 . 1 1 147 147 LEU CD2 C 13 24.387 0 . . . . . . 147 Leu CD . 15949 1 793 . 1 1 147 147 LEU CG C 13 26.881 0 . . . . . . 147 Leu CG . 15949 1 794 . 1 1 147 147 LEU N N 15 119.495 0.078 . . . . . . 147 Leu N . 15949 1 795 . 1 1 148 148 TYR H H 1 7.504 0.001 . . . . . . 148 Tyr H . 15949 1 796 . 1 1 148 148 TYR C C 13 179.367 0 . . . . . . 148 Tyr CO . 15949 1 797 . 1 1 148 148 TYR CA C 13 61.125 0.063 . . . . . . 148 Tyr CA . 15949 1 798 . 1 1 148 148 TYR CB C 13 38.101 0.029 . . . . . . 148 Tyr CB . 15949 1 799 . 1 1 148 148 TYR N N 15 118.416 0.075 . . . . . . 148 Tyr N . 15949 1 800 . 1 1 149 149 LEU H H 1 7.833 0.002 . . . . . . 149 Leu H . 15949 1 801 . 1 1 149 149 LEU C C 13 180.24 0 . . . . . . 149 Leu CO . 15949 1 802 . 1 1 149 149 LEU CA C 13 57.483 0.072 . . . . . . 149 Leu CA . 15949 1 803 . 1 1 149 149 LEU CB C 13 42.203 0.032 . . . . . . 149 Leu CB . 15949 1 804 . 1 1 149 149 LEU CD1 C 13 22.823 0 . . . . . . 149 Leu CD . 15949 1 805 . 1 1 149 149 LEU CD2 C 13 22.823 0 . . . . . . 149 Leu CD . 15949 1 806 . 1 1 149 149 LEU CG C 13 26.37 0 . . . . . . 149 Leu CG . 15949 1 807 . 1 1 149 149 LEU N N 15 118.904 0.065 . . . . . . 149 Leu N . 15949 1 808 . 1 1 150 150 GLU H H 1 8.043 0.001 . . . . . . 150 Glu H . 15949 1 809 . 1 1 150 150 GLU C C 13 179.398 0 . . . . . . 150 Glu CO . 15949 1 810 . 1 1 150 150 GLU CA C 13 58.338 0.063 . . . . . . 150 Glu CA . 15949 1 811 . 1 1 150 150 GLU CB C 13 29.291 0.043 . . . . . . 150 Glu CB . 15949 1 812 . 1 1 150 150 GLU CG C 13 35.932 0 . . . . . . 150 Glu CG . 15949 1 813 . 1 1 150 150 GLU N N 15 120.555 0.066 . . . . . . 150 Glu N . 15949 1 814 . 1 1 151 151 LYS H H 1 7.134 0.002 . . . . . . 151 Lys H . 15949 1 815 . 1 1 151 151 LYS C C 13 181.135 0 . . . . . . 151 Lys CO . 15949 1 816 . 1 1 151 151 LYS CA C 13 55.385 0.081 . . . . . . 151 Lys CA . 15949 1 817 . 1 1 151 151 LYS CB C 13 32.537 0.051 . . . . . . 151 Lys CB . 15949 1 818 . 1 1 151 151 LYS CD C 13 28.648 0 . . . . . . 151 Lys CD . 15949 1 819 . 1 1 151 151 LYS CE C 13 42.278 0 . . . . . . 151 Lys CE . 15949 1 820 . 1 1 151 151 LYS CG C 13 26.647 0 . . . . . . 151 Lys CG . 15949 1 821 . 1 1 151 151 LYS N N 15 114.217 0.08 . . . . . . 151 Lys N . 15949 1 822 . 1 1 152 152 TYR H H 1 7.103 0.001 . . . . . . 152 Tyr H . 15949 1 823 . 1 1 152 152 TYR C C 13 181.98 0 . . . . . . 152 Tyr CO . 15949 1 824 . 1 1 152 152 TYR CA C 13 59.92 0.03 . . . . . . 152 Tyr CA . 15949 1 825 . 1 1 152 152 TYR CB C 13 37.895 0.048 . . . . . . 152 Tyr CB . 15949 1 826 . 1 1 152 152 TYR N N 15 123.417 0.173 . . . . . . 152 Tyr N . 15949 1 827 . 1 1 153 153 ARG H H 1 7.559 0.004 . . . . . . 153 Arg H . 15949 1 828 . 1 1 153 153 ARG CA C 13 51.306 0 . . . . . . 153 Arg CA . 15949 1 829 . 1 1 153 153 ARG CB C 13 30.21 0 . . . . . . 153 Arg CB . 15949 1 830 . 1 1 153 153 ARG N N 15 130.234 0.07 . . . . . . 153 Arg N . 15949 1 831 . 1 1 154 154 PRO C C 13 180.043 0 . . . . . . 154 Pro CO . 15949 1 832 . 1 1 154 154 PRO CA C 13 62.277 0.05 . . . . . . 154 Pro CA . 15949 1 833 . 1 1 154 154 PRO CB C 13 33.087 0.015 . . . . . . 154 Pro CB . 15949 1 834 . 1 1 154 154 PRO CD C 13 51.224 0 . . . . . . 154 Pro CD . 15949 1 835 . 1 1 154 154 PRO CG C 13 27.277 0 . . . . . . 154 Pro CG . 15949 1 836 . 1 1 155 155 LYS H H 1 9.898 0.004 . . . . . . 155 Lys H . 15949 1 837 . 1 1 155 155 LYS C C 13 180.238 0 . . . . . . 155 Lys CO . 15949 1 838 . 1 1 155 155 LYS CA C 13 56.464 0.031 . . . . . . 155 Lys CA . 15949 1 839 . 1 1 155 155 LYS CB C 13 33.236 0.065 . . . . . . 155 Lys CB . 15949 1 840 . 1 1 155 155 LYS CD C 13 29.17 0 . . . . . . 155 Lys CD . 15949 1 841 . 1 1 155 155 LYS CE C 13 46.109 0 . . . . . . 155 Lys CE . 15949 1 842 . 1 1 155 155 LYS CG C 13 25.154 0 . . . . . . 155 Lys CG . 15949 1 843 . 1 1 155 155 LYS N N 15 122.942 0.068 . . . . . . 155 Lys N . 15949 1 844 . 1 1 156 156 MET H H 1 8.642 0.009 . . . . . . 156 Met H . 15949 1 845 . 1 1 156 156 MET C C 13 180.101 0 . . . . . . 156 Met CO . 15949 1 846 . 1 1 156 156 MET CA C 13 55.902 0.009 . . . . . . 156 Met CA . 15949 1 847 . 1 1 156 156 MET CB C 13 30.068 0.083 . . . . . . 156 Met CB . 15949 1 848 . 1 1 156 156 MET CG C 13 32.785 0 . . . . . . 156 Met CG . 15949 1 849 . 1 1 156 156 MET N N 15 118.482 0.108 . . . . . . 156 Met N . 15949 1 850 . 1 1 157 157 ARG H H 1 8.544 0.014 . . . . . . 157 Arg H . 15949 1 851 . 1 1 157 157 ARG C C 13 180.481 0 . . . . . . 157 Arg CO . 15949 1 852 . 1 1 157 157 ARG CA C 13 57.231 0.069 . . . . . . 157 Arg CA . 15949 1 853 . 1 1 157 157 ARG CB C 13 30.576 0.091 . . . . . . 157 Arg CB . 15949 1 854 . 1 1 157 157 ARG CD C 13 37.625 0 . . . . . . 157 Arg CD . 15949 1 855 . 1 1 157 157 ARG CG C 13 27.687 0 . . . . . . 157 Arg CG . 15949 1 856 . 1 1 157 157 ARG N N 15 118.105 0.095 . . . . . . 157 Arg N . 15949 1 857 . 1 1 158 158 LEU H H 1 7.944 0.002 . . . . . . 158 Leu H . 15949 1 858 . 1 1 158 158 LEU C C 13 181.135 0 . . . . . . 158 Leu CO . 15949 1 859 . 1 1 158 158 LEU CA C 13 54.164 0.054 . . . . . . 158 Leu CA . 15949 1 860 . 1 1 158 158 LEU CB C 13 41.432 0.039 . . . . . . 158 Leu CB . 15949 1 861 . 1 1 158 158 LEU N N 15 118.601 0.121 . . . . . . 158 Leu N . 15949 1 862 . 1 1 159 159 ARG H H 1 7.518 0.012 . . . . . . 159 Arg H . 15949 1 863 . 1 1 159 159 ARG C C 13 181.576 0 . . . . . . 159 Arg CO . 15949 1 864 . 1 1 159 159 ARG CA C 13 55.96 0.06 . . . . . . 159 Arg CA . 15949 1 865 . 1 1 159 159 ARG CB C 13 30.967 0.022 . . . . . . 159 Arg CB . 15949 1 866 . 1 1 159 159 ARG CD C 13 43.467 0 . . . . . . 159 Arg CD . 15949 1 867 . 1 1 159 159 ARG CG C 13 26.879 0 . . . . . . 159 Arg CG . 15949 1 868 . 1 1 159 159 ARG N N 15 120.335 0.066 . . . . . . 159 Arg N . 15949 1 869 . 1 1 160 160 PHE H H 1 8.336 0.008 . . . . . . 160 Phe H . 15949 1 870 . 1 1 160 160 PHE C C 13 181.726 0 . . . . . . 160 Phe CO . 15949 1 871 . 1 1 160 160 PHE CA C 13 57.614 0.009 . . . . . . 160 Phe CA . 15949 1 872 . 1 1 160 160 PHE CB C 13 39.802 0.027 . . . . . . 160 Phe CB . 15949 1 873 . 1 1 160 160 PHE N N 15 122.259 0.082 . . . . . . 160 Phe N . 15949 1 874 . 1 1 161 161 LYS H H 1 8.263 0.007 . . . . . . 161 Lys H . 15949 1 875 . 1 1 161 161 LYS C C 13 181.347 0 . . . . . . 161 Lys CO . 15949 1 876 . 1 1 161 161 LYS CA C 13 56.488 0.034 . . . . . . 161 Lys CA . 15949 1 877 . 1 1 161 161 LYS CB C 13 33.136 0.065 . . . . . . 161 Lys CB . 15949 1 878 . 1 1 161 161 LYS CD C 13 29.234 0 . . . . . . 161 Lys CD . 15949 1 879 . 1 1 161 161 LYS CE C 13 42.125 0 . . . . . . 161 Lys CE . 15949 1 880 . 1 1 161 161 LYS CG C 13 24.535 0 . . . . . . 161 Lys CG . 15949 1 881 . 1 1 161 161 LYS N N 15 122.689 0.115 . . . . . . 161 Lys N . 15949 1 882 . 1 1 162 162 ASP H H 1 8.277 0.013 . . . . . . 162 Asp H . 15949 1 883 . 1 1 162 162 ASP C C 13 181.3 0 . . . . . . 162 Asp CO . 15949 1 884 . 1 1 162 162 ASP CA C 13 54.359 0.007 . . . . . . 162 Asp CA . 15949 1 885 . 1 1 162 162 ASP CB C 13 41.386 0.02 . . . . . . 162 Asp CB . 15949 1 886 . 1 1 162 162 ASP N N 15 121.841 0.099 . . . . . . 162 Asp N . 15949 1 887 . 1 1 163 163 SER H H 1 8.107 0.001 . . . . . . 163 Ser H . 15949 1 888 . 1 1 163 163 SER C C 13 183.821 0 . . . . . . 163 Ser CO . 15949 1 889 . 1 1 163 163 SER CA C 13 58.239 0.045 . . . . . . 163 Ser CA . 15949 1 890 . 1 1 163 163 SER CB C 13 64.195 0.036 . . . . . . 163 Ser CB . 15949 1 891 . 1 1 163 163 SER N N 15 115.74 0.071 . . . . . . 163 Ser N . 15949 1 892 . 1 1 164 164 ASN H H 1 8.09 0.002 . . . . . . 164 Asn H . 15949 1 893 . 1 1 164 164 ASN C C 13 180.727 0 . . . . . . 164 Asn CO . 15949 1 894 . 1 1 164 164 ASN CA C 13 55.155 0.09 . . . . . . 164 Asn CA . 15949 1 895 . 1 1 164 164 ASN CB C 13 40.96 0.097 . . . . . . 164 Asn CB . 15949 1 896 . 1 1 164 164 ASN N N 15 125.903 0.06 . . . . . . 164 Asn N . 15949 1 897 . 1 1 165 165 GLY H H 1 8.324 0.002 . . . . . . 165 Gly H . 15949 1 898 . 1 1 165 165 GLY C C 13 183.136 0 . . . . . . 165 Gly CO . 15949 1 899 . 1 1 165 165 GLY CA C 13 45.634 0.057 . . . . . . 165 Gly CA . 15949 1 900 . 1 1 165 165 GLY N N 15 114.332 0.069 . . . . . . 165 Gly N . 15949 1 901 . 1 1 166 166 HIS H H 1 8.163 0.004 . . . . . . 166 His H . 15949 1 902 . 1 1 166 166 HIS CA C 13 56.084 0 . . . . . . 166 His CA . 15949 1 903 . 1 1 166 166 HIS CB C 13 29.996 0 . . . . . . 166 His CB . 15949 1 904 . 1 1 166 166 HIS N N 15 119.156 0.071 . . . . . . 166 His N . 15949 1 905 . 1 1 169 169 ASN CA C 13 54.252 0.047 . . . . . . 169 Asn CA . 15949 1 906 . 1 1 169 169 ASN CB C 13 41.465 0.019 . . . . . . 169 Asn CB . 15949 1 907 . 1 1 170 170 SER H H 1 8.27 0.003 . . . . . . 170 Ser H . 15949 1 908 . 1 1 170 170 SER C C 13 182.671 0 . . . . . . 170 Ser CO . 15949 1 909 . 1 1 170 170 SER CA C 13 58.705 0.102 . . . . . . 170 Ser CA . 15949 1 910 . 1 1 170 170 SER CB C 13 63.885 0.075 . . . . . . 170 Ser CB . 15949 1 911 . 1 1 170 170 SER N N 15 116.441 0.09 . . . . . . 170 Ser N . 15949 1 912 . 1 1 171 171 SER H H 1 8.258 0.002 . . . . . . 171 Ser H . 15949 1 913 . 1 1 171 171 SER C C 13 183.003 0 . . . . . . 171 Ser CO . 15949 1 914 . 1 1 171 171 SER CA C 13 58.558 0.075 . . . . . . 171 Ser CA . 15949 1 915 . 1 1 171 171 SER CB C 13 63.895 0.034 . . . . . . 171 Ser CB . 15949 1 916 . 1 1 171 171 SER N N 15 117.659 0.065 . . . . . . 171 Ser N . 15949 1 917 . 1 1 172 172 ILE H H 1 7.985 0.001 . . . . . . 172 Ile H . 15949 1 918 . 1 1 172 172 ILE C C 13 181.952 0 . . . . . . 172 Ile CO . 15949 1 919 . 1 1 172 172 ILE CA C 13 61.341 0.039 . . . . . . 172 Ile CA . 15949 1 920 . 1 1 172 172 ILE CB C 13 38.679 0.025 . . . . . . 172 Ile CB . 15949 1 921 . 1 1 172 172 ILE CD1 C 13 12.897 0 . . . . . . 172 Ile CD . 15949 1 922 . 1 1 172 172 ILE CG1 C 13 27.037 0 . . . . . . 172 Ile CG1 . 15949 1 923 . 1 1 172 172 ILE CG2 C 13 17.404 0 . . . . . . 172 Ile CG2 . 15949 1 924 . 1 1 172 172 ILE N N 15 122.16 0.063 . . . . . . 172 Ile N . 15949 1 925 . 1 1 173 173 GLN H H 1 7.857 0.001 . . . . . . 173 Gln H . 15949 1 926 . 1 1 173 173 GLN CA C 13 57.374 0 . . . . . . 173 Gln CA . 15949 1 927 . 1 1 173 173 GLN CB C 13 30.469 0 . . . . . . 173 Gln CB . 15949 1 928 . 1 1 173 173 GLN N N 15 128.882 0.071 . . . . . . 173 Gln N . 15949 1 stop_ save_