data_11061 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11061 _Entry.Title ; Solution structure of the monomeric form of mouse APOBEC2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-16 _Entry.Accession_date 2008-12-17 _Entry.Last_release_date 2010-03-11 _Entry.Original_release_date 2010-03-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _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 Fumiaki Hayashi . . . 11061 2 Takashi Nagata . . . 11061 3 Toshio Nagashima . . . 11061 4 Yutaka Muto . . . 11061 5 Makoto Inoue . . . 11061 6 Takanori Kigawa . . . 11061 7 Shigeyuki Yokoyama . . . 11061 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'NPPSFA, National Project on Protein Structural and Functional Analyses' 'RIKEN Structural Genomics/Proteomics Initiative' . 11061 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'cytidine deaminase' . 11061 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11061 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 837 11061 '15N chemical shifts' 183 11061 '1H chemical shifts' 1357 11061 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-03-11 2008-12-16 original author . 11061 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RPZ 'BMRB Entry Tracking System' 11061 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11061 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title . _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Fumiaki Hayashi . . . 11061 1 2 Takashi Umehara . . . 11061 1 3 Takanori Kigawa . . . 11061 1 4 Shigeyuki Yokoyama . . . 11061 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11061 _Assembly.ID 1 _Assembly.Name APOBEC2 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 TRIS 1 $entity_1 . . yes native no no . . . 11061 1 2 'ZINC ION' 2 $ZN . . no native no no . . . 11061 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 APOBEC2 1 HIS 60 60 NE2 . 2 'ZINC ION' 2 ZN 1 1 ZN . . 60 HIS NE2 . . . . ZN 11061 1 2 coordination single . 1 APOBEC2 1 CYS 90 90 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . 90 CYS SG . . . . ZN 11061 1 3 coordination single . 1 APOBEC2 1 CYS 93 93 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . 93 CYS SG . . . . ZN 11061 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 CYS 93 93 HG . 93 CYS HG 11061 1 . . 1 1 CYS 90 90 HG . 90 CYS HG 11061 1 . . 1 1 HIS 60 60 HE2 . 60 HIS HE2 11061 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11061 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name APOBEC2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGRLPVNFFKFQFRN VEYSSGRNKTFLCYVVEVQS KGGQAQATQGYLEDEHAGAH AEEAFFNTILPAFDPALKYN VTWYVSSSPCAACADRILKT LSKTKNLRLLILVSRLFMWE EPEVQAALKKLKEAGCKLRI MKPQDFEYIWQNFVEQEEGE SKAFEPWEDIQENFLYYEEK LADILKSGPSSG ; _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 192 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 3.5.4.- _Entity.Calc_isoelectric_point . _Entity.Formula_weight 21856.842 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'GSSGSSG at the N-terminus and SGPSSG at the C-terminus are expression tags.' _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 2RPZ . "Solution Structure Of The Monomeric Form Of Mouse Apobec2" . . . . . 100.00 192 100.00 100.00 1.56e-138 . . . . 11061 1 2 no GB AAD45361 . "APOBEC-2 protein [Mus musculus]" . . . . . 93.23 224 100.00 100.00 1.87e-128 . . . . 11061 1 3 no GB AAH27530 . "Apolipoprotein B mRNA editing enzyme, catalytic polypeptide 2 [Mus musculus]" . . . . . 93.23 224 100.00 100.00 1.87e-128 . . . . 11061 1 4 no GB AAI68177 . "Apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 2 [Rattus norvegicus]" . . . . . 93.23 224 98.32 98.88 9.97e-127 . . . . 11061 1 5 no GB EDL23623 . "apolipoprotein B editing complex 2, isoform CRA_b [Mus musculus]" . . . . . 93.23 224 100.00 100.00 1.87e-128 . . . . 11061 1 6 no GB EDM18937 . "apolipoprotein B editing complex 2 (predicted), isoform CRA_a [Rattus norvegicus]" . . . . . 93.23 224 98.32 98.88 9.97e-127 . . . . 11061 1 7 no REF NP_001100353 . "probable C->U-editing enzyme APOBEC-2 [Rattus norvegicus]" . . . . . 93.23 224 98.32 98.88 9.97e-127 . . . . 11061 1 8 no REF NP_033824 . "C->U-editing enzyme APOBEC-2 [Mus musculus]" . . . . . 93.23 224 100.00 100.00 1.87e-128 . . . . 11061 1 9 no REF XP_003511809 . "PREDICTED: probable C->U-editing enzyme APOBEC-2 [Cricetulus griseus]" . . . . . 93.23 224 97.21 97.77 8.60e-125 . . . . 11061 1 10 no REF XP_007637965 . "PREDICTED: probable C->U-editing enzyme APOBEC-2 [Cricetulus griseus]" . . . . . 93.23 224 97.21 97.77 8.60e-125 . . . . 11061 1 11 no SP Q9WV35 . "RecName: Full=C->U-editing enzyme APOBEC-2; AltName: Full=mRNA(cytosine(6666)) deaminase 2" . . . . . 93.23 224 100.00 100.00 1.87e-128 . . . . 11061 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 . GLY . 11061 1 2 . SER . 11061 1 3 . SER . 11061 1 4 . GLY . 11061 1 5 . SER . 11061 1 6 . SER . 11061 1 7 . GLY . 11061 1 8 . ARG . 11061 1 9 . LEU . 11061 1 10 . PRO . 11061 1 11 . VAL . 11061 1 12 . ASN . 11061 1 13 . PHE . 11061 1 14 . PHE . 11061 1 15 . LYS . 11061 1 16 . PHE . 11061 1 17 . GLN . 11061 1 18 . PHE . 11061 1 19 . ARG . 11061 1 20 . ASN . 11061 1 21 . VAL . 11061 1 22 . GLU . 11061 1 23 . TYR . 11061 1 24 . SER . 11061 1 25 . SER . 11061 1 26 . GLY . 11061 1 27 . ARG . 11061 1 28 . ASN . 11061 1 29 . LYS . 11061 1 30 . THR . 11061 1 31 . PHE . 11061 1 32 . LEU . 11061 1 33 . CYS . 11061 1 34 . TYR . 11061 1 35 . VAL . 11061 1 36 . VAL . 11061 1 37 . GLU . 11061 1 38 . VAL . 11061 1 39 . GLN . 11061 1 40 . SER . 11061 1 41 . LYS . 11061 1 42 . GLY . 11061 1 43 . GLY . 11061 1 44 . GLN . 11061 1 45 . ALA . 11061 1 46 . GLN . 11061 1 47 . ALA . 11061 1 48 . THR . 11061 1 49 . GLN . 11061 1 50 . GLY . 11061 1 51 . TYR . 11061 1 52 . LEU . 11061 1 53 . GLU . 11061 1 54 . ASP . 11061 1 55 . GLU . 11061 1 56 . HIS . 11061 1 57 . ALA . 11061 1 58 . GLY . 11061 1 59 . ALA . 11061 1 60 . HIS . 11061 1 61 . ALA . 11061 1 62 . GLU . 11061 1 63 . GLU . 11061 1 64 . ALA . 11061 1 65 . PHE . 11061 1 66 . PHE . 11061 1 67 . ASN . 11061 1 68 . THR . 11061 1 69 . ILE . 11061 1 70 . LEU . 11061 1 71 . PRO . 11061 1 72 . ALA . 11061 1 73 . PHE . 11061 1 74 . ASP . 11061 1 75 . PRO . 11061 1 76 . ALA . 11061 1 77 . LEU . 11061 1 78 . LYS . 11061 1 79 . TYR . 11061 1 80 . ASN . 11061 1 81 . VAL . 11061 1 82 . THR . 11061 1 83 . TRP . 11061 1 84 . TYR . 11061 1 85 . VAL . 11061 1 86 . SER . 11061 1 87 . SER . 11061 1 88 . SER . 11061 1 89 . PRO . 11061 1 90 . CYS . 11061 1 91 . ALA . 11061 1 92 . ALA . 11061 1 93 . CYS . 11061 1 94 . ALA . 11061 1 95 . ASP . 11061 1 96 . ARG . 11061 1 97 . ILE . 11061 1 98 . LEU . 11061 1 99 . LYS . 11061 1 100 . THR . 11061 1 101 . LEU . 11061 1 102 . SER . 11061 1 103 . LYS . 11061 1 104 . THR . 11061 1 105 . LYS . 11061 1 106 . ASN . 11061 1 107 . LEU . 11061 1 108 . ARG . 11061 1 109 . LEU . 11061 1 110 . LEU . 11061 1 111 . ILE . 11061 1 112 . LEU . 11061 1 113 . VAL . 11061 1 114 . SER . 11061 1 115 . ARG . 11061 1 116 . LEU . 11061 1 117 . PHE . 11061 1 118 . MET . 11061 1 119 . TRP . 11061 1 120 . GLU . 11061 1 121 . GLU . 11061 1 122 . PRO . 11061 1 123 . GLU . 11061 1 124 . VAL . 11061 1 125 . GLN . 11061 1 126 . ALA . 11061 1 127 . ALA . 11061 1 128 . LEU . 11061 1 129 . LYS . 11061 1 130 . LYS . 11061 1 131 . LEU . 11061 1 132 . LYS . 11061 1 133 . GLU . 11061 1 134 . ALA . 11061 1 135 . GLY . 11061 1 136 . CYS . 11061 1 137 . LYS . 11061 1 138 . LEU . 11061 1 139 . ARG . 11061 1 140 . ILE . 11061 1 141 . MET . 11061 1 142 . LYS . 11061 1 143 . PRO . 11061 1 144 . GLN . 11061 1 145 . ASP . 11061 1 146 . PHE . 11061 1 147 . GLU . 11061 1 148 . TYR . 11061 1 149 . ILE . 11061 1 150 . TRP . 11061 1 151 . GLN . 11061 1 152 . ASN . 11061 1 153 . PHE . 11061 1 154 . VAL . 11061 1 155 . GLU . 11061 1 156 . GLN . 11061 1 157 . GLU . 11061 1 158 . GLU . 11061 1 159 . GLY . 11061 1 160 . GLU . 11061 1 161 . SER . 11061 1 162 . LYS . 11061 1 163 . ALA . 11061 1 164 . PHE . 11061 1 165 . GLU . 11061 1 166 . PRO . 11061 1 167 . TRP . 11061 1 168 . GLU . 11061 1 169 . ASP . 11061 1 170 . ILE . 11061 1 171 . GLN . 11061 1 172 . GLU . 11061 1 173 . ASN . 11061 1 174 . PHE . 11061 1 175 . LEU . 11061 1 176 . TYR . 11061 1 177 . TYR . 11061 1 178 . GLU . 11061 1 179 . GLU . 11061 1 180 . LYS . 11061 1 181 . LEU . 11061 1 182 . ALA . 11061 1 183 . ASP . 11061 1 184 . ILE . 11061 1 185 . LEU . 11061 1 186 . LYS . 11061 1 187 . SER . 11061 1 188 . GLY . 11061 1 189 . PRO . 11061 1 190 . SER . 11061 1 191 . SER . 11061 1 192 . GLY . 11061 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11061 1 . SER 2 2 11061 1 . SER 3 3 11061 1 . GLY 4 4 11061 1 . SER 5 5 11061 1 . SER 6 6 11061 1 . GLY 7 7 11061 1 . ARG 8 8 11061 1 . LEU 9 9 11061 1 . PRO 10 10 11061 1 . VAL 11 11 11061 1 . ASN 12 12 11061 1 . PHE 13 13 11061 1 . PHE 14 14 11061 1 . LYS 15 15 11061 1 . PHE 16 16 11061 1 . GLN 17 17 11061 1 . PHE 18 18 11061 1 . ARG 19 19 11061 1 . ASN 20 20 11061 1 . VAL 21 21 11061 1 . GLU 22 22 11061 1 . TYR 23 23 11061 1 . SER 24 24 11061 1 . SER 25 25 11061 1 . GLY 26 26 11061 1 . ARG 27 27 11061 1 . ASN 28 28 11061 1 . LYS 29 29 11061 1 . THR 30 30 11061 1 . PHE 31 31 11061 1 . LEU 32 32 11061 1 . CYS 33 33 11061 1 . TYR 34 34 11061 1 . VAL 35 35 11061 1 . VAL 36 36 11061 1 . GLU 37 37 11061 1 . VAL 38 38 11061 1 . GLN 39 39 11061 1 . SER 40 40 11061 1 . LYS 41 41 11061 1 . GLY 42 42 11061 1 . GLY 43 43 11061 1 . GLN 44 44 11061 1 . ALA 45 45 11061 1 . GLN 46 46 11061 1 . ALA 47 47 11061 1 . THR 48 48 11061 1 . GLN 49 49 11061 1 . GLY 50 50 11061 1 . TYR 51 51 11061 1 . LEU 52 52 11061 1 . GLU 53 53 11061 1 . ASP 54 54 11061 1 . GLU 55 55 11061 1 . HIS 56 56 11061 1 . ALA 57 57 11061 1 . GLY 58 58 11061 1 . ALA 59 59 11061 1 . HIS 60 60 11061 1 . ALA 61 61 11061 1 . GLU 62 62 11061 1 . GLU 63 63 11061 1 . ALA 64 64 11061 1 . PHE 65 65 11061 1 . PHE 66 66 11061 1 . ASN 67 67 11061 1 . THR 68 68 11061 1 . ILE 69 69 11061 1 . LEU 70 70 11061 1 . PRO 71 71 11061 1 . ALA 72 72 11061 1 . PHE 73 73 11061 1 . ASP 74 74 11061 1 . PRO 75 75 11061 1 . ALA 76 76 11061 1 . LEU 77 77 11061 1 . LYS 78 78 11061 1 . TYR 79 79 11061 1 . ASN 80 80 11061 1 . VAL 81 81 11061 1 . THR 82 82 11061 1 . TRP 83 83 11061 1 . TYR 84 84 11061 1 . VAL 85 85 11061 1 . SER 86 86 11061 1 . SER 87 87 11061 1 . SER 88 88 11061 1 . PRO 89 89 11061 1 . CYS 90 90 11061 1 . ALA 91 91 11061 1 . ALA 92 92 11061 1 . CYS 93 93 11061 1 . ALA 94 94 11061 1 . ASP 95 95 11061 1 . ARG 96 96 11061 1 . ILE 97 97 11061 1 . LEU 98 98 11061 1 . LYS 99 99 11061 1 . THR 100 100 11061 1 . LEU 101 101 11061 1 . SER 102 102 11061 1 . LYS 103 103 11061 1 . THR 104 104 11061 1 . LYS 105 105 11061 1 . ASN 106 106 11061 1 . LEU 107 107 11061 1 . ARG 108 108 11061 1 . LEU 109 109 11061 1 . LEU 110 110 11061 1 . ILE 111 111 11061 1 . LEU 112 112 11061 1 . VAL 113 113 11061 1 . SER 114 114 11061 1 . ARG 115 115 11061 1 . LEU 116 116 11061 1 . PHE 117 117 11061 1 . MET 118 118 11061 1 . TRP 119 119 11061 1 . GLU 120 120 11061 1 . GLU 121 121 11061 1 . PRO 122 122 11061 1 . GLU 123 123 11061 1 . VAL 124 124 11061 1 . GLN 125 125 11061 1 . ALA 126 126 11061 1 . ALA 127 127 11061 1 . LEU 128 128 11061 1 . LYS 129 129 11061 1 . LYS 130 130 11061 1 . LEU 131 131 11061 1 . LYS 132 132 11061 1 . GLU 133 133 11061 1 . ALA 134 134 11061 1 . GLY 135 135 11061 1 . CYS 136 136 11061 1 . LYS 137 137 11061 1 . LEU 138 138 11061 1 . ARG 139 139 11061 1 . ILE 140 140 11061 1 . MET 141 141 11061 1 . LYS 142 142 11061 1 . PRO 143 143 11061 1 . GLN 144 144 11061 1 . ASP 145 145 11061 1 . PHE 146 146 11061 1 . GLU 147 147 11061 1 . TYR 148 148 11061 1 . ILE 149 149 11061 1 . TRP 150 150 11061 1 . GLN 151 151 11061 1 . ASN 152 152 11061 1 . PHE 153 153 11061 1 . VAL 154 154 11061 1 . GLU 155 155 11061 1 . GLN 156 156 11061 1 . GLU 157 157 11061 1 . GLU 158 158 11061 1 . GLY 159 159 11061 1 . GLU 160 160 11061 1 . SER 161 161 11061 1 . LYS 162 162 11061 1 . ALA 163 163 11061 1 . PHE 164 164 11061 1 . GLU 165 165 11061 1 . PRO 166 166 11061 1 . TRP 167 167 11061 1 . GLU 168 168 11061 1 . ASP 169 169 11061 1 . ILE 170 170 11061 1 . GLN 171 171 11061 1 . GLU 172 172 11061 1 . ASN 173 173 11061 1 . PHE 174 174 11061 1 . LEU 175 175 11061 1 . TYR 176 176 11061 1 . TYR 177 177 11061 1 . GLU 178 178 11061 1 . GLU 179 179 11061 1 . LYS 180 180 11061 1 . LEU 181 181 11061 1 . ALA 182 182 11061 1 . ASP 183 183 11061 1 . ILE 184 184 11061 1 . LEU 185 185 11061 1 . LYS 186 186 11061 1 . SER 187 187 11061 1 . GLY 188 188 11061 1 . PRO 189 189 11061 1 . SER 190 190 11061 1 . SER 191 191 11061 1 . GLY 192 192 11061 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11061 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method syn _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.380 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . ZN . 11061 2 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 11061 _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 $entity_1 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11061 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 11061 _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 $entity_1 . 'cell free synthesis' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P021021-43 . . . . . . 11061 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 11061 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic . _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 INCHI InChi 1 11061 ZN [Zn++] SMILES_CANONICAL CACTVS 2.87 11061 ZN [Zn+2] SMILES OpenEye/OEToolkits 1.4.2 11061 ZN [Zn+2] SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 11061 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 'zinc(+2) cation' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 11061 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . N . 2 . . . . . . . . . . . . . . . . . . . . . 11061 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11061 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 APOBEC2 '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.25 . . mM . . . . 11061 1 2 TRIS [U-2H] . . . . . buffer 20 . . mM . . . . 11061 1 3 DTT [U-2H] . . . . . salt 1 . . mM . . . . 11061 1 4 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 11061 1 5 'sodium azide' 'natural abundance' . . . . . salt 0.02 . . % . . . . 11061 1 6 ZnCl2 'natural abundance' . . 2 $ZN . salt 100 . . uM . . . . 11061 1 7 H2O . . . . . . solvent 90 . . % . . . . 11061 1 8 D2O . . . . . . solvent 10 . . % . . . . 11061 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 11061 _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' 120 . mM 11061 1 pH 7.0 . pH 11061 1 pressure 1 . atm 11061 1 temperature 298 . K 11061 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 11061 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1c _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 11061 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11061 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 11061 _Software.ID 2 _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' . . 11061 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11061 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 11061 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 11061 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11061 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 11061 _Software.ID 4 _Software.Name Kujira _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, Iwahara, Koshiba, Tomizawa, Tochio, Kigawa, and Yokoyama' . . 11061 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11061 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 11061 _Software.ID 5 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11061 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11061 5 'structure solution' 11061 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 11061 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11061 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 11061 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11061 _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 Varian INOVA . 600 . . . 11061 1 2 spectrometer_2 Varian INOVA . 800 . . . 11061 1 3 spectrometer_3 Varian INOVA . 900 . . . 11061 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 11061 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11061 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11061 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11061 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11061 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11061 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11061 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11061 1 8 '3D HBHAHN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11061 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11061 1 10 '3D (H)CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11061 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11061 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11061 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 11061 _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 . . . . . . . . . 11061 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11061 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 11061 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 11061 _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 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 11061 1 2 '2D 1H-13C HSQC' 1 $sample_1 isotropic 11061 1 3 '3D HNCO' 1 $sample_1 isotropic 11061 1 4 '3D HN(CO)CA' 1 $sample_1 isotropic 11061 1 5 '3D HNCACB' 1 $sample_1 isotropic 11061 1 6 '3D CBCA(CO)NH' 1 $sample_1 isotropic 11061 1 7 '3D HBHA(CO)NH' 1 $sample_1 isotropic 11061 1 8 '3D HBHAHN' 1 $sample_1 isotropic 11061 1 9 '3D HCCH-TOCSY' 1 $sample_1 isotropic 11061 1 10 '3D (H)CCH-TOCSY' 1 $sample_1 isotropic 11061 1 11 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11061 1 12 '3D 1H-13C NOESY' 1 $sample_1 isotropic 11061 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 5 5 SER H H 1 8.331 0.03 . 1 . . . . 5 SER H . 11061 1 2 . 1 1 5 5 SER HA H 1 4.578 0.03 . 1 . . . . 5 SER HA . 11061 1 3 . 1 1 5 5 SER HB2 H 1 3.936 0.03 . 2 . . . . 5 SER HB2 . 11061 1 4 . 1 1 5 5 SER HB3 H 1 3.882 0.03 . 2 . . . . 5 SER HB3 . 11061 1 5 . 1 1 5 5 SER C C 13 175.028 0.3 . 1 . . . . 5 SER C . 11061 1 6 . 1 1 5 5 SER CA C 13 58.531 0.3 . 1 . . . . 5 SER CA . 11061 1 7 . 1 1 5 5 SER CB C 13 64.123 0.3 . 1 . . . . 5 SER CB . 11061 1 8 . 1 1 5 5 SER N N 15 115.929 0.3 . 1 . . . . 5 SER N . 11061 1 9 . 1 1 6 6 SER H H 1 8.615 0.03 . 1 . . . . 6 SER H . 11061 1 10 . 1 1 6 6 SER HA H 1 4.529 0.03 . 1 . . . . 6 SER HA . 11061 1 11 . 1 1 6 6 SER HB2 H 1 3.977 0.03 . 1 . . . . 6 SER HB2 . 11061 1 12 . 1 1 6 6 SER HB3 H 1 3.977 0.03 . 1 . . . . 6 SER HB3 . 11061 1 13 . 1 1 6 6 SER C C 13 175.303 0.3 . 1 . . . . 6 SER C . 11061 1 14 . 1 1 6 6 SER CA C 13 58.886 0.3 . 1 . . . . 6 SER CA . 11061 1 15 . 1 1 6 6 SER CB C 13 64.123 0.3 . 1 . . . . 6 SER CB . 11061 1 16 . 1 1 6 6 SER N N 15 118.301 0.3 . 1 . . . . 6 SER N . 11061 1 17 . 1 1 7 7 GLY H H 1 8.555 0.03 . 1 . . . . 7 GLY H . 11061 1 18 . 1 1 7 7 GLY HA2 H 1 4.111 0.03 . 1 . . . . 7 GLY HA2 . 11061 1 19 . 1 1 7 7 GLY HA3 H 1 4.111 0.03 . 1 . . . . 7 GLY HA3 . 11061 1 20 . 1 1 7 7 GLY C C 13 173.741 0.3 . 1 . . . . 7 GLY C . 11061 1 21 . 1 1 7 7 GLY CA C 13 46.062 0.3 . 1 . . . . 7 GLY CA . 11061 1 22 . 1 1 7 7 GLY N N 15 110.611 0.3 . 1 . . . . 7 GLY N . 11061 1 23 . 1 1 8 8 ARG H H 1 8.084 0.03 . 1 . . . . 8 ARG H . 11061 1 24 . 1 1 8 8 ARG HA H 1 4.620 0.03 . 1 . . . . 8 ARG HA . 11061 1 25 . 1 1 8 8 ARG HB2 H 1 1.523 0.03 . 2 . . . . 8 ARG HB2 . 11061 1 26 . 1 1 8 8 ARG HB3 H 1 1.405 0.03 . 2 . . . . 8 ARG HB3 . 11061 1 27 . 1 1 8 8 ARG HD2 H 1 2.857 0.03 . 2 . . . . 8 ARG HD2 . 11061 1 28 . 1 1 8 8 ARG HD3 H 1 2.756 0.03 . 2 . . . . 8 ARG HD3 . 11061 1 29 . 1 1 8 8 ARG HG2 H 1 1.573 0.03 . 2 . . . . 8 ARG HG2 . 11061 1 30 . 1 1 8 8 ARG HG3 H 1 1.227 0.03 . 2 . . . . 8 ARG HG3 . 11061 1 31 . 1 1 8 8 ARG C C 13 174.935 0.3 . 1 . . . . 8 ARG C . 11061 1 32 . 1 1 8 8 ARG CA C 13 54.969 0.3 . 1 . . . . 8 ARG CA . 11061 1 33 . 1 1 8 8 ARG CB C 13 33.235 0.3 . 1 . . . . 8 ARG CB . 11061 1 34 . 1 1 8 8 ARG CD C 13 43.358 0.3 . 1 . . . . 8 ARG CD . 11061 1 35 . 1 1 8 8 ARG CG C 13 28.317 0.3 . 1 . . . . 8 ARG CG . 11061 1 36 . 1 1 8 8 ARG N N 15 118.913 0.3 . 1 . . . . 8 ARG N . 11061 1 37 . 1 1 9 9 LEU H H 1 8.637 0.03 . 1 . . . . 9 LEU H . 11061 1 38 . 1 1 9 9 LEU HA H 1 4.133 0.03 . 1 . . . . 9 LEU HA . 11061 1 39 . 1 1 9 9 LEU HB2 H 1 1.004 0.03 . 2 . . . . 9 LEU HB2 . 11061 1 40 . 1 1 9 9 LEU HB3 H 1 1.213 0.03 . 2 . . . . 9 LEU HB3 . 11061 1 41 . 1 1 9 9 LEU HD11 H 1 0.465 0.03 . 1 . . . . 9 LEU MD1 . 11061 1 42 . 1 1 9 9 LEU HD12 H 1 0.465 0.03 . 1 . . . . 9 LEU MD1 . 11061 1 43 . 1 1 9 9 LEU HD13 H 1 0.465 0.03 . 1 . . . . 9 LEU MD1 . 11061 1 44 . 1 1 9 9 LEU HD21 H 1 0.430 0.03 . 1 . . . . 9 LEU MD2 . 11061 1 45 . 1 1 9 9 LEU HD22 H 1 0.430 0.03 . 1 . . . . 9 LEU MD2 . 11061 1 46 . 1 1 9 9 LEU HD23 H 1 0.430 0.03 . 1 . . . . 9 LEU MD2 . 11061 1 47 . 1 1 9 9 LEU HG H 1 1.382 0.03 . 1 . . . . 9 LEU HG . 11061 1 48 . 1 1 9 9 LEU C C 13 174.257 0.3 . 1 . . . . 9 LEU C . 11061 1 49 . 1 1 9 9 LEU CA C 13 52.710 0.3 . 1 . . . . 9 LEU CA . 11061 1 50 . 1 1 9 9 LEU CB C 13 43.479 0.3 . 1 . . . . 9 LEU CB . 11061 1 51 . 1 1 9 9 LEU CD1 C 13 25.722 0.3 . 2 . . . . 9 LEU CD1 . 11061 1 52 . 1 1 9 9 LEU CD2 C 13 26.491 0.3 . 2 . . . . 9 LEU CD2 . 11061 1 53 . 1 1 9 9 LEU CG C 13 26.363 0.3 . 1 . . . . 9 LEU CG . 11061 1 54 . 1 1 9 9 LEU N N 15 123.284 0.3 . 1 . . . . 9 LEU N . 11061 1 55 . 1 1 10 10 PRO HA H 1 4.469 0.03 . 1 . . . . 10 PRO HA . 11061 1 56 . 1 1 10 10 PRO HB2 H 1 2.364 0.03 . 2 . . . . 10 PRO HB2 . 11061 1 57 . 1 1 10 10 PRO HB3 H 1 1.550 0.03 . 2 . . . . 10 PRO HB3 . 11061 1 58 . 1 1 10 10 PRO HD2 H 1 4.236 0.03 . 2 . . . . 10 PRO HD2 . 11061 1 59 . 1 1 10 10 PRO HD3 H 1 3.386 0.03 . 2 . . . . 10 PRO HD3 . 11061 1 60 . 1 1 10 10 PRO HG2 H 1 1.943 0.03 . 2 . . . . 10 PRO HG2 . 11061 1 61 . 1 1 10 10 PRO HG3 H 1 1.835 0.03 . 2 . . . . 10 PRO HG3 . 11061 1 62 . 1 1 10 10 PRO C C 13 178.073 0.3 . 1 . . . . 10 PRO C . 11061 1 63 . 1 1 10 10 PRO CA C 13 63.265 0.3 . 1 . . . . 10 PRO CA . 11061 1 64 . 1 1 10 10 PRO CB C 13 32.926 0.3 . 1 . . . . 10 PRO CB . 11061 1 65 . 1 1 10 10 PRO CD C 13 51.366 0.3 . 1 . . . . 10 PRO CD . 11061 1 66 . 1 1 10 10 PRO CG C 13 28.087 0.3 . 1 . . . . 10 PRO CG . 11061 1 67 . 1 1 11 11 VAL H H 1 8.539 0.03 . 1 . . . . 11 VAL H . 11061 1 68 . 1 1 11 11 VAL HA H 1 3.625 0.03 . 1 . . . . 11 VAL HA . 11061 1 69 . 1 1 11 11 VAL HB H 1 2.081 0.03 . 1 . . . . 11 VAL HB . 11061 1 70 . 1 1 11 11 VAL HG11 H 1 1.132 0.03 . 1 . . . . 11 VAL MG1 . 11061 1 71 . 1 1 11 11 VAL HG12 H 1 1.132 0.03 . 1 . . . . 11 VAL MG1 . 11061 1 72 . 1 1 11 11 VAL HG13 H 1 1.132 0.03 . 1 . . . . 11 VAL MG1 . 11061 1 73 . 1 1 11 11 VAL HG21 H 1 1.199 0.03 . 1 . . . . 11 VAL MG2 . 11061 1 74 . 1 1 11 11 VAL HG22 H 1 1.199 0.03 . 1 . . . . 11 VAL MG2 . 11061 1 75 . 1 1 11 11 VAL HG23 H 1 1.199 0.03 . 1 . . . . 11 VAL MG2 . 11061 1 76 . 1 1 11 11 VAL C C 13 177.507 0.3 . 1 . . . . 11 VAL C . 11061 1 77 . 1 1 11 11 VAL CA C 13 66.721 0.3 . 1 . . . . 11 VAL CA . 11061 1 78 . 1 1 11 11 VAL CB C 13 32.128 0.3 . 1 . . . . 11 VAL CB . 11061 1 79 . 1 1 11 11 VAL CG1 C 13 23.416 0.3 . 2 . . . . 11 VAL CG1 . 11061 1 80 . 1 1 11 11 VAL CG2 C 13 20.726 0.3 . 2 . . . . 11 VAL CG2 . 11061 1 81 . 1 1 11 11 VAL N N 15 124.077 0.3 . 1 . . . . 11 VAL N . 11061 1 82 . 1 1 12 12 ASN H H 1 9.020 0.03 . 1 . . . . 12 ASN H . 11061 1 83 . 1 1 12 12 ASN HA H 1 4.518 0.03 . 1 . . . . 12 ASN HA . 11061 1 84 . 1 1 12 12 ASN HB2 H 1 2.781 0.03 . 1 . . . . 12 ASN HB2 . 11061 1 85 . 1 1 12 12 ASN HB3 H 1 2.781 0.03 . 1 . . . . 12 ASN HB3 . 11061 1 86 . 1 1 12 12 ASN HD21 H 1 7.527 0.03 . 2 . . . . 12 ASN HD21 . 11061 1 87 . 1 1 12 12 ASN HD22 H 1 6.686 0.03 . 2 . . . . 12 ASN HD22 . 11061 1 88 . 1 1 12 12 ASN C C 13 178.176 0.3 . 1 . . . . 12 ASN C . 11061 1 89 . 1 1 12 12 ASN CA C 13 56.459 0.3 . 1 . . . . 12 ASN CA . 11061 1 90 . 1 1 12 12 ASN CB C 13 37.116 0.3 . 1 . . . . 12 ASN CB . 11061 1 91 . 1 1 12 12 ASN N N 15 116.943 0.3 . 1 . . . . 12 ASN N . 11061 1 92 . 1 1 12 12 ASN ND2 N 15 112.191 0.3 . 1 . . . . 12 ASN ND2 . 11061 1 93 . 1 1 13 13 PHE H H 1 7.223 0.03 . 1 . . . . 13 PHE H . 11061 1 94 . 1 1 13 13 PHE HA H 1 4.749 0.03 . 1 . . . . 13 PHE HA . 11061 1 95 . 1 1 13 13 PHE HB2 H 1 3.006 0.03 . 2 . . . . 13 PHE HB2 . 11061 1 96 . 1 1 13 13 PHE HB3 H 1 2.638 0.03 . 2 . . . . 13 PHE HB3 . 11061 1 97 . 1 1 13 13 PHE HD1 H 1 7.197 0.03 . 1 . . . . 13 PHE HD1 . 11061 1 98 . 1 1 13 13 PHE HD2 H 1 7.197 0.03 . 1 . . . . 13 PHE HD2 . 11061 1 99 . 1 1 13 13 PHE HE1 H 1 7.552 0.03 . 1 . . . . 13 PHE HE1 . 11061 1 100 . 1 1 13 13 PHE HE2 H 1 7.552 0.03 . 1 . . . . 13 PHE HE2 . 11061 1 101 . 1 1 13 13 PHE HZ H 1 7.459 0.03 . 1 . . . . 13 PHE HZ . 11061 1 102 . 1 1 13 13 PHE C C 13 177.906 0.3 . 1 . . . . 13 PHE C . 11061 1 103 . 1 1 13 13 PHE CA C 13 58.298 0.3 . 1 . . . . 13 PHE CA . 11061 1 104 . 1 1 13 13 PHE CB C 13 37.832 0.3 . 1 . . . . 13 PHE CB . 11061 1 105 . 1 1 13 13 PHE CD1 C 13 130.524 0.3 . 1 . . . . 13 PHE CD1 . 11061 1 106 . 1 1 13 13 PHE CD2 C 13 130.524 0.3 . 1 . . . . 13 PHE CD2 . 11061 1 107 . 1 1 13 13 PHE CE1 C 13 131.963 0.3 . 1 . . . . 13 PHE CE1 . 11061 1 108 . 1 1 13 13 PHE CE2 C 13 131.963 0.3 . 1 . . . . 13 PHE CE2 . 11061 1 109 . 1 1 13 13 PHE CZ C 13 130.395 0.3 . 1 . . . . 13 PHE CZ . 11061 1 110 . 1 1 13 13 PHE N N 15 118.643 0.3 . 1 . . . . 13 PHE N . 11061 1 111 . 1 1 14 14 PHE H H 1 8.003 0.03 . 1 . . . . 14 PHE H . 11061 1 112 . 1 1 14 14 PHE HA H 1 4.195 0.03 . 1 . . . . 14 PHE HA . 11061 1 113 . 1 1 14 14 PHE HB2 H 1 2.983 0.03 . 2 . . . . 14 PHE HB2 . 11061 1 114 . 1 1 14 14 PHE HB3 H 1 3.497 0.03 . 2 . . . . 14 PHE HB3 . 11061 1 115 . 1 1 14 14 PHE HD1 H 1 7.146 0.03 . 1 . . . . 14 PHE HD1 . 11061 1 116 . 1 1 14 14 PHE HD2 H 1 7.146 0.03 . 1 . . . . 14 PHE HD2 . 11061 1 117 . 1 1 14 14 PHE HE1 H 1 7.425 0.03 . 1 . . . . 14 PHE HE1 . 11061 1 118 . 1 1 14 14 PHE HE2 H 1 7.425 0.03 . 1 . . . . 14 PHE HE2 . 11061 1 119 . 1 1 14 14 PHE C C 13 176.219 0.3 . 1 . . . . 14 PHE C . 11061 1 120 . 1 1 14 14 PHE CA C 13 62.189 0.3 . 1 . . . . 14 PHE CA . 11061 1 121 . 1 1 14 14 PHE CB C 13 39.559 0.3 . 1 . . . . 14 PHE CB . 11061 1 122 . 1 1 14 14 PHE CD1 C 13 132.190 0.3 . 1 . . . . 14 PHE CD1 . 11061 1 123 . 1 1 14 14 PHE CD2 C 13 132.190 0.3 . 1 . . . . 14 PHE CD2 . 11061 1 124 . 1 1 14 14 PHE CZ C 13 129.447 0.3 . 1 . . . . 14 PHE CZ . 11061 1 125 . 1 1 14 14 PHE N N 15 119.635 0.3 . 1 . . . . 14 PHE N . 11061 1 126 . 1 1 15 15 LYS H H 1 8.692 0.03 . 1 . . . . 15 LYS H . 11061 1 127 . 1 1 15 15 LYS HA H 1 3.677 0.03 . 1 . . . . 15 LYS HA . 11061 1 128 . 1 1 15 15 LYS HB2 H 1 1.892 0.03 . 1 . . . . 15 LYS HB2 . 11061 1 129 . 1 1 15 15 LYS HB3 H 1 1.892 0.03 . 1 . . . . 15 LYS HB3 . 11061 1 130 . 1 1 15 15 LYS HD2 H 1 1.837 0.03 . 2 . . . . 15 LYS HD2 . 11061 1 131 . 1 1 15 15 LYS HD3 H 1 1.798 0.03 . 2 . . . . 15 LYS HD3 . 11061 1 132 . 1 1 15 15 LYS HE2 H 1 3.003 0.03 . 1 . . . . 15 LYS HE2 . 11061 1 133 . 1 1 15 15 LYS HE3 H 1 3.003 0.03 . 1 . . . . 15 LYS HE3 . 11061 1 134 . 1 1 15 15 LYS HG2 H 1 2.001 0.03 . 2 . . . . 15 LYS HG2 . 11061 1 135 . 1 1 15 15 LYS HG3 H 1 1.543 0.03 . 2 . . . . 15 LYS HG3 . 11061 1 136 . 1 1 15 15 LYS CA C 13 60.170 0.3 . 1 . . . . 15 LYS CA . 11061 1 137 . 1 1 15 15 LYS CB C 13 33.060 0.3 . 1 . . . . 15 LYS CB . 11061 1 138 . 1 1 15 15 LYS CD C 13 30.026 0.3 . 1 . . . . 15 LYS CD . 11061 1 139 . 1 1 15 15 LYS CE C 13 42.178 0.3 . 1 . . . . 15 LYS CE . 11061 1 140 . 1 1 15 15 LYS CG C 13 26.916 0.3 . 1 . . . . 15 LYS CG . 11061 1 141 . 1 1 15 15 LYS N N 15 115.811 0.3 . 1 . . . . 15 LYS N . 11061 1 142 . 1 1 16 16 PHE H H 1 7.686 0.03 . 1 . . . . 16 PHE H . 11061 1 143 . 1 1 16 16 PHE HA H 1 4.561 0.03 . 1 . . . . 16 PHE HA . 11061 1 144 . 1 1 16 16 PHE HB2 H 1 3.270 0.03 . 2 . . . . 16 PHE HB2 . 11061 1 145 . 1 1 16 16 PHE HB3 H 1 3.059 0.03 . 2 . . . . 16 PHE HB3 . 11061 1 146 . 1 1 16 16 PHE HD1 H 1 7.239 0.03 . 1 . . . . 16 PHE HD1 . 11061 1 147 . 1 1 16 16 PHE HD2 H 1 7.239 0.03 . 1 . . . . 16 PHE HD2 . 11061 1 148 . 1 1 16 16 PHE HE1 H 1 7.290 0.03 . 1 . . . . 16 PHE HE1 . 11061 1 149 . 1 1 16 16 PHE HE2 H 1 7.290 0.03 . 1 . . . . 16 PHE HE2 . 11061 1 150 . 1 1 16 16 PHE HZ H 1 7.237 0.03 . 1 . . . . 16 PHE HZ . 11061 1 151 . 1 1 16 16 PHE CA C 13 59.781 0.3 . 1 . . . . 16 PHE CA . 11061 1 152 . 1 1 16 16 PHE CB C 13 40.283 0.3 . 1 . . . . 16 PHE CB . 11061 1 153 . 1 1 16 16 PHE CD1 C 13 131.600 0.3 . 1 . . . . 16 PHE CD1 . 11061 1 154 . 1 1 16 16 PHE CD2 C 13 131.600 0.3 . 1 . . . . 16 PHE CD2 . 11061 1 155 . 1 1 16 16 PHE CE1 C 13 131.553 0.3 . 1 . . . . 16 PHE CE1 . 11061 1 156 . 1 1 16 16 PHE CE2 C 13 131.553 0.3 . 1 . . . . 16 PHE CE2 . 11061 1 157 . 1 1 16 16 PHE CZ C 13 129.896 0.3 . 1 . . . . 16 PHE CZ . 11061 1 158 . 1 1 16 16 PHE N N 15 113.689 0.3 . 1 . . . . 16 PHE N . 11061 1 159 . 1 1 17 17 GLN H H 1 8.273 0.03 . 1 . . . . 17 GLN H . 11061 1 160 . 1 1 17 17 GLN HA H 1 4.131 0.03 . 1 . . . . 17 GLN HA . 11061 1 161 . 1 1 17 17 GLN HB2 H 1 1.890 0.03 . 2 . . . . 17 GLN HB2 . 11061 1 162 . 1 1 17 17 GLN HB3 H 1 1.819 0.03 . 2 . . . . 17 GLN HB3 . 11061 1 163 . 1 1 17 17 GLN HE21 H 1 7.345 0.03 . 2 . . . . 17 GLN HE21 . 11061 1 164 . 1 1 17 17 GLN HE22 H 1 6.931 0.03 . 2 . . . . 17 GLN HE22 . 11061 1 165 . 1 1 17 17 GLN HG2 H 1 2.362 0.03 . 2 . . . . 17 GLN HG2 . 11061 1 166 . 1 1 17 17 GLN HG3 H 1 1.998 0.03 . 2 . . . . 17 GLN HG3 . 11061 1 167 . 1 1 17 17 GLN CA C 13 57.765 0.3 . 1 . . . . 17 GLN CA . 11061 1 168 . 1 1 17 17 GLN CB C 13 28.429 0.3 . 1 . . . . 17 GLN CB . 11061 1 169 . 1 1 17 17 GLN CG C 13 33.048 0.3 . 1 . . . . 17 GLN CG . 11061 1 170 . 1 1 17 17 GLN NE2 N 15 109.771 0.3 . 1 . . . . 17 GLN NE2 . 11061 1 171 . 1 1 18 18 PHE H H 1 7.941 0.03 . 1 . . . . 18 PHE H . 11061 1 172 . 1 1 18 18 PHE HA H 1 4.258 0.03 . 1 . . . . 18 PHE HA . 11061 1 173 . 1 1 18 18 PHE HB2 H 1 3.098 0.03 . 2 . . . . 18 PHE HB2 . 11061 1 174 . 1 1 18 18 PHE HB3 H 1 2.845 0.03 . 2 . . . . 18 PHE HB3 . 11061 1 175 . 1 1 18 18 PHE HD1 H 1 7.212 0.03 . 1 . . . . 18 PHE HD1 . 11061 1 176 . 1 1 18 18 PHE HD2 H 1 7.212 0.03 . 1 . . . . 18 PHE HD2 . 11061 1 177 . 1 1 18 18 PHE HE1 H 1 7.066 0.03 . 1 . . . . 18 PHE HE1 . 11061 1 178 . 1 1 18 18 PHE HE2 H 1 7.066 0.03 . 1 . . . . 18 PHE HE2 . 11061 1 179 . 1 1 18 18 PHE HZ H 1 7.215 0.03 . 1 . . . . 18 PHE HZ . 11061 1 180 . 1 1 18 18 PHE CA C 13 59.753 0.3 . 1 . . . . 18 PHE CA . 11061 1 181 . 1 1 18 18 PHE CB C 13 40.382 0.3 . 1 . . . . 18 PHE CB . 11061 1 182 . 1 1 18 18 PHE CD1 C 13 130.734 0.3 . 1 . . . . 18 PHE CD1 . 11061 1 183 . 1 1 18 18 PHE CD2 C 13 130.734 0.3 . 1 . . . . 18 PHE CD2 . 11061 1 184 . 1 1 18 18 PHE N N 15 114.562 0.3 . 1 . . . . 18 PHE N . 11061 1 185 . 1 1 19 19 ARG H H 1 6.387 0.03 . 1 . . . . 19 ARG H . 11061 1 186 . 1 1 19 19 ARG HB2 H 1 1.028 0.03 . 2 . . . . 19 ARG HB2 . 11061 1 187 . 1 1 19 19 ARG HB3 H 1 0.933 0.03 . 2 . . . . 19 ARG HB3 . 11061 1 188 . 1 1 19 19 ARG HD2 H 1 2.407 0.03 . 2 . . . . 19 ARG HD2 . 11061 1 189 . 1 1 19 19 ARG HD3 H 1 2.280 0.03 . 2 . . . . 19 ARG HD3 . 11061 1 190 . 1 1 19 19 ARG HG3 H 1 0.610 0.03 . 2 . . . . 19 ARG HG3 . 11061 1 191 . 1 1 19 19 ARG CB C 13 29.663 0.3 . 1 . . . . 19 ARG CB . 11061 1 192 . 1 1 19 19 ARG CD C 13 43.418 0.3 . 1 . . . . 19 ARG CD . 11061 1 193 . 1 1 19 19 ARG CG C 13 26.544 0.3 . 1 . . . . 19 ARG CG . 11061 1 194 . 1 1 20 20 ASN H H 1 8.762 0.03 . 1 . . . . 20 ASN H . 11061 1 195 . 1 1 20 20 ASN HA H 1 5.054 0.03 . 1 . . . . 20 ASN HA . 11061 1 196 . 1 1 20 20 ASN HB2 H 1 3.158 0.03 . 2 . . . . 20 ASN HB2 . 11061 1 197 . 1 1 20 20 ASN HB3 H 1 2.749 0.03 . 2 . . . . 20 ASN HB3 . 11061 1 198 . 1 1 20 20 ASN CA C 13 53.663 0.3 . 1 . . . . 20 ASN CA . 11061 1 199 . 1 1 20 20 ASN CB C 13 39.013 0.3 . 1 . . . . 20 ASN CB . 11061 1 200 . 1 1 21 21 VAL H H 1 8.796 0.03 . 1 . . . . 21 VAL H . 11061 1 201 . 1 1 21 21 VAL HA H 1 4.082 0.03 . 1 . . . . 21 VAL HA . 11061 1 202 . 1 1 21 21 VAL HB H 1 1.877 0.03 . 1 . . . . 21 VAL HB . 11061 1 203 . 1 1 21 21 VAL HG11 H 1 0.711 0.03 . 1 . . . . 21 VAL MG1 . 11061 1 204 . 1 1 21 21 VAL HG12 H 1 0.711 0.03 . 1 . . . . 21 VAL MG1 . 11061 1 205 . 1 1 21 21 VAL HG13 H 1 0.711 0.03 . 1 . . . . 21 VAL MG1 . 11061 1 206 . 1 1 21 21 VAL HG21 H 1 0.626 0.03 . 1 . . . . 21 VAL MG2 . 11061 1 207 . 1 1 21 21 VAL HG22 H 1 0.626 0.03 . 1 . . . . 21 VAL MG2 . 11061 1 208 . 1 1 21 21 VAL HG23 H 1 0.626 0.03 . 1 . . . . 21 VAL MG2 . 11061 1 209 . 1 1 21 21 VAL CA C 13 61.188 0.3 . 1 . . . . 21 VAL CA . 11061 1 210 . 1 1 21 21 VAL CB C 13 33.265 0.3 . 1 . . . . 21 VAL CB . 11061 1 211 . 1 1 21 21 VAL CG1 C 13 21.733 0.3 . 2 . . . . 21 VAL CG1 . 11061 1 212 . 1 1 21 21 VAL CG2 C 13 19.659 0.3 . 2 . . . . 21 VAL CG2 . 11061 1 213 . 1 1 22 22 GLU H H 1 8.776 0.03 . 1 . . . . 22 GLU H . 11061 1 214 . 1 1 22 22 GLU HA H 1 4.038 0.03 . 1 . . . . 22 GLU HA . 11061 1 215 . 1 1 22 22 GLU HB2 H 1 1.777 0.03 . 2 . . . . 22 GLU HB2 . 11061 1 216 . 1 1 22 22 GLU HB3 H 1 1.726 0.03 . 2 . . . . 22 GLU HB3 . 11061 1 217 . 1 1 22 22 GLU HG2 H 1 2.101 0.03 . 2 . . . . 22 GLU HG2 . 11061 1 218 . 1 1 22 22 GLU HG3 H 1 1.877 0.03 . 2 . . . . 22 GLU HG3 . 11061 1 219 . 1 1 22 22 GLU CA C 13 57.611 0.3 . 1 . . . . 22 GLU CA . 11061 1 220 . 1 1 22 22 GLU CB C 13 29.928 0.3 . 1 . . . . 22 GLU CB . 11061 1 221 . 1 1 22 22 GLU CG C 13 35.694 0.3 . 1 . . . . 22 GLU CG . 11061 1 222 . 1 1 23 23 TYR H H 1 7.755 0.03 . 1 . . . . 23 TYR H . 11061 1 223 . 1 1 23 23 TYR HA H 1 4.814 0.03 . 1 . . . . 23 TYR HA . 11061 1 224 . 1 1 23 23 TYR HB2 H 1 3.062 0.03 . 2 . . . . 23 TYR HB2 . 11061 1 225 . 1 1 23 23 TYR HB3 H 1 3.009 0.03 . 2 . . . . 23 TYR HB3 . 11061 1 226 . 1 1 23 23 TYR HD1 H 1 7.092 0.03 . 1 . . . . 23 TYR HD1 . 11061 1 227 . 1 1 23 23 TYR HD2 H 1 7.092 0.03 . 1 . . . . 23 TYR HD2 . 11061 1 228 . 1 1 23 23 TYR HE1 H 1 6.773 0.03 . 1 . . . . 23 TYR HE1 . 11061 1 229 . 1 1 23 23 TYR HE2 H 1 6.773 0.03 . 1 . . . . 23 TYR HE2 . 11061 1 230 . 1 1 23 23 TYR CA C 13 56.909 0.3 . 1 . . . . 23 TYR CA . 11061 1 231 . 1 1 23 23 TYR CB C 13 39.563 0.3 . 1 . . . . 23 TYR CB . 11061 1 232 . 1 1 23 23 TYR CD1 C 13 133.379 0.3 . 1 . . . . 23 TYR CD1 . 11061 1 233 . 1 1 23 23 TYR CD2 C 13 133.379 0.3 . 1 . . . . 23 TYR CD2 . 11061 1 234 . 1 1 23 23 TYR CE1 C 13 118.357 0.3 . 1 . . . . 23 TYR CE1 . 11061 1 235 . 1 1 23 23 TYR CE2 C 13 118.357 0.3 . 1 . . . . 23 TYR CE2 . 11061 1 236 . 1 1 24 24 SER HA H 1 4.392 0.03 . 1 . . . . 24 SER HA . 11061 1 237 . 1 1 24 24 SER HB2 H 1 3.931 0.03 . 2 . . . . 24 SER HB2 . 11061 1 238 . 1 1 24 24 SER HB3 H 1 3.890 0.03 . 2 . . . . 24 SER HB3 . 11061 1 239 . 1 1 24 24 SER C C 13 174.561 0.3 . 1 . . . . 24 SER C . 11061 1 240 . 1 1 24 24 SER CA C 13 58.906 0.3 . 1 . . . . 24 SER CA . 11061 1 241 . 1 1 24 24 SER CB C 13 64.022 0.3 . 1 . . . . 24 SER CB . 11061 1 242 . 1 1 25 25 SER H H 1 8.171 0.03 . 1 . . . . 25 SER H . 11061 1 243 . 1 1 25 25 SER HA H 1 4.447 0.03 . 1 . . . . 25 SER HA . 11061 1 244 . 1 1 25 25 SER HB2 H 1 3.897 0.03 . 1 . . . . 25 SER HB2 . 11061 1 245 . 1 1 25 25 SER HB3 H 1 3.897 0.03 . 1 . . . . 25 SER HB3 . 11061 1 246 . 1 1 25 25 SER C C 13 175.015 0.3 . 1 . . . . 25 SER C . 11061 1 247 . 1 1 25 25 SER CA C 13 58.786 0.3 . 1 . . . . 25 SER CA . 11061 1 248 . 1 1 25 25 SER CB C 13 63.954 0.3 . 1 . . . . 25 SER CB . 11061 1 249 . 1 1 25 25 SER N N 15 117.489 0.3 . 1 . . . . 25 SER N . 11061 1 250 . 1 1 26 26 GLY H H 1 8.501 0.03 . 1 . . . . 26 GLY H . 11061 1 251 . 1 1 26 26 GLY HA2 H 1 3.941 0.03 . 2 . . . . 26 GLY HA2 . 11061 1 252 . 1 1 26 26 GLY HA3 H 1 4.141 0.03 . 2 . . . . 26 GLY HA3 . 11061 1 253 . 1 1 26 26 GLY C C 13 173.926 0.3 . 1 . . . . 26 GLY C . 11061 1 254 . 1 1 26 26 GLY CA C 13 45.536 0.3 . 1 . . . . 26 GLY CA . 11061 1 255 . 1 1 26 26 GLY N N 15 110.967 0.3 . 1 . . . . 26 GLY N . 11061 1 256 . 1 1 27 27 ARG H H 1 8.024 0.03 . 1 . . . . 27 ARG H . 11061 1 257 . 1 1 27 27 ARG HA H 1 4.419 0.03 . 1 . . . . 27 ARG HA . 11061 1 258 . 1 1 27 27 ARG HB2 H 1 1.626 0.03 . 2 . . . . 27 ARG HB2 . 11061 1 259 . 1 1 27 27 ARG HB3 H 1 1.824 0.03 . 2 . . . . 27 ARG HB3 . 11061 1 260 . 1 1 27 27 ARG HD2 H 1 2.998 0.03 . 2 . . . . 27 ARG HD2 . 11061 1 261 . 1 1 27 27 ARG HD3 H 1 2.961 0.03 . 2 . . . . 27 ARG HD3 . 11061 1 262 . 1 1 27 27 ARG HE H 1 7.263 0.03 . 1 . . . . 27 ARG HE . 11061 1 263 . 1 1 27 27 ARG HG2 H 1 1.463 0.03 . 2 . . . . 27 ARG HG2 . 11061 1 264 . 1 1 27 27 ARG HG3 H 1 1.281 0.03 . 2 . . . . 27 ARG HG3 . 11061 1 265 . 1 1 27 27 ARG C C 13 175.787 0.3 . 1 . . . . 27 ARG C . 11061 1 266 . 1 1 27 27 ARG CA C 13 55.963 0.3 . 1 . . . . 27 ARG CA . 11061 1 267 . 1 1 27 27 ARG CB C 13 30.254 0.3 . 1 . . . . 27 ARG CB . 11061 1 268 . 1 1 27 27 ARG CD C 13 43.489 0.3 . 1 . . . . 27 ARG CD . 11061 1 269 . 1 1 27 27 ARG CG C 13 27.492 0.3 . 1 . . . . 27 ARG CG . 11061 1 270 . 1 1 27 27 ARG N N 15 120.832 0.3 . 1 . . . . 27 ARG N . 11061 1 271 . 1 1 28 28 ASN H H 1 8.370 0.03 . 1 . . . . 28 ASN H . 11061 1 272 . 1 1 28 28 ASN HA H 1 4.716 0.03 . 1 . . . . 28 ASN HA . 11061 1 273 . 1 1 28 28 ASN HB2 H 1 2.727 0.03 . 2 . . . . 28 ASN HB2 . 11061 1 274 . 1 1 28 28 ASN HB3 H 1 2.678 0.03 . 2 . . . . 28 ASN HB3 . 11061 1 275 . 1 1 28 28 ASN HD21 H 1 7.423 0.03 . 2 . . . . 28 ASN HD21 . 11061 1 276 . 1 1 28 28 ASN HD22 H 1 6.772 0.03 . 2 . . . . 28 ASN HD22 . 11061 1 277 . 1 1 28 28 ASN C C 13 174.036 0.3 . 1 . . . . 28 ASN C . 11061 1 278 . 1 1 28 28 ASN CA C 13 53.340 0.3 . 1 . . . . 28 ASN CA . 11061 1 279 . 1 1 28 28 ASN CB C 13 39.827 0.3 . 1 . . . . 28 ASN CB . 11061 1 280 . 1 1 28 28 ASN N N 15 120.956 0.3 . 1 . . . . 28 ASN N . 11061 1 281 . 1 1 28 28 ASN ND2 N 15 112.845 0.3 . 1 . . . . 28 ASN ND2 . 11061 1 282 . 1 1 29 29 LYS H H 1 7.852 0.03 . 1 . . . . 29 LYS H . 11061 1 283 . 1 1 29 29 LYS HA H 1 4.319 0.03 . 1 . . . . 29 LYS HA . 11061 1 284 . 1 1 29 29 LYS HB2 H 1 1.623 0.03 . 1 . . . . 29 LYS HB2 . 11061 1 285 . 1 1 29 29 LYS HB3 H 1 1.623 0.03 . 1 . . . . 29 LYS HB3 . 11061 1 286 . 1 1 29 29 LYS HD2 H 1 1.618 0.03 . 1 . . . . 29 LYS HD2 . 11061 1 287 . 1 1 29 29 LYS HD3 H 1 1.618 0.03 . 1 . . . . 29 LYS HD3 . 11061 1 288 . 1 1 29 29 LYS HE2 H 1 2.840 0.03 . 2 . . . . 29 LYS HE2 . 11061 1 289 . 1 1 29 29 LYS HE3 H 1 2.793 0.03 . 2 . . . . 29 LYS HE3 . 11061 1 290 . 1 1 29 29 LYS HG2 H 1 1.256 0.03 . 2 . . . . 29 LYS HG2 . 11061 1 291 . 1 1 29 29 LYS HG3 H 1 1.175 0.03 . 2 . . . . 29 LYS HG3 . 11061 1 292 . 1 1 29 29 LYS C C 13 174.603 0.3 . 1 . . . . 29 LYS C . 11061 1 293 . 1 1 29 29 LYS CA C 13 55.729 0.3 . 1 . . . . 29 LYS CA . 11061 1 294 . 1 1 29 29 LYS CB C 13 35.241 0.3 . 1 . . . . 29 LYS CB . 11061 1 295 . 1 1 29 29 LYS CD C 13 29.538 0.3 . 1 . . . . 29 LYS CD . 11061 1 296 . 1 1 29 29 LYS CE C 13 42.120 0.3 . 1 . . . . 29 LYS CE . 11061 1 297 . 1 1 29 29 LYS CG C 13 24.705 0.3 . 1 . . . . 29 LYS CG . 11061 1 298 . 1 1 29 29 LYS N N 15 121.278 0.3 . 1 . . . . 29 LYS N . 11061 1 299 . 1 1 30 30 THR H H 1 8.277 0.03 . 1 . . . . 30 THR H . 11061 1 300 . 1 1 30 30 THR HA H 1 3.814 0.03 . 1 . . . . 30 THR HA . 11061 1 301 . 1 1 30 30 THR HB H 1 4.034 0.03 . 1 . . . . 30 THR HB . 11061 1 302 . 1 1 30 30 THR HG21 H 1 0.898 0.03 . 1 . . . . 30 THR MG . 11061 1 303 . 1 1 30 30 THR HG22 H 1 0.898 0.03 . 1 . . . . 30 THR MG . 11061 1 304 . 1 1 30 30 THR HG23 H 1 0.898 0.03 . 1 . . . . 30 THR MG . 11061 1 305 . 1 1 30 30 THR CA C 13 63.168 0.3 . 1 . . . . 30 THR CA . 11061 1 306 . 1 1 30 30 THR CB C 13 68.414 0.3 . 1 . . . . 30 THR CB . 11061 1 307 . 1 1 30 30 THR CG2 C 13 23.341 0.3 . 1 . . . . 30 THR CG2 . 11061 1 308 . 1 1 31 31 PHE H H 1 8.114 0.03 . 1 . . . . 31 PHE H . 11061 1 309 . 1 1 31 31 PHE HA H 1 4.834 0.03 . 1 . . . . 31 PHE HA . 11061 1 310 . 1 1 31 31 PHE HB2 H 1 2.783 0.03 . 2 . . . . 31 PHE HB2 . 11061 1 311 . 1 1 31 31 PHE HB3 H 1 2.704 0.03 . 2 . . . . 31 PHE HB3 . 11061 1 312 . 1 1 31 31 PHE HD1 H 1 7.093 0.03 . 1 . . . . 31 PHE HD1 . 11061 1 313 . 1 1 31 31 PHE HD2 H 1 7.093 0.03 . 1 . . . . 31 PHE HD2 . 11061 1 314 . 1 1 31 31 PHE HE1 H 1 7.100 0.03 . 1 . . . . 31 PHE HE1 . 11061 1 315 . 1 1 31 31 PHE HE2 H 1 7.100 0.03 . 1 . . . . 31 PHE HE2 . 11061 1 316 . 1 1 31 31 PHE HZ H 1 6.767 0.03 . 1 . . . . 31 PHE HZ . 11061 1 317 . 1 1 31 31 PHE C C 13 172.994 0.3 . 1 . . . . 31 PHE C . 11061 1 318 . 1 1 31 31 PHE CA C 13 57.458 0.3 . 1 . . . . 31 PHE CA . 11061 1 319 . 1 1 31 31 PHE CB C 13 43.367 0.3 . 1 . . . . 31 PHE CB . 11061 1 320 . 1 1 31 31 PHE CD1 C 13 131.272 0.3 . 1 . . . . 31 PHE CD1 . 11061 1 321 . 1 1 31 31 PHE CD2 C 13 131.272 0.3 . 1 . . . . 31 PHE CD2 . 11061 1 322 . 1 1 31 31 PHE CE1 C 13 131.400 0.3 . 1 . . . . 31 PHE CE1 . 11061 1 323 . 1 1 31 31 PHE CE2 C 13 131.400 0.3 . 1 . . . . 31 PHE CE2 . 11061 1 324 . 1 1 31 31 PHE CZ C 13 129.889 0.3 . 1 . . . . 31 PHE CZ . 11061 1 325 . 1 1 31 31 PHE N N 15 123.780 0.3 . 1 . . . . 31 PHE N . 11061 1 326 . 1 1 32 32 LEU H H 1 9.049 0.03 . 1 . . . . 32 LEU H . 11061 1 327 . 1 1 32 32 LEU HA H 1 5.028 0.03 . 1 . . . . 32 LEU HA . 11061 1 328 . 1 1 32 32 LEU HB2 H 1 1.468 0.03 . 2 . . . . 32 LEU HB2 . 11061 1 329 . 1 1 32 32 LEU HB3 H 1 0.967 0.03 . 2 . . . . 32 LEU HB3 . 11061 1 330 . 1 1 32 32 LEU HD11 H 1 -0.619 0.03 . 1 . . . . 32 LEU MD1 . 11061 1 331 . 1 1 32 32 LEU HD12 H 1 -0.619 0.03 . 1 . . . . 32 LEU MD1 . 11061 1 332 . 1 1 32 32 LEU HD13 H 1 -0.619 0.03 . 1 . . . . 32 LEU MD1 . 11061 1 333 . 1 1 32 32 LEU HD21 H 1 -0.166 0.03 . 1 . . . . 32 LEU MD2 . 11061 1 334 . 1 1 32 32 LEU HD22 H 1 -0.166 0.03 . 1 . . . . 32 LEU MD2 . 11061 1 335 . 1 1 32 32 LEU HD23 H 1 -0.166 0.03 . 1 . . . . 32 LEU MD2 . 11061 1 336 . 1 1 32 32 LEU HG H 1 0.896 0.03 . 1 . . . . 32 LEU HG . 11061 1 337 . 1 1 32 32 LEU C C 13 175.363 0.3 . 1 . . . . 32 LEU C . 11061 1 338 . 1 1 32 32 LEU CA C 13 54.606 0.3 . 1 . . . . 32 LEU CA . 11061 1 339 . 1 1 32 32 LEU CB C 13 47.481 0.3 . 1 . . . . 32 LEU CB . 11061 1 340 . 1 1 32 32 LEU CD1 C 13 25.943 0.3 . 2 . . . . 32 LEU CD1 . 11061 1 341 . 1 1 32 32 LEU CD2 C 13 24.511 0.3 . 2 . . . . 32 LEU CD2 . 11061 1 342 . 1 1 32 32 LEU CG C 13 28.298 0.3 . 1 . . . . 32 LEU CG . 11061 1 343 . 1 1 32 32 LEU N N 15 127.072 0.3 . 1 . . . . 32 LEU N . 11061 1 344 . 1 1 33 33 CYS H H 1 9.517 0.03 . 1 . . . . 33 CYS H . 11061 1 345 . 1 1 33 33 CYS HA H 1 5.069 0.03 . 1 . . . . 33 CYS HA . 11061 1 346 . 1 1 33 33 CYS HB2 H 1 2.587 0.03 . 2 . . . . 33 CYS HB2 . 11061 1 347 . 1 1 33 33 CYS HB3 H 1 1.360 0.03 . 2 . . . . 33 CYS HB3 . 11061 1 348 . 1 1 33 33 CYS C C 13 173.467 0.3 . 1 . . . . 33 CYS C . 11061 1 349 . 1 1 33 33 CYS CA C 13 58.009 0.3 . 1 . . . . 33 CYS CA . 11061 1 350 . 1 1 33 33 CYS CB C 13 28.076 0.3 . 1 . . . . 33 CYS CB . 11061 1 351 . 1 1 33 33 CYS N N 15 125.285 0.3 . 1 . . . . 33 CYS N . 11061 1 352 . 1 1 34 34 TYR H H 1 9.046 0.03 . 1 . . . . 34 TYR H . 11061 1 353 . 1 1 34 34 TYR HA H 1 6.319 0.03 . 1 . . . . 34 TYR HA . 11061 1 354 . 1 1 34 34 TYR HB2 H 1 2.583 0.03 . 2 . . . . 34 TYR HB2 . 11061 1 355 . 1 1 34 34 TYR HB3 H 1 3.011 0.03 . 2 . . . . 34 TYR HB3 . 11061 1 356 . 1 1 34 34 TYR HD1 H 1 6.821 0.03 . 1 . . . . 34 TYR HD1 . 11061 1 357 . 1 1 34 34 TYR HD2 H 1 6.821 0.03 . 1 . . . . 34 TYR HD2 . 11061 1 358 . 1 1 34 34 TYR HE1 H 1 6.510 0.03 . 1 . . . . 34 TYR HE1 . 11061 1 359 . 1 1 34 34 TYR HE2 H 1 6.510 0.03 . 1 . . . . 34 TYR HE2 . 11061 1 360 . 1 1 34 34 TYR C C 13 173.449 0.3 . 1 . . . . 34 TYR C . 11061 1 361 . 1 1 34 34 TYR CA C 13 54.950 0.3 . 1 . . . . 34 TYR CA . 11061 1 362 . 1 1 34 34 TYR CB C 13 43.186 0.3 . 1 . . . . 34 TYR CB . 11061 1 363 . 1 1 34 34 TYR N N 15 120.832 0.3 . 1 . . . . 34 TYR N . 11061 1 364 . 1 1 35 35 VAL H H 1 9.286 0.03 . 1 . . . . 35 VAL H . 11061 1 365 . 1 1 35 35 VAL HA H 1 4.980 0.03 . 1 . . . . 35 VAL HA . 11061 1 366 . 1 1 35 35 VAL HB H 1 2.297 0.03 . 1 . . . . 35 VAL HB . 11061 1 367 . 1 1 35 35 VAL HG11 H 1 1.168 0.03 . 1 . . . . 35 VAL MG1 . 11061 1 368 . 1 1 35 35 VAL HG12 H 1 1.168 0.03 . 1 . . . . 35 VAL MG1 . 11061 1 369 . 1 1 35 35 VAL HG13 H 1 1.168 0.03 . 1 . . . . 35 VAL MG1 . 11061 1 370 . 1 1 35 35 VAL HG21 H 1 1.421 0.03 . 1 . . . . 35 VAL MG2 . 11061 1 371 . 1 1 35 35 VAL HG22 H 1 1.421 0.03 . 1 . . . . 35 VAL MG2 . 11061 1 372 . 1 1 35 35 VAL HG23 H 1 1.421 0.03 . 1 . . . . 35 VAL MG2 . 11061 1 373 . 1 1 35 35 VAL C C 13 176.172 0.3 . 1 . . . . 35 VAL C . 11061 1 374 . 1 1 35 35 VAL CA C 13 62.579 0.3 . 1 . . . . 35 VAL CA . 11061 1 375 . 1 1 35 35 VAL CB C 13 35.772 0.3 . 1 . . . . 35 VAL CB . 11061 1 376 . 1 1 35 35 VAL CG1 C 13 21.466 0.3 . 2 . . . . 35 VAL CG1 . 11061 1 377 . 1 1 35 35 VAL CG2 C 13 21.622 0.3 . 2 . . . . 35 VAL CG2 . 11061 1 378 . 1 1 35 35 VAL N N 15 118.745 0.3 . 1 . . . . 35 VAL N . 11061 1 379 . 1 1 36 36 VAL H H 1 9.625 0.03 . 1 . . . . 36 VAL H . 11061 1 380 . 1 1 36 36 VAL HA H 1 4.711 0.03 . 1 . . . . 36 VAL HA . 11061 1 381 . 1 1 36 36 VAL HB H 1 2.455 0.03 . 1 . . . . 36 VAL HB . 11061 1 382 . 1 1 36 36 VAL HG11 H 1 1.159 0.03 . 1 . . . . 36 VAL MG1 . 11061 1 383 . 1 1 36 36 VAL HG12 H 1 1.159 0.03 . 1 . . . . 36 VAL MG1 . 11061 1 384 . 1 1 36 36 VAL HG13 H 1 1.159 0.03 . 1 . . . . 36 VAL MG1 . 11061 1 385 . 1 1 36 36 VAL HG21 H 1 1.332 0.03 . 1 . . . . 36 VAL MG2 . 11061 1 386 . 1 1 36 36 VAL HG22 H 1 1.332 0.03 . 1 . . . . 36 VAL MG2 . 11061 1 387 . 1 1 36 36 VAL HG23 H 1 1.332 0.03 . 1 . . . . 36 VAL MG2 . 11061 1 388 . 1 1 36 36 VAL C C 13 174.629 0.3 . 1 . . . . 36 VAL C . 11061 1 389 . 1 1 36 36 VAL CA C 13 62.085 0.3 . 1 . . . . 36 VAL CA . 11061 1 390 . 1 1 36 36 VAL CB C 13 34.006 0.3 . 1 . . . . 36 VAL CB . 11061 1 391 . 1 1 36 36 VAL CG1 C 13 21.892 0.3 . 2 . . . . 36 VAL CG1 . 11061 1 392 . 1 1 36 36 VAL CG2 C 13 22.007 0.3 . 2 . . . . 36 VAL CG2 . 11061 1 393 . 1 1 36 36 VAL N N 15 127.311 0.3 . 1 . . . . 36 VAL N . 11061 1 394 . 1 1 37 37 GLU H H 1 9.002 0.03 . 1 . . . . 37 GLU H . 11061 1 395 . 1 1 37 37 GLU HA H 1 5.243 0.03 . 1 . . . . 37 GLU HA . 11061 1 396 . 1 1 37 37 GLU HB2 H 1 2.159 0.03 . 2 . . . . 37 GLU HB2 . 11061 1 397 . 1 1 37 37 GLU HB3 H 1 2.262 0.03 . 2 . . . . 37 GLU HB3 . 11061 1 398 . 1 1 37 37 GLU HG2 H 1 2.043 0.03 . 2 . . . . 37 GLU HG2 . 11061 1 399 . 1 1 37 37 GLU HG3 H 1 2.230 0.03 . 2 . . . . 37 GLU HG3 . 11061 1 400 . 1 1 37 37 GLU C C 13 175.047 0.3 . 1 . . . . 37 GLU C . 11061 1 401 . 1 1 37 37 GLU CA C 13 55.190 0.3 . 1 . . . . 37 GLU CA . 11061 1 402 . 1 1 37 37 GLU CB C 13 32.641 0.3 . 1 . . . . 37 GLU CB . 11061 1 403 . 1 1 37 37 GLU CG C 13 37.765 0.3 . 1 . . . . 37 GLU CG . 11061 1 404 . 1 1 37 37 GLU N N 15 128.632 0.3 . 1 . . . . 37 GLU N . 11061 1 405 . 1 1 38 38 VAL H H 1 8.913 0.03 . 1 . . . . 38 VAL H . 11061 1 406 . 1 1 38 38 VAL HA H 1 4.891 0.03 . 1 . . . . 38 VAL HA . 11061 1 407 . 1 1 38 38 VAL HB H 1 1.868 0.03 . 1 . . . . 38 VAL HB . 11061 1 408 . 1 1 38 38 VAL HG11 H 1 0.596 0.03 . 1 . . . . 38 VAL MG1 . 11061 1 409 . 1 1 38 38 VAL HG12 H 1 0.596 0.03 . 1 . . . . 38 VAL MG1 . 11061 1 410 . 1 1 38 38 VAL HG13 H 1 0.596 0.03 . 1 . . . . 38 VAL MG1 . 11061 1 411 . 1 1 38 38 VAL HG21 H 1 0.886 0.03 . 1 . . . . 38 VAL MG2 . 11061 1 412 . 1 1 38 38 VAL HG22 H 1 0.886 0.03 . 1 . . . . 38 VAL MG2 . 11061 1 413 . 1 1 38 38 VAL HG23 H 1 0.886 0.03 . 1 . . . . 38 VAL MG2 . 11061 1 414 . 1 1 38 38 VAL C C 13 175.873 0.3 . 1 . . . . 38 VAL C . 11061 1 415 . 1 1 38 38 VAL CA C 13 60.651 0.3 . 1 . . . . 38 VAL CA . 11061 1 416 . 1 1 38 38 VAL CB C 13 34.261 0.3 . 1 . . . . 38 VAL CB . 11061 1 417 . 1 1 38 38 VAL CG1 C 13 22.734 0.3 . 2 . . . . 38 VAL CG1 . 11061 1 418 . 1 1 38 38 VAL CG2 C 13 21.744 0.3 . 2 . . . . 38 VAL CG2 . 11061 1 419 . 1 1 38 38 VAL N N 15 125.355 0.3 . 1 . . . . 38 VAL N . 11061 1 420 . 1 1 39 39 GLN H H 1 8.880 0.03 . 1 . . . . 39 GLN H . 11061 1 421 . 1 1 39 39 GLN HA H 1 4.941 0.03 . 1 . . . . 39 GLN HA . 11061 1 422 . 1 1 39 39 GLN HB2 H 1 1.859 0.03 . 2 . . . . 39 GLN HB2 . 11061 1 423 . 1 1 39 39 GLN HB3 H 1 2.018 0.03 . 2 . . . . 39 GLN HB3 . 11061 1 424 . 1 1 39 39 GLN HE21 H 1 7.522 0.03 . 2 . . . . 39 GLN HE21 . 11061 1 425 . 1 1 39 39 GLN HE22 H 1 6.754 0.03 . 2 . . . . 39 GLN HE22 . 11061 1 426 . 1 1 39 39 GLN HG2 H 1 2.148 0.03 . 2 . . . . 39 GLN HG2 . 11061 1 427 . 1 1 39 39 GLN HG3 H 1 2.328 0.03 . 2 . . . . 39 GLN HG3 . 11061 1 428 . 1 1 39 39 GLN C C 13 175.163 0.3 . 1 . . . . 39 GLN C . 11061 1 429 . 1 1 39 39 GLN CA C 13 54.806 0.3 . 1 . . . . 39 GLN CA . 11061 1 430 . 1 1 39 39 GLN CB C 13 32.221 0.3 . 1 . . . . 39 GLN CB . 11061 1 431 . 1 1 39 39 GLN CG C 13 33.804 0.3 . 1 . . . . 39 GLN CG . 11061 1 432 . 1 1 39 39 GLN N N 15 125.971 0.3 . 1 . . . . 39 GLN N . 11061 1 433 . 1 1 39 39 GLN NE2 N 15 111.415 0.3 . 1 . . . . 39 GLN NE2 . 11061 1 434 . 1 1 40 40 SER H H 1 8.643 0.03 . 1 . . . . 40 SER H . 11061 1 435 . 1 1 40 40 SER HA H 1 4.760 0.03 . 1 . . . . 40 SER HA . 11061 1 436 . 1 1 40 40 SER HB2 H 1 3.825 0.03 . 2 . . . . 40 SER HB2 . 11061 1 437 . 1 1 40 40 SER HB3 H 1 4.034 0.03 . 2 . . . . 40 SER HB3 . 11061 1 438 . 1 1 40 40 SER C C 13 175.209 0.3 . 1 . . . . 40 SER C . 11061 1 439 . 1 1 40 40 SER CA C 13 56.817 0.3 . 1 . . . . 40 SER CA . 11061 1 440 . 1 1 40 40 SER CB C 13 65.450 0.3 . 1 . . . . 40 SER CB . 11061 1 441 . 1 1 40 40 SER N N 15 120.103 0.3 . 1 . . . . 40 SER N . 11061 1 442 . 1 1 41 41 LYS H H 1 8.958 0.03 . 1 . . . . 41 LYS H . 11061 1 443 . 1 1 41 41 LYS HA H 1 4.128 0.03 . 1 . . . . 41 LYS HA . 11061 1 444 . 1 1 41 41 LYS HB2 H 1 1.868 0.03 . 2 . . . . 41 LYS HB2 . 11061 1 445 . 1 1 41 41 LYS HB3 H 1 1.868 0.03 . 2 . . . . 41 LYS HB3 . 11061 1 446 . 1 1 41 41 LYS HD2 H 1 1.718 0.03 . 1 . . . . 41 LYS HD2 . 11061 1 447 . 1 1 41 41 LYS HD3 H 1 1.718 0.03 . 1 . . . . 41 LYS HD3 . 11061 1 448 . 1 1 41 41 LYS HE2 H 1 3.031 0.03 . 1 . . . . 41 LYS HE2 . 11061 1 449 . 1 1 41 41 LYS HE3 H 1 3.031 0.03 . 1 . . . . 41 LYS HE3 . 11061 1 450 . 1 1 41 41 LYS HG2 H 1 1.447 0.03 . 2 . . . . 41 LYS HG2 . 11061 1 451 . 1 1 41 41 LYS HG3 H 1 1.521 0.03 . 2 . . . . 41 LYS HG3 . 11061 1 452 . 1 1 41 41 LYS C C 13 177.901 0.3 . 1 . . . . 41 LYS C . 11061 1 453 . 1 1 41 41 LYS CA C 13 58.701 0.3 . 1 . . . . 41 LYS CA . 11061 1 454 . 1 1 41 41 LYS CB C 13 32.145 0.3 . 1 . . . . 41 LYS CB . 11061 1 455 . 1 1 41 41 LYS CD C 13 29.453 0.3 . 1 . . . . 41 LYS CD . 11061 1 456 . 1 1 41 41 LYS CE C 13 42.183 0.3 . 1 . . . . 41 LYS CE . 11061 1 457 . 1 1 41 41 LYS CG C 13 24.971 0.3 . 1 . . . . 41 LYS CG . 11061 1 458 . 1 1 41 41 LYS N N 15 123.217 0.3 . 1 . . . . 41 LYS N . 11061 1 459 . 1 1 42 42 GLY HA2 H 1 4.100 0.03 . 2 . . . . 42 GLY HA2 . 11061 1 460 . 1 1 42 42 GLY HA3 H 1 4.025 0.03 . 2 . . . . 42 GLY HA3 . 11061 1 461 . 1 1 42 42 GLY C C 13 174.758 0.3 . 1 . . . . 42 GLY C . 11061 1 462 . 1 1 42 42 GLY CA C 13 45.495 0.3 . 1 . . . . 42 GLY CA . 11061 1 463 . 1 1 43 43 GLY H H 1 7.895 0.03 . 1 . . . . 43 GLY H . 11061 1 464 . 1 1 43 43 GLY HA2 H 1 3.967 0.03 . 2 . . . . 43 GLY HA2 . 11061 1 465 . 1 1 43 43 GLY HA3 H 1 4.075 0.03 . 2 . . . . 43 GLY HA3 . 11061 1 466 . 1 1 43 43 GLY C C 13 173.930 0.3 . 1 . . . . 43 GLY C . 11061 1 467 . 1 1 43 43 GLY CA C 13 44.830 0.3 . 1 . . . . 43 GLY CA . 11061 1 468 . 1 1 43 43 GLY N N 15 107.907 0.3 . 1 . . . . 43 GLY N . 11061 1 469 . 1 1 44 44 GLN H H 1 8.086 0.03 . 1 . . . . 44 GLN H . 11061 1 470 . 1 1 44 44 GLN HA H 1 4.379 0.03 . 1 . . . . 44 GLN HA . 11061 1 471 . 1 1 44 44 GLN HB2 H 1 2.058 0.03 . 2 . . . . 44 GLN HB2 . 11061 1 472 . 1 1 44 44 GLN HB3 H 1 1.996 0.03 . 2 . . . . 44 GLN HB3 . 11061 1 473 . 1 1 44 44 GLN HE21 H 1 7.568 0.03 . 2 . . . . 44 GLN HE21 . 11061 1 474 . 1 1 44 44 GLN HE22 H 1 6.849 0.03 . 2 . . . . 44 GLN HE22 . 11061 1 475 . 1 1 44 44 GLN HG2 H 1 2.376 0.03 . 1 . . . . 44 GLN HG2 . 11061 1 476 . 1 1 44 44 GLN HG3 H 1 2.376 0.03 . 1 . . . . 44 GLN HG3 . 11061 1 477 . 1 1 44 44 GLN C C 13 175.582 0.3 . 1 . . . . 44 GLN C . 11061 1 478 . 1 1 44 44 GLN CA C 13 56.056 0.3 . 1 . . . . 44 GLN CA . 11061 1 479 . 1 1 44 44 GLN CB C 13 29.539 0.3 . 1 . . . . 44 GLN CB . 11061 1 480 . 1 1 44 44 GLN CG C 13 34.164 0.3 . 1 . . . . 44 GLN CG . 11061 1 481 . 1 1 44 44 GLN N N 15 120.093 0.3 . 1 . . . . 44 GLN N . 11061 1 482 . 1 1 44 44 GLN NE2 N 15 112.486 0.3 . 1 . . . . 44 GLN NE2 . 11061 1 483 . 1 1 45 45 ALA H H 1 8.730 0.03 . 1 . . . . 45 ALA H . 11061 1 484 . 1 1 45 45 ALA HA H 1 4.968 0.03 . 1 . . . . 45 ALA HA . 11061 1 485 . 1 1 45 45 ALA HB1 H 1 1.329 0.03 . 1 . . . . 45 ALA MB . 11061 1 486 . 1 1 45 45 ALA HB2 H 1 1.329 0.03 . 1 . . . . 45 ALA MB . 11061 1 487 . 1 1 45 45 ALA HB3 H 1 1.329 0.03 . 1 . . . . 45 ALA MB . 11061 1 488 . 1 1 45 45 ALA C C 13 177.053 0.3 . 1 . . . . 45 ALA C . 11061 1 489 . 1 1 45 45 ALA CA C 13 51.926 0.3 . 1 . . . . 45 ALA CA . 11061 1 490 . 1 1 45 45 ALA CB C 13 20.987 0.3 . 1 . . . . 45 ALA CB . 11061 1 491 . 1 1 45 45 ALA N N 15 127.317 0.3 . 1 . . . . 45 ALA N . 11061 1 492 . 1 1 46 46 GLN H H 1 8.524 0.03 . 1 . . . . 46 GLN H . 11061 1 493 . 1 1 46 46 GLN HA H 1 4.672 0.03 . 1 . . . . 46 GLN HA . 11061 1 494 . 1 1 46 46 GLN HB2 H 1 2.000 0.03 . 2 . . . . 46 GLN HB2 . 11061 1 495 . 1 1 46 46 GLN HB3 H 1 2.118 0.03 . 2 . . . . 46 GLN HB3 . 11061 1 496 . 1 1 46 46 GLN HE21 H 1 7.492 0.03 . 2 . . . . 46 GLN HE21 . 11061 1 497 . 1 1 46 46 GLN HE22 H 1 6.840 0.03 . 2 . . . . 46 GLN HE22 . 11061 1 498 . 1 1 46 46 GLN HG2 H 1 2.369 0.03 . 1 . . . . 46 GLN HG2 . 11061 1 499 . 1 1 46 46 GLN HG3 H 1 2.369 0.03 . 1 . . . . 46 GLN HG3 . 11061 1 500 . 1 1 46 46 GLN C C 13 174.518 0.3 . 1 . . . . 46 GLN C . 11061 1 501 . 1 1 46 46 GLN CA C 13 55.165 0.3 . 1 . . . . 46 GLN CA . 11061 1 502 . 1 1 46 46 GLN CB C 13 31.891 0.3 . 1 . . . . 46 GLN CB . 11061 1 503 . 1 1 46 46 GLN CG C 13 33.922 0.3 . 1 . . . . 46 GLN CG . 11061 1 504 . 1 1 46 46 GLN N N 15 120.239 0.3 . 1 . . . . 46 GLN N . 11061 1 505 . 1 1 46 46 GLN NE2 N 15 111.930 0.3 . 1 . . . . 46 GLN NE2 . 11061 1 506 . 1 1 47 47 ALA H H 1 8.880 0.03 . 1 . . . . 47 ALA H . 11061 1 507 . 1 1 47 47 ALA HA H 1 5.831 0.03 . 1 . . . . 47 ALA HA . 11061 1 508 . 1 1 47 47 ALA HB1 H 1 1.425 0.03 . 1 . . . . 47 ALA MB . 11061 1 509 . 1 1 47 47 ALA HB2 H 1 1.425 0.03 . 1 . . . . 47 ALA MB . 11061 1 510 . 1 1 47 47 ALA HB3 H 1 1.425 0.03 . 1 . . . . 47 ALA MB . 11061 1 511 . 1 1 47 47 ALA C C 13 177.335 0.3 . 1 . . . . 47 ALA C . 11061 1 512 . 1 1 47 47 ALA CA C 13 51.248 0.3 . 1 . . . . 47 ALA CA . 11061 1 513 . 1 1 47 47 ALA CB C 13 22.009 0.3 . 1 . . . . 47 ALA CB . 11061 1 514 . 1 1 47 47 ALA N N 15 127.774 0.3 . 1 . . . . 47 ALA N . 11061 1 515 . 1 1 48 48 THR H H 1 8.908 0.03 . 1 . . . . 48 THR H . 11061 1 516 . 1 1 48 48 THR HA H 1 4.749 0.03 . 1 . . . . 48 THR HA . 11061 1 517 . 1 1 48 48 THR HB H 1 4.276 0.03 . 1 . . . . 48 THR HB . 11061 1 518 . 1 1 48 48 THR HG21 H 1 1.379 0.03 . 1 . . . . 48 THR MG . 11061 1 519 . 1 1 48 48 THR HG22 H 1 1.379 0.03 . 1 . . . . 48 THR MG . 11061 1 520 . 1 1 48 48 THR HG23 H 1 1.379 0.03 . 1 . . . . 48 THR MG . 11061 1 521 . 1 1 48 48 THR C C 13 172.515 0.3 . 1 . . . . 48 THR C . 11061 1 522 . 1 1 48 48 THR CA C 13 61.084 0.3 . 1 . . . . 48 THR CA . 11061 1 523 . 1 1 48 48 THR CB C 13 71.819 0.3 . 1 . . . . 48 THR CB . 11061 1 524 . 1 1 48 48 THR CG2 C 13 21.872 0.3 . 1 . . . . 48 THR CG2 . 11061 1 525 . 1 1 48 48 THR N N 15 115.805 0.3 . 1 . . . . 48 THR N . 11061 1 526 . 1 1 49 49 GLN H H 1 8.603 0.03 . 1 . . . . 49 GLN H . 11061 1 527 . 1 1 49 49 GLN HA H 1 5.621 0.03 . 1 . . . . 49 GLN HA . 11061 1 528 . 1 1 49 49 GLN HB2 H 1 2.323 0.03 . 2 . . . . 49 GLN HB2 . 11061 1 529 . 1 1 49 49 GLN HB3 H 1 2.261 0.03 . 2 . . . . 49 GLN HB3 . 11061 1 530 . 1 1 49 49 GLN HE21 H 1 6.836 0.03 . 2 . . . . 49 GLN HE21 . 11061 1 531 . 1 1 49 49 GLN HE22 H 1 6.053 0.03 . 2 . . . . 49 GLN HE22 . 11061 1 532 . 1 1 49 49 GLN HG2 H 1 2.258 0.03 . 2 . . . . 49 GLN HG2 . 11061 1 533 . 1 1 49 49 GLN HG3 H 1 2.115 0.03 . 2 . . . . 49 GLN HG3 . 11061 1 534 . 1 1 49 49 GLN C C 13 174.471 0.3 . 1 . . . . 49 GLN C . 11061 1 535 . 1 1 49 49 GLN CA C 13 54.165 0.3 . 1 . . . . 49 GLN CA . 11061 1 536 . 1 1 49 49 GLN CB C 13 33.340 0.3 . 1 . . . . 49 GLN CB . 11061 1 537 . 1 1 49 49 GLN CG C 13 33.076 0.3 . 1 . . . . 49 GLN CG . 11061 1 538 . 1 1 49 49 GLN N N 15 119.641 0.3 . 1 . . . . 49 GLN N . 11061 1 539 . 1 1 49 49 GLN NE2 N 15 110.611 0.3 . 1 . . . . 49 GLN NE2 . 11061 1 540 . 1 1 50 50 GLY H H 1 7.487 0.03 . 1 . . . . 50 GLY H . 11061 1 541 . 1 1 50 50 GLY HA2 H 1 4.245 0.03 . 2 . . . . 50 GLY HA2 . 11061 1 542 . 1 1 50 50 GLY HA3 H 1 3.974 0.03 . 2 . . . . 50 GLY HA3 . 11061 1 543 . 1 1 50 50 GLY C C 13 170.023 0.3 . 1 . . . . 50 GLY C . 11061 1 544 . 1 1 50 50 GLY CA C 13 45.620 0.3 . 1 . . . . 50 GLY CA . 11061 1 545 . 1 1 50 50 GLY N N 15 107.977 0.3 . 1 . . . . 50 GLY N . 11061 1 546 . 1 1 51 51 TYR H H 1 8.592 0.03 . 1 . . . . 51 TYR H . 11061 1 547 . 1 1 51 51 TYR HA H 1 5.978 0.03 . 1 . . . . 51 TYR HA . 11061 1 548 . 1 1 51 51 TYR HB2 H 1 2.890 0.03 . 2 . . . . 51 TYR HB2 . 11061 1 549 . 1 1 51 51 TYR HB3 H 1 3.232 0.03 . 2 . . . . 51 TYR HB3 . 11061 1 550 . 1 1 51 51 TYR HD1 H 1 6.995 0.03 . 1 . . . . 51 TYR HD1 . 11061 1 551 . 1 1 51 51 TYR HD2 H 1 6.995 0.03 . 1 . . . . 51 TYR HD2 . 11061 1 552 . 1 1 51 51 TYR HE1 H 1 6.799 0.03 . 1 . . . . 51 TYR HE1 . 11061 1 553 . 1 1 51 51 TYR HE2 H 1 6.799 0.03 . 1 . . . . 51 TYR HE2 . 11061 1 554 . 1 1 51 51 TYR C C 13 173.431 0.3 . 1 . . . . 51 TYR C . 11061 1 555 . 1 1 51 51 TYR CA C 13 56.031 0.3 . 1 . . . . 51 TYR CA . 11061 1 556 . 1 1 51 51 TYR CB C 13 43.659 0.3 . 1 . . . . 51 TYR CB . 11061 1 557 . 1 1 51 51 TYR CD1 C 13 133.215 0.3 . 1 . . . . 51 TYR CD1 . 11061 1 558 . 1 1 51 51 TYR CD2 C 13 133.215 0.3 . 1 . . . . 51 TYR CD2 . 11061 1 559 . 1 1 51 51 TYR CE1 C 13 118.272 0.3 . 1 . . . . 51 TYR CE1 . 11061 1 560 . 1 1 51 51 TYR CE2 C 13 118.272 0.3 . 1 . . . . 51 TYR CE2 . 11061 1 561 . 1 1 51 51 TYR N N 15 116.706 0.3 . 1 . . . . 51 TYR N . 11061 1 562 . 1 1 52 52 LEU H H 1 9.522 0.03 . 1 . . . . 52 LEU H . 11061 1 563 . 1 1 52 52 LEU HA H 1 4.639 0.03 . 1 . . . . 52 LEU HA . 11061 1 564 . 1 1 52 52 LEU HB2 H 1 1.571 0.03 . 1 . . . . 52 LEU HB2 . 11061 1 565 . 1 1 52 52 LEU HB3 H 1 1.571 0.03 . 1 . . . . 52 LEU HB3 . 11061 1 566 . 1 1 52 52 LEU HD11 H 1 0.951 0.03 . 1 . . . . 52 LEU MD1 . 11061 1 567 . 1 1 52 52 LEU HD12 H 1 0.951 0.03 . 1 . . . . 52 LEU MD1 . 11061 1 568 . 1 1 52 52 LEU HD13 H 1 0.951 0.03 . 1 . . . . 52 LEU MD1 . 11061 1 569 . 1 1 52 52 LEU HD21 H 1 0.848 0.03 . 1 . . . . 52 LEU MD2 . 11061 1 570 . 1 1 52 52 LEU HD22 H 1 0.848 0.03 . 1 . . . . 52 LEU MD2 . 11061 1 571 . 1 1 52 52 LEU HD23 H 1 0.848 0.03 . 1 . . . . 52 LEU MD2 . 11061 1 572 . 1 1 52 52 LEU HG H 1 1.679 0.03 . 1 . . . . 52 LEU HG . 11061 1 573 . 1 1 52 52 LEU C C 13 173.861 0.3 . 1 . . . . 52 LEU C . 11061 1 574 . 1 1 52 52 LEU CA C 13 53.781 0.3 . 1 . . . . 52 LEU CA . 11061 1 575 . 1 1 52 52 LEU CB C 13 47.763 0.3 . 1 . . . . 52 LEU CB . 11061 1 576 . 1 1 52 52 LEU CD1 C 13 24.441 0.3 . 2 . . . . 52 LEU CD1 . 11061 1 577 . 1 1 52 52 LEU CD2 C 13 27.003 0.3 . 2 . . . . 52 LEU CD2 . 11061 1 578 . 1 1 52 52 LEU CG C 13 27.516 0.3 . 1 . . . . 52 LEU CG . 11061 1 579 . 1 1 52 52 LEU N N 15 122.915 0.3 . 1 . . . . 52 LEU N . 11061 1 580 . 1 1 53 53 GLU H H 1 8.112 0.03 . 1 . . . . 53 GLU H . 11061 1 581 . 1 1 53 53 GLU HA H 1 5.076 0.03 . 1 . . . . 53 GLU HA . 11061 1 582 . 1 1 53 53 GLU HB2 H 1 1.574 0.03 . 2 . . . . 53 GLU HB2 . 11061 1 583 . 1 1 53 53 GLU HB3 H 1 1.347 0.03 . 2 . . . . 53 GLU HB3 . 11061 1 584 . 1 1 53 53 GLU HG2 H 1 2.011 0.03 . 2 . . . . 53 GLU HG2 . 11061 1 585 . 1 1 53 53 GLU HG3 H 1 1.810 0.03 . 2 . . . . 53 GLU HG3 . 11061 1 586 . 1 1 53 53 GLU C C 13 175.710 0.3 . 1 . . . . 53 GLU C . 11061 1 587 . 1 1 53 53 GLU CA C 13 53.461 0.3 . 1 . . . . 53 GLU CA . 11061 1 588 . 1 1 53 53 GLU CB C 13 34.026 0.3 . 1 . . . . 53 GLU CB . 11061 1 589 . 1 1 53 53 GLU CG C 13 35.459 0.3 . 1 . . . . 53 GLU CG . 11061 1 590 . 1 1 53 53 GLU N N 15 117.384 0.3 . 1 . . . . 53 GLU N . 11061 1 591 . 1 1 54 54 ASP H H 1 7.361 0.03 . 1 . . . . 54 ASP H . 11061 1 592 . 1 1 54 54 ASP HA H 1 4.424 0.03 . 1 . . . . 54 ASP HA . 11061 1 593 . 1 1 54 54 ASP HB2 H 1 2.447 0.03 . 2 . . . . 54 ASP HB2 . 11061 1 594 . 1 1 54 54 ASP HB3 H 1 2.747 0.03 . 2 . . . . 54 ASP HB3 . 11061 1 595 . 1 1 54 54 ASP CA C 13 55.314 0.3 . 1 . . . . 54 ASP CA . 11061 1 596 . 1 1 54 54 ASP CB C 13 42.067 0.3 . 1 . . . . 54 ASP CB . 11061 1 597 . 1 1 54 54 ASP N N 15 120.046 0.3 . 1 . . . . 54 ASP N . 11061 1 598 . 1 1 55 55 GLU H H 1 8.225 0.03 . 1 . . . . 55 GLU H . 11061 1 599 . 1 1 55 55 GLU HA H 1 4.302 0.03 . 1 . . . . 55 GLU HA . 11061 1 600 . 1 1 55 55 GLU HB2 H 1 2.036 0.03 . 2 . . . . 55 GLU HB2 . 11061 1 601 . 1 1 55 55 GLU HB3 H 1 1.979 0.03 . 2 . . . . 55 GLU HB3 . 11061 1 602 . 1 1 55 55 GLU HG2 H 1 2.393 0.03 . 2 . . . . 55 GLU HG2 . 11061 1 603 . 1 1 55 55 GLU HG3 H 1 2.239 0.03 . 2 . . . . 55 GLU HG3 . 11061 1 604 . 1 1 55 55 GLU CA C 13 56.105 0.3 . 1 . . . . 55 GLU CA . 11061 1 605 . 1 1 55 55 GLU CB C 13 31.191 0.3 . 1 . . . . 55 GLU CB . 11061 1 606 . 1 1 55 55 GLU CG C 13 36.357 0.3 . 1 . . . . 55 GLU CG . 11061 1 607 . 1 1 55 55 GLU N N 15 120.774 0.3 . 1 . . . . 55 GLU N . 11061 1 608 . 1 1 56 56 HIS HA H 1 4.311 0.03 . 1 . . . . 56 HIS HA . 11061 1 609 . 1 1 56 56 HIS HB2 H 1 3.152 0.03 . 2 . . . . 56 HIS HB2 . 11061 1 610 . 1 1 56 56 HIS HB3 H 1 3.103 0.03 . 2 . . . . 56 HIS HB3 . 11061 1 611 . 1 1 56 56 HIS HD2 H 1 6.981 0.03 . 1 . . . . 56 HIS HD2 . 11061 1 612 . 1 1 56 56 HIS HE1 H 1 7.719 0.03 . 1 . . . . 56 HIS HE1 . 11061 1 613 . 1 1 56 56 HIS C C 13 176.136 0.3 . 1 . . . . 56 HIS C . 11061 1 614 . 1 1 56 56 HIS CA C 13 58.066 0.3 . 1 . . . . 56 HIS CA . 11061 1 615 . 1 1 56 56 HIS CB C 13 30.268 0.3 . 1 . . . . 56 HIS CB . 11061 1 616 . 1 1 56 56 HIS CD2 C 13 119.382 0.3 . 1 . . . . 56 HIS CD2 . 11061 1 617 . 1 1 56 56 HIS CE1 C 13 138.566 0.3 . 1 . . . . 56 HIS CE1 . 11061 1 618 . 1 1 57 57 ALA H H 1 8.645 0.03 . 1 . . . . 57 ALA H . 11061 1 619 . 1 1 57 57 ALA HA H 1 4.149 0.03 . 1 . . . . 57 ALA HA . 11061 1 620 . 1 1 57 57 ALA HB1 H 1 1.305 0.03 . 1 . . . . 57 ALA MB . 11061 1 621 . 1 1 57 57 ALA HB2 H 1 1.305 0.03 . 1 . . . . 57 ALA MB . 11061 1 622 . 1 1 57 57 ALA HB3 H 1 1.305 0.03 . 1 . . . . 57 ALA MB . 11061 1 623 . 1 1 57 57 ALA C C 13 177.149 0.3 . 1 . . . . 57 ALA C . 11061 1 624 . 1 1 57 57 ALA CA C 13 53.068 0.3 . 1 . . . . 57 ALA CA . 11061 1 625 . 1 1 57 57 ALA CB C 13 17.920 0.3 . 1 . . . . 57 ALA CB . 11061 1 626 . 1 1 57 57 ALA N N 15 124.531 0.3 . 1 . . . . 57 ALA N . 11061 1 627 . 1 1 58 58 GLY H H 1 7.802 0.03 . 1 . . . . 58 GLY H . 11061 1 628 . 1 1 58 58 GLY HA2 H 1 4.309 0.03 . 2 . . . . 58 GLY HA2 . 11061 1 629 . 1 1 58 58 GLY HA3 H 1 3.660 0.03 . 2 . . . . 58 GLY HA3 . 11061 1 630 . 1 1 58 58 GLY C C 13 173.481 0.3 . 1 . . . . 58 GLY C . 11061 1 631 . 1 1 58 58 GLY CA C 13 45.196 0.3 . 1 . . . . 58 GLY CA . 11061 1 632 . 1 1 58 58 GLY N N 15 106.999 0.3 . 1 . . . . 58 GLY N . 11061 1 633 . 1 1 59 59 ALA H H 1 8.426 0.03 . 1 . . . . 59 ALA H . 11061 1 634 . 1 1 59 59 ALA HA H 1 4.241 0.03 . 1 . . . . 59 ALA HA . 11061 1 635 . 1 1 59 59 ALA HB1 H 1 1.186 0.03 . 1 . . . . 59 ALA MB . 11061 1 636 . 1 1 59 59 ALA HB2 H 1 1.186 0.03 . 1 . . . . 59 ALA MB . 11061 1 637 . 1 1 59 59 ALA HB3 H 1 1.186 0.03 . 1 . . . . 59 ALA MB . 11061 1 638 . 1 1 59 59 ALA C C 13 177.774 0.3 . 1 . . . . 59 ALA C . 11061 1 639 . 1 1 59 59 ALA CA C 13 52.203 0.3 . 1 . . . . 59 ALA CA . 11061 1 640 . 1 1 59 59 ALA CB C 13 19.327 0.3 . 1 . . . . 59 ALA CB . 11061 1 641 . 1 1 59 59 ALA N N 15 127.619 0.3 . 1 . . . . 59 ALA N . 11061 1 642 . 1 1 60 60 HIS H H 1 8.990 0.03 . 1 . . . . 60 HIS H . 11061 1 643 . 1 1 60 60 HIS HA H 1 4.826 0.03 . 1 . . . . 60 HIS HA . 11061 1 644 . 1 1 60 60 HIS HB2 H 1 2.850 0.03 . 2 . . . . 60 HIS HB2 . 11061 1 645 . 1 1 60 60 HIS HB3 H 1 3.660 0.03 . 2 . . . . 60 HIS HB3 . 11061 1 646 . 1 1 60 60 HIS HD2 H 1 7.007 0.03 . 1 . . . . 60 HIS HD2 . 11061 1 647 . 1 1 60 60 HIS HE1 H 1 8.128 0.03 . 1 . . . . 60 HIS HE1 . 11061 1 648 . 1 1 60 60 HIS C C 13 176.945 0.3 . 1 . . . . 60 HIS C . 11061 1 649 . 1 1 60 60 HIS CA C 13 54.366 0.3 . 1 . . . . 60 HIS CA . 11061 1 650 . 1 1 60 60 HIS CB C 13 32.475 0.3 . 1 . . . . 60 HIS CB . 11061 1 651 . 1 1 60 60 HIS CD2 C 13 116.406 0.3 . 1 . . . . 60 HIS CD2 . 11061 1 652 . 1 1 60 60 HIS CE1 C 13 140.271 0.3 . 1 . . . . 60 HIS CE1 . 11061 1 653 . 1 1 60 60 HIS N N 15 122.558 0.3 . 1 . . . . 60 HIS N . 11061 1 654 . 1 1 61 61 ALA H H 1 9.904 0.03 . 1 . . . . 61 ALA H . 11061 1 655 . 1 1 61 61 ALA HA H 1 3.755 0.03 . 1 . . . . 61 ALA HA . 11061 1 656 . 1 1 61 61 ALA HB1 H 1 0.932 0.03 . 1 . . . . 61 ALA MB . 11061 1 657 . 1 1 61 61 ALA HB2 H 1 0.932 0.03 . 1 . . . . 61 ALA MB . 11061 1 658 . 1 1 61 61 ALA HB3 H 1 0.932 0.03 . 1 . . . . 61 ALA MB . 11061 1 659 . 1 1 61 61 ALA C C 13 177.913 0.3 . 1 . . . . 61 ALA C . 11061 1 660 . 1 1 61 61 ALA CA C 13 55.436 0.3 . 1 . . . . 61 ALA CA . 11061 1 661 . 1 1 61 61 ALA CB C 13 18.639 0.3 . 1 . . . . 61 ALA CB . 11061 1 662 . 1 1 62 62 GLU H H 1 11.932 0.03 . 1 . . . . 62 GLU H . 11061 1 663 . 1 1 62 62 GLU HA H 1 3.214 0.03 . 1 . . . . 62 GLU HA . 11061 1 664 . 1 1 62 62 GLU HB2 H 1 3.143 0.03 . 2 . . . . 62 GLU HB2 . 11061 1 665 . 1 1 62 62 GLU HB3 H 1 2.057 0.03 . 2 . . . . 62 GLU HB3 . 11061 1 666 . 1 1 62 62 GLU HG2 H 1 2.481 0.03 . 2 . . . . 62 GLU HG2 . 11061 1 667 . 1 1 62 62 GLU HG3 H 1 1.879 0.03 . 2 . . . . 62 GLU HG3 . 11061 1 668 . 1 1 62 62 GLU C C 13 178.557 0.3 . 1 . . . . 62 GLU C . 11061 1 669 . 1 1 62 62 GLU CA C 13 60.879 0.3 . 1 . . . . 62 GLU CA . 11061 1 670 . 1 1 62 62 GLU CB C 13 27.772 0.3 . 1 . . . . 62 GLU CB . 11061 1 671 . 1 1 62 62 GLU CG C 13 38.534 0.3 . 1 . . . . 62 GLU CG . 11061 1 672 . 1 1 62 62 GLU N N 15 117.961 0.3 . 1 . . . . 62 GLU N . 11061 1 673 . 1 1 63 63 GLU H H 1 6.722 0.03 . 1 . . . . 63 GLU H . 11061 1 674 . 1 1 63 63 GLU HA H 1 4.162 0.03 . 1 . . . . 63 GLU HA . 11061 1 675 . 1 1 63 63 GLU HB2 H 1 2.201 0.03 . 2 . . . . 63 GLU HB2 . 11061 1 676 . 1 1 63 63 GLU HB3 H 1 2.145 0.03 . 2 . . . . 63 GLU HB3 . 11061 1 677 . 1 1 63 63 GLU HG2 H 1 2.660 0.03 . 2 . . . . 63 GLU HG2 . 11061 1 678 . 1 1 63 63 GLU HG3 H 1 2.099 0.03 . 2 . . . . 63 GLU HG3 . 11061 1 679 . 1 1 63 63 GLU C C 13 178.633 0.3 . 1 . . . . 63 GLU C . 11061 1 680 . 1 1 63 63 GLU CA C 13 60.282 0.3 . 1 . . . . 63 GLU CA . 11061 1 681 . 1 1 63 63 GLU CB C 13 29.950 0.3 . 1 . . . . 63 GLU CB . 11061 1 682 . 1 1 63 63 GLU CG C 13 37.637 0.3 . 1 . . . . 63 GLU CG . 11061 1 683 . 1 1 63 63 GLU N N 15 114.449 0.3 . 1 . . . . 63 GLU N . 11061 1 684 . 1 1 64 64 ALA H H 1 8.492 0.03 . 1 . . . . 64 ALA H . 11061 1 685 . 1 1 64 64 ALA HA H 1 4.076 0.03 . 1 . . . . 64 ALA HA . 11061 1 686 . 1 1 64 64 ALA HB1 H 1 1.449 0.03 . 1 . . . . 64 ALA MB . 11061 1 687 . 1 1 64 64 ALA HB2 H 1 1.449 0.03 . 1 . . . . 64 ALA MB . 11061 1 688 . 1 1 64 64 ALA HB3 H 1 1.449 0.03 . 1 . . . . 64 ALA MB . 11061 1 689 . 1 1 64 64 ALA C C 13 180.787 0.3 . 1 . . . . 64 ALA C . 11061 1 690 . 1 1 64 64 ALA CA C 13 55.190 0.3 . 1 . . . . 64 ALA CA . 11061 1 691 . 1 1 64 64 ALA CB C 13 18.146 0.3 . 1 . . . . 64 ALA CB . 11061 1 692 . 1 1 64 64 ALA N N 15 122.118 0.3 . 1 . . . . 64 ALA N . 11061 1 693 . 1 1 65 65 PHE H H 1 8.597 0.03 . 1 . . . . 65 PHE H . 11061 1 694 . 1 1 65 65 PHE HA H 1 3.473 0.03 . 1 . . . . 65 PHE HA . 11061 1 695 . 1 1 65 65 PHE HB2 H 1 2.928 0.03 . 2 . . . . 65 PHE HB2 . 11061 1 696 . 1 1 65 65 PHE HB3 H 1 2.448 0.03 . 2 . . . . 65 PHE HB3 . 11061 1 697 . 1 1 65 65 PHE HD1 H 1 5.941 0.03 . 1 . . . . 65 PHE HD1 . 11061 1 698 . 1 1 65 65 PHE HD2 H 1 5.941 0.03 . 1 . . . . 65 PHE HD2 . 11061 1 699 . 1 1 65 65 PHE HE1 H 1 6.590 0.03 . 1 . . . . 65 PHE HE1 . 11061 1 700 . 1 1 65 65 PHE HE2 H 1 6.590 0.03 . 1 . . . . 65 PHE HE2 . 11061 1 701 . 1 1 65 65 PHE HZ H 1 6.986 0.03 . 1 . . . . 65 PHE HZ . 11061 1 702 . 1 1 65 65 PHE C C 13 176.762 0.3 . 1 . . . . 65 PHE C . 11061 1 703 . 1 1 65 65 PHE CA C 13 62.850 0.3 . 1 . . . . 65 PHE CA . 11061 1 704 . 1 1 65 65 PHE CB C 13 38.534 0.3 . 1 . . . . 65 PHE CB . 11061 1 705 . 1 1 65 65 PHE CZ C 13 128.905 0.3 . 1 . . . . 65 PHE CZ . 11061 1 706 . 1 1 65 65 PHE N N 15 120.372 0.3 . 1 . . . . 65 PHE N . 11061 1 707 . 1 1 66 66 PHE H H 1 7.055 0.03 . 1 . . . . 66 PHE H . 11061 1 708 . 1 1 66 66 PHE HA H 1 4.224 0.03 . 1 . . . . 66 PHE HA . 11061 1 709 . 1 1 66 66 PHE HB2 H 1 3.582 0.03 . 2 . . . . 66 PHE HB2 . 11061 1 710 . 1 1 66 66 PHE HB3 H 1 2.763 0.03 . 2 . . . . 66 PHE HB3 . 11061 1 711 . 1 1 66 66 PHE HD1 H 1 7.797 0.03 . 1 . . . . 66 PHE HD1 . 11061 1 712 . 1 1 66 66 PHE HD2 H 1 7.797 0.03 . 1 . . . . 66 PHE HD2 . 11061 1 713 . 1 1 66 66 PHE HE1 H 1 7.486 0.03 . 1 . . . . 66 PHE HE1 . 11061 1 714 . 1 1 66 66 PHE HE2 H 1 7.486 0.03 . 1 . . . . 66 PHE HE2 . 11061 1 715 . 1 1 66 66 PHE HZ H 1 6.977 0.03 . 1 . . . . 66 PHE HZ . 11061 1 716 . 1 1 66 66 PHE C C 13 175.081 0.3 . 1 . . . . 66 PHE C . 11061 1 717 . 1 1 66 66 PHE CA C 13 61.084 0.3 . 1 . . . . 66 PHE CA . 11061 1 718 . 1 1 66 66 PHE CB C 13 39.303 0.3 . 1 . . . . 66 PHE CB . 11061 1 719 . 1 1 66 66 PHE CD1 C 13 132.586 0.3 . 1 . . . . 66 PHE CD1 . 11061 1 720 . 1 1 66 66 PHE CD2 C 13 132.586 0.3 . 1 . . . . 66 PHE CD2 . 11061 1 721 . 1 1 66 66 PHE CE1 C 13 131.100 0.3 . 1 . . . . 66 PHE CE1 . 11061 1 722 . 1 1 66 66 PHE CE2 C 13 131.100 0.3 . 1 . . . . 66 PHE CE2 . 11061 1 723 . 1 1 66 66 PHE CZ C 13 128.218 0.3 . 1 . . . . 66 PHE CZ . 11061 1 724 . 1 1 66 66 PHE N N 15 117.572 0.3 . 1 . . . . 66 PHE N . 11061 1 725 . 1 1 67 67 ASN H H 1 8.258 0.03 . 1 . . . . 67 ASN H . 11061 1 726 . 1 1 67 67 ASN HA H 1 4.668 0.03 . 1 . . . . 67 ASN HA . 11061 1 727 . 1 1 67 67 ASN HB2 H 1 2.868 0.03 . 1 . . . . 67 ASN HB2 . 11061 1 728 . 1 1 67 67 ASN HB3 H 1 2.868 0.03 . 1 . . . . 67 ASN HB3 . 11061 1 729 . 1 1 67 67 ASN HD21 H 1 7.638 0.03 . 2 . . . . 67 ASN HD21 . 11061 1 730 . 1 1 67 67 ASN HD22 H 1 7.309 0.03 . 2 . . . . 67 ASN HD22 . 11061 1 731 . 1 1 67 67 ASN C C 13 177.306 0.3 . 1 . . . . 67 ASN C . 11061 1 732 . 1 1 67 67 ASN CA C 13 54.677 0.3 . 1 . . . . 67 ASN CA . 11061 1 733 . 1 1 67 67 ASN CB C 13 39.014 0.3 . 1 . . . . 67 ASN CB . 11061 1 734 . 1 1 67 67 ASN N N 15 115.352 0.3 . 1 . . . . 67 ASN N . 11061 1 735 . 1 1 67 67 ASN ND2 N 15 111.163 0.3 . 1 . . . . 67 ASN ND2 . 11061 1 736 . 1 1 68 68 THR H H 1 7.996 0.03 . 1 . . . . 68 THR H . 11061 1 737 . 1 1 68 68 THR HA H 1 4.390 0.03 . 1 . . . . 68 THR HA . 11061 1 738 . 1 1 68 68 THR HB H 1 3.956 0.03 . 1 . . . . 68 THR HB . 11061 1 739 . 1 1 68 68 THR HG21 H 1 1.116 0.03 . 1 . . . . 68 THR MG . 11061 1 740 . 1 1 68 68 THR HG22 H 1 1.116 0.03 . 1 . . . . 68 THR MG . 11061 1 741 . 1 1 68 68 THR HG23 H 1 1.116 0.03 . 1 . . . . 68 THR MG . 11061 1 742 . 1 1 68 68 THR C C 13 173.810 0.3 . 1 . . . . 68 THR C . 11061 1 743 . 1 1 68 68 THR CA C 13 63.133 0.3 . 1 . . . . 68 THR CA . 11061 1 744 . 1 1 68 68 THR CB C 13 71.461 0.3 . 1 . . . . 68 THR CB . 11061 1 745 . 1 1 68 68 THR CG2 C 13 21.908 0.3 . 1 . . . . 68 THR CG2 . 11061 1 746 . 1 1 68 68 THR N N 15 107.860 0.3 . 1 . . . . 68 THR N . 11061 1 747 . 1 1 69 69 ILE H H 1 7.224 0.03 . 1 . . . . 69 ILE H . 11061 1 748 . 1 1 69 69 ILE HA H 1 3.902 0.03 . 1 . . . . 69 ILE HA . 11061 1 749 . 1 1 69 69 ILE HB H 1 0.881 0.03 . 1 . . . . 69 ILE HB . 11061 1 750 . 1 1 69 69 ILE HD11 H 1 0.535 0.03 . 1 . . . . 69 ILE MD . 11061 1 751 . 1 1 69 69 ILE HD12 H 1 0.535 0.03 . 1 . . . . 69 ILE MD . 11061 1 752 . 1 1 69 69 ILE HD13 H 1 0.535 0.03 . 1 . . . . 69 ILE MD . 11061 1 753 . 1 1 69 69 ILE HG12 H 1 0.601 0.03 . 2 . . . . 69 ILE HG12 . 11061 1 754 . 1 1 69 69 ILE HG13 H 1 1.222 0.03 . 2 . . . . 69 ILE HG13 . 11061 1 755 . 1 1 69 69 ILE HG21 H 1 0.154 0.03 . 1 . . . . 69 ILE MG . 11061 1 756 . 1 1 69 69 ILE HG22 H 1 0.154 0.03 . 1 . . . . 69 ILE MG . 11061 1 757 . 1 1 69 69 ILE HG23 H 1 0.154 0.03 . 1 . . . . 69 ILE MG . 11061 1 758 . 1 1 69 69 ILE C C 13 176.044 0.3 . 1 . . . . 69 ILE C . 11061 1 759 . 1 1 69 69 ILE CA C 13 60.699 0.3 . 1 . . . . 69 ILE CA . 11061 1 760 . 1 1 69 69 ILE CB C 13 33.997 0.3 . 1 . . . . 69 ILE CB . 11061 1 761 . 1 1 69 69 ILE CD1 C 13 8.499 0.3 . 1 . . . . 69 ILE CD1 . 11061 1 762 . 1 1 69 69 ILE CG1 C 13 27.516 0.3 . 1 . . . . 69 ILE CG1 . 11061 1 763 . 1 1 69 69 ILE CG2 C 13 17.138 0.3 . 1 . . . . 69 ILE CG2 . 11061 1 764 . 1 1 69 69 ILE N N 15 122.895 0.3 . 1 . . . . 69 ILE N . 11061 1 765 . 1 1 70 70 LEU H H 1 6.707 0.03 . 1 . . . . 70 LEU H . 11061 1 766 . 1 1 70 70 LEU HA H 1 4.447 0.03 . 1 . . . . 70 LEU HA . 11061 1 767 . 1 1 70 70 LEU HB2 H 1 1.232 0.03 . 2 . . . . 70 LEU HB2 . 11061 1 768 . 1 1 70 70 LEU HB3 H 1 0.747 0.03 . 2 . . . . 70 LEU HB3 . 11061 1 769 . 1 1 70 70 LEU HD11 H 1 0.847 0.03 . 1 . . . . 70 LEU MD1 . 11061 1 770 . 1 1 70 70 LEU HD12 H 1 0.847 0.03 . 1 . . . . 70 LEU MD1 . 11061 1 771 . 1 1 70 70 LEU HD13 H 1 0.847 0.03 . 1 . . . . 70 LEU MD1 . 11061 1 772 . 1 1 70 70 LEU HD21 H 1 0.890 0.03 . 1 . . . . 70 LEU MD2 . 11061 1 773 . 1 1 70 70 LEU HD22 H 1 0.890 0.03 . 1 . . . . 70 LEU MD2 . 11061 1 774 . 1 1 70 70 LEU HD23 H 1 0.890 0.03 . 1 . . . . 70 LEU MD2 . 11061 1 775 . 1 1 70 70 LEU HG H 1 1.159 0.03 . 1 . . . . 70 LEU HG . 11061 1 776 . 1 1 70 70 LEU C C 13 176.054 0.3 . 1 . . . . 70 LEU C . 11061 1 777 . 1 1 70 70 LEU CA C 13 51.627 0.3 . 1 . . . . 70 LEU CA . 11061 1 778 . 1 1 70 70 LEU CB C 13 43.403 0.3 . 1 . . . . 70 LEU CB . 11061 1 779 . 1 1 70 70 LEU CD1 C 13 25.220 0.3 . 2 . . . . 70 LEU CD1 . 11061 1 780 . 1 1 70 70 LEU CD2 C 13 25.466 0.3 . 2 . . . . 70 LEU CD2 . 11061 1 781 . 1 1 70 70 LEU CG C 13 26.411 0.3 . 1 . . . . 70 LEU CG . 11061 1 782 . 1 1 70 70 LEU N N 15 117.384 0.3 . 1 . . . . 70 LEU N . 11061 1 783 . 1 1 71 71 PRO HA H 1 4.720 0.03 . 1 . . . . 71 PRO HA . 11061 1 784 . 1 1 71 71 PRO HB2 H 1 1.851 0.03 . 2 . . . . 71 PRO HB2 . 11061 1 785 . 1 1 71 71 PRO HB3 H 1 1.992 0.03 . 2 . . . . 71 PRO HB3 . 11061 1 786 . 1 1 71 71 PRO HD2 H 1 3.396 0.03 . 2 . . . . 71 PRO HD2 . 11061 1 787 . 1 1 71 71 PRO HD3 H 1 2.753 0.03 . 2 . . . . 71 PRO HD3 . 11061 1 788 . 1 1 71 71 PRO HG2 H 1 1.674 0.03 . 1 . . . . 71 PRO HG2 . 11061 1 789 . 1 1 71 71 PRO HG3 H 1 1.674 0.03 . 1 . . . . 71 PRO HG3 . 11061 1 790 . 1 1 71 71 PRO C C 13 175.936 0.3 . 1 . . . . 71 PRO C . 11061 1 791 . 1 1 71 71 PRO CA C 13 63.541 0.3 . 1 . . . . 71 PRO CA . 11061 1 792 . 1 1 71 71 PRO CB C 13 32.042 0.3 . 1 . . . . 71 PRO CB . 11061 1 793 . 1 1 71 71 PRO CD C 13 49.488 0.3 . 1 . . . . 71 PRO CD . 11061 1 794 . 1 1 71 71 PRO CG C 13 26.638 0.3 . 1 . . . . 71 PRO CG . 11061 1 795 . 1 1 72 72 ALA H H 1 6.835 0.03 . 1 . . . . 72 ALA H . 11061 1 796 . 1 1 72 72 ALA HA H 1 4.298 0.03 . 1 . . . . 72 ALA HA . 11061 1 797 . 1 1 72 72 ALA HB1 H 1 1.202 0.03 . 1 . . . . 72 ALA MB . 11061 1 798 . 1 1 72 72 ALA HB2 H 1 1.202 0.03 . 1 . . . . 72 ALA MB . 11061 1 799 . 1 1 72 72 ALA HB3 H 1 1.202 0.03 . 1 . . . . 72 ALA MB . 11061 1 800 . 1 1 72 72 ALA C C 13 174.746 0.3 . 1 . . . . 72 ALA C . 11061 1 801 . 1 1 72 72 ALA CA C 13 51.090 0.3 . 1 . . . . 72 ALA CA . 11061 1 802 . 1 1 72 72 ALA CB C 13 21.750 0.3 . 1 . . . . 72 ALA CB . 11061 1 803 . 1 1 72 72 ALA N N 15 119.543 0.3 . 1 . . . . 72 ALA N . 11061 1 804 . 1 1 73 73 PHE H H 1 8.483 0.03 . 1 . . . . 73 PHE H . 11061 1 805 . 1 1 73 73 PHE HA H 1 4.341 0.03 . 1 . . . . 73 PHE HA . 11061 1 806 . 1 1 73 73 PHE HB2 H 1 2.681 0.03 . 2 . . . . 73 PHE HB2 . 11061 1 807 . 1 1 73 73 PHE HB3 H 1 2.530 0.03 . 2 . . . . 73 PHE HB3 . 11061 1 808 . 1 1 73 73 PHE HD1 H 1 6.310 0.03 . 1 . . . . 73 PHE HD1 . 11061 1 809 . 1 1 73 73 PHE HD2 H 1 6.310 0.03 . 1 . . . . 73 PHE HD2 . 11061 1 810 . 1 1 73 73 PHE HE1 H 1 6.960 0.03 . 1 . . . . 73 PHE HE1 . 11061 1 811 . 1 1 73 73 PHE HE2 H 1 6.960 0.03 . 1 . . . . 73 PHE HE2 . 11061 1 812 . 1 1 73 73 PHE HZ H 1 7.069 0.03 . 1 . . . . 73 PHE HZ . 11061 1 813 . 1 1 73 73 PHE C C 13 174.810 0.3 . 1 . . . . 73 PHE C . 11061 1 814 . 1 1 73 73 PHE CA C 13 56.599 0.3 . 1 . . . . 73 PHE CA . 11061 1 815 . 1 1 73 73 PHE CB C 13 41.157 0.3 . 1 . . . . 73 PHE CB . 11061 1 816 . 1 1 73 73 PHE CD1 C 13 131.805 0.3 . 1 . . . . 73 PHE CD1 . 11061 1 817 . 1 1 73 73 PHE CD2 C 13 131.805 0.3 . 1 . . . . 73 PHE CD2 . 11061 1 818 . 1 1 73 73 PHE CE1 C 13 130.686 0.3 . 1 . . . . 73 PHE CE1 . 11061 1 819 . 1 1 73 73 PHE CE2 C 13 130.686 0.3 . 1 . . . . 73 PHE CE2 . 11061 1 820 . 1 1 73 73 PHE CZ C 13 128.730 0.3 . 1 . . . . 73 PHE CZ . 11061 1 821 . 1 1 73 73 PHE N N 15 118.046 0.3 . 1 . . . . 73 PHE N . 11061 1 822 . 1 1 74 74 ASP H H 1 9.033 0.03 . 1 . . . . 74 ASP H . 11061 1 823 . 1 1 74 74 ASP HA H 1 4.960 0.03 . 1 . . . . 74 ASP HA . 11061 1 824 . 1 1 74 74 ASP HB2 H 1 3.104 0.03 . 2 . . . . 74 ASP HB2 . 11061 1 825 . 1 1 74 74 ASP HB3 H 1 2.609 0.03 . 2 . . . . 74 ASP HB3 . 11061 1 826 . 1 1 74 74 ASP C C 13 176.681 0.3 . 1 . . . . 74 ASP C . 11061 1 827 . 1 1 74 74 ASP CA C 13 51.731 0.3 . 1 . . . . 74 ASP CA . 11061 1 828 . 1 1 74 74 ASP CB C 13 42.634 0.3 . 1 . . . . 74 ASP CB . 11061 1 829 . 1 1 74 74 ASP N N 15 128.409 0.3 . 1 . . . . 74 ASP N . 11061 1 830 . 1 1 75 75 PRO HA H 1 4.527 0.03 . 1 . . . . 75 PRO HA . 11061 1 831 . 1 1 75 75 PRO HB2 H 1 2.068 0.03 . 2 . . . . 75 PRO HB2 . 11061 1 832 . 1 1 75 75 PRO HB3 H 1 2.454 0.03 . 2 . . . . 75 PRO HB3 . 11061 1 833 . 1 1 75 75 PRO HD2 H 1 4.096 0.03 . 2 . . . . 75 PRO HD2 . 11061 1 834 . 1 1 75 75 PRO HD3 H 1 4.006 0.03 . 2 . . . . 75 PRO HD3 . 11061 1 835 . 1 1 75 75 PRO HG2 H 1 2.121 0.03 . 2 . . . . 75 PRO HG2 . 11061 1 836 . 1 1 75 75 PRO HG3 H 1 2.090 0.03 . 2 . . . . 75 PRO HG3 . 11061 1 837 . 1 1 75 75 PRO C C 13 177.210 0.3 . 1 . . . . 75 PRO C . 11061 1 838 . 1 1 75 75 PRO CA C 13 64.485 0.3 . 1 . . . . 75 PRO CA . 11061 1 839 . 1 1 75 75 PRO CB C 13 32.641 0.3 . 1 . . . . 75 PRO CB . 11061 1 840 . 1 1 75 75 PRO CD C 13 51.474 0.3 . 1 . . . . 75 PRO CD . 11061 1 841 . 1 1 75 75 PRO CG C 13 27.207 0.3 . 1 . . . . 75 PRO CG . 11061 1 842 . 1 1 76 76 ALA H H 1 8.909 0.03 . 1 . . . . 76 ALA H . 11061 1 843 . 1 1 76 76 ALA HA H 1 4.402 0.03 . 1 . . . . 76 ALA HA . 11061 1 844 . 1 1 76 76 ALA HB1 H 1 1.438 0.03 . 1 . . . . 76 ALA MB . 11061 1 845 . 1 1 76 76 ALA HB2 H 1 1.438 0.03 . 1 . . . . 76 ALA MB . 11061 1 846 . 1 1 76 76 ALA HB3 H 1 1.438 0.03 . 1 . . . . 76 ALA MB . 11061 1 847 . 1 1 76 76 ALA C C 13 177.724 0.3 . 1 . . . . 76 ALA C . 11061 1 848 . 1 1 76 76 ALA CA C 13 52.755 0.3 . 1 . . . . 76 ALA CA . 11061 1 849 . 1 1 76 76 ALA CB C 13 19.604 0.3 . 1 . . . . 76 ALA CB . 11061 1 850 . 1 1 76 76 ALA N N 15 119.922 0.3 . 1 . . . . 76 ALA N . 11061 1 851 . 1 1 77 77 LEU H H 1 7.725 0.03 . 1 . . . . 77 LEU H . 11061 1 852 . 1 1 77 77 LEU HA H 1 4.738 0.03 . 1 . . . . 77 LEU HA . 11061 1 853 . 1 1 77 77 LEU HB2 H 1 0.943 0.03 . 2 . . . . 77 LEU HB2 . 11061 1 854 . 1 1 77 77 LEU HB3 H 1 1.791 0.03 . 2 . . . . 77 LEU HB3 . 11061 1 855 . 1 1 77 77 LEU HD11 H 1 0.720 0.03 . 1 . . . . 77 LEU MD1 . 11061 1 856 . 1 1 77 77 LEU HD12 H 1 0.720 0.03 . 1 . . . . 77 LEU MD1 . 11061 1 857 . 1 1 77 77 LEU HD13 H 1 0.720 0.03 . 1 . . . . 77 LEU MD1 . 11061 1 858 . 1 1 77 77 LEU HD21 H 1 0.863 0.03 . 1 . . . . 77 LEU MD2 . 11061 1 859 . 1 1 77 77 LEU HD22 H 1 0.863 0.03 . 1 . . . . 77 LEU MD2 . 11061 1 860 . 1 1 77 77 LEU HD23 H 1 0.863 0.03 . 1 . . . . 77 LEU MD2 . 11061 1 861 . 1 1 77 77 LEU HG H 1 1.434 0.03 . 1 . . . . 77 LEU HG . 11061 1 862 . 1 1 77 77 LEU C C 13 175.956 0.3 . 1 . . . . 77 LEU C . 11061 1 863 . 1 1 77 77 LEU CA C 13 53.340 0.3 . 1 . . . . 77 LEU CA . 11061 1 864 . 1 1 77 77 LEU CB C 13 43.729 0.3 . 1 . . . . 77 LEU CB . 11061 1 865 . 1 1 77 77 LEU CD1 C 13 23.032 0.3 . 2 . . . . 77 LEU CD1 . 11061 1 866 . 1 1 77 77 LEU CD2 C 13 24.874 0.3 . 2 . . . . 77 LEU CD2 . 11061 1 867 . 1 1 77 77 LEU CG C 13 27.039 0.3 . 1 . . . . 77 LEU CG . 11061 1 868 . 1 1 77 77 LEU N N 15 119.423 0.3 . 1 . . . . 77 LEU N . 11061 1 869 . 1 1 78 78 LYS H H 1 8.133 0.03 . 1 . . . . 78 LYS H . 11061 1 870 . 1 1 78 78 LYS HA H 1 4.855 0.03 . 1 . . . . 78 LYS HA . 11061 1 871 . 1 1 78 78 LYS HB2 H 1 1.699 0.03 . 2 . . . . 78 LYS HB2 . 11061 1 872 . 1 1 78 78 LYS HB3 H 1 1.879 0.03 . 2 . . . . 78 LYS HB3 . 11061 1 873 . 1 1 78 78 LYS HD2 H 1 1.659 0.03 . 1 . . . . 78 LYS HD2 . 11061 1 874 . 1 1 78 78 LYS HD3 H 1 1.659 0.03 . 1 . . . . 78 LYS HD3 . 11061 1 875 . 1 1 78 78 LYS HE2 H 1 2.966 0.03 . 1 . . . . 78 LYS HE2 . 11061 1 876 . 1 1 78 78 LYS HE3 H 1 2.966 0.03 . 1 . . . . 78 LYS HE3 . 11061 1 877 . 1 1 78 78 LYS HG2 H 1 1.387 0.03 . 2 . . . . 78 LYS HG2 . 11061 1 878 . 1 1 78 78 LYS HG3 H 1 1.486 0.03 . 2 . . . . 78 LYS HG3 . 11061 1 879 . 1 1 78 78 LYS C C 13 175.024 0.3 . 1 . . . . 78 LYS C . 11061 1 880 . 1 1 78 78 LYS CA C 13 55.895 0.3 . 1 . . . . 78 LYS CA . 11061 1 881 . 1 1 78 78 LYS CB C 13 34.691 0.3 . 1 . . . . 78 LYS CB . 11061 1 882 . 1 1 78 78 LYS CD C 13 29.181 0.3 . 1 . . . . 78 LYS CD . 11061 1 883 . 1 1 78 78 LYS CE C 13 42.249 0.3 . 1 . . . . 78 LYS CE . 11061 1 884 . 1 1 78 78 LYS CG C 13 25.338 0.3 . 1 . . . . 78 LYS CG . 11061 1 885 . 1 1 78 78 LYS N N 15 119.164 0.3 . 1 . . . . 78 LYS N . 11061 1 886 . 1 1 79 79 TYR H H 1 8.690 0.03 . 1 . . . . 79 TYR H . 11061 1 887 . 1 1 79 79 TYR HA H 1 5.068 0.03 . 1 . . . . 79 TYR HA . 11061 1 888 . 1 1 79 79 TYR HB2 H 1 2.638 0.03 . 2 . . . . 79 TYR HB2 . 11061 1 889 . 1 1 79 79 TYR HB3 H 1 3.247 0.03 . 2 . . . . 79 TYR HB3 . 11061 1 890 . 1 1 79 79 TYR HD1 H 1 7.014 0.03 . 1 . . . . 79 TYR HD1 . 11061 1 891 . 1 1 79 79 TYR HD2 H 1 7.014 0.03 . 1 . . . . 79 TYR HD2 . 11061 1 892 . 1 1 79 79 TYR HE1 H 1 7.052 0.03 . 1 . . . . 79 TYR HE1 . 11061 1 893 . 1 1 79 79 TYR HE2 H 1 7.052 0.03 . 1 . . . . 79 TYR HE2 . 11061 1 894 . 1 1 79 79 TYR C C 13 174.446 0.3 . 1 . . . . 79 TYR C . 11061 1 895 . 1 1 79 79 TYR CA C 13 57.624 0.3 . 1 . . . . 79 TYR CA . 11061 1 896 . 1 1 79 79 TYR CB C 13 41.609 0.3 . 1 . . . . 79 TYR CB . 11061 1 897 . 1 1 79 79 TYR CD1 C 13 133.599 0.3 . 1 . . . . 79 TYR CD1 . 11061 1 898 . 1 1 79 79 TYR CD2 C 13 133.599 0.3 . 1 . . . . 79 TYR CD2 . 11061 1 899 . 1 1 79 79 TYR CE1 C 13 118.827 0.3 . 1 . . . . 79 TYR CE1 . 11061 1 900 . 1 1 79 79 TYR CE2 C 13 118.827 0.3 . 1 . . . . 79 TYR CE2 . 11061 1 901 . 1 1 79 79 TYR N N 15 120.883 0.3 . 1 . . . . 79 TYR N . 11061 1 902 . 1 1 80 80 ASN H H 1 9.512 0.03 . 1 . . . . 80 ASN H . 11061 1 903 . 1 1 80 80 ASN HA H 1 5.430 0.03 . 1 . . . . 80 ASN HA . 11061 1 904 . 1 1 80 80 ASN HB2 H 1 2.873 0.03 . 2 . . . . 80 ASN HB2 . 11061 1 905 . 1 1 80 80 ASN HB3 H 1 2.799 0.03 . 2 . . . . 80 ASN HB3 . 11061 1 906 . 1 1 80 80 ASN HD21 H 1 7.586 0.03 . 2 . . . . 80 ASN HD21 . 11061 1 907 . 1 1 80 80 ASN HD22 H 1 6.662 0.03 . 2 . . . . 80 ASN HD22 . 11061 1 908 . 1 1 80 80 ASN C C 13 174.474 0.3 . 1 . . . . 80 ASN C . 11061 1 909 . 1 1 80 80 ASN CA C 13 52.767 0.3 . 1 . . . . 80 ASN CA . 11061 1 910 . 1 1 80 80 ASN CB C 13 40.238 0.3 . 1 . . . . 80 ASN CB . 11061 1 911 . 1 1 80 80 ASN N N 15 125.067 0.3 . 1 . . . . 80 ASN N . 11061 1 912 . 1 1 80 80 ASN ND2 N 15 113.094 0.3 . 1 . . . . 80 ASN ND2 . 11061 1 913 . 1 1 81 81 VAL H H 1 9.236 0.03 . 1 . . . . 81 VAL H . 11061 1 914 . 1 1 81 81 VAL HA H 1 5.133 0.03 . 1 . . . . 81 VAL HA . 11061 1 915 . 1 1 81 81 VAL HB H 1 2.022 0.03 . 1 . . . . 81 VAL HB . 11061 1 916 . 1 1 81 81 VAL HG11 H 1 0.786 0.03 . 1 . . . . 81 VAL MG1 . 11061 1 917 . 1 1 81 81 VAL HG12 H 1 0.786 0.03 . 1 . . . . 81 VAL MG1 . 11061 1 918 . 1 1 81 81 VAL HG13 H 1 0.786 0.03 . 1 . . . . 81 VAL MG1 . 11061 1 919 . 1 1 81 81 VAL HG21 H 1 1.194 0.03 . 1 . . . . 81 VAL MG2 . 11061 1 920 . 1 1 81 81 VAL HG22 H 1 1.194 0.03 . 1 . . . . 81 VAL MG2 . 11061 1 921 . 1 1 81 81 VAL HG23 H 1 1.194 0.03 . 1 . . . . 81 VAL MG2 . 11061 1 922 . 1 1 81 81 VAL C C 13 174.315 0.3 . 1 . . . . 81 VAL C . 11061 1 923 . 1 1 81 81 VAL CA C 13 61.481 0.3 . 1 . . . . 81 VAL CA . 11061 1 924 . 1 1 81 81 VAL CB C 13 34.261 0.3 . 1 . . . . 81 VAL CB . 11061 1 925 . 1 1 81 81 VAL CG1 C 13 23.703 0.3 . 2 . . . . 81 VAL CG1 . 11061 1 926 . 1 1 81 81 VAL CG2 C 13 23.318 0.3 . 2 . . . . 81 VAL CG2 . 11061 1 927 . 1 1 81 81 VAL N N 15 127.964 0.3 . 1 . . . . 81 VAL N . 11061 1 928 . 1 1 82 82 THR H H 1 9.313 0.03 . 1 . . . . 82 THR H . 11061 1 929 . 1 1 82 82 THR HA H 1 5.195 0.03 . 1 . . . . 82 THR HA . 11061 1 930 . 1 1 82 82 THR HB H 1 3.989 0.03 . 1 . . . . 82 THR HB . 11061 1 931 . 1 1 82 82 THR HG21 H 1 0.798 0.03 . 1 . . . . 82 THR MG . 11061 1 932 . 1 1 82 82 THR HG22 H 1 0.798 0.03 . 1 . . . . 82 THR MG . 11061 1 933 . 1 1 82 82 THR HG23 H 1 0.798 0.03 . 1 . . . . 82 THR MG . 11061 1 934 . 1 1 82 82 THR C C 13 173.216 0.3 . 1 . . . . 82 THR C . 11061 1 935 . 1 1 82 82 THR CA C 13 61.980 0.3 . 1 . . . . 82 THR CA . 11061 1 936 . 1 1 82 82 THR CB C 13 71.077 0.3 . 1 . . . . 82 THR CB . 11061 1 937 . 1 1 82 82 THR CG2 C 13 21.914 0.3 . 1 . . . . 82 THR CG2 . 11061 1 938 . 1 1 82 82 THR N N 15 125.850 0.3 . 1 . . . . 82 THR N . 11061 1 939 . 1 1 83 83 TRP H H 1 9.403 0.03 . 1 . . . . 83 TRP H . 11061 1 940 . 1 1 83 83 TRP HA H 1 5.738 0.03 . 1 . . . . 83 TRP HA . 11061 1 941 . 1 1 83 83 TRP HB2 H 1 2.916 0.03 . 2 . . . . 83 TRP HB2 . 11061 1 942 . 1 1 83 83 TRP HB3 H 1 3.248 0.03 . 2 . . . . 83 TRP HB3 . 11061 1 943 . 1 1 83 83 TRP HD1 H 1 6.492 0.03 . 1 . . . . 83 TRP HD1 . 11061 1 944 . 1 1 83 83 TRP HE1 H 1 5.121 0.03 . 1 . . . . 83 TRP HE1 . 11061 1 945 . 1 1 83 83 TRP HE3 H 1 7.147 0.03 . 1 . . . . 83 TRP HE3 . 11061 1 946 . 1 1 83 83 TRP HH2 H 1 7.021 0.03 . 1 . . . . 83 TRP HH2 . 11061 1 947 . 1 1 83 83 TRP HZ2 H 1 6.460 0.03 . 1 . . . . 83 TRP HZ2 . 11061 1 948 . 1 1 83 83 TRP HZ3 H 1 6.808 0.03 . 1 . . . . 83 TRP HZ3 . 11061 1 949 . 1 1 83 83 TRP C C 13 174.099 0.3 . 1 . . . . 83 TRP C . 11061 1 950 . 1 1 83 83 TRP CA C 13 52.648 0.3 . 1 . . . . 83 TRP CA . 11061 1 951 . 1 1 83 83 TRP CB C 13 34.126 0.3 . 1 . . . . 83 TRP CB . 11061 1 952 . 1 1 83 83 TRP CD1 C 13 121.009 0.3 . 1 . . . . 83 TRP CD1 . 11061 1 953 . 1 1 83 83 TRP CE3 C 13 120.283 0.3 . 1 . . . . 83 TRP CE3 . 11061 1 954 . 1 1 83 83 TRP CH2 C 13 124.166 0.3 . 1 . . . . 83 TRP CH2 . 11061 1 955 . 1 1 83 83 TRP CZ2 C 13 114.205 0.3 . 1 . . . . 83 TRP CZ2 . 11061 1 956 . 1 1 83 83 TRP CZ3 C 13 121.170 0.3 . 1 . . . . 83 TRP CZ3 . 11061 1 957 . 1 1 83 83 TRP N N 15 126.075 0.3 . 1 . . . . 83 TRP N . 11061 1 958 . 1 1 83 83 TRP NE1 N 15 117.933 0.3 . 1 . . . . 83 TRP NE1 . 11061 1 959 . 1 1 84 84 TYR H H 1 9.582 0.03 . 1 . . . . 84 TYR H . 11061 1 960 . 1 1 84 84 TYR HA H 1 5.329 0.03 . 1 . . . . 84 TYR HA . 11061 1 961 . 1 1 84 84 TYR HB2 H 1 2.750 0.03 . 2 . . . . 84 TYR HB2 . 11061 1 962 . 1 1 84 84 TYR HB3 H 1 2.861 0.03 . 2 . . . . 84 TYR HB3 . 11061 1 963 . 1 1 84 84 TYR HD1 H 1 6.840 0.03 . 1 . . . . 84 TYR HD1 . 11061 1 964 . 1 1 84 84 TYR HD2 H 1 6.840 0.03 . 1 . . . . 84 TYR HD2 . 11061 1 965 . 1 1 84 84 TYR HE1 H 1 6.566 0.03 . 1 . . . . 84 TYR HE1 . 11061 1 966 . 1 1 84 84 TYR HE2 H 1 6.566 0.03 . 1 . . . . 84 TYR HE2 . 11061 1 967 . 1 1 84 84 TYR C C 13 175.964 0.3 . 1 . . . . 84 TYR C . 11061 1 968 . 1 1 84 84 TYR CA C 13 56.620 0.3 . 1 . . . . 84 TYR CA . 11061 1 969 . 1 1 84 84 TYR CB C 13 38.931 0.3 . 1 . . . . 84 TYR CB . 11061 1 970 . 1 1 84 84 TYR CD1 C 13 132.918 0.3 . 1 . . . . 84 TYR CD1 . 11061 1 971 . 1 1 84 84 TYR CD2 C 13 132.918 0.3 . 1 . . . . 84 TYR CD2 . 11061 1 972 . 1 1 84 84 TYR CE1 C 13 118.152 0.3 . 1 . . . . 84 TYR CE1 . 11061 1 973 . 1 1 84 84 TYR CE2 C 13 118.152 0.3 . 1 . . . . 84 TYR CE2 . 11061 1 974 . 1 1 84 84 TYR N N 15 121.256 0.3 . 1 . . . . 84 TYR N . 11061 1 975 . 1 1 85 85 VAL H H 1 9.425 0.03 . 1 . . . . 85 VAL H . 11061 1 976 . 1 1 85 85 VAL HA H 1 5.735 0.03 . 1 . . . . 85 VAL HA . 11061 1 977 . 1 1 85 85 VAL HB H 1 2.104 0.03 . 1 . . . . 85 VAL HB . 11061 1 978 . 1 1 85 85 VAL HG11 H 1 0.935 0.03 . 1 . . . . 85 VAL MG1 . 11061 1 979 . 1 1 85 85 VAL HG12 H 1 0.935 0.03 . 1 . . . . 85 VAL MG1 . 11061 1 980 . 1 1 85 85 VAL HG13 H 1 0.935 0.03 . 1 . . . . 85 VAL MG1 . 11061 1 981 . 1 1 85 85 VAL HG21 H 1 1.068 0.03 . 1 . . . . 85 VAL MG2 . 11061 1 982 . 1 1 85 85 VAL HG22 H 1 1.068 0.03 . 1 . . . . 85 VAL MG2 . 11061 1 983 . 1 1 85 85 VAL HG23 H 1 1.068 0.03 . 1 . . . . 85 VAL MG2 . 11061 1 984 . 1 1 85 85 VAL C C 13 175.913 0.3 . 1 . . . . 85 VAL C . 11061 1 985 . 1 1 85 85 VAL CA C 13 58.308 0.3 . 1 . . . . 85 VAL CA . 11061 1 986 . 1 1 85 85 VAL CB C 13 35.621 0.3 . 1 . . . . 85 VAL CB . 11061 1 987 . 1 1 85 85 VAL CG1 C 13 21.798 0.3 . 2 . . . . 85 VAL CG1 . 11061 1 988 . 1 1 85 85 VAL CG2 C 13 23.358 0.3 . 2 . . . . 85 VAL CG2 . 11061 1 989 . 1 1 85 85 VAL N N 15 117.834 0.3 . 1 . . . . 85 VAL N . 11061 1 990 . 1 1 86 86 SER H H 1 8.675 0.03 . 1 . . . . 86 SER H . 11061 1 991 . 1 1 86 86 SER HA H 1 3.560 0.03 . 1 . . . . 86 SER HA . 11061 1 992 . 1 1 86 86 SER HB2 H 1 4.004 0.03 . 2 . . . . 86 SER HB2 . 11061 1 993 . 1 1 86 86 SER HB3 H 1 2.485 0.03 . 2 . . . . 86 SER HB3 . 11061 1 994 . 1 1 86 86 SER C C 13 174.390 0.3 . 1 . . . . 86 SER C . 11061 1 995 . 1 1 86 86 SER CA C 13 61.229 0.3 . 1 . . . . 86 SER CA . 11061 1 996 . 1 1 86 86 SER CB C 13 61.869 0.3 . 1 . . . . 86 SER CB . 11061 1 997 . 1 1 86 86 SER N N 15 119.641 0.3 . 1 . . . . 86 SER N . 11061 1 998 . 1 1 87 87 SER H H 1 6.810 0.03 . 1 . . . . 87 SER H . 11061 1 999 . 1 1 87 87 SER HA H 1 5.203 0.03 . 1 . . . . 87 SER HA . 11061 1 1000 . 1 1 87 87 SER HB2 H 1 3.596 0.03 . 1 . . . . 87 SER HB2 . 11061 1 1001 . 1 1 87 87 SER HB3 H 1 3.596 0.03 . 1 . . . . 87 SER HB3 . 11061 1 1002 . 1 1 87 87 SER CA C 13 56.625 0.3 . 1 . . . . 87 SER CA . 11061 1 1003 . 1 1 87 87 SER CB C 13 65.178 0.3 . 1 . . . . 87 SER CB . 11061 1 1004 . 1 1 87 87 SER N N 15 111.270 0.3 . 1 . . . . 87 SER N . 11061 1 1005 . 1 1 88 88 SER H H 1 7.603 0.03 . 1 . . . . 88 SER H . 11061 1 1006 . 1 1 88 88 SER HA H 1 4.305 0.03 . 1 . . . . 88 SER HA . 11061 1 1007 . 1 1 88 88 SER HB2 H 1 4.249 0.03 . 2 . . . . 88 SER HB2 . 11061 1 1008 . 1 1 88 88 SER HB3 H 1 3.910 0.03 . 2 . . . . 88 SER HB3 . 11061 1 1009 . 1 1 88 88 SER CA C 13 58.735 0.3 . 1 . . . . 88 SER CA . 11061 1 1010 . 1 1 88 88 SER CB C 13 61.799 0.3 . 1 . . . . 88 SER CB . 11061 1 1011 . 1 1 88 88 SER N N 15 116.625 0.3 . 1 . . . . 88 SER N . 11061 1 1012 . 1 1 89 89 PRO HA H 1 4.810 0.03 . 1 . . . . 89 PRO HA . 11061 1 1013 . 1 1 89 89 PRO HB2 H 1 2.403 0.03 . 2 . . . . 89 PRO HB2 . 11061 1 1014 . 1 1 89 89 PRO HB3 H 1 1.962 0.03 . 2 . . . . 89 PRO HB3 . 11061 1 1015 . 1 1 89 89 PRO HD2 H 1 3.813 0.03 . 2 . . . . 89 PRO HD2 . 11061 1 1016 . 1 1 89 89 PRO HD3 H 1 3.370 0.03 . 2 . . . . 89 PRO HD3 . 11061 1 1017 . 1 1 89 89 PRO HG2 H 1 2.118 0.03 . 2 . . . . 89 PRO HG2 . 11061 1 1018 . 1 1 89 89 PRO HG3 H 1 1.800 0.03 . 2 . . . . 89 PRO HG3 . 11061 1 1019 . 1 1 89 89 PRO C C 13 177.027 0.3 . 1 . . . . 89 PRO C . 11061 1 1020 . 1 1 89 89 PRO CA C 13 64.207 0.3 . 1 . . . . 89 PRO CA . 11061 1 1021 . 1 1 89 89 PRO CB C 13 32.927 0.3 . 1 . . . . 89 PRO CB . 11061 1 1022 . 1 1 89 89 PRO CD C 13 50.323 0.3 . 1 . . . . 89 PRO CD . 11061 1 1023 . 1 1 89 89 PRO CG C 13 27.524 0.3 . 1 . . . . 89 PRO CG . 11061 1 1024 . 1 1 90 90 CYS H H 1 8.471 0.03 . 1 . . . . 90 CYS H . 11061 1 1025 . 1 1 90 90 CYS HA H 1 4.760 0.03 . 1 . . . . 90 CYS HA . 11061 1 1026 . 1 1 90 90 CYS HB2 H 1 3.732 0.03 . 2 . . . . 90 CYS HB2 . 11061 1 1027 . 1 1 90 90 CYS HB3 H 1 3.204 0.03 . 2 . . . . 90 CYS HB3 . 11061 1 1028 . 1 1 90 90 CYS C C 13 174.607 0.3 . 1 . . . . 90 CYS C . 11061 1 1029 . 1 1 90 90 CYS CA C 13 57.442 0.3 . 1 . . . . 90 CYS CA . 11061 1 1030 . 1 1 90 90 CYS CB C 13 29.598 0.3 . 1 . . . . 90 CYS CB . 11061 1 1031 . 1 1 90 90 CYS N N 15 118.513 0.3 . 1 . . . . 90 CYS N . 11061 1 1032 . 1 1 91 91 ALA H H 1 8.898 0.03 . 1 . . . . 91 ALA H . 11061 1 1033 . 1 1 91 91 ALA HA H 1 3.953 0.03 . 1 . . . . 91 ALA HA . 11061 1 1034 . 1 1 91 91 ALA HB1 H 1 1.399 0.03 . 1 . . . . 91 ALA MB . 11061 1 1035 . 1 1 91 91 ALA HB2 H 1 1.399 0.03 . 1 . . . . 91 ALA MB . 11061 1 1036 . 1 1 91 91 ALA HB3 H 1 1.399 0.03 . 1 . . . . 91 ALA MB . 11061 1 1037 . 1 1 91 91 ALA C C 13 179.678 0.3 . 1 . . . . 91 ALA C . 11061 1 1038 . 1 1 91 91 ALA CA C 13 56.072 0.3 . 1 . . . . 91 ALA CA . 11061 1 1039 . 1 1 91 91 ALA CB C 13 17.918 0.3 . 1 . . . . 91 ALA CB . 11061 1 1040 . 1 1 91 91 ALA N N 15 121.010 0.3 . 1 . . . . 91 ALA N . 11061 1 1041 . 1 1 92 92 ALA H H 1 8.277 0.03 . 1 . . . . 92 ALA H . 11061 1 1042 . 1 1 92 92 ALA HA H 1 4.287 0.03 . 1 . . . . 92 ALA HA . 11061 1 1043 . 1 1 92 92 ALA HB1 H 1 1.519 0.03 . 1 . . . . 92 ALA MB . 11061 1 1044 . 1 1 92 92 ALA HB2 H 1 1.519 0.03 . 1 . . . . 92 ALA MB . 11061 1 1045 . 1 1 92 92 ALA HB3 H 1 1.519 0.03 . 1 . . . . 92 ALA MB . 11061 1 1046 . 1 1 92 92 ALA C C 13 181.797 0.3 . 1 . . . . 92 ALA C . 11061 1 1047 . 1 1 92 92 ALA CA C 13 55.659 0.3 . 1 . . . . 92 ALA CA . 11061 1 1048 . 1 1 92 92 ALA CB C 13 18.932 0.3 . 1 . . . . 92 ALA CB . 11061 1 1049 . 1 1 92 92 ALA N N 15 123.238 0.3 . 1 . . . . 92 ALA N . 11061 1 1050 . 1 1 93 93 CYS H H 1 9.131 0.03 . 1 . . . . 93 CYS H . 11061 1 1051 . 1 1 93 93 CYS HA H 1 4.035 0.03 . 1 . . . . 93 CYS HA . 11061 1 1052 . 1 1 93 93 CYS HB2 H 1 2.752 0.03 . 2 . . . . 93 CYS HB2 . 11061 1 1053 . 1 1 93 93 CYS HB3 H 1 3.179 0.03 . 2 . . . . 93 CYS HB3 . 11061 1 1054 . 1 1 93 93 CYS C C 13 178.270 0.3 . 1 . . . . 93 CYS C . 11061 1 1055 . 1 1 93 93 CYS CA C 13 66.138 0.3 . 1 . . . . 93 CYS CA . 11061 1 1056 . 1 1 93 93 CYS CB C 13 29.694 0.3 . 1 . . . . 93 CYS CB . 11061 1 1057 . 1 1 93 93 CYS N N 15 124.690 0.3 . 1 . . . . 93 CYS N . 11061 1 1058 . 1 1 94 94 ALA H H 1 9.002 0.03 . 1 . . . . 94 ALA H . 11061 1 1059 . 1 1 94 94 ALA HA H 1 3.986 0.03 . 1 . . . . 94 ALA HA . 11061 1 1060 . 1 1 94 94 ALA HB1 H 1 1.474 0.03 . 1 . . . . 94 ALA MB . 11061 1 1061 . 1 1 94 94 ALA HB2 H 1 1.474 0.03 . 1 . . . . 94 ALA MB . 11061 1 1062 . 1 1 94 94 ALA HB3 H 1 1.474 0.03 . 1 . . . . 94 ALA MB . 11061 1 1063 . 1 1 94 94 ALA C C 13 179.113 0.3 . 1 . . . . 94 ALA C . 11061 1 1064 . 1 1 94 94 ALA CA C 13 55.872 0.3 . 1 . . . . 94 ALA CA . 11061 1 1065 . 1 1 94 94 ALA CB C 13 18.503 0.3 . 1 . . . . 94 ALA CB . 11061 1 1066 . 1 1 94 94 ALA N N 15 121.084 0.3 . 1 . . . . 94 ALA N . 11061 1 1067 . 1 1 95 95 ASP H H 1 7.883 0.03 . 1 . . . . 95 ASP H . 11061 1 1068 . 1 1 95 95 ASP HA H 1 4.435 0.03 . 1 . . . . 95 ASP HA . 11061 1 1069 . 1 1 95 95 ASP HB2 H 1 2.816 0.03 . 2 . . . . 95 ASP HB2 . 11061 1 1070 . 1 1 95 95 ASP HB3 H 1 2.758 0.03 . 2 . . . . 95 ASP HB3 . 11061 1 1071 . 1 1 95 95 ASP C C 13 177.553 0.3 . 1 . . . . 95 ASP C . 11061 1 1072 . 1 1 95 95 ASP CA C 13 58.063 0.3 . 1 . . . . 95 ASP CA . 11061 1 1073 . 1 1 95 95 ASP CB C 13 41.865 0.3 . 1 . . . . 95 ASP CB . 11061 1 1074 . 1 1 95 95 ASP N N 15 118.256 0.3 . 1 . . . . 95 ASP N . 11061 1 1075 . 1 1 96 96 ARG H H 1 7.581 0.03 . 1 . . . . 96 ARG H . 11061 1 1076 . 1 1 96 96 ARG HA H 1 4.049 0.03 . 1 . . . . 96 ARG HA . 11061 1 1077 . 1 1 96 96 ARG HB2 H 1 2.031 0.03 . 2 . . . . 96 ARG HB2 . 11061 1 1078 . 1 1 96 96 ARG HB3 H 1 2.172 0.03 . 2 . . . . 96 ARG HB3 . 11061 1 1079 . 1 1 96 96 ARG HD2 H 1 3.192 0.03 . 2 . . . . 96 ARG HD2 . 11061 1 1080 . 1 1 96 96 ARG HD3 H 1 3.250 0.03 . 2 . . . . 96 ARG HD3 . 11061 1 1081 . 1 1 96 96 ARG HG2 H 1 1.417 0.03 . 2 . . . . 96 ARG HG2 . 11061 1 1082 . 1 1 96 96 ARG HG3 H 1 1.807 0.03 . 2 . . . . 96 ARG HG3 . 11061 1 1083 . 1 1 96 96 ARG C C 13 179.949 0.3 . 1 . . . . 96 ARG C . 11061 1 1084 . 1 1 96 96 ARG CA C 13 58.641 0.3 . 1 . . . . 96 ARG CA . 11061 1 1085 . 1 1 96 96 ARG CB C 13 28.925 0.3 . 1 . . . . 96 ARG CB . 11061 1 1086 . 1 1 96 96 ARG CD C 13 42.523 0.3 . 1 . . . . 96 ARG CD . 11061 1 1087 . 1 1 96 96 ARG CG C 13 27.516 0.3 . 1 . . . . 96 ARG CG . 11061 1 1088 . 1 1 96 96 ARG N N 15 119.710 0.3 . 1 . . . . 96 ARG N . 11061 1 1089 . 1 1 97 97 ILE H H 1 8.728 0.03 . 1 . . . . 97 ILE H . 11061 1 1090 . 1 1 97 97 ILE HA H 1 3.194 0.03 . 1 . . . . 97 ILE HA . 11061 1 1091 . 1 1 97 97 ILE HB H 1 1.914 0.03 . 1 . . . . 97 ILE HB . 11061 1 1092 . 1 1 97 97 ILE HD11 H 1 0.963 0.03 . 1 . . . . 97 ILE MD . 11061 1 1093 . 1 1 97 97 ILE HD12 H 1 0.963 0.03 . 1 . . . . 97 ILE MD . 11061 1 1094 . 1 1 97 97 ILE HD13 H 1 0.963 0.03 . 1 . . . . 97 ILE MD . 11061 1 1095 . 1 1 97 97 ILE HG12 H 1 2.204 0.03 . 2 . . . . 97 ILE HG12 . 11061 1 1096 . 1 1 97 97 ILE HG13 H 1 1.078 0.03 . 2 . . . . 97 ILE HG13 . 11061 1 1097 . 1 1 97 97 ILE HG21 H 1 0.663 0.03 . 1 . . . . 97 ILE MG . 11061 1 1098 . 1 1 97 97 ILE HG22 H 1 0.663 0.03 . 1 . . . . 97 ILE MG . 11061 1 1099 . 1 1 97 97 ILE HG23 H 1 0.663 0.03 . 1 . . . . 97 ILE MG . 11061 1 1100 . 1 1 97 97 ILE C C 13 177.136 0.3 . 1 . . . . 97 ILE C . 11061 1 1101 . 1 1 97 97 ILE CA C 13 66.208 0.3 . 1 . . . . 97 ILE CA . 11061 1 1102 . 1 1 97 97 ILE CB C 13 38.662 0.3 . 1 . . . . 97 ILE CB . 11061 1 1103 . 1 1 97 97 ILE CD1 C 13 15.026 0.3 . 1 . . . . 97 ILE CD1 . 11061 1 1104 . 1 1 97 97 ILE CG1 C 13 29.267 0.3 . 1 . . . . 97 ILE CG1 . 11061 1 1105 . 1 1 97 97 ILE CG2 C 13 19.209 0.3 . 1 . . . . 97 ILE CG2 . 11061 1 1106 . 1 1 97 97 ILE N N 15 121.918 0.3 . 1 . . . . 97 ILE N . 11061 1 1107 . 1 1 98 98 LEU H H 1 8.556 0.03 . 1 . . . . 98 LEU H . 11061 1 1108 . 1 1 98 98 LEU HA H 1 3.743 0.03 . 1 . . . . 98 LEU HA . 11061 1 1109 . 1 1 98 98 LEU HB2 H 1 1.845 0.03 . 2 . . . . 98 LEU HB2 . 11061 1 1110 . 1 1 98 98 LEU HB3 H 1 1.781 0.03 . 2 . . . . 98 LEU HB3 . 11061 1 1111 . 1 1 98 98 LEU HD11 H 1 0.845 0.03 . 1 . . . . 98 LEU MD1 . 11061 1 1112 . 1 1 98 98 LEU HD12 H 1 0.845 0.03 . 1 . . . . 98 LEU MD1 . 11061 1 1113 . 1 1 98 98 LEU HD13 H 1 0.845 0.03 . 1 . . . . 98 LEU MD1 . 11061 1 1114 . 1 1 98 98 LEU HD21 H 1 0.866 0.03 . 1 . . . . 98 LEU MD2 . 11061 1 1115 . 1 1 98 98 LEU HD22 H 1 0.866 0.03 . 1 . . . . 98 LEU MD2 . 11061 1 1116 . 1 1 98 98 LEU HD23 H 1 0.866 0.03 . 1 . . . . 98 LEU MD2 . 11061 1 1117 . 1 1 98 98 LEU HG H 1 1.649 0.03 . 1 . . . . 98 LEU HG . 11061 1 1118 . 1 1 98 98 LEU C C 13 179.553 0.3 . 1 . . . . 98 LEU C . 11061 1 1119 . 1 1 98 98 LEU CA C 13 58.905 0.3 . 1 . . . . 98 LEU CA . 11061 1 1120 . 1 1 98 98 LEU CB C 13 41.929 0.3 . 1 . . . . 98 LEU CB . 11061 1 1121 . 1 1 98 98 LEU CD1 C 13 25.314 0.3 . 2 . . . . 98 LEU CD1 . 11061 1 1122 . 1 1 98 98 LEU CD2 C 13 25.558 0.3 . 2 . . . . 98 LEU CD2 . 11061 1 1123 . 1 1 98 98 LEU CG C 13 27.175 0.3 . 1 . . . . 98 LEU CG . 11061 1 1124 . 1 1 98 98 LEU N N 15 121.222 0.3 . 1 . . . . 98 LEU N . 11061 1 1125 . 1 1 99 99 LYS H H 1 8.381 0.03 . 1 . . . . 99 LYS H . 11061 1 1126 . 1 1 99 99 LYS HA H 1 3.885 0.03 . 1 . . . . 99 LYS HA . 11061 1 1127 . 1 1 99 99 LYS HB2 H 1 1.844 0.03 . 2 . . . . 99 LYS HB2 . 11061 1 1128 . 1 1 99 99 LYS HB3 H 1 1.791 0.03 . 2 . . . . 99 LYS HB3 . 11061 1 1129 . 1 1 99 99 LYS HD2 H 1 1.603 0.03 . 2 . . . . 99 LYS HD2 . 11061 1 1130 . 1 1 99 99 LYS HD3 H 1 1.546 0.03 . 2 . . . . 99 LYS HD3 . 11061 1 1131 . 1 1 99 99 LYS HE2 H 1 2.933 0.03 . 1 . . . . 99 LYS HE2 . 11061 1 1132 . 1 1 99 99 LYS HE3 H 1 2.933 0.03 . 1 . . . . 99 LYS HE3 . 11061 1 1133 . 1 1 99 99 LYS HG2 H 1 1.394 0.03 . 2 . . . . 99 LYS HG2 . 11061 1 1134 . 1 1 99 99 LYS HG3 H 1 1.563 0.03 . 2 . . . . 99 LYS HG3 . 11061 1 1135 . 1 1 99 99 LYS C C 13 179.530 0.3 . 1 . . . . 99 LYS C . 11061 1 1136 . 1 1 99 99 LYS CA C 13 59.802 0.3 . 1 . . . . 99 LYS CA . 11061 1 1137 . 1 1 99 99 LYS CB C 13 32.566 0.3 . 1 . . . . 99 LYS CB . 11061 1 1138 . 1 1 99 99 LYS CD C 13 29.053 0.3 . 1 . . . . 99 LYS CD . 11061 1 1139 . 1 1 99 99 LYS CE C 13 42.183 0.3 . 1 . . . . 99 LYS CE . 11061 1 1140 . 1 1 99 99 LYS CG C 13 26.283 0.3 . 1 . . . . 99 LYS CG . 11061 1 1141 . 1 1 99 99 LYS N N 15 120.044 0.3 . 1 . . . . 99 LYS N . 11061 1 1142 . 1 1 100 100 THR H H 1 7.643 0.03 . 1 . . . . 100 THR H . 11061 1 1143 . 1 1 100 100 THR HA H 1 3.684 0.03 . 1 . . . . 100 THR HA . 11061 1 1144 . 1 1 100 100 THR HB H 1 3.731 0.03 . 1 . . . . 100 THR HB . 11061 1 1145 . 1 1 100 100 THR HG21 H 1 0.704 0.03 . 1 . . . . 100 THR MG . 11061 1 1146 . 1 1 100 100 THR HG22 H 1 0.704 0.03 . 1 . . . . 100 THR MG . 11061 1 1147 . 1 1 100 100 THR HG23 H 1 0.704 0.03 . 1 . . . . 100 THR MG . 11061 1 1148 . 1 1 100 100 THR C C 13 176.723 0.3 . 1 . . . . 100 THR C . 11061 1 1149 . 1 1 100 100 THR CA C 13 67.489 0.3 . 1 . . . . 100 THR CA . 11061 1 1150 . 1 1 100 100 THR CB C 13 68.330 0.3 . 1 . . . . 100 THR CB . 11061 1 1151 . 1 1 100 100 THR CG2 C 13 20.777 0.3 . 1 . . . . 100 THR CG2 . 11061 1 1152 . 1 1 100 100 THR N N 15 116.706 0.3 . 1 . . . . 100 THR N . 11061 1 1153 . 1 1 101 101 LEU H H 1 8.710 0.03 . 1 . . . . 101 LEU H . 11061 1 1154 . 1 1 101 101 LEU HA H 1 3.868 0.03 . 1 . . . . 101 LEU HA . 11061 1 1155 . 1 1 101 101 LEU HB2 H 1 1.711 0.03 . 2 . . . . 101 LEU HB2 . 11061 1 1156 . 1 1 101 101 LEU HB3 H 1 1.525 0.03 . 2 . . . . 101 LEU HB3 . 11061 1 1157 . 1 1 101 101 LEU HD11 H 1 0.703 0.03 . 1 . . . . 101 LEU MD1 . 11061 1 1158 . 1 1 101 101 LEU HD12 H 1 0.703 0.03 . 1 . . . . 101 LEU MD1 . 11061 1 1159 . 1 1 101 101 LEU HD13 H 1 0.703 0.03 . 1 . . . . 101 LEU MD1 . 11061 1 1160 . 1 1 101 101 LEU HD21 H 1 0.702 0.03 . 1 . . . . 101 LEU MD2 . 11061 1 1161 . 1 1 101 101 LEU HD22 H 1 0.702 0.03 . 1 . . . . 101 LEU MD2 . 11061 1 1162 . 1 1 101 101 LEU HD23 H 1 0.702 0.03 . 1 . . . . 101 LEU MD2 . 11061 1 1163 . 1 1 101 101 LEU HG H 1 1.704 0.03 . 1 . . . . 101 LEU HG . 11061 1 1164 . 1 1 101 101 LEU C C 13 179.164 0.3 . 1 . . . . 101 LEU C . 11061 1 1165 . 1 1 101 101 LEU CA C 13 58.130 0.3 . 1 . . . . 101 LEU CA . 11061 1 1166 . 1 1 101 101 LEU CB C 13 41.481 0.3 . 1 . . . . 101 LEU CB . 11061 1 1167 . 1 1 101 101 LEU CD1 C 13 22.519 0.3 . 2 . . . . 101 LEU CD1 . 11061 1 1168 . 1 1 101 101 LEU CD2 C 13 26.576 0.3 . 2 . . . . 101 LEU CD2 . 11061 1 1169 . 1 1 101 101 LEU CG C 13 26.747 0.3 . 1 . . . . 101 LEU CG . 11061 1 1170 . 1 1 101 101 LEU N N 15 122.307 0.3 . 1 . . . . 101 LEU N . 11061 1 1171 . 1 1 102 102 SER H H 1 8.107 0.03 . 1 . . . . 102 SER H . 11061 1 1172 . 1 1 102 102 SER HA H 1 4.179 0.03 . 1 . . . . 102 SER HA . 11061 1 1173 . 1 1 102 102 SER HB2 H 1 3.953 0.03 . 2 . . . . 102 SER HB2 . 11061 1 1174 . 1 1 102 102 SER HB3 H 1 3.932 0.03 . 2 . . . . 102 SER HB3 . 11061 1 1175 . 1 1 102 102 SER C C 13 175.077 0.3 . 1 . . . . 102 SER C . 11061 1 1176 . 1 1 102 102 SER CA C 13 61.305 0.3 . 1 . . . . 102 SER CA . 11061 1 1177 . 1 1 102 102 SER CB C 13 63.257 0.3 . 1 . . . . 102 SER CB . 11061 1 1178 . 1 1 102 102 SER N N 15 111.740 0.3 . 1 . . . . 102 SER N . 11061 1 1179 . 1 1 103 103 LYS H H 1 7.038 0.03 . 1 . . . . 103 LYS H . 11061 1 1180 . 1 1 103 103 LYS HA H 1 4.529 0.03 . 1 . . . . 103 LYS HA . 11061 1 1181 . 1 1 103 103 LYS HB2 H 1 1.878 0.03 . 1 . . . . 103 LYS HB2 . 11061 1 1182 . 1 1 103 103 LYS HB3 H 1 1.878 0.03 . 1 . . . . 103 LYS HB3 . 11061 1 1183 . 1 1 103 103 LYS HD2 H 1 1.659 0.03 . 1 . . . . 103 LYS HD2 . 11061 1 1184 . 1 1 103 103 LYS HD3 H 1 1.659 0.03 . 1 . . . . 103 LYS HD3 . 11061 1 1185 . 1 1 103 103 LYS HE2 H 1 2.977 0.03 . 1 . . . . 103 LYS HE2 . 11061 1 1186 . 1 1 103 103 LYS HE3 H 1 2.977 0.03 . 1 . . . . 103 LYS HE3 . 11061 1 1187 . 1 1 103 103 LYS HG2 H 1 1.563 0.03 . 2 . . . . 103 LYS HG2 . 11061 1 1188 . 1 1 103 103 LYS HG3 H 1 1.476 0.03 . 2 . . . . 103 LYS HG3 . 11061 1 1189 . 1 1 103 103 LYS C C 13 176.204 0.3 . 1 . . . . 103 LYS C . 11061 1 1190 . 1 1 103 103 LYS CA C 13 56.087 0.3 . 1 . . . . 103 LYS CA . 11061 1 1191 . 1 1 103 103 LYS CB C 13 34.072 0.3 . 1 . . . . 103 LYS CB . 11061 1 1192 . 1 1 103 103 LYS CD C 13 29.306 0.3 . 1 . . . . 103 LYS CD . 11061 1 1193 . 1 1 103 103 LYS CE C 13 42.314 0.3 . 1 . . . . 103 LYS CE . 11061 1 1194 . 1 1 103 103 LYS CG C 13 24.470 0.3 . 1 . . . . 103 LYS CG . 11061 1 1195 . 1 1 103 103 LYS N N 15 116.481 0.3 . 1 . . . . 103 LYS N . 11061 1 1196 . 1 1 104 104 THR H H 1 7.411 0.03 . 1 . . . . 104 THR H . 11061 1 1197 . 1 1 104 104 THR HA H 1 4.326 0.03 . 1 . . . . 104 THR HA . 11061 1 1198 . 1 1 104 104 THR HB H 1 3.697 0.03 . 1 . . . . 104 THR HB . 11061 1 1199 . 1 1 104 104 THR HG21 H 1 0.206 0.03 . 1 . . . . 104 THR MG . 11061 1 1200 . 1 1 104 104 THR HG22 H 1 0.206 0.03 . 1 . . . . 104 THR MG . 11061 1 1201 . 1 1 104 104 THR HG23 H 1 0.206 0.03 . 1 . . . . 104 THR MG . 11061 1 1202 . 1 1 104 104 THR C C 13 173.921 0.3 . 1 . . . . 104 THR C . 11061 1 1203 . 1 1 104 104 THR CA C 13 60.955 0.3 . 1 . . . . 104 THR CA . 11061 1 1204 . 1 1 104 104 THR CB C 13 68.258 0.3 . 1 . . . . 104 THR CB . 11061 1 1205 . 1 1 104 104 THR CG2 C 13 21.853 0.3 . 1 . . . . 104 THR CG2 . 11061 1 1206 . 1 1 104 104 THR N N 15 118.444 0.3 . 1 . . . . 104 THR N . 11061 1 1207 . 1 1 105 105 LYS H H 1 8.637 0.03 . 1 . . . . 105 LYS H . 11061 1 1208 . 1 1 105 105 LYS HA H 1 4.314 0.03 . 1 . . . . 105 LYS HA . 11061 1 1209 . 1 1 105 105 LYS HB2 H 1 1.813 0.03 . 2 . . . . 105 LYS HB2 . 11061 1 1210 . 1 1 105 105 LYS HB3 H 1 1.962 0.03 . 2 . . . . 105 LYS HB3 . 11061 1 1211 . 1 1 105 105 LYS HD2 H 1 1.690 0.03 . 1 . . . . 105 LYS HD2 . 11061 1 1212 . 1 1 105 105 LYS HD3 H 1 1.690 0.03 . 1 . . . . 105 LYS HD3 . 11061 1 1213 . 1 1 105 105 LYS HE2 H 1 3.031 0.03 . 1 . . . . 105 LYS HE2 . 11061 1 1214 . 1 1 105 105 LYS HE3 H 1 3.031 0.03 . 1 . . . . 105 LYS HE3 . 11061 1 1215 . 1 1 105 105 LYS HG2 H 1 1.515 0.03 . 2 . . . . 105 LYS HG2 . 11061 1 1216 . 1 1 105 105 LYS HG3 H 1 1.478 0.03 . 2 . . . . 105 LYS HG3 . 11061 1 1217 . 1 1 105 105 LYS C C 13 176.881 0.3 . 1 . . . . 105 LYS C . 11061 1 1218 . 1 1 105 105 LYS CA C 13 57.624 0.3 . 1 . . . . 105 LYS CA . 11061 1 1219 . 1 1 105 105 LYS CB C 13 31.896 0.3 . 1 . . . . 105 LYS CB . 11061 1 1220 . 1 1 105 105 LYS CD C 13 28.764 0.3 . 1 . . . . 105 LYS CD . 11061 1 1221 . 1 1 105 105 LYS CE C 13 42.282 0.3 . 1 . . . . 105 LYS CE . 11061 1 1222 . 1 1 105 105 LYS CG C 13 24.953 0.3 . 1 . . . . 105 LYS CG . 11061 1 1223 . 1 1 105 105 LYS N N 15 123.507 0.3 . 1 . . . . 105 LYS N . 11061 1 1224 . 1 1 106 106 ASN H H 1 9.166 0.03 . 1 . . . . 106 ASN H . 11061 1 1225 . 1 1 106 106 ASN HA H 1 4.822 0.03 . 1 . . . . 106 ASN HA . 11061 1 1226 . 1 1 106 106 ASN HB2 H 1 2.952 0.03 . 2 . . . . 106 ASN HB2 . 11061 1 1227 . 1 1 106 106 ASN HB3 H 1 3.650 0.03 . 2 . . . . 106 ASN HB3 . 11061 1 1228 . 1 1 106 106 ASN HD21 H 1 8.445 0.03 . 2 . . . . 106 ASN HD21 . 11061 1 1229 . 1 1 106 106 ASN HD22 H 1 5.976 0.03 . 2 . . . . 106 ASN HD22 . 11061 1 1230 . 1 1 106 106 ASN C C 13 172.394 0.3 . 1 . . . . 106 ASN C . 11061 1 1231 . 1 1 106 106 ASN CA C 13 52.632 0.3 . 1 . . . . 106 ASN CA . 11061 1 1232 . 1 1 106 106 ASN CB C 13 35.909 0.3 . 1 . . . . 106 ASN CB . 11061 1 1233 . 1 1 106 106 ASN N N 15 114.655 0.3 . 1 . . . . 106 ASN N . 11061 1 1234 . 1 1 106 106 ASN ND2 N 15 113.605 0.3 . 1 . . . . 106 ASN ND2 . 11061 1 1235 . 1 1 107 107 LEU H H 1 7.218 0.03 . 1 . . . . 107 LEU H . 11061 1 1236 . 1 1 107 107 LEU HA H 1 5.254 0.03 . 1 . . . . 107 LEU HA . 11061 1 1237 . 1 1 107 107 LEU HB2 H 1 1.641 0.03 . 2 . . . . 107 LEU HB2 . 11061 1 1238 . 1 1 107 107 LEU HB3 H 1 0.822 0.03 . 2 . . . . 107 LEU HB3 . 11061 1 1239 . 1 1 107 107 LEU HD11 H 1 0.935 0.03 . 1 . . . . 107 LEU MD1 . 11061 1 1240 . 1 1 107 107 LEU HD12 H 1 0.935 0.03 . 1 . . . . 107 LEU MD1 . 11061 1 1241 . 1 1 107 107 LEU HD13 H 1 0.935 0.03 . 1 . . . . 107 LEU MD1 . 11061 1 1242 . 1 1 107 107 LEU HD21 H 1 0.653 0.03 . 1 . . . . 107 LEU MD2 . 11061 1 1243 . 1 1 107 107 LEU HD22 H 1 0.653 0.03 . 1 . . . . 107 LEU MD2 . 11061 1 1244 . 1 1 107 107 LEU HD23 H 1 0.653 0.03 . 1 . . . . 107 LEU MD2 . 11061 1 1245 . 1 1 107 107 LEU HG H 1 1.184 0.03 . 1 . . . . 107 LEU HG . 11061 1 1246 . 1 1 107 107 LEU C C 13 174.101 0.3 . 1 . . . . 107 LEU C . 11061 1 1247 . 1 1 107 107 LEU CA C 13 54.165 0.3 . 1 . . . . 107 LEU CA . 11061 1 1248 . 1 1 107 107 LEU CB C 13 44.211 0.3 . 1 . . . . 107 LEU CB . 11061 1 1249 . 1 1 107 107 LEU CD1 C 13 24.460 0.3 . 2 . . . . 107 LEU CD1 . 11061 1 1250 . 1 1 107 107 LEU CD2 C 13 26.935 0.3 . 2 . . . . 107 LEU CD2 . 11061 1 1251 . 1 1 107 107 LEU CG C 13 27.789 0.3 . 1 . . . . 107 LEU CG . 11061 1 1252 . 1 1 107 107 LEU N N 15 121.497 0.3 . 1 . . . . 107 LEU N . 11061 1 1253 . 1 1 108 108 ARG H H 1 8.591 0.03 . 1 . . . . 108 ARG H . 11061 1 1254 . 1 1 108 108 ARG HA H 1 4.723 0.03 . 1 . . . . 108 ARG HA . 11061 1 1255 . 1 1 108 108 ARG HB2 H 1 1.958 0.03 . 2 . . . . 108 ARG HB2 . 11061 1 1256 . 1 1 108 108 ARG HB3 H 1 1.903 0.03 . 2 . . . . 108 ARG HB3 . 11061 1 1257 . 1 1 108 108 ARG HD2 H 1 3.264 0.03 . 2 . . . . 108 ARG HD2 . 11061 1 1258 . 1 1 108 108 ARG HD3 H 1 3.189 0.03 . 2 . . . . 108 ARG HD3 . 11061 1 1259 . 1 1 108 108 ARG HG2 H 1 1.709 0.03 . 2 . . . . 108 ARG HG2 . 11061 1 1260 . 1 1 108 108 ARG HG3 H 1 1.626 0.03 . 2 . . . . 108 ARG HG3 . 11061 1 1261 . 1 1 108 108 ARG C C 13 173.526 0.3 . 1 . . . . 108 ARG C . 11061 1 1262 . 1 1 108 108 ARG CA C 13 54.437 0.3 . 1 . . . . 108 ARG CA . 11061 1 1263 . 1 1 108 108 ARG CB C 13 32.249 0.3 . 1 . . . . 108 ARG CB . 11061 1 1264 . 1 1 108 108 ARG CD C 13 43.520 0.3 . 1 . . . . 108 ARG CD . 11061 1 1265 . 1 1 108 108 ARG CG C 13 27.085 0.3 . 1 . . . . 108 ARG CG . 11061 1 1266 . 1 1 108 108 ARG N N 15 127.167 0.3 . 1 . . . . 108 ARG N . 11061 1 1267 . 1 1 109 109 LEU H H 1 9.051 0.03 . 1 . . . . 109 LEU H . 11061 1 1268 . 1 1 109 109 LEU HA H 1 5.078 0.03 . 1 . . . . 109 LEU HA . 11061 1 1269 . 1 1 109 109 LEU HB2 H 1 1.661 0.03 . 2 . . . . 109 LEU HB2 . 11061 1 1270 . 1 1 109 109 LEU HB3 H 1 0.640 0.03 . 2 . . . . 109 LEU HB3 . 11061 1 1271 . 1 1 109 109 LEU HD11 H 1 0.118 0.03 . 1 . . . . 109 LEU MD1 . 11061 1 1272 . 1 1 109 109 LEU HD12 H 1 0.118 0.03 . 1 . . . . 109 LEU MD1 . 11061 1 1273 . 1 1 109 109 LEU HD13 H 1 0.118 0.03 . 1 . . . . 109 LEU MD1 . 11061 1 1274 . 1 1 109 109 LEU HD21 H 1 -0.361 0.03 . 1 . . . . 109 LEU MD2 . 11061 1 1275 . 1 1 109 109 LEU HD22 H 1 -0.361 0.03 . 1 . . . . 109 LEU MD2 . 11061 1 1276 . 1 1 109 109 LEU HD23 H 1 -0.361 0.03 . 1 . . . . 109 LEU MD2 . 11061 1 1277 . 1 1 109 109 LEU HG H 1 0.818 0.03 . 1 . . . . 109 LEU HG . 11061 1 1278 . 1 1 109 109 LEU C C 13 172.976 0.3 . 1 . . . . 109 LEU C . 11061 1 1279 . 1 1 109 109 LEU CA C 13 53.622 0.3 . 1 . . . . 109 LEU CA . 11061 1 1280 . 1 1 109 109 LEU CB C 13 46.943 0.3 . 1 . . . . 109 LEU CB . 11061 1 1281 . 1 1 109 109 LEU CD1 C 13 27.107 0.3 . 2 . . . . 109 LEU CD1 . 11061 1 1282 . 1 1 109 109 LEU CD2 C 13 22.263 0.3 . 2 . . . . 109 LEU CD2 . 11061 1 1283 . 1 1 109 109 LEU CG C 13 27.260 0.3 . 1 . . . . 109 LEU CG . 11061 1 1284 . 1 1 109 109 LEU N N 15 126.849 0.3 . 1 . . . . 109 LEU N . 11061 1 1285 . 1 1 110 110 LEU H H 1 8.281 0.03 . 1 . . . . 110 LEU H . 11061 1 1286 . 1 1 110 110 LEU HA H 1 4.945 0.03 . 1 . . . . 110 LEU HA . 11061 1 1287 . 1 1 110 110 LEU HB2 H 1 1.759 0.03 . 2 . . . . 110 LEU HB2 . 11061 1 1288 . 1 1 110 110 LEU HB3 H 1 1.359 0.03 . 2 . . . . 110 LEU HB3 . 11061 1 1289 . 1 1 110 110 LEU HD11 H 1 0.770 0.03 . 1 . . . . 110 LEU MD1 . 11061 1 1290 . 1 1 110 110 LEU HD12 H 1 0.770 0.03 . 1 . . . . 110 LEU MD1 . 11061 1 1291 . 1 1 110 110 LEU HD13 H 1 0.770 0.03 . 1 . . . . 110 LEU MD1 . 11061 1 1292 . 1 1 110 110 LEU HD21 H 1 0.671 0.03 . 1 . . . . 110 LEU MD2 . 11061 1 1293 . 1 1 110 110 LEU HD22 H 1 0.671 0.03 . 1 . . . . 110 LEU MD2 . 11061 1 1294 . 1 1 110 110 LEU HD23 H 1 0.671 0.03 . 1 . . . . 110 LEU MD2 . 11061 1 1295 . 1 1 110 110 LEU HG H 1 1.276 0.03 . 1 . . . . 110 LEU HG . 11061 1 1296 . 1 1 110 110 LEU C C 13 173.420 0.3 . 1 . . . . 110 LEU C . 11061 1 1297 . 1 1 110 110 LEU CA C 13 53.583 0.3 . 1 . . . . 110 LEU CA . 11061 1 1298 . 1 1 110 110 LEU CB C 13 44.419 0.3 . 1 . . . . 110 LEU CB . 11061 1 1299 . 1 1 110 110 LEU CD1 C 13 26.338 0.3 . 2 . . . . 110 LEU CD1 . 11061 1 1300 . 1 1 110 110 LEU CD2 C 13 23.672 0.3 . 2 . . . . 110 LEU CD2 . 11061 1 1301 . 1 1 110 110 LEU CG C 13 28.002 0.3 . 1 . . . . 110 LEU CG . 11061 1 1302 . 1 1 110 110 LEU N N 15 131.020 0.3 . 1 . . . . 110 LEU N . 11061 1 1303 . 1 1 111 111 ILE H H 1 8.988 0.03 . 1 . . . . 111 ILE H . 11061 1 1304 . 1 1 111 111 ILE HA H 1 4.478 0.03 . 1 . . . . 111 ILE HA . 11061 1 1305 . 1 1 111 111 ILE HB H 1 1.703 0.03 . 1 . . . . 111 ILE HB . 11061 1 1306 . 1 1 111 111 ILE HD11 H 1 0.587 0.03 . 1 . . . . 111 ILE MD . 11061 1 1307 . 1 1 111 111 ILE HD12 H 1 0.587 0.03 . 1 . . . . 111 ILE MD . 11061 1 1308 . 1 1 111 111 ILE HD13 H 1 0.587 0.03 . 1 . . . . 111 ILE MD . 11061 1 1309 . 1 1 111 111 ILE HG12 H 1 1.123 0.03 . 2 . . . . 111 ILE HG12 . 11061 1 1310 . 1 1 111 111 ILE HG13 H 1 0.538 0.03 . 2 . . . . 111 ILE HG13 . 11061 1 1311 . 1 1 111 111 ILE HG21 H 1 0.834 0.03 . 1 . . . . 111 ILE MG . 11061 1 1312 . 1 1 111 111 ILE HG22 H 1 0.834 0.03 . 1 . . . . 111 ILE MG . 11061 1 1313 . 1 1 111 111 ILE HG23 H 1 0.834 0.03 . 1 . . . . 111 ILE MG . 11061 1 1314 . 1 1 111 111 ILE C C 13 173.008 0.3 . 1 . . . . 111 ILE C . 11061 1 1315 . 1 1 111 111 ILE CA C 13 61.212 0.3 . 1 . . . . 111 ILE CA . 11061 1 1316 . 1 1 111 111 ILE CB C 13 39.778 0.3 . 1 . . . . 111 ILE CB . 11061 1 1317 . 1 1 111 111 ILE CD1 C 13 14.138 0.3 . 1 . . . . 111 ILE CD1 . 11061 1 1318 . 1 1 111 111 ILE CG1 C 13 26.491 0.3 . 1 . . . . 111 ILE CG1 . 11061 1 1319 . 1 1 111 111 ILE CG2 C 13 18.291 0.3 . 1 . . . . 111 ILE CG2 . 11061 1 1320 . 1 1 111 111 ILE N N 15 124.991 0.3 . 1 . . . . 111 ILE N . 11061 1 1321 . 1 1 112 112 LEU H H 1 9.211 0.03 . 1 . . . . 112 LEU H . 11061 1 1322 . 1 1 112 112 LEU HA H 1 5.173 0.03 . 1 . . . . 112 LEU HA . 11061 1 1323 . 1 1 112 112 LEU HB2 H 1 1.024 0.03 . 2 . . . . 112 LEU HB2 . 11061 1 1324 . 1 1 112 112 LEU HB3 H 1 1.599 0.03 . 2 . . . . 112 LEU HB3 . 11061 1 1325 . 1 1 112 112 LEU HD11 H 1 0.644 0.03 . 1 . . . . 112 LEU MD1 . 11061 1 1326 . 1 1 112 112 LEU HD12 H 1 0.644 0.03 . 1 . . . . 112 LEU MD1 . 11061 1 1327 . 1 1 112 112 LEU HD13 H 1 0.644 0.03 . 1 . . . . 112 LEU MD1 . 11061 1 1328 . 1 1 112 112 LEU HD21 H 1 0.311 0.03 . 1 . . . . 112 LEU MD2 . 11061 1 1329 . 1 1 112 112 LEU HD22 H 1 0.311 0.03 . 1 . . . . 112 LEU MD2 . 11061 1 1330 . 1 1 112 112 LEU HD23 H 1 0.311 0.03 . 1 . . . . 112 LEU MD2 . 11061 1 1331 . 1 1 112 112 LEU HG H 1 1.183 0.03 . 1 . . . . 112 LEU HG . 11061 1 1332 . 1 1 112 112 LEU C C 13 176.450 0.3 . 1 . . . . 112 LEU C . 11061 1 1333 . 1 1 112 112 LEU CA C 13 53.704 0.3 . 1 . . . . 112 LEU CA . 11061 1 1334 . 1 1 112 112 LEU CB C 13 42.819 0.3 . 1 . . . . 112 LEU CB . 11061 1 1335 . 1 1 112 112 LEU CD1 C 13 26.671 0.3 . 2 . . . . 112 LEU CD1 . 11061 1 1336 . 1 1 112 112 LEU CD2 C 13 25.722 0.3 . 2 . . . . 112 LEU CD2 . 11061 1 1337 . 1 1 112 112 LEU CG C 13 28.768 0.3 . 1 . . . . 112 LEU CG . 11061 1 1338 . 1 1 112 112 LEU N N 15 128.757 0.3 . 1 . . . . 112 LEU N . 11061 1 1339 . 1 1 113 113 VAL H H 1 8.695 0.03 . 1 . . . . 113 VAL H . 11061 1 1340 . 1 1 113 113 VAL HA H 1 4.871 0.03 . 1 . . . . 113 VAL HA . 11061 1 1341 . 1 1 113 113 VAL HB H 1 1.864 0.03 . 1 . . . . 113 VAL HB . 11061 1 1342 . 1 1 113 113 VAL HG11 H 1 0.696 0.03 . 1 . . . . 113 VAL MG1 . 11061 1 1343 . 1 1 113 113 VAL HG12 H 1 0.696 0.03 . 1 . . . . 113 VAL MG1 . 11061 1 1344 . 1 1 113 113 VAL HG13 H 1 0.696 0.03 . 1 . . . . 113 VAL MG1 . 11061 1 1345 . 1 1 113 113 VAL HG21 H 1 0.635 0.03 . 1 . . . . 113 VAL MG2 . 11061 1 1346 . 1 1 113 113 VAL HG22 H 1 0.635 0.03 . 1 . . . . 113 VAL MG2 . 11061 1 1347 . 1 1 113 113 VAL HG23 H 1 0.635 0.03 . 1 . . . . 113 VAL MG2 . 11061 1 1348 . 1 1 113 113 VAL C C 13 176.450 0.3 . 1 . . . . 113 VAL C . 11061 1 1349 . 1 1 113 113 VAL CA C 13 59.087 0.3 . 1 . . . . 113 VAL CA . 11061 1 1350 . 1 1 113 113 VAL CB C 13 34.991 0.3 . 1 . . . . 113 VAL CB . 11061 1 1351 . 1 1 113 113 VAL CG1 C 13 21.238 0.3 . 2 . . . . 113 VAL CG1 . 11061 1 1352 . 1 1 113 113 VAL CG2 C 13 23.160 0.3 . 2 . . . . 113 VAL CG2 . 11061 1 1353 . 1 1 113 113 VAL N N 15 117.478 0.3 . 1 . . . . 113 VAL N . 11061 1 1354 . 1 1 114 114 SER H H 1 8.558 0.03 . 1 . . . . 114 SER H . 11061 1 1355 . 1 1 114 114 SER HA H 1 4.776 0.03 . 1 . . . . 114 SER HA . 11061 1 1356 . 1 1 114 114 SER HB2 H 1 4.567 0.03 . 2 . . . . 114 SER HB2 . 11061 1 1357 . 1 1 114 114 SER HB3 H 1 4.383 0.03 . 2 . . . . 114 SER HB3 . 11061 1 1358 . 1 1 114 114 SER CA C 13 60.779 0.3 . 1 . . . . 114 SER CA . 11061 1 1359 . 1 1 114 114 SER CB C 13 62.675 0.3 . 1 . . . . 114 SER CB . 11061 1 1360 . 1 1 114 114 SER N N 15 121.229 0.3 . 1 . . . . 114 SER N . 11061 1 1361 . 1 1 115 115 ARG H H 1 6.580 0.03 . 1 . . . . 115 ARG H . 11061 1 1362 . 1 1 115 115 ARG HA H 1 3.562 0.03 . 1 . . . . 115 ARG HA . 11061 1 1363 . 1 1 115 115 ARG HB2 H 1 1.658 0.03 . 2 . . . . 115 ARG HB2 . 11061 1 1364 . 1 1 115 115 ARG HB3 H 1 1.477 0.03 . 2 . . . . 115 ARG HB3 . 11061 1 1365 . 1 1 115 115 ARG HD2 H 1 3.417 0.03 . 2 . . . . 115 ARG HD2 . 11061 1 1366 . 1 1 115 115 ARG HD3 H 1 3.160 0.03 . 2 . . . . 115 ARG HD3 . 11061 1 1367 . 1 1 115 115 ARG HE H 1 7.296 0.03 . 1 . . . . 115 ARG HE . 11061 1 1368 . 1 1 115 115 ARG HG2 H 1 1.784 0.03 . 2 . . . . 115 ARG HG2 . 11061 1 1369 . 1 1 115 115 ARG HG3 H 1 1.463 0.03 . 2 . . . . 115 ARG HG3 . 11061 1 1370 . 1 1 115 115 ARG CA C 13 53.750 0.3 . 1 . . . . 115 ARG CA . 11061 1 1371 . 1 1 115 115 ARG CB C 13 33.988 0.3 . 1 . . . . 115 ARG CB . 11061 1 1372 . 1 1 115 115 ARG CD C 13 43.791 0.3 . 1 . . . . 115 ARG CD . 11061 1 1373 . 1 1 115 115 ARG CG C 13 26.675 0.3 . 1 . . . . 115 ARG CG . 11061 1 1374 . 1 1 115 115 ARG N N 15 108.660 0.3 . 1 . . . . 115 ARG N . 11061 1 1375 . 1 1 115 115 ARG NE N 15 81.940 0.3 . 1 . . . . 115 ARG NE . 11061 1 1376 . 1 1 116 116 LEU H H 1 5.107 0.03 . 1 . . . . 116 LEU H . 11061 1 1377 . 1 1 116 116 LEU HA H 1 4.559 0.03 . 1 . . . . 116 LEU HA . 11061 1 1378 . 1 1 116 116 LEU HB2 H 1 1.640 0.03 . 2 . . . . 116 LEU HB2 . 11061 1 1379 . 1 1 116 116 LEU HB3 H 1 1.543 0.03 . 2 . . . . 116 LEU HB3 . 11061 1 1380 . 1 1 116 116 LEU HD11 H 1 0.834 0.03 . 1 . . . . 116 LEU MD1 . 11061 1 1381 . 1 1 116 116 LEU HD12 H 1 0.834 0.03 . 1 . . . . 116 LEU MD1 . 11061 1 1382 . 1 1 116 116 LEU HD13 H 1 0.834 0.03 . 1 . . . . 116 LEU MD1 . 11061 1 1383 . 1 1 116 116 LEU HD21 H 1 0.817 0.03 . 1 . . . . 116 LEU MD2 . 11061 1 1384 . 1 1 116 116 LEU HD22 H 1 0.817 0.03 . 1 . . . . 116 LEU MD2 . 11061 1 1385 . 1 1 116 116 LEU HD23 H 1 0.817 0.03 . 1 . . . . 116 LEU MD2 . 11061 1 1386 . 1 1 116 116 LEU HG H 1 1.511 0.03 . 1 . . . . 116 LEU HG . 11061 1 1387 . 1 1 116 116 LEU CA C 13 53.514 0.3 . 1 . . . . 116 LEU CA . 11061 1 1388 . 1 1 116 116 LEU CB C 13 43.940 0.3 . 1 . . . . 116 LEU CB . 11061 1 1389 . 1 1 116 116 LEU CD1 C 13 25.479 0.3 . 2 . . . . 116 LEU CD1 . 11061 1 1390 . 1 1 116 116 LEU CD2 C 13 23.993 0.3 . 2 . . . . 116 LEU CD2 . 11061 1 1391 . 1 1 116 116 LEU CG C 13 26.869 0.3 . 1 . . . . 116 LEU CG . 11061 1 1392 . 1 1 116 116 LEU N N 15 118.809 0.3 . 1 . . . . 116 LEU N . 11061 1 1393 . 1 1 117 117 PHE H H 1 8.477 0.03 . 1 . . . . 117 PHE H . 11061 1 1394 . 1 1 117 117 PHE HA H 1 4.819 0.03 . 1 . . . . 117 PHE HA . 11061 1 1395 . 1 1 117 117 PHE HB2 H 1 3.125 0.03 . 2 . . . . 117 PHE HB2 . 11061 1 1396 . 1 1 117 117 PHE HB3 H 1 2.982 0.03 . 2 . . . . 117 PHE HB3 . 11061 1 1397 . 1 1 117 117 PHE HD1 H 1 7.174 0.03 . 1 . . . . 117 PHE HD1 . 11061 1 1398 . 1 1 117 117 PHE HD2 H 1 7.174 0.03 . 1 . . . . 117 PHE HD2 . 11061 1 1399 . 1 1 117 117 PHE HE1 H 1 7.348 0.03 . 1 . . . . 117 PHE HE1 . 11061 1 1400 . 1 1 117 117 PHE HE2 H 1 7.348 0.03 . 1 . . . . 117 PHE HE2 . 11061 1 1401 . 1 1 117 117 PHE HZ H 1 7.348 0.03 . 1 . . . . 117 PHE HZ . 11061 1 1402 . 1 1 117 117 PHE C C 13 174.006 0.3 . 1 . . . . 117 PHE C . 11061 1 1403 . 1 1 117 117 PHE CA C 13 56.889 0.3 . 1 . . . . 117 PHE CA . 11061 1 1404 . 1 1 117 117 PHE CB C 13 41.926 0.3 . 1 . . . . 117 PHE CB . 11061 1 1405 . 1 1 117 117 PHE CD1 C 13 131.937 0.3 . 1 . . . . 117 PHE CD1 . 11061 1 1406 . 1 1 117 117 PHE CD2 C 13 131.937 0.3 . 1 . . . . 117 PHE CD2 . 11061 1 1407 . 1 1 117 117 PHE CE1 C 13 131.761 0.3 . 1 . . . . 117 PHE CE1 . 11061 1 1408 . 1 1 117 117 PHE CE2 C 13 131.761 0.3 . 1 . . . . 117 PHE CE2 . 11061 1 1409 . 1 1 117 117 PHE CZ C 13 130.409 0.3 . 1 . . . . 117 PHE CZ . 11061 1 1410 . 1 1 118 118 MET H H 1 8.853 0.03 . 1 . . . . 118 MET H . 11061 1 1411 . 1 1 118 118 MET HA H 1 3.711 0.03 . 1 . . . . 118 MET HA . 11061 1 1412 . 1 1 118 118 MET HB2 H 1 2.023 0.03 . 2 . . . . 118 MET HB2 . 11061 1 1413 . 1 1 118 118 MET HB3 H 1 1.492 0.03 . 2 . . . . 118 MET HB3 . 11061 1 1414 . 1 1 118 118 MET HE1 H 1 1.961 0.03 . 1 . . . . 118 MET ME . 11061 1 1415 . 1 1 118 118 MET HE2 H 1 1.961 0.03 . 1 . . . . 118 MET ME . 11061 1 1416 . 1 1 118 118 MET HE3 H 1 1.961 0.03 . 1 . . . . 118 MET ME . 11061 1 1417 . 1 1 118 118 MET HG2 H 1 1.570 0.03 . 2 . . . . 118 MET HG2 . 11061 1 1418 . 1 1 118 118 MET HG3 H 1 1.198 0.03 . 2 . . . . 118 MET HG3 . 11061 1 1419 . 1 1 118 118 MET C C 13 175.526 0.3 . 1 . . . . 118 MET C . 11061 1 1420 . 1 1 118 118 MET CA C 13 56.684 0.3 . 1 . . . . 118 MET CA . 11061 1 1421 . 1 1 118 118 MET CB C 13 30.124 0.3 . 1 . . . . 118 MET CB . 11061 1 1422 . 1 1 118 118 MET CE C 13 17.010 0.3 . 1 . . . . 118 MET CE . 11061 1 1423 . 1 1 118 118 MET CG C 13 32.128 0.3 . 1 . . . . 118 MET CG . 11061 1 1424 . 1 1 118 118 MET N N 15 122.487 0.3 . 1 . . . . 118 MET N . 11061 1 1425 . 1 1 119 119 TRP H H 1 6.584 0.03 . 1 . . . . 119 TRP H . 11061 1 1426 . 1 1 119 119 TRP HA H 1 3.996 0.03 . 1 . . . . 119 TRP HA . 11061 1 1427 . 1 1 119 119 TRP HB2 H 1 2.789 0.03 . 2 . . . . 119 TRP HB2 . 11061 1 1428 . 1 1 119 119 TRP HB3 H 1 3.515 0.03 . 2 . . . . 119 TRP HB3 . 11061 1 1429 . 1 1 119 119 TRP HD1 H 1 7.446 0.03 . 1 . . . . 119 TRP HD1 . 11061 1 1430 . 1 1 119 119 TRP HE1 H 1 10.594 0.03 . 1 . . . . 119 TRP HE1 . 11061 1 1431 . 1 1 119 119 TRP HE3 H 1 7.351 0.03 . 1 . . . . 119 TRP HE3 . 11061 1 1432 . 1 1 119 119 TRP HH2 H 1 7.290 0.03 . 1 . . . . 119 TRP HH2 . 11061 1 1433 . 1 1 119 119 TRP HZ2 H 1 7.613 0.03 . 1 . . . . 119 TRP HZ2 . 11061 1 1434 . 1 1 119 119 TRP HZ3 H 1 7.197 0.03 . 1 . . . . 119 TRP HZ3 . 11061 1 1435 . 1 1 119 119 TRP C C 13 175.621 0.3 . 1 . . . . 119 TRP C . 11061 1 1436 . 1 1 119 119 TRP CA C 13 58.664 0.3 . 1 . . . . 119 TRP CA . 11061 1 1437 . 1 1 119 119 TRP CB C 13 29.112 0.3 . 1 . . . . 119 TRP CB . 11061 1 1438 . 1 1 119 119 TRP CD1 C 13 126.878 0.3 . 1 . . . . 119 TRP CD1 . 11061 1 1439 . 1 1 119 119 TRP CE3 C 13 120.650 0.3 . 1 . . . . 119 TRP CE3 . 11061 1 1440 . 1 1 119 119 TRP CH2 C 13 124.888 0.3 . 1 . . . . 119 TRP CH2 . 11061 1 1441 . 1 1 119 119 TRP CZ2 C 13 115.220 0.3 . 1 . . . . 119 TRP CZ2 . 11061 1 1442 . 1 1 119 119 TRP CZ3 C 13 122.488 0.3 . 1 . . . . 119 TRP CZ3 . 11061 1 1443 . 1 1 119 119 TRP N N 15 112.177 0.3 . 1 . . . . 119 TRP N . 11061 1 1444 . 1 1 119 119 TRP NE1 N 15 130.270 0.3 . 1 . . . . 119 TRP NE1 . 11061 1 1445 . 1 1 120 120 GLU H H 1 8.174 0.03 . 1 . . . . 120 GLU H . 11061 1 1446 . 1 1 120 120 GLU HA H 1 3.683 0.03 . 1 . . . . 120 GLU HA . 11061 1 1447 . 1 1 120 120 GLU HB2 H 1 1.325 0.03 . 2 . . . . 120 GLU HB2 . 11061 1 1448 . 1 1 120 120 GLU HB3 H 1 1.484 0.03 . 2 . . . . 120 GLU HB3 . 11061 1 1449 . 1 1 120 120 GLU HG2 H 1 0.859 0.03 . 2 . . . . 120 GLU HG2 . 11061 1 1450 . 1 1 120 120 GLU HG3 H 1 1.450 0.03 . 2 . . . . 120 GLU HG3 . 11061 1 1451 . 1 1 120 120 GLU C C 13 177.221 0.3 . 1 . . . . 120 GLU C . 11061 1 1452 . 1 1 120 120 GLU CA C 13 57.311 0.3 . 1 . . . . 120 GLU CA . 11061 1 1453 . 1 1 120 120 GLU CB C 13 29.345 0.3 . 1 . . . . 120 GLU CB . 11061 1 1454 . 1 1 120 120 GLU CG C 13 35.772 0.3 . 1 . . . . 120 GLU CG . 11061 1 1455 . 1 1 120 120 GLU N N 15 118.388 0.3 . 1 . . . . 120 GLU N . 11061 1 1456 . 1 1 121 121 GLU H H 1 7.724 0.03 . 1 . . . . 121 GLU H . 11061 1 1457 . 1 1 121 121 GLU HA H 1 4.551 0.03 . 1 . . . . 121 GLU HA . 11061 1 1458 . 1 1 121 121 GLU HB2 H 1 2.087 0.03 . 2 . . . . 121 GLU HB2 . 11061 1 1459 . 1 1 121 121 GLU HB3 H 1 2.286 0.03 . 2 . . . . 121 GLU HB3 . 11061 1 1460 . 1 1 121 121 GLU HG2 H 1 2.333 0.03 . 2 . . . . 121 GLU HG2 . 11061 1 1461 . 1 1 121 121 GLU HG3 H 1 2.215 0.03 . 2 . . . . 121 GLU HG3 . 11061 1 1462 . 1 1 121 121 GLU C C 13 176.038 0.3 . 1 . . . . 121 GLU C . 11061 1 1463 . 1 1 121 121 GLU CA C 13 53.637 0.3 . 1 . . . . 121 GLU CA . 11061 1 1464 . 1 1 121 121 GLU CB C 13 29.566 0.3 . 1 . . . . 121 GLU CB . 11061 1 1465 . 1 1 121 121 GLU CG C 13 36.235 0.3 . 1 . . . . 121 GLU CG . 11061 1 1466 . 1 1 121 121 GLU N N 15 121.866 0.3 . 1 . . . . 121 GLU N . 11061 1 1467 . 1 1 122 122 PRO HA H 1 4.130 0.03 . 1 . . . . 122 PRO HA . 11061 1 1468 . 1 1 122 122 PRO HB2 H 1 2.024 0.03 . 2 . . . . 122 PRO HB2 . 11061 1 1469 . 1 1 122 122 PRO HB3 H 1 2.413 0.03 . 2 . . . . 122 PRO HB3 . 11061 1 1470 . 1 1 122 122 PRO HD2 H 1 3.941 0.03 . 2 . . . . 122 PRO HD2 . 11061 1 1471 . 1 1 122 122 PRO HD3 H 1 4.149 0.03 . 2 . . . . 122 PRO HD3 . 11061 1 1472 . 1 1 122 122 PRO HG2 H 1 2.049 0.03 . 2 . . . . 122 PRO HG2 . 11061 1 1473 . 1 1 122 122 PRO HG3 H 1 2.225 0.03 . 2 . . . . 122 PRO HG3 . 11061 1 1474 . 1 1 122 122 PRO C C 13 179.326 0.3 . 1 . . . . 122 PRO C . 11061 1 1475 . 1 1 122 122 PRO CA C 13 66.034 0.3 . 1 . . . . 122 PRO CA . 11061 1 1476 . 1 1 122 122 PRO CB C 13 32.354 0.3 . 1 . . . . 122 PRO CB . 11061 1 1477 . 1 1 122 122 PRO CD C 13 51.346 0.3 . 1 . . . . 122 PRO CD . 11061 1 1478 . 1 1 122 122 PRO CG C 13 27.772 0.3 . 1 . . . . 122 PRO CG . 11061 1 1479 . 1 1 123 123 GLU H H 1 9.534 0.03 . 1 . . . . 123 GLU H . 11061 1 1480 . 1 1 123 123 GLU HA H 1 4.169 0.03 . 1 . . . . 123 GLU HA . 11061 1 1481 . 1 1 123 123 GLU HB2 H 1 2.115 0.03 . 2 . . . . 123 GLU HB2 . 11061 1 1482 . 1 1 123 123 GLU HB3 H 1 2.035 0.03 . 2 . . . . 123 GLU HB3 . 11061 1 1483 . 1 1 123 123 GLU HG2 H 1 2.331 0.03 . 1 . . . . 123 GLU HG2 . 11061 1 1484 . 1 1 123 123 GLU HG3 H 1 2.331 0.03 . 1 . . . . 123 GLU HG3 . 11061 1 1485 . 1 1 123 123 GLU C C 13 179.673 0.3 . 1 . . . . 123 GLU C . 11061 1 1486 . 1 1 123 123 GLU CA C 13 59.802 0.3 . 1 . . . . 123 GLU CA . 11061 1 1487 . 1 1 123 123 GLU CB C 13 29.438 0.3 . 1 . . . . 123 GLU CB . 11061 1 1488 . 1 1 123 123 GLU CG C 13 36.765 0.3 . 1 . . . . 123 GLU CG . 11061 1 1489 . 1 1 123 123 GLU N N 15 117.316 0.3 . 1 . . . . 123 GLU N . 11061 1 1490 . 1 1 124 124 VAL H H 1 7.221 0.03 . 1 . . . . 124 VAL H . 11061 1 1491 . 1 1 124 124 VAL HA H 1 3.677 0.03 . 1 . . . . 124 VAL HA . 11061 1 1492 . 1 1 124 124 VAL HB H 1 2.484 0.03 . 1 . . . . 124 VAL HB . 11061 1 1493 . 1 1 124 124 VAL HG11 H 1 1.001 0.03 . 1 . . . . 124 VAL MG1 . 11061 1 1494 . 1 1 124 124 VAL HG12 H 1 1.001 0.03 . 1 . . . . 124 VAL MG1 . 11061 1 1495 . 1 1 124 124 VAL HG13 H 1 1.001 0.03 . 1 . . . . 124 VAL MG1 . 11061 1 1496 . 1 1 124 124 VAL HG21 H 1 1.114 0.03 . 1 . . . . 124 VAL MG2 . 11061 1 1497 . 1 1 124 124 VAL HG22 H 1 1.114 0.03 . 1 . . . . 124 VAL MG2 . 11061 1 1498 . 1 1 124 124 VAL HG23 H 1 1.114 0.03 . 1 . . . . 124 VAL MG2 . 11061 1 1499 . 1 1 124 124 VAL C C 13 177.709 0.3 . 1 . . . . 124 VAL C . 11061 1 1500 . 1 1 124 124 VAL CA C 13 66.465 0.3 . 1 . . . . 124 VAL CA . 11061 1 1501 . 1 1 124 124 VAL CB C 13 31.902 0.3 . 1 . . . . 124 VAL CB . 11061 1 1502 . 1 1 124 124 VAL CG1 C 13 21.494 0.3 . 2 . . . . 124 VAL CG1 . 11061 1 1503 . 1 1 124 124 VAL CG2 C 13 23.655 0.3 . 2 . . . . 124 VAL CG2 . 11061 1 1504 . 1 1 124 124 VAL N N 15 121.988 0.3 . 1 . . . . 124 VAL N . 11061 1 1505 . 1 1 125 125 GLN H H 1 8.028 0.03 . 1 . . . . 125 GLN H . 11061 1 1506 . 1 1 125 125 GLN HA H 1 3.810 0.03 . 1 . . . . 125 GLN HA . 11061 1 1507 . 1 1 125 125 GLN HB2 H 1 2.134 0.03 . 2 . . . . 125 GLN HB2 . 11061 1 1508 . 1 1 125 125 GLN HB3 H 1 2.203 0.03 . 2 . . . . 125 GLN HB3 . 11061 1 1509 . 1 1 125 125 GLN HE21 H 1 8.302 0.03 . 2 . . . . 125 GLN HE21 . 11061 1 1510 . 1 1 125 125 GLN HE22 H 1 6.923 0.03 . 2 . . . . 125 GLN HE22 . 11061 1 1511 . 1 1 125 125 GLN HG2 H 1 2.832 0.03 . 2 . . . . 125 GLN HG2 . 11061 1 1512 . 1 1 125 125 GLN HG3 H 1 2.416 0.03 . 2 . . . . 125 GLN HG3 . 11061 1 1513 . 1 1 125 125 GLN C C 13 178.320 0.3 . 1 . . . . 125 GLN C . 11061 1 1514 . 1 1 125 125 GLN CA C 13 60.374 0.3 . 1 . . . . 125 GLN CA . 11061 1 1515 . 1 1 125 125 GLN CB C 13 27.441 0.3 . 1 . . . . 125 GLN CB . 11061 1 1516 . 1 1 125 125 GLN CG C 13 33.552 0.3 . 1 . . . . 125 GLN CG . 11061 1 1517 . 1 1 125 125 GLN N N 15 118.422 0.3 . 1 . . . . 125 GLN N . 11061 1 1518 . 1 1 125 125 GLN NE2 N 15 110.140 0.3 . 1 . . . . 125 GLN NE2 . 11061 1 1519 . 1 1 126 126 ALA H H 1 8.220 0.03 . 1 . . . . 126 ALA H . 11061 1 1520 . 1 1 126 126 ALA HA H 1 4.068 0.03 . 1 . . . . 126 ALA HA . 11061 1 1521 . 1 1 126 126 ALA HB1 H 1 1.476 0.03 . 1 . . . . 126 ALA MB . 11061 1 1522 . 1 1 126 126 ALA HB2 H 1 1.476 0.03 . 1 . . . . 126 ALA MB . 11061 1 1523 . 1 1 126 126 ALA HB3 H 1 1.476 0.03 . 1 . . . . 126 ALA MB . 11061 1 1524 . 1 1 126 126 ALA C C 13 180.034 0.3 . 1 . . . . 126 ALA C . 11061 1 1525 . 1 1 126 126 ALA CA C 13 55.062 0.3 . 1 . . . . 126 ALA CA . 11061 1 1526 . 1 1 126 126 ALA CB C 13 18.364 0.3 . 1 . . . . 126 ALA CB . 11061 1 1527 . 1 1 126 126 ALA N N 15 117.945 0.3 . 1 . . . . 126 ALA N . 11061 1 1528 . 1 1 127 127 ALA H H 1 7.567 0.03 . 1 . . . . 127 ALA H . 11061 1 1529 . 1 1 127 127 ALA HA H 1 4.065 0.03 . 1 . . . . 127 ALA HA . 11061 1 1530 . 1 1 127 127 ALA HB1 H 1 1.577 0.03 . 1 . . . . 127 ALA MB . 11061 1 1531 . 1 1 127 127 ALA HB2 H 1 1.577 0.03 . 1 . . . . 127 ALA MB . 11061 1 1532 . 1 1 127 127 ALA HB3 H 1 1.577 0.03 . 1 . . . . 127 ALA MB . 11061 1 1533 . 1 1 127 127 ALA C C 13 180.128 0.3 . 1 . . . . 127 ALA C . 11061 1 1534 . 1 1 127 127 ALA CA C 13 55.318 0.3 . 1 . . . . 127 ALA CA . 11061 1 1535 . 1 1 127 127 ALA CB C 13 18.359 0.3 . 1 . . . . 127 ALA CB . 11061 1 1536 . 1 1 127 127 ALA N N 15 121.009 0.3 . 1 . . . . 127 ALA N . 11061 1 1537 . 1 1 128 128 LEU H H 1 8.428 0.03 . 1 . . . . 128 LEU H . 11061 1 1538 . 1 1 128 128 LEU HA H 1 4.017 0.03 . 1 . . . . 128 LEU HA . 11061 1 1539 . 1 1 128 128 LEU HB2 H 1 1.213 0.03 . 2 . . . . 128 LEU HB2 . 11061 1 1540 . 1 1 128 128 LEU HB3 H 1 2.047 0.03 . 2 . . . . 128 LEU HB3 . 11061 1 1541 . 1 1 128 128 LEU HD11 H 1 0.925 0.03 . 1 . . . . 128 LEU MD1 . 11061 1 1542 . 1 1 128 128 LEU HD12 H 1 0.925 0.03 . 1 . . . . 128 LEU MD1 . 11061 1 1543 . 1 1 128 128 LEU HD13 H 1 0.925 0.03 . 1 . . . . 128 LEU MD1 . 11061 1 1544 . 1 1 128 128 LEU HD21 H 1 0.849 0.03 . 1 . . . . 128 LEU MD2 . 11061 1 1545 . 1 1 128 128 LEU HD22 H 1 0.849 0.03 . 1 . . . . 128 LEU MD2 . 11061 1 1546 . 1 1 128 128 LEU HD23 H 1 0.849 0.03 . 1 . . . . 128 LEU MD2 . 11061 1 1547 . 1 1 128 128 LEU HG H 1 2.145 0.03 . 1 . . . . 128 LEU HG . 11061 1 1548 . 1 1 128 128 LEU C C 13 179.040 0.3 . 1 . . . . 128 LEU C . 11061 1 1549 . 1 1 128 128 LEU CA C 13 58.454 0.3 . 1 . . . . 128 LEU CA . 11061 1 1550 . 1 1 128 128 LEU CB C 13 41.409 0.3 . 1 . . . . 128 LEU CB . 11061 1 1551 . 1 1 128 128 LEU CD1 C 13 25.722 0.3 . 2 . . . . 128 LEU CD1 . 11061 1 1552 . 1 1 128 128 LEU CD2 C 13 21.643 0.3 . 2 . . . . 128 LEU CD2 . 11061 1 1553 . 1 1 128 128 LEU CG C 13 26.823 0.3 . 1 . . . . 128 LEU CG . 11061 1 1554 . 1 1 128 128 LEU N N 15 117.731 0.3 . 1 . . . . 128 LEU N . 11061 1 1555 . 1 1 129 129 LYS H H 1 7.865 0.03 . 1 . . . . 129 LYS H . 11061 1 1556 . 1 1 129 129 LYS HA H 1 3.869 0.03 . 1 . . . . 129 LYS HA . 11061 1 1557 . 1 1 129 129 LYS HB2 H 1 1.969 0.03 . 2 . . . . 129 LYS HB2 . 11061 1 1558 . 1 1 129 129 LYS HB3 H 1 1.893 0.03 . 2 . . . . 129 LYS HB3 . 11061 1 1559 . 1 1 129 129 LYS HD2 H 1 1.762 0.03 . 1 . . . . 129 LYS HD2 . 11061 1 1560 . 1 1 129 129 LYS HD3 H 1 1.762 0.03 . 1 . . . . 129 LYS HD3 . 11061 1 1561 . 1 1 129 129 LYS HE2 H 1 3.014 0.03 . 1 . . . . 129 LYS HE2 . 11061 1 1562 . 1 1 129 129 LYS HE3 H 1 3.014 0.03 . 1 . . . . 129 LYS HE3 . 11061 1 1563 . 1 1 129 129 LYS HG2 H 1 1.640 0.03 . 2 . . . . 129 LYS HG2 . 11061 1 1564 . 1 1 129 129 LYS HG3 H 1 1.512 0.03 . 2 . . . . 129 LYS HG3 . 11061 1 1565 . 1 1 129 129 LYS C C 13 179.370 0.3 . 1 . . . . 129 LYS C . 11061 1 1566 . 1 1 129 129 LYS CA C 13 60.559 0.3 . 1 . . . . 129 LYS CA . 11061 1 1567 . 1 1 129 129 LYS CB C 13 32.769 0.3 . 1 . . . . 129 LYS CB . 11061 1 1568 . 1 1 129 129 LYS CD C 13 29.827 0.3 . 1 . . . . 129 LYS CD . 11061 1 1569 . 1 1 129 129 LYS CE C 13 42.321 0.3 . 1 . . . . 129 LYS CE . 11061 1 1570 . 1 1 129 129 LYS CG C 13 26.289 0.3 . 1 . . . . 129 LYS CG . 11061 1 1571 . 1 1 129 129 LYS N N 15 118.479 0.3 . 1 . . . . 129 LYS N . 11061 1 1572 . 1 1 130 130 LYS H H 1 8.132 0.03 . 1 . . . . 130 LYS H . 11061 1 1573 . 1 1 130 130 LYS HA H 1 4.010 0.03 . 1 . . . . 130 LYS HA . 11061 1 1574 . 1 1 130 130 LYS HB2 H 1 1.862 0.03 . 2 . . . . 130 LYS HB2 . 11061 1 1575 . 1 1 130 130 LYS HB3 H 1 1.970 0.03 . 2 . . . . 130 LYS HB3 . 11061 1 1576 . 1 1 130 130 LYS HD2 H 1 1.674 0.03 . 2 . . . . 130 LYS HD2 . 11061 1 1577 . 1 1 130 130 LYS HD3 H 1 1.611 0.03 . 2 . . . . 130 LYS HD3 . 11061 1 1578 . 1 1 130 130 LYS HE2 H 1 2.902 0.03 . 1 . . . . 130 LYS HE2 . 11061 1 1579 . 1 1 130 130 LYS HE3 H 1 2.902 0.03 . 1 . . . . 130 LYS HE3 . 11061 1 1580 . 1 1 130 130 LYS HG2 H 1 1.500 0.03 . 2 . . . . 130 LYS HG2 . 11061 1 1581 . 1 1 130 130 LYS HG3 H 1 1.709 0.03 . 2 . . . . 130 LYS HG3 . 11061 1 1582 . 1 1 130 130 LYS C C 13 179.974 0.3 . 1 . . . . 130 LYS C . 11061 1 1583 . 1 1 130 130 LYS CA C 13 59.930 0.3 . 1 . . . . 130 LYS CA . 11061 1 1584 . 1 1 130 130 LYS CB C 13 32.769 0.3 . 1 . . . . 130 LYS CB . 11061 1 1585 . 1 1 130 130 LYS CD C 13 29.459 0.3 . 1 . . . . 130 LYS CD . 11061 1 1586 . 1 1 130 130 LYS CE C 13 42.250 0.3 . 1 . . . . 130 LYS CE . 11061 1 1587 . 1 1 130 130 LYS CG C 13 26.235 0.3 . 1 . . . . 130 LYS CG . 11061 1 1588 . 1 1 130 130 LYS N N 15 118.966 0.3 . 1 . . . . 130 LYS N . 11061 1 1589 . 1 1 131 131 LEU H H 1 8.121 0.03 . 1 . . . . 131 LEU H . 11061 1 1590 . 1 1 131 131 LEU HA H 1 3.922 0.03 . 1 . . . . 131 LEU HA . 11061 1 1591 . 1 1 131 131 LEU HB2 H 1 2.243 0.03 . 2 . . . . 131 LEU HB2 . 11061 1 1592 . 1 1 131 131 LEU HB3 H 1 1.276 0.03 . 2 . . . . 131 LEU HB3 . 11061 1 1593 . 1 1 131 131 LEU HD11 H 1 0.856 0.03 . 1 . . . . 131 LEU MD1 . 11061 1 1594 . 1 1 131 131 LEU HD12 H 1 0.856 0.03 . 1 . . . . 131 LEU MD1 . 11061 1 1595 . 1 1 131 131 LEU HD13 H 1 0.856 0.03 . 1 . . . . 131 LEU MD1 . 11061 1 1596 . 1 1 131 131 LEU HD21 H 1 0.876 0.03 . 1 . . . . 131 LEU MD2 . 11061 1 1597 . 1 1 131 131 LEU HD22 H 1 0.876 0.03 . 1 . . . . 131 LEU MD2 . 11061 1 1598 . 1 1 131 131 LEU HD23 H 1 0.876 0.03 . 1 . . . . 131 LEU MD2 . 11061 1 1599 . 1 1 131 131 LEU HG H 1 1.921 0.03 . 1 . . . . 131 LEU HG . 11061 1 1600 . 1 1 131 131 LEU C C 13 178.260 0.3 . 1 . . . . 131 LEU C . 11061 1 1601 . 1 1 131 131 LEU CA C 13 58.454 0.3 . 1 . . . . 131 LEU CA . 11061 1 1602 . 1 1 131 131 LEU CB C 13 41.270 0.3 . 1 . . . . 131 LEU CB . 11061 1 1603 . 1 1 131 131 LEU CD1 C 13 25.338 0.3 . 2 . . . . 131 LEU CD1 . 11061 1 1604 . 1 1 131 131 LEU CD2 C 13 23.416 0.3 . 2 . . . . 131 LEU CD2 . 11061 1 1605 . 1 1 131 131 LEU CG C 13 26.776 0.3 . 1 . . . . 131 LEU CG . 11061 1 1606 . 1 1 131 131 LEU N N 15 119.867 0.3 . 1 . . . . 131 LEU N . 11061 1 1607 . 1 1 132 132 LYS H H 1 7.694 0.03 . 1 . . . . 132 LYS H . 11061 1 1608 . 1 1 132 132 LYS HA H 1 4.375 0.03 . 1 . . . . 132 LYS HA . 11061 1 1609 . 1 1 132 132 LYS HB2 H 1 1.993 0.03 . 2 . . . . 132 LYS HB2 . 11061 1 1610 . 1 1 132 132 LYS HB3 H 1 2.138 0.03 . 2 . . . . 132 LYS HB3 . 11061 1 1611 . 1 1 132 132 LYS HD2 H 1 1.869 0.03 . 2 . . . . 132 LYS HD2 . 11061 1 1612 . 1 1 132 132 LYS HD3 H 1 1.726 0.03 . 2 . . . . 132 LYS HD3 . 11061 1 1613 . 1 1 132 132 LYS HE2 H 1 3.062 0.03 . 1 . . . . 132 LYS HE2 . 11061 1 1614 . 1 1 132 132 LYS HE3 H 1 3.062 0.03 . 1 . . . . 132 LYS HE3 . 11061 1 1615 . 1 1 132 132 LYS HG2 H 1 1.459 0.03 . 2 . . . . 132 LYS HG2 . 11061 1 1616 . 1 1 132 132 LYS HG3 H 1 1.645 0.03 . 2 . . . . 132 LYS HG3 . 11061 1 1617 . 1 1 132 132 LYS C C 13 181.329 0.3 . 1 . . . . 132 LYS C . 11061 1 1618 . 1 1 132 132 LYS CA C 13 59.213 0.3 . 1 . . . . 132 LYS CA . 11061 1 1619 . 1 1 132 132 LYS CB C 13 32.246 0.3 . 1 . . . . 132 LYS CB . 11061 1 1620 . 1 1 132 132 LYS CD C 13 30.325 0.3 . 1 . . . . 132 LYS CD . 11061 1 1621 . 1 1 132 132 LYS CE C 13 42.517 0.3 . 1 . . . . 132 LYS CE . 11061 1 1622 . 1 1 132 132 LYS CG C 13 24.809 0.3 . 1 . . . . 132 LYS CG . 11061 1 1623 . 1 1 132 132 LYS N N 15 120.847 0.3 . 1 . . . . 132 LYS N . 11061 1 1624 . 1 1 133 133 GLU H H 1 8.367 0.03 . 1 . . . . 133 GLU H . 11061 1 1625 . 1 1 133 133 GLU HA H 1 4.053 0.03 . 1 . . . . 133 GLU HA . 11061 1 1626 . 1 1 133 133 GLU HB2 H 1 2.135 0.03 . 1 . . . . 133 GLU HB2 . 11061 1 1627 . 1 1 133 133 GLU HB3 H 1 2.135 0.03 . 1 . . . . 133 GLU HB3 . 11061 1 1628 . 1 1 133 133 GLU HG2 H 1 2.471 0.03 . 2 . . . . 133 GLU HG2 . 11061 1 1629 . 1 1 133 133 GLU HG3 H 1 2.342 0.03 . 2 . . . . 133 GLU HG3 . 11061 1 1630 . 1 1 133 133 GLU C C 13 177.407 0.3 . 1 . . . . 133 GLU C . 11061 1 1631 . 1 1 133 133 GLU CA C 13 59.038 0.3 . 1 . . . . 133 GLU CA . 11061 1 1632 . 1 1 133 133 GLU CB C 13 29.438 0.3 . 1 . . . . 133 GLU CB . 11061 1 1633 . 1 1 133 133 GLU CG C 13 36.593 0.3 . 1 . . . . 133 GLU CG . 11061 1 1634 . 1 1 133 133 GLU N N 15 121.335 0.3 . 1 . . . . 133 GLU N . 11061 1 1635 . 1 1 134 134 ALA H H 1 7.677 0.03 . 1 . . . . 134 ALA H . 11061 1 1636 . 1 1 134 134 ALA HA H 1 4.375 0.03 . 1 . . . . 134 ALA HA . 11061 1 1637 . 1 1 134 134 ALA HB1 H 1 1.461 0.03 . 1 . . . . 134 ALA MB . 11061 1 1638 . 1 1 134 134 ALA HB2 H 1 1.461 0.03 . 1 . . . . 134 ALA MB . 11061 1 1639 . 1 1 134 134 ALA HB3 H 1 1.461 0.03 . 1 . . . . 134 ALA MB . 11061 1 1640 . 1 1 134 134 ALA C C 13 177.287 0.3 . 1 . . . . 134 ALA C . 11061 1 1641 . 1 1 134 134 ALA CA C 13 52.234 0.3 . 1 . . . . 134 ALA CA . 11061 1 1642 . 1 1 134 134 ALA CB C 13 19.655 0.3 . 1 . . . . 134 ALA CB . 11061 1 1643 . 1 1 134 134 ALA N N 15 119.537 0.3 . 1 . . . . 134 ALA N . 11061 1 1644 . 1 1 135 135 GLY H H 1 7.832 0.03 . 1 . . . . 135 GLY H . 11061 1 1645 . 1 1 135 135 GLY HA2 H 1 3.715 0.03 . 2 . . . . 135 GLY HA2 . 11061 1 1646 . 1 1 135 135 GLY HA3 H 1 4.359 0.03 . 2 . . . . 135 GLY HA3 . 11061 1 1647 . 1 1 135 135 GLY C C 13 174.989 0.3 . 1 . . . . 135 GLY C . 11061 1 1648 . 1 1 135 135 GLY CA C 13 45.085 0.3 . 1 . . . . 135 GLY CA . 11061 1 1649 . 1 1 135 135 GLY N N 15 104.976 0.3 . 1 . . . . 135 GLY N . 11061 1 1650 . 1 1 136 136 CYS H H 1 8.052 0.03 . 1 . . . . 136 CYS H . 11061 1 1651 . 1 1 136 136 CYS HA H 1 4.405 0.03 . 1 . . . . 136 CYS HA . 11061 1 1652 . 1 1 136 136 CYS HB2 H 1 2.281 0.03 . 2 . . . . 136 CYS HB2 . 11061 1 1653 . 1 1 136 136 CYS HB3 H 1 2.543 0.03 . 2 . . . . 136 CYS HB3 . 11061 1 1654 . 1 1 136 136 CYS C C 13 174.031 0.3 . 1 . . . . 136 CYS C . 11061 1 1655 . 1 1 136 136 CYS CA C 13 59.253 0.3 . 1 . . . . 136 CYS CA . 11061 1 1656 . 1 1 136 136 CYS CB C 13 28.004 0.3 . 1 . . . . 136 CYS CB . 11061 1 1657 . 1 1 136 136 CYS N N 15 122.839 0.3 . 1 . . . . 136 CYS N . 11061 1 1658 . 1 1 137 137 LYS H H 1 8.237 0.03 . 1 . . . . 137 LYS H . 11061 1 1659 . 1 1 137 137 LYS HA H 1 4.521 0.03 . 1 . . . . 137 LYS HA . 11061 1 1660 . 1 1 137 137 LYS HB2 H 1 1.700 0.03 . 2 . . . . 137 LYS HB2 . 11061 1 1661 . 1 1 137 137 LYS HB3 H 1 1.813 0.03 . 2 . . . . 137 LYS HB3 . 11061 1 1662 . 1 1 137 137 LYS HD2 H 1 1.656 0.03 . 1 . . . . 137 LYS HD2 . 11061 1 1663 . 1 1 137 137 LYS HD3 H 1 1.656 0.03 . 1 . . . . 137 LYS HD3 . 11061 1 1664 . 1 1 137 137 LYS HE2 H 1 2.975 0.03 . 1 . . . . 137 LYS HE2 . 11061 1 1665 . 1 1 137 137 LYS HE3 H 1 2.975 0.03 . 1 . . . . 137 LYS HE3 . 11061 1 1666 . 1 1 137 137 LYS HG2 H 1 1.489 0.03 . 2 . . . . 137 LYS HG2 . 11061 1 1667 . 1 1 137 137 LYS HG3 H 1 1.388 0.03 . 2 . . . . 137 LYS HG3 . 11061 1 1668 . 1 1 137 137 LYS C C 13 174.227 0.3 . 1 . . . . 137 LYS C . 11061 1 1669 . 1 1 137 137 LYS CA C 13 55.885 0.3 . 1 . . . . 137 LYS CA . 11061 1 1670 . 1 1 137 137 LYS CB C 13 33.974 0.3 . 1 . . . . 137 LYS CB . 11061 1 1671 . 1 1 137 137 LYS CD C 13 29.181 0.3 . 1 . . . . 137 LYS CD . 11061 1 1672 . 1 1 137 137 LYS CE C 13 42.395 0.3 . 1 . . . . 137 LYS CE . 11061 1 1673 . 1 1 137 137 LYS CG C 13 25.338 0.3 . 1 . . . . 137 LYS CG . 11061 1 1674 . 1 1 137 137 LYS N N 15 129.688 0.3 . 1 . . . . 137 LYS N . 11061 1 1675 . 1 1 138 138 LEU H H 1 8.126 0.03 . 1 . . . . 138 LEU H . 11061 1 1676 . 1 1 138 138 LEU HA H 1 5.412 0.03 . 1 . . . . 138 LEU HA . 11061 1 1677 . 1 1 138 138 LEU HB2 H 1 1.337 0.03 . 2 . . . . 138 LEU HB2 . 11061 1 1678 . 1 1 138 138 LEU HB3 H 1 1.549 0.03 . 2 . . . . 138 LEU HB3 . 11061 1 1679 . 1 1 138 138 LEU HD11 H 1 0.878 0.03 . 1 . . . . 138 LEU MD1 . 11061 1 1680 . 1 1 138 138 LEU HD12 H 1 0.878 0.03 . 1 . . . . 138 LEU MD1 . 11061 1 1681 . 1 1 138 138 LEU HD13 H 1 0.878 0.03 . 1 . . . . 138 LEU MD1 . 11061 1 1682 . 1 1 138 138 LEU HD21 H 1 0.793 0.03 . 1 . . . . 138 LEU MD2 . 11061 1 1683 . 1 1 138 138 LEU HD22 H 1 0.793 0.03 . 1 . . . . 138 LEU MD2 . 11061 1 1684 . 1 1 138 138 LEU HD23 H 1 0.793 0.03 . 1 . . . . 138 LEU MD2 . 11061 1 1685 . 1 1 138 138 LEU HG H 1 1.595 0.03 . 1 . . . . 138 LEU HG . 11061 1 1686 . 1 1 138 138 LEU C C 13 175.625 0.3 . 1 . . . . 138 LEU C . 11061 1 1687 . 1 1 138 138 LEU CA C 13 54.083 0.3 . 1 . . . . 138 LEU CA . 11061 1 1688 . 1 1 138 138 LEU CB C 13 45.837 0.3 . 1 . . . . 138 LEU CB . 11061 1 1689 . 1 1 138 138 LEU CD1 C 13 26.868 0.3 . 2 . . . . 138 LEU CD1 . 11061 1 1690 . 1 1 138 138 LEU CD2 C 13 26.037 0.3 . 2 . . . . 138 LEU CD2 . 11061 1 1691 . 1 1 138 138 LEU CG C 13 27.772 0.3 . 1 . . . . 138 LEU CG . 11061 1 1692 . 1 1 138 138 LEU N N 15 125.957 0.3 . 1 . . . . 138 LEU N . 11061 1 1693 . 1 1 139 139 ARG H H 1 8.837 0.03 . 1 . . . . 139 ARG H . 11061 1 1694 . 1 1 139 139 ARG HA H 1 4.649 0.03 . 1 . . . . 139 ARG HA . 11061 1 1695 . 1 1 139 139 ARG HB2 H 1 1.637 0.03 . 2 . . . . 139 ARG HB2 . 11061 1 1696 . 1 1 139 139 ARG HB3 H 1 1.905 0.03 . 2 . . . . 139 ARG HB3 . 11061 1 1697 . 1 1 139 139 ARG HD2 H 1 3.221 0.03 . 2 . . . . 139 ARG HD2 . 11061 1 1698 . 1 1 139 139 ARG HD3 H 1 3.189 0.03 . 2 . . . . 139 ARG HD3 . 11061 1 1699 . 1 1 139 139 ARG HG2 H 1 1.601 0.03 . 2 . . . . 139 ARG HG2 . 11061 1 1700 . 1 1 139 139 ARG HG3 H 1 1.456 0.03 . 2 . . . . 139 ARG HG3 . 11061 1 1701 . 1 1 139 139 ARG C C 13 173.964 0.3 . 1 . . . . 139 ARG C . 11061 1 1702 . 1 1 139 139 ARG CA C 13 54.677 0.3 . 1 . . . . 139 ARG CA . 11061 1 1703 . 1 1 139 139 ARG CB C 13 34.935 0.3 . 1 . . . . 139 ARG CB . 11061 1 1704 . 1 1 139 139 ARG CD C 13 44.056 0.3 . 1 . . . . 139 ARG CD . 11061 1 1705 . 1 1 139 139 ARG CG C 13 27.496 0.3 . 1 . . . . 139 ARG CG . 11061 1 1706 . 1 1 139 139 ARG N N 15 121.005 0.3 . 1 . . . . 139 ARG N . 11061 1 1707 . 1 1 140 140 ILE H H 1 8.813 0.03 . 1 . . . . 140 ILE H . 11061 1 1708 . 1 1 140 140 ILE HA H 1 4.617 0.03 . 1 . . . . 140 ILE HA . 11061 1 1709 . 1 1 140 140 ILE HB H 1 2.293 0.03 . 1 . . . . 140 ILE HB . 11061 1 1710 . 1 1 140 140 ILE HD11 H 1 0.557 0.03 . 1 . . . . 140 ILE MD . 11061 1 1711 . 1 1 140 140 ILE HD12 H 1 0.557 0.03 . 1 . . . . 140 ILE MD . 11061 1 1712 . 1 1 140 140 ILE HD13 H 1 0.557 0.03 . 1 . . . . 140 ILE MD . 11061 1 1713 . 1 1 140 140 ILE HG12 H 1 1.920 0.03 . 2 . . . . 140 ILE HG12 . 11061 1 1714 . 1 1 140 140 ILE HG13 H 1 1.074 0.03 . 2 . . . . 140 ILE HG13 . 11061 1 1715 . 1 1 140 140 ILE HG21 H 1 1.648 0.03 . 1 . . . . 140 ILE MG . 11061 1 1716 . 1 1 140 140 ILE HG22 H 1 1.648 0.03 . 1 . . . . 140 ILE MG . 11061 1 1717 . 1 1 140 140 ILE HG23 H 1 1.648 0.03 . 1 . . . . 140 ILE MG . 11061 1 1718 . 1 1 140 140 ILE C C 13 176.879 0.3 . 1 . . . . 140 ILE C . 11061 1 1719 . 1 1 140 140 ILE CA C 13 57.798 0.3 . 1 . . . . 140 ILE CA . 11061 1 1720 . 1 1 140 140 ILE CB C 13 35.667 0.3 . 1 . . . . 140 ILE CB . 11061 1 1721 . 1 1 140 140 ILE CD1 C 13 9.706 0.3 . 1 . . . . 140 ILE CD1 . 11061 1 1722 . 1 1 140 140 ILE CG1 C 13 25.789 0.3 . 1 . . . . 140 ILE CG1 . 11061 1 1723 . 1 1 140 140 ILE CG2 C 13 19.296 0.3 . 1 . . . . 140 ILE CG2 . 11061 1 1724 . 1 1 140 140 ILE N N 15 121.480 0.3 . 1 . . . . 140 ILE N . 11061 1 1725 . 1 1 141 141 MET H H 1 8.867 0.03 . 1 . . . . 141 MET H . 11061 1 1726 . 1 1 141 141 MET HA H 1 4.113 0.03 . 1 . . . . 141 MET HA . 11061 1 1727 . 1 1 141 141 MET HB2 H 1 1.722 0.03 . 2 . . . . 141 MET HB2 . 11061 1 1728 . 1 1 141 141 MET HB3 H 1 1.548 0.03 . 2 . . . . 141 MET HB3 . 11061 1 1729 . 1 1 141 141 MET HE1 H 1 1.275 0.03 . 1 . . . . 141 MET ME . 11061 1 1730 . 1 1 141 141 MET HE2 H 1 1.275 0.03 . 1 . . . . 141 MET ME . 11061 1 1731 . 1 1 141 141 MET HE3 H 1 1.275 0.03 . 1 . . . . 141 MET ME . 11061 1 1732 . 1 1 141 141 MET HG2 H 1 2.175 0.03 . 1 . . . . 141 MET HG2 . 11061 1 1733 . 1 1 141 141 MET HG3 H 1 2.175 0.03 . 1 . . . . 141 MET HG3 . 11061 1 1734 . 1 1 141 141 MET CA C 13 58.111 0.3 . 1 . . . . 141 MET CA . 11061 1 1735 . 1 1 141 141 MET CB C 13 35.734 0.3 . 1 . . . . 141 MET CB . 11061 1 1736 . 1 1 141 141 MET CE C 13 16.551 0.3 . 1 . . . . 141 MET CE . 11061 1 1737 . 1 1 141 141 MET CG C 13 34.530 0.3 . 1 . . . . 141 MET CG . 11061 1 1738 . 1 1 141 141 MET N N 15 125.737 0.3 . 1 . . . . 141 MET N . 11061 1 1739 . 1 1 142 142 LYS H H 1 9.390 0.03 . 1 . . . . 142 LYS H . 11061 1 1740 . 1 1 142 142 LYS HA H 1 4.094 0.03 . 1 . . . . 142 LYS HA . 11061 1 1741 . 1 1 142 142 LYS HB2 H 1 1.522 0.03 . 2 . . . . 142 LYS HB2 . 11061 1 1742 . 1 1 142 142 LYS HB3 H 1 1.298 0.03 . 2 . . . . 142 LYS HB3 . 11061 1 1743 . 1 1 142 142 LYS HD2 H 1 1.523 0.03 . 1 . . . . 142 LYS HD2 . 11061 1 1744 . 1 1 142 142 LYS HD3 H 1 1.523 0.03 . 1 . . . . 142 LYS HD3 . 11061 1 1745 . 1 1 142 142 LYS HE2 H 1 2.954 0.03 . 1 . . . . 142 LYS HE2 . 11061 1 1746 . 1 1 142 142 LYS HE3 H 1 2.954 0.03 . 1 . . . . 142 LYS HE3 . 11061 1 1747 . 1 1 142 142 LYS HG2 H 1 1.346 0.03 . 2 . . . . 142 LYS HG2 . 11061 1 1748 . 1 1 142 142 LYS HG3 H 1 0.674 0.03 . 2 . . . . 142 LYS HG3 . 11061 1 1749 . 1 1 142 142 LYS CA C 13 54.081 0.3 . 1 . . . . 142 LYS CA . 11061 1 1750 . 1 1 142 142 LYS CB C 13 32.297 0.3 . 1 . . . . 142 LYS CB . 11061 1 1751 . 1 1 142 142 LYS CD C 13 29.665 0.3 . 1 . . . . 142 LYS CD . 11061 1 1752 . 1 1 142 142 LYS CE C 13 42.099 0.3 . 1 . . . . 142 LYS CE . 11061 1 1753 . 1 1 142 142 LYS CG C 13 24.911 0.3 . 1 . . . . 142 LYS CG . 11061 1 1754 . 1 1 142 142 LYS N N 15 123.059 0.3 . 1 . . . . 142 LYS N . 11061 1 1755 . 1 1 143 143 PRO HA H 1 4.365 0.03 . 1 . . . . 143 PRO HA . 11061 1 1756 . 1 1 143 143 PRO HB2 H 1 2.393 0.03 . 2 . . . . 143 PRO HB2 . 11061 1 1757 . 1 1 143 143 PRO HB3 H 1 2.051 0.03 . 2 . . . . 143 PRO HB3 . 11061 1 1758 . 1 1 143 143 PRO HD2 H 1 3.709 0.03 . 2 . . . . 143 PRO HD2 . 11061 1 1759 . 1 1 143 143 PRO HD3 H 1 3.444 0.03 . 2 . . . . 143 PRO HD3 . 11061 1 1760 . 1 1 143 143 PRO HG2 H 1 2.571 0.03 . 2 . . . . 143 PRO HG2 . 11061 1 1761 . 1 1 143 143 PRO HG3 H 1 1.849 0.03 . 2 . . . . 143 PRO HG3 . 11061 1 1762 . 1 1 143 143 PRO C C 13 177.973 0.3 . 1 . . . . 143 PRO C . 11061 1 1763 . 1 1 143 143 PRO CA C 13 67.957 0.3 . 1 . . . . 143 PRO CA . 11061 1 1764 . 1 1 143 143 PRO CB C 13 31.542 0.3 . 1 . . . . 143 PRO CB . 11061 1 1765 . 1 1 143 143 PRO CD C 13 49.896 0.3 . 1 . . . . 143 PRO CD . 11061 1 1766 . 1 1 143 143 PRO CG C 13 28.884 0.3 . 1 . . . . 143 PRO CG . 11061 1 1767 . 1 1 144 144 GLN H H 1 8.786 0.03 . 1 . . . . 144 GLN H . 11061 1 1768 . 1 1 144 144 GLN HA H 1 4.171 0.03 . 1 . . . . 144 GLN HA . 11061 1 1769 . 1 1 144 144 GLN HB2 H 1 2.035 0.03 . 2 . . . . 144 GLN HB2 . 11061 1 1770 . 1 1 144 144 GLN HB3 H 1 2.013 0.03 . 2 . . . . 144 GLN HB3 . 11061 1 1771 . 1 1 144 144 GLN HE21 H 1 7.691 0.03 . 2 . . . . 144 GLN HE21 . 11061 1 1772 . 1 1 144 144 GLN HE22 H 1 6.865 0.03 . 2 . . . . 144 GLN HE22 . 11061 1 1773 . 1 1 144 144 GLN HG2 H 1 2.402 0.03 . 1 . . . . 144 GLN HG2 . 11061 1 1774 . 1 1 144 144 GLN HG3 H 1 2.402 0.03 . 1 . . . . 144 GLN HG3 . 11061 1 1775 . 1 1 144 144 GLN C C 13 178.632 0.3 . 1 . . . . 144 GLN C . 11061 1 1776 . 1 1 144 144 GLN CA C 13 59.257 0.3 . 1 . . . . 144 GLN CA . 11061 1 1777 . 1 1 144 144 GLN CB C 13 28.489 0.3 . 1 . . . . 144 GLN CB . 11061 1 1778 . 1 1 144 144 GLN CG C 13 34.178 0.3 . 1 . . . . 144 GLN CG . 11061 1 1779 . 1 1 144 144 GLN N N 15 113.924 0.3 . 1 . . . . 144 GLN N . 11061 1 1780 . 1 1 144 144 GLN NE2 N 15 112.821 0.3 . 1 . . . . 144 GLN NE2 . 11061 1 1781 . 1 1 145 145 ASP H H 1 8.087 0.03 . 1 . . . . 145 ASP H . 11061 1 1782 . 1 1 145 145 ASP HA H 1 4.700 0.03 . 1 . . . . 145 ASP HA . 11061 1 1783 . 1 1 145 145 ASP HB2 H 1 2.525 0.03 . 2 . . . . 145 ASP HB2 . 11061 1 1784 . 1 1 145 145 ASP HB3 H 1 2.817 0.03 . 2 . . . . 145 ASP HB3 . 11061 1 1785 . 1 1 145 145 ASP C C 13 177.959 0.3 . 1 . . . . 145 ASP C . 11061 1 1786 . 1 1 145 145 ASP CA C 13 57.624 0.3 . 1 . . . . 145 ASP CA . 11061 1 1787 . 1 1 145 145 ASP CB C 13 41.473 0.3 . 1 . . . . 145 ASP CB . 11061 1 1788 . 1 1 145 145 ASP N N 15 120.598 0.3 . 1 . . . . 145 ASP N . 11061 1 1789 . 1 1 146 146 PHE H H 1 7.468 0.03 . 1 . . . . 146 PHE H . 11061 1 1790 . 1 1 146 146 PHE HA H 1 3.929 0.03 . 1 . . . . 146 PHE HA . 11061 1 1791 . 1 1 146 146 PHE HB2 H 1 2.851 0.03 . 2 . . . . 146 PHE HB2 . 11061 1 1792 . 1 1 146 146 PHE HB3 H 1 3.079 0.03 . 2 . . . . 146 PHE HB3 . 11061 1 1793 . 1 1 146 146 PHE HD1 H 1 7.383 0.03 . 1 . . . . 146 PHE HD1 . 11061 1 1794 . 1 1 146 146 PHE HD2 H 1 7.383 0.03 . 1 . . . . 146 PHE HD2 . 11061 1 1795 . 1 1 146 146 PHE HE1 H 1 7.794 0.03 . 1 . . . . 146 PHE HE1 . 11061 1 1796 . 1 1 146 146 PHE HE2 H 1 7.794 0.03 . 1 . . . . 146 PHE HE2 . 11061 1 1797 . 1 1 146 146 PHE HZ H 1 8.134 0.03 . 1 . . . . 146 PHE HZ . 11061 1 1798 . 1 1 146 146 PHE C C 13 177.291 0.3 . 1 . . . . 146 PHE C . 11061 1 1799 . 1 1 146 146 PHE CA C 13 63.092 0.3 . 1 . . . . 146 PHE CA . 11061 1 1800 . 1 1 146 146 PHE CB C 13 39.694 0.3 . 1 . . . . 146 PHE CB . 11061 1 1801 . 1 1 146 146 PHE CD1 C 13 131.908 0.3 . 1 . . . . 146 PHE CD1 . 11061 1 1802 . 1 1 146 146 PHE CD2 C 13 131.908 0.3 . 1 . . . . 146 PHE CD2 . 11061 1 1803 . 1 1 146 146 PHE CE1 C 13 132.937 0.3 . 1 . . . . 146 PHE CE1 . 11061 1 1804 . 1 1 146 146 PHE CE2 C 13 132.937 0.3 . 1 . . . . 146 PHE CE2 . 11061 1 1805 . 1 1 146 146 PHE CZ C 13 131.225 0.3 . 1 . . . . 146 PHE CZ . 11061 1 1806 . 1 1 146 146 PHE N N 15 117.470 0.3 . 1 . . . . 146 PHE N . 11061 1 1807 . 1 1 147 147 GLU H H 1 7.539 0.03 . 1 . . . . 147 GLU H . 11061 1 1808 . 1 1 147 147 GLU HA H 1 3.069 0.03 . 1 . . . . 147 GLU HA . 11061 1 1809 . 1 1 147 147 GLU HB2 H 1 2.084 0.03 . 2 . . . . 147 GLU HB2 . 11061 1 1810 . 1 1 147 147 GLU HB3 H 1 1.797 0.03 . 2 . . . . 147 GLU HB3 . 11061 1 1811 . 1 1 147 147 GLU HG2 H 1 2.145 0.03 . 1 . . . . 147 GLU HG2 . 11061 1 1812 . 1 1 147 147 GLU HG3 H 1 2.145 0.03 . 1 . . . . 147 GLU HG3 . 11061 1 1813 . 1 1 147 147 GLU C C 13 177.223 0.3 . 1 . . . . 147 GLU C . 11061 1 1814 . 1 1 147 147 GLU CA C 13 59.672 0.3 . 1 . . . . 147 GLU CA . 11061 1 1815 . 1 1 147 147 GLU CB C 13 29.309 0.3 . 1 . . . . 147 GLU CB . 11061 1 1816 . 1 1 147 147 GLU CG C 13 36.662 0.3 . 1 . . . . 147 GLU CG . 11061 1 1817 . 1 1 147 147 GLU N N 15 119.275 0.3 . 1 . . . . 147 GLU N . 11061 1 1818 . 1 1 148 148 TYR H H 1 7.591 0.03 . 1 . . . . 148 TYR H . 11061 1 1819 . 1 1 148 148 TYR HA H 1 4.034 0.03 . 1 . . . . 148 TYR HA . 11061 1 1820 . 1 1 148 148 TYR HB2 H 1 3.176 0.03 . 2 . . . . 148 TYR HB2 . 11061 1 1821 . 1 1 148 148 TYR HB3 H 1 3.253 0.03 . 2 . . . . 148 TYR HB3 . 11061 1 1822 . 1 1 148 148 TYR HD1 H 1 6.733 0.03 . 1 . . . . 148 TYR HD1 . 11061 1 1823 . 1 1 148 148 TYR HD2 H 1 6.733 0.03 . 1 . . . . 148 TYR HD2 . 11061 1 1824 . 1 1 148 148 TYR HE1 H 1 6.626 0.03 . 1 . . . . 148 TYR HE1 . 11061 1 1825 . 1 1 148 148 TYR HE2 H 1 6.626 0.03 . 1 . . . . 148 TYR HE2 . 11061 1 1826 . 1 1 148 148 TYR C C 13 178.916 0.3 . 1 . . . . 148 TYR C . 11061 1 1827 . 1 1 148 148 TYR CA C 13 62.237 0.3 . 1 . . . . 148 TYR CA . 11061 1 1828 . 1 1 148 148 TYR CB C 13 38.278 0.3 . 1 . . . . 148 TYR CB . 11061 1 1829 . 1 1 148 148 TYR CD1 C 13 133.059 0.3 . 1 . . . . 148 TYR CD1 . 11061 1 1830 . 1 1 148 148 TYR CD2 C 13 133.059 0.3 . 1 . . . . 148 TYR CD2 . 11061 1 1831 . 1 1 148 148 TYR CE1 C 13 118.694 0.3 . 1 . . . . 148 TYR CE1 . 11061 1 1832 . 1 1 148 148 TYR CE2 C 13 118.694 0.3 . 1 . . . . 148 TYR CE2 . 11061 1 1833 . 1 1 148 148 TYR N N 15 120.216 0.3 . 1 . . . . 148 TYR N . 11061 1 1834 . 1 1 149 149 ILE H H 1 7.745 0.03 . 1 . . . . 149 ILE H . 11061 1 1835 . 1 1 149 149 ILE HA H 1 3.616 0.03 . 1 . . . . 149 ILE HA . 11061 1 1836 . 1 1 149 149 ILE HB H 1 1.931 0.03 . 1 . . . . 149 ILE HB . 11061 1 1837 . 1 1 149 149 ILE HD11 H 1 0.130 0.03 . 1 . . . . 149 ILE MD . 11061 1 1838 . 1 1 149 149 ILE HD12 H 1 0.130 0.03 . 1 . . . . 149 ILE MD . 11061 1 1839 . 1 1 149 149 ILE HD13 H 1 0.130 0.03 . 1 . . . . 149 ILE MD . 11061 1 1840 . 1 1 149 149 ILE HG12 H 1 0.962 0.03 . 2 . . . . 149 ILE HG12 . 11061 1 1841 . 1 1 149 149 ILE HG13 H 1 1.176 0.03 . 2 . . . . 149 ILE HG13 . 11061 1 1842 . 1 1 149 149 ILE HG21 H 1 0.395 0.03 . 1 . . . . 149 ILE MG . 11061 1 1843 . 1 1 149 149 ILE HG22 H 1 0.395 0.03 . 1 . . . . 149 ILE MG . 11061 1 1844 . 1 1 149 149 ILE HG23 H 1 0.395 0.03 . 1 . . . . 149 ILE MG . 11061 1 1845 . 1 1 149 149 ILE C C 13 178.029 0.3 . 1 . . . . 149 ILE C . 11061 1 1846 . 1 1 149 149 ILE CA C 13 63.440 0.3 . 1 . . . . 149 ILE CA . 11061 1 1847 . 1 1 149 149 ILE CB C 13 36.947 0.3 . 1 . . . . 149 ILE CB . 11061 1 1848 . 1 1 149 149 ILE CD1 C 13 12.269 0.3 . 1 . . . . 149 ILE CD1 . 11061 1 1849 . 1 1 149 149 ILE CG1 C 13 27.260 0.3 . 1 . . . . 149 ILE CG1 . 11061 1 1850 . 1 1 149 149 ILE CG2 C 13 18.335 0.3 . 1 . . . . 149 ILE CG2 . 11061 1 1851 . 1 1 149 149 ILE N N 15 119.396 0.3 . 1 . . . . 149 ILE N . 11061 1 1852 . 1 1 150 150 TRP H H 1 8.263 0.03 . 1 . . . . 150 TRP H . 11061 1 1853 . 1 1 150 150 TRP HA H 1 3.413 0.03 . 1 . . . . 150 TRP HA . 11061 1 1854 . 1 1 150 150 TRP HB2 H 1 3.284 0.03 . 2 . . . . 150 TRP HB2 . 11061 1 1855 . 1 1 150 150 TRP HB3 H 1 2.766 0.03 . 2 . . . . 150 TRP HB3 . 11061 1 1856 . 1 1 150 150 TRP HD1 H 1 7.104 0.03 . 1 . . . . 150 TRP HD1 . 11061 1 1857 . 1 1 150 150 TRP HE1 H 1 10.089 0.03 . 1 . . . . 150 TRP HE1 . 11061 1 1858 . 1 1 150 150 TRP HE3 H 1 6.810 0.03 . 1 . . . . 150 TRP HE3 . 11061 1 1859 . 1 1 150 150 TRP HH2 H 1 7.274 0.03 . 1 . . . . 150 TRP HH2 . 11061 1 1860 . 1 1 150 150 TRP HZ2 H 1 7.267 0.03 . 1 . . . . 150 TRP HZ2 . 11061 1 1861 . 1 1 150 150 TRP HZ3 H 1 7.037 0.03 . 1 . . . . 150 TRP HZ3 . 11061 1 1862 . 1 1 150 150 TRP C C 13 176.802 0.3 . 1 . . . . 150 TRP C . 11061 1 1863 . 1 1 150 150 TRP CA C 13 60.243 0.3 . 1 . . . . 150 TRP CA . 11061 1 1864 . 1 1 150 150 TRP CB C 13 29.099 0.3 . 1 . . . . 150 TRP CB . 11061 1 1865 . 1 1 150 150 TRP CD1 C 13 127.465 0.3 . 1 . . . . 150 TRP CD1 . 11061 1 1866 . 1 1 150 150 TRP CE3 C 13 120.615 0.3 . 1 . . . . 150 TRP CE3 . 11061 1 1867 . 1 1 150 150 TRP CH2 C 13 124.446 0.3 . 1 . . . . 150 TRP CH2 . 11061 1 1868 . 1 1 150 150 TRP CZ2 C 13 115.536 0.3 . 1 . . . . 150 TRP CZ2 . 11061 1 1869 . 1 1 150 150 TRP CZ3 C 13 120.659 0.3 . 1 . . . . 150 TRP CZ3 . 11061 1 1870 . 1 1 150 150 TRP N N 15 121.960 0.3 . 1 . . . . 150 TRP N . 11061 1 1871 . 1 1 150 150 TRP NE1 N 15 130.849 0.3 . 1 . . . . 150 TRP NE1 . 11061 1 1872 . 1 1 151 151 GLN H H 1 8.128 0.03 . 1 . . . . 151 GLN H . 11061 1 1873 . 1 1 151 151 GLN HA H 1 3.784 0.03 . 1 . . . . 151 GLN HA . 11061 1 1874 . 1 1 151 151 GLN HB2 H 1 1.858 0.03 . 2 . . . . 151 GLN HB2 . 11061 1 1875 . 1 1 151 151 GLN HB3 H 1 1.993 0.03 . 2 . . . . 151 GLN HB3 . 11061 1 1876 . 1 1 151 151 GLN HE21 H 1 7.471 0.03 . 2 . . . . 151 GLN HE21 . 11061 1 1877 . 1 1 151 151 GLN HE22 H 1 6.816 0.03 . 2 . . . . 151 GLN HE22 . 11061 1 1878 . 1 1 151 151 GLN HG2 H 1 2.595 0.03 . 2 . . . . 151 GLN HG2 . 11061 1 1879 . 1 1 151 151 GLN HG3 H 1 2.444 0.03 . 2 . . . . 151 GLN HG3 . 11061 1 1880 . 1 1 151 151 GLN C C 13 178.026 0.3 . 1 . . . . 151 GLN C . 11061 1 1881 . 1 1 151 151 GLN CA C 13 58.330 0.3 . 1 . . . . 151 GLN CA . 11061 1 1882 . 1 1 151 151 GLN CB C 13 29.470 0.3 . 1 . . . . 151 GLN CB . 11061 1 1883 . 1 1 151 151 GLN CG C 13 34.267 0.3 . 1 . . . . 151 GLN CG . 11061 1 1884 . 1 1 151 151 GLN N N 15 112.643 0.3 . 1 . . . . 151 GLN N . 11061 1 1885 . 1 1 151 151 GLN NE2 N 15 111.179 0.3 . 1 . . . . 151 GLN NE2 . 11061 1 1886 . 1 1 152 152 ASN H H 1 7.580 0.03 . 1 . . . . 152 ASN H . 11061 1 1887 . 1 1 152 152 ASN HA H 1 4.441 0.03 . 1 . . . . 152 ASN HA . 11061 1 1888 . 1 1 152 152 ASN HB2 H 1 1.724 0.03 . 1 . . . . 152 ASN HB2 . 11061 1 1889 . 1 1 152 152 ASN HB3 H 1 1.724 0.03 . 1 . . . . 152 ASN HB3 . 11061 1 1890 . 1 1 152 152 ASN HD21 H 1 6.922 0.03 . 2 . . . . 152 ASN HD21 . 11061 1 1891 . 1 1 152 152 ASN HD22 H 1 6.035 0.03 . 2 . . . . 152 ASN HD22 . 11061 1 1892 . 1 1 152 152 ASN C C 13 174.687 0.3 . 1 . . . . 152 ASN C . 11061 1 1893 . 1 1 152 152 ASN CA C 13 55.164 0.3 . 1 . . . . 152 ASN CA . 11061 1 1894 . 1 1 152 152 ASN CB C 13 41.116 0.3 . 1 . . . . 152 ASN CB . 11061 1 1895 . 1 1 152 152 ASN N N 15 112.492 0.3 . 1 . . . . 152 ASN N . 11061 1 1896 . 1 1 152 152 ASN ND2 N 15 117.766 0.3 . 1 . . . . 152 ASN ND2 . 11061 1 1897 . 1 1 153 153 PHE H H 1 8.644 0.03 . 1 . . . . 153 PHE H . 11061 1 1898 . 1 1 153 153 PHE HA H 1 4.556 0.03 . 1 . . . . 153 PHE HA . 11061 1 1899 . 1 1 153 153 PHE HB2 H 1 3.127 0.03 . 2 . . . . 153 PHE HB2 . 11061 1 1900 . 1 1 153 153 PHE HB3 H 1 2.795 0.03 . 2 . . . . 153 PHE HB3 . 11061 1 1901 . 1 1 153 153 PHE HD1 H 1 7.029 0.03 . 1 . . . . 153 PHE HD1 . 11061 1 1902 . 1 1 153 153 PHE HD2 H 1 7.029 0.03 . 1 . . . . 153 PHE HD2 . 11061 1 1903 . 1 1 153 153 PHE HE1 H 1 7.187 0.03 . 1 . . . . 153 PHE HE1 . 11061 1 1904 . 1 1 153 153 PHE HE2 H 1 7.187 0.03 . 1 . . . . 153 PHE HE2 . 11061 1 1905 . 1 1 153 153 PHE HZ H 1 7.198 0.03 . 1 . . . . 153 PHE HZ . 11061 1 1906 . 1 1 153 153 PHE C C 13 174.260 0.3 . 1 . . . . 153 PHE C . 11061 1 1907 . 1 1 153 153 PHE CA C 13 58.393 0.3 . 1 . . . . 153 PHE CA . 11061 1 1908 . 1 1 153 153 PHE CB C 13 41.806 0.3 . 1 . . . . 153 PHE CB . 11061 1 1909 . 1 1 153 153 PHE CD1 C 13 131.549 0.3 . 1 . . . . 153 PHE CD1 . 11061 1 1910 . 1 1 153 153 PHE CD2 C 13 131.549 0.3 . 1 . . . . 153 PHE CD2 . 11061 1 1911 . 1 1 153 153 PHE CE1 C 13 131.508 0.3 . 1 . . . . 153 PHE CE1 . 11061 1 1912 . 1 1 153 153 PHE CE2 C 13 131.508 0.3 . 1 . . . . 153 PHE CE2 . 11061 1 1913 . 1 1 153 153 PHE CZ C 13 129.594 0.3 . 1 . . . . 153 PHE CZ . 11061 1 1914 . 1 1 153 153 PHE N N 15 114.223 0.3 . 1 . . . . 153 PHE N . 11061 1 1915 . 1 1 154 154 VAL H H 1 6.539 0.03 . 1 . . . . 154 VAL H . 11061 1 1916 . 1 1 154 154 VAL HA H 1 4.381 0.03 . 1 . . . . 154 VAL HA . 11061 1 1917 . 1 1 154 154 VAL HB H 1 1.588 0.03 . 1 . . . . 154 VAL HB . 11061 1 1918 . 1 1 154 154 VAL HG11 H 1 0.225 0.03 . 1 . . . . 154 VAL MG1 . 11061 1 1919 . 1 1 154 154 VAL HG12 H 1 0.225 0.03 . 1 . . . . 154 VAL MG1 . 11061 1 1920 . 1 1 154 154 VAL HG13 H 1 0.225 0.03 . 1 . . . . 154 VAL MG1 . 11061 1 1921 . 1 1 154 154 VAL HG21 H 1 0.254 0.03 . 1 . . . . 154 VAL MG2 . 11061 1 1922 . 1 1 154 154 VAL HG22 H 1 0.254 0.03 . 1 . . . . 154 VAL MG2 . 11061 1 1923 . 1 1 154 154 VAL HG23 H 1 0.254 0.03 . 1 . . . . 154 VAL MG2 . 11061 1 1924 . 1 1 154 154 VAL C C 13 175.442 0.3 . 1 . . . . 154 VAL C . 11061 1 1925 . 1 1 154 154 VAL CA C 13 62.108 0.3 . 1 . . . . 154 VAL CA . 11061 1 1926 . 1 1 154 154 VAL CB C 13 31.744 0.3 . 1 . . . . 154 VAL CB . 11061 1 1927 . 1 1 154 154 VAL CG1 C 13 21.238 0.3 . 2 . . . . 154 VAL CG1 . 11061 1 1928 . 1 1 154 154 VAL CG2 C 13 23.928 0.3 . 2 . . . . 154 VAL CG2 . 11061 1 1929 . 1 1 154 154 VAL N N 15 119.416 0.3 . 1 . . . . 154 VAL N . 11061 1 1930 . 1 1 155 155 GLU H H 1 8.473 0.03 . 1 . . . . 155 GLU H . 11061 1 1931 . 1 1 155 155 GLU HA H 1 3.989 0.03 . 1 . . . . 155 GLU HA . 11061 1 1932 . 1 1 155 155 GLU HB2 H 1 1.568 0.03 . 2 . . . . 155 GLU HB2 . 11061 1 1933 . 1 1 155 155 GLU HB3 H 1 1.766 0.03 . 2 . . . . 155 GLU HB3 . 11061 1 1934 . 1 1 155 155 GLU HG2 H 1 2.047 0.03 . 2 . . . . 155 GLU HG2 . 11061 1 1935 . 1 1 155 155 GLU HG3 H 1 2.001 0.03 . 2 . . . . 155 GLU HG3 . 11061 1 1936 . 1 1 155 155 GLU C C 13 174.510 0.3 . 1 . . . . 155 GLU C . 11061 1 1937 . 1 1 155 155 GLU CA C 13 55.960 0.3 . 1 . . . . 155 GLU CA . 11061 1 1938 . 1 1 155 155 GLU CB C 13 30.719 0.3 . 1 . . . . 155 GLU CB . 11061 1 1939 . 1 1 155 155 GLU CG C 13 35.927 0.3 . 1 . . . . 155 GLU CG . 11061 1 1940 . 1 1 155 155 GLU N N 15 130.252 0.3 . 1 . . . . 155 GLU N . 11061 1 1941 . 1 1 156 156 GLN H H 1 8.290 0.03 . 1 . . . . 156 GLN H . 11061 1 1942 . 1 1 156 156 GLN HA H 1 4.147 0.03 . 1 . . . . 156 GLN HA . 11061 1 1943 . 1 1 156 156 GLN HB2 H 1 1.712 0.03 . 2 . . . . 156 GLN HB2 . 11061 1 1944 . 1 1 156 156 GLN HB3 H 1 2.068 0.03 . 2 . . . . 156 GLN HB3 . 11061 1 1945 . 1 1 156 156 GLN HE21 H 1 7.033 0.03 . 2 . . . . 156 GLN HE21 . 11061 1 1946 . 1 1 156 156 GLN HE22 H 1 6.413 0.03 . 2 . . . . 156 GLN HE22 . 11061 1 1947 . 1 1 156 156 GLN HG2 H 1 1.982 0.03 . 2 . . . . 156 GLN HG2 . 11061 1 1948 . 1 1 156 156 GLN HG3 H 1 1.859 0.03 . 2 . . . . 156 GLN HG3 . 11061 1 1949 . 1 1 156 156 GLN C C 13 175.810 0.3 . 1 . . . . 156 GLN C . 11061 1 1950 . 1 1 156 156 GLN CA C 13 55.318 0.3 . 1 . . . . 156 GLN CA . 11061 1 1951 . 1 1 156 156 GLN CB C 13 29.843 0.3 . 1 . . . . 156 GLN CB . 11061 1 1952 . 1 1 156 156 GLN CG C 13 34.071 0.3 . 1 . . . . 156 GLN CG . 11061 1 1953 . 1 1 156 156 GLN N N 15 125.224 0.3 . 1 . . . . 156 GLN N . 11061 1 1954 . 1 1 156 156 GLN NE2 N 15 111.997 0.3 . 1 . . . . 156 GLN NE2 . 11061 1 1955 . 1 1 157 157 GLU H H 1 8.768 0.03 . 1 . . . . 157 GLU H . 11061 1 1956 . 1 1 157 157 GLU HA H 1 4.210 0.03 . 1 . . . . 157 GLU HA . 11061 1 1957 . 1 1 157 157 GLU HB2 H 1 1.874 0.03 . 2 . . . . 157 GLU HB2 . 11061 1 1958 . 1 1 157 157 GLU HB3 H 1 2.057 0.03 . 2 . . . . 157 GLU HB3 . 11061 1 1959 . 1 1 157 157 GLU HG2 H 1 2.324 0.03 . 2 . . . . 157 GLU HG2 . 11061 1 1960 . 1 1 157 157 GLU HG3 H 1 2.269 0.03 . 2 . . . . 157 GLU HG3 . 11061 1 1961 . 1 1 157 157 GLU C C 13 176.620 0.3 . 1 . . . . 157 GLU C . 11061 1 1962 . 1 1 157 157 GLU CA C 13 56.669 0.3 . 1 . . . . 157 GLU CA . 11061 1 1963 . 1 1 157 157 GLU CB C 13 30.591 0.3 . 1 . . . . 157 GLU CB . 11061 1 1964 . 1 1 157 157 GLU CG C 13 36.662 0.3 . 1 . . . . 157 GLU CG . 11061 1 1965 . 1 1 157 157 GLU N N 15 122.337 0.3 . 1 . . . . 157 GLU N . 11061 1 1966 . 1 1 158 158 GLU H H 1 8.661 0.03 . 1 . . . . 158 GLU H . 11061 1 1967 . 1 1 158 158 GLU HA H 1 4.041 0.03 . 1 . . . . 158 GLU HA . 11061 1 1968 . 1 1 158 158 GLU HB2 H 1 2.023 0.03 . 1 . . . . 158 GLU HB2 . 11061 1 1969 . 1 1 158 158 GLU HB3 H 1 2.023 0.03 . 1 . . . . 158 GLU HB3 . 11061 1 1970 . 1 1 158 158 GLU HG2 H 1 2.271 0.03 . 2 . . . . 158 GLU HG2 . 11061 1 1971 . 1 1 158 158 GLU HG3 H 1 2.240 0.03 . 2 . . . . 158 GLU HG3 . 11061 1 1972 . 1 1 158 158 GLU C C 13 177.214 0.3 . 1 . . . . 158 GLU C . 11061 1 1973 . 1 1 158 158 GLU CA C 13 57.880 0.3 . 1 . . . . 158 GLU CA . 11061 1 1974 . 1 1 158 158 GLU CB C 13 29.552 0.3 . 1 . . . . 158 GLU CB . 11061 1 1975 . 1 1 158 158 GLU CG C 13 36.226 0.3 . 1 . . . . 158 GLU CG . 11061 1 1976 . 1 1 158 158 GLU N N 15 121.891 0.3 . 1 . . . . 158 GLU N . 11061 1 1977 . 1 1 159 159 GLY H H 1 8.567 0.03 . 1 . . . . 159 GLY H . 11061 1 1978 . 1 1 159 159 GLY HA2 H 1 3.728 0.03 . 2 . . . . 159 GLY HA2 . 11061 1 1979 . 1 1 159 159 GLY HA3 H 1 4.150 0.03 . 2 . . . . 159 GLY HA3 . 11061 1 1980 . 1 1 159 159 GLY C C 13 174.174 0.3 . 1 . . . . 159 GLY C . 11061 1 1981 . 1 1 159 159 GLY CA C 13 45.472 0.3 . 1 . . . . 159 GLY CA . 11061 1 1982 . 1 1 159 159 GLY N N 15 111.063 0.3 . 1 . . . . 159 GLY N . 11061 1 1983 . 1 1 160 160 GLU H H 1 7.912 0.03 . 1 . . . . 160 GLU H . 11061 1 1984 . 1 1 160 160 GLU HA H 1 4.410 0.03 . 1 . . . . 160 GLU HA . 11061 1 1985 . 1 1 160 160 GLU HB2 H 1 1.978 0.03 . 2 . . . . 160 GLU HB2 . 11061 1 1986 . 1 1 160 160 GLU HB3 H 1 2.088 0.03 . 2 . . . . 160 GLU HB3 . 11061 1 1987 . 1 1 160 160 GLU HG2 H 1 2.289 0.03 . 2 . . . . 160 GLU HG2 . 11061 1 1988 . 1 1 160 160 GLU HG3 H 1 2.165 0.03 . 2 . . . . 160 GLU HG3 . 11061 1 1989 . 1 1 160 160 GLU C C 13 175.921 0.3 . 1 . . . . 160 GLU C . 11061 1 1990 . 1 1 160 160 GLU CA C 13 55.873 0.3 . 1 . . . . 160 GLU CA . 11061 1 1991 . 1 1 160 160 GLU CB C 13 31.277 0.3 . 1 . . . . 160 GLU CB . 11061 1 1992 . 1 1 160 160 GLU CG C 13 36.356 0.3 . 1 . . . . 160 GLU CG . 11061 1 1993 . 1 1 160 160 GLU N N 15 120.093 0.3 . 1 . . . . 160 GLU N . 11061 1 1994 . 1 1 161 161 SER H H 1 8.613 0.03 . 1 . . . . 161 SER H . 11061 1 1995 . 1 1 161 161 SER HA H 1 4.390 0.03 . 1 . . . . 161 SER HA . 11061 1 1996 . 1 1 161 161 SER HB2 H 1 3.806 0.03 . 1 . . . . 161 SER HB2 . 11061 1 1997 . 1 1 161 161 SER HB3 H 1 3.806 0.03 . 1 . . . . 161 SER HB3 . 11061 1 1998 . 1 1 161 161 SER C C 13 174.649 0.3 . 1 . . . . 161 SER C . 11061 1 1999 . 1 1 161 161 SER CA C 13 57.907 0.3 . 1 . . . . 161 SER CA . 11061 1 2000 . 1 1 161 161 SER CB C 13 63.262 0.3 . 1 . . . . 161 SER CB . 11061 1 2001 . 1 1 161 161 SER N N 15 117.663 0.3 . 1 . . . . 161 SER N . 11061 1 2002 . 1 1 162 162 LYS H H 1 8.924 0.03 . 1 . . . . 162 LYS H . 11061 1 2003 . 1 1 162 162 LYS HA H 1 4.533 0.03 . 1 . . . . 162 LYS HA . 11061 1 2004 . 1 1 162 162 LYS HB2 H 1 1.934 0.03 . 2 . . . . 162 LYS HB2 . 11061 1 2005 . 1 1 162 162 LYS HB3 H 1 2.078 0.03 . 2 . . . . 162 LYS HB3 . 11061 1 2006 . 1 1 162 162 LYS HD2 H 1 1.760 0.03 . 1 . . . . 162 LYS HD2 . 11061 1 2007 . 1 1 162 162 LYS HD3 H 1 1.760 0.03 . 1 . . . . 162 LYS HD3 . 11061 1 2008 . 1 1 162 162 LYS HE2 H 1 3.031 0.03 . 1 . . . . 162 LYS HE2 . 11061 1 2009 . 1 1 162 162 LYS HE3 H 1 3.031 0.03 . 1 . . . . 162 LYS HE3 . 11061 1 2010 . 1 1 162 162 LYS HG2 H 1 1.638 0.03 . 2 . . . . 162 LYS HG2 . 11061 1 2011 . 1 1 162 162 LYS HG3 H 1 1.563 0.03 . 2 . . . . 162 LYS HG3 . 11061 1 2012 . 1 1 162 162 LYS C C 13 177.047 0.3 . 1 . . . . 162 LYS C . 11061 1 2013 . 1 1 162 162 LYS CA C 13 55.959 0.3 . 1 . . . . 162 LYS CA . 11061 1 2014 . 1 1 162 162 LYS CB C 13 34.326 0.3 . 1 . . . . 162 LYS CB . 11061 1 2015 . 1 1 162 162 LYS CD C 13 29.181 0.3 . 1 . . . . 162 LYS CD . 11061 1 2016 . 1 1 162 162 LYS CE C 13 42.395 0.3 . 1 . . . . 162 LYS CE . 11061 1 2017 . 1 1 162 162 LYS CG C 13 25.281 0.3 . 1 . . . . 162 LYS CG . 11061 1 2018 . 1 1 162 162 LYS N N 15 124.879 0.3 . 1 . . . . 162 LYS N . 11061 1 2019 . 1 1 163 163 ALA H H 1 8.443 0.03 . 1 . . . . 163 ALA H . 11061 1 2020 . 1 1 163 163 ALA HA H 1 4.413 0.03 . 1 . . . . 163 ALA HA . 11061 1 2021 . 1 1 163 163 ALA HB1 H 1 1.360 0.03 . 1 . . . . 163 ALA MB . 11061 1 2022 . 1 1 163 163 ALA HB2 H 1 1.360 0.03 . 1 . . . . 163 ALA MB . 11061 1 2023 . 1 1 163 163 ALA HB3 H 1 1.360 0.03 . 1 . . . . 163 ALA MB . 11061 1 2024 . 1 1 163 163 ALA C C 13 176.632 0.3 . 1 . . . . 163 ALA C . 11061 1 2025 . 1 1 163 163 ALA CA C 13 51.833 0.3 . 1 . . . . 163 ALA CA . 11061 1 2026 . 1 1 163 163 ALA CB C 13 19.695 0.3 . 1 . . . . 163 ALA CB . 11061 1 2027 . 1 1 163 163 ALA N N 15 125.572 0.3 . 1 . . . . 163 ALA N . 11061 1 2028 . 1 1 164 164 PHE H H 1 8.610 0.03 . 1 . . . . 164 PHE H . 11061 1 2029 . 1 1 164 164 PHE HA H 1 2.616 0.03 . 1 . . . . 164 PHE HA . 11061 1 2030 . 1 1 164 164 PHE HB2 H 1 2.474 0.03 . 2 . . . . 164 PHE HB2 . 11061 1 2031 . 1 1 164 164 PHE HB3 H 1 2.446 0.03 . 2 . . . . 164 PHE HB3 . 11061 1 2032 . 1 1 164 164 PHE HD1 H 1 6.622 0.03 . 1 . . . . 164 PHE HD1 . 11061 1 2033 . 1 1 164 164 PHE HD2 H 1 6.622 0.03 . 1 . . . . 164 PHE HD2 . 11061 1 2034 . 1 1 164 164 PHE HE1 H 1 7.050 0.03 . 1 . . . . 164 PHE HE1 . 11061 1 2035 . 1 1 164 164 PHE HE2 H 1 7.050 0.03 . 1 . . . . 164 PHE HE2 . 11061 1 2036 . 1 1 164 164 PHE HZ H 1 6.201 0.03 . 1 . . . . 164 PHE HZ . 11061 1 2037 . 1 1 164 164 PHE CA C 13 57.032 0.3 . 1 . . . . 164 PHE CA . 11061 1 2038 . 1 1 164 164 PHE CB C 13 39.383 0.3 . 1 . . . . 164 PHE CB . 11061 1 2039 . 1 1 164 164 PHE CD1 C 13 131.170 0.3 . 1 . . . . 164 PHE CD1 . 11061 1 2040 . 1 1 164 164 PHE CD2 C 13 131.170 0.3 . 1 . . . . 164 PHE CD2 . 11061 1 2041 . 1 1 164 164 PHE CE1 C 13 130.952 0.3 . 1 . . . . 164 PHE CE1 . 11061 1 2042 . 1 1 164 164 PHE CE2 C 13 130.952 0.3 . 1 . . . . 164 PHE CE2 . 11061 1 2043 . 1 1 164 164 PHE CZ C 13 129.178 0.3 . 1 . . . . 164 PHE CZ . 11061 1 2044 . 1 1 164 164 PHE N N 15 121.222 0.3 . 1 . . . . 164 PHE N . 11061 1 2045 . 1 1 165 165 GLU H H 1 7.051 0.03 . 1 . . . . 165 GLU H . 11061 1 2046 . 1 1 165 165 GLU HA H 1 4.289 0.03 . 1 . . . . 165 GLU HA . 11061 1 2047 . 1 1 165 165 GLU HB2 H 1 1.563 0.03 . 2 . . . . 165 GLU HB2 . 11061 1 2048 . 1 1 165 165 GLU HB3 H 1 1.451 0.03 . 2 . . . . 165 GLU HB3 . 11061 1 2049 . 1 1 165 165 GLU HG2 H 1 1.976 0.03 . 2 . . . . 165 GLU HG2 . 11061 1 2050 . 1 1 165 165 GLU HG3 H 1 1.817 0.03 . 2 . . . . 165 GLU HG3 . 11061 1 2051 . 1 1 165 165 GLU CA C 13 51.670 0.3 . 1 . . . . 165 GLU CA . 11061 1 2052 . 1 1 165 165 GLU CB C 13 30.443 0.3 . 1 . . . . 165 GLU CB . 11061 1 2053 . 1 1 165 165 GLU CG C 13 35.935 0.3 . 1 . . . . 165 GLU CG . 11061 1 2054 . 1 1 165 165 GLU N N 15 129.918 0.3 . 1 . . . . 165 GLU N . 11061 1 2055 . 1 1 166 166 PRO HA H 1 2.997 0.03 . 1 . . . . 166 PRO HA . 11061 1 2056 . 1 1 166 166 PRO HB2 H 1 1.766 0.03 . 2 . . . . 166 PRO HB2 . 11061 1 2057 . 1 1 166 166 PRO HB3 H 1 1.650 0.03 . 2 . . . . 166 PRO HB3 . 11061 1 2058 . 1 1 166 166 PRO HD2 H 1 3.421 0.03 . 2 . . . . 166 PRO HD2 . 11061 1 2059 . 1 1 166 166 PRO HD3 H 1 2.988 0.03 . 2 . . . . 166 PRO HD3 . 11061 1 2060 . 1 1 166 166 PRO HG2 H 1 1.751 0.03 . 2 . . . . 166 PRO HG2 . 11061 1 2061 . 1 1 166 166 PRO HG3 H 1 1.707 0.03 . 2 . . . . 166 PRO HG3 . 11061 1 2062 . 1 1 166 166 PRO CA C 13 62.356 0.3 . 1 . . . . 166 PRO CA . 11061 1 2063 . 1 1 166 166 PRO CB C 13 32.094 0.3 . 1 . . . . 166 PRO CB . 11061 1 2064 . 1 1 166 166 PRO CD C 13 50.556 0.3 . 1 . . . . 166 PRO CD . 11061 1 2065 . 1 1 166 166 PRO CG C 13 26.667 0.3 . 1 . . . . 166 PRO CG . 11061 1 2066 . 1 1 167 167 TRP H H 1 5.599 0.03 . 1 . . . . 167 TRP H . 11061 1 2067 . 1 1 167 167 TRP HA H 1 4.673 0.03 . 1 . . . . 167 TRP HA . 11061 1 2068 . 1 1 167 167 TRP HB2 H 1 3.444 0.03 . 2 . . . . 167 TRP HB2 . 11061 1 2069 . 1 1 167 167 TRP HB3 H 1 3.291 0.03 . 2 . . . . 167 TRP HB3 . 11061 1 2070 . 1 1 167 167 TRP HD1 H 1 7.463 0.03 . 1 . . . . 167 TRP HD1 . 11061 1 2071 . 1 1 167 167 TRP HE1 H 1 10.522 0.03 . 1 . . . . 167 TRP HE1 . 11061 1 2072 . 1 1 167 167 TRP HE3 H 1 7.108 0.03 . 1 . . . . 167 TRP HE3 . 11061 1 2073 . 1 1 167 167 TRP HH2 H 1 6.601 0.03 . 1 . . . . 167 TRP HH2 . 11061 1 2074 . 1 1 167 167 TRP HZ2 H 1 6.498 0.03 . 1 . . . . 167 TRP HZ2 . 11061 1 2075 . 1 1 167 167 TRP HZ3 H 1 7.405 0.03 . 1 . . . . 167 TRP HZ3 . 11061 1 2076 . 1 1 167 167 TRP CA C 13 60.228 0.3 . 1 . . . . 167 TRP CA . 11061 1 2077 . 1 1 167 167 TRP CB C 13 28.721 0.3 . 1 . . . . 167 TRP CB . 11061 1 2078 . 1 1 167 167 TRP CD1 C 13 128.126 0.3 . 1 . . . . 167 TRP CD1 . 11061 1 2079 . 1 1 167 167 TRP CE3 C 13 118.493 0.3 . 1 . . . . 167 TRP CE3 . 11061 1 2080 . 1 1 167 167 TRP CH2 C 13 124.857 0.3 . 1 . . . . 167 TRP CH2 . 11061 1 2081 . 1 1 167 167 TRP CZ2 C 13 117.469 0.3 . 1 . . . . 167 TRP CZ2 . 11061 1 2082 . 1 1 167 167 TRP N N 15 117.842 0.3 . 1 . . . . 167 TRP N . 11061 1 2083 . 1 1 167 167 TRP NE1 N 15 131.497 0.3 . 1 . . . . 167 TRP NE1 . 11061 1 2084 . 1 1 168 168 GLU H H 1 9.195 0.03 . 1 . . . . 168 GLU H . 11061 1 2085 . 1 1 168 168 GLU HA H 1 4.045 0.03 . 1 . . . . 168 GLU HA . 11061 1 2086 . 1 1 168 168 GLU HB2 H 1 2.068 0.03 . 1 . . . . 168 GLU HB2 . 11061 1 2087 . 1 1 168 168 GLU HB3 H 1 2.068 0.03 . 1 . . . . 168 GLU HB3 . 11061 1 2088 . 1 1 168 168 GLU HG2 H 1 2.353 0.03 . 1 . . . . 168 GLU HG2 . 11061 1 2089 . 1 1 168 168 GLU HG3 H 1 2.353 0.03 . 1 . . . . 168 GLU HG3 . 11061 1 2090 . 1 1 168 168 GLU CA C 13 59.353 0.3 . 1 . . . . 168 GLU CA . 11061 1 2091 . 1 1 168 168 GLU CB C 13 29.741 0.3 . 1 . . . . 168 GLU CB . 11061 1 2092 . 1 1 168 168 GLU CG C 13 36.232 0.3 . 1 . . . . 168 GLU CG . 11061 1 2093 . 1 1 169 169 ASP H H 1 8.745 0.03 . 1 . . . . 169 ASP H . 11061 1 2094 . 1 1 169 169 ASP HA H 1 5.052 0.03 . 1 . . . . 169 ASP HA . 11061 1 2095 . 1 1 169 169 ASP HB2 H 1 3.153 0.03 . 2 . . . . 169 ASP HB2 . 11061 1 2096 . 1 1 170 170 ILE H H 1 7.304 0.03 . 1 . . . . 170 ILE H . 11061 1 2097 . 1 1 170 170 ILE HA H 1 4.306 0.03 . 1 . . . . 170 ILE HA . 11061 1 2098 . 1 1 170 170 ILE HB H 1 1.285 0.03 . 1 . . . . 170 ILE HB . 11061 1 2099 . 1 1 170 170 ILE HG12 H 1 1.777 0.03 . 2 . . . . 170 ILE HG12 . 11061 1 2100 . 1 1 170 170 ILE HG13 H 1 1.253 0.03 . 2 . . . . 170 ILE HG13 . 11061 1 2101 . 1 1 170 170 ILE HG21 H 1 0.965 0.03 . 1 . . . . 170 ILE MG . 11061 1 2102 . 1 1 170 170 ILE HG22 H 1 0.965 0.03 . 1 . . . . 170 ILE MG . 11061 1 2103 . 1 1 170 170 ILE HG23 H 1 0.965 0.03 . 1 . . . . 170 ILE MG . 11061 1 2104 . 1 1 170 170 ILE CA C 13 65.775 0.3 . 1 . . . . 170 ILE CA . 11061 1 2105 . 1 1 170 170 ILE CB C 13 38.480 0.3 . 1 . . . . 170 ILE CB . 11061 1 2106 . 1 1 170 170 ILE CG1 C 13 28.699 0.3 . 1 . . . . 170 ILE CG1 . 11061 1 2107 . 1 1 170 170 ILE CG2 C 13 15.984 0.3 . 1 . . . . 170 ILE CG2 . 11061 1 2108 . 1 1 171 171 GLN H H 1 8.395 0.03 . 1 . . . . 171 GLN H . 11061 1 2109 . 1 1 171 171 GLN HA H 1 4.521 0.03 . 1 . . . . 171 GLN HA . 11061 1 2110 . 1 1 171 171 GLN HB2 H 1 2.240 0.03 . 2 . . . . 171 GLN HB2 . 11061 1 2111 . 1 1 171 171 GLN HB3 H 1 2.103 0.03 . 2 . . . . 171 GLN HB3 . 11061 1 2112 . 1 1 171 171 GLN HE21 H 1 7.354 0.03 . 2 . . . . 171 GLN HE21 . 11061 1 2113 . 1 1 171 171 GLN HE22 H 1 6.756 0.03 . 2 . . . . 171 GLN HE22 . 11061 1 2114 . 1 1 171 171 GLN HG2 H 1 2.594 0.03 . 2 . . . . 171 GLN HG2 . 11061 1 2115 . 1 1 171 171 GLN HG3 H 1 2.403 0.03 . 2 . . . . 171 GLN HG3 . 11061 1 2116 . 1 1 171 171 GLN CA C 13 58.620 0.3 . 1 . . . . 171 GLN CA . 11061 1 2117 . 1 1 171 171 GLN CB C 13 28.333 0.3 . 1 . . . . 171 GLN CB . 11061 1 2118 . 1 1 171 171 GLN CG C 13 33.046 0.3 . 1 . . . . 171 GLN CG . 11061 1 2119 . 1 1 171 171 GLN N N 15 123.400 0.3 . 1 . . . . 171 GLN N . 11061 1 2120 . 1 1 171 171 GLN NE2 N 15 108.606 0.3 . 1 . . . . 171 GLN NE2 . 11061 1 2121 . 1 1 172 172 GLU H H 1 9.001 0.03 . 1 . . . . 172 GLU H . 11061 1 2122 . 1 1 172 172 GLU HA H 1 3.955 0.03 . 1 . . . . 172 GLU HA . 11061 1 2123 . 1 1 172 172 GLU HB2 H 1 2.076 0.03 . 2 . . . . 172 GLU HB2 . 11061 1 2124 . 1 1 172 172 GLU HB3 H 1 1.990 0.03 . 2 . . . . 172 GLU HB3 . 11061 1 2125 . 1 1 172 172 GLU HG2 H 1 2.573 0.03 . 2 . . . . 172 GLU HG2 . 11061 1 2126 . 1 1 172 172 GLU HG3 H 1 2.315 0.03 . 2 . . . . 172 GLU HG3 . 11061 1 2127 . 1 1 172 172 GLU CA C 13 61.085 0.3 . 1 . . . . 172 GLU CA . 11061 1 2128 . 1 1 172 172 GLU CB C 13 28.864 0.3 . 1 . . . . 172 GLU CB . 11061 1 2129 . 1 1 172 172 GLU CG C 13 37.620 0.3 . 1 . . . . 172 GLU CG . 11061 1 2130 . 1 1 173 173 ASN H H 1 8.762 0.03 . 1 . . . . 173 ASN H . 11061 1 2131 . 1 1 173 173 ASN HA H 1 4.611 0.03 . 1 . . . . 173 ASN HA . 11061 1 2132 . 1 1 173 173 ASN HB2 H 1 3.384 0.03 . 2 . . . . 173 ASN HB2 . 11061 1 2133 . 1 1 173 173 ASN HB3 H 1 2.926 0.03 . 2 . . . . 173 ASN HB3 . 11061 1 2134 . 1 1 173 173 ASN HD21 H 1 7.509 0.03 . 2 . . . . 173 ASN HD21 . 11061 1 2135 . 1 1 173 173 ASN CA C 13 55.706 0.3 . 1 . . . . 173 ASN CA . 11061 1 2136 . 1 1 173 173 ASN CB C 13 38.037 0.3 . 1 . . . . 173 ASN CB . 11061 1 2137 . 1 1 174 174 PHE H H 1 8.125 0.03 . 1 . . . . 174 PHE H . 11061 1 2138 . 1 1 174 174 PHE HA H 1 5.005 0.03 . 1 . . . . 174 PHE HA . 11061 1 2139 . 1 1 174 174 PHE HB2 H 1 3.545 0.03 . 2 . . . . 174 PHE HB2 . 11061 1 2140 . 1 1 174 174 PHE HB3 H 1 3.940 0.03 . 2 . . . . 174 PHE HB3 . 11061 1 2141 . 1 1 174 174 PHE HD1 H 1 7.458 0.03 . 1 . . . . 174 PHE HD1 . 11061 1 2142 . 1 1 174 174 PHE HD2 H 1 7.458 0.03 . 1 . . . . 174 PHE HD2 . 11061 1 2143 . 1 1 174 174 PHE HE1 H 1 7.340 0.03 . 1 . . . . 174 PHE HE1 . 11061 1 2144 . 1 1 174 174 PHE HE2 H 1 7.340 0.03 . 1 . . . . 174 PHE HE2 . 11061 1 2145 . 1 1 174 174 PHE HZ H 1 7.324 0.03 . 1 . . . . 174 PHE HZ . 11061 1 2146 . 1 1 174 174 PHE C C 13 176.377 0.3 . 1 . . . . 174 PHE C . 11061 1 2147 . 1 1 174 174 PHE CA C 13 60.795 0.3 . 1 . . . . 174 PHE CA . 11061 1 2148 . 1 1 174 174 PHE CB C 13 37.794 0.3 . 1 . . . . 174 PHE CB . 11061 1 2149 . 1 1 174 174 PHE CD1 C 13 133.412 0.3 . 1 . . . . 174 PHE CD1 . 11061 1 2150 . 1 1 174 174 PHE CD2 C 13 133.412 0.3 . 1 . . . . 174 PHE CD2 . 11061 1 2151 . 1 1 174 174 PHE CE1 C 13 131.293 0.3 . 1 . . . . 174 PHE CE1 . 11061 1 2152 . 1 1 174 174 PHE CE2 C 13 131.293 0.3 . 1 . . . . 174 PHE CE2 . 11061 1 2153 . 1 1 174 174 PHE CZ C 13 130.409 0.3 . 1 . . . . 174 PHE CZ . 11061 1 2154 . 1 1 175 175 LEU H H 1 8.128 0.03 . 1 . . . . 175 LEU H . 11061 1 2155 . 1 1 175 175 LEU HA H 1 3.415 0.03 . 1 . . . . 175 LEU HA . 11061 1 2156 . 1 1 175 175 LEU HB2 H 1 1.398 0.03 . 2 . . . . 175 LEU HB2 . 11061 1 2157 . 1 1 175 175 LEU HB3 H 1 1.880 0.03 . 2 . . . . 175 LEU HB3 . 11061 1 2158 . 1 1 175 175 LEU HD11 H 1 0.972 0.03 . 1 . . . . 175 LEU MD1 . 11061 1 2159 . 1 1 175 175 LEU HD12 H 1 0.972 0.03 . 1 . . . . 175 LEU MD1 . 11061 1 2160 . 1 1 175 175 LEU HD13 H 1 0.972 0.03 . 1 . . . . 175 LEU MD1 . 11061 1 2161 . 1 1 175 175 LEU HD21 H 1 0.844 0.03 . 1 . . . . 175 LEU MD2 . 11061 1 2162 . 1 1 175 175 LEU HD22 H 1 0.844 0.03 . 1 . . . . 175 LEU MD2 . 11061 1 2163 . 1 1 175 175 LEU HD23 H 1 0.844 0.03 . 1 . . . . 175 LEU MD2 . 11061 1 2164 . 1 1 175 175 LEU HG H 1 1.859 0.03 . 1 . . . . 175 LEU HG . 11061 1 2165 . 1 1 175 175 LEU C C 13 180.027 0.3 . 1 . . . . 175 LEU C . 11061 1 2166 . 1 1 175 175 LEU CA C 13 57.769 0.3 . 1 . . . . 175 LEU CA . 11061 1 2167 . 1 1 175 175 LEU CB C 13 41.865 0.3 . 1 . . . . 175 LEU CB . 11061 1 2168 . 1 1 175 175 LEU CD1 C 13 25.978 0.3 . 2 . . . . 175 LEU CD1 . 11061 1 2169 . 1 1 175 175 LEU CD2 C 13 23.227 0.3 . 2 . . . . 175 LEU CD2 . 11061 1 2170 . 1 1 175 175 LEU CG C 13 26.723 0.3 . 1 . . . . 175 LEU CG . 11061 1 2171 . 1 1 175 175 LEU N N 15 120.544 0.3 . 1 . . . . 175 LEU N . 11061 1 2172 . 1 1 176 176 TYR H H 1 7.907 0.03 . 1 . . . . 176 TYR H . 11061 1 2173 . 1 1 176 176 TYR HA H 1 4.081 0.03 . 1 . . . . 176 TYR HA . 11061 1 2174 . 1 1 176 176 TYR HB2 H 1 3.084 0.03 . 1 . . . . 176 TYR HB2 . 11061 1 2175 . 1 1 176 176 TYR HB3 H 1 3.084 0.03 . 1 . . . . 176 TYR HB3 . 11061 1 2176 . 1 1 176 176 TYR HD1 H 1 6.296 0.03 . 1 . . . . 176 TYR HD1 . 11061 1 2177 . 1 1 176 176 TYR HD2 H 1 6.296 0.03 . 1 . . . . 176 TYR HD2 . 11061 1 2178 . 1 1 176 176 TYR HE1 H 1 6.498 0.03 . 1 . . . . 176 TYR HE1 . 11061 1 2179 . 1 1 176 176 TYR HE2 H 1 6.498 0.03 . 1 . . . . 176 TYR HE2 . 11061 1 2180 . 1 1 176 176 TYR C C 13 177.637 0.3 . 1 . . . . 176 TYR C . 11061 1 2181 . 1 1 176 176 TYR CA C 13 61.132 0.3 . 1 . . . . 176 TYR CA . 11061 1 2182 . 1 1 176 176 TYR CB C 13 38.278 0.3 . 1 . . . . 176 TYR CB . 11061 1 2183 . 1 1 176 176 TYR CD1 C 13 133.343 0.3 . 1 . . . . 176 TYR CD1 . 11061 1 2184 . 1 1 176 176 TYR CD2 C 13 133.343 0.3 . 1 . . . . 176 TYR CD2 . 11061 1 2185 . 1 1 176 176 TYR CE1 C 13 117.959 0.3 . 1 . . . . 176 TYR CE1 . 11061 1 2186 . 1 1 176 176 TYR CE2 C 13 117.959 0.3 . 1 . . . . 176 TYR CE2 . 11061 1 2187 . 1 1 176 176 TYR N N 15 120.407 0.3 . 1 . . . . 176 TYR N . 11061 1 2188 . 1 1 177 177 TYR H H 1 8.053 0.03 . 1 . . . . 177 TYR H . 11061 1 2189 . 1 1 177 177 TYR HA H 1 3.916 0.03 . 1 . . . . 177 TYR HA . 11061 1 2190 . 1 1 177 177 TYR HB2 H 1 2.958 0.03 . 2 . . . . 177 TYR HB2 . 11061 1 2191 . 1 1 177 177 TYR HB3 H 1 3.172 0.03 . 2 . . . . 177 TYR HB3 . 11061 1 2192 . 1 1 177 177 TYR HD1 H 1 7.216 0.03 . 1 . . . . 177 TYR HD1 . 11061 1 2193 . 1 1 177 177 TYR HD2 H 1 7.216 0.03 . 1 . . . . 177 TYR HD2 . 11061 1 2194 . 1 1 177 177 TYR HE1 H 1 7.121 0.03 . 1 . . . . 177 TYR HE1 . 11061 1 2195 . 1 1 177 177 TYR HE2 H 1 7.121 0.03 . 1 . . . . 177 TYR HE2 . 11061 1 2196 . 1 1 177 177 TYR C C 13 177.518 0.3 . 1 . . . . 177 TYR C . 11061 1 2197 . 1 1 177 177 TYR CA C 13 62.588 0.3 . 1 . . . . 177 TYR CA . 11061 1 2198 . 1 1 177 177 TYR CB C 13 38.317 0.3 . 1 . . . . 177 TYR CB . 11061 1 2199 . 1 1 177 177 TYR CD1 C 13 133.481 0.3 . 1 . . . . 177 TYR CD1 . 11061 1 2200 . 1 1 177 177 TYR CD2 C 13 133.481 0.3 . 1 . . . . 177 TYR CD2 . 11061 1 2201 . 1 1 177 177 TYR CE1 C 13 118.750 0.3 . 1 . . . . 177 TYR CE1 . 11061 1 2202 . 1 1 177 177 TYR CE2 C 13 118.750 0.3 . 1 . . . . 177 TYR CE2 . 11061 1 2203 . 1 1 177 177 TYR N N 15 117.344 0.3 . 1 . . . . 177 TYR N . 11061 1 2204 . 1 1 178 178 GLU H H 1 9.327 0.03 . 1 . . . . 178 GLU H . 11061 1 2205 . 1 1 178 178 GLU HA H 1 3.887 0.03 . 1 . . . . 178 GLU HA . 11061 1 2206 . 1 1 178 178 GLU HB2 H 1 1.721 0.03 . 2 . . . . 178 GLU HB2 . 11061 1 2207 . 1 1 178 178 GLU HB3 H 1 1.643 0.03 . 2 . . . . 178 GLU HB3 . 11061 1 2208 . 1 1 178 178 GLU HG2 H 1 2.124 0.03 . 2 . . . . 178 GLU HG2 . 11061 1 2209 . 1 1 178 178 GLU HG3 H 1 2.030 0.03 . 2 . . . . 178 GLU HG3 . 11061 1 2210 . 1 1 178 178 GLU C C 13 179.188 0.3 . 1 . . . . 178 GLU C . 11061 1 2211 . 1 1 178 178 GLU CA C 13 60.059 0.3 . 1 . . . . 178 GLU CA . 11061 1 2212 . 1 1 178 178 GLU CB C 13 29.566 0.3 . 1 . . . . 178 GLU CB . 11061 1 2213 . 1 1 178 178 GLU CG C 13 36.282 0.3 . 1 . . . . 178 GLU CG . 11061 1 2214 . 1 1 178 178 GLU N N 15 123.250 0.3 . 1 . . . . 178 GLU N . 11061 1 2215 . 1 1 179 179 GLU H H 1 7.623 0.03 . 1 . . . . 179 GLU H . 11061 1 2216 . 1 1 179 179 GLU HA H 1 3.957 0.03 . 1 . . . . 179 GLU HA . 11061 1 2217 . 1 1 179 179 GLU HB2 H 1 1.921 0.03 . 2 . . . . 179 GLU HB2 . 11061 1 2218 . 1 1 179 179 GLU HB3 H 1 1.997 0.03 . 2 . . . . 179 GLU HB3 . 11061 1 2219 . 1 1 179 179 GLU HG2 H 1 2.278 0.03 . 2 . . . . 179 GLU HG2 . 11061 1 2220 . 1 1 179 179 GLU HG3 H 1 2.028 0.03 . 2 . . . . 179 GLU HG3 . 11061 1 2221 . 1 1 179 179 GLU C C 13 178.528 0.3 . 1 . . . . 179 GLU C . 11061 1 2222 . 1 1 179 179 GLU CA C 13 59.175 0.3 . 1 . . . . 179 GLU CA . 11061 1 2223 . 1 1 179 179 GLU CB C 13 29.458 0.3 . 1 . . . . 179 GLU CB . 11061 1 2224 . 1 1 179 179 GLU CG C 13 36.228 0.3 . 1 . . . . 179 GLU CG . 11061 1 2225 . 1 1 179 179 GLU N N 15 119.641 0.3 . 1 . . . . 179 GLU N . 11061 1 2226 . 1 1 180 180 LYS H H 1 7.161 0.03 . 1 . . . . 180 LYS H . 11061 1 2227 . 1 1 180 180 LYS HA H 1 3.786 0.03 . 1 . . . . 180 LYS HA . 11061 1 2228 . 1 1 180 180 LYS HB2 H 1 1.319 0.03 . 2 . . . . 180 LYS HB2 . 11061 1 2229 . 1 1 180 180 LYS HB3 H 1 0.925 0.03 . 2 . . . . 180 LYS HB3 . 11061 1 2230 . 1 1 180 180 LYS HD2 H 1 0.675 0.03 . 2 . . . . 180 LYS HD2 . 11061 1 2231 . 1 1 180 180 LYS HD3 H 1 0.531 0.03 . 2 . . . . 180 LYS HD3 . 11061 1 2232 . 1 1 180 180 LYS HE2 H 1 2.185 0.03 . 2 . . . . 180 LYS HE2 . 11061 1 2233 . 1 1 180 180 LYS HE3 H 1 1.862 0.03 . 2 . . . . 180 LYS HE3 . 11061 1 2234 . 1 1 180 180 LYS HG2 H 1 0.635 0.03 . 2 . . . . 180 LYS HG2 . 11061 1 2235 . 1 1 180 180 LYS HG3 H 1 0.008 0.03 . 2 . . . . 180 LYS HG3 . 11061 1 2236 . 1 1 180 180 LYS C C 13 179.202 0.3 . 1 . . . . 180 LYS C . 11061 1 2237 . 1 1 180 180 LYS CA C 13 57.368 0.3 . 1 . . . . 180 LYS CA . 11061 1 2238 . 1 1 180 180 LYS CB C 13 30.788 0.3 . 1 . . . . 180 LYS CB . 11061 1 2239 . 1 1 180 180 LYS CD C 13 26.578 0.3 . 1 . . . . 180 LYS CD . 11061 1 2240 . 1 1 180 180 LYS CE C 13 41.926 0.3 . 1 . . . . 180 LYS CE . 11061 1 2241 . 1 1 180 180 LYS CG C 13 22.789 0.3 . 1 . . . . 180 LYS CG . 11061 1 2242 . 1 1 180 180 LYS N N 15 116.481 0.3 . 1 . . . . 180 LYS N . 11061 1 2243 . 1 1 181 181 LEU H H 1 8.511 0.03 . 1 . . . . 181 LEU H . 11061 1 2244 . 1 1 181 181 LEU HA H 1 3.963 0.03 . 1 . . . . 181 LEU HA . 11061 1 2245 . 1 1 181 181 LEU HB2 H 1 1.405 0.03 . 2 . . . . 181 LEU HB2 . 11061 1 2246 . 1 1 181 181 LEU HB3 H 1 2.017 0.03 . 2 . . . . 181 LEU HB3 . 11061 1 2247 . 1 1 181 181 LEU HD11 H 1 0.849 0.03 . 1 . . . . 181 LEU MD1 . 11061 1 2248 . 1 1 181 181 LEU HD12 H 1 0.849 0.03 . 1 . . . . 181 LEU MD1 . 11061 1 2249 . 1 1 181 181 LEU HD13 H 1 0.849 0.03 . 1 . . . . 181 LEU MD1 . 11061 1 2250 . 1 1 181 181 LEU HD21 H 1 0.891 0.03 . 1 . . . . 181 LEU MD2 . 11061 1 2251 . 1 1 181 181 LEU HD22 H 1 0.891 0.03 . 1 . . . . 181 LEU MD2 . 11061 1 2252 . 1 1 181 181 LEU HD23 H 1 0.891 0.03 . 1 . . . . 181 LEU MD2 . 11061 1 2253 . 1 1 181 181 LEU HG H 1 1.718 0.03 . 1 . . . . 181 LEU HG . 11061 1 2254 . 1 1 181 181 LEU C C 13 177.743 0.3 . 1 . . . . 181 LEU C . 11061 1 2255 . 1 1 181 181 LEU CA C 13 57.752 0.3 . 1 . . . . 181 LEU CA . 11061 1 2256 . 1 1 181 181 LEU CB C 13 41.140 0.3 . 1 . . . . 181 LEU CB . 11061 1 2257 . 1 1 181 181 LEU CD1 C 13 25.449 0.3 . 2 . . . . 181 LEU CD1 . 11061 1 2258 . 1 1 181 181 LEU CD2 C 13 22.875 0.3 . 2 . . . . 181 LEU CD2 . 11061 1 2259 . 1 1 181 181 LEU CG C 13 26.664 0.3 . 1 . . . . 181 LEU CG . 11061 1 2260 . 1 1 181 181 LEU N N 15 118.964 0.3 . 1 . . . . 181 LEU N . 11061 1 2261 . 1 1 182 182 ALA H H 1 8.002 0.03 . 1 . . . . 182 ALA H . 11061 1 2262 . 1 1 182 182 ALA HA H 1 4.020 0.03 . 1 . . . . 182 ALA HA . 11061 1 2263 . 1 1 182 182 ALA HB1 H 1 1.454 0.03 . 1 . . . . 182 ALA MB . 11061 1 2264 . 1 1 182 182 ALA HB2 H 1 1.454 0.03 . 1 . . . . 182 ALA MB . 11061 1 2265 . 1 1 182 182 ALA HB3 H 1 1.454 0.03 . 1 . . . . 182 ALA MB . 11061 1 2266 . 1 1 182 182 ALA C C 13 180.625 0.3 . 1 . . . . 182 ALA C . 11061 1 2267 . 1 1 182 182 ALA CA C 13 55.190 0.3 . 1 . . . . 182 ALA CA . 11061 1 2268 . 1 1 182 182 ALA CB C 13 17.924 0.3 . 1 . . . . 182 ALA CB . 11061 1 2269 . 1 1 182 182 ALA N N 15 120.335 0.3 . 1 . . . . 182 ALA N . 11061 1 2270 . 1 1 183 183 ASP H H 1 7.758 0.03 . 1 . . . . 183 ASP H . 11061 1 2271 . 1 1 183 183 ASP HA H 1 4.400 0.03 . 1 . . . . 183 ASP HA . 11061 1 2272 . 1 1 183 183 ASP HB2 H 1 2.682 0.03 . 2 . . . . 183 ASP HB2 . 11061 1 2273 . 1 1 183 183 ASP HB3 H 1 2.789 0.03 . 2 . . . . 183 ASP HB3 . 11061 1 2274 . 1 1 183 183 ASP C C 13 178.793 0.3 . 1 . . . . 183 ASP C . 11061 1 2275 . 1 1 183 183 ASP CA C 13 57.256 0.3 . 1 . . . . 183 ASP CA . 11061 1 2276 . 1 1 183 183 ASP CB C 13 41.140 0.3 . 1 . . . . 183 ASP CB . 11061 1 2277 . 1 1 183 183 ASP N N 15 117.269 0.3 . 1 . . . . 183 ASP N . 11061 1 2278 . 1 1 184 184 ILE H H 1 7.785 0.03 . 1 . . . . 184 ILE H . 11061 1 2279 . 1 1 184 184 ILE HA H 1 3.794 0.03 . 1 . . . . 184 ILE HA . 11061 1 2280 . 1 1 184 184 ILE HB H 1 2.024 0.03 . 1 . . . . 184 ILE HB . 11061 1 2281 . 1 1 184 184 ILE HD11 H 1 1.072 0.03 . 1 . . . . 184 ILE MD . 11061 1 2282 . 1 1 184 184 ILE HD12 H 1 1.072 0.03 . 1 . . . . 184 ILE MD . 11061 1 2283 . 1 1 184 184 ILE HD13 H 1 1.072 0.03 . 1 . . . . 184 ILE MD . 11061 1 2284 . 1 1 184 184 ILE HG12 H 1 2.074 0.03 . 2 . . . . 184 ILE HG12 . 11061 1 2285 . 1 1 184 184 ILE HG13 H 1 1.071 0.03 . 2 . . . . 184 ILE HG13 . 11061 1 2286 . 1 1 184 184 ILE HG21 H 1 1.017 0.03 . 1 . . . . 184 ILE MG . 11061 1 2287 . 1 1 184 184 ILE HG22 H 1 1.017 0.03 . 1 . . . . 184 ILE MG . 11061 1 2288 . 1 1 184 184 ILE HG23 H 1 1.017 0.03 . 1 . . . . 184 ILE MG . 11061 1 2289 . 1 1 184 184 ILE C C 13 177.790 0.3 . 1 . . . . 184 ILE C . 11061 1 2290 . 1 1 184 184 ILE CA C 13 65.002 0.3 . 1 . . . . 184 ILE CA . 11061 1 2291 . 1 1 184 184 ILE CB C 13 39.075 0.3 . 1 . . . . 184 ILE CB . 11061 1 2292 . 1 1 184 184 ILE CD1 C 13 14.970 0.3 . 1 . . . . 184 ILE CD1 . 11061 1 2293 . 1 1 184 184 ILE CG1 C 13 29.550 0.3 . 1 . . . . 184 ILE CG1 . 11061 1 2294 . 1 1 184 184 ILE CG2 C 13 18.163 0.3 . 1 . . . . 184 ILE CG2 . 11061 1 2295 . 1 1 184 184 ILE N N 15 119.587 0.3 . 1 . . . . 184 ILE N . 11061 1 2296 . 1 1 185 185 LEU H H 1 8.167 0.03 . 1 . . . . 185 LEU H . 11061 1 2297 . 1 1 185 185 LEU HA H 1 4.214 0.03 . 1 . . . . 185 LEU HA . 11061 1 2298 . 1 1 185 185 LEU HB2 H 1 1.536 0.03 . 2 . . . . 185 LEU HB2 . 11061 1 2299 . 1 1 185 185 LEU HB3 H 1 1.871 0.03 . 2 . . . . 185 LEU HB3 . 11061 1 2300 . 1 1 185 185 LEU HD11 H 1 0.941 0.03 . 1 . . . . 185 LEU MD1 . 11061 1 2301 . 1 1 185 185 LEU HD12 H 1 0.941 0.03 . 1 . . . . 185 LEU MD1 . 11061 1 2302 . 1 1 185 185 LEU HD13 H 1 0.941 0.03 . 1 . . . . 185 LEU MD1 . 11061 1 2303 . 1 1 185 185 LEU HD21 H 1 0.761 0.03 . 1 . . . . 185 LEU MD2 . 11061 1 2304 . 1 1 185 185 LEU HD22 H 1 0.761 0.03 . 1 . . . . 185 LEU MD2 . 11061 1 2305 . 1 1 185 185 LEU HD23 H 1 0.761 0.03 . 1 . . . . 185 LEU MD2 . 11061 1 2306 . 1 1 185 185 LEU HG H 1 1.923 0.03 . 1 . . . . 185 LEU HG . 11061 1 2307 . 1 1 185 185 LEU C C 13 177.599 0.3 . 1 . . . . 185 LEU C . 11061 1 2308 . 1 1 185 185 LEU CA C 13 55.797 0.3 . 1 . . . . 185 LEU CA . 11061 1 2309 . 1 1 185 185 LEU CB C 13 41.268 0.3 . 1 . . . . 185 LEU CB . 11061 1 2310 . 1 1 185 185 LEU CD1 C 13 26.065 0.3 . 2 . . . . 185 LEU CD1 . 11061 1 2311 . 1 1 185 185 LEU CD2 C 13 22.391 0.3 . 2 . . . . 185 LEU CD2 . 11061 1 2312 . 1 1 185 185 LEU CG C 13 26.363 0.3 . 1 . . . . 185 LEU CG . 11061 1 2313 . 1 1 185 185 LEU N N 15 115.663 0.3 . 1 . . . . 185 LEU N . 11061 1 2314 . 1 1 186 186 LYS H H 1 7.567 0.03 . 1 . . . . 186 LYS H . 11061 1 2315 . 1 1 186 186 LYS HA H 1 4.276 0.03 . 1 . . . . 186 LYS HA . 11061 1 2316 . 1 1 186 186 LYS HB2 H 1 1.914 0.03 . 2 . . . . 186 LYS HB2 . 11061 1 2317 . 1 1 186 186 LYS HB3 H 1 2.011 0.03 . 2 . . . . 186 LYS HB3 . 11061 1 2318 . 1 1 186 186 LYS HD2 H 1 1.715 0.03 . 1 . . . . 186 LYS HD2 . 11061 1 2319 . 1 1 186 186 LYS HD3 H 1 1.715 0.03 . 1 . . . . 186 LYS HD3 . 11061 1 2320 . 1 1 186 186 LYS HE2 H 1 3.012 0.03 . 1 . . . . 186 LYS HE2 . 11061 1 2321 . 1 1 186 186 LYS HE3 H 1 3.012 0.03 . 1 . . . . 186 LYS HE3 . 11061 1 2322 . 1 1 186 186 LYS HG2 H 1 1.458 0.03 . 2 . . . . 186 LYS HG2 . 11061 1 2323 . 1 1 186 186 LYS HG3 H 1 1.557 0.03 . 2 . . . . 186 LYS HG3 . 11061 1 2324 . 1 1 186 186 LYS C C 13 176.536 0.3 . 1 . . . . 186 LYS C . 11061 1 2325 . 1 1 186 186 LYS CA C 13 57.240 0.3 . 1 . . . . 186 LYS CA . 11061 1 2326 . 1 1 186 186 LYS CB C 13 32.384 0.3 . 1 . . . . 186 LYS CB . 11061 1 2327 . 1 1 186 186 LYS CD C 13 29.566 0.3 . 1 . . . . 186 LYS CD . 11061 1 2328 . 1 1 186 186 LYS CE C 13 42.357 0.3 . 1 . . . . 186 LYS CE . 11061 1 2329 . 1 1 186 186 LYS CG C 13 24.483 0.3 . 1 . . . . 186 LYS CG . 11061 1 2330 . 1 1 186 186 LYS N N 15 118.990 0.3 . 1 . . . . 186 LYS N . 11061 1 2331 . 1 1 187 187 SER H H 1 8.113 0.03 . 1 . . . . 187 SER H . 11061 1 2332 . 1 1 187 187 SER HA H 1 4.512 0.03 . 1 . . . . 187 SER HA . 11061 1 2333 . 1 1 187 187 SER HB2 H 1 3.946 0.03 . 1 . . . . 187 SER HB2 . 11061 1 2334 . 1 1 187 187 SER HB3 H 1 3.946 0.03 . 1 . . . . 187 SER HB3 . 11061 1 2335 . 1 1 187 187 SER C C 13 174.636 0.3 . 1 . . . . 187 SER C . 11061 1 2336 . 1 1 187 187 SER CA C 13 58.617 0.3 . 1 . . . . 187 SER CA . 11061 1 2337 . 1 1 187 187 SER CB C 13 64.415 0.3 . 1 . . . . 187 SER CB . 11061 1 2338 . 1 1 187 187 SER N N 15 116.330 0.3 . 1 . . . . 187 SER N . 11061 1 2339 . 1 1 188 188 GLY H H 1 8.324 0.03 . 1 . . . . 188 GLY H . 11061 1 2340 . 1 1 188 188 GLY HA2 H 1 4.210 0.03 . 2 . . . . 188 GLY HA2 . 11061 1 2341 . 1 1 188 188 GLY HA3 H 1 4.103 0.03 . 2 . . . . 188 GLY HA3 . 11061 1 2342 . 1 1 188 188 GLY CA C 13 44.788 0.3 . 1 . . . . 188 GLY CA . 11061 1 2343 . 1 1 188 188 GLY N N 15 110.533 0.3 . 1 . . . . 188 GLY N . 11061 1 2344 . 1 1 189 189 PRO HA H 1 4.501 0.03 . 1 . . . . 189 PRO HA . 11061 1 2345 . 1 1 189 189 PRO HB2 H 1 1.997 0.03 . 2 . . . . 189 PRO HB2 . 11061 1 2346 . 1 1 189 189 PRO HB3 H 1 2.311 0.03 . 2 . . . . 189 PRO HB3 . 11061 1 2347 . 1 1 189 189 PRO HD2 H 1 3.641 0.03 . 1 . . . . 189 PRO HD2 . 11061 1 2348 . 1 1 189 189 PRO HD3 H 1 3.641 0.03 . 1 . . . . 189 PRO HD3 . 11061 1 2349 . 1 1 189 189 PRO HG2 H 1 2.031 0.03 . 1 . . . . 189 PRO HG2 . 11061 1 2350 . 1 1 189 189 PRO HG3 H 1 2.031 0.03 . 1 . . . . 189 PRO HG3 . 11061 1 2351 . 1 1 189 189 PRO C C 13 177.436 0.3 . 1 . . . . 189 PRO C . 11061 1 2352 . 1 1 189 189 PRO CA C 13 63.358 0.3 . 1 . . . . 189 PRO CA . 11061 1 2353 . 1 1 189 189 PRO CB C 13 32.356 0.3 . 1 . . . . 189 PRO CB . 11061 1 2354 . 1 1 189 189 PRO CD C 13 49.910 0.3 . 1 . . . . 189 PRO CD . 11061 1 2355 . 1 1 189 189 PRO CG C 13 27.314 0.3 . 1 . . . . 189 PRO CG . 11061 1 2356 . 1 1 190 190 SER H H 1 8.590 0.03 . 1 . . . . 190 SER H . 11061 1 2357 . 1 1 190 190 SER HA H 1 4.507 0.03 . 1 . . . . 190 SER HA . 11061 1 2358 . 1 1 190 190 SER HB2 H 1 3.930 0.03 . 1 . . . . 190 SER HB2 . 11061 1 2359 . 1 1 190 190 SER HB3 H 1 3.930 0.03 . 1 . . . . 190 SER HB3 . 11061 1 2360 . 1 1 190 190 SER C C 13 174.642 0.3 . 1 . . . . 190 SER C . 11061 1 2361 . 1 1 190 190 SER CA C 13 58.481 0.3 . 1 . . . . 190 SER CA . 11061 1 2362 . 1 1 190 190 SER CB C 13 63.850 0.3 . 1 . . . . 190 SER CB . 11061 1 2363 . 1 1 190 190 SER N N 15 116.531 0.3 . 1 . . . . 190 SER N . 11061 1 2364 . 1 1 191 191 SER H H 1 8.339 0.03 . 1 . . . . 191 SER H . 11061 1 2365 . 1 1 191 191 SER HA H 1 4.512 0.03 . 1 . . . . 191 SER HA . 11061 1 2366 . 1 1 191 191 SER HB2 H 1 3.902 0.03 . 1 . . . . 191 SER HB2 . 11061 1 2367 . 1 1 191 191 SER HB3 H 1 3.902 0.03 . 1 . . . . 191 SER HB3 . 11061 1 2368 . 1 1 191 191 SER C C 13 173.935 0.3 . 1 . . . . 191 SER C . 11061 1 2369 . 1 1 191 191 SER CA C 13 58.430 0.3 . 1 . . . . 191 SER CA . 11061 1 2370 . 1 1 191 191 SER CB C 13 64.073 0.3 . 1 . . . . 191 SER CB . 11061 1 2371 . 1 1 191 191 SER N N 15 117.712 0.3 . 1 . . . . 191 SER N . 11061 1 2372 . 1 1 192 192 GLY H H 1 8.065 0.03 . 1 . . . . 192 GLY H . 11061 1 2373 . 1 1 192 192 GLY HA2 H 1 3.792 0.03 . 1 . . . . 192 GLY HA2 . 11061 1 2374 . 1 1 192 192 GLY HA3 H 1 3.792 0.03 . 1 . . . . 192 GLY HA3 . 11061 1 2375 . 1 1 192 192 GLY C C 13 179.006 0.3 . 1 . . . . 192 GLY C . 11061 1 2376 . 1 1 192 192 GLY CA C 13 46.342 0.3 . 1 . . . . 192 GLY CA . 11061 1 2377 . 1 1 192 192 GLY N N 15 116.903 0.3 . 1 . . . . 192 GLY N . 11061 1 stop_ save_