data_52158 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52158 _Entry.Title ; NMR analysis of the homodimeric structure of a D-Ala-D-Ala metallopeptidase, VanX, from vancomycin-resistant bacteria ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-10-01 _Entry.Accession_date 2023-10-01 _Entry.Last_release_date 2023-10-02 _Entry.Original_release_date 2023-10-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'at pH 4.0 and 7.0' _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.ORCID _Entry_author.Entry_ID 1 Tsuyoshi Konuma . . . . 52158 2 Tomoyo Takai . . . . 52158 3 Chieko Tsuchiya . . . . 52158 4 Masayuki Nishida . . . . 52158 5 Miyu Hashiba . . . . 52158 6 Yudai Yamada . . . . 52158 7 Haruka Shirai . . . . 52158 8 Ayaka Oe . . . . 52158 9 Aritaka Nagadoi . . . . 52158 10 Eriko Chikaishi . . . . 52158 11 Ken-ichi Akagi . . . . 52158 12 Satoko Akashi . . . . 52158 13 Toshio Yamazaki . . . . 52158 14 Hideo Akutsu . . . . 52158 15 Takahisa Ikegami . . . 0000-0002-1429-1844 52158 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 52158 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 1171 52158 '15N chemical shifts' 383 52158 '1H chemical shifts' 381 52158 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 . . 2023-10-09 . original BMRB . 52158 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1r44 'Crystal Structure of VanX' 52158 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52158 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR analysis of the homodimeric structure of a D-Ala-D-Ala metallopeptidase, VanX, from vancomycin-resistant bacteria ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Tsuyoshi Konuma . . . . 52158 1 2 Tomoyo Takai . . . . 52158 1 3 Chieko Tsuchiya . . . . 52158 1 4 Masayuki Nishida . . . . 52158 1 5 Miyu Hashiba . . . . 52158 1 6 Yudai Yamada . . . . 52158 1 7 Haruka Shirai . . . . 52158 1 8 Ayaka Oe . . . . 52158 1 9 Aritaka Nagadoi . . . . 52158 1 10 Eriko Chikaishi . . . . 52158 1 11 Ken-ichi Akagi . . . . 52158 1 12 Satoko Akashi . . . . 52158 1 13 Toshio Yamazaki . . . . 52158 1 14 Hideo Akutsu . . . . 52158 1 15 Takahisa Ikegami . . . . 52158 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52158 _Assembly.ID 1 _Assembly.Name 'VanX, homodimer' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 2 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; There is one zinc ion attached to each subunit. The active site of VanX coordinates the zinc ion (Zn2+) through His116, Asp123, Glu181, and His184. ; _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 'VanX, chain 1' 1 $entity_1 . . yes native no no . . . 52158 1 2 'VanX, chain 2' 1 $entity_1 . . no native no no . . . 52158 1 3 'Zn2+, 1' 2 $entity_ZN . . no native no no . . . 52158 1 4 'Zn2+, 2' 2 $entity_ZN . . no native no no . . . 52158 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_asym_ID_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_asym_ID_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 . 1 HIS 124 124 NE2 . 3 . 2 ZN 1 1 ZN . . . 116 HIS NE2 . . . . . . 52158 1 2 coordination single . 1 . 1 ASP 131 131 OD2 . 3 . 2 ZN 1 1 ZN . . . 123 ASP OD2 . . . . . . 52158 1 3 coordination single . 1 . 1 GLU 189 189 OE2 . 3 . 2 ZN 1 1 ZN . . . 181 GLU OE2 . . . . . . 52158 1 4 coordination single . 1 . 1 HIS 192 192 NE2 . 3 . 2 ZN 1 1 ZN . . . 184 HIS NE2 . . . . . . 52158 1 5 coordination single . 2 . 1 HIS 124 124 NE2 . 4 . 2 ZN 1 1 ZN . . . 116 HIS NE2 . . . . . . 52158 1 6 coordination single . 2 . 1 ASP 131 131 OD2 . 4 . 2 ZN 1 1 ZN . . . 123 ASP OD2 . . . . . . 52158 1 7 coordination single . 2 . 1 GLU 189 189 OE2 . 4 . 2 ZN 1 1 ZN . . . 181 GLU OE2 . . . . . . 52158 1 8 coordination single . 2 . 1 HIS 192 192 NE2 . 4 . 2 ZN 1 1 ZN . . . 184 HIS NE2 . . . . . . 52158 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1r44 . . X-ray 2.25 . 'Unlike the sequence for this crystal structure, our sequence contains C78S and C157S double mutations.' 52158 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'Extremely slow exchange' 52158 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'D-Ala-D-Ala metallopeptidase' 52158 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52158 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPGMGGSGMEIGFTFLDEIV HGVRWDAKYATWDNFTGKPV DGYEVNRIVGTYELAESLLK AKELAATQGYGLLLWDGYRP KRAVNSFMQWAAQPENNLTK ESYYPNIDRTEMISKGYVAS KSSHSRGSAIDLTLYRLDTG ELVPMGSRFDFMDERSHHAA NGISSNEAQNRRRLRSIMEN SGFEAYSLEWWHYVLRDEPY PNSYFDFPVK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The sequence GPGMGGSG corresponds to the peptide that remains in the N-terminus after cleavage of the (His)6 tag with HRV3C. The residual number 1 starts with the Met in the subsequent sequence MEIGF. ; _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 210 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation 'C78S, C157S' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes UNP A0A286KC57_ENTAV . 'D-alanyl-D-alanine dipeptidase' . . . . . . . . . . . . . . 52158 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'D-Ala-D-Ala metallopeptidase' 52158 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 -7 GLY . 52158 1 2 -6 PRO . 52158 1 3 -5 GLY . 52158 1 4 -4 MET . 52158 1 5 -3 GLY . 52158 1 6 -2 GLY . 52158 1 7 -1 SER . 52158 1 8 0 GLY . 52158 1 9 1 MET . 52158 1 10 2 GLU . 52158 1 11 3 ILE . 52158 1 12 4 GLY . 52158 1 13 5 PHE . 52158 1 14 6 THR . 52158 1 15 7 PHE . 52158 1 16 8 LEU . 52158 1 17 9 ASP . 52158 1 18 10 GLU . 52158 1 19 11 ILE . 52158 1 20 12 VAL . 52158 1 21 13 HIS . 52158 1 22 14 GLY . 52158 1 23 15 VAL . 52158 1 24 16 ARG . 52158 1 25 17 TRP . 52158 1 26 18 ASP . 52158 1 27 19 ALA . 52158 1 28 20 LYS . 52158 1 29 21 TYR . 52158 1 30 22 ALA . 52158 1 31 23 THR . 52158 1 32 24 TRP . 52158 1 33 25 ASP . 52158 1 34 26 ASN . 52158 1 35 27 PHE . 52158 1 36 28 THR . 52158 1 37 29 GLY . 52158 1 38 30 LYS . 52158 1 39 31 PRO . 52158 1 40 32 VAL . 52158 1 41 33 ASP . 52158 1 42 34 GLY . 52158 1 43 35 TYR . 52158 1 44 36 GLU . 52158 1 45 37 VAL . 52158 1 46 38 ASN . 52158 1 47 39 ARG . 52158 1 48 40 ILE . 52158 1 49 41 VAL . 52158 1 50 42 GLY . 52158 1 51 43 THR . 52158 1 52 44 TYR . 52158 1 53 45 GLU . 52158 1 54 46 LEU . 52158 1 55 47 ALA . 52158 1 56 48 GLU . 52158 1 57 49 SER . 52158 1 58 50 LEU . 52158 1 59 51 LEU . 52158 1 60 52 LYS . 52158 1 61 53 ALA . 52158 1 62 54 LYS . 52158 1 63 55 GLU . 52158 1 64 56 LEU . 52158 1 65 57 ALA . 52158 1 66 58 ALA . 52158 1 67 59 THR . 52158 1 68 60 GLN . 52158 1 69 61 GLY . 52158 1 70 62 TYR . 52158 1 71 63 GLY . 52158 1 72 64 LEU . 52158 1 73 65 LEU . 52158 1 74 66 LEU . 52158 1 75 67 TRP . 52158 1 76 68 ASP . 52158 1 77 69 GLY . 52158 1 78 70 TYR . 52158 1 79 71 ARG . 52158 1 80 72 PRO . 52158 1 81 73 LYS . 52158 1 82 74 ARG . 52158 1 83 75 ALA . 52158 1 84 76 VAL . 52158 1 85 77 ASN . 52158 1 86 78 SER . 52158 1 87 79 PHE . 52158 1 88 80 MET . 52158 1 89 81 GLN . 52158 1 90 82 TRP . 52158 1 91 83 ALA . 52158 1 92 84 ALA . 52158 1 93 85 GLN . 52158 1 94 86 PRO . 52158 1 95 87 GLU . 52158 1 96 88 ASN . 52158 1 97 89 ASN . 52158 1 98 90 LEU . 52158 1 99 91 THR . 52158 1 100 92 LYS . 52158 1 101 93 GLU . 52158 1 102 94 SER . 52158 1 103 95 TYR . 52158 1 104 96 TYR . 52158 1 105 97 PRO . 52158 1 106 98 ASN . 52158 1 107 99 ILE . 52158 1 108 100 ASP . 52158 1 109 101 ARG . 52158 1 110 102 THR . 52158 1 111 103 GLU . 52158 1 112 104 MET . 52158 1 113 105 ILE . 52158 1 114 106 SER . 52158 1 115 107 LYS . 52158 1 116 108 GLY . 52158 1 117 109 TYR . 52158 1 118 110 VAL . 52158 1 119 111 ALA . 52158 1 120 112 SER . 52158 1 121 113 LYS . 52158 1 122 114 SER . 52158 1 123 115 SER . 52158 1 124 116 HIS . 52158 1 125 117 SER . 52158 1 126 118 ARG . 52158 1 127 119 GLY . 52158 1 128 120 SER . 52158 1 129 121 ALA . 52158 1 130 122 ILE . 52158 1 131 123 ASP . 52158 1 132 124 LEU . 52158 1 133 125 THR . 52158 1 134 126 LEU . 52158 1 135 127 TYR . 52158 1 136 128 ARG . 52158 1 137 129 LEU . 52158 1 138 130 ASP . 52158 1 139 131 THR . 52158 1 140 132 GLY . 52158 1 141 133 GLU . 52158 1 142 134 LEU . 52158 1 143 135 VAL . 52158 1 144 136 PRO . 52158 1 145 137 MET . 52158 1 146 138 GLY . 52158 1 147 139 SER . 52158 1 148 140 ARG . 52158 1 149 141 PHE . 52158 1 150 142 ASP . 52158 1 151 143 PHE . 52158 1 152 144 MET . 52158 1 153 145 ASP . 52158 1 154 146 GLU . 52158 1 155 147 ARG . 52158 1 156 148 SER . 52158 1 157 149 HIS . 52158 1 158 150 HIS . 52158 1 159 151 ALA . 52158 1 160 152 ALA . 52158 1 161 153 ASN . 52158 1 162 154 GLY . 52158 1 163 155 ILE . 52158 1 164 156 SER . 52158 1 165 157 SER . 52158 1 166 158 ASN . 52158 1 167 159 GLU . 52158 1 168 160 ALA . 52158 1 169 161 GLN . 52158 1 170 162 ASN . 52158 1 171 163 ARG . 52158 1 172 164 ARG . 52158 1 173 165 ARG . 52158 1 174 166 LEU . 52158 1 175 167 ARG . 52158 1 176 168 SER . 52158 1 177 169 ILE . 52158 1 178 170 MET . 52158 1 179 171 GLU . 52158 1 180 172 ASN . 52158 1 181 173 SER . 52158 1 182 174 GLY . 52158 1 183 175 PHE . 52158 1 184 176 GLU . 52158 1 185 177 ALA . 52158 1 186 178 TYR . 52158 1 187 179 SER . 52158 1 188 180 LEU . 52158 1 189 181 GLU . 52158 1 190 182 TRP . 52158 1 191 183 TRP . 52158 1 192 184 HIS . 52158 1 193 185 TYR . 52158 1 194 186 VAL . 52158 1 195 187 LEU . 52158 1 196 188 ARG . 52158 1 197 189 ASP . 52158 1 198 190 GLU . 52158 1 199 191 PRO . 52158 1 200 192 TYR . 52158 1 201 193 PRO . 52158 1 202 194 ASN . 52158 1 203 195 SER . 52158 1 204 196 TYR . 52158 1 205 197 PHE . 52158 1 206 198 ASP . 52158 1 207 199 PHE . 52158 1 208 200 PRO . 52158 1 209 201 VAL . 52158 1 210 202 LYS . 52158 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 52158 1 . PRO 2 2 52158 1 . GLY 3 3 52158 1 . MET 4 4 52158 1 . GLY 5 5 52158 1 . GLY 6 6 52158 1 . SER 7 7 52158 1 . GLY 8 8 52158 1 . MET 9 9 52158 1 . GLU 10 10 52158 1 . ILE 11 11 52158 1 . GLY 12 12 52158 1 . PHE 13 13 52158 1 . THR 14 14 52158 1 . PHE 15 15 52158 1 . LEU 16 16 52158 1 . ASP 17 17 52158 1 . GLU 18 18 52158 1 . ILE 19 19 52158 1 . VAL 20 20 52158 1 . HIS 21 21 52158 1 . GLY 22 22 52158 1 . VAL 23 23 52158 1 . ARG 24 24 52158 1 . TRP 25 25 52158 1 . ASP 26 26 52158 1 . ALA 27 27 52158 1 . LYS 28 28 52158 1 . TYR 29 29 52158 1 . ALA 30 30 52158 1 . THR 31 31 52158 1 . TRP 32 32 52158 1 . ASP 33 33 52158 1 . ASN 34 34 52158 1 . PHE 35 35 52158 1 . THR 36 36 52158 1 . GLY 37 37 52158 1 . LYS 38 38 52158 1 . PRO 39 39 52158 1 . VAL 40 40 52158 1 . ASP 41 41 52158 1 . GLY 42 42 52158 1 . TYR 43 43 52158 1 . GLU 44 44 52158 1 . VAL 45 45 52158 1 . ASN 46 46 52158 1 . ARG 47 47 52158 1 . ILE 48 48 52158 1 . VAL 49 49 52158 1 . GLY 50 50 52158 1 . THR 51 51 52158 1 . TYR 52 52 52158 1 . GLU 53 53 52158 1 . LEU 54 54 52158 1 . ALA 55 55 52158 1 . GLU 56 56 52158 1 . SER 57 57 52158 1 . LEU 58 58 52158 1 . LEU 59 59 52158 1 . LYS 60 60 52158 1 . ALA 61 61 52158 1 . LYS 62 62 52158 1 . GLU 63 63 52158 1 . LEU 64 64 52158 1 . ALA 65 65 52158 1 . ALA 66 66 52158 1 . THR 67 67 52158 1 . GLN 68 68 52158 1 . GLY 69 69 52158 1 . TYR 70 70 52158 1 . GLY 71 71 52158 1 . LEU 72 72 52158 1 . LEU 73 73 52158 1 . LEU 74 74 52158 1 . TRP 75 75 52158 1 . ASP 76 76 52158 1 . GLY 77 77 52158 1 . TYR 78 78 52158 1 . ARG 79 79 52158 1 . PRO 80 80 52158 1 . LYS 81 81 52158 1 . ARG 82 82 52158 1 . ALA 83 83 52158 1 . VAL 84 84 52158 1 . ASN 85 85 52158 1 . SER 86 86 52158 1 . PHE 87 87 52158 1 . MET 88 88 52158 1 . GLN 89 89 52158 1 . TRP 90 90 52158 1 . ALA 91 91 52158 1 . ALA 92 92 52158 1 . GLN 93 93 52158 1 . PRO 94 94 52158 1 . GLU 95 95 52158 1 . ASN 96 96 52158 1 . ASN 97 97 52158 1 . LEU 98 98 52158 1 . THR 99 99 52158 1 . LYS 100 100 52158 1 . GLU 101 101 52158 1 . SER 102 102 52158 1 . TYR 103 103 52158 1 . TYR 104 104 52158 1 . PRO 105 105 52158 1 . ASN 106 106 52158 1 . ILE 107 107 52158 1 . ASP 108 108 52158 1 . ARG 109 109 52158 1 . THR 110 110 52158 1 . GLU 111 111 52158 1 . MET 112 112 52158 1 . ILE 113 113 52158 1 . SER 114 114 52158 1 . LYS 115 115 52158 1 . GLY 116 116 52158 1 . TYR 117 117 52158 1 . VAL 118 118 52158 1 . ALA 119 119 52158 1 . SER 120 120 52158 1 . LYS 121 121 52158 1 . SER 122 122 52158 1 . SER 123 123 52158 1 . HIS 124 124 52158 1 . SER 125 125 52158 1 . ARG 126 126 52158 1 . GLY 127 127 52158 1 . SER 128 128 52158 1 . ALA 129 129 52158 1 . ILE 130 130 52158 1 . ASP 131 131 52158 1 . LEU 132 132 52158 1 . THR 133 133 52158 1 . LEU 134 134 52158 1 . TYR 135 135 52158 1 . ARG 136 136 52158 1 . LEU 137 137 52158 1 . ASP 138 138 52158 1 . THR 139 139 52158 1 . GLY 140 140 52158 1 . GLU 141 141 52158 1 . LEU 142 142 52158 1 . VAL 143 143 52158 1 . PRO 144 144 52158 1 . MET 145 145 52158 1 . GLY 146 146 52158 1 . SER 147 147 52158 1 . ARG 148 148 52158 1 . PHE 149 149 52158 1 . ASP 150 150 52158 1 . PHE 151 151 52158 1 . MET 152 152 52158 1 . ASP 153 153 52158 1 . GLU 154 154 52158 1 . ARG 155 155 52158 1 . SER 156 156 52158 1 . HIS 157 157 52158 1 . HIS 158 158 52158 1 . ALA 159 159 52158 1 . ALA 160 160 52158 1 . ASN 161 161 52158 1 . GLY 162 162 52158 1 . ILE 163 163 52158 1 . SER 164 164 52158 1 . SER 165 165 52158 1 . ASN 166 166 52158 1 . GLU 167 167 52158 1 . ALA 168 168 52158 1 . GLN 169 169 52158 1 . ASN 170 170 52158 1 . ARG 171 171 52158 1 . ARG 172 172 52158 1 . ARG 173 173 52158 1 . LEU 174 174 52158 1 . ARG 175 175 52158 1 . SER 176 176 52158 1 . ILE 177 177 52158 1 . MET 178 178 52158 1 . GLU 179 179 52158 1 . ASN 180 180 52158 1 . SER 181 181 52158 1 . GLY 182 182 52158 1 . PHE 183 183 52158 1 . GLU 184 184 52158 1 . ALA 185 185 52158 1 . TYR 186 186 52158 1 . SER 187 187 52158 1 . LEU 188 188 52158 1 . GLU 189 189 52158 1 . TRP 190 190 52158 1 . TRP 191 191 52158 1 . HIS 192 192 52158 1 . TYR 193 193 52158 1 . VAL 194 194 52158 1 . LEU 195 195 52158 1 . ARG 196 196 52158 1 . ASP 197 197 52158 1 . GLU 198 198 52158 1 . PRO 199 199 52158 1 . TYR 200 200 52158 1 . PRO 201 201 52158 1 . ASN 202 202 52158 1 . SER 203 203 52158 1 . TYR 204 204 52158 1 . PHE 205 205 52158 1 . ASP 206 206 52158 1 . PHE 207 207 52158 1 . PRO 208 208 52158 1 . VAL 209 209 52158 1 . LYS 210 210 52158 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 52158 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_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 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 52158 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 52158 2 ZN 'Three letter code' 52158 2 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 1 ZN $chem_comp_ZN 52158 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52158 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 1351 organism . 'Enterococcus faecalis' 'Enterococcus faecalis' . . Bacteria . Enterococcus faecalis . . . . . . . . . . . vanx . 52158 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52158 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3) pLysS' . . plasmid . . pET-47b . . . 52158 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 52158 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag no _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 no _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 no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _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=1S/Zn/q+2 InChI InChI 1.03 52158 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 52158 ZN [Zn++] SMILES CACTVS 3.341 52158 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 52158 ZN [Zn+2] SMILES ACDLabs 10.04 52158 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 52158 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 52158 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 'SYSTEMATIC NAME' ACDLabs 10.04 52158 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 52158 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 ZN . ZN . . N 2 . . . 0 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 52158 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52158 _Sample.ID 1 _Sample.Name VanX_pH7 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50 mM potassium phosphate buffer (pH 7.0) containing 30 uM ZnCl2' _Sample.Aggregate_sample_number 1 _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 'D-alanyl-D-alanine dipeptidase, VanX' '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 0.125 0.05 0.20 mM . . . . 52158 1 2 ZnCl2 'natural abundance' . . . . . . 30 . . uM . . . . 52158 1 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 52158 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 52158 _Sample.ID 2 _Sample.Name VanX_pH4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM sodium acetate buffer (pH 4.0) containing 30 uM ZnCl2' _Sample.Aggregate_sample_number 1 _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 'D-alanyl-D-alanine dipeptidase, VanX' '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 0.125 0.05 0.20 mM . . . . 52158 2 2 ZnCl2 'natural abundance' . . . . . . 30 . . uM . . . . 52158 2 3 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 52158 2 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 52158 _Sample_condition_list.ID 1 _Sample_condition_list.Name pH_7 _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' 50 . mM 52158 1 pH 7 . pH 52158 1 pressure 1 . atm 52158 1 temperature 303 . K 52158 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 52158 _Sample_condition_list.ID 2 _Sample_condition_list.Name pH_4 _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' 20 . mM 52158 2 pH 4 . pH 52158 2 pressure 1 . atm 52158 2 temperature 303 . K 52158 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52158 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52158 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52158 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker BioSpin Avance III HD spectrometer' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52158 _Experiment_list.ID 1 _Experiment_list.Details 'For both pH 4 and pH 7 assignments, the 1H/15N chemical shift values of the amide groups registered are from the TROSY peaks.' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52158 1 2 '2D 1H-15N TROSY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52158 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52158 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name vanx _Chem_shift_reference.Details ; NmrPipe was used to process the data. The command "bruker" automatically calibrated the references. In other words, the water 1H peak at 303K was assumed to be at 4.725 ppm. For the 13C and 15N references, the nmrPipe command 'bruker' was also used for calibration in the same way. ; 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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.725 internal direct 1 . . . . . 52158 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52158 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name VanX_assign_pH7.txt _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 52158 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52158 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 4 4 MET C C 13 176.672 0.1 . 1 . . . . . -4 MET C . 52158 1 2 . 1 . 1 5 5 GLY H H 1 8.381 0.02 . 1 . . . . . -3 GLY H . 52158 1 3 . 1 . 1 5 5 GLY C C 13 175.242 0.1 . 1 . . . . . -3 GLY C . 52158 1 4 . 1 . 1 5 5 GLY CA C 13 45.616 0.3 . 1 . . . . . -3 GLY CA . 52158 1 5 . 1 . 1 5 5 GLY N N 15 110.650 0.15 . 1 . . . . . -3 GLY N . 52158 1 6 . 1 . 1 6 6 GLY H H 1 8.270 0.02 . 1 . . . . . -2 GLY H . 52158 1 7 . 1 . 1 6 6 GLY C C 13 174.918 0.1 . 1 . . . . . -2 GLY C . 52158 1 8 . 1 . 1 6 6 GLY CA C 13 45.601 0.3 . 1 . . . . . -2 GLY CA . 52158 1 9 . 1 . 1 6 6 GLY N N 15 109.457 0.15 . 1 . . . . . -2 GLY N . 52158 1 10 . 1 . 1 7 7 SER C C 13 175.499 0.1 . 1 . . . . . -1 SER C . 52158 1 11 . 1 . 1 7 7 SER CA C 13 58.904 0.3 . 1 . . . . . -1 SER CA . 52158 1 12 . 1 . 1 7 7 SER CB C 13 63.951 0.3 . 1 . . . . . -1 SER CB . 52158 1 13 . 1 . 1 8 8 GLY H H 1 8.320 0.02 . 1 . . . . . 0 GLY H . 52158 1 14 . 1 . 1 8 8 GLY C C 13 173.984 0.1 . 1 . . . . . 0 GLY C . 52158 1 15 . 1 . 1 8 8 GLY CA C 13 45.252 0.3 . 1 . . . . . 0 GLY CA . 52158 1 16 . 1 . 1 8 8 GLY N N 15 111.406 0.15 . 1 . . . . . 0 GLY N . 52158 1 17 . 1 . 1 9 9 MET H H 1 7.769 0.02 . 1 . . . . . 1 MET H . 52158 1 18 . 1 . 1 9 9 MET C C 13 176.081 0.1 . 1 . . . . . 1 MET C . 52158 1 19 . 1 . 1 9 9 MET CA C 13 55.730 0.3 . 1 . . . . . 1 MET CA . 52158 1 20 . 1 . 1 9 9 MET CB C 13 32.502 0.3 . 1 . . . . . 1 MET CB . 52158 1 21 . 1 . 1 9 9 MET N N 15 120.478 0.15 . 1 . . . . . 1 MET N . 52158 1 22 . 1 . 1 10 10 GLU H H 1 7.346 0.02 . 1 . . . . . 2 GLU H . 52158 1 23 . 1 . 1 10 10 GLU C C 13 176.158 0.1 . 1 . . . . . 2 GLU C . 52158 1 24 . 1 . 1 10 10 GLU CA C 13 56.138 0.3 . 1 . . . . . 2 GLU CA . 52158 1 25 . 1 . 1 10 10 GLU CB C 13 29.625 0.3 . 1 . . . . . 2 GLU CB . 52158 1 26 . 1 . 1 10 10 GLU N N 15 120.068 0.15 . 1 . . . . . 2 GLU N . 52158 1 27 . 1 . 1 11 11 ILE H H 1 8.185 0.02 . 1 . . . . . 3 ILE H . 52158 1 28 . 1 . 1 11 11 ILE C C 13 177.444 0.1 . 1 . . . . . 3 ILE C . 52158 1 29 . 1 . 1 11 11 ILE CA C 13 63.106 0.3 . 1 . . . . . 3 ILE CA . 52158 1 30 . 1 . 1 11 11 ILE CB C 13 37.292 0.3 . 1 . . . . . 3 ILE CB . 52158 1 31 . 1 . 1 11 11 ILE N N 15 124.146 0.15 . 1 . . . . . 3 ILE N . 52158 1 32 . 1 . 1 12 12 GLY H H 1 8.510 0.02 . 1 . . . . . 4 GLY H . 52158 1 33 . 1 . 1 12 12 GLY C C 13 174.800 0.1 . 1 . . . . . 4 GLY C . 52158 1 34 . 1 . 1 12 12 GLY CA C 13 45.057 0.3 . 1 . . . . . 4 GLY CA . 52158 1 35 . 1 . 1 12 12 GLY N N 15 111.952 0.15 . 1 . . . . . 4 GLY N . 52158 1 36 . 1 . 1 13 13 PHE H H 1 7.654 0.02 . 1 . . . . . 5 PHE H . 52158 1 37 . 1 . 1 13 13 PHE C C 13 173.756 0.1 . 1 . . . . . 5 PHE C . 52158 1 38 . 1 . 1 13 13 PHE CA C 13 57.156 0.3 . 1 . . . . . 5 PHE CA . 52158 1 39 . 1 . 1 13 13 PHE CB C 13 42.001 0.3 . 1 . . . . . 5 PHE CB . 52158 1 40 . 1 . 1 13 13 PHE N N 15 120.604 0.15 . 1 . . . . . 5 PHE N . 52158 1 41 . 1 . 1 14 14 THR H H 1 8.577 0.02 . 1 . . . . . 6 THR H . 52158 1 42 . 1 . 1 14 14 THR C C 13 174.116 0.1 . 1 . . . . . 6 THR C . 52158 1 43 . 1 . 1 14 14 THR CA C 13 59.528 0.3 . 1 . . . . . 6 THR CA . 52158 1 44 . 1 . 1 14 14 THR CB C 13 70.454 0.3 . 1 . . . . . 6 THR CB . 52158 1 45 . 1 . 1 14 14 THR N N 15 112.175 0.15 . 1 . . . . . 6 THR N . 52158 1 46 . 1 . 1 15 15 PHE H H 1 8.337 0.02 . 1 . . . . . 7 PHE H . 52158 1 47 . 1 . 1 15 15 PHE C C 13 181.315 0.1 . 1 . . . . . 7 PHE C . 52158 1 48 . 1 . 1 15 15 PHE CA C 13 59.027 0.3 . 1 . . . . . 7 PHE CA . 52158 1 49 . 1 . 1 15 15 PHE CB C 13 38.397 0.3 . 1 . . . . . 7 PHE CB . 52158 1 50 . 1 . 1 15 15 PHE N N 15 124.742 0.15 . 1 . . . . . 7 PHE N . 52158 1 51 . 1 . 1 16 16 LEU H H 1 9.740 0.02 . 1 . . . . . 8 LEU H . 52158 1 52 . 1 . 1 16 16 LEU C C 13 178.792 0.1 . 1 . . . . . 8 LEU C . 52158 1 53 . 1 . 1 16 16 LEU CA C 13 58.285 0.3 . 1 . . . . . 8 LEU CA . 52158 1 54 . 1 . 1 16 16 LEU CB C 13 40.799 0.3 . 1 . . . . . 8 LEU CB . 52158 1 55 . 1 . 1 16 16 LEU N N 15 126.436 0.15 . 1 . . . . . 8 LEU N . 52158 1 56 . 1 . 1 17 17 ASP H H 1 7.779 0.02 . 1 . . . . . 9 ASP H . 52158 1 57 . 1 . 1 17 17 ASP C C 13 175.306 0.1 . 1 . . . . . 9 ASP C . 52158 1 58 . 1 . 1 17 17 ASP CA C 13 55.330 0.3 . 1 . . . . . 9 ASP CA . 52158 1 59 . 1 . 1 17 17 ASP CB C 13 42.103 0.3 . 1 . . . . . 9 ASP CB . 52158 1 60 . 1 . 1 17 17 ASP N N 15 113.687 0.15 . 1 . . . . . 9 ASP N . 52158 1 61 . 1 . 1 18 18 GLU H H 1 6.819 0.02 . 1 . . . . . 10 GLU H . 52158 1 62 . 1 . 1 18 18 GLU C C 13 176.852 0.1 . 1 . . . . . 10 GLU C . 52158 1 63 . 1 . 1 18 18 GLU CA C 13 58.171 0.3 . 1 . . . . . 10 GLU CA . 52158 1 64 . 1 . 1 18 18 GLU CB C 13 29.527 0.3 . 1 . . . . . 10 GLU CB . 52158 1 65 . 1 . 1 18 18 GLU N N 15 115.984 0.15 . 1 . . . . . 10 GLU N . 52158 1 66 . 1 . 1 19 19 ILE H H 1 6.816 0.02 . 1 . . . . . 11 ILE H . 52158 1 67 . 1 . 1 19 19 ILE C C 13 175.204 0.1 . 1 . . . . . 11 ILE C . 52158 1 68 . 1 . 1 19 19 ILE CA C 13 60.979 0.3 . 1 . . . . . 11 ILE CA . 52158 1 69 . 1 . 1 19 19 ILE CB C 13 40.151 0.3 . 1 . . . . . 11 ILE CB . 52158 1 70 . 1 . 1 19 19 ILE N N 15 115.307 0.15 . 1 . . . . . 11 ILE N . 52158 1 71 . 1 . 1 20 20 VAL H H 1 8.479 0.02 . 1 . . . . . 12 VAL H . 52158 1 72 . 1 . 1 20 20 VAL C C 13 174.454 0.1 . 1 . . . . . 12 VAL C . 52158 1 73 . 1 . 1 20 20 VAL CA C 13 60.590 0.3 . 1 . . . . . 12 VAL CA . 52158 1 74 . 1 . 1 20 20 VAL CB C 13 28.946 0.3 . 1 . . . . . 12 VAL CB . 52158 1 75 . 1 . 1 20 20 VAL N N 15 121.739 0.15 . 1 . . . . . 12 VAL N . 52158 1 76 . 1 . 1 21 21 HIS H H 1 7.448 0.02 . 1 . . . . . 13 HIS H . 52158 1 77 . 1 . 1 21 21 HIS C C 13 177.356 0.1 . 1 . . . . . 13 HIS C . 52158 1 78 . 1 . 1 21 21 HIS CA C 13 56.162 0.3 . 1 . . . . . 13 HIS CA . 52158 1 79 . 1 . 1 21 21 HIS CB C 13 30.101 0.3 . 1 . . . . . 13 HIS CB . 52158 1 80 . 1 . 1 21 21 HIS N N 15 122.351 0.15 . 1 . . . . . 13 HIS N . 52158 1 81 . 1 . 1 22 22 GLY H H 1 9.015 0.02 . 1 . . . . . 14 GLY H . 52158 1 82 . 1 . 1 22 22 GLY C C 13 176.154 0.1 . 1 . . . . . 14 GLY C . 52158 1 83 . 1 . 1 22 22 GLY CA C 13 46.550 0.3 . 1 . . . . . 14 GLY CA . 52158 1 84 . 1 . 1 22 22 GLY N N 15 110.021 0.15 . 1 . . . . . 14 GLY N . 52158 1 85 . 1 . 1 23 23 VAL H H 1 7.456 0.02 . 1 . . . . . 15 VAL H . 52158 1 86 . 1 . 1 23 23 VAL C C 13 176.048 0.1 . 1 . . . . . 15 VAL C . 52158 1 87 . 1 . 1 23 23 VAL CA C 13 61.188 0.3 . 1 . . . . . 15 VAL CA . 52158 1 88 . 1 . 1 23 23 VAL CB C 13 32.800 0.3 . 1 . . . . . 15 VAL CB . 52158 1 89 . 1 . 1 23 23 VAL N N 15 115.400 0.15 . 1 . . . . . 15 VAL N . 52158 1 90 . 1 . 1 24 24 ARG H H 1 8.303 0.02 . 1 . . . . . 16 ARG H . 52158 1 91 . 1 . 1 24 24 ARG C C 13 176.468 0.1 . 1 . . . . . 16 ARG C . 52158 1 92 . 1 . 1 24 24 ARG CA C 13 55.471 0.3 . 1 . . . . . 16 ARG CA . 52158 1 93 . 1 . 1 24 24 ARG CB C 13 31.815 0.3 . 1 . . . . . 16 ARG CB . 52158 1 94 . 1 . 1 24 24 ARG N N 15 123.362 0.15 . 1 . . . . . 16 ARG N . 52158 1 95 . 1 . 1 25 25 TRP H H 1 7.769 0.02 . 1 . . . . . 17 TRP H . 52158 1 96 . 1 . 1 25 25 TRP C C 13 174.531 0.1 . 1 . . . . . 17 TRP C . 52158 1 97 . 1 . 1 25 25 TRP CA C 13 58.096 0.3 . 1 . . . . . 17 TRP CA . 52158 1 98 . 1 . 1 25 25 TRP CB C 13 33.259 0.3 . 1 . . . . . 17 TRP CB . 52158 1 99 . 1 . 1 25 25 TRP N N 15 115.404 0.15 . 1 . . . . . 17 TRP N . 52158 1 100 . 1 . 1 26 26 ASP H H 1 8.303 0.02 . 1 . . . . . 18 ASP H . 52158 1 101 . 1 . 1 26 26 ASP C C 13 175.254 0.1 . 1 . . . . . 18 ASP C . 52158 1 102 . 1 . 1 26 26 ASP CA C 13 54.361 0.3 . 1 . . . . . 18 ASP CA . 52158 1 103 . 1 . 1 26 26 ASP CB C 13 41.521 0.3 . 1 . . . . . 18 ASP CB . 52158 1 104 . 1 . 1 26 26 ASP N N 15 121.866 0.15 . 1 . . . . . 18 ASP N . 52158 1 105 . 1 . 1 27 27 ALA H H 1 8.349 0.02 . 1 . . . . . 19 ALA H . 52158 1 106 . 1 . 1 27 27 ALA C C 13 177.516 0.1 . 1 . . . . . 19 ALA C . 52158 1 107 . 1 . 1 27 27 ALA CA C 13 51.422 0.3 . 1 . . . . . 19 ALA CA . 52158 1 108 . 1 . 1 27 27 ALA CB C 13 17.025 0.3 . 1 . . . . . 19 ALA CB . 52158 1 109 . 1 . 1 27 27 ALA N N 15 124.250 0.15 . 1 . . . . . 19 ALA N . 52158 1 110 . 1 . 1 28 28 LYS H H 1 7.675 0.02 . 1 . . . . . 20 LYS H . 52158 1 111 . 1 . 1 28 28 LYS C C 13 180.810 0.1 . 1 . . . . . 20 LYS C . 52158 1 112 . 1 . 1 28 28 LYS CA C 13 56.720 0.3 . 1 . . . . . 20 LYS CA . 52158 1 113 . 1 . 1 28 28 LYS CB C 13 30.077 0.3 . 1 . . . . . 20 LYS CB . 52158 1 114 . 1 . 1 28 28 LYS N N 15 123.176 0.15 . 1 . . . . . 20 LYS N . 52158 1 115 . 1 . 1 29 29 TYR H H 1 7.435 0.02 . 1 . . . . . 21 TYR H . 52158 1 116 . 1 . 1 29 29 TYR C C 13 174.610 0.1 . 1 . . . . . 21 TYR C . 52158 1 117 . 1 . 1 29 29 TYR CA C 13 56.700 0.3 . 1 . . . . . 21 TYR CA . 52158 1 118 . 1 . 1 29 29 TYR CB C 13 33.451 0.3 . 1 . . . . . 21 TYR CB . 52158 1 119 . 1 . 1 29 29 TYR N N 15 116.291 0.15 . 1 . . . . . 21 TYR N . 52158 1 120 . 1 . 1 30 30 ALA H H 1 7.778 0.02 . 1 . . . . . 22 ALA H . 52158 1 121 . 1 . 1 30 30 ALA C C 13 177.043 0.1 . 1 . . . . . 22 ALA C . 52158 1 122 . 1 . 1 30 30 ALA CA C 13 51.346 0.3 . 1 . . . . . 22 ALA CA . 52158 1 123 . 1 . 1 30 30 ALA CB C 13 19.541 0.3 . 1 . . . . . 22 ALA CB . 52158 1 124 . 1 . 1 30 30 ALA N N 15 119.394 0.15 . 1 . . . . . 22 ALA N . 52158 1 125 . 1 . 1 31 31 THR H H 1 7.123 0.02 . 1 . . . . . 23 THR H . 52158 1 126 . 1 . 1 31 31 THR C C 13 170.823 0.1 . 1 . . . . . 23 THR C . 52158 1 127 . 1 . 1 31 31 THR CA C 13 60.264 0.3 . 1 . . . . . 23 THR CA . 52158 1 128 . 1 . 1 31 31 THR CB C 13 71.523 0.3 . 1 . . . . . 23 THR CB . 52158 1 129 . 1 . 1 31 31 THR N N 15 110.708 0.15 . 1 . . . . . 23 THR N . 52158 1 130 . 1 . 1 32 32 TRP H H 1 8.054 0.02 . 1 . . . . . 24 TRP H . 52158 1 131 . 1 . 1 32 32 TRP C C 13 176.150 0.1 . 1 . . . . . 24 TRP C . 52158 1 132 . 1 . 1 32 32 TRP CA C 13 60.554 0.3 . 1 . . . . . 24 TRP CA . 52158 1 133 . 1 . 1 32 32 TRP CB C 13 29.909 0.3 . 1 . . . . . 24 TRP CB . 52158 1 134 . 1 . 1 32 32 TRP N N 15 117.641 0.15 . 1 . . . . . 24 TRP N . 52158 1 135 . 1 . 1 33 33 ASP H H 1 7.751 0.02 . 1 . . . . . 25 ASP H . 52158 1 136 . 1 . 1 33 33 ASP C C 13 174.257 0.1 . 1 . . . . . 25 ASP C . 52158 1 137 . 1 . 1 33 33 ASP CA C 13 52.968 0.3 . 1 . . . . . 25 ASP CA . 52158 1 138 . 1 . 1 33 33 ASP CB C 13 39.934 0.3 . 1 . . . . . 25 ASP CB . 52158 1 139 . 1 . 1 33 33 ASP N N 15 123.063 0.15 . 1 . . . . . 25 ASP N . 52158 1 140 . 1 . 1 34 34 ASN H H 1 7.453 0.02 . 1 . . . . . 26 ASN H . 52158 1 141 . 1 . 1 34 34 ASN C C 13 176.981 0.1 . 1 . . . . . 26 ASN C . 52158 1 142 . 1 . 1 34 34 ASN CA C 13 52.569 0.3 . 1 . . . . . 26 ASN CA . 52158 1 143 . 1 . 1 34 34 ASN CB C 13 41.565 0.3 . 1 . . . . . 26 ASN CB . 52158 1 144 . 1 . 1 34 34 ASN N N 15 113.002 0.15 . 1 . . . . . 26 ASN N . 52158 1 145 . 1 . 1 35 35 PHE H H 1 8.161 0.02 . 1 . . . . . 27 PHE H . 52158 1 146 . 1 . 1 35 35 PHE C C 13 175.208 0.1 . 1 . . . . . 27 PHE C . 52158 1 147 . 1 . 1 35 35 PHE CA C 13 60.766 0.3 . 1 . . . . . 27 PHE CA . 52158 1 148 . 1 . 1 35 35 PHE CB C 13 37.695 0.3 . 1 . . . . . 27 PHE CB . 52158 1 149 . 1 . 1 35 35 PHE N N 15 118.764 0.15 . 1 . . . . . 27 PHE N . 52158 1 150 . 1 . 1 36 36 THR H H 1 7.740 0.02 . 1 . . . . . 28 THR H . 52158 1 151 . 1 . 1 36 36 THR C C 13 176.844 0.1 . 1 . . . . . 28 THR C . 52158 1 152 . 1 . 1 36 36 THR CA C 13 62.552 0.3 . 1 . . . . . 28 THR CA . 52158 1 153 . 1 . 1 36 36 THR CB C 13 69.516 0.3 . 1 . . . . . 28 THR CB . 52158 1 154 . 1 . 1 36 36 THR N N 15 111.959 0.15 . 1 . . . . . 28 THR N . 52158 1 155 . 1 . 1 37 37 GLY H H 1 7.504 0.02 . 1 . . . . . 29 GLY H . 52158 1 156 . 1 . 1 37 37 GLY C C 13 173.066 0.1 . 1 . . . . . 29 GLY C . 52158 1 157 . 1 . 1 37 37 GLY CA C 13 45.304 0.3 . 1 . . . . . 29 GLY CA . 52158 1 158 . 1 . 1 37 37 GLY N N 15 110.014 0.15 . 1 . . . . . 29 GLY N . 52158 1 159 . 1 . 1 38 38 LYS H H 1 7.345 0.02 . 1 . . . . . 30 LYS H . 52158 1 160 . 1 . 1 38 38 LYS C C 13 172.473 0.1 . 1 . . . . . 30 LYS C . 52158 1 161 . 1 . 1 38 38 LYS CA C 13 55.046 0.3 . 1 . . . . . 30 LYS CA . 52158 1 162 . 1 . 1 38 38 LYS CB C 13 32.644 0.3 . 1 . . . . . 30 LYS CB . 52158 1 163 . 1 . 1 38 38 LYS N N 15 116.779 0.15 . 1 . . . . . 30 LYS N . 52158 1 164 . 1 . 1 39 39 PRO C C 13 176.980 0.1 . 1 . . . . . 31 PRO C . 52158 1 165 . 1 . 1 39 39 PRO CA C 13 63.316 0.3 . 1 . . . . . 31 PRO CA . 52158 1 166 . 1 . 1 39 39 PRO CB C 13 30.161 0.3 . 1 . . . . . 31 PRO CB . 52158 1 167 . 1 . 1 40 40 VAL H H 1 8.747 0.02 . 1 . . . . . 32 VAL H . 52158 1 168 . 1 . 1 40 40 VAL C C 13 176.641 0.1 . 1 . . . . . 32 VAL C . 52158 1 169 . 1 . 1 40 40 VAL CA C 13 61.788 0.3 . 1 . . . . . 32 VAL CA . 52158 1 170 . 1 . 1 40 40 VAL CB C 13 32.648 0.3 . 1 . . . . . 32 VAL CB . 52158 1 171 . 1 . 1 40 40 VAL N N 15 128.108 0.15 . 1 . . . . . 32 VAL N . 52158 1 172 . 1 . 1 41 41 ASP H H 1 7.940 0.02 . 1 . . . . . 33 ASP H . 52158 1 173 . 1 . 1 41 41 ASP C C 13 174.626 0.1 . 1 . . . . . 33 ASP C . 52158 1 174 . 1 . 1 41 41 ASP CA C 13 56.886 0.3 . 1 . . . . . 33 ASP CA . 52158 1 175 . 1 . 1 41 41 ASP CB C 13 41.032 0.3 . 1 . . . . . 33 ASP CB . 52158 1 176 . 1 . 1 41 41 ASP N N 15 128.889 0.15 . 1 . . . . . 33 ASP N . 52158 1 177 . 1 . 1 42 42 GLY H H 1 7.909 0.02 . 1 . . . . . 34 GLY H . 52158 1 178 . 1 . 1 42 42 GLY C C 13 173.558 0.1 . 1 . . . . . 34 GLY C . 52158 1 179 . 1 . 1 42 42 GLY CA C 13 44.548 0.3 . 1 . . . . . 34 GLY CA . 52158 1 180 . 1 . 1 42 42 GLY N N 15 108.968 0.15 . 1 . . . . . 34 GLY N . 52158 1 181 . 1 . 1 43 43 TYR H H 1 8.255 0.02 . 1 . . . . . 35 TYR H . 52158 1 182 . 1 . 1 43 43 TYR C C 13 176.707 0.1 . 1 . . . . . 35 TYR C . 52158 1 183 . 1 . 1 43 43 TYR CA C 13 58.575 0.3 . 1 . . . . . 35 TYR CA . 52158 1 184 . 1 . 1 43 43 TYR CB C 13 37.150 0.3 . 1 . . . . . 35 TYR CB . 52158 1 185 . 1 . 1 43 43 TYR N N 15 120.324 0.15 . 1 . . . . . 35 TYR N . 52158 1 186 . 1 . 1 44 44 GLU H H 1 8.788 0.02 . 1 . . . . . 36 GLU H . 52158 1 187 . 1 . 1 44 44 GLU C C 13 177.089 0.1 . 1 . . . . . 36 GLU C . 52158 1 188 . 1 . 1 44 44 GLU CA C 13 57.667 0.3 . 1 . . . . . 36 GLU CA . 52158 1 189 . 1 . 1 44 44 GLU CB C 13 30.459 0.3 . 1 . . . . . 36 GLU CB . 52158 1 190 . 1 . 1 44 44 GLU N N 15 121.868 0.15 . 1 . . . . . 36 GLU N . 52158 1 191 . 1 . 1 45 45 VAL H H 1 7.196 0.02 . 1 . . . . . 37 VAL H . 52158 1 192 . 1 . 1 45 45 VAL C C 13 172.927 0.1 . 1 . . . . . 37 VAL C . 52158 1 193 . 1 . 1 45 45 VAL CA C 13 59.118 0.3 . 1 . . . . . 37 VAL CA . 52158 1 194 . 1 . 1 45 45 VAL CB C 13 35.295 0.3 . 1 . . . . . 37 VAL CB . 52158 1 195 . 1 . 1 45 45 VAL N N 15 109.791 0.15 . 1 . . . . . 37 VAL N . 52158 1 196 . 1 . 1 46 46 ASN C C 13 174.266 0.1 . 1 . . . . . 38 ASN C . 52158 1 197 . 1 . 1 46 46 ASN CA C 13 50.487 0.3 . 1 . . . . . 38 ASN CA . 52158 1 198 . 1 . 1 46 46 ASN CB C 13 34.501 0.3 . 1 . . . . . 38 ASN CB . 52158 1 199 . 1 . 1 47 47 ARG H H 1 7.479 0.02 . 1 . . . . . 39 ARG H . 52158 1 200 . 1 . 1 47 47 ARG C C 13 173.903 0.1 . 1 . . . . . 39 ARG C . 52158 1 201 . 1 . 1 47 47 ARG CA C 13 53.372 0.3 . 1 . . . . . 39 ARG CA . 52158 1 202 . 1 . 1 47 47 ARG CB C 13 35.948 0.3 . 1 . . . . . 39 ARG CB . 52158 1 203 . 1 . 1 47 47 ARG N N 15 117.888 0.15 . 1 . . . . . 39 ARG N . 52158 1 204 . 1 . 1 48 48 ILE H H 1 8.867 0.02 . 1 . . . . . 40 ILE H . 52158 1 205 . 1 . 1 48 48 ILE C C 13 176.288 0.1 . 1 . . . . . 40 ILE C . 52158 1 206 . 1 . 1 48 48 ILE CA C 13 58.630 0.3 . 1 . . . . . 40 ILE CA . 52158 1 207 . 1 . 1 48 48 ILE CB C 13 35.540 0.3 . 1 . . . . . 40 ILE CB . 52158 1 208 . 1 . 1 48 48 ILE N N 15 120.922 0.15 . 1 . . . . . 40 ILE N . 52158 1 209 . 1 . 1 49 49 VAL H H 1 9.309 0.02 . 1 . . . . . 41 VAL H . 52158 1 210 . 1 . 1 49 49 VAL C C 13 175.428 0.1 . 1 . . . . . 41 VAL C . 52158 1 211 . 1 . 1 49 49 VAL CA C 13 60.778 0.3 . 1 . . . . . 41 VAL CA . 52158 1 212 . 1 . 1 49 49 VAL CB C 13 34.504 0.3 . 1 . . . . . 41 VAL CB . 52158 1 213 . 1 . 1 49 49 VAL N N 15 130.328 0.15 . 1 . . . . . 41 VAL N . 52158 1 214 . 1 . 1 50 50 GLY H H 1 8.659 0.02 . 1 . . . . . 42 GLY H . 52158 1 215 . 1 . 1 50 50 GLY C C 13 171.342 0.1 . 1 . . . . . 42 GLY C . 52158 1 216 . 1 . 1 50 50 GLY CA C 13 46.295 0.3 . 1 . . . . . 42 GLY CA . 52158 1 217 . 1 . 1 50 50 GLY N N 15 109.988 0.15 . 1 . . . . . 42 GLY N . 52158 1 218 . 1 . 1 51 51 THR H H 1 8.069 0.02 . 1 . . . . . 43 THR H . 52158 1 219 . 1 . 1 51 51 THR C C 13 176.828 0.1 . 1 . . . . . 43 THR C . 52158 1 220 . 1 . 1 51 51 THR CA C 13 61.649 0.3 . 1 . . . . . 43 THR CA . 52158 1 221 . 1 . 1 51 51 THR CB C 13 71.135 0.3 . 1 . . . . . 43 THR CB . 52158 1 222 . 1 . 1 51 51 THR N N 15 110.580 0.15 . 1 . . . . . 43 THR N . 52158 1 223 . 1 . 1 52 52 TYR H H 1 7.349 0.02 . 1 . . . . . 44 TYR H . 52158 1 224 . 1 . 1 52 52 TYR C C 13 178.515 0.1 . 1 . . . . . 44 TYR C . 52158 1 225 . 1 . 1 52 52 TYR CA C 13 62.661 0.3 . 1 . . . . . 44 TYR CA . 52158 1 226 . 1 . 1 52 52 TYR CB C 13 37.235 0.3 . 1 . . . . . 44 TYR CB . 52158 1 227 . 1 . 1 52 52 TYR N N 15 118.927 0.15 . 1 . . . . . 44 TYR N . 52158 1 228 . 1 . 1 53 53 GLU H H 1 10.074 0.02 . 1 . . . . . 45 GLU H . 52158 1 229 . 1 . 1 53 53 GLU C C 13 180.134 0.1 . 1 . . . . . 45 GLU C . 52158 1 230 . 1 . 1 53 53 GLU CA C 13 61.825 0.3 . 1 . . . . . 45 GLU CA . 52158 1 231 . 1 . 1 53 53 GLU CB C 13 27.306 0.3 . 1 . . . . . 45 GLU CB . 52158 1 232 . 1 . 1 53 53 GLU N N 15 120.474 0.15 . 1 . . . . . 45 GLU N . 52158 1 233 . 1 . 1 54 54 LEU H H 1 7.871 0.02 . 1 . . . . . 46 LEU H . 52158 1 234 . 1 . 1 54 54 LEU C C 13 178.485 0.1 . 1 . . . . . 46 LEU C . 52158 1 235 . 1 . 1 54 54 LEU CA C 13 58.759 0.3 . 1 . . . . . 46 LEU CA . 52158 1 236 . 1 . 1 54 54 LEU CB C 13 40.730 0.3 . 1 . . . . . 46 LEU CB . 52158 1 237 . 1 . 1 54 54 LEU N N 15 123.355 0.15 . 1 . . . . . 46 LEU N . 52158 1 238 . 1 . 1 55 55 ALA H H 1 8.048 0.02 . 1 . . . . . 47 ALA H . 52158 1 239 . 1 . 1 55 55 ALA C C 13 178.864 0.1 . 1 . . . . . 47 ALA C . 52158 1 240 . 1 . 1 55 55 ALA CA C 13 55.874 0.3 . 1 . . . . . 47 ALA CA . 52158 1 241 . 1 . 1 55 55 ALA CB C 13 17.798 0.3 . 1 . . . . . 47 ALA CB . 52158 1 242 . 1 . 1 55 55 ALA N N 15 121.009 0.15 . 1 . . . . . 47 ALA N . 52158 1 243 . 1 . 1 56 56 GLU H H 1 8.466 0.02 . 1 . . . . . 48 GLU H . 52158 1 244 . 1 . 1 56 56 GLU C C 13 180.996 0.1 . 1 . . . . . 48 GLU C . 52158 1 245 . 1 . 1 56 56 GLU CA C 13 59.899 0.3 . 1 . . . . . 48 GLU CA . 52158 1 246 . 1 . 1 56 56 GLU CB C 13 29.037 0.3 . 1 . . . . . 48 GLU CB . 52158 1 247 . 1 . 1 56 56 GLU N N 15 116.547 0.15 . 1 . . . . . 48 GLU N . 52158 1 248 . 1 . 1 57 57 SER H H 1 7.738 0.02 . 1 . . . . . 49 SER H . 52158 1 249 . 1 . 1 57 57 SER C C 13 177.312 0.1 . 1 . . . . . 49 SER C . 52158 1 250 . 1 . 1 57 57 SER CA C 13 58.427 0.3 . 1 . . . . . 49 SER CA . 52158 1 251 . 1 . 1 57 57 SER CB C 13 63.719 0.3 . 1 . . . . . 49 SER CB . 52158 1 252 . 1 . 1 57 57 SER N N 15 116.706 0.15 . 1 . . . . . 49 SER N . 52158 1 253 . 1 . 1 58 58 LEU H H 1 8.851 0.02 . 1 . . . . . 50 LEU H . 52158 1 254 . 1 . 1 58 58 LEU C C 13 179.507 0.1 . 1 . . . . . 50 LEU C . 52158 1 255 . 1 . 1 58 58 LEU CA C 13 57.564 0.3 . 1 . . . . . 50 LEU CA . 52158 1 256 . 1 . 1 58 58 LEU CB C 13 42.107 0.3 . 1 . . . . . 50 LEU CB . 52158 1 257 . 1 . 1 58 58 LEU N N 15 124.403 0.15 . 1 . . . . . 50 LEU N . 52158 1 258 . 1 . 1 59 59 LEU H H 1 8.149 0.02 . 1 . . . . . 51 LEU H . 52158 1 259 . 1 . 1 59 59 LEU C C 13 180.176 0.1 . 1 . . . . . 51 LEU C . 52158 1 260 . 1 . 1 59 59 LEU CA C 13 58.927 0.3 . 1 . . . . . 51 LEU CA . 52158 1 261 . 1 . 1 59 59 LEU CB C 13 41.603 0.3 . 1 . . . . . 51 LEU CB . 52158 1 262 . 1 . 1 59 59 LEU N N 15 121.555 0.15 . 1 . . . . . 51 LEU N . 52158 1 263 . 1 . 1 60 60 LYS H H 1 7.073 0.02 . 1 . . . . . 52 LYS H . 52158 1 264 . 1 . 1 60 60 LYS C C 13 179.932 0.1 . 1 . . . . . 52 LYS C . 52158 1 265 . 1 . 1 60 60 LYS CA C 13 59.772 0.3 . 1 . . . . . 52 LYS CA . 52158 1 266 . 1 . 1 60 60 LYS CB C 13 31.096 0.3 . 1 . . . . . 52 LYS CB . 52158 1 267 . 1 . 1 60 60 LYS N N 15 119.402 0.15 . 1 . . . . . 52 LYS N . 52158 1 268 . 1 . 1 61 61 ALA H H 1 8.206 0.02 . 1 . . . . . 53 ALA H . 52158 1 269 . 1 . 1 61 61 ALA C C 13 179.509 0.1 . 1 . . . . . 53 ALA C . 52158 1 270 . 1 . 1 61 61 ALA CA C 13 55.630 0.3 . 1 . . . . . 53 ALA CA . 52158 1 271 . 1 . 1 61 61 ALA CB C 13 17.786 0.3 . 1 . . . . . 53 ALA CB . 52158 1 272 . 1 . 1 61 61 ALA N N 15 124.200 0.15 . 1 . . . . . 53 ALA N . 52158 1 273 . 1 . 1 62 62 LYS H H 1 8.915 0.02 . 1 . . . . . 54 LYS H . 52158 1 274 . 1 . 1 62 62 LYS C C 13 180.476 0.1 . 1 . . . . . 54 LYS C . 52158 1 275 . 1 . 1 62 62 LYS CA C 13 60.046 0.3 . 1 . . . . . 54 LYS CA . 52158 1 276 . 1 . 1 62 62 LYS CB C 13 31.922 0.3 . 1 . . . . . 54 LYS CB . 52158 1 277 . 1 . 1 62 62 LYS N N 15 119.833 0.15 . 1 . . . . . 54 LYS N . 52158 1 278 . 1 . 1 63 63 GLU H H 1 7.893 0.02 . 1 . . . . . 55 GLU H . 52158 1 279 . 1 . 1 63 63 GLU C C 13 179.683 0.1 . 1 . . . . . 55 GLU C . 52158 1 280 . 1 . 1 63 63 GLU CA C 13 59.531 0.3 . 1 . . . . . 55 GLU CA . 52158 1 281 . 1 . 1 63 63 GLU CB C 13 29.162 0.3 . 1 . . . . . 55 GLU CB . 52158 1 282 . 1 . 1 63 63 GLU N N 15 121.616 0.15 . 1 . . . . . 55 GLU N . 52158 1 283 . 1 . 1 64 64 LEU H H 1 8.265 0.02 . 1 . . . . . 56 LEU H . 52158 1 284 . 1 . 1 64 64 LEU C C 13 181.291 0.1 . 1 . . . . . 56 LEU C . 52158 1 285 . 1 . 1 64 64 LEU CA C 13 58.289 0.3 . 1 . . . . . 56 LEU CA . 52158 1 286 . 1 . 1 64 64 LEU CB C 13 41.231 0.3 . 1 . . . . . 56 LEU CB . 52158 1 287 . 1 . 1 64 64 LEU N N 15 122.452 0.15 . 1 . . . . . 56 LEU N . 52158 1 288 . 1 . 1 65 65 ALA H H 1 9.191 0.02 . 1 . . . . . 57 ALA H . 52158 1 289 . 1 . 1 65 65 ALA C C 13 181.141 0.1 . 1 . . . . . 57 ALA C . 52158 1 290 . 1 . 1 65 65 ALA CA C 13 55.839 0.3 . 1 . . . . . 57 ALA CA . 52158 1 291 . 1 . 1 65 65 ALA CB C 13 17.260 0.3 . 1 . . . . . 57 ALA CB . 52158 1 292 . 1 . 1 65 65 ALA N N 15 122.417 0.15 . 1 . . . . . 57 ALA N . 52158 1 293 . 1 . 1 66 66 ALA H H 1 8.165 0.02 . 1 . . . . . 58 ALA H . 52158 1 294 . 1 . 1 66 66 ALA C C 13 182.957 0.1 . 1 . . . . . 58 ALA C . 52158 1 295 . 1 . 1 66 66 ALA CA C 13 55.873 0.3 . 1 . . . . . 58 ALA CA . 52158 1 296 . 1 . 1 66 66 ALA CB C 13 17.245 0.3 . 1 . . . . . 58 ALA CB . 52158 1 297 . 1 . 1 66 66 ALA N N 15 121.577 0.15 . 1 . . . . . 58 ALA N . 52158 1 298 . 1 . 1 67 67 THR H H 1 7.853 0.02 . 1 . . . . . 59 THR H . 52158 1 299 . 1 . 1 67 67 THR C C 13 176.233 0.1 . 1 . . . . . 59 THR C . 52158 1 300 . 1 . 1 67 67 THR CA C 13 65.767 0.3 . 1 . . . . . 59 THR CA . 52158 1 301 . 1 . 1 67 67 THR CB C 13 69.619 0.3 . 1 . . . . . 59 THR CB . 52158 1 302 . 1 . 1 67 67 THR N N 15 113.087 0.15 . 1 . . . . . 59 THR N . 52158 1 303 . 1 . 1 68 68 GLN H H 1 7.266 0.02 . 1 . . . . . 60 GLN H . 52158 1 304 . 1 . 1 68 68 GLN C C 13 175.399 0.1 . 1 . . . . . 60 GLN C . 52158 1 305 . 1 . 1 68 68 GLN CA C 13 55.620 0.3 . 1 . . . . . 60 GLN CA . 52158 1 306 . 1 . 1 68 68 GLN CB C 13 29.819 0.3 . 1 . . . . . 60 GLN CB . 52158 1 307 . 1 . 1 68 68 GLN N N 15 118.814 0.15 . 1 . . . . . 60 GLN N . 52158 1 308 . 1 . 1 69 69 GLY H H 1 7.718 0.02 . 1 . . . . . 61 GLY H . 52158 1 309 . 1 . 1 69 69 GLY C C 13 174.905 0.1 . 1 . . . . . 61 GLY C . 52158 1 310 . 1 . 1 69 69 GLY CA C 13 45.318 0.3 . 1 . . . . . 61 GLY CA . 52158 1 311 . 1 . 1 69 69 GLY N N 15 105.919 0.15 . 1 . . . . . 61 GLY N . 52158 1 312 . 1 . 1 70 70 TYR H H 1 8.413 0.02 . 1 . . . . . 62 TYR H . 52158 1 313 . 1 . 1 70 70 TYR C C 13 174.970 0.1 . 1 . . . . . 62 TYR C . 52158 1 314 . 1 . 1 70 70 TYR CA C 13 57.200 0.3 . 1 . . . . . 62 TYR CA . 52158 1 315 . 1 . 1 70 70 TYR CB C 13 42.525 0.3 . 1 . . . . . 62 TYR CB . 52158 1 316 . 1 . 1 70 70 TYR N N 15 121.091 0.15 . 1 . . . . . 62 TYR N . 52158 1 317 . 1 . 1 71 71 GLY H H 1 8.531 0.02 . 1 . . . . . 63 GLY H . 52158 1 318 . 1 . 1 71 71 GLY C C 13 172.371 0.1 . 1 . . . . . 63 GLY C . 52158 1 319 . 1 . 1 71 71 GLY CA C 13 43.078 0.3 . 1 . . . . . 63 GLY CA . 52158 1 320 . 1 . 1 71 71 GLY N N 15 108.198 0.15 . 1 . . . . . 63 GLY N . 52158 1 321 . 1 . 1 72 72 LEU H H 1 8.470 0.02 . 1 . . . . . 64 LEU H . 52158 1 322 . 1 . 1 72 72 LEU C C 13 175.182 0.1 . 1 . . . . . 64 LEU C . 52158 1 323 . 1 . 1 72 72 LEU CA C 13 53.726 0.3 . 1 . . . . . 64 LEU CA . 52158 1 324 . 1 . 1 72 72 LEU CB C 13 43.783 0.3 . 1 . . . . . 64 LEU CB . 52158 1 325 . 1 . 1 72 72 LEU N N 15 116.787 0.15 . 1 . . . . . 64 LEU N . 52158 1 326 . 1 . 1 73 73 LEU H H 1 8.137 0.02 . 1 . . . . . 65 LEU H . 52158 1 327 . 1 . 1 73 73 LEU C C 13 173.784 0.1 . 1 . . . . . 65 LEU C . 52158 1 328 . 1 . 1 73 73 LEU CA C 13 53.106 0.3 . 1 . . . . . 65 LEU CA . 52158 1 329 . 1 . 1 73 73 LEU CB C 13 43.127 0.3 . 1 . . . . . 65 LEU CB . 52158 1 330 . 1 . 1 73 73 LEU N N 15 124.018 0.15 . 1 . . . . . 65 LEU N . 52158 1 331 . 1 . 1 74 74 LEU H H 1 8.769 0.02 . 1 . . . . . 66 LEU H . 52158 1 332 . 1 . 1 74 74 LEU C C 13 176.479 0.1 . 1 . . . . . 66 LEU C . 52158 1 333 . 1 . 1 74 74 LEU CA C 13 54.514 0.3 . 1 . . . . . 66 LEU CA . 52158 1 334 . 1 . 1 74 74 LEU CB C 13 43.103 0.3 . 1 . . . . . 66 LEU CB . 52158 1 335 . 1 . 1 74 74 LEU N N 15 123.160 0.15 . 1 . . . . . 66 LEU N . 52158 1 336 . 1 . 1 75 75 TRP H H 1 8.709 0.02 . 1 . . . . . 67 TRP H . 52158 1 337 . 1 . 1 75 75 TRP C C 13 176.854 0.1 . 1 . . . . . 67 TRP C . 52158 1 338 . 1 . 1 75 75 TRP CA C 13 57.457 0.3 . 1 . . . . . 67 TRP CA . 52158 1 339 . 1 . 1 75 75 TRP CB C 13 30.989 0.3 . 1 . . . . . 67 TRP CB . 52158 1 340 . 1 . 1 75 75 TRP N N 15 120.970 0.15 . 1 . . . . . 67 TRP N . 52158 1 341 . 1 . 1 76 76 ASP H H 1 7.258 0.02 . 1 . . . . . 68 ASP H . 52158 1 342 . 1 . 1 76 76 ASP C C 13 175.259 0.1 . 1 . . . . . 68 ASP C . 52158 1 343 . 1 . 1 76 76 ASP CA C 13 57.595 0.3 . 1 . . . . . 68 ASP CA . 52158 1 344 . 1 . 1 76 76 ASP CB C 13 44.489 0.3 . 1 . . . . . 68 ASP CB . 52158 1 345 . 1 . 1 76 76 ASP N N 15 113.058 0.15 . 1 . . . . . 68 ASP N . 52158 1 346 . 1 . 1 77 77 GLY H H 1 8.172 0.02 . 1 . . . . . 69 GLY H . 52158 1 347 . 1 . 1 77 77 GLY C C 13 174.080 0.1 . 1 . . . . . 69 GLY C . 52158 1 348 . 1 . 1 77 77 GLY CA C 13 45.505 0.3 . 1 . . . . . 69 GLY CA . 52158 1 349 . 1 . 1 77 77 GLY N N 15 117.388 0.15 . 1 . . . . . 69 GLY N . 52158 1 350 . 1 . 1 78 78 TYR H H 1 9.787 0.02 . 1 . . . . . 70 TYR H . 52158 1 351 . 1 . 1 78 78 TYR C C 13 171.444 0.1 . 1 . . . . . 70 TYR C . 52158 1 352 . 1 . 1 78 78 TYR CA C 13 59.332 0.3 . 1 . . . . . 70 TYR CA . 52158 1 353 . 1 . 1 78 78 TYR CB C 13 38.628 0.3 . 1 . . . . . 70 TYR CB . 52158 1 354 . 1 . 1 78 78 TYR N N 15 133.383 0.15 . 1 . . . . . 70 TYR N . 52158 1 355 . 1 . 1 79 79 ARG H H 1 6.033 0.02 . 1 . . . . . 71 ARG H . 52158 1 356 . 1 . 1 79 79 ARG C C 13 172.203 0.1 . 1 . . . . . 71 ARG C . 52158 1 357 . 1 . 1 79 79 ARG CA C 13 50.761 0.3 . 1 . . . . . 71 ARG CA . 52158 1 358 . 1 . 1 79 79 ARG N N 15 130.145 0.15 . 1 . . . . . 71 ARG N . 52158 1 359 . 1 . 1 80 80 PRO C C 13 178.911 0.1 . 1 . . . . . 72 PRO C . 52158 1 360 . 1 . 1 80 80 PRO CA C 13 62.472 0.3 . 1 . . . . . 72 PRO CA . 52158 1 361 . 1 . 1 80 80 PRO CB C 13 32.209 0.3 . 1 . . . . . 72 PRO CB . 52158 1 362 . 1 . 1 81 81 LYS H H 1 8.973 0.02 . 1 . . . . . 73 LYS H . 52158 1 363 . 1 . 1 81 81 LYS C C 13 179.553 0.1 . 1 . . . . . 73 LYS C . 52158 1 364 . 1 . 1 81 81 LYS CA C 13 61.547 0.3 . 1 . . . . . 73 LYS CA . 52158 1 365 . 1 . 1 81 81 LYS CB C 13 32.148 0.3 . 1 . . . . . 73 LYS CB . 52158 1 366 . 1 . 1 81 81 LYS N N 15 124.743 0.15 . 1 . . . . . 73 LYS N . 52158 1 367 . 1 . 1 82 82 ARG H H 1 8.987 0.02 . 1 . . . . . 74 ARG H . 52158 1 368 . 1 . 1 82 82 ARG C C 13 178.917 0.1 . 1 . . . . . 74 ARG C . 52158 1 369 . 1 . 1 82 82 ARG CA C 13 58.714 0.3 . 1 . . . . . 74 ARG CA . 52158 1 370 . 1 . 1 82 82 ARG CB C 13 27.843 0.3 . 1 . . . . . 74 ARG CB . 52158 1 371 . 1 . 1 82 82 ARG N N 15 115.477 0.15 . 1 . . . . . 74 ARG N . 52158 1 372 . 1 . 1 83 83 ALA H H 1 7.454 0.02 . 1 . . . . . 75 ALA H . 52158 1 373 . 1 . 1 83 83 ALA C C 13 179.085 0.1 . 1 . . . . . 75 ALA C . 52158 1 374 . 1 . 1 83 83 ALA CA C 13 54.998 0.3 . 1 . . . . . 75 ALA CA . 52158 1 375 . 1 . 1 83 83 ALA CB C 13 18.966 0.3 . 1 . . . . . 75 ALA CB . 52158 1 376 . 1 . 1 83 83 ALA N N 15 127.072 0.15 . 1 . . . . . 75 ALA N . 52158 1 377 . 1 . 1 84 84 VAL H H 1 6.748 0.02 . 1 . . . . . 76 VAL H . 52158 1 378 . 1 . 1 84 84 VAL C C 13 179.876 0.1 . 1 . . . . . 76 VAL C . 52158 1 379 . 1 . 1 84 84 VAL CA C 13 66.699 0.3 . 1 . . . . . 76 VAL CA . 52158 1 380 . 1 . 1 84 84 VAL CB C 13 30.983 0.3 . 1 . . . . . 76 VAL CB . 52158 1 381 . 1 . 1 84 84 VAL N N 15 119.591 0.15 . 1 . . . . . 76 VAL N . 52158 1 382 . 1 . 1 85 85 ASN H H 1 8.341 0.02 . 1 . . . . . 77 ASN H . 52158 1 383 . 1 . 1 85 85 ASN C C 13 178.489 0.1 . 1 . . . . . 77 ASN C . 52158 1 384 . 1 . 1 85 85 ASN CA C 13 56.279 0.3 . 1 . . . . . 77 ASN CA . 52158 1 385 . 1 . 1 85 85 ASN CB C 13 37.538 0.3 . 1 . . . . . 77 ASN CB . 52158 1 386 . 1 . 1 85 85 ASN N N 15 117.453 0.15 . 1 . . . . . 77 ASN N . 52158 1 387 . 1 . 1 86 86 SER H H 1 7.623 0.02 . 1 . . . . . 78 SER H . 52158 1 388 . 1 . 1 86 86 SER C C 13 178.488 0.1 . 1 . . . . . 78 SER C . 52158 1 389 . 1 . 1 86 86 SER CB C 13 62.116 0.3 . 1 . . . . . 78 SER CB . 52158 1 390 . 1 . 1 86 86 SER N N 15 117.938 0.15 . 1 . . . . . 78 SER N . 52158 1 391 . 1 . 1 87 87 PHE H H 1 8.024 0.02 . 1 . . . . . 79 PHE H . 52158 1 392 . 1 . 1 87 87 PHE C C 13 178.972 0.1 . 1 . . . . . 79 PHE C . 52158 1 393 . 1 . 1 87 87 PHE CA C 13 59.082 0.3 . 1 . . . . . 79 PHE CA . 52158 1 394 . 1 . 1 87 87 PHE CB C 13 36.941 0.3 . 1 . . . . . 79 PHE CB . 52158 1 395 . 1 . 1 87 87 PHE N N 15 123.684 0.15 . 1 . . . . . 79 PHE N . 52158 1 396 . 1 . 1 88 88 MET H H 1 7.767 0.02 . 1 . . . . . 80 MET H . 52158 1 397 . 1 . 1 88 88 MET C C 13 180.190 0.1 . 1 . . . . . 80 MET C . 52158 1 398 . 1 . 1 88 88 MET CA C 13 58.047 0.3 . 1 . . . . . 80 MET CA . 52158 1 399 . 1 . 1 88 88 MET CB C 13 31.170 0.3 . 1 . . . . . 80 MET CB . 52158 1 400 . 1 . 1 88 88 MET N N 15 118.041 0.15 . 1 . . . . . 80 MET N . 52158 1 401 . 1 . 1 89 89 GLN H H 1 8.040 0.02 . 1 . . . . . 81 GLN H . 52158 1 402 . 1 . 1 89 89 GLN C C 13 179.923 0.1 . 1 . . . . . 81 GLN C . 52158 1 403 . 1 . 1 89 89 GLN CA C 13 59.088 0.3 . 1 . . . . . 81 GLN CA . 52158 1 404 . 1 . 1 89 89 GLN CB C 13 28.055 0.3 . 1 . . . . . 81 GLN CB . 52158 1 405 . 1 . 1 89 89 GLN N N 15 120.100 0.15 . 1 . . . . . 81 GLN N . 52158 1 406 . 1 . 1 90 90 TRP H H 1 8.606 0.02 . 1 . . . . . 82 TRP H . 52158 1 407 . 1 . 1 90 90 TRP C C 13 179.802 0.1 . 1 . . . . . 82 TRP C . 52158 1 408 . 1 . 1 90 90 TRP CA C 13 62.161 0.3 . 1 . . . . . 82 TRP CA . 52158 1 409 . 1 . 1 90 90 TRP CB C 13 28.019 0.3 . 1 . . . . . 82 TRP CB . 52158 1 410 . 1 . 1 90 90 TRP N N 15 123.613 0.15 . 1 . . . . . 82 TRP N . 52158 1 411 . 1 . 1 91 91 ALA H H 1 8.381 0.02 . 1 . . . . . 83 ALA H . 52158 1 412 . 1 . 1 91 91 ALA C C 13 176.777 0.1 . 1 . . . . . 83 ALA C . 52158 1 413 . 1 . 1 91 91 ALA CA C 13 54.697 0.3 . 1 . . . . . 83 ALA CA . 52158 1 414 . 1 . 1 91 91 ALA CB C 13 17.557 0.3 . 1 . . . . . 83 ALA CB . 52158 1 415 . 1 . 1 91 91 ALA N N 15 121.517 0.15 . 1 . . . . . 83 ALA N . 52158 1 416 . 1 . 1 92 92 ALA H H 1 7.075 0.02 . 1 . . . . . 84 ALA H . 52158 1 417 . 1 . 1 92 92 ALA C C 13 178.444 0.1 . 1 . . . . . 84 ALA C . 52158 1 418 . 1 . 1 92 92 ALA CA C 13 51.668 0.3 . 1 . . . . . 84 ALA CA . 52158 1 419 . 1 . 1 92 92 ALA CB C 13 19.034 0.3 . 1 . . . . . 84 ALA CB . 52158 1 420 . 1 . 1 92 92 ALA N N 15 117.731 0.15 . 1 . . . . . 84 ALA N . 52158 1 421 . 1 . 1 93 93 GLN H H 1 7.193 0.02 . 1 . . . . . 85 GLN H . 52158 1 422 . 1 . 1 93 93 GLN C C 13 173.716 0.1 . 1 . . . . . 85 GLN C . 52158 1 423 . 1 . 1 93 93 GLN CA C 13 54.250 0.3 . 1 . . . . . 85 GLN CA . 52158 1 424 . 1 . 1 93 93 GLN CB C 13 27.087 0.3 . 1 . . . . . 85 GLN CB . 52158 1 425 . 1 . 1 93 93 GLN N N 15 120.389 0.15 . 1 . . . . . 85 GLN N . 52158 1 426 . 1 . 1 94 94 PRO C C 13 176.845 0.1 . 1 . . . . . 86 PRO C . 52158 1 427 . 1 . 1 94 94 PRO CA C 13 62.559 0.3 . 1 . . . . . 86 PRO CA . 52158 1 428 . 1 . 1 94 94 PRO CB C 13 31.547 0.3 . 1 . . . . . 86 PRO CB . 52158 1 429 . 1 . 1 95 95 GLU H H 1 8.369 0.02 . 1 . . . . . 87 GLU H . 52158 1 430 . 1 . 1 95 95 GLU C C 13 176.309 0.1 . 1 . . . . . 87 GLU C . 52158 1 431 . 1 . 1 95 95 GLU CA C 13 57.206 0.3 . 1 . . . . . 87 GLU CA . 52158 1 432 . 1 . 1 95 95 GLU CB C 13 30.464 0.3 . 1 . . . . . 87 GLU CB . 52158 1 433 . 1 . 1 95 95 GLU N N 15 122.092 0.15 . 1 . . . . . 87 GLU N . 52158 1 434 . 1 . 1 96 96 ASN H H 1 7.495 0.02 . 1 . . . . . 88 ASN H . 52158 1 435 . 1 . 1 96 96 ASN C C 13 176.851 0.1 . 1 . . . . . 88 ASN C . 52158 1 436 . 1 . 1 96 96 ASN CA C 13 52.559 0.3 . 1 . . . . . 88 ASN CA . 52158 1 437 . 1 . 1 96 96 ASN CB C 13 38.628 0.3 . 1 . . . . . 88 ASN CB . 52158 1 438 . 1 . 1 96 96 ASN N N 15 125.347 0.15 . 1 . . . . . 88 ASN N . 52158 1 439 . 1 . 1 97 97 ASN H H 1 10.702 0.02 . 1 . . . . . 89 ASN H . 52158 1 440 . 1 . 1 97 97 ASN C C 13 175.747 0.1 . 1 . . . . . 89 ASN C . 52158 1 441 . 1 . 1 97 97 ASN CA C 13 55.809 0.3 . 1 . . . . . 89 ASN CA . 52158 1 442 . 1 . 1 97 97 ASN CB C 13 37.822 0.3 . 1 . . . . . 89 ASN CB . 52158 1 443 . 1 . 1 97 97 ASN N N 15 117.736 0.15 . 1 . . . . . 89 ASN N . 52158 1 444 . 1 . 1 98 98 LEU H H 1 7.598 0.02 . 1 . . . . . 90 LEU H . 52158 1 445 . 1 . 1 98 98 LEU C C 13 179.613 0.1 . 1 . . . . . 90 LEU C . 52158 1 446 . 1 . 1 98 98 LEU CA C 13 58.937 0.3 . 1 . . . . . 90 LEU CA . 52158 1 447 . 1 . 1 98 98 LEU CB C 13 42.489 0.3 . 1 . . . . . 90 LEU CB . 52158 1 448 . 1 . 1 98 98 LEU N N 15 121.286 0.15 . 1 . . . . . 90 LEU N . 52158 1 449 . 1 . 1 99 99 THR H H 1 9.008 0.02 . 1 . . . . . 91 THR H . 52158 1 450 . 1 . 1 99 99 THR C C 13 175.778 0.1 . 1 . . . . . 91 THR C . 52158 1 451 . 1 . 1 99 99 THR CA C 13 61.103 0.3 . 1 . . . . . 91 THR CA . 52158 1 452 . 1 . 1 99 99 THR CB C 13 70.466 0.3 . 1 . . . . . 91 THR CB . 52158 1 453 . 1 . 1 99 99 THR N N 15 107.013 0.15 . 1 . . . . . 91 THR N . 52158 1 454 . 1 . 1 100 100 LYS H H 1 6.535 0.02 . 1 . . . . . 92 LYS H . 52158 1 455 . 1 . 1 100 100 LYS C C 13 178.241 0.1 . 1 . . . . . 92 LYS C . 52158 1 456 . 1 . 1 100 100 LYS CA C 13 60.050 0.3 . 1 . . . . . 92 LYS CA . 52158 1 457 . 1 . 1 100 100 LYS CB C 13 32.485 0.3 . 1 . . . . . 92 LYS CB . 52158 1 458 . 1 . 1 100 100 LYS N N 15 123.430 0.15 . 1 . . . . . 92 LYS N . 52158 1 459 . 1 . 1 101 101 GLU H H 1 8.463 0.02 . 1 . . . . . 93 GLU H . 52158 1 460 . 1 . 1 101 101 GLU C C 13 178.249 0.1 . 1 . . . . . 93 GLU C . 52158 1 461 . 1 . 1 101 101 GLU CA C 13 59.899 0.3 . 1 . . . . . 93 GLU CA . 52158 1 462 . 1 . 1 101 101 GLU CB C 13 28.928 0.3 . 1 . . . . . 93 GLU CB . 52158 1 463 . 1 . 1 101 101 GLU N N 15 116.635 0.15 . 1 . . . . . 93 GLU N . 52158 1 464 . 1 . 1 102 102 SER H H 1 7.376 0.02 . 1 . . . . . 94 SER H . 52158 1 465 . 1 . 1 102 102 SER C C 13 175.090 0.1 . 1 . . . . . 94 SER C . 52158 1 466 . 1 . 1 102 102 SER CA C 13 60.659 0.3 . 1 . . . . . 94 SER CA . 52158 1 467 . 1 . 1 102 102 SER CB C 13 64.227 0.3 . 1 . . . . . 94 SER CB . 52158 1 468 . 1 . 1 102 102 SER N N 15 109.297 0.15 . 1 . . . . . 94 SER N . 52158 1 469 . 1 . 1 103 103 TYR H H 1 7.565 0.02 . 1 . . . . . 95 TYR H . 52158 1 470 . 1 . 1 103 103 TYR C C 13 173.253 0.1 . 1 . . . . . 95 TYR C . 52158 1 471 . 1 . 1 103 103 TYR CA C 13 61.378 0.3 . 1 . . . . . 95 TYR CA . 52158 1 472 . 1 . 1 103 103 TYR CB C 13 41.150 0.3 . 1 . . . . . 95 TYR CB . 52158 1 473 . 1 . 1 103 103 TYR N N 15 114.686 0.15 . 1 . . . . . 95 TYR N . 52158 1 474 . 1 . 1 104 104 TYR H H 1 8.658 0.02 . 1 . . . . . 96 TYR H . 52158 1 475 . 1 . 1 104 104 TYR C C 13 173.241 0.1 . 1 . . . . . 96 TYR C . 52158 1 476 . 1 . 1 104 104 TYR CA C 13 55.072 0.3 . 1 . . . . . 96 TYR CA . 52158 1 477 . 1 . 1 104 104 TYR CB C 13 34.275 0.3 . 1 . . . . . 96 TYR CB . 52158 1 478 . 1 . 1 104 104 TYR N N 15 114.600 0.15 . 1 . . . . . 96 TYR N . 52158 1 479 . 1 . 1 105 105 PRO C C 13 178.590 0.1 . 1 . . . . . 97 PRO C . 52158 1 480 . 1 . 1 105 105 PRO CA C 13 65.421 0.3 . 1 . . . . . 97 PRO CA . 52158 1 481 . 1 . 1 105 105 PRO CB C 13 31.500 0.3 . 1 . . . . . 97 PRO CB . 52158 1 482 . 1 . 1 106 106 ASN H H 1 8.725 0.02 . 1 . . . . . 98 ASN H . 52158 1 483 . 1 . 1 106 106 ASN C C 13 175.064 0.1 . 1 . . . . . 98 ASN C . 52158 1 484 . 1 . 1 106 106 ASN CA C 13 53.537 0.3 . 1 . . . . . 98 ASN CA . 52158 1 485 . 1 . 1 106 106 ASN CB C 13 40.354 0.3 . 1 . . . . . 98 ASN CB . 52158 1 486 . 1 . 1 106 106 ASN N N 15 113.253 0.15 . 1 . . . . . 98 ASN N . 52158 1 487 . 1 . 1 107 107 ILE H H 1 7.131 0.02 . 1 . . . . . 99 ILE H . 52158 1 488 . 1 . 1 107 107 ILE C C 13 173.893 0.1 . 1 . . . . . 99 ILE C . 52158 1 489 . 1 . 1 107 107 ILE CA C 13 59.558 0.3 . 1 . . . . . 99 ILE CA . 52158 1 490 . 1 . 1 107 107 ILE CB C 13 41.637 0.3 . 1 . . . . . 99 ILE CB . 52158 1 491 . 1 . 1 107 107 ILE N N 15 115.522 0.15 . 1 . . . . . 99 ILE N . 52158 1 492 . 1 . 1 108 108 ASP H H 1 8.499 0.02 . 1 . . . . . 100 ASP H . 52158 1 493 . 1 . 1 108 108 ASP C C 13 178.798 0.1 . 1 . . . . . 100 ASP C . 52158 1 494 . 1 . 1 108 108 ASP CA C 13 53.049 0.3 . 1 . . . . . 100 ASP CA . 52158 1 495 . 1 . 1 108 108 ASP CB C 13 43.108 0.3 . 1 . . . . . 100 ASP CB . 52158 1 496 . 1 . 1 108 108 ASP N N 15 119.701 0.15 . 1 . . . . . 100 ASP N . 52158 1 497 . 1 . 1 109 109 ARG H H 1 8.933 0.02 . 1 . . . . . 101 ARG H . 52158 1 498 . 1 . 1 109 109 ARG C C 13 179.061 0.1 . 1 . . . . . 101 ARG C . 52158 1 499 . 1 . 1 109 109 ARG CA C 13 60.541 0.3 . 1 . . . . . 101 ARG CA . 52158 1 500 . 1 . 1 109 109 ARG CB C 13 30.109 0.3 . 1 . . . . . 101 ARG CB . 52158 1 501 . 1 . 1 109 109 ARG N N 15 121.211 0.15 . 1 . . . . . 101 ARG N . 52158 1 502 . 1 . 1 110 110 THR H H 1 7.887 0.02 . 1 . . . . . 102 THR H . 52158 1 503 . 1 . 1 110 110 THR C C 13 178.031 0.1 . 1 . . . . . 102 THR C . 52158 1 504 . 1 . 1 110 110 THR CA C 13 65.163 0.3 . 1 . . . . . 102 THR CA . 52158 1 505 . 1 . 1 110 110 THR CB C 13 68.737 0.3 . 1 . . . . . 102 THR CB . 52158 1 506 . 1 . 1 110 110 THR N N 15 108.291 0.15 . 1 . . . . . 102 THR N . 52158 1 507 . 1 . 1 111 111 GLU H H 1 8.020 0.02 . 1 . . . . . 103 GLU H . 52158 1 508 . 1 . 1 111 111 GLU C C 13 178.307 0.1 . 1 . . . . . 103 GLU C . 52158 1 509 . 1 . 1 111 111 GLU CA C 13 57.372 0.3 . 1 . . . . . 103 GLU CA . 52158 1 510 . 1 . 1 111 111 GLU CB C 13 30.384 0.3 . 1 . . . . . 103 GLU CB . 52158 1 511 . 1 . 1 111 111 GLU N N 15 122.719 0.15 . 1 . . . . . 103 GLU N . 52158 1 512 . 1 . 1 112 112 MET H H 1 7.789 0.02 . 1 . . . . . 104 MET H . 52158 1 513 . 1 . 1 112 112 MET C C 13 177.590 0.1 . 1 . . . . . 104 MET C . 52158 1 514 . 1 . 1 112 112 MET CA C 13 60.744 0.3 . 1 . . . . . 104 MET CA . 52158 1 515 . 1 . 1 112 112 MET CB C 13 32.480 0.3 . 1 . . . . . 104 MET CB . 52158 1 516 . 1 . 1 112 112 MET N N 15 119.494 0.15 . 1 . . . . . 104 MET N . 52158 1 517 . 1 . 1 113 113 ILE H H 1 6.915 0.02 . 1 . . . . . 105 ILE H . 52158 1 518 . 1 . 1 113 113 ILE C C 13 181.108 0.1 . 1 . . . . . 105 ILE C . 52158 1 519 . 1 . 1 113 113 ILE CA C 13 63.495 0.3 . 1 . . . . . 105 ILE CA . 52158 1 520 . 1 . 1 113 113 ILE N N 15 116.954 0.15 . 1 . . . . . 105 ILE N . 52158 1 521 . 1 . 1 114 114 SER H H 1 8.372 0.02 . 1 . . . . . 106 SER H . 52158 1 522 . 1 . 1 114 114 SER C C 13 177.725 0.1 . 1 . . . . . 106 SER C . 52158 1 523 . 1 . 1 114 114 SER CA C 13 61.894 0.3 . 1 . . . . . 106 SER CA . 52158 1 524 . 1 . 1 114 114 SER N N 15 118.226 0.15 . 1 . . . . . 106 SER N . 52158 1 525 . 1 . 1 115 115 LYS H H 1 8.326 0.02 . 1 . . . . . 107 LYS H . 52158 1 526 . 1 . 1 115 115 LYS C C 13 177.546 0.1 . 1 . . . . . 107 LYS C . 52158 1 527 . 1 . 1 115 115 LYS CA C 13 57.114 0.3 . 1 . . . . . 107 LYS CA . 52158 1 528 . 1 . 1 115 115 LYS CB C 13 32.689 0.3 . 1 . . . . . 107 LYS CB . 52158 1 529 . 1 . 1 115 115 LYS N N 15 117.947 0.15 . 1 . . . . . 107 LYS N . 52158 1 530 . 1 . 1 116 116 GLY H H 1 8.670 0.02 . 1 . . . . . 108 GLY H . 52158 1 531 . 1 . 1 116 116 GLY C C 13 175.039 0.1 . 1 . . . . . 108 GLY C . 52158 1 532 . 1 . 1 116 116 GLY CA C 13 46.089 0.3 . 1 . . . . . 108 GLY CA . 52158 1 533 . 1 . 1 116 116 GLY N N 15 108.883 0.15 . 1 . . . . . 108 GLY N . 52158 1 534 . 1 . 1 117 117 TYR H H 1 7.500 0.02 . 1 . . . . . 109 TYR H . 52158 1 535 . 1 . 1 117 117 TYR C C 13 174.295 0.1 . 1 . . . . . 109 TYR C . 52158 1 536 . 1 . 1 117 117 TYR CA C 13 61.206 0.3 . 1 . . . . . 109 TYR CA . 52158 1 537 . 1 . 1 117 117 TYR CB C 13 38.672 0.3 . 1 . . . . . 109 TYR CB . 52158 1 538 . 1 . 1 117 117 TYR N N 15 119.533 0.15 . 1 . . . . . 109 TYR N . 52158 1 539 . 1 . 1 119 119 ALA H H 1 10.095 0.02 . 1 . . . . . 111 ALA H . 52158 1 540 . 1 . 1 119 119 ALA CA C 13 49.251 0.3 . 1 . . . . . 111 ALA CA . 52158 1 541 . 1 . 1 119 119 ALA N N 15 130.341 0.15 . 1 . . . . . 111 ALA N . 52158 1 542 . 1 . 1 120 120 SER H H 1 9.066 0.02 . 1 . . . . . 112 SER H . 52158 1 543 . 1 . 1 120 120 SER CA C 13 55.088 0.3 . 1 . . . . . 112 SER CA . 52158 1 544 . 1 . 1 120 120 SER N N 15 115.768 0.15 . 1 . . . . . 112 SER N . 52158 1 545 . 1 . 1 122 122 SER H H 1 9.067 0.02 . 1 . . . . . 114 SER H . 52158 1 546 . 1 . 1 122 122 SER CA C 13 54.352 0.3 . 1 . . . . . 114 SER CA . 52158 1 547 . 1 . 1 122 122 SER N N 15 115.740 0.15 . 1 . . . . . 114 SER N . 52158 1 548 . 1 . 1 123 123 SER H H 1 8.509 0.02 . 1 . . . . . 115 SER H . 52158 1 549 . 1 . 1 123 123 SER C C 13 172.431 0.1 . 1 . . . . . 115 SER C . 52158 1 550 . 1 . 1 123 123 SER CA C 13 60.019 0.3 . 1 . . . . . 115 SER CA . 52158 1 551 . 1 . 1 123 123 SER CB C 13 63.654 0.3 . 1 . . . . . 115 SER CB . 52158 1 552 . 1 . 1 123 123 SER N N 15 119.341 0.15 . 1 . . . . . 115 SER N . 52158 1 553 . 1 . 1 124 124 HIS H H 1 7.710 0.02 . 1 . . . . . 116 HIS H . 52158 1 554 . 1 . 1 124 124 HIS C C 13 180.851 0.1 . 1 . . . . . 116 HIS C . 52158 1 555 . 1 . 1 124 124 HIS CA C 13 55.597 0.3 . 1 . . . . . 116 HIS CA . 52158 1 556 . 1 . 1 124 124 HIS CB C 13 31.117 0.3 . 1 . . . . . 116 HIS CB . 52158 1 557 . 1 . 1 124 124 HIS N N 15 121.203 0.15 . 1 . . . . . 116 HIS N . 52158 1 558 . 1 . 1 125 125 SER H H 1 8.510 0.02 . 1 . . . . . 117 SER H . 52158 1 559 . 1 . 1 125 125 SER C C 13 173.202 0.1 . 1 . . . . . 117 SER C . 52158 1 560 . 1 . 1 125 125 SER CA C 13 59.283 0.3 . 1 . . . . . 117 SER CA . 52158 1 561 . 1 . 1 125 125 SER CB C 13 63.093 0.3 . 1 . . . . . 117 SER CB . 52158 1 562 . 1 . 1 125 125 SER N N 15 119.409 0.15 . 1 . . . . . 117 SER N . 52158 1 563 . 1 . 1 126 126 ARG H H 1 7.446 0.02 . 1 . . . . . 118 ARG H . 52158 1 564 . 1 . 1 126 126 ARG C C 13 180.088 0.1 . 1 . . . . . 118 ARG C . 52158 1 565 . 1 . 1 126 126 ARG CA C 13 55.285 0.3 . 1 . . . . . 118 ARG CA . 52158 1 566 . 1 . 1 126 126 ARG CB C 13 29.422 0.3 . 1 . . . . . 118 ARG CB . 52158 1 567 . 1 . 1 126 126 ARG N N 15 116.969 0.15 . 1 . . . . . 118 ARG N . 52158 1 568 . 1 . 1 127 127 GLY H H 1 7.530 0.02 . 1 . . . . . 119 GLY H . 52158 1 569 . 1 . 1 127 127 GLY C C 13 174.001 0.1 . 1 . . . . . 119 GLY C . 52158 1 570 . 1 . 1 127 127 GLY CA C 13 48.558 0.3 . 1 . . . . . 119 GLY CA . 52158 1 571 . 1 . 1 127 127 GLY N N 15 102.068 0.15 . 1 . . . . . 119 GLY N . 52158 1 572 . 1 . 1 128 128 SER H H 1 8.467 0.02 . 1 . . . . . 120 SER H . 52158 1 573 . 1 . 1 128 128 SER C C 13 172.090 0.1 . 1 . . . . . 120 SER C . 52158 1 574 . 1 . 1 128 128 SER CA C 13 56.973 0.3 . 1 . . . . . 120 SER CA . 52158 1 575 . 1 . 1 128 128 SER CB C 13 63.344 0.3 . 1 . . . . . 120 SER CB . 52158 1 576 . 1 . 1 128 128 SER N N 15 114.025 0.15 . 1 . . . . . 120 SER N . 52158 1 577 . 1 . 1 129 129 ALA C C 13 175.602 0.1 . 1 . . . . . 121 ALA C . 52158 1 578 . 1 . 1 129 129 ALA CA C 13 49.524 0.3 . 1 . . . . . 121 ALA CA . 52158 1 579 . 1 . 1 129 129 ALA CB C 13 20.988 0.3 . 1 . . . . . 121 ALA CB . 52158 1 580 . 1 . 1 130 130 ILE H H 1 9.080 0.02 . 1 . . . . . 122 ILE H . 52158 1 581 . 1 . 1 130 130 ILE C C 13 170.622 0.1 . 1 . . . . . 122 ILE C . 52158 1 582 . 1 . 1 130 130 ILE CA C 13 56.190 0.3 . 1 . . . . . 122 ILE CA . 52158 1 583 . 1 . 1 130 130 ILE CB C 13 44.633 0.3 . 1 . . . . . 122 ILE CB . 52158 1 584 . 1 . 1 130 130 ILE N N 15 118.245 0.15 . 1 . . . . . 122 ILE N . 52158 1 585 . 1 . 1 131 131 ASP H H 1 8.802 0.02 . 1 . . . . . 123 ASP H . 52158 1 586 . 1 . 1 131 131 ASP C C 13 176.265 0.1 . 1 . . . . . 123 ASP C . 52158 1 587 . 1 . 1 131 131 ASP CA C 13 52.847 0.3 . 1 . . . . . 123 ASP CA . 52158 1 588 . 1 . 1 131 131 ASP CB C 13 43.922 0.3 . 1 . . . . . 123 ASP CB . 52158 1 589 . 1 . 1 131 131 ASP N N 15 126.919 0.15 . 1 . . . . . 123 ASP N . 52158 1 590 . 1 . 1 132 132 LEU H H 1 9.648 0.02 . 1 . . . . . 124 LEU H . 52158 1 591 . 1 . 1 132 132 LEU C C 13 171.562 0.1 . 1 . . . . . 124 LEU C . 52158 1 592 . 1 . 1 132 132 LEU CA C 13 55.562 0.3 . 1 . . . . . 124 LEU CA . 52158 1 593 . 1 . 1 132 132 LEU CB C 13 45.377 0.3 . 1 . . . . . 124 LEU CB . 52158 1 594 . 1 . 1 132 132 LEU N N 15 127.659 0.15 . 1 . . . . . 124 LEU N . 52158 1 595 . 1 . 1 133 133 THR H H 1 7.765 0.02 . 1 . . . . . 125 THR H . 52158 1 596 . 1 . 1 133 133 THR C C 13 173.617 0.1 . 1 . . . . . 125 THR C . 52158 1 597 . 1 . 1 133 133 THR CA C 13 58.792 0.3 . 1 . . . . . 125 THR CA . 52158 1 598 . 1 . 1 133 133 THR CB C 13 70.127 0.3 . 1 . . . . . 125 THR CB . 52158 1 599 . 1 . 1 133 133 THR N N 15 106.112 0.15 . 1 . . . . . 125 THR N . 52158 1 600 . 1 . 1 134 134 LEU H H 1 7.926 0.02 . 1 . . . . . 126 LEU H . 52158 1 601 . 1 . 1 134 134 LEU C C 13 177.609 0.1 . 1 . . . . . 126 LEU C . 52158 1 602 . 1 . 1 134 134 LEU CA C 13 52.699 0.3 . 1 . . . . . 126 LEU CA . 52158 1 603 . 1 . 1 134 134 LEU CB C 13 45.732 0.3 . 1 . . . . . 126 LEU CB . 52158 1 604 . 1 . 1 134 134 LEU N N 15 116.280 0.15 . 1 . . . . . 126 LEU N . 52158 1 605 . 1 . 1 135 135 TYR H H 1 8.462 0.02 . 1 . . . . . 127 TYR H . 52158 1 606 . 1 . 1 135 135 TYR C C 13 174.586 0.1 . 1 . . . . . 127 TYR C . 52158 1 607 . 1 . 1 135 135 TYR CA C 13 56.528 0.3 . 1 . . . . . 127 TYR CA . 52158 1 608 . 1 . 1 135 135 TYR CB C 13 42.291 0.3 . 1 . . . . . 127 TYR CB . 52158 1 609 . 1 . 1 135 135 TYR N N 15 117.140 0.15 . 1 . . . . . 127 TYR N . 52158 1 610 . 1 . 1 136 136 ARG H H 1 9.502 0.02 . 1 . . . . . 128 ARG H . 52158 1 611 . 1 . 1 136 136 ARG C C 13 177.918 0.1 . 1 . . . . . 128 ARG C . 52158 1 612 . 1 . 1 136 136 ARG CA C 13 56.368 0.3 . 1 . . . . . 128 ARG CA . 52158 1 613 . 1 . 1 136 136 ARG CB C 13 30.731 0.3 . 1 . . . . . 128 ARG CB . 52158 1 614 . 1 . 1 136 136 ARG N N 15 122.039 0.15 . 1 . . . . . 128 ARG N . 52158 1 615 . 1 . 1 137 137 LEU H H 1 8.277 0.02 . 1 . . . . . 129 LEU H . 52158 1 616 . 1 . 1 137 137 LEU C C 13 179.222 0.1 . 1 . . . . . 129 LEU C . 52158 1 617 . 1 . 1 137 137 LEU CA C 13 57.424 0.3 . 1 . . . . . 129 LEU CA . 52158 1 618 . 1 . 1 137 137 LEU CB C 13 41.197 0.3 . 1 . . . . . 129 LEU CB . 52158 1 619 . 1 . 1 137 137 LEU N N 15 122.528 0.15 . 1 . . . . . 129 LEU N . 52158 1 620 . 1 . 1 138 138 ASP H H 1 8.783 0.02 . 1 . . . . . 130 ASP H . 52158 1 621 . 1 . 1 138 138 ASP C C 13 179.147 0.1 . 1 . . . . . 130 ASP C . 52158 1 622 . 1 . 1 138 138 ASP CA C 13 56.528 0.3 . 1 . . . . . 130 ASP CA . 52158 1 623 . 1 . 1 138 138 ASP CB C 13 38.651 0.3 . 1 . . . . . 130 ASP CB . 52158 1 624 . 1 . 1 138 138 ASP N N 15 117.342 0.15 . 1 . . . . . 130 ASP N . 52158 1 625 . 1 . 1 139 139 THR H H 1 8.454 0.02 . 1 . . . . . 131 THR H . 52158 1 626 . 1 . 1 139 139 THR C C 13 177.044 0.1 . 1 . . . . . 131 THR C . 52158 1 627 . 1 . 1 139 139 THR CA C 13 61.665 0.3 . 1 . . . . . 131 THR CA . 52158 1 628 . 1 . 1 139 139 THR CB C 13 70.889 0.3 . 1 . . . . . 131 THR CB . 52158 1 629 . 1 . 1 139 139 THR N N 15 109.600 0.15 . 1 . . . . . 131 THR N . 52158 1 630 . 1 . 1 140 140 GLY H H 1 7.862 0.02 . 1 . . . . . 132 GLY H . 52158 1 631 . 1 . 1 140 140 GLY C C 13 174.404 0.1 . 1 . . . . . 132 GLY C . 52158 1 632 . 1 . 1 140 140 GLY CA C 13 46.562 0.3 . 1 . . . . . 132 GLY CA . 52158 1 633 . 1 . 1 140 140 GLY N N 15 111.384 0.15 . 1 . . . . . 132 GLY N . 52158 1 634 . 1 . 1 141 141 GLU H H 1 7.660 0.02 . 1 . . . . . 133 GLU H . 52158 1 635 . 1 . 1 141 141 GLU C C 13 177.571 0.1 . 1 . . . . . 133 GLU C . 52158 1 636 . 1 . 1 141 141 GLU CA C 13 56.838 0.3 . 1 . . . . . 133 GLU CA . 52158 1 637 . 1 . 1 141 141 GLU CB C 13 31.275 0.3 . 1 . . . . . 133 GLU CB . 52158 1 638 . 1 . 1 141 141 GLU N N 15 117.900 0.15 . 1 . . . . . 133 GLU N . 52158 1 639 . 1 . 1 142 142 LEU H H 1 8.774 0.02 . 1 . . . . . 134 LEU H . 52158 1 640 . 1 . 1 142 142 LEU C C 13 178.216 0.1 . 1 . . . . . 134 LEU C . 52158 1 641 . 1 . 1 142 142 LEU CA C 13 56.190 0.3 . 1 . . . . . 134 LEU CA . 52158 1 642 . 1 . 1 142 142 LEU CB C 13 41.045 0.3 . 1 . . . . . 134 LEU CB . 52158 1 643 . 1 . 1 142 142 LEU N N 15 124.132 0.15 . 1 . . . . . 134 LEU N . 52158 1 644 . 1 . 1 143 143 VAL H H 1 7.356 0.02 . 1 . . . . . 135 VAL H . 52158 1 645 . 1 . 1 143 143 VAL C C 13 174.687 0.1 . 1 . . . . . 135 VAL C . 52158 1 646 . 1 . 1 143 143 VAL CA C 13 60.332 0.3 . 1 . . . . . 135 VAL CA . 52158 1 647 . 1 . 1 143 143 VAL CB C 13 32.000 0.3 . 1 . . . . . 135 VAL CB . 52158 1 648 . 1 . 1 143 143 VAL N N 15 124.697 0.15 . 1 . . . . . 135 VAL N . 52158 1 649 . 1 . 1 144 144 PRO C C 13 177.229 0.1 . 1 . . . . . 136 PRO C . 52158 1 650 . 1 . 1 144 144 PRO CA C 13 64.064 0.3 . 1 . . . . . 136 PRO CA . 52158 1 651 . 1 . 1 144 144 PRO CB C 13 31.581 0.3 . 1 . . . . . 136 PRO CB . 52158 1 652 . 1 . 1 145 145 MET H H 1 8.051 0.02 . 1 . . . . . 137 MET H . 52158 1 653 . 1 . 1 145 145 MET C C 13 179.730 0.1 . 1 . . . . . 137 MET C . 52158 1 654 . 1 . 1 145 145 MET CA C 13 53.669 0.3 . 1 . . . . . 137 MET CA . 52158 1 655 . 1 . 1 145 145 MET CB C 13 33.706 0.3 . 1 . . . . . 137 MET CB . 52158 1 656 . 1 . 1 145 145 MET N N 15 121.205 0.15 . 1 . . . . . 137 MET N . 52158 1 657 . 1 . 1 146 146 GLY H H 1 8.835 0.02 . 1 . . . . . 138 GLY H . 52158 1 658 . 1 . 1 146 146 GLY C C 13 173.212 0.1 . 1 . . . . . 138 GLY C . 52158 1 659 . 1 . 1 146 146 GLY CA C 13 46.494 0.3 . 1 . . . . . 138 GLY CA . 52158 1 660 . 1 . 1 146 146 GLY N N 15 112.694 0.15 . 1 . . . . . 138 GLY N . 52158 1 661 . 1 . 1 147 147 SER H H 1 7.127 0.02 . 1 . . . . . 139 SER H . 52158 1 662 . 1 . 1 147 147 SER C C 13 173.269 0.1 . 1 . . . . . 139 SER C . 52158 1 663 . 1 . 1 147 147 SER CA C 13 58.169 0.3 . 1 . . . . . 139 SER CA . 52158 1 664 . 1 . 1 147 147 SER CB C 13 65.825 0.3 . 1 . . . . . 139 SER CB . 52158 1 665 . 1 . 1 147 147 SER N N 15 109.798 0.15 . 1 . . . . . 139 SER N . 52158 1 666 . 1 . 1 148 148 ARG H H 1 7.723 0.02 . 1 . . . . . 140 ARG H . 52158 1 667 . 1 . 1 148 148 ARG C C 13 175.011 0.1 . 1 . . . . . 140 ARG C . 52158 1 668 . 1 . 1 148 148 ARG CA C 13 54.855 0.3 . 1 . . . . . 140 ARG CA . 52158 1 669 . 1 . 1 148 148 ARG CB C 13 31.594 0.3 . 1 . . . . . 140 ARG CB . 52158 1 670 . 1 . 1 148 148 ARG N N 15 117.775 0.15 . 1 . . . . . 140 ARG N . 52158 1 671 . 1 . 1 149 149 PHE H H 1 7.217 0.02 . 1 . . . . . 141 PHE H . 52158 1 672 . 1 . 1 149 149 PHE C C 13 175.615 0.1 . 1 . . . . . 141 PHE C . 52158 1 673 . 1 . 1 149 149 PHE CA C 13 58.051 0.3 . 1 . . . . . 141 PHE CA . 52158 1 674 . 1 . 1 149 149 PHE CB C 13 36.227 0.3 . 1 . . . . . 141 PHE CB . 52158 1 675 . 1 . 1 149 149 PHE N N 15 118.701 0.15 . 1 . . . . . 141 PHE N . 52158 1 676 . 1 . 1 150 150 ASP H H 1 3.458 0.02 . 1 . . . . . 142 ASP H . 52158 1 677 . 1 . 1 150 150 ASP C C 13 172.648 0.1 . 1 . . . . . 142 ASP C . 52158 1 678 . 1 . 1 150 150 ASP CA C 13 58.033 0.3 . 1 . . . . . 142 ASP CA . 52158 1 679 . 1 . 1 150 150 ASP CB C 13 36.915 0.3 . 1 . . . . . 142 ASP CB . 52158 1 680 . 1 . 1 150 150 ASP N N 15 120.343 0.15 . 1 . . . . . 142 ASP N . 52158 1 681 . 1 . 1 151 151 PHE H H 1 7.125 0.02 . 1 . . . . . 143 PHE H . 52158 1 682 . 1 . 1 151 151 PHE C C 13 176.262 0.1 . 1 . . . . . 143 PHE C . 52158 1 683 . 1 . 1 151 151 PHE CA C 13 58.473 0.3 . 1 . . . . . 143 PHE CA . 52158 1 684 . 1 . 1 151 151 PHE CB C 13 38.632 0.3 . 1 . . . . . 143 PHE CB . 52158 1 685 . 1 . 1 151 151 PHE N N 15 115.517 0.15 . 1 . . . . . 143 PHE N . 52158 1 686 . 1 . 1 152 152 MET H H 1 9.018 0.02 . 1 . . . . . 144 MET H . 52158 1 687 . 1 . 1 152 152 MET C C 13 181.985 0.1 . 1 . . . . . 144 MET C . 52158 1 688 . 1 . 1 152 152 MET CA C 13 55.662 0.3 . 1 . . . . . 144 MET CA . 52158 1 689 . 1 . 1 152 152 MET CB C 13 29.667 0.3 . 1 . . . . . 144 MET CB . 52158 1 690 . 1 . 1 152 152 MET N N 15 134.755 0.15 . 1 . . . . . 144 MET N . 52158 1 691 . 1 . 1 153 153 ASP C C 13 175.202 0.1 . 1 . . . . . 145 ASP C . 52158 1 692 . 1 . 1 154 154 GLU H H 1 8.511 0.02 . 1 . . . . . 146 GLU H . 52158 1 693 . 1 . 1 154 154 GLU C C 13 178.126 0.1 . 1 . . . . . 146 GLU C . 52158 1 694 . 1 . 1 154 154 GLU CA C 13 58.676 0.3 . 1 . . . . . 146 GLU CA . 52158 1 695 . 1 . 1 154 154 GLU CB C 13 28.646 0.3 . 1 . . . . . 146 GLU CB . 52158 1 696 . 1 . 1 154 154 GLU N N 15 125.343 0.15 . 1 . . . . . 146 GLU N . 52158 1 697 . 1 . 1 155 155 ARG H H 1 9.616 0.02 . 1 . . . . . 147 ARG H . 52158 1 698 . 1 . 1 155 155 ARG C C 13 179.301 0.1 . 1 . . . . . 147 ARG C . 52158 1 699 . 1 . 1 155 155 ARG CA C 13 58.962 0.3 . 1 . . . . . 147 ARG CA . 52158 1 700 . 1 . 1 155 155 ARG CB C 13 30.928 0.3 . 1 . . . . . 147 ARG CB . 52158 1 701 . 1 . 1 155 155 ARG N N 15 120.127 0.15 . 1 . . . . . 147 ARG N . 52158 1 702 . 1 . 1 156 156 SER H H 1 8.441 0.02 . 1 . . . . . 148 SER H . 52158 1 703 . 1 . 1 156 156 SER C C 13 171.869 0.1 . 1 . . . . . 148 SER C . 52158 1 704 . 1 . 1 156 156 SER CA C 13 59.946 0.3 . 1 . . . . . 148 SER CA . 52158 1 705 . 1 . 1 156 156 SER CB C 13 63.928 0.3 . 1 . . . . . 148 SER CB . 52158 1 706 . 1 . 1 156 156 SER N N 15 116.432 0.15 . 1 . . . . . 148 SER N . 52158 1 707 . 1 . 1 157 157 HIS H H 1 7.709 0.02 . 1 . . . . . 149 HIS H . 52158 1 708 . 1 . 1 157 157 HIS C C 13 178.346 0.1 . 1 . . . . . 149 HIS C . 52158 1 709 . 1 . 1 157 157 HIS CA C 13 54.861 0.3 . 1 . . . . . 149 HIS CA . 52158 1 710 . 1 . 1 157 157 HIS CB C 13 30.556 0.3 . 1 . . . . . 149 HIS CB . 52158 1 711 . 1 . 1 157 157 HIS N N 15 121.170 0.15 . 1 . . . . . 149 HIS N . 52158 1 712 . 1 . 1 158 158 HIS H H 1 8.389 0.02 . 1 . . . . . 150 HIS H . 52158 1 713 . 1 . 1 158 158 HIS C C 13 177.672 0.1 . 1 . . . . . 150 HIS C . 52158 1 714 . 1 . 1 158 158 HIS CA C 13 61.913 0.3 . 1 . . . . . 150 HIS CA . 52158 1 715 . 1 . 1 158 158 HIS CB C 13 31.058 0.3 . 1 . . . . . 150 HIS CB . 52158 1 716 . 1 . 1 158 158 HIS N N 15 122.912 0.15 . 1 . . . . . 150 HIS N . 52158 1 717 . 1 . 1 159 159 ALA C C 13 177.386 0.1 . 1 . . . . . 151 ALA C . 52158 1 718 . 1 . 1 159 159 ALA CA C 13 51.807 0.3 . 1 . . . . . 151 ALA CA . 52158 1 719 . 1 . 1 159 159 ALA CB C 13 17.469 0.3 . 1 . . . . . 151 ALA CB . 52158 1 720 . 1 . 1 160 160 ALA H H 1 7.192 0.02 . 1 . . . . . 152 ALA H . 52158 1 721 . 1 . 1 160 160 ALA C C 13 178.627 0.1 . 1 . . . . . 152 ALA C . 52158 1 722 . 1 . 1 160 160 ALA CA C 13 53.613 0.3 . 1 . . . . . 152 ALA CA . 52158 1 723 . 1 . 1 160 160 ALA CB C 13 20.238 0.3 . 1 . . . . . 152 ALA CB . 52158 1 724 . 1 . 1 160 160 ALA N N 15 121.585 0.15 . 1 . . . . . 152 ALA N . 52158 1 725 . 1 . 1 161 161 ASN H H 1 8.456 0.02 . 1 . . . . . 153 ASN H . 52158 1 726 . 1 . 1 161 161 ASN C C 13 177.234 0.1 . 1 . . . . . 153 ASN C . 52158 1 727 . 1 . 1 161 161 ASN CA C 13 53.581 0.3 . 1 . . . . . 153 ASN CA . 52158 1 728 . 1 . 1 161 161 ASN CB C 13 39.487 0.3 . 1 . . . . . 153 ASN CB . 52158 1 729 . 1 . 1 161 161 ASN N N 15 118.597 0.15 . 1 . . . . . 153 ASN N . 52158 1 730 . 1 . 1 162 162 GLY H H 1 8.383 0.02 . 1 . . . . . 154 GLY H . 52158 1 731 . 1 . 1 162 162 GLY C C 13 175.137 0.1 . 1 . . . . . 154 GLY C . 52158 1 732 . 1 . 1 162 162 GLY CA C 13 46.237 0.3 . 1 . . . . . 154 GLY CA . 52158 1 733 . 1 . 1 162 162 GLY N N 15 110.623 0.15 . 1 . . . . . 154 GLY N . 52158 1 734 . 1 . 1 163 163 ILE H H 1 6.711 0.02 . 1 . . . . . 155 ILE H . 52158 1 735 . 1 . 1 163 163 ILE C C 13 176.220 0.1 . 1 . . . . . 155 ILE C . 52158 1 736 . 1 . 1 163 163 ILE CA C 13 59.933 0.3 . 1 . . . . . 155 ILE CA . 52158 1 737 . 1 . 1 163 163 ILE CB C 13 37.933 0.3 . 1 . . . . . 155 ILE CB . 52158 1 738 . 1 . 1 163 163 ILE N N 15 112.244 0.15 . 1 . . . . . 155 ILE N . 52158 1 739 . 1 . 1 164 164 SER H H 1 9.002 0.02 . 1 . . . . . 156 SER H . 52158 1 740 . 1 . 1 164 164 SER C C 13 175.722 0.1 . 1 . . . . . 156 SER C . 52158 1 741 . 1 . 1 164 164 SER CA C 13 58.359 0.3 . 1 . . . . . 156 SER CA . 52158 1 742 . 1 . 1 164 164 SER CB C 13 64.963 0.3 . 1 . . . . . 156 SER CB . 52158 1 743 . 1 . 1 164 164 SER N N 15 120.091 0.15 . 1 . . . . . 156 SER N . 52158 1 744 . 1 . 1 166 166 ASN C C 13 177.302 0.1 . 1 . . . . . 158 ASN C . 52158 1 745 . 1 . 1 166 166 ASN CA C 13 56.843 0.3 . 1 . . . . . 158 ASN CA . 52158 1 746 . 1 . 1 166 166 ASN CB C 13 38.008 0.3 . 1 . . . . . 158 ASN CB . 52158 1 747 . 1 . 1 167 167 GLU H H 1 7.466 0.02 . 1 . . . . . 159 GLU H . 52158 1 748 . 1 . 1 167 167 GLU C C 13 179.043 0.1 . 1 . . . . . 159 GLU C . 52158 1 749 . 1 . 1 167 167 GLU CA C 13 59.398 0.3 . 1 . . . . . 159 GLU CA . 52158 1 750 . 1 . 1 167 167 GLU CB C 13 28.632 0.3 . 1 . . . . . 159 GLU CB . 52158 1 751 . 1 . 1 167 167 GLU N N 15 121.089 0.15 . 1 . . . . . 159 GLU N . 52158 1 752 . 1 . 1 168 168 ALA H H 1 8.386 0.02 . 1 . . . . . 160 ALA H . 52158 1 753 . 1 . 1 168 168 ALA C C 13 181.841 0.1 . 1 . . . . . 160 ALA C . 52158 1 754 . 1 . 1 168 168 ALA CA C 13 55.815 0.3 . 1 . . . . . 160 ALA CA . 52158 1 755 . 1 . 1 168 168 ALA CB C 13 17.797 0.3 . 1 . . . . . 160 ALA CB . 52158 1 756 . 1 . 1 168 168 ALA N N 15 121.238 0.15 . 1 . . . . . 160 ALA N . 52158 1 757 . 1 . 1 169 169 GLN H H 1 8.112 0.02 . 1 . . . . . 161 GLN H . 52158 1 758 . 1 . 1 169 169 GLN C C 13 179.084 0.1 . 1 . . . . . 161 GLN C . 52158 1 759 . 1 . 1 169 169 GLN CA C 13 59.002 0.3 . 1 . . . . . 161 GLN CA . 52158 1 760 . 1 . 1 169 169 GLN CB C 13 28.083 0.3 . 1 . . . . . 161 GLN CB . 52158 1 761 . 1 . 1 169 169 GLN N N 15 119.322 0.15 . 1 . . . . . 161 GLN N . 52158 1 762 . 1 . 1 170 170 ASN H H 1 8.267 0.02 . 1 . . . . . 162 ASN H . 52158 1 763 . 1 . 1 170 170 ASN C C 13 178.097 0.1 . 1 . . . . . 162 ASN C . 52158 1 764 . 1 . 1 170 170 ASN CA C 13 56.322 0.3 . 1 . . . . . 162 ASN CA . 52158 1 765 . 1 . 1 170 170 ASN CB C 13 37.943 0.3 . 1 . . . . . 162 ASN CB . 52158 1 766 . 1 . 1 170 170 ASN N N 15 121.968 0.15 . 1 . . . . . 162 ASN N . 52158 1 767 . 1 . 1 171 171 ARG H H 1 7.906 0.02 . 1 . . . . . 163 ARG H . 52158 1 768 . 1 . 1 171 171 ARG C C 13 179.104 0.1 . 1 . . . . . 163 ARG C . 52158 1 769 . 1 . 1 171 171 ARG CA C 13 60.702 0.3 . 1 . . . . . 163 ARG CA . 52158 1 770 . 1 . 1 171 171 ARG CB C 13 30.721 0.3 . 1 . . . . . 163 ARG CB . 52158 1 771 . 1 . 1 171 171 ARG N N 15 121.203 0.15 . 1 . . . . . 163 ARG N . 52158 1 772 . 1 . 1 172 172 ARG H H 1 7.609 0.02 . 1 . . . . . 164 ARG H . 52158 1 773 . 1 . 1 172 172 ARG C C 13 180.120 0.1 . 1 . . . . . 164 ARG C . 52158 1 774 . 1 . 1 172 172 ARG CA C 13 59.542 0.3 . 1 . . . . . 164 ARG CA . 52158 1 775 . 1 . 1 172 172 ARG CB C 13 29.621 0.3 . 1 . . . . . 164 ARG CB . 52158 1 776 . 1 . 1 172 172 ARG N N 15 119.065 0.15 . 1 . . . . . 164 ARG N . 52158 1 777 . 1 . 1 173 173 ARG H H 1 8.294 0.02 . 1 . . . . . 165 ARG H . 52158 1 778 . 1 . 1 173 173 ARG C C 13 179.684 0.1 . 1 . . . . . 165 ARG C . 52158 1 779 . 1 . 1 173 173 ARG CA C 13 59.214 0.3 . 1 . . . . . 165 ARG CA . 52158 1 780 . 1 . 1 173 173 ARG CB C 13 28.977 0.3 . 1 . . . . . 165 ARG CB . 52158 1 781 . 1 . 1 173 173 ARG N N 15 122.050 0.15 . 1 . . . . . 165 ARG N . 52158 1 782 . 1 . 1 174 174 LEU H H 1 7.577 0.02 . 1 . . . . . 166 LEU H . 52158 1 783 . 1 . 1 174 174 LEU C C 13 177.481 0.1 . 1 . . . . . 166 LEU C . 52158 1 784 . 1 . 1 174 174 LEU CA C 13 58.684 0.3 . 1 . . . . . 166 LEU CA . 52158 1 785 . 1 . 1 174 174 LEU CB C 13 41.003 0.3 . 1 . . . . . 166 LEU CB . 52158 1 786 . 1 . 1 174 174 LEU N N 15 120.440 0.15 . 1 . . . . . 166 LEU N . 52158 1 787 . 1 . 1 175 175 ARG H H 1 8.509 0.02 . 1 . . . . . 167 ARG H . 52158 1 788 . 1 . 1 175 175 ARG C C 13 178.402 0.1 . 1 . . . . . 167 ARG C . 52158 1 789 . 1 . 1 175 175 ARG CA C 13 60.477 0.3 . 1 . . . . . 167 ARG CA . 52158 1 790 . 1 . 1 175 175 ARG CB C 13 29.822 0.3 . 1 . . . . . 167 ARG CB . 52158 1 791 . 1 . 1 175 175 ARG N N 15 118.955 0.15 . 1 . . . . . 167 ARG N . 52158 1 792 . 1 . 1 176 176 SER H H 1 8.339 0.02 . 1 . . . . . 168 SER H . 52158 1 793 . 1 . 1 176 176 SER C C 13 178.043 0.1 . 1 . . . . . 168 SER C . 52158 1 794 . 1 . 1 176 176 SER CA C 13 61.957 0.3 . 1 . . . . . 168 SER CA . 52158 1 795 . 1 . 1 176 176 SER CB C 13 63.047 0.3 . 1 . . . . . 168 SER CB . 52158 1 796 . 1 . 1 176 176 SER N N 15 113.235 0.15 . 1 . . . . . 168 SER N . 52158 1 797 . 1 . 1 177 177 ILE H H 1 7.795 0.02 . 1 . . . . . 169 ILE H . 52158 1 798 . 1 . 1 177 177 ILE C C 13 178.585 0.1 . 1 . . . . . 169 ILE C . 52158 1 799 . 1 . 1 177 177 ILE CA C 13 65.593 0.3 . 1 . . . . . 169 ILE CA . 52158 1 800 . 1 . 1 177 177 ILE CB C 13 38.275 0.3 . 1 . . . . . 169 ILE CB . 52158 1 801 . 1 . 1 177 177 ILE N N 15 123.443 0.15 . 1 . . . . . 169 ILE N . 52158 1 802 . 1 . 1 178 178 MET H H 1 7.766 0.02 . 1 . . . . . 170 MET H . 52158 1 803 . 1 . 1 178 178 MET C C 13 181.830 0.1 . 1 . . . . . 170 MET C . 52158 1 804 . 1 . 1 178 178 MET CA C 13 56.412 0.3 . 1 . . . . . 170 MET CA . 52158 1 805 . 1 . 1 178 178 MET CB C 13 29.219 0.3 . 1 . . . . . 170 MET CB . 52158 1 806 . 1 . 1 178 178 MET N N 15 116.950 0.15 . 1 . . . . . 170 MET N . 52158 1 807 . 1 . 1 179 179 GLU H H 1 9.423 0.02 . 1 . . . . . 171 GLU H . 52158 1 808 . 1 . 1 179 179 GLU C C 13 181.600 0.1 . 1 . . . . . 171 GLU C . 52158 1 809 . 1 . 1 179 179 GLU CA C 13 59.437 0.3 . 1 . . . . . 171 GLU CA . 52158 1 810 . 1 . 1 179 179 GLU CB C 13 28.988 0.3 . 1 . . . . . 171 GLU CB . 52158 1 811 . 1 . 1 179 179 GLU N N 15 123.792 0.15 . 1 . . . . . 171 GLU N . 52158 1 812 . 1 . 1 180 180 ASN H H 1 8.134 0.02 . 1 . . . . . 172 ASN H . 52158 1 813 . 1 . 1 180 180 ASN C C 13 176.251 0.1 . 1 . . . . . 172 ASN C . 52158 1 814 . 1 . 1 180 180 ASN CA C 13 55.670 0.3 . 1 . . . . . 172 ASN CA . 52158 1 815 . 1 . 1 180 180 ASN CB C 13 38.937 0.3 . 1 . . . . . 172 ASN CB . 52158 1 816 . 1 . 1 180 180 ASN N N 15 116.915 0.15 . 1 . . . . . 172 ASN N . 52158 1 817 . 1 . 1 181 181 SER H H 1 7.645 0.02 . 1 . . . . . 173 SER H . 52158 1 818 . 1 . 1 181 181 SER C C 13 173.514 0.1 . 1 . . . . . 173 SER C . 52158 1 819 . 1 . 1 181 181 SER CA C 13 58.874 0.3 . 1 . . . . . 173 SER CA . 52158 1 820 . 1 . 1 181 181 SER CB C 13 64.026 0.3 . 1 . . . . . 173 SER CB . 52158 1 821 . 1 . 1 181 181 SER N N 15 114.408 0.15 . 1 . . . . . 173 SER N . 52158 1 822 . 1 . 1 182 182 GLY H H 1 7.463 0.02 . 1 . . . . . 174 GLY H . 52158 1 823 . 1 . 1 182 182 GLY C C 13 174.868 0.1 . 1 . . . . . 174 GLY C . 52158 1 824 . 1 . 1 182 182 GLY CA C 13 45.002 0.3 . 1 . . . . . 174 GLY CA . 52158 1 825 . 1 . 1 182 182 GLY N N 15 104.003 0.15 . 1 . . . . . 174 GLY N . 52158 1 826 . 1 . 1 183 183 PHE H H 1 8.120 0.02 . 1 . . . . . 175 PHE H . 52158 1 827 . 1 . 1 183 183 PHE C C 13 175.080 0.1 . 1 . . . . . 175 PHE C . 52158 1 828 . 1 . 1 183 183 PHE CA C 13 57.722 0.3 . 1 . . . . . 175 PHE CA . 52158 1 829 . 1 . 1 183 183 PHE CB C 13 41.376 0.3 . 1 . . . . . 175 PHE CB . 52158 1 830 . 1 . 1 183 183 PHE N N 15 118.208 0.15 . 1 . . . . . 175 PHE N . 52158 1 831 . 1 . 1 184 184 GLU H H 1 9.675 0.02 . 1 . . . . . 176 GLU H . 52158 1 832 . 1 . 1 184 184 GLU C C 13 176.420 0.1 . 1 . . . . . 176 GLU C . 52158 1 833 . 1 . 1 184 184 GLU CA C 13 55.174 0.3 . 1 . . . . . 176 GLU CA . 52158 1 834 . 1 . 1 184 184 GLU CB C 13 32.481 0.3 . 1 . . . . . 176 GLU CB . 52158 1 835 . 1 . 1 184 184 GLU N N 15 119.897 0.15 . 1 . . . . . 176 GLU N . 52158 1 836 . 1 . 1 185 185 ALA H H 1 9.103 0.02 . 1 . . . . . 177 ALA H . 52158 1 837 . 1 . 1 185 185 ALA C C 13 176.557 0.1 . 1 . . . . . 177 ALA C . 52158 1 838 . 1 . 1 185 185 ALA CA C 13 51.097 0.3 . 1 . . . . . 177 ALA CA . 52158 1 839 . 1 . 1 185 185 ALA CB C 13 21.097 0.3 . 1 . . . . . 177 ALA CB . 52158 1 840 . 1 . 1 185 185 ALA N N 15 126.707 0.15 . 1 . . . . . 177 ALA N . 52158 1 841 . 1 . 1 186 186 TYR H H 1 9.205 0.02 . 1 . . . . . 178 TYR H . 52158 1 842 . 1 . 1 186 186 TYR C C 13 176.624 0.1 . 1 . . . . . 178 TYR C . 52158 1 843 . 1 . 1 186 186 TYR CA C 13 54.835 0.3 . 1 . . . . . 178 TYR CA . 52158 1 844 . 1 . 1 186 186 TYR CB C 13 41.642 0.3 . 1 . . . . . 178 TYR CB . 52158 1 845 . 1 . 1 186 186 TYR N N 15 122.041 0.15 . 1 . . . . . 178 TYR N . 52158 1 846 . 1 . 1 189 189 GLU H H 1 6.394 0.02 . 1 . . . . . 181 GLU H . 52158 1 847 . 1 . 1 189 189 GLU C C 13 176.858 0.1 . 1 . . . . . 181 GLU C . 52158 1 848 . 1 . 1 189 189 GLU CA C 13 53.783 0.3 . 1 . . . . . 181 GLU CA . 52158 1 849 . 1 . 1 189 189 GLU CB C 13 32.490 0.3 . 1 . . . . . 181 GLU CB . 52158 1 850 . 1 . 1 189 189 GLU N N 15 112.357 0.15 . 1 . . . . . 181 GLU N . 52158 1 851 . 1 . 1 190 190 TRP H H 1 7.274 0.02 . 1 . . . . . 182 TRP H . 52158 1 852 . 1 . 1 190 190 TRP C C 13 174.822 0.1 . 1 . . . . . 182 TRP C . 52158 1 853 . 1 . 1 190 190 TRP CA C 13 58.501 0.3 . 1 . . . . . 182 TRP CA . 52158 1 854 . 1 . 1 190 190 TRP CB C 13 28.855 0.3 . 1 . . . . . 182 TRP CB . 52158 1 855 . 1 . 1 190 190 TRP N N 15 121.524 0.15 . 1 . . . . . 182 TRP N . 52158 1 856 . 1 . 1 191 191 TRP H H 1 5.454 0.02 . 1 . . . . . 183 TRP H . 52158 1 857 . 1 . 1 191 191 TRP C C 13 175.313 0.1 . 1 . . . . . 183 TRP C . 52158 1 858 . 1 . 1 191 191 TRP CA C 13 58.805 0.3 . 1 . . . . . 183 TRP CA . 52158 1 859 . 1 . 1 191 191 TRP N N 15 115.229 0.15 . 1 . . . . . 183 TRP N . 52158 1 860 . 1 . 1 192 192 HIS H H 1 6.245 0.02 . 1 . . . . . 184 HIS H . 52158 1 861 . 1 . 1 192 192 HIS C C 13 174.250 0.1 . 1 . . . . . 184 HIS C . 52158 1 862 . 1 . 1 192 192 HIS CA C 13 57.318 0.3 . 1 . . . . . 184 HIS CA . 52158 1 863 . 1 . 1 192 192 HIS CB C 13 34.279 0.3 . 1 . . . . . 184 HIS CB . 52158 1 864 . 1 . 1 192 192 HIS N N 15 121.449 0.15 . 1 . . . . . 184 HIS N . 52158 1 865 . 1 . 1 193 193 TYR H H 1 8.552 0.02 . 1 . . . . . 185 TYR H . 52158 1 866 . 1 . 1 193 193 TYR C C 13 173.961 0.1 . 1 . . . . . 185 TYR C . 52158 1 867 . 1 . 1 193 193 TYR CA C 13 57.294 0.3 . 1 . . . . . 185 TYR CA . 52158 1 868 . 1 . 1 193 193 TYR CB C 13 42.932 0.3 . 1 . . . . . 185 TYR CB . 52158 1 869 . 1 . 1 193 193 TYR N N 15 124.521 0.15 . 1 . . . . . 185 TYR N . 52158 1 870 . 1 . 1 194 194 VAL H H 1 8.465 0.02 . 1 . . . . . 186 VAL H . 52158 1 871 . 1 . 1 194 194 VAL C C 13 175.108 0.1 . 1 . . . . . 186 VAL C . 52158 1 872 . 1 . 1 194 194 VAL CA C 13 59.843 0.3 . 1 . . . . . 186 VAL CA . 52158 1 873 . 1 . 1 194 194 VAL CB C 13 35.501 0.3 . 1 . . . . . 186 VAL CB . 52158 1 874 . 1 . 1 194 194 VAL N N 15 119.314 0.15 . 1 . . . . . 186 VAL N . 52158 1 875 . 1 . 1 195 195 LEU H H 1 8.195 0.02 . 1 . . . . . 187 LEU H . 52158 1 876 . 1 . 1 195 195 LEU C C 13 177.101 0.1 . 1 . . . . . 187 LEU C . 52158 1 877 . 1 . 1 195 195 LEU CA C 13 56.401 0.3 . 1 . . . . . 187 LEU CA . 52158 1 878 . 1 . 1 195 195 LEU CB C 13 43.118 0.3 . 1 . . . . . 187 LEU CB . 52158 1 879 . 1 . 1 195 195 LEU N N 15 128.975 0.15 . 1 . . . . . 187 LEU N . 52158 1 880 . 1 . 1 196 196 ARG H H 1 8.138 0.02 . 1 . . . . . 188 ARG H . 52158 1 881 . 1 . 1 196 196 ARG C C 13 177.117 0.1 . 1 . . . . . 188 ARG C . 52158 1 882 . 1 . 1 196 196 ARG CA C 13 58.847 0.3 . 1 . . . . . 188 ARG CA . 52158 1 883 . 1 . 1 196 196 ARG CB C 13 30.068 0.3 . 1 . . . . . 188 ARG CB . 52158 1 884 . 1 . 1 196 196 ARG N N 15 123.957 0.15 . 1 . . . . . 188 ARG N . 52158 1 885 . 1 . 1 197 197 ASP H H 1 8.347 0.02 . 1 . . . . . 189 ASP H . 52158 1 886 . 1 . 1 197 197 ASP C C 13 175.601 0.1 . 1 . . . . . 189 ASP C . 52158 1 887 . 1 . 1 197 197 ASP CA C 13 53.520 0.3 . 1 . . . . . 189 ASP CA . 52158 1 888 . 1 . 1 197 197 ASP CB C 13 39.600 0.3 . 1 . . . . . 189 ASP CB . 52158 1 889 . 1 . 1 197 197 ASP N N 15 119.814 0.15 . 1 . . . . . 189 ASP N . 52158 1 890 . 1 . 1 198 198 GLU H H 1 7.474 0.02 . 1 . . . . . 190 GLU H . 52158 1 891 . 1 . 1 198 198 GLU C C 13 174.731 0.1 . 1 . . . . . 190 GLU C . 52158 1 892 . 1 . 1 198 198 GLU CA C 13 54.014 0.3 . 1 . . . . . 190 GLU CA . 52158 1 893 . 1 . 1 198 198 GLU CB C 13 29.385 0.3 . 1 . . . . . 190 GLU CB . 52158 1 894 . 1 . 1 198 198 GLU N N 15 118.240 0.15 . 1 . . . . . 190 GLU N . 52158 1 895 . 1 . 1 199 199 PRO C C 13 177.058 0.1 . 1 . . . . . 191 PRO C . 52158 1 896 . 1 . 1 199 199 PRO CB C 13 30.408 0.3 . 1 . . . . . 191 PRO CB . 52158 1 897 . 1 . 1 200 200 TYR H H 1 7.271 0.02 . 1 . . . . . 192 TYR H . 52158 1 898 . 1 . 1 200 200 TYR CA C 13 53.768 0.3 . 1 . . . . . 192 TYR CA . 52158 1 899 . 1 . 1 200 200 TYR CB C 13 37.497 0.3 . 1 . . . . . 192 TYR CB . 52158 1 900 . 1 . 1 200 200 TYR N N 15 115.312 0.15 . 1 . . . . . 192 TYR N . 52158 1 901 . 1 . 1 201 201 PRO C C 13 176.628 0.1 . 1 . . . . . 193 PRO C . 52158 1 902 . 1 . 1 201 201 PRO CA C 13 64.909 0.3 . 1 . . . . . 193 PRO CA . 52158 1 903 . 1 . 1 201 201 PRO CB C 13 31.922 0.3 . 1 . . . . . 193 PRO CB . 52158 1 904 . 1 . 1 202 202 ASN H H 1 8.534 0.02 . 1 . . . . . 194 ASN H . 52158 1 905 . 1 . 1 202 202 ASN C C 13 174.964 0.1 . 1 . . . . . 194 ASN C . 52158 1 906 . 1 . 1 202 202 ASN CA C 13 52.569 0.3 . 1 . . . . . 194 ASN CA . 52158 1 907 . 1 . 1 202 202 ASN CB C 13 40.714 0.3 . 1 . . . . . 194 ASN CB . 52158 1 908 . 1 . 1 202 202 ASN N N 15 114.901 0.15 . 1 . . . . . 194 ASN N . 52158 1 909 . 1 . 1 203 203 SER H H 1 6.710 0.02 . 1 . . . . . 195 SER H . 52158 1 910 . 1 . 1 203 203 SER C C 13 168.903 0.1 . 1 . . . . . 195 SER C . 52158 1 911 . 1 . 1 203 203 SER CA C 13 57.864 0.3 . 1 . . . . . 195 SER CA . 52158 1 912 . 1 . 1 203 203 SER CB C 13 65.151 0.3 . 1 . . . . . 195 SER CB . 52158 1 913 . 1 . 1 203 203 SER N N 15 116.638 0.15 . 1 . . . . . 195 SER N . 52158 1 914 . 1 . 1 204 204 TYR H H 1 7.841 0.02 . 1 . . . . . 196 TYR H . 52158 1 915 . 1 . 1 204 204 TYR C C 13 175.859 0.1 . 1 . . . . . 196 TYR C . 52158 1 916 . 1 . 1 204 204 TYR CA C 13 56.729 0.3 . 1 . . . . . 196 TYR CA . 52158 1 917 . 1 . 1 204 204 TYR CB C 13 39.001 0.3 . 1 . . . . . 196 TYR CB . 52158 1 918 . 1 . 1 204 204 TYR N N 15 120.146 0.15 . 1 . . . . . 196 TYR N . 52158 1 919 . 1 . 1 205 205 PHE H H 1 8.179 0.02 . 1 . . . . . 197 PHE H . 52158 1 920 . 1 . 1 205 205 PHE C C 13 175.198 0.1 . 1 . . . . . 197 PHE C . 52158 1 921 . 1 . 1 205 205 PHE CA C 13 59.218 0.3 . 1 . . . . . 197 PHE CA . 52158 1 922 . 1 . 1 205 205 PHE CB C 13 41.099 0.3 . 1 . . . . . 197 PHE CB . 52158 1 923 . 1 . 1 205 205 PHE N N 15 123.025 0.15 . 1 . . . . . 197 PHE N . 52158 1 924 . 1 . 1 206 206 ASP H H 1 9.039 0.02 . 1 . . . . . 198 ASP H . 52158 1 925 . 1 . 1 206 206 ASP C C 13 176.130 0.1 . 1 . . . . . 198 ASP C . 52158 1 926 . 1 . 1 206 206 ASP CA C 13 53.783 0.3 . 1 . . . . . 198 ASP CA . 52158 1 927 . 1 . 1 206 206 ASP CB C 13 43.859 0.3 . 1 . . . . . 198 ASP CB . 52158 1 928 . 1 . 1 206 206 ASP N N 15 116.785 0.15 . 1 . . . . . 198 ASP N . 52158 1 929 . 1 . 1 207 207 PHE H H 1 6.832 0.02 . 1 . . . . . 199 PHE H . 52158 1 930 . 1 . 1 207 207 PHE C C 13 174.990 0.1 . 1 . . . . . 199 PHE C . 52158 1 931 . 1 . 1 207 207 PHE CA C 13 54.105 0.3 . 1 . . . . . 199 PHE CA . 52158 1 932 . 1 . 1 207 207 PHE CB C 13 37.111 0.3 . 1 . . . . . 199 PHE CB . 52158 1 933 . 1 . 1 207 207 PHE N N 15 117.955 0.15 . 1 . . . . . 199 PHE N . 52158 1 934 . 1 . 1 208 208 PRO C C 13 176.031 0.1 . 1 . . . . . 200 PRO C . 52158 1 935 . 1 . 1 208 208 PRO CA C 13 63.056 0.3 . 1 . . . . . 200 PRO CA . 52158 1 936 . 1 . 1 208 208 PRO CB C 13 31.888 0.3 . 1 . . . . . 200 PRO CB . 52158 1 937 . 1 . 1 209 209 VAL H H 1 8.696 0.02 . 1 . . . . . 201 VAL H . 52158 1 938 . 1 . 1 209 209 VAL C C 13 173.524 0.1 . 1 . . . . . 201 VAL C . 52158 1 939 . 1 . 1 209 209 VAL CA C 13 64.103 0.3 . 1 . . . . . 201 VAL CA . 52158 1 940 . 1 . 1 209 209 VAL CB C 13 30.073 0.3 . 1 . . . . . 201 VAL CB . 52158 1 941 . 1 . 1 209 209 VAL N N 15 122.583 0.15 . 1 . . . . . 201 VAL N . 52158 1 942 . 1 . 1 210 210 LYS H H 1 7.385 0.02 . 1 . . . . . 202 LYS H . 52158 1 943 . 1 . 1 210 210 LYS C C 13 178.984 0.1 . 1 . . . . . 202 LYS C . 52158 1 944 . 1 . 1 210 210 LYS CA C 13 58.489 0.3 . 1 . . . . . 202 LYS CA . 52158 1 945 . 1 . 1 210 210 LYS CB C 13 34.231 0.3 . 1 . . . . . 202 LYS CB . 52158 1 946 . 1 . 1 210 210 LYS N N 15 132.079 0.15 . 1 . . . . . 202 LYS N . 52158 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 52158 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name VanX_assign_pH4.txt _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-15N TROSY' . . . 52158 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52158 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY C C 13 170.148 0.1 . 1 . . . . . -7 GLY C . 52158 2 2 . 1 . 1 1 1 GLY CA C 13 42.873 0.3 . 1 . . . . . -7 GLY CA . 52158 2 3 . 1 . 1 4 4 MET H H 1 8.406 0.02 . 1 . . . . . -4 MET H . 52158 2 4 . 1 . 1 4 4 MET C C 13 176.549 0.1 . 1 . . . . . -4 MET C . 52158 2 5 . 1 . 1 4 4 MET CA C 13 55.09 0.3 . 1 . . . . . -4 MET CA . 52158 2 6 . 1 . 1 4 4 MET CB C 13 32.123 0.3 . 1 . . . . . -4 MET CB . 52158 2 7 . 1 . 1 4 4 MET N N 15 122.512 0.15 . 1 . . . . . -4 MET N . 52158 2 8 . 1 . 1 5 5 GLY H H 1 8.436 0.02 . 1 . . . . . -3 GLY H . 52158 2 9 . 1 . 1 5 5 GLY C C 13 174.969 0.1 . 1 . . . . . -3 GLY C . 52158 2 10 . 1 . 1 5 5 GLY CA C 13 44.855 0.3 . 1 . . . . . -3 GLY CA . 52158 2 11 . 1 . 1 5 5 GLY N N 15 110.965 0.15 . 1 . . . . . -3 GLY N . 52158 2 12 . 1 . 1 6 6 GLY H H 1 8.277 0.02 . 1 . . . . . -2 GLY H . 52158 2 13 . 1 . 1 6 6 GLY C C 13 174.791 0.1 . 1 . . . . . -2 GLY C . 52158 2 14 . 1 . 1 6 6 GLY CA C 13 46.022 0.3 . 1 . . . . . -2 GLY CA . 52158 2 15 . 1 . 1 6 6 GLY N N 15 109.293 0.15 . 1 . . . . . -2 GLY N . 52158 2 16 . 1 . 1 7 7 SER H H 1 8.323 0.02 . 1 . . . . . -1 SER H . 52158 2 17 . 1 . 1 7 7 SER C C 13 175.377 0.1 . 1 . . . . . -1 SER C . 52158 2 18 . 1 . 1 7 7 SER CA C 13 59.202 0.3 . 1 . . . . . -1 SER CA . 52158 2 19 . 1 . 1 7 7 SER CB C 13 63.906 0.3 . 1 . . . . . -1 SER CB . 52158 2 20 . 1 . 1 7 7 SER N N 15 116.041 0.15 . 1 . . . . . -1 SER N . 52158 2 21 . 1 . 1 8 8 GLY H H 1 8.318 0.02 . 1 . . . . . 0 GLY H . 52158 2 22 . 1 . 1 8 8 GLY C C 13 173.444 0.1 . 1 . . . . . 0 GLY C . 52158 2 23 . 1 . 1 8 8 GLY CA C 13 45.767 0.3 . 1 . . . . . 0 GLY CA . 52158 2 24 . 1 . 1 8 8 GLY N N 15 111.354 0.15 . 1 . . . . . 0 GLY N . 52158 2 25 . 1 . 1 9 9 MET H H 1 7.763 0.02 . 1 . . . . . 1 MET H . 52158 2 26 . 1 . 1 9 9 MET C C 13 175.312 0.1 . 1 . . . . . 1 MET C . 52158 2 27 . 1 . 1 9 9 MET CA C 13 54.667 0.3 . 1 . . . . . 1 MET CA . 52158 2 28 . 1 . 1 9 9 MET CB C 13 31.902 0.3 . 1 . . . . . 1 MET CB . 52158 2 29 . 1 . 1 9 9 MET N N 15 120.463 0.15 . 1 . . . . . 1 MET N . 52158 2 30 . 1 . 1 10 10 GLU C C 13 176.875 0.1 . 1 . . . . . 2 GLU C . 52158 2 31 . 1 . 1 11 11 ILE H H 1 7.938 0.02 . 1 . . . . . 3 ILE H . 52158 2 32 . 1 . 1 11 11 ILE C C 13 177.045 0.1 . 1 . . . . . 3 ILE C . 52158 2 33 . 1 . 1 11 11 ILE CA C 13 63.57 0.3 . 1 . . . . . 3 ILE CA . 52158 2 34 . 1 . 1 11 11 ILE CB C 13 37.454 0.3 . 1 . . . . . 3 ILE CB . 52158 2 35 . 1 . 1 11 11 ILE N N 15 121.532 0.15 . 1 . . . . . 3 ILE N . 52158 2 36 . 1 . 1 12 12 GLY H H 1 8.504 0.02 . 1 . . . . . 4 GLY H . 52158 2 37 . 1 . 1 12 12 GLY C C 13 174.656 0.1 . 1 . . . . . 4 GLY C . 52158 2 38 . 1 . 1 12 12 GLY CA C 13 45.516 0.3 . 1 . . . . . 4 GLY CA . 52158 2 39 . 1 . 1 12 12 GLY N N 15 112.217 0.15 . 1 . . . . . 4 GLY N . 52158 2 40 . 1 . 1 13 13 PHE H H 1 7.772 0.02 . 1 . . . . . 5 PHE H . 52158 2 41 . 1 . 1 13 13 PHE C C 13 173.697 0.1 . 1 . . . . . 5 PHE C . 52158 2 42 . 1 . 1 13 13 PHE CA C 13 57.539 0.3 . 1 . . . . . 5 PHE CA . 52158 2 43 . 1 . 1 13 13 PHE CB C 13 41.999 0.3 . 1 . . . . . 5 PHE CB . 52158 2 44 . 1 . 1 13 13 PHE N N 15 120.457 0.15 . 1 . . . . . 5 PHE N . 52158 2 45 . 1 . 1 14 14 THR H H 1 8.606 0.02 . 1 . . . . . 6 THR H . 52158 2 46 . 1 . 1 14 14 THR C C 13 174.019 0.1 . 1 . . . . . 6 THR C . 52158 2 47 . 1 . 1 14 14 THR CA C 13 60.078 0.3 . 1 . . . . . 6 THR CA . 52158 2 48 . 1 . 1 14 14 THR CB C 13 70.436 0.3 . 1 . . . . . 6 THR CB . 52158 2 49 . 1 . 1 14 14 THR N N 15 112.132 0.15 . 1 . . . . . 6 THR N . 52158 2 50 . 1 . 1 15 15 PHE H H 1 8.264 0.02 . 1 . . . . . 7 PHE H . 52158 2 51 . 1 . 1 15 15 PHE C C 13 181.087 0.1 . 1 . . . . . 7 PHE C . 52158 2 52 . 1 . 1 15 15 PHE CA C 13 59.373 0.3 . 1 . . . . . 7 PHE CA . 52158 2 53 . 1 . 1 15 15 PHE CB C 13 38.516 0.3 . 1 . . . . . 7 PHE CB . 52158 2 54 . 1 . 1 15 15 PHE N N 15 124.466 0.15 . 1 . . . . . 7 PHE N . 52158 2 55 . 1 . 1 16 16 LEU H H 1 9.683 0.02 . 1 . . . . . 8 LEU H . 52158 2 56 . 1 . 1 16 16 LEU C C 13 178.528 0.1 . 1 . . . . . 8 LEU C . 52158 2 57 . 1 . 1 16 16 LEU CA C 13 58.848 0.3 . 1 . . . . . 8 LEU CA . 52158 2 58 . 1 . 1 16 16 LEU CB C 13 40.906 0.3 . 1 . . . . . 8 LEU CB . 52158 2 59 . 1 . 1 16 16 LEU N N 15 126.242 0.15 . 1 . . . . . 8 LEU N . 52158 2 60 . 1 . 1 17 17 ASP H H 1 7.794 0.02 . 1 . . . . . 9 ASP H . 52158 2 61 . 1 . 1 17 17 ASP C C 13 174.861 0.1 . 1 . . . . . 9 ASP C . 52158 2 62 . 1 . 1 17 17 ASP CA C 13 55.707 0.3 . 1 . . . . . 9 ASP CA . 52158 2 63 . 1 . 1 17 17 ASP CB C 13 42.023 0.3 . 1 . . . . . 9 ASP CB . 52158 2 64 . 1 . 1 17 17 ASP N N 15 113.572 0.15 . 1 . . . . . 9 ASP N . 52158 2 65 . 1 . 1 18 18 GLU H H 1 6.852 0.02 . 1 . . . . . 10 GLU H . 52158 2 66 . 1 . 1 18 18 GLU C C 13 176.558 0.1 . 1 . . . . . 10 GLU C . 52158 2 67 . 1 . 1 18 18 GLU CA C 13 58.437 0.3 . 1 . . . . . 10 GLU CA . 52158 2 68 . 1 . 1 18 18 GLU N N 15 115.448 0.15 . 1 . . . . . 10 GLU N . 52158 2 69 . 1 . 1 19 19 ILE H H 1 6.776 0.02 . 1 . . . . . 11 ILE H . 52158 2 70 . 1 . 1 19 19 ILE C C 13 174.955 0.1 . 1 . . . . . 11 ILE C . 52158 2 71 . 1 . 1 19 19 ILE CA C 13 61.308 0.3 . 1 . . . . . 11 ILE CA . 52158 2 72 . 1 . 1 19 19 ILE CB C 13 40.058 0.3 . 1 . . . . . 11 ILE CB . 52158 2 73 . 1 . 1 19 19 ILE N N 15 115.303 0.15 . 1 . . . . . 11 ILE N . 52158 2 74 . 1 . 1 20 20 VAL H H 1 8.422 0.02 . 1 . . . . . 12 VAL H . 52158 2 75 . 1 . 1 20 20 VAL C C 13 174.266 0.1 . 1 . . . . . 12 VAL C . 52158 2 76 . 1 . 1 20 20 VAL CA C 13 61.165 0.3 . 1 . . . . . 12 VAL CA . 52158 2 77 . 1 . 1 20 20 VAL CB C 13 29.272 0.3 . 1 . . . . . 12 VAL CB . 52158 2 78 . 1 . 1 20 20 VAL N N 15 121.573 0.15 . 1 . . . . . 12 VAL N . 52158 2 79 . 1 . 1 21 21 HIS H H 1 7.716 0.02 . 1 . . . . . 13 HIS H . 52158 2 80 . 1 . 1 21 21 HIS C C 13 176.39 0.1 . 1 . . . . . 13 HIS C . 52158 2 81 . 1 . 1 21 21 HIS CA C 13 56.016 0.3 . 1 . . . . . 13 HIS CA . 52158 2 82 . 1 . 1 21 21 HIS CB C 13 28.636 0.3 . 1 . . . . . 13 HIS CB . 52158 2 83 . 1 . 1 21 21 HIS N N 15 121.608 0.15 . 1 . . . . . 13 HIS N . 52158 2 84 . 1 . 1 22 22 GLY H H 1 9.079 0.02 . 1 . . . . . 14 GLY H . 52158 2 85 . 1 . 1 22 22 GLY C C 13 175.827 0.1 . 1 . . . . . 14 GLY C . 52158 2 86 . 1 . 1 22 22 GLY CA C 13 47.078 0.3 . 1 . . . . . 14 GLY CA . 52158 2 87 . 1 . 1 22 22 GLY N N 15 110.314 0.15 . 1 . . . . . 14 GLY N . 52158 2 88 . 1 . 1 23 23 VAL H H 1 7.422 0.02 . 1 . . . . . 15 VAL H . 52158 2 89 . 1 . 1 23 23 VAL C C 13 175.825 0.1 . 1 . . . . . 15 VAL C . 52158 2 90 . 1 . 1 23 23 VAL CA C 13 61.395 0.3 . 1 . . . . . 15 VAL CA . 52158 2 91 . 1 . 1 23 23 VAL CB C 13 33.014 0.3 . 1 . . . . . 15 VAL CB . 52158 2 92 . 1 . 1 23 23 VAL N N 15 114.881 0.15 . 1 . . . . . 15 VAL N . 52158 2 93 . 1 . 1 24 24 ARG H H 1 8.318 0.02 . 1 . . . . . 16 ARG H . 52158 2 94 . 1 . 1 24 24 ARG C C 13 176.279 0.1 . 1 . . . . . 16 ARG C . 52158 2 95 . 1 . 1 24 24 ARG CA C 13 55.938 0.3 . 1 . . . . . 16 ARG CA . 52158 2 96 . 1 . 1 24 24 ARG CB C 13 31.911 0.3 . 1 . . . . . 16 ARG CB . 52158 2 97 . 1 . 1 24 24 ARG N N 15 123.185 0.15 . 1 . . . . . 16 ARG N . 52158 2 98 . 1 . 1 25 25 TRP H H 1 7.811 0.02 . 1 . . . . . 17 TRP H . 52158 2 99 . 1 . 1 25 25 TRP C C 13 174.376 0.1 . 1 . . . . . 17 TRP C . 52158 2 100 . 1 . 1 25 25 TRP CA C 13 58.42 0.3 . 1 . . . . . 17 TRP CA . 52158 2 101 . 1 . 1 25 25 TRP CB C 13 33.304 0.3 . 1 . . . . . 17 TRP CB . 52158 2 102 . 1 . 1 25 25 TRP N N 15 115.489 0.15 . 1 . . . . . 17 TRP N . 52158 2 103 . 1 . 1 26 26 ASP H H 1 8.248 0.02 . 1 . . . . . 18 ASP H . 52158 2 104 . 1 . 1 26 26 ASP C C 13 175.107 0.1 . 1 . . . . . 18 ASP C . 52158 2 105 . 1 . 1 26 26 ASP CA C 13 54.755 0.3 . 1 . . . . . 18 ASP CA . 52158 2 106 . 1 . 1 26 26 ASP CB C 13 41.584 0.3 . 1 . . . . . 18 ASP CB . 52158 2 107 . 1 . 1 26 26 ASP N N 15 121.786 0.15 . 1 . . . . . 18 ASP N . 52158 2 108 . 1 . 1 27 27 ALA H H 1 8.411 0.02 . 1 . . . . . 19 ALA H . 52158 2 109 . 1 . 1 27 27 ALA C C 13 177.37 0.1 . 1 . . . . . 19 ALA C . 52158 2 110 . 1 . 1 27 27 ALA CA C 13 51.86 0.3 . 1 . . . . . 19 ALA CA . 52158 2 111 . 1 . 1 27 27 ALA CB C 13 17.079 0.3 . 1 . . . . . 19 ALA CB . 52158 2 112 . 1 . 1 27 27 ALA N N 15 124.411 0.15 . 1 . . . . . 19 ALA N . 52158 2 113 . 1 . 1 28 28 LYS H H 1 7.673 0.02 . 1 . . . . . 20 LYS H . 52158 2 114 . 1 . 1 28 28 LYS C C 13 180.197 0.1 . 1 . . . . . 20 LYS C . 52158 2 115 . 1 . 1 28 28 LYS CA C 13 57.015 0.3 . 1 . . . . . 20 LYS CA . 52158 2 116 . 1 . 1 28 28 LYS CB C 13 30.605 0.3 . 1 . . . . . 20 LYS CB . 52158 2 117 . 1 . 1 28 28 LYS N N 15 123.104 0.15 . 1 . . . . . 20 LYS N . 52158 2 118 . 1 . 1 29 29 TYR H H 1 7.335 0.02 . 1 . . . . . 21 TYR H . 52158 2 119 . 1 . 1 29 29 TYR C C 13 174.152 0.1 . 1 . . . . . 21 TYR C . 52158 2 120 . 1 . 1 29 29 TYR CA C 13 57.343 0.3 . 1 . . . . . 21 TYR CA . 52158 2 121 . 1 . 1 29 29 TYR CB C 13 33.711 0.3 . 1 . . . . . 21 TYR CB . 52158 2 122 . 1 . 1 29 29 TYR N N 15 114.96 0.15 . 1 . . . . . 21 TYR N . 52158 2 123 . 1 . 1 30 30 ALA H H 1 7.789 0.02 . 1 . . . . . 22 ALA H . 52158 2 124 . 1 . 1 30 30 ALA C C 13 176.738 0.1 . 1 . . . . . 22 ALA C . 52158 2 125 . 1 . 1 30 30 ALA CA C 13 51.818 0.3 . 1 . . . . . 22 ALA CA . 52158 2 126 . 1 . 1 30 30 ALA CB C 13 19.497 0.3 . 1 . . . . . 22 ALA CB . 52158 2 127 . 1 . 1 30 30 ALA N N 15 119.49 0.15 . 1 . . . . . 22 ALA N . 52158 2 128 . 1 . 1 31 31 THR H H 1 7.055 0.02 . 1 . . . . . 23 THR H . 52158 2 129 . 1 . 1 31 31 THR C C 13 170.661 0.1 . 1 . . . . . 23 THR C . 52158 2 130 . 1 . 1 31 31 THR CA C 13 60.666 0.3 . 1 . . . . . 23 THR CA . 52158 2 131 . 1 . 1 31 31 THR CB C 13 71.249 0.3 . 1 . . . . . 23 THR CB . 52158 2 132 . 1 . 1 31 31 THR N N 15 110.815 0.15 . 1 . . . . . 23 THR N . 52158 2 133 . 1 . 1 32 32 TRP H H 1 8.032 0.02 . 1 . . . . . 24 TRP H . 52158 2 134 . 1 . 1 32 32 TRP C C 13 175.998 0.1 . 1 . . . . . 24 TRP C . 52158 2 135 . 1 . 1 32 32 TRP CA C 13 61.157 0.3 . 1 . . . . . 24 TRP CA . 52158 2 136 . 1 . 1 32 32 TRP CB C 13 30.096 0.3 . 1 . . . . . 24 TRP CB . 52158 2 137 . 1 . 1 32 32 TRP N N 15 117.705 0.15 . 1 . . . . . 24 TRP N . 52158 2 138 . 1 . 1 33 33 ASP H H 1 7.756 0.02 . 1 . . . . . 25 ASP H . 52158 2 139 . 1 . 1 33 33 ASP C C 13 174.179 0.1 . 1 . . . . . 25 ASP C . 52158 2 140 . 1 . 1 33 33 ASP CA C 13 53.379 0.3 . 1 . . . . . 25 ASP CA . 52158 2 141 . 1 . 1 33 33 ASP CB C 13 39.962 0.3 . 1 . . . . . 25 ASP CB . 52158 2 142 . 1 . 1 33 33 ASP N N 15 122.814 0.15 . 1 . . . . . 25 ASP N . 52158 2 143 . 1 . 1 34 34 ASN H H 1 7.496 0.02 . 1 . . . . . 26 ASN H . 52158 2 144 . 1 . 1 34 34 ASN C C 13 176.481 0.1 . 1 . . . . . 26 ASN C . 52158 2 145 . 1 . 1 34 34 ASN CA C 13 53.001 0.3 . 1 . . . . . 26 ASN CA . 52158 2 146 . 1 . 1 34 34 ASN CB C 13 41.464 0.3 . 1 . . . . . 26 ASN CB . 52158 2 147 . 1 . 1 34 34 ASN N N 15 112.89 0.15 . 1 . . . . . 26 ASN N . 52158 2 148 . 1 . 1 35 35 PHE H H 1 7.505 0.02 . 1 . . . . . 27 PHE H . 52158 2 149 . 1 . 1 35 35 PHE C C 13 175.037 0.1 . 1 . . . . . 27 PHE C . 52158 2 150 . 1 . 1 35 35 PHE CA C 13 61.02 0.3 . 1 . . . . . 27 PHE CA . 52158 2 151 . 1 . 1 35 35 PHE CB C 13 37.273 0.3 . 1 . . . . . 27 PHE CB . 52158 2 152 . 1 . 1 35 35 PHE N N 15 116.848 0.15 . 1 . . . . . 27 PHE N . 52158 2 153 . 1 . 1 36 36 THR H H 1 7.807 0.02 . 1 . . . . . 28 THR H . 52158 2 154 . 1 . 1 36 36 THR C C 13 176.304 0.1 . 1 . . . . . 28 THR C . 52158 2 155 . 1 . 1 36 36 THR CA C 13 63.147 0.3 . 1 . . . . . 28 THR CA . 52158 2 156 . 1 . 1 36 36 THR CB C 13 69.569 0.3 . 1 . . . . . 28 THR CB . 52158 2 157 . 1 . 1 36 36 THR N N 15 112.736 0.15 . 1 . . . . . 28 THR N . 52158 2 158 . 1 . 1 37 37 GLY H H 1 7.449 0.02 . 1 . . . . . 29 GLY H . 52158 2 159 . 1 . 1 37 37 GLY C C 13 172.744 0.1 . 1 . . . . . 29 GLY C . 52158 2 160 . 1 . 1 37 37 GLY CA C 13 45.681 0.3 . 1 . . . . . 29 GLY CA . 52158 2 161 . 1 . 1 37 37 GLY N N 15 109.727 0.15 . 1 . . . . . 29 GLY N . 52158 2 162 . 1 . 1 38 38 LYS H H 1 7.342 0.02 . 1 . . . . . 30 LYS H . 52158 2 163 . 1 . 1 38 38 LYS C C 13 172.083 0.1 . 1 . . . . . 30 LYS C . 52158 2 164 . 1 . 1 38 38 LYS CA C 13 55.445 0.3 . 1 . . . . . 30 LYS CA . 52158 2 165 . 1 . 1 38 38 LYS CB C 13 32.876 0.3 . 1 . . . . . 30 LYS CB . 52158 2 166 . 1 . 1 38 38 LYS N N 15 116.757 0.15 . 1 . . . . . 30 LYS N . 52158 2 167 . 1 . 1 39 39 PRO C C 13 176.813 0.1 . 1 . . . . . 31 PRO C . 52158 2 168 . 1 . 1 39 39 PRO CA C 13 63.687 0.3 . 1 . . . . . 31 PRO CA . 52158 2 169 . 1 . 1 39 39 PRO CB C 13 30.23 0.3 . 1 . . . . . 31 PRO CB . 52158 2 170 . 1 . 1 39 39 PRO N N 15 129.473 0.15 . 1 . . . . . 31 PRO N . 52158 2 171 . 1 . 1 40 40 VAL H H 1 8.756 0.02 . 1 . . . . . 32 VAL H . 52158 2 172 . 1 . 1 40 40 VAL C C 13 176.332 0.1 . 1 . . . . . 32 VAL C . 52158 2 173 . 1 . 1 40 40 VAL CA C 13 62.119 0.3 . 1 . . . . . 32 VAL CA . 52158 2 174 . 1 . 1 40 40 VAL CB C 13 32.785 0.3 . 1 . . . . . 32 VAL CB . 52158 2 175 . 1 . 1 40 40 VAL N N 15 127.808 0.15 . 1 . . . . . 32 VAL N . 52158 2 176 . 1 . 1 41 41 ASP H H 1 8.105 0.02 . 1 . . . . . 33 ASP H . 52158 2 177 . 1 . 1 41 41 ASP C C 13 174.384 0.1 . 1 . . . . . 33 ASP C . 52158 2 178 . 1 . 1 41 41 ASP CA C 13 57.194 0.3 . 1 . . . . . 33 ASP CA . 52158 2 179 . 1 . 1 41 41 ASP CB C 13 40.811 0.3 . 1 . . . . . 33 ASP CB . 52158 2 180 . 1 . 1 41 41 ASP N N 15 128.844 0.15 . 1 . . . . . 33 ASP N . 52158 2 181 . 1 . 1 42 42 GLY H H 1 7.935 0.02 . 1 . . . . . 34 GLY H . 52158 2 182 . 1 . 1 42 42 GLY C C 13 173.3 0.1 . 1 . . . . . 34 GLY C . 52158 2 183 . 1 . 1 42 42 GLY CA C 13 44.88 0.3 . 1 . . . . . 34 GLY CA . 52158 2 184 . 1 . 1 42 42 GLY N N 15 109.13 0.15 . 1 . . . . . 34 GLY N . 52158 2 185 . 1 . 1 43 43 TYR H H 1 8.243 0.02 . 1 . . . . . 35 TYR H . 52158 2 186 . 1 . 1 43 43 TYR C C 13 176.39 0.1 . 1 . . . . . 35 TYR C . 52158 2 187 . 1 . 1 43 43 TYR CA C 13 58.947 0.3 . 1 . . . . . 35 TYR CA . 52158 2 188 . 1 . 1 43 43 TYR CB C 13 37.301 0.3 . 1 . . . . . 35 TYR CB . 52158 2 189 . 1 . 1 43 43 TYR N N 15 119.934 0.15 . 1 . . . . . 35 TYR N . 52158 2 190 . 1 . 1 44 44 GLU H H 1 8.889 0.02 . 1 . . . . . 36 GLU H . 52158 2 191 . 1 . 1 44 44 GLU C C 13 176.876 0.1 . 1 . . . . . 36 GLU C . 52158 2 192 . 1 . 1 44 44 GLU CA C 13 58.044 0.3 . 1 . . . . . 36 GLU CA . 52158 2 193 . 1 . 1 44 44 GLU CB C 13 30.449 0.3 . 1 . . . . . 36 GLU CB . 52158 2 194 . 1 . 1 44 44 GLU N N 15 121.803 0.15 . 1 . . . . . 36 GLU N . 52158 2 195 . 1 . 1 45 45 VAL H H 1 7.174 0.02 . 1 . . . . . 37 VAL H . 52158 2 196 . 1 . 1 45 45 VAL C C 13 172.701 0.1 . 1 . . . . . 37 VAL C . 52158 2 197 . 1 . 1 45 45 VAL CA C 13 59.558 0.3 . 1 . . . . . 37 VAL CA . 52158 2 198 . 1 . 1 45 45 VAL CB C 13 35.238 0.3 . 1 . . . . . 37 VAL CB . 52158 2 199 . 1 . 1 45 45 VAL N N 15 109.654 0.15 . 1 . . . . . 37 VAL N . 52158 2 200 . 1 . 1 46 46 ASN C C 13 174.052 0.1 . 1 . . . . . 38 ASN C . 52158 2 201 . 1 . 1 46 46 ASN CA C 13 50.902 0.3 . 1 . . . . . 38 ASN CA . 52158 2 202 . 1 . 1 46 46 ASN CB C 13 34.564 0.3 . 1 . . . . . 38 ASN CB . 52158 2 203 . 1 . 1 47 47 ARG H H 1 7.452 0.02 . 1 . . . . . 39 ARG H . 52158 2 204 . 1 . 1 47 47 ARG C C 13 173.764 0.1 . 1 . . . . . 39 ARG C . 52158 2 205 . 1 . 1 47 47 ARG CA C 13 53.709 0.3 . 1 . . . . . 39 ARG CA . 52158 2 206 . 1 . 1 47 47 ARG CB C 13 35.813 0.3 . 1 . . . . . 39 ARG CB . 52158 2 207 . 1 . 1 47 47 ARG N N 15 117.93 0.15 . 1 . . . . . 39 ARG N . 52158 2 208 . 1 . 1 48 48 ILE H H 1 8.828 0.02 . 1 . . . . . 40 ILE H . 52158 2 209 . 1 . 1 48 48 ILE C C 13 176.073 0.1 . 1 . . . . . 40 ILE C . 52158 2 210 . 1 . 1 48 48 ILE CA C 13 59.033 0.3 . 1 . . . . . 40 ILE CA . 52158 2 211 . 1 . 1 48 48 ILE CB C 13 35.616 0.3 . 1 . . . . . 40 ILE CB . 52158 2 212 . 1 . 1 48 48 ILE N N 15 120.954 0.15 . 1 . . . . . 40 ILE N . 52158 2 213 . 1 . 1 49 49 VAL H H 1 9.253 0.02 . 1 . . . . . 41 VAL H . 52158 2 214 . 1 . 1 49 49 VAL C C 13 175.213 0.1 . 1 . . . . . 41 VAL C . 52158 2 215 . 1 . 1 49 49 VAL CA C 13 61.292 0.3 . 1 . . . . . 41 VAL CA . 52158 2 216 . 1 . 1 49 49 VAL CB C 13 34.613 0.3 . 1 . . . . . 41 VAL CB . 52158 2 217 . 1 . 1 49 49 VAL N N 15 130.377 0.15 . 1 . . . . . 41 VAL N . 52158 2 218 . 1 . 1 50 50 GLY H H 1 8.665 0.02 . 1 . . . . . 42 GLY H . 52158 2 219 . 1 . 1 50 50 GLY C C 13 171.187 0.1 . 1 . . . . . 42 GLY C . 52158 2 220 . 1 . 1 50 50 GLY CA C 13 46.721 0.3 . 1 . . . . . 42 GLY CA . 52158 2 221 . 1 . 1 50 50 GLY N N 15 109.983 0.15 . 1 . . . . . 42 GLY N . 52158 2 222 . 1 . 1 51 51 THR H H 1 7.968 0.02 . 1 . . . . . 43 THR H . 52158 2 223 . 1 . 1 51 51 THR C C 13 176.511 0.1 . 1 . . . . . 43 THR C . 52158 2 224 . 1 . 1 51 51 THR CA C 13 62.167 0.3 . 1 . . . . . 43 THR CA . 52158 2 225 . 1 . 1 51 51 THR CB C 13 71.325 0.3 . 1 . . . . . 43 THR CB . 52158 2 226 . 1 . 1 51 51 THR N N 15 110.322 0.15 . 1 . . . . . 43 THR N . 52158 2 227 . 1 . 1 52 52 TYR H H 1 7.492 0.02 . 1 . . . . . 44 TYR H . 52158 2 228 . 1 . 1 52 52 TYR C C 13 177.982 0.1 . 1 . . . . . 44 TYR C . 52158 2 229 . 1 . 1 52 52 TYR CA C 13 63.063 0.3 . 1 . . . . . 44 TYR CA . 52158 2 230 . 1 . 1 52 52 TYR CB C 13 37.436 0.3 . 1 . . . . . 44 TYR CB . 52158 2 231 . 1 . 1 52 52 TYR N N 15 119.36 0.15 . 1 . . . . . 44 TYR N . 52158 2 232 . 1 . 1 53 53 GLU H H 1 9.73 0.02 . 1 . . . . . 45 GLU H . 52158 2 233 . 1 . 1 53 53 GLU C C 13 179.796 0.1 . 1 . . . . . 45 GLU C . 52158 2 234 . 1 . 1 53 53 GLU CA C 13 62.141 0.3 . 1 . . . . . 45 GLU CA . 52158 2 235 . 1 . 1 53 53 GLU CB C 13 27.221 0.3 . 1 . . . . . 45 GLU CB . 52158 2 236 . 1 . 1 53 53 GLU N N 15 119.528 0.15 . 1 . . . . . 45 GLU N . 52158 2 237 . 1 . 1 54 54 LEU H H 1 7.872 0.02 . 1 . . . . . 46 LEU H . 52158 2 238 . 1 . 1 54 54 LEU C C 13 178.306 0.1 . 1 . . . . . 46 LEU C . 52158 2 239 . 1 . 1 54 54 LEU CA C 13 59.211 0.3 . 1 . . . . . 46 LEU CA . 52158 2 240 . 1 . 1 54 54 LEU CB C 13 40.797 0.3 . 1 . . . . . 46 LEU CB . 52158 2 241 . 1 . 1 54 54 LEU N N 15 123.082 0.15 . 1 . . . . . 46 LEU N . 52158 2 242 . 1 . 1 55 55 ALA H H 1 8.105 0.02 . 1 . . . . . 47 ALA H . 52158 2 243 . 1 . 1 55 55 ALA C C 13 178.782 0.1 . 1 . . . . . 47 ALA C . 52158 2 244 . 1 . 1 55 55 ALA CA C 13 56.282 0.3 . 1 . . . . . 47 ALA CA . 52158 2 245 . 1 . 1 55 55 ALA CB C 13 17.965 0.3 . 1 . . . . . 47 ALA CB . 52158 2 246 . 1 . 1 55 55 ALA N N 15 120.907 0.15 . 1 . . . . . 47 ALA N . 52158 2 247 . 1 . 1 56 56 GLU H H 1 8.565 0.02 . 1 . . . . . 48 GLU H . 52158 2 248 . 1 . 1 56 56 GLU C C 13 180.504 0.1 . 1 . . . . . 48 GLU C . 52158 2 249 . 1 . 1 56 56 GLU CA C 13 59.717 0.3 . 1 . . . . . 48 GLU CA . 52158 2 250 . 1 . 1 56 56 GLU CB C 13 28.13 0.3 . 1 . . . . . 48 GLU CB . 52158 2 251 . 1 . 1 56 56 GLU N N 15 115.608 0.15 . 1 . . . . . 48 GLU N . 52158 2 252 . 1 . 1 57 57 SER H H 1 7.87 0.02 . 1 . . . . . 49 SER H . 52158 2 253 . 1 . 1 57 57 SER C C 13 176.682 0.1 . 1 . . . . . 49 SER C . 52158 2 254 . 1 . 1 57 57 SER CB C 13 63.968 0.3 . 1 . . . . . 49 SER CB . 52158 2 255 . 1 . 1 57 57 SER N N 15 117.415 0.15 . 1 . . . . . 49 SER N . 52158 2 256 . 1 . 1 58 58 LEU H H 1 8.783 0.02 . 1 . . . . . 50 LEU H . 52158 2 257 . 1 . 1 58 58 LEU C C 13 179.196 0.1 . 1 . . . . . 50 LEU C . 52158 2 258 . 1 . 1 58 58 LEU CA C 13 56.714 0.3 . 1 . . . . . 50 LEU CA . 52158 2 259 . 1 . 1 58 58 LEU CB C 13 41.393 0.3 . 1 . . . . . 50 LEU CB . 52158 2 260 . 1 . 1 58 58 LEU N N 15 124.04 0.15 . 1 . . . . . 50 LEU N . 52158 2 261 . 1 . 1 59 59 LEU H H 1 8.135 0.02 . 1 . . . . . 51 LEU H . 52158 2 262 . 1 . 1 59 59 LEU C C 13 179.807 0.1 . 1 . . . . . 51 LEU C . 52158 2 263 . 1 . 1 59 59 LEU CA C 13 59.275 0.3 . 1 . . . . . 51 LEU CA . 52158 2 264 . 1 . 1 59 59 LEU CB C 13 41.157 0.3 . 1 . . . . . 51 LEU CB . 52158 2 265 . 1 . 1 59 59 LEU N N 15 121.78 0.15 . 1 . . . . . 51 LEU N . 52158 2 266 . 1 . 1 60 60 LYS H H 1 7.074 0.02 . 1 . . . . . 52 LYS H . 52158 2 267 . 1 . 1 60 60 LYS C C 13 179.586 0.1 . 1 . . . . . 52 LYS C . 52158 2 268 . 1 . 1 60 60 LYS CA C 13 60.151 0.3 . 1 . . . . . 52 LYS CA . 52158 2 269 . 1 . 1 60 60 LYS CB C 13 31.099 0.3 . 1 . . . . . 52 LYS CB . 52158 2 270 . 1 . 1 60 60 LYS N N 15 119.547 0.15 . 1 . . . . . 52 LYS N . 52158 2 271 . 1 . 1 61 61 ALA H H 1 8.168 0.02 . 1 . . . . . 53 ALA H . 52158 2 272 . 1 . 1 61 61 ALA C C 13 179.322 0.1 . 1 . . . . . 53 ALA C . 52158 2 273 . 1 . 1 61 61 ALA CA C 13 56.122 0.3 . 1 . . . . . 53 ALA CA . 52158 2 274 . 1 . 1 61 61 ALA CB C 13 17.837 0.3 . 1 . . . . . 53 ALA CB . 52158 2 275 . 1 . 1 61 61 ALA N N 15 123.933 0.15 . 1 . . . . . 53 ALA N . 52158 2 276 . 1 . 1 62 62 LYS H H 1 8.938 0.02 . 1 . . . . . 54 LYS H . 52158 2 277 . 1 . 1 62 62 LYS C C 13 180.3 0.1 . 1 . . . . . 54 LYS C . 52158 2 278 . 1 . 1 62 62 LYS CA C 13 60.421 0.3 . 1 . . . . . 54 LYS CA . 52158 2 279 . 1 . 1 62 62 LYS CB C 13 32.075 0.3 . 1 . . . . . 54 LYS CB . 52158 2 280 . 1 . 1 62 62 LYS N N 15 119.771 0.15 . 1 . . . . . 54 LYS N . 52158 2 281 . 1 . 1 63 63 GLU H H 1 7.94 0.02 . 1 . . . . . 55 GLU H . 52158 2 282 . 1 . 1 63 63 GLU C C 13 179.333 0.1 . 1 . . . . . 55 GLU C . 52158 2 283 . 1 . 1 63 63 GLU CA C 13 59.832 0.3 . 1 . . . . . 55 GLU CA . 52158 2 284 . 1 . 1 63 63 GLU CB C 13 28.473 0.3 . 1 . . . . . 55 GLU CB . 52158 2 285 . 1 . 1 63 63 GLU N N 15 121.53 0.15 . 1 . . . . . 55 GLU N . 52158 2 286 . 1 . 1 64 64 LEU H H 1 8.323 0.02 . 1 . . . . . 56 LEU H . 52158 2 287 . 1 . 1 64 64 LEU C C 13 181.071 0.1 . 1 . . . . . 56 LEU C . 52158 2 288 . 1 . 1 64 64 LEU CA C 13 58.68 0.3 . 1 . . . . . 56 LEU CA . 52158 2 289 . 1 . 1 64 64 LEU CB C 13 41.461 0.3 . 1 . . . . . 56 LEU CB . 52158 2 290 . 1 . 1 64 64 LEU N N 15 122.507 0.15 . 1 . . . . . 56 LEU N . 52158 2 291 . 1 . 1 65 65 ALA H H 1 9.167 0.02 . 1 . . . . . 57 ALA H . 52158 2 292 . 1 . 1 65 65 ALA C C 13 180.915 0.1 . 1 . . . . . 57 ALA C . 52158 2 293 . 1 . 1 65 65 ALA CA C 13 56.236 0.3 . 1 . . . . . 57 ALA CA . 52158 2 294 . 1 . 1 65 65 ALA CB C 13 17.296 0.3 . 1 . . . . . 57 ALA CB . 52158 2 295 . 1 . 1 65 65 ALA N N 15 122.336 0.15 . 1 . . . . . 57 ALA N . 52158 2 296 . 1 . 1 66 66 ALA H H 1 8.188 0.02 . 1 . . . . . 58 ALA H . 52158 2 297 . 1 . 1 66 66 ALA C C 13 182.717 0.1 . 1 . . . . . 58 ALA C . 52158 2 298 . 1 . 1 66 66 ALA CA C 13 56.286 0.3 . 1 . . . . . 58 ALA CA . 52158 2 299 . 1 . 1 66 66 ALA CB C 13 17.312 0.3 . 1 . . . . . 58 ALA CB . 52158 2 300 . 1 . 1 66 66 ALA N N 15 121.655 0.15 . 1 . . . . . 58 ALA N . 52158 2 301 . 1 . 1 67 67 THR H H 1 7.836 0.02 . 1 . . . . . 59 THR H . 52158 2 302 . 1 . 1 67 67 THR C C 13 175.982 0.1 . 1 . . . . . 59 THR C . 52158 2 303 . 1 . 1 67 67 THR CA C 13 66.182 0.3 . 1 . . . . . 59 THR CA . 52158 2 304 . 1 . 1 67 67 THR CB C 13 69.596 0.3 . 1 . . . . . 59 THR CB . 52158 2 305 . 1 . 1 67 67 THR N N 15 113.059 0.15 . 1 . . . . . 59 THR N . 52158 2 306 . 1 . 1 68 68 GLN H H 1 7.261 0.02 . 1 . . . . . 60 GLN H . 52158 2 307 . 1 . 1 68 68 GLN C C 13 175.218 0.1 . 1 . . . . . 60 GLN C . 52158 2 308 . 1 . 1 68 68 GLN CA C 13 56.066 0.3 . 1 . . . . . 60 GLN CA . 52158 2 309 . 1 . 1 68 68 GLN CB C 13 29.958 0.3 . 1 . . . . . 60 GLN CB . 52158 2 310 . 1 . 1 68 68 GLN N N 15 118.717 0.15 . 1 . . . . . 60 GLN N . 52158 2 311 . 1 . 1 69 69 GLY H H 1 7.728 0.02 . 1 . . . . . 61 GLY H . 52158 2 312 . 1 . 1 69 69 GLY C C 13 174.706 0.1 . 1 . . . . . 61 GLY C . 52158 2 313 . 1 . 1 69 69 GLY CA C 13 45.725 0.3 . 1 . . . . . 61 GLY CA . 52158 2 314 . 1 . 1 69 69 GLY N N 15 105.924 0.15 . 1 . . . . . 61 GLY N . 52158 2 315 . 1 . 1 70 70 TYR H H 1 8.425 0.02 . 1 . . . . . 62 TYR H . 52158 2 316 . 1 . 1 70 70 TYR C C 13 174.766 0.1 . 1 . . . . . 62 TYR C . 52158 2 317 . 1 . 1 70 70 TYR CA C 13 57.705 0.3 . 1 . . . . . 62 TYR CA . 52158 2 318 . 1 . 1 70 70 TYR CB C 13 42.562 0.3 . 1 . . . . . 62 TYR CB . 52158 2 319 . 1 . 1 70 70 TYR N N 15 120.984 0.15 . 1 . . . . . 62 TYR N . 52158 2 320 . 1 . 1 71 71 GLY H H 1 8.557 0.02 . 1 . . . . . 63 GLY H . 52158 2 321 . 1 . 1 71 71 GLY C C 13 172.218 0.1 . 1 . . . . . 63 GLY C . 52158 2 322 . 1 . 1 71 71 GLY CA C 13 43.606 0.3 . 1 . . . . . 63 GLY CA . 52158 2 323 . 1 . 1 71 71 GLY N N 15 108.182 0.15 . 1 . . . . . 63 GLY N . 52158 2 324 . 1 . 1 72 72 LEU H H 1 8.454 0.02 . 1 . . . . . 64 LEU H . 52158 2 325 . 1 . 1 72 72 LEU C C 13 175.042 0.1 . 1 . . . . . 64 LEU C . 52158 2 326 . 1 . 1 72 72 LEU CA C 13 54.148 0.3 . 1 . . . . . 64 LEU CA . 52158 2 327 . 1 . 1 72 72 LEU CB C 13 43.777 0.3 . 1 . . . . . 64 LEU CB . 52158 2 328 . 1 . 1 72 72 LEU N N 15 116.526 0.15 . 1 . . . . . 64 LEU N . 52158 2 329 . 1 . 1 73 73 LEU H H 1 8.127 0.02 . 1 . . . . . 65 LEU H . 52158 2 330 . 1 . 1 73 73 LEU C C 13 173.566 0.1 . 1 . . . . . 65 LEU C . 52158 2 331 . 1 . 1 73 73 LEU CA C 13 53.706 0.3 . 1 . . . . . 65 LEU CA . 52158 2 332 . 1 . 1 73 73 LEU CB C 13 43.087 0.3 . 1 . . . . . 65 LEU CB . 52158 2 333 . 1 . 1 73 73 LEU N N 15 124.06 0.15 . 1 . . . . . 65 LEU N . 52158 2 334 . 1 . 1 74 74 LEU H H 1 8.737 0.02 . 1 . . . . . 66 LEU H . 52158 2 335 . 1 . 1 74 74 LEU C C 13 176.336 0.1 . 1 . . . . . 66 LEU C . 52158 2 336 . 1 . 1 74 74 LEU CA C 13 54.797 0.3 . 1 . . . . . 66 LEU CA . 52158 2 337 . 1 . 1 74 74 LEU CB C 13 43.211 0.3 . 1 . . . . . 66 LEU CB . 52158 2 338 . 1 . 1 74 74 LEU N N 15 122.918 0.15 . 1 . . . . . 66 LEU N . 52158 2 339 . 1 . 1 75 75 TRP H H 1 8.675 0.02 . 1 . . . . . 67 TRP H . 52158 2 340 . 1 . 1 75 75 TRP C C 13 176.835 0.1 . 1 . . . . . 67 TRP C . 52158 2 341 . 1 . 1 75 75 TRP CA C 13 58.255 0.3 . 1 . . . . . 67 TRP CA . 52158 2 342 . 1 . 1 75 75 TRP CB C 13 31.339 0.3 . 1 . . . . . 67 TRP CB . 52158 2 343 . 1 . 1 75 75 TRP N N 15 120.715 0.15 . 1 . . . . . 67 TRP N . 52158 2 344 . 1 . 1 76 76 ASP H H 1 7.291 0.02 . 1 . . . . . 68 ASP H . 52158 2 345 . 1 . 1 76 76 ASP C C 13 174.893 0.1 . 1 . . . . . 68 ASP C . 52158 2 346 . 1 . 1 76 76 ASP CA C 13 58.105 0.3 . 1 . . . . . 68 ASP CA . 52158 2 347 . 1 . 1 76 76 ASP CB C 13 44.622 0.3 . 1 . . . . . 68 ASP CB . 52158 2 348 . 1 . 1 76 76 ASP N N 15 113.025 0.15 . 1 . . . . . 68 ASP N . 52158 2 349 . 1 . 1 77 77 GLY H H 1 8.323 0.02 . 1 . . . . . 69 GLY H . 52158 2 350 . 1 . 1 77 77 GLY C C 13 173.686 0.1 . 1 . . . . . 69 GLY C . 52158 2 351 . 1 . 1 77 77 GLY CA C 13 46.021 0.3 . 1 . . . . . 69 GLY CA . 52158 2 352 . 1 . 1 77 77 GLY N N 15 117.832 0.15 . 1 . . . . . 69 GLY N . 52158 2 353 . 1 . 1 78 78 TYR H H 1 9.755 0.02 . 1 . . . . . 70 TYR H . 52158 2 354 . 1 . 1 78 78 TYR C C 13 171.234 0.1 . 1 . . . . . 70 TYR C . 52158 2 355 . 1 . 1 78 78 TYR CA C 13 59.45 0.3 . 1 . . . . . 70 TYR CA . 52158 2 356 . 1 . 1 78 78 TYR CB C 13 38.742 0.3 . 1 . . . . . 70 TYR CB . 52158 2 357 . 1 . 1 78 78 TYR N N 15 133.349 0.15 . 1 . . . . . 70 TYR N . 52158 2 358 . 1 . 1 79 79 ARG H H 1 6.065 0.02 . 1 . . . . . 71 ARG H . 52158 2 359 . 1 . 1 79 79 ARG C C 13 171.976 0.1 . 1 . . . . . 71 ARG C . 52158 2 360 . 1 . 1 79 79 ARG CA C 13 50.92 0.3 . 1 . . . . . 71 ARG CA . 52158 2 361 . 1 . 1 79 79 ARG CB C 13 37.785 0.3 . 1 . . . . . 71 ARG CB . 52158 2 362 . 1 . 1 79 79 ARG N N 15 130.079 0.15 . 1 . . . . . 71 ARG N . 52158 2 363 . 1 . 1 80 80 PRO C C 13 178.596 0.1 . 1 . . . . . 72 PRO C . 52158 2 364 . 1 . 1 80 80 PRO CA C 13 62.809 0.3 . 1 . . . . . 72 PRO CA . 52158 2 365 . 1 . 1 80 80 PRO CB C 13 32.242 0.3 . 1 . . . . . 72 PRO CB . 52158 2 366 . 1 . 1 80 80 PRO N N 15 130.593 0.15 . 1 . . . . . 72 PRO N . 52158 2 367 . 1 . 1 81 81 LYS H H 1 9.061 0.02 . 1 . . . . . 73 LYS H . 52158 2 368 . 1 . 1 81 81 LYS C C 13 179.383 0.1 . 1 . . . . . 73 LYS C . 52158 2 369 . 1 . 1 81 81 LYS CA C 13 61.92 0.3 . 1 . . . . . 73 LYS CA . 52158 2 370 . 1 . 1 81 81 LYS CB C 13 32.192 0.3 . 1 . . . . . 73 LYS CB . 52158 2 371 . 1 . 1 81 81 LYS N N 15 125.144 0.15 . 1 . . . . . 73 LYS N . 52158 2 372 . 1 . 1 82 82 ARG H H 1 9.01 0.02 . 1 . . . . . 74 ARG H . 52158 2 373 . 1 . 1 82 82 ARG C C 13 178.616 0.1 . 1 . . . . . 74 ARG C . 52158 2 374 . 1 . 1 82 82 ARG CA C 13 59.061 0.3 . 1 . . . . . 74 ARG CA . 52158 2 375 . 1 . 1 82 82 ARG CB C 13 27.945 0.3 . 1 . . . . . 74 ARG CB . 52158 2 376 . 1 . 1 82 82 ARG N N 15 115.46 0.15 . 1 . . . . . 74 ARG N . 52158 2 377 . 1 . 1 83 83 ALA H H 1 7.436 0.02 . 1 . . . . . 75 ALA H . 52158 2 378 . 1 . 1 83 83 ALA C C 13 179.023 0.1 . 1 . . . . . 75 ALA C . 52158 2 379 . 1 . 1 83 83 ALA CA C 13 55.221 0.3 . 1 . . . . . 75 ALA CA . 52158 2 380 . 1 . 1 83 83 ALA CB C 13 19.136 0.3 . 1 . . . . . 75 ALA CB . 52158 2 381 . 1 . 1 83 83 ALA N N 15 126.921 0.15 . 1 . . . . . 75 ALA N . 52158 2 382 . 1 . 1 84 84 VAL H H 1 6.679 0.02 . 1 . . . . . 76 VAL H . 52158 2 383 . 1 . 1 84 84 VAL C C 13 179.396 0.1 . 1 . . . . . 76 VAL C . 52158 2 384 . 1 . 1 84 84 VAL CA C 13 67.192 0.3 . 1 . . . . . 76 VAL CA . 52158 2 385 . 1 . 1 84 84 VAL CB C 13 30.842 0.3 . 1 . . . . . 76 VAL CB . 52158 2 386 . 1 . 1 84 84 VAL N N 15 119.338 0.15 . 1 . . . . . 76 VAL N . 52158 2 387 . 1 . 1 85 85 ASN H H 1 8.457 0.02 . 1 . . . . . 77 ASN H . 52158 2 388 . 1 . 1 85 85 ASN C C 13 178.475 0.1 . 1 . . . . . 77 ASN C . 52158 2 389 . 1 . 1 85 85 ASN CA C 13 56.884 0.3 . 1 . . . . . 77 ASN CA . 52158 2 390 . 1 . 1 85 85 ASN CB C 13 37.523 0.3 . 1 . . . . . 77 ASN CB . 52158 2 391 . 1 . 1 85 85 ASN N N 15 117.73 0.15 . 1 . . . . . 77 ASN N . 52158 2 392 . 1 . 1 86 86 SER H H 1 7.619 0.02 . 1 . . . . . 78 SER H . 52158 2 393 . 1 . 1 86 86 SER C C 13 178.279 0.1 . 1 . . . . . 78 SER C . 52158 2 394 . 1 . 1 86 86 SER CA C 13 62.783 0.3 . 1 . . . . . 78 SER CA . 52158 2 395 . 1 . 1 86 86 SER CB C 13 68.467 0.3 . 1 . . . . . 78 SER CB . 52158 2 396 . 1 . 1 86 86 SER N N 15 117.669 0.15 . 1 . . . . . 78 SER N . 52158 2 397 . 1 . 1 87 87 PHE H H 1 7.989 0.02 . 1 . . . . . 79 PHE H . 52158 2 398 . 1 . 1 87 87 PHE C C 13 178.788 0.1 . 1 . . . . . 79 PHE C . 52158 2 399 . 1 . 1 87 87 PHE CA C 13 58.495 0.3 . 1 . . . . . 79 PHE CA . 52158 2 400 . 1 . 1 87 87 PHE CB C 13 36.561 0.3 . 1 . . . . . 79 PHE CB . 52158 2 401 . 1 . 1 87 87 PHE N N 15 123.431 0.15 . 1 . . . . . 79 PHE N . 52158 2 402 . 1 . 1 88 88 MET H H 1 8.069 0.02 . 1 . . . . . 80 MET H . 52158 2 403 . 1 . 1 88 88 MET C C 13 180.195 0.1 . 1 . . . . . 80 MET C . 52158 2 404 . 1 . 1 88 88 MET CA C 13 58.227 0.3 . 1 . . . . . 80 MET CA . 52158 2 405 . 1 . 1 88 88 MET CB C 13 31.682 0.3 . 1 . . . . . 80 MET CB . 52158 2 406 . 1 . 1 88 88 MET N N 15 118.211 0.15 . 1 . . . . . 80 MET N . 52158 2 407 . 1 . 1 89 89 GLN H H 1 8.126 0.02 . 1 . . . . . 81 GLN H . 52158 2 408 . 1 . 1 89 89 GLN C C 13 179.731 0.1 . 1 . . . . . 81 GLN C . 52158 2 409 . 1 . 1 89 89 GLN CA C 13 59.553 0.3 . 1 . . . . . 81 GLN CA . 52158 2 410 . 1 . 1 89 89 GLN CB C 13 28.136 0.3 . 1 . . . . . 81 GLN CB . 52158 2 411 . 1 . 1 89 89 GLN N N 15 120.684 0.15 . 1 . . . . . 81 GLN N . 52158 2 412 . 1 . 1 90 90 TRP H H 1 8.706 0.02 . 1 . . . . . 82 TRP H . 52158 2 413 . 1 . 1 90 90 TRP C C 13 179.725 0.1 . 1 . . . . . 82 TRP C . 52158 2 414 . 1 . 1 90 90 TRP CA C 13 62.467 0.3 . 1 . . . . . 82 TRP CA . 52158 2 415 . 1 . 1 90 90 TRP CB C 13 28.088 0.3 . 1 . . . . . 82 TRP CB . 52158 2 416 . 1 . 1 90 90 TRP N N 15 123.481 0.15 . 1 . . . . . 82 TRP N . 52158 2 417 . 1 . 1 91 91 ALA H H 1 8.497 0.02 . 1 . . . . . 83 ALA H . 52158 2 418 . 1 . 1 91 91 ALA C C 13 176.677 0.1 . 1 . . . . . 83 ALA C . 52158 2 419 . 1 . 1 91 91 ALA CA C 13 54.82 0.3 . 1 . . . . . 83 ALA CA . 52158 2 420 . 1 . 1 91 91 ALA CB C 13 17.52 0.3 . 1 . . . . . 83 ALA CB . 52158 2 421 . 1 . 1 91 91 ALA N N 15 121.757 0.15 . 1 . . . . . 83 ALA N . 52158 2 422 . 1 . 1 92 92 ALA H H 1 7.083 0.02 . 1 . . . . . 84 ALA H . 52158 2 423 . 1 . 1 92 92 ALA C C 13 178.174 0.1 . 1 . . . . . 84 ALA C . 52158 2 424 . 1 . 1 92 92 ALA CA C 13 51.986 0.3 . 1 . . . . . 84 ALA CA . 52158 2 425 . 1 . 1 92 92 ALA CB C 13 19.065 0.3 . 1 . . . . . 84 ALA CB . 52158 2 426 . 1 . 1 92 92 ALA N N 15 118.129 0.15 . 1 . . . . . 84 ALA N . 52158 2 427 . 1 . 1 93 93 GLN H H 1 7.161 0.02 . 1 . . . . . 85 GLN H . 52158 2 428 . 1 . 1 93 93 GLN C C 13 173.325 0.1 . 1 . . . . . 85 GLN C . 52158 2 429 . 1 . 1 93 93 GLN CA C 13 54.593 0.3 . 1 . . . . . 85 GLN CA . 52158 2 430 . 1 . 1 93 93 GLN CB C 13 27.234 0.3 . 1 . . . . . 85 GLN CB . 52158 2 431 . 1 . 1 93 93 GLN N N 15 120.354 0.15 . 1 . . . . . 85 GLN N . 52158 2 432 . 1 . 1 94 94 PRO C C 13 176.669 0.1 . 1 . . . . . 86 PRO C . 52158 2 433 . 1 . 1 94 94 PRO CA C 13 62.979 0.3 . 1 . . . . . 86 PRO CA . 52158 2 434 . 1 . 1 94 94 PRO CB C 13 31.538 0.3 . 1 . . . . . 86 PRO CB . 52158 2 435 . 1 . 1 95 95 GLU H H 1 8.412 0.02 . 1 . . . . . 87 GLU H . 52158 2 436 . 1 . 1 95 95 GLU C C 13 175.975 0.1 . 1 . . . . . 87 GLU C . 52158 2 437 . 1 . 1 95 95 GLU CA C 13 57.547 0.3 . 1 . . . . . 87 GLU CA . 52158 2 438 . 1 . 1 95 95 GLU CB C 13 30.389 0.3 . 1 . . . . . 87 GLU CB . 52158 2 439 . 1 . 1 95 95 GLU N N 15 122.277 0.15 . 1 . . . . . 87 GLU N . 52158 2 440 . 1 . 1 96 96 ASN H H 1 7.454 0.02 . 1 . . . . . 88 ASN H . 52158 2 441 . 1 . 1 96 96 ASN C C 13 176.773 0.1 . 1 . . . . . 88 ASN C . 52158 2 442 . 1 . 1 96 96 ASN CA C 13 53.039 0.3 . 1 . . . . . 88 ASN CA . 52158 2 443 . 1 . 1 96 96 ASN CB C 13 38.535 0.3 . 1 . . . . . 88 ASN CB . 52158 2 444 . 1 . 1 96 96 ASN N N 15 125.792 0.15 . 1 . . . . . 88 ASN N . 52158 2 445 . 1 . 1 97 97 ASN H H 1 10.707 0.02 . 1 . . . . . 89 ASN H . 52158 2 446 . 1 . 1 97 97 ASN C C 13 175.602 0.1 . 1 . . . . . 89 ASN C . 52158 2 447 . 1 . 1 97 97 ASN CA C 13 56.059 0.3 . 1 . . . . . 89 ASN CA . 52158 2 448 . 1 . 1 97 97 ASN CB C 13 37.837 0.3 . 1 . . . . . 89 ASN CB . 52158 2 449 . 1 . 1 97 97 ASN N N 15 117.584 0.15 . 1 . . . . . 89 ASN N . 52158 2 450 . 1 . 1 98 98 LEU H H 1 7.625 0.02 . 1 . . . . . 90 LEU H . 52158 2 451 . 1 . 1 98 98 LEU C C 13 179.393 0.1 . 1 . . . . . 90 LEU C . 52158 2 452 . 1 . 1 98 98 LEU CA C 13 59.517 0.3 . 1 . . . . . 90 LEU CA . 52158 2 453 . 1 . 1 98 98 LEU CB C 13 42.511 0.3 . 1 . . . . . 90 LEU CB . 52158 2 454 . 1 . 1 98 98 LEU N N 15 121.671 0.15 . 1 . . . . . 90 LEU N . 52158 2 455 . 1 . 1 99 99 THR H H 1 9.072 0.02 . 1 . . . . . 91 THR H . 52158 2 456 . 1 . 1 99 99 THR C C 13 175.718 0.1 . 1 . . . . . 91 THR C . 52158 2 457 . 1 . 1 99 99 THR CA C 13 61.573 0.3 . 1 . . . . . 91 THR CA . 52158 2 458 . 1 . 1 99 99 THR CB C 13 70.48 0.3 . 1 . . . . . 91 THR CB . 52158 2 459 . 1 . 1 99 99 THR N N 15 106.631 0.15 . 1 . . . . . 91 THR N . 52158 2 460 . 1 . 1 100 100 LYS H H 1 6.481 0.02 . 1 . . . . . 92 LYS H . 52158 2 461 . 1 . 1 100 100 LYS C C 13 178.076 0.1 . 1 . . . . . 92 LYS C . 52158 2 462 . 1 . 1 100 100 LYS CA C 13 60.418 0.3 . 1 . . . . . 92 LYS CA . 52158 2 463 . 1 . 1 100 100 LYS CB C 13 32.638 0.3 . 1 . . . . . 92 LYS CB . 52158 2 464 . 1 . 1 100 100 LYS N N 15 123.417 0.15 . 1 . . . . . 92 LYS N . 52158 2 465 . 1 . 1 101 101 GLU H H 1 8.544 0.02 . 1 . . . . . 93 GLU H . 52158 2 466 . 1 . 1 101 101 GLU C C 13 177.831 0.1 . 1 . . . . . 93 GLU C . 52158 2 467 . 1 . 1 101 101 GLU CA C 13 59.857 0.3 . 1 . . . . . 93 GLU CA . 52158 2 468 . 1 . 1 101 101 GLU CB C 13 28.104 0.3 . 1 . . . . . 93 GLU CB . 52158 2 469 . 1 . 1 101 101 GLU N N 15 116.41 0.15 . 1 . . . . . 93 GLU N . 52158 2 470 . 1 . 1 102 102 SER H H 1 7.368 0.02 . 1 . . . . . 94 SER H . 52158 2 471 . 1 . 1 102 102 SER C C 13 174.923 0.1 . 1 . . . . . 94 SER C . 52158 2 472 . 1 . 1 102 102 SER CA C 13 61.075 0.3 . 1 . . . . . 94 SER CA . 52158 2 473 . 1 . 1 102 102 SER CB C 13 64.123 0.3 . 1 . . . . . 94 SER CB . 52158 2 474 . 1 . 1 102 102 SER N N 15 109.41 0.15 . 1 . . . . . 94 SER N . 52158 2 475 . 1 . 1 103 103 TYR H H 1 7.445 0.02 . 1 . . . . . 95 TYR H . 52158 2 476 . 1 . 1 103 103 TYR C C 13 173.048 0.1 . 1 . . . . . 95 TYR C . 52158 2 477 . 1 . 1 103 103 TYR CA C 13 61.418 0.3 . 1 . . . . . 95 TYR CA . 52158 2 478 . 1 . 1 103 103 TYR CB C 13 41.314 0.3 . 1 . . . . . 95 TYR CB . 52158 2 479 . 1 . 1 103 103 TYR N N 15 114.392 0.15 . 1 . . . . . 95 TYR N . 52158 2 480 . 1 . 1 104 104 TYR H H 1 8.677 0.02 . 1 . . . . . 96 TYR H . 52158 2 481 . 1 . 1 104 104 TYR C C 13 172.681 0.1 . 1 . . . . . 96 TYR C . 52158 2 482 . 1 . 1 104 104 TYR CA C 13 55.667 0.3 . 1 . . . . . 96 TYR CA . 52158 2 483 . 1 . 1 104 104 TYR CB C 13 33.854 0.3 . 1 . . . . . 96 TYR CB . 52158 2 484 . 1 . 1 104 104 TYR N N 15 114.939 0.15 . 1 . . . . . 96 TYR N . 52158 2 485 . 1 . 1 105 105 PRO C C 13 178.314 0.1 . 1 . . . . . 97 PRO C . 52158 2 486 . 1 . 1 105 105 PRO CA C 13 65.853 0.3 . 1 . . . . . 97 PRO CA . 52158 2 487 . 1 . 1 105 105 PRO CB C 13 31.693 0.3 . 1 . . . . . 97 PRO CB . 52158 2 488 . 1 . 1 106 106 ASN H H 1 8.77 0.02 . 1 . . . . . 98 ASN H . 52158 2 489 . 1 . 1 106 106 ASN C C 13 174.85 0.1 . 1 . . . . . 98 ASN C . 52158 2 490 . 1 . 1 106 106 ASN CA C 13 54.028 0.3 . 1 . . . . . 98 ASN CA . 52158 2 491 . 1 . 1 106 106 ASN CB C 13 40.548 0.3 . 1 . . . . . 98 ASN CB . 52158 2 492 . 1 . 1 106 106 ASN N N 15 113.228 0.15 . 1 . . . . . 98 ASN N . 52158 2 493 . 1 . 1 107 107 ILE H H 1 7.14 0.02 . 1 . . . . . 99 ILE H . 52158 2 494 . 1 . 1 107 107 ILE C C 13 173.689 0.1 . 1 . . . . . 99 ILE C . 52158 2 495 . 1 . 1 107 107 ILE CA C 13 60.111 0.3 . 1 . . . . . 99 ILE CA . 52158 2 496 . 1 . 1 107 107 ILE CB C 13 41.626 0.3 . 1 . . . . . 99 ILE CB . 52158 2 497 . 1 . 1 107 107 ILE N N 15 114.385 0.15 . 1 . . . . . 99 ILE N . 52158 2 498 . 1 . 1 108 108 ASP H H 1 8.32 0.02 . 1 . . . . . 100 ASP H . 52158 2 499 . 1 . 1 108 108 ASP C C 13 178.026 0.1 . 1 . . . . . 100 ASP C . 52158 2 500 . 1 . 1 108 108 ASP CA C 13 52.878 0.3 . 1 . . . . . 100 ASP CA . 52158 2 501 . 1 . 1 108 108 ASP CB C 13 41.945 0.3 . 1 . . . . . 100 ASP CB . 52158 2 502 . 1 . 1 108 108 ASP N N 15 117.482 0.15 . 1 . . . . . 100 ASP N . 52158 2 503 . 1 . 1 109 109 ARG H H 1 8.421 0.02 . 1 . . . . . 101 ARG H . 52158 2 504 . 1 . 1 109 109 ARG C C 13 178.85 0.1 . 1 . . . . . 101 ARG C . 52158 2 505 . 1 . 1 109 109 ARG CA C 13 61.58 0.3 . 1 . . . . . 101 ARG CA . 52158 2 506 . 1 . 1 109 109 ARG CB C 13 30.545 0.3 . 1 . . . . . 101 ARG CB . 52158 2 507 . 1 . 1 109 109 ARG N N 15 117.863 0.15 . 1 . . . . . 101 ARG N . 52158 2 508 . 1 . 1 110 110 THR H H 1 7.825 0.02 . 1 . . . . . 102 THR H . 52158 2 509 . 1 . 1 110 110 THR C C 13 178.864 0.1 . 1 . . . . . 102 THR C . 52158 2 510 . 1 . 1 110 110 THR CA C 13 66.073 0.3 . 1 . . . . . 102 THR CA . 52158 2 511 . 1 . 1 110 110 THR CB C 13 68.46 0.3 . 1 . . . . . 102 THR CB . 52158 2 512 . 1 . 1 110 110 THR N N 15 108.878 0.15 . 1 . . . . . 102 THR N . 52158 2 513 . 1 . 1 111 111 GLU H H 1 7.993 0.02 . 1 . . . . . 103 GLU H . 52158 2 514 . 1 . 1 111 111 GLU C C 13 178.835 0.1 . 1 . . . . . 103 GLU C . 52158 2 515 . 1 . 1 111 111 GLU CA C 13 58.158 0.3 . 1 . . . . . 103 GLU CA . 52158 2 516 . 1 . 1 111 111 GLU CB C 13 29.877 0.3 . 1 . . . . . 103 GLU CB . 52158 2 517 . 1 . 1 111 111 GLU N N 15 123.422 0.15 . 1 . . . . . 103 GLU N . 52158 2 518 . 1 . 1 112 112 MET H H 1 7.821 0.02 . 1 . . . . . 104 MET H . 52158 2 519 . 1 . 1 112 112 MET C C 13 177.631 0.1 . 1 . . . . . 104 MET C . 52158 2 520 . 1 . 1 112 112 MET CA C 13 60.95 0.3 . 1 . . . . . 104 MET CA . 52158 2 521 . 1 . 1 112 112 MET CB C 13 32.768 0.3 . 1 . . . . . 104 MET CB . 52158 2 522 . 1 . 1 112 112 MET N N 15 120.034 0.15 . 1 . . . . . 104 MET N . 52158 2 523 . 1 . 1 113 113 ILE H H 1 6.964 0.02 . 1 . . . . . 105 ILE H . 52158 2 524 . 1 . 1 113 113 ILE C C 13 181.006 0.1 . 1 . . . . . 105 ILE C . 52158 2 525 . 1 . 1 113 113 ILE CA C 13 62.555 0.3 . 1 . . . . . 105 ILE CA . 52158 2 526 . 1 . 1 113 113 ILE CB C 13 37.594 0.3 . 1 . . . . . 105 ILE CB . 52158 2 527 . 1 . 1 113 113 ILE N N 15 115.93 0.15 . 1 . . . . . 105 ILE N . 52158 2 528 . 1 . 1 114 114 SER H H 1 8.544 0.02 . 1 . . . . . 106 SER H . 52158 2 529 . 1 . 1 114 114 SER C C 13 177.655 0.1 . 1 . . . . . 106 SER C . 52158 2 530 . 1 . 1 114 114 SER CA C 13 41.075 0.3 . 1 . . . . . 106 SER CA . 52158 2 531 . 1 . 1 114 114 SER CB C 13 62.747 0.3 . 1 . . . . . 106 SER CB . 52158 2 532 . 1 . 1 114 114 SER N N 15 117.984 0.15 . 1 . . . . . 106 SER N . 52158 2 533 . 1 . 1 115 115 LYS H H 1 8.516 0.02 . 1 . . . . . 107 LYS H . 52158 2 534 . 1 . 1 115 115 LYS C C 13 177.353 0.1 . 1 . . . . . 107 LYS C . 52158 2 535 . 1 . 1 115 115 LYS CA C 13 57.39 0.3 . 1 . . . . . 107 LYS CA . 52158 2 536 . 1 . 1 115 115 LYS CB C 13 31.137 0.3 . 1 . . . . . 107 LYS CB . 52158 2 537 . 1 . 1 115 115 LYS N N 15 118.52 0.15 . 1 . . . . . 107 LYS N . 52158 2 538 . 1 . 1 116 116 GLY H H 1 7.339 0.02 . 1 . . . . . 108 GLY H . 52158 2 539 . 1 . 1 116 116 GLY C C 13 175.685 0.1 . 1 . . . . . 108 GLY C . 52158 2 540 . 1 . 1 116 116 GLY CA C 13 46.019 0.3 . 1 . . . . . 108 GLY CA . 52158 2 541 . 1 . 1 116 116 GLY N N 15 102.531 0.15 . 1 . . . . . 108 GLY N . 52158 2 542 . 1 . 1 117 117 TYR H H 1 7.389 0.02 . 1 . . . . . 109 TYR H . 52158 2 543 . 1 . 1 117 117 TYR C C 13 177.632 0.1 . 1 . . . . . 109 TYR C . 52158 2 544 . 1 . 1 117 117 TYR CA C 13 61.914 0.3 . 1 . . . . . 109 TYR CA . 52158 2 545 . 1 . 1 117 117 TYR CB C 13 37.209 0.3 . 1 . . . . . 109 TYR CB . 52158 2 546 . 1 . 1 117 117 TYR N N 15 120.157 0.15 . 1 . . . . . 109 TYR N . 52158 2 547 . 1 . 1 118 118 VAL H H 1 7.506 0.02 . 1 . . . . . 110 VAL H . 52158 2 548 . 1 . 1 118 118 VAL C C 13 173.815 0.1 . 1 . . . . . 110 VAL C . 52158 2 549 . 1 . 1 118 118 VAL CA C 13 61.878 0.3 . 1 . . . . . 110 VAL CA . 52158 2 550 . 1 . 1 118 118 VAL CB C 13 33.88 0.3 . 1 . . . . . 110 VAL CB . 52158 2 551 . 1 . 1 118 118 VAL N N 15 117.345 0.15 . 1 . . . . . 110 VAL N . 52158 2 552 . 1 . 1 119 119 ALA H H 1 7.917 0.02 . 1 . . . . . 111 ALA H . 52158 2 553 . 1 . 1 119 119 ALA C C 13 177.057 0.1 . 1 . . . . . 111 ALA C . 52158 2 554 . 1 . 1 119 119 ALA CA C 13 51.898 0.3 . 1 . . . . . 111 ALA CA . 52158 2 555 . 1 . 1 119 119 ALA CB C 13 20.924 0.3 . 1 . . . . . 111 ALA CB . 52158 2 556 . 1 . 1 119 119 ALA N N 15 126.795 0.15 . 1 . . . . . 111 ALA N . 52158 2 557 . 1 . 1 120 120 SER H H 1 8.167 0.02 . 1 . . . . . 112 SER H . 52158 2 558 . 1 . 1 120 120 SER C C 13 175.024 0.1 . 1 . . . . . 112 SER C . 52158 2 559 . 1 . 1 120 120 SER CA C 13 60.459 0.3 . 1 . . . . . 112 SER CA . 52158 2 560 . 1 . 1 120 120 SER CB C 13 63.435 0.3 . 1 . . . . . 112 SER CB . 52158 2 561 . 1 . 1 120 120 SER N N 15 114.323 0.15 . 1 . . . . . 112 SER N . 52158 2 562 . 1 . 1 121 121 LYS H H 1 7.427 0.02 . 1 . . . . . 113 LYS H . 52158 2 563 . 1 . 1 121 121 LYS C C 13 175.638 0.1 . 1 . . . . . 113 LYS C . 52158 2 564 . 1 . 1 121 121 LYS CA C 13 56.302 0.3 . 1 . . . . . 113 LYS CA . 52158 2 565 . 1 . 1 121 121 LYS CB C 13 31.886 0.3 . 1 . . . . . 113 LYS CB . 52158 2 566 . 1 . 1 121 121 LYS N N 15 122.593 0.15 . 1 . . . . . 113 LYS N . 52158 2 567 . 1 . 1 122 122 SER H H 1 9.005 0.02 . 1 . . . . . 114 SER H . 52158 2 568 . 1 . 1 122 122 SER C C 13 178.375 0.1 . 1 . . . . . 114 SER C . 52158 2 569 . 1 . 1 122 122 SER CA C 13 58.48 0.3 . 1 . . . . . 114 SER CA . 52158 2 570 . 1 . 1 122 122 SER CB C 13 65.467 0.3 . 1 . . . . . 114 SER CB . 52158 2 571 . 1 . 1 122 122 SER N N 15 116.331 0.15 . 1 . . . . . 114 SER N . 52158 2 572 . 1 . 1 123 123 SER H H 1 9.441 0.02 . 1 . . . . . 115 SER H . 52158 2 573 . 1 . 1 123 123 SER C C 13 178.903 0.1 . 1 . . . . . 115 SER C . 52158 2 574 . 1 . 1 123 123 SER CA C 13 62.774 0.3 . 1 . . . . . 115 SER CA . 52158 2 575 . 1 . 1 123 123 SER CB C 13 65.496 0.3 . 1 . . . . . 115 SER CB . 52158 2 576 . 1 . 1 123 123 SER N N 15 126.938 0.15 . 1 . . . . . 115 SER N . 52158 2 577 . 1 . 1 124 124 HIS H H 1 9.001 0.02 . 1 . . . . . 116 HIS H . 52158 2 578 . 1 . 1 124 124 HIS C C 13 181.326 0.1 . 1 . . . . . 116 HIS C . 52158 2 579 . 1 . 1 124 124 HIS CA C 13 60.168 0.3 . 1 . . . . . 116 HIS CA . 52158 2 580 . 1 . 1 124 124 HIS CB C 13 29.784 0.3 . 1 . . . . . 116 HIS CB . 52158 2 581 . 1 . 1 124 124 HIS N N 15 120.645 0.15 . 1 . . . . . 116 HIS N . 52158 2 582 . 1 . 1 125 125 SER H H 1 8.364 0.02 . 1 . . . . . 117 SER H . 52158 2 583 . 1 . 1 125 125 SER C C 13 173.397 0.1 . 1 . . . . . 117 SER C . 52158 2 584 . 1 . 1 125 125 SER CA C 13 60.415 0.3 . 1 . . . . . 117 SER CA . 52158 2 585 . 1 . 1 125 125 SER CB C 13 64.063 0.3 . 1 . . . . . 117 SER CB . 52158 2 586 . 1 . 1 125 125 SER N N 15 119.086 0.15 . 1 . . . . . 117 SER N . 52158 2 587 . 1 . 1 126 126 ARG H H 1 7.41 0.02 . 1 . . . . . 118 ARG H . 52158 2 588 . 1 . 1 126 126 ARG C C 13 179.637 0.1 . 1 . . . . . 118 ARG C . 52158 2 589 . 1 . 1 126 126 ARG CA C 13 56.41 0.3 . 1 . . . . . 118 ARG CA . 52158 2 590 . 1 . 1 126 126 ARG CB C 13 29.605 0.3 . 1 . . . . . 118 ARG CB . 52158 2 591 . 1 . 1 126 126 ARG N N 15 117.18 0.15 . 1 . . . . . 118 ARG N . 52158 2 592 . 1 . 1 127 127 GLY H H 1 7.576 0.02 . 1 . . . . . 119 GLY H . 52158 2 593 . 1 . 1 127 127 GLY C C 13 173.966 0.1 . 1 . . . . . 119 GLY C . 52158 2 594 . 1 . 1 127 127 GLY CA C 13 48.753 0.3 . 1 . . . . . 119 GLY CA . 52158 2 595 . 1 . 1 127 127 GLY N N 15 102.25 0.15 . 1 . . . . . 119 GLY N . 52158 2 596 . 1 . 1 128 128 SER H H 1 8.393 0.02 . 1 . . . . . 120 SER H . 52158 2 597 . 1 . 1 128 128 SER CA C 13 57.369 0.3 . 1 . . . . . 120 SER CA . 52158 2 598 . 1 . 1 128 128 SER CB C 13 63.49 0.3 . 1 . . . . . 120 SER CB . 52158 2 599 . 1 . 1 128 128 SER N N 15 113.651 0.15 . 1 . . . . . 120 SER N . 52158 2 600 . 1 . 1 129 129 ALA C C 13 175.428 0.1 . 1 . . . . . 121 ALA C . 52158 2 601 . 1 . 1 129 129 ALA CA C 13 50.099 0.3 . 1 . . . . . 121 ALA CA . 52158 2 602 . 1 . 1 129 129 ALA CB C 13 21.337 0.3 . 1 . . . . . 121 ALA CB . 52158 2 603 . 1 . 1 130 130 ILE H H 1 9.056 0.02 . 1 . . . . . 122 ILE H . 52158 2 604 . 1 . 1 130 130 ILE C C 13 170.389 0.1 . 1 . . . . . 122 ILE C . 52158 2 605 . 1 . 1 130 130 ILE CA C 13 56.685 0.3 . 1 . . . . . 122 ILE CA . 52158 2 606 . 1 . 1 130 130 ILE CB C 13 44.581 0.3 . 1 . . . . . 122 ILE CB . 52158 2 607 . 1 . 1 130 130 ILE N N 15 117.741 0.15 . 1 . . . . . 122 ILE N . 52158 2 608 . 1 . 1 131 131 ASP H H 1 8.834 0.02 . 1 . . . . . 123 ASP H . 52158 2 609 . 1 . 1 131 131 ASP C C 13 176.088 0.1 . 1 . . . . . 123 ASP C . 52158 2 610 . 1 . 1 131 131 ASP CA C 13 53.091 0.3 . 1 . . . . . 123 ASP CA . 52158 2 611 . 1 . 1 131 131 ASP CB C 13 44.091 0.3 . 1 . . . . . 123 ASP CB . 52158 2 612 . 1 . 1 131 131 ASP N N 15 126.937 0.15 . 1 . . . . . 123 ASP N . 52158 2 613 . 1 . 1 132 132 LEU H H 1 9.619 0.02 . 1 . . . . . 124 LEU H . 52158 2 614 . 1 . 1 132 132 LEU C C 13 171.514 0.1 . 1 . . . . . 124 LEU C . 52158 2 615 . 1 . 1 132 132 LEU CA C 13 56.136 0.3 . 1 . . . . . 124 LEU CA . 52158 2 616 . 1 . 1 132 132 LEU CB C 13 45.369 0.3 . 1 . . . . . 124 LEU CB . 52158 2 617 . 1 . 1 132 132 LEU N N 15 127.79 0.15 . 1 . . . . . 124 LEU N . 52158 2 618 . 1 . 1 133 133 THR H H 1 7.751 0.02 . 1 . . . . . 125 THR H . 52158 2 619 . 1 . 1 133 133 THR C C 13 173.399 0.1 . 1 . . . . . 125 THR C . 52158 2 620 . 1 . 1 133 133 THR CA C 13 59.31 0.3 . 1 . . . . . 125 THR CA . 52158 2 621 . 1 . 1 133 133 THR CB C 13 70.127 0.3 . 1 . . . . . 125 THR CB . 52158 2 622 . 1 . 1 133 133 THR N N 15 106.164 0.15 . 1 . . . . . 125 THR N . 52158 2 623 . 1 . 1 134 134 LEU H H 1 7.981 0.02 . 1 . . . . . 126 LEU H . 52158 2 624 . 1 . 1 134 134 LEU C C 13 177.268 0.1 . 1 . . . . . 126 LEU C . 52158 2 625 . 1 . 1 134 134 LEU CA C 13 53.107 0.3 . 1 . . . . . 126 LEU CA . 52158 2 626 . 1 . 1 134 134 LEU CB C 13 45.721 0.3 . 1 . . . . . 126 LEU CB . 52158 2 627 . 1 . 1 134 134 LEU N N 15 116.259 0.15 . 1 . . . . . 126 LEU N . 52158 2 628 . 1 . 1 135 135 TYR H H 1 8.433 0.02 . 1 . . . . . 127 TYR H . 52158 2 629 . 1 . 1 135 135 TYR C C 13 174.414 0.1 . 1 . . . . . 127 TYR C . 52158 2 630 . 1 . 1 135 135 TYR CA C 13 56.942 0.3 . 1 . . . . . 127 TYR CA . 52158 2 631 . 1 . 1 135 135 TYR CB C 13 42.409 0.3 . 1 . . . . . 127 TYR CB . 52158 2 632 . 1 . 1 135 135 TYR N N 15 116.853 0.15 . 1 . . . . . 127 TYR N . 52158 2 633 . 1 . 1 136 136 ARG H H 1 9.48 0.02 . 1 . . . . . 128 ARG H . 52158 2 634 . 1 . 1 136 136 ARG C C 13 177.728 0.1 . 1 . . . . . 128 ARG C . 52158 2 635 . 1 . 1 136 136 ARG CA C 13 56.697 0.3 . 1 . . . . . 128 ARG CA . 52158 2 636 . 1 . 1 136 136 ARG CB C 13 30.786 0.3 . 1 . . . . . 128 ARG CB . 52158 2 637 . 1 . 1 136 136 ARG N N 15 122.102 0.15 . 1 . . . . . 128 ARG N . 52158 2 638 . 1 . 1 137 137 LEU H H 1 8.278 0.02 . 1 . . . . . 129 LEU H . 52158 2 639 . 1 . 1 137 137 LEU C C 13 178.993 0.1 . 1 . . . . . 129 LEU C . 52158 2 640 . 1 . 1 137 137 LEU CA C 13 57.854 0.3 . 1 . . . . . 129 LEU CA . 52158 2 641 . 1 . 1 137 137 LEU CB C 13 41.135 0.3 . 1 . . . . . 129 LEU CB . 52158 2 642 . 1 . 1 137 137 LEU N N 15 122.566 0.15 . 1 . . . . . 129 LEU N . 52158 2 643 . 1 . 1 138 138 ASP H H 1 8.792 0.02 . 1 . . . . . 130 ASP H . 52158 2 644 . 1 . 1 138 138 ASP C C 13 178.915 0.1 . 1 . . . . . 130 ASP C . 52158 2 645 . 1 . 1 138 138 ASP CA C 13 56.94 0.3 . 1 . . . . . 130 ASP CA . 52158 2 646 . 1 . 1 138 138 ASP CB C 13 38.675 0.3 . 1 . . . . . 130 ASP CB . 52158 2 647 . 1 . 1 138 138 ASP N N 15 117.39 0.15 . 1 . . . . . 130 ASP N . 52158 2 648 . 1 . 1 139 139 THR H H 1 8.499 0.02 . 1 . . . . . 131 THR H . 52158 2 649 . 1 . 1 139 139 THR C C 13 176.882 0.1 . 1 . . . . . 131 THR C . 52158 2 650 . 1 . 1 139 139 THR CA C 13 62.113 0.3 . 1 . . . . . 131 THR CA . 52158 2 651 . 1 . 1 139 139 THR CB C 13 70.918 0.3 . 1 . . . . . 131 THR CB . 52158 2 652 . 1 . 1 139 139 THR N N 15 109.712 0.15 . 1 . . . . . 131 THR N . 52158 2 653 . 1 . 1 140 140 GLY H H 1 7.849 0.02 . 1 . . . . . 132 GLY H . 52158 2 654 . 1 . 1 140 140 GLY C C 13 174.281 0.1 . 1 . . . . . 132 GLY C . 52158 2 655 . 1 . 1 140 140 GLY CA C 13 46.987 0.3 . 1 . . . . . 132 GLY CA . 52158 2 656 . 1 . 1 140 140 GLY N N 15 111.286 0.15 . 1 . . . . . 132 GLY N . 52158 2 657 . 1 . 1 141 141 GLU H H 1 7.643 0.02 . 1 . . . . . 133 GLU H . 52158 2 658 . 1 . 1 141 141 GLU C C 13 177.334 0.1 . 1 . . . . . 133 GLU C . 52158 2 659 . 1 . 1 141 141 GLU CA C 13 57.213 0.3 . 1 . . . . . 133 GLU CA . 52158 2 660 . 1 . 1 141 141 GLU CB C 13 31.195 0.3 . 1 . . . . . 133 GLU CB . 52158 2 661 . 1 . 1 141 141 GLU N N 15 117.875 0.15 . 1 . . . . . 133 GLU N . 52158 2 662 . 1 . 1 142 142 LEU H H 1 8.76 0.02 . 1 . . . . . 134 LEU H . 52158 2 663 . 1 . 1 142 142 LEU C C 13 177.906 0.1 . 1 . . . . . 134 LEU C . 52158 2 664 . 1 . 1 142 142 LEU CA C 13 56.618 0.3 . 1 . . . . . 134 LEU CA . 52158 2 665 . 1 . 1 142 142 LEU CB C 13 41.134 0.3 . 1 . . . . . 134 LEU CB . 52158 2 666 . 1 . 1 142 142 LEU N N 15 124.316 0.15 . 1 . . . . . 134 LEU N . 52158 2 667 . 1 . 1 143 143 VAL H H 1 7.354 0.02 . 1 . . . . . 135 VAL H . 52158 2 668 . 1 . 1 143 143 VAL C C 13 174.395 0.1 . 1 . . . . . 135 VAL C . 52158 2 669 . 1 . 1 143 143 VAL CA C 13 60.662 0.3 . 1 . . . . . 135 VAL CA . 52158 2 670 . 1 . 1 143 143 VAL CB C 13 32.049 0.3 . 1 . . . . . 135 VAL CB . 52158 2 671 . 1 . 1 143 143 VAL N N 15 124.479 0.15 . 1 . . . . . 135 VAL N . 52158 2 672 . 1 . 1 144 144 PRO C C 13 177.143 0.1 . 1 . . . . . 136 PRO C . 52158 2 673 . 1 . 1 144 144 PRO CA C 13 64.437 0.3 . 1 . . . . . 136 PRO CA . 52158 2 674 . 1 . 1 144 144 PRO CB C 13 31.649 0.3 . 1 . . . . . 136 PRO CB . 52158 2 675 . 1 . 1 145 145 MET H H 1 7.982 0.02 . 1 . . . . . 137 MET H . 52158 2 676 . 1 . 1 145 145 MET C C 13 179.316 0.1 . 1 . . . . . 137 MET C . 52158 2 677 . 1 . 1 145 145 MET CA C 13 53.96 0.3 . 1 . . . . . 137 MET CA . 52158 2 678 . 1 . 1 145 145 MET CB C 13 33.088 0.3 . 1 . . . . . 137 MET CB . 52158 2 679 . 1 . 1 145 145 MET N N 15 120.822 0.15 . 1 . . . . . 137 MET N . 52158 2 680 . 1 . 1 146 146 GLY H H 1 8.855 0.02 . 1 . . . . . 138 GLY H . 52158 2 681 . 1 . 1 146 146 GLY C C 13 172.787 0.1 . 1 . . . . . 138 GLY C . 52158 2 682 . 1 . 1 146 146 GLY CA C 13 46.875 0.3 . 1 . . . . . 138 GLY CA . 52158 2 683 . 1 . 1 146 146 GLY N N 15 113.051 0.15 . 1 . . . . . 138 GLY N . 52158 2 684 . 1 . 1 147 147 SER H H 1 7.141 0.02 . 1 . . . . . 139 SER H . 52158 2 685 . 1 . 1 147 147 SER C C 13 173.198 0.1 . 1 . . . . . 139 SER C . 52158 2 686 . 1 . 1 147 147 SER CA C 13 58.111 0.3 . 1 . . . . . 139 SER CA . 52158 2 687 . 1 . 1 147 147 SER CB C 13 65.987 0.3 . 1 . . . . . 139 SER CB . 52158 2 688 . 1 . 1 147 147 SER N N 15 109.497 0.15 . 1 . . . . . 139 SER N . 52158 2 689 . 1 . 1 148 148 ARG H H 1 7.865 0.02 . 1 . . . . . 140 ARG H . 52158 2 690 . 1 . 1 148 148 ARG C C 13 174.71 0.1 . 1 . . . . . 140 ARG C . 52158 2 691 . 1 . 1 148 148 ARG CA C 13 55.482 0.3 . 1 . . . . . 140 ARG CA . 52158 2 692 . 1 . 1 148 148 ARG CB C 13 31.877 0.3 . 1 . . . . . 140 ARG CB . 52158 2 693 . 1 . 1 148 148 ARG N N 15 118.449 0.15 . 1 . . . . . 140 ARG N . 52158 2 694 . 1 . 1 149 149 PHE H H 1 7.533 0.02 . 1 . . . . . 141 PHE H . 52158 2 695 . 1 . 1 149 149 PHE C C 13 175.804 0.1 . 1 . . . . . 141 PHE C . 52158 2 696 . 1 . 1 149 149 PHE CA C 13 58.082 0.3 . 1 . . . . . 141 PHE CA . 52158 2 697 . 1 . 1 149 149 PHE CB C 13 36.369 0.3 . 1 . . . . . 141 PHE CB . 52158 2 698 . 1 . 1 149 149 PHE N N 15 117.633 0.15 . 1 . . . . . 141 PHE N . 52158 2 699 . 1 . 1 150 150 ASP C C 13 170.258 0.1 . 1 . . . . . 142 ASP C . 52158 2 700 . 1 . 1 150 150 ASP CA C 13 54.156 0.3 . 1 . . . . . 142 ASP CA . 52158 2 701 . 1 . 1 150 150 ASP CB C 13 33.793 0.3 . 1 . . . . . 142 ASP CB . 52158 2 702 . 1 . 1 151 151 PHE H H 1 7.167 0.02 . 1 . . . . . 143 PHE H . 52158 2 703 . 1 . 1 151 151 PHE C C 13 175.414 0.1 . 1 . . . . . 143 PHE C . 52158 2 704 . 1 . 1 151 151 PHE CA C 13 58.561 0.3 . 1 . . . . . 143 PHE CA . 52158 2 705 . 1 . 1 151 151 PHE CB C 13 38.69 0.3 . 1 . . . . . 143 PHE CB . 52158 2 706 . 1 . 1 151 151 PHE N N 15 115.229 0.15 . 1 . . . . . 143 PHE N . 52158 2 707 . 1 . 1 152 152 MET H H 1 9.162 0.02 . 1 . . . . . 144 MET H . 52158 2 708 . 1 . 1 152 152 MET C C 13 170.929 0.1 . 1 . . . . . 144 MET C . 52158 2 709 . 1 . 1 152 152 MET CA C 13 54.163 0.3 . 1 . . . . . 144 MET CA . 52158 2 710 . 1 . 1 152 152 MET CB C 13 28.015 0.3 . 1 . . . . . 144 MET CB . 52158 2 711 . 1 . 1 152 152 MET N N 15 130.811 0.15 . 1 . . . . . 144 MET N . 52158 2 712 . 1 . 1 153 153 ASP H H 1 6.786 0.02 . 1 . . . . . 145 ASP H . 52158 2 713 . 1 . 1 153 153 ASP C C 13 175.38 0.1 . 1 . . . . . 145 ASP C . 52158 2 714 . 1 . 1 153 153 ASP CA C 13 54.064 0.3 . 1 . . . . . 145 ASP CA . 52158 2 715 . 1 . 1 153 153 ASP CB C 13 49.449 0.3 . 1 . . . . . 145 ASP CB . 52158 2 716 . 1 . 1 153 153 ASP N N 15 120.964 0.15 . 1 . . . . . 145 ASP N . 52158 2 717 . 1 . 1 154 154 GLU H H 1 8.298 0.02 . 1 . . . . . 146 GLU H . 52158 2 718 . 1 . 1 154 154 GLU C C 13 178.071 0.1 . 1 . . . . . 146 GLU C . 52158 2 719 . 1 . 1 154 154 GLU CA C 13 59.904 0.3 . 1 . . . . . 146 GLU CA . 52158 2 720 . 1 . 1 154 154 GLU CB C 13 28.989 0.3 . 1 . . . . . 146 GLU CB . 52158 2 721 . 1 . 1 154 154 GLU N N 15 124.484 0.15 . 1 . . . . . 146 GLU N . 52158 2 722 . 1 . 1 155 155 ARG H H 1 9.624 0.02 . 1 . . . . . 147 ARG H . 52158 2 723 . 1 . 1 155 155 ARG C C 13 179.393 0.1 . 1 . . . . . 147 ARG C . 52158 2 724 . 1 . 1 155 155 ARG CA C 13 59.465 0.3 . 1 . . . . . 147 ARG CA . 52158 2 725 . 1 . 1 155 155 ARG CB C 13 31.112 0.3 . 1 . . . . . 147 ARG CB . 52158 2 726 . 1 . 1 155 155 ARG N N 15 118.825 0.15 . 1 . . . . . 147 ARG N . 52158 2 727 . 1 . 1 156 156 SER H H 1 8.456 0.02 . 1 . . . . . 148 SER H . 52158 2 728 . 1 . 1 156 156 SER C C 13 172.555 0.1 . 1 . . . . . 148 SER C . 52158 2 729 . 1 . 1 156 156 SER CA C 13 60.162 0.3 . 1 . . . . . 148 SER CA . 52158 2 730 . 1 . 1 156 156 SER CB C 13 64.073 0.3 . 1 . . . . . 148 SER CB . 52158 2 731 . 1 . 1 156 156 SER N N 15 115.736 0.15 . 1 . . . . . 148 SER N . 52158 2 732 . 1 . 1 157 157 HIS H H 1 7.815 0.02 . 1 . . . . . 149 HIS H . 52158 2 733 . 1 . 1 157 157 HIS C C 13 177.897 0.1 . 1 . . . . . 149 HIS C . 52158 2 734 . 1 . 1 157 157 HIS CA C 13 54.885 0.3 . 1 . . . . . 149 HIS CA . 52158 2 735 . 1 . 1 157 157 HIS CB C 13 28.906 0.3 . 1 . . . . . 149 HIS CB . 52158 2 736 . 1 . 1 157 157 HIS N N 15 119.114 0.15 . 1 . . . . . 149 HIS N . 52158 2 737 . 1 . 1 158 158 HIS H H 1 8.403 0.02 . 1 . . . . . 150 HIS H . 52158 2 738 . 1 . 1 158 158 HIS C C 13 177.779 0.1 . 1 . . . . . 150 HIS C . 52158 2 739 . 1 . 1 158 158 HIS CA C 13 62.293 0.3 . 1 . . . . . 150 HIS CA . 52158 2 740 . 1 . 1 158 158 HIS CB C 13 31.449 0.3 . 1 . . . . . 150 HIS CB . 52158 2 741 . 1 . 1 158 158 HIS N N 15 122.341 0.15 . 1 . . . . . 150 HIS N . 52158 2 742 . 1 . 1 159 159 ALA H H 1 8.967 0.02 . 1 . . . . . 151 ALA H . 52158 2 743 . 1 . 1 159 159 ALA C C 13 176.913 0.1 . 1 . . . . . 151 ALA C . 52158 2 744 . 1 . 1 159 159 ALA CA C 13 53.073 0.3 . 1 . . . . . 151 ALA CA . 52158 2 745 . 1 . 1 159 159 ALA CB C 13 17.226 0.3 . 1 . . . . . 151 ALA CB . 52158 2 746 . 1 . 1 159 159 ALA N N 15 121.508 0.15 . 1 . . . . . 151 ALA N . 52158 2 747 . 1 . 1 160 160 ALA H H 1 7.189 0.02 . 1 . . . . . 152 ALA H . 52158 2 748 . 1 . 1 160 160 ALA C C 13 178.342 0.1 . 1 . . . . . 152 ALA C . 52158 2 749 . 1 . 1 160 160 ALA CA C 13 53.862 0.3 . 1 . . . . . 152 ALA CA . 52158 2 750 . 1 . 1 160 160 ALA CB C 13 20.414 0.3 . 1 . . . . . 152 ALA CB . 52158 2 751 . 1 . 1 160 160 ALA N N 15 121.249 0.15 . 1 . . . . . 152 ALA N . 52158 2 752 . 1 . 1 161 161 ASN H H 1 8.451 0.02 . 1 . . . . . 153 ASN H . 52158 2 753 . 1 . 1 161 161 ASN C C 13 177.023 0.1 . 1 . . . . . 153 ASN C . 52158 2 754 . 1 . 1 161 161 ASN CA C 13 53.924 0.3 . 1 . . . . . 153 ASN CA . 52158 2 755 . 1 . 1 161 161 ASN CB C 13 39.414 0.3 . 1 . . . . . 153 ASN CB . 52158 2 756 . 1 . 1 161 161 ASN N N 15 118.74 0.15 . 1 . . . . . 153 ASN N . 52158 2 757 . 1 . 1 162 162 GLY H H 1 8.63 0.02 . 1 . . . . . 154 GLY H . 52158 2 758 . 1 . 1 162 162 GLY C C 13 174.881 0.1 . 1 . . . . . 154 GLY C . 52158 2 759 . 1 . 1 162 162 GLY CA C 13 46.66 0.3 . 1 . . . . . 154 GLY CA . 52158 2 760 . 1 . 1 162 162 GLY N N 15 108.712 0.15 . 1 . . . . . 154 GLY N . 52158 2 761 . 1 . 1 163 163 ILE H H 1 6.783 0.02 . 1 . . . . . 155 ILE H . 52158 2 762 . 1 . 1 163 163 ILE C C 13 176.13 0.1 . 1 . . . . . 155 ILE C . 52158 2 763 . 1 . 1 163 163 ILE CA C 13 60.163 0.3 . 1 . . . . . 155 ILE CA . 52158 2 764 . 1 . 1 163 163 ILE CB C 13 38.043 0.3 . 1 . . . . . 155 ILE CB . 52158 2 765 . 1 . 1 163 163 ILE N N 15 112.783 0.15 . 1 . . . . . 155 ILE N . 52158 2 766 . 1 . 1 164 164 SER H H 1 8.94 0.02 . 1 . . . . . 156 SER H . 52158 2 767 . 1 . 1 164 164 SER C C 13 175.494 0.1 . 1 . . . . . 156 SER C . 52158 2 768 . 1 . 1 164 164 SER CA C 13 58.882 0.3 . 1 . . . . . 156 SER CA . 52158 2 769 . 1 . 1 164 164 SER CB C 13 64.954 0.3 . 1 . . . . . 156 SER CB . 52158 2 770 . 1 . 1 164 164 SER N N 15 120.41 0.15 . 1 . . . . . 156 SER N . 52158 2 771 . 1 . 1 165 165 SER H H 1 8.966 0.02 . 1 . . . . . 157 SER H . 52158 2 772 . 1 . 1 165 165 SER C C 13 177.973 0.1 . 1 . . . . . 157 SER C . 52158 2 773 . 1 . 1 165 165 SER CA C 13 62.198 0.3 . 1 . . . . . 157 SER CA . 52158 2 774 . 1 . 1 165 165 SER N N 15 117.382 0.15 . 1 . . . . . 157 SER N . 52158 2 775 . 1 . 1 166 166 ASN H H 1 8.431 0.02 . 1 . . . . . 158 ASN H . 52158 2 776 . 1 . 1 166 166 ASN C C 13 177.208 0.1 . 1 . . . . . 158 ASN C . 52158 2 777 . 1 . 1 166 166 ASN CA C 13 57.296 0.3 . 1 . . . . . 158 ASN CA . 52158 2 778 . 1 . 1 166 166 ASN CB C 13 38.077 0.3 . 1 . . . . . 158 ASN CB . 52158 2 779 . 1 . 1 166 166 ASN N N 15 119.603 0.15 . 1 . . . . . 158 ASN N . 52158 2 780 . 1 . 1 167 167 GLU H H 1 7.499 0.02 . 1 . . . . . 159 GLU H . 52158 2 781 . 1 . 1 167 167 GLU C C 13 178.805 0.1 . 1 . . . . . 159 GLU C . 52158 2 782 . 1 . 1 167 167 GLU CA C 13 58.639 0.3 . 1 . . . . . 159 GLU CA . 52158 2 783 . 1 . 1 167 167 GLU CB C 13 28.627 0.3 . 1 . . . . . 159 GLU CB . 52158 2 784 . 1 . 1 167 167 GLU N N 15 120.925 0.15 . 1 . . . . . 159 GLU N . 52158 2 785 . 1 . 1 168 168 ALA H H 1 8.442 0.02 . 1 . . . . . 160 ALA H . 52158 2 786 . 1 . 1 168 168 ALA C C 13 181.77 0.1 . 1 . . . . . 160 ALA C . 52158 2 787 . 1 . 1 168 168 ALA CA C 13 56.111 0.3 . 1 . . . . . 160 ALA CA . 52158 2 788 . 1 . 1 168 168 ALA CB C 13 17.832 0.3 . 1 . . . . . 160 ALA CB . 52158 2 789 . 1 . 1 168 168 ALA N N 15 121.448 0.15 . 1 . . . . . 160 ALA N . 52158 2 790 . 1 . 1 169 169 GLN H H 1 8.157 0.02 . 1 . . . . . 161 GLN H . 52158 2 791 . 1 . 1 169 169 GLN C C 13 178.871 0.1 . 1 . . . . . 161 GLN C . 52158 2 792 . 1 . 1 169 169 GLN CA C 13 59.503 0.3 . 1 . . . . . 161 GLN CA . 52158 2 793 . 1 . 1 169 169 GLN CB C 13 28.105 0.3 . 1 . . . . . 161 GLN CB . 52158 2 794 . 1 . 1 169 169 GLN N N 15 119.665 0.15 . 1 . . . . . 161 GLN N . 52158 2 795 . 1 . 1 170 170 ASN H H 1 8.263 0.02 . 1 . . . . . 162 ASN H . 52158 2 796 . 1 . 1 170 170 ASN C C 13 177.85 0.1 . 1 . . . . . 162 ASN C . 52158 2 797 . 1 . 1 170 170 ASN CA C 13 56.778 0.3 . 1 . . . . . 162 ASN CA . 52158 2 798 . 1 . 1 170 170 ASN CB C 13 37.854 0.3 . 1 . . . . . 162 ASN CB . 52158 2 799 . 1 . 1 170 170 ASN N N 15 122.005 0.15 . 1 . . . . . 162 ASN N . 52158 2 800 . 1 . 1 171 171 ARG H H 1 7.935 0.02 . 1 . . . . . 163 ARG H . 52158 2 801 . 1 . 1 171 171 ARG C C 13 178.932 0.1 . 1 . . . . . 163 ARG C . 52158 2 802 . 1 . 1 171 171 ARG CA C 13 60.993 0.3 . 1 . . . . . 163 ARG CA . 52158 2 803 . 1 . 1 171 171 ARG CB C 13 30.931 0.3 . 1 . . . . . 163 ARG CB . 52158 2 804 . 1 . 1 171 171 ARG N N 15 120.719 0.15 . 1 . . . . . 163 ARG N . 52158 2 805 . 1 . 1 172 172 ARG H H 1 7.694 0.02 . 1 . . . . . 164 ARG H . 52158 2 806 . 1 . 1 172 172 ARG C C 13 179.859 0.1 . 1 . . . . . 164 ARG C . 52158 2 807 . 1 . 1 172 172 ARG CA C 13 60.097 0.3 . 1 . . . . . 164 ARG CA . 52158 2 808 . 1 . 1 172 172 ARG CB C 13 29.752 0.3 . 1 . . . . . 164 ARG CB . 52158 2 809 . 1 . 1 172 172 ARG N N 15 119.228 0.15 . 1 . . . . . 164 ARG N . 52158 2 810 . 1 . 1 173 173 ARG H H 1 8.322 0.02 . 1 . . . . . 165 ARG H . 52158 2 811 . 1 . 1 173 173 ARG C C 13 179.368 0.1 . 1 . . . . . 165 ARG C . 52158 2 812 . 1 . 1 173 173 ARG CA C 13 59.812 0.3 . 1 . . . . . 165 ARG CA . 52158 2 813 . 1 . 1 173 173 ARG CB C 13 29.055 0.3 . 1 . . . . . 165 ARG CB . 52158 2 814 . 1 . 1 173 173 ARG N N 15 122.019 0.15 . 1 . . . . . 165 ARG N . 52158 2 815 . 1 . 1 174 174 LEU H H 1 7.601 0.02 . 1 . . . . . 166 LEU H . 52158 2 816 . 1 . 1 174 174 LEU C C 13 177.266 0.1 . 1 . . . . . 166 LEU C . 52158 2 817 . 1 . 1 174 174 LEU CA C 13 59.22 0.3 . 1 . . . . . 166 LEU CA . 52158 2 818 . 1 . 1 174 174 LEU CB C 13 41.053 0.3 . 1 . . . . . 166 LEU CB . 52158 2 819 . 1 . 1 174 174 LEU N N 15 120.286 0.15 . 1 . . . . . 166 LEU N . 52158 2 820 . 1 . 1 175 175 ARG H H 1 8.582 0.02 . 1 . . . . . 167 ARG H . 52158 2 821 . 1 . 1 175 175 ARG C C 13 178.204 0.1 . 1 . . . . . 167 ARG C . 52158 2 822 . 1 . 1 175 175 ARG CA C 13 60.966 0.3 . 1 . . . . . 167 ARG CA . 52158 2 823 . 1 . 1 175 175 ARG CB C 13 29.873 0.3 . 1 . . . . . 167 ARG CB . 52158 2 824 . 1 . 1 175 175 ARG N N 15 118.804 0.15 . 1 . . . . . 167 ARG N . 52158 2 825 . 1 . 1 176 176 SER H H 1 8.398 0.02 . 1 . . . . . 168 SER H . 52158 2 826 . 1 . 1 176 176 SER C C 13 177.724 0.1 . 1 . . . . . 168 SER C . 52158 2 827 . 1 . 1 176 176 SER CA C 13 62.471 0.3 . 1 . . . . . 168 SER CA . 52158 2 828 . 1 . 1 176 176 SER CB C 13 63.113 0.3 . 1 . . . . . 168 SER CB . 52158 2 829 . 1 . 1 176 176 SER N N 15 113.565 0.15 . 1 . . . . . 168 SER N . 52158 2 830 . 1 . 1 177 177 ILE H H 1 7.864 0.02 . 1 . . . . . 169 ILE H . 52158 2 831 . 1 . 1 177 177 ILE C C 13 178.43 0.1 . 1 . . . . . 169 ILE C . 52158 2 832 . 1 . 1 177 177 ILE CA C 13 66.057 0.3 . 1 . . . . . 169 ILE CA . 52158 2 833 . 1 . 1 177 177 ILE CB C 13 38.368 0.3 . 1 . . . . . 169 ILE CB . 52158 2 834 . 1 . 1 177 177 ILE N N 15 123.643 0.15 . 1 . . . . . 169 ILE N . 52158 2 835 . 1 . 1 178 178 MET H H 1 7.818 0.02 . 1 . . . . . 170 MET H . 52158 2 836 . 1 . 1 178 178 MET C C 13 181.556 0.1 . 1 . . . . . 170 MET C . 52158 2 837 . 1 . 1 178 178 MET CA C 13 56.817 0.3 . 1 . . . . . 170 MET CA . 52158 2 838 . 1 . 1 178 178 MET CB C 13 29.003 0.3 . 1 . . . . . 170 MET CB . 52158 2 839 . 1 . 1 178 178 MET N N 15 116.843 0.15 . 1 . . . . . 170 MET N . 52158 2 840 . 1 . 1 179 179 GLU H H 1 9.468 0.02 . 1 . . . . . 171 GLU H . 52158 2 841 . 1 . 1 179 179 GLU C C 13 181.552 0.1 . 1 . . . . . 171 GLU C . 52158 2 842 . 1 . 1 179 179 GLU CA C 13 59.897 0.3 . 1 . . . . . 171 GLU CA . 52158 2 843 . 1 . 1 179 179 GLU CB C 13 28.851 0.3 . 1 . . . . . 171 GLU CB . 52158 2 844 . 1 . 1 179 179 GLU N N 15 124.209 0.15 . 1 . . . . . 171 GLU N . 52158 2 845 . 1 . 1 180 180 ASN H H 1 8.282 0.02 . 1 . . . . . 172 ASN H . 52158 2 846 . 1 . 1 180 180 ASN C C 13 176.133 0.1 . 1 . . . . . 172 ASN C . 52158 2 847 . 1 . 1 180 180 ASN CA C 13 56.116 0.3 . 1 . . . . . 172 ASN CA . 52158 2 848 . 1 . 1 180 180 ASN CB C 13 38.995 0.3 . 1 . . . . . 172 ASN CB . 52158 2 849 . 1 . 1 180 180 ASN N N 15 117.403 0.15 . 1 . . . . . 172 ASN N . 52158 2 850 . 1 . 1 181 181 SER H H 1 7.621 0.02 . 1 . . . . . 173 SER H . 52158 2 851 . 1 . 1 181 181 SER C C 13 173.382 0.1 . 1 . . . . . 173 SER C . 52158 2 852 . 1 . 1 181 181 SER CA C 13 59.337 0.3 . 1 . . . . . 173 SER CA . 52158 2 853 . 1 . 1 181 181 SER CB C 13 63.971 0.3 . 1 . . . . . 173 SER CB . 52158 2 854 . 1 . 1 181 181 SER N N 15 114.269 0.15 . 1 . . . . . 173 SER N . 52158 2 855 . 1 . 1 182 182 GLY H H 1 7.479 0.02 . 1 . . . . . 174 GLY H . 52158 2 856 . 1 . 1 182 182 GLY C C 13 174.806 0.1 . 1 . . . . . 174 GLY C . 52158 2 857 . 1 . 1 182 182 GLY CA C 13 45.397 0.3 . 1 . . . . . 174 GLY CA . 52158 2 858 . 1 . 1 182 182 GLY N N 15 104.236 0.15 . 1 . . . . . 174 GLY N . 52158 2 859 . 1 . 1 183 183 PHE H H 1 8.255 0.02 . 1 . . . . . 175 PHE H . 52158 2 860 . 1 . 1 183 183 PHE C C 13 174.977 0.1 . 1 . . . . . 175 PHE C . 52158 2 861 . 1 . 1 183 183 PHE CA C 13 58.129 0.3 . 1 . . . . . 175 PHE CA . 52158 2 862 . 1 . 1 183 183 PHE CB C 13 41.566 0.3 . 1 . . . . . 175 PHE CB . 52158 2 863 . 1 . 1 183 183 PHE N N 15 118.434 0.15 . 1 . . . . . 175 PHE N . 52158 2 864 . 1 . 1 184 184 GLU H H 1 9.729 0.02 . 1 . . . . . 176 GLU H . 52158 2 865 . 1 . 1 184 184 GLU C C 13 175.923 0.1 . 1 . . . . . 176 GLU C . 52158 2 866 . 1 . 1 184 184 GLU CA C 13 55.09 0.3 . 1 . . . . . 176 GLU CA . 52158 2 867 . 1 . 1 184 184 GLU CB C 13 31.884 0.3 . 1 . . . . . 176 GLU CB . 52158 2 868 . 1 . 1 184 184 GLU N N 15 119.071 0.15 . 1 . . . . . 176 GLU N . 52158 2 869 . 1 . 1 185 185 ALA H H 1 9.094 0.02 . 1 . . . . . 177 ALA H . 52158 2 870 . 1 . 1 185 185 ALA C C 13 176.427 0.1 . 1 . . . . . 177 ALA C . 52158 2 871 . 1 . 1 185 185 ALA CA C 13 51.615 0.3 . 1 . . . . . 177 ALA CA . 52158 2 872 . 1 . 1 185 185 ALA CB C 13 20.943 0.3 . 1 . . . . . 177 ALA CB . 52158 2 873 . 1 . 1 185 185 ALA N N 15 126.466 0.15 . 1 . . . . . 177 ALA N . 52158 2 874 . 1 . 1 186 186 TYR H H 1 9.063 0.02 . 1 . . . . . 178 TYR H . 52158 2 875 . 1 . 1 186 186 TYR C C 13 176.833 0.1 . 1 . . . . . 178 TYR C . 52158 2 876 . 1 . 1 186 186 TYR CA C 13 55.075 0.3 . 1 . . . . . 178 TYR CA . 52158 2 877 . 1 . 1 186 186 TYR CB C 13 41.607 0.3 . 1 . . . . . 178 TYR CB . 52158 2 878 . 1 . 1 186 186 TYR N N 15 121.839 0.15 . 1 . . . . . 178 TYR N . 52158 2 879 . 1 . 1 187 187 SER H H 1 8.934 0.02 . 1 . . . . . 179 SER H . 52158 2 880 . 1 . 1 187 187 SER CA C 13 41.580 0.3 . 1 . . . . . 179 SER CA . 52158 2 881 . 1 . 1 187 187 SER CB C 13 63.052 0.3 . 1 . . . . . 179 SER CB . 52158 2 882 . 1 . 1 187 187 SER N N 15 122.882 0.15 . 1 . . . . . 179 SER N . 52158 2 883 . 1 . 1 188 188 LEU C C 13 175.466 0.1 . 1 . . . . . 180 LEU C . 52158 2 884 . 1 . 1 188 188 LEU CA C 13 56.542 0.3 . 1 . . . . . 180 LEU CA . 52158 2 885 . 1 . 1 188 188 LEU CB C 13 43.03 0.3 . 1 . . . . . 180 LEU CB . 52158 2 886 . 1 . 1 189 189 GLU H H 1 6.494 0.02 . 1 . . . . . 181 GLU H . 52158 2 887 . 1 . 1 189 189 GLU C C 13 176.491 0.1 . 1 . . . . . 181 GLU C . 52158 2 888 . 1 . 1 189 189 GLU CA C 13 53.413 0.3 . 1 . . . . . 181 GLU CA . 52158 2 889 . 1 . 1 189 189 GLU CB C 13 31.195 0.3 . 1 . . . . . 181 GLU CB . 52158 2 890 . 1 . 1 189 189 GLU N N 15 110.749 0.15 . 1 . . . . . 181 GLU N . 52158 2 891 . 1 . 1 190 190 TRP H H 1 7.303 0.02 . 1 . . . . . 182 TRP H . 52158 2 892 . 1 . 1 190 190 TRP C C 13 174.467 0.1 . 1 . . . . . 182 TRP C . 52158 2 893 . 1 . 1 190 190 TRP CA C 13 59.048 0.3 . 1 . . . . . 182 TRP CA . 52158 2 894 . 1 . 1 190 190 TRP CB C 13 29.039 0.3 . 1 . . . . . 182 TRP CB . 52158 2 895 . 1 . 1 190 190 TRP N N 15 122.012 0.15 . 1 . . . . . 182 TRP N . 52158 2 896 . 1 . 1 191 191 TRP H H 1 5.399 0.02 . 1 . . . . . 183 TRP H . 52158 2 897 . 1 . 1 191 191 TRP C C 13 175.004 0.1 . 1 . . . . . 183 TRP C . 52158 2 898 . 1 . 1 191 191 TRP CA C 13 59.56 0.3 . 1 . . . . . 183 TRP CA . 52158 2 899 . 1 . 1 191 191 TRP CB C 13 28.31 0.3 . 1 . . . . . 183 TRP CB . 52158 2 900 . 1 . 1 191 191 TRP N N 15 115.471 0.15 . 1 . . . . . 183 TRP N . 52158 2 901 . 1 . 1 192 192 HIS H H 1 6.235 0.02 . 1 . . . . . 184 HIS H . 52158 2 902 . 1 . 1 192 192 HIS C C 13 174.084 0.1 . 1 . . . . . 184 HIS C . 52158 2 903 . 1 . 1 192 192 HIS CA C 13 57.807 0.3 . 1 . . . . . 184 HIS CA . 52158 2 904 . 1 . 1 192 192 HIS CB C 13 33.455 0.3 . 1 . . . . . 184 HIS CB . 52158 2 905 . 1 . 1 192 192 HIS N N 15 121.961 0.15 . 1 . . . . . 184 HIS N . 52158 2 906 . 1 . 1 193 193 TYR H H 1 8.557 0.02 . 1 . . . . . 185 TYR H . 52158 2 907 . 1 . 1 193 193 TYR C C 13 173.92 0.1 . 1 . . . . . 185 TYR C . 52158 2 908 . 1 . 1 193 193 TYR CA C 13 57.797 0.3 . 1 . . . . . 185 TYR CA . 52158 2 909 . 1 . 1 193 193 TYR CB C 13 43.152 0.3 . 1 . . . . . 185 TYR CB . 52158 2 910 . 1 . 1 193 193 TYR N N 15 124.798 0.15 . 1 . . . . . 185 TYR N . 52158 2 911 . 1 . 1 194 194 VAL H H 1 8.503 0.02 . 1 . . . . . 186 VAL H . 52158 2 912 . 1 . 1 194 194 VAL C C 13 174.96 0.1 . 1 . . . . . 186 VAL C . 52158 2 913 . 1 . 1 194 194 VAL CA C 13 60.357 0.3 . 1 . . . . . 186 VAL CA . 52158 2 914 . 1 . 1 194 194 VAL CB C 13 35.535 0.3 . 1 . . . . . 186 VAL CB . 52158 2 915 . 1 . 1 194 194 VAL N N 15 118.81 0.15 . 1 . . . . . 186 VAL N . 52158 2 916 . 1 . 1 195 195 LEU H H 1 8.324 0.02 . 1 . . . . . 187 LEU H . 52158 2 917 . 1 . 1 195 195 LEU C C 13 176.791 0.1 . 1 . . . . . 187 LEU C . 52158 2 918 . 1 . 1 195 195 LEU CA C 13 56.83 0.3 . 1 . . . . . 187 LEU CA . 52158 2 919 . 1 . 1 195 195 LEU CB C 13 43.161 0.3 . 1 . . . . . 187 LEU CB . 52158 2 920 . 1 . 1 195 195 LEU N N 15 129.367 0.15 . 1 . . . . . 187 LEU N . 52158 2 921 . 1 . 1 196 196 ARG H H 1 8.175 0.02 . 1 . . . . . 188 ARG H . 52158 2 922 . 1 . 1 196 196 ARG C C 13 176.943 0.1 . 1 . . . . . 188 ARG C . 52158 2 923 . 1 . 1 196 196 ARG CA C 13 59.304 0.3 . 1 . . . . . 188 ARG CA . 52158 2 924 . 1 . 1 196 196 ARG CB C 13 30.162 0.3 . 1 . . . . . 188 ARG CB . 52158 2 925 . 1 . 1 196 196 ARG N N 15 123.451 0.15 . 1 . . . . . 188 ARG N . 52158 2 926 . 1 . 1 197 197 ASP H H 1 8.356 0.02 . 1 . . . . . 189 ASP H . 52158 2 927 . 1 . 1 197 197 ASP C C 13 174.972 0.1 . 1 . . . . . 189 ASP C . 52158 2 928 . 1 . 1 197 197 ASP CA C 13 53.278 0.3 . 1 . . . . . 189 ASP CA . 52158 2 929 . 1 . 1 197 197 ASP CB C 13 38.588 0.3 . 1 . . . . . 189 ASP CB . 52158 2 930 . 1 . 1 197 197 ASP N N 15 119.261 0.15 . 1 . . . . . 189 ASP N . 52158 2 931 . 1 . 1 198 198 GLU H H 1 7.592 0.02 . 1 . . . . . 190 GLU H . 52158 2 932 . 1 . 1 198 198 GLU C C 13 174.521 0.1 . 1 . . . . . 190 GLU C . 52158 2 933 . 1 . 1 198 198 GLU CA C 13 54.26 0.3 . 1 . . . . . 190 GLU CA . 52158 2 934 . 1 . 1 198 198 GLU CB C 13 29.705 0.3 . 1 . . . . . 190 GLU CB . 52158 2 935 . 1 . 1 198 198 GLU N N 15 118.676 0.15 . 1 . . . . . 190 GLU N . 52158 2 936 . 1 . 1 199 199 PRO C C 13 177.347 0.1 . 1 . . . . . 191 PRO C . 52158 2 937 . 1 . 1 199 199 PRO CA C 13 64.528 0.3 . 1 . . . . . 191 PRO CA . 52158 2 938 . 1 . 1 199 199 PRO CB C 13 30.824 0.3 . 1 . . . . . 191 PRO CB . 52158 2 939 . 1 . 1 200 200 TYR H H 1 7.415 0.02 . 1 . . . . . 192 TYR H . 52158 2 940 . 1 . 1 200 200 TYR C C 13 173.228 0.1 . 1 . . . . . 192 TYR C . 52158 2 941 . 1 . 1 200 200 TYR CA C 13 54.926 0.3 . 1 . . . . . 192 TYR CA . 52158 2 942 . 1 . 1 200 200 TYR CB C 13 38.192 0.3 . 1 . . . . . 192 TYR CB . 52158 2 943 . 1 . 1 200 200 TYR N N 15 115.55 0.15 . 1 . . . . . 192 TYR N . 52158 2 944 . 1 . 1 201 201 PRO C C 13 176.461 0.1 . 1 . . . . . 193 PRO C . 52158 2 945 . 1 . 1 201 201 PRO CA C 13 65.373 0.3 . 1 . . . . . 193 PRO CA . 52158 2 946 . 1 . 1 201 201 PRO CB C 13 31.984 0.3 . 1 . . . . . 193 PRO CB . 52158 2 947 . 1 . 1 202 202 ASN H H 1 8.525 0.02 . 1 . . . . . 194 ASN H . 52158 2 948 . 1 . 1 202 202 ASN C C 13 174.768 0.1 . 1 . . . . . 194 ASN C . 52158 2 949 . 1 . 1 202 202 ASN CA C 13 53.004 0.3 . 1 . . . . . 194 ASN CA . 52158 2 950 . 1 . 1 202 202 ASN CB C 13 40.759 0.3 . 1 . . . . . 194 ASN CB . 52158 2 951 . 1 . 1 202 202 ASN N N 15 114.685 0.15 . 1 . . . . . 194 ASN N . 52158 2 952 . 1 . 1 203 203 SER H H 1 6.708 0.02 . 1 . . . . . 195 SER H . 52158 2 953 . 1 . 1 203 203 SER C C 13 168.73 0.1 . 1 . . . . . 195 SER C . 52158 2 954 . 1 . 1 203 203 SER CA C 13 58.324 0.3 . 1 . . . . . 195 SER CA . 52158 2 955 . 1 . 1 203 203 SER CB C 13 65.181 0.3 . 1 . . . . . 195 SER CB . 52158 2 956 . 1 . 1 203 203 SER N N 15 116.537 0.15 . 1 . . . . . 195 SER N . 52158 2 957 . 1 . 1 204 204 TYR H H 1 7.822 0.02 . 1 . . . . . 196 TYR H . 52158 2 958 . 1 . 1 204 204 TYR C C 13 175.666 0.1 . 1 . . . . . 196 TYR C . 52158 2 959 . 1 . 1 204 204 TYR CA C 13 57.189 0.3 . 1 . . . . . 196 TYR CA . 52158 2 960 . 1 . 1 204 204 TYR CB C 13 39.257 0.3 . 1 . . . . . 196 TYR CB . 52158 2 961 . 1 . 1 204 204 TYR N N 15 119.931 0.15 . 1 . . . . . 196 TYR N . 52158 2 962 . 1 . 1 205 205 PHE H H 1 8.177 0.02 . 1 . . . . . 197 PHE H . 52158 2 963 . 1 . 1 205 205 PHE C C 13 174.994 0.1 . 1 . . . . . 197 PHE C . 52158 2 964 . 1 . 1 205 205 PHE CA C 13 59.607 0.3 . 1 . . . . . 197 PHE CA . 52158 2 965 . 1 . 1 205 205 PHE CB C 13 41.149 0.3 . 1 . . . . . 197 PHE CB . 52158 2 966 . 1 . 1 205 205 PHE N N 15 122.899 0.15 . 1 . . . . . 197 PHE N . 52158 2 967 . 1 . 1 206 206 ASP H H 1 9.031 0.02 . 1 . . . . . 198 ASP H . 52158 2 968 . 1 . 1 206 206 ASP C C 13 175.851 0.1 . 1 . . . . . 198 ASP C . 52158 2 969 . 1 . 1 206 206 ASP CA C 13 54.205 0.3 . 1 . . . . . 198 ASP CA . 52158 2 970 . 1 . 1 206 206 ASP CB C 13 43.834 0.3 . 1 . . . . . 198 ASP CB . 52158 2 971 . 1 . 1 206 206 ASP N N 15 116.92 0.15 . 1 . . . . . 198 ASP N . 52158 2 972 . 1 . 1 207 207 PHE H H 1 6.832 0.02 . 1 . . . . . 199 PHE H . 52158 2 973 . 1 . 1 207 207 PHE C C 13 174.88 0.1 . 1 . . . . . 199 PHE C . 52158 2 974 . 1 . 1 207 207 PHE CA C 13 54.501 0.3 . 1 . . . . . 199 PHE CA . 52158 2 975 . 1 . 1 207 207 PHE CB C 13 37.209 0.3 . 1 . . . . . 199 PHE CB . 52158 2 976 . 1 . 1 207 207 PHE N N 15 117.927 0.15 . 1 . . . . . 199 PHE N . 52158 2 977 . 1 . 1 208 208 PRO C C 13 175.841 0.1 . 1 . . . . . 200 PRO C . 52158 2 978 . 1 . 1 208 208 PRO CA C 13 63.549 0.3 . 1 . . . . . 200 PRO CA . 52158 2 979 . 1 . 1 208 208 PRO CB C 13 32.019 0.3 . 1 . . . . . 200 PRO CB . 52158 2 980 . 1 . 1 209 209 VAL H H 1 8.688 0.02 . 1 . . . . . 201 VAL H . 52158 2 981 . 1 . 1 209 209 VAL C C 13 173.33 0.1 . 1 . . . . . 201 VAL C . 52158 2 982 . 1 . 1 209 209 VAL CA C 13 64.486 0.3 . 1 . . . . . 201 VAL CA . 52158 2 983 . 1 . 1 209 209 VAL CB C 13 30.125 0.3 . 1 . . . . . 201 VAL CB . 52158 2 984 . 1 . 1 209 209 VAL N N 15 122.59 0.15 . 1 . . . . . 201 VAL N . 52158 2 985 . 1 . 1 210 210 LYS H H 1 7.46 0.02 . 1 . . . . . 202 LYS H . 52158 2 986 . 1 . 1 210 210 LYS C C 13 178.682 0.1 . 1 . . . . . 202 LYS C . 52158 2 987 . 1 . 1 210 210 LYS CA C 13 58.695 0.3 . 1 . . . . . 202 LYS CA . 52158 2 988 . 1 . 1 210 210 LYS CB C 13 34.294 0.3 . 1 . . . . . 202 LYS CB . 52158 2 989 . 1 . 1 210 210 LYS N N 15 131.95 0.15 . 1 . . . . . 202 LYS N . 52158 2 stop_ save_