data_19637 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19637 _Entry.Title ; NMR solution Structure of the E.coli Outer Membrane Protein W ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-11-26 _Entry.Accession_date 2013-11-26 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 R. Horst . . . 19637 2 P. Stanczak . . . 19637 3 K Wuthrich . . . 19637 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19637 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'beta barrel' . 19637 'integral membrane protein' . 19637 'outer membrane protein' . 19637 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19637 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 177 19637 '13C chemical shifts' 470 19637 '15N chemical shifts' 177 19637 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 2 . . 2014-09-30 2013-11-26 update BMRB 'update entry citation' 19637 1 . . 2014-08-04 2014-11-26 original author 'original release' 19637 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MHL 'BMRB Entry Tracking System' 19637 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 19637 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.str.2014.05.016 _Citation.PubMed_ID 25017731 _Citation.Full_citation . _Citation.Title 'NMR polypeptide backbone conformation of the E. coli outer membrane protein W.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 22 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1878-4186 _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 1204 _Citation.Page_last 1209 _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Reto Horst R. . . 19637 1 2 Pawel Stanczak P. . . 19637 1 3 Kurt Wuthrich K. . . 19637 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19637 _Assembly.ID 1 _Assembly.Name 'Outer Membrane Protein X from E. coli' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Outer Membrane Protein X from E. coli' 1 $Outer_Membrane_Protein_W A . yes native no no . . . 19637 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Outer_Membrane_Protein_W _Entity.Sf_category entity _Entity.Sf_framecode Outer_Membrane_Protein_W _Entity.Entry_ID 19637 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Outer_Membrane_Protein_W _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MHEAGEFFMRAGSATVRPTE GAGGTLGSLGGFSVTNNTQL GLTFTYMATDNIGVELLAAT PFRHKIGTRATGDIATVHHL PPTLMAQWYFGDASSKFRPY VGAGINYTTFFDNGFNDHGK EAGLSDLSLKDSWGAAGQVG VDYLINRDWLVNMSVWYMDI DTTANYKLGGAQQHDSVRLD PWVFMFSAGYRF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 192 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 21002.574 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2F1T . "Outer Membrane Protein Ompw" . . . . . 99.48 197 100.00 100.00 3.58e-136 . . . . 19637 1 2 no PDB 2F1V . "Outer Membrane Protein Ompw" . . . . . 99.48 197 100.00 100.00 3.58e-136 . . . . 19637 1 3 no PDB 2MHL . "Nmr Solution Structure Of The E.coli Outer Membrane Protein W" . . . . . 100.00 192 100.00 100.00 1.32e-137 . . . . 19637 1 4 no DBJ BAA14788 . "outer membrane protein W [Escherichia coli str. K12 substr. W3110]" . . . . . 99.48 212 100.00 100.00 2.16e-137 . . . . 19637 1 5 no DBJ BAG66417 . "outer membrane protein W [Escherichia coli O111:H-]" . . . . . 99.48 212 100.00 100.00 2.16e-137 . . . . 19637 1 6 no DBJ BAG76829 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 99.48 212 100.00 100.00 2.16e-137 . . . . 19637 1 7 no DBJ BAJ43052 . "outer membrane protein W [Escherichia coli DH1]" . . . . . 99.48 212 100.00 100.00 2.16e-137 . . . . 19637 1 8 no DBJ BAL38320 . "outer membrane protein W [Escherichia coli str. K-12 substr. MDS42]" . . . . . 99.48 212 100.00 100.00 2.16e-137 . . . . 19637 1 9 no EMBL CAA31922 . "unnamed protein product [Escherichia coli K-12]" . . . . . 99.48 212 100.00 100.00 2.16e-137 . . . . 19637 1 10 no EMBL CAP75801 . "Outer membrane protein W [Escherichia coli LF82]" . . . . . 99.48 212 100.00 100.00 1.80e-137 . . . . 19637 1 11 no EMBL CAQ31757 . "OmpW, outer membrane protein, subunit of Colicin S4 Transport System [Escherichia coli BL21(DE3)]" . . . . . 99.48 212 100.00 100.00 2.16e-137 . . . . 19637 1 12 no EMBL CAQ98135 . "outer membrane protein W [Escherichia coli IAI1]" . . . . . 99.48 212 100.00 100.00 2.16e-137 . . . . 19637 1 13 no EMBL CAR12762 . "outer membrane protein W [Escherichia coli UMN026]" . . . . . 99.48 212 100.00 100.00 2.03e-137 . . . . 19637 1 14 no GB AAB60065 . "yciD, partial [Escherichia coli]" . . . . . 79.17 173 100.00 100.00 1.06e-105 . . . . 19637 1 15 no GB AAB60073 . "yciD, partial [Escherichia coli]" . . . . . 79.17 173 100.00 100.00 1.06e-105 . . . . 19637 1 16 no GB AAB60081 . "yciD, partial [Escherichia coli]" . . . . . 79.17 173 100.00 100.00 1.06e-105 . . . . 19637 1 17 no GB AAB60089 . "yciD, partial [Escherichia coli]" . . . . . 79.17 173 100.00 100.00 1.06e-105 . . . . 19637 1 18 no GB AAB60097 . "yciD, partial [Escherichia coli]" . . . . . 79.17 173 100.00 100.00 1.06e-105 . . . . 19637 1 19 no REF NP_415772 . "outer membrane protein W [Escherichia coli str. K-12 substr. MG1655]" . . . . . 99.48 212 100.00 100.00 2.16e-137 . . . . 19637 1 20 no REF NP_707165 . "outer membrane protein W [Shigella flexneri 2a str. 301]" . . . . . 99.48 212 100.00 100.00 2.16e-137 . . . . 19637 1 21 no REF WP_000737220 . "outer membrane protein W, partial [Escherichia coli]" . . . . . 87.50 192 98.81 98.81 1.03e-116 . . . . 19637 1 22 no REF WP_000737221 . "outer membrane protein W, partial [Escherichia coli]" . . . . . 87.50 193 98.81 98.81 8.09e-117 . . . . 19637 1 23 no REF WP_000737222 . "outer membrane protein W, partial [Escherichia coli]" . . . . . 87.50 194 98.81 98.81 6.37e-117 . . . . 19637 1 24 no SP P0A915 . "RecName: Full=Outer membrane protein W; Flags: Precursor" . . . . . 99.48 212 100.00 100.00 2.16e-137 . . . . 19637 1 25 no SP P0A916 . "RecName: Full=Outer membrane protein W; Flags: Precursor" . . . . . 99.48 212 100.00 100.00 2.16e-137 . . . . 19637 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 1 MET . 19637 1 2 2 HIS . 19637 1 3 3 GLU . 19637 1 4 4 ALA . 19637 1 5 5 GLY . 19637 1 6 6 GLU . 19637 1 7 7 PHE . 19637 1 8 8 PHE . 19637 1 9 9 MET . 19637 1 10 10 ARG . 19637 1 11 11 ALA . 19637 1 12 12 GLY . 19637 1 13 13 SER . 19637 1 14 14 ALA . 19637 1 15 15 THR . 19637 1 16 16 VAL . 19637 1 17 17 ARG . 19637 1 18 18 PRO . 19637 1 19 19 THR . 19637 1 20 20 GLU . 19637 1 21 21 GLY . 19637 1 22 22 ALA . 19637 1 23 23 GLY . 19637 1 24 24 GLY . 19637 1 25 25 THR . 19637 1 26 26 LEU . 19637 1 27 27 GLY . 19637 1 28 28 SER . 19637 1 29 29 LEU . 19637 1 30 30 GLY . 19637 1 31 31 GLY . 19637 1 32 32 PHE . 19637 1 33 33 SER . 19637 1 34 34 VAL . 19637 1 35 35 THR . 19637 1 36 36 ASN . 19637 1 37 37 ASN . 19637 1 38 38 THR . 19637 1 39 39 GLN . 19637 1 40 40 LEU . 19637 1 41 41 GLY . 19637 1 42 42 LEU . 19637 1 43 43 THR . 19637 1 44 44 PHE . 19637 1 45 45 THR . 19637 1 46 46 TYR . 19637 1 47 47 MET . 19637 1 48 48 ALA . 19637 1 49 49 THR . 19637 1 50 50 ASP . 19637 1 51 51 ASN . 19637 1 52 52 ILE . 19637 1 53 53 GLY . 19637 1 54 54 VAL . 19637 1 55 55 GLU . 19637 1 56 56 LEU . 19637 1 57 57 LEU . 19637 1 58 58 ALA . 19637 1 59 59 ALA . 19637 1 60 60 THR . 19637 1 61 61 PRO . 19637 1 62 62 PHE . 19637 1 63 63 ARG . 19637 1 64 64 HIS . 19637 1 65 65 LYS . 19637 1 66 66 ILE . 19637 1 67 67 GLY . 19637 1 68 68 THR . 19637 1 69 69 ARG . 19637 1 70 70 ALA . 19637 1 71 71 THR . 19637 1 72 72 GLY . 19637 1 73 73 ASP . 19637 1 74 74 ILE . 19637 1 75 75 ALA . 19637 1 76 76 THR . 19637 1 77 77 VAL . 19637 1 78 78 HIS . 19637 1 79 79 HIS . 19637 1 80 80 LEU . 19637 1 81 81 PRO . 19637 1 82 82 PRO . 19637 1 83 83 THR . 19637 1 84 84 LEU . 19637 1 85 85 MET . 19637 1 86 86 ALA . 19637 1 87 87 GLN . 19637 1 88 88 TRP . 19637 1 89 89 TYR . 19637 1 90 90 PHE . 19637 1 91 91 GLY . 19637 1 92 92 ASP . 19637 1 93 93 ALA . 19637 1 94 94 SER . 19637 1 95 95 SER . 19637 1 96 96 LYS . 19637 1 97 97 PHE . 19637 1 98 98 ARG . 19637 1 99 99 PRO . 19637 1 100 100 TYR . 19637 1 101 101 VAL . 19637 1 102 102 GLY . 19637 1 103 103 ALA . 19637 1 104 104 GLY . 19637 1 105 105 ILE . 19637 1 106 106 ASN . 19637 1 107 107 TYR . 19637 1 108 108 THR . 19637 1 109 109 THR . 19637 1 110 110 PHE . 19637 1 111 111 PHE . 19637 1 112 112 ASP . 19637 1 113 113 ASN . 19637 1 114 114 GLY . 19637 1 115 115 PHE . 19637 1 116 116 ASN . 19637 1 117 117 ASP . 19637 1 118 118 HIS . 19637 1 119 119 GLY . 19637 1 120 120 LYS . 19637 1 121 121 GLU . 19637 1 122 122 ALA . 19637 1 123 123 GLY . 19637 1 124 124 LEU . 19637 1 125 125 SER . 19637 1 126 126 ASP . 19637 1 127 127 LEU . 19637 1 128 128 SER . 19637 1 129 129 LEU . 19637 1 130 130 LYS . 19637 1 131 131 ASP . 19637 1 132 132 SER . 19637 1 133 133 TRP . 19637 1 134 134 GLY . 19637 1 135 135 ALA . 19637 1 136 136 ALA . 19637 1 137 137 GLY . 19637 1 138 138 GLN . 19637 1 139 139 VAL . 19637 1 140 140 GLY . 19637 1 141 141 VAL . 19637 1 142 142 ASP . 19637 1 143 143 TYR . 19637 1 144 144 LEU . 19637 1 145 145 ILE . 19637 1 146 146 ASN . 19637 1 147 147 ARG . 19637 1 148 148 ASP . 19637 1 149 149 TRP . 19637 1 150 150 LEU . 19637 1 151 151 VAL . 19637 1 152 152 ASN . 19637 1 153 153 MET . 19637 1 154 154 SER . 19637 1 155 155 VAL . 19637 1 156 156 TRP . 19637 1 157 157 TYR . 19637 1 158 158 MET . 19637 1 159 159 ASP . 19637 1 160 160 ILE . 19637 1 161 161 ASP . 19637 1 162 162 THR . 19637 1 163 163 THR . 19637 1 164 164 ALA . 19637 1 165 165 ASN . 19637 1 166 166 TYR . 19637 1 167 167 LYS . 19637 1 168 168 LEU . 19637 1 169 169 GLY . 19637 1 170 170 GLY . 19637 1 171 171 ALA . 19637 1 172 172 GLN . 19637 1 173 173 GLN . 19637 1 174 174 HIS . 19637 1 175 175 ASP . 19637 1 176 176 SER . 19637 1 177 177 VAL . 19637 1 178 178 ARG . 19637 1 179 179 LEU . 19637 1 180 180 ASP . 19637 1 181 181 PRO . 19637 1 182 182 TRP . 19637 1 183 183 VAL . 19637 1 184 184 PHE . 19637 1 185 185 MET . 19637 1 186 186 PHE . 19637 1 187 187 SER . 19637 1 188 188 ALA . 19637 1 189 189 GLY . 19637 1 190 190 TYR . 19637 1 191 191 ARG . 19637 1 192 192 PHE . 19637 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19637 1 . HIS 2 2 19637 1 . GLU 3 3 19637 1 . ALA 4 4 19637 1 . GLY 5 5 19637 1 . GLU 6 6 19637 1 . PHE 7 7 19637 1 . PHE 8 8 19637 1 . MET 9 9 19637 1 . ARG 10 10 19637 1 . ALA 11 11 19637 1 . GLY 12 12 19637 1 . SER 13 13 19637 1 . ALA 14 14 19637 1 . THR 15 15 19637 1 . VAL 16 16 19637 1 . ARG 17 17 19637 1 . PRO 18 18 19637 1 . THR 19 19 19637 1 . GLU 20 20 19637 1 . GLY 21 21 19637 1 . ALA 22 22 19637 1 . GLY 23 23 19637 1 . GLY 24 24 19637 1 . THR 25 25 19637 1 . LEU 26 26 19637 1 . GLY 27 27 19637 1 . SER 28 28 19637 1 . LEU 29 29 19637 1 . GLY 30 30 19637 1 . GLY 31 31 19637 1 . PHE 32 32 19637 1 . SER 33 33 19637 1 . VAL 34 34 19637 1 . THR 35 35 19637 1 . ASN 36 36 19637 1 . ASN 37 37 19637 1 . THR 38 38 19637 1 . GLN 39 39 19637 1 . LEU 40 40 19637 1 . GLY 41 41 19637 1 . LEU 42 42 19637 1 . THR 43 43 19637 1 . PHE 44 44 19637 1 . THR 45 45 19637 1 . TYR 46 46 19637 1 . MET 47 47 19637 1 . ALA 48 48 19637 1 . THR 49 49 19637 1 . ASP 50 50 19637 1 . ASN 51 51 19637 1 . ILE 52 52 19637 1 . GLY 53 53 19637 1 . VAL 54 54 19637 1 . GLU 55 55 19637 1 . LEU 56 56 19637 1 . LEU 57 57 19637 1 . ALA 58 58 19637 1 . ALA 59 59 19637 1 . THR 60 60 19637 1 . PRO 61 61 19637 1 . PHE 62 62 19637 1 . ARG 63 63 19637 1 . HIS 64 64 19637 1 . LYS 65 65 19637 1 . ILE 66 66 19637 1 . GLY 67 67 19637 1 . THR 68 68 19637 1 . ARG 69 69 19637 1 . ALA 70 70 19637 1 . THR 71 71 19637 1 . GLY 72 72 19637 1 . ASP 73 73 19637 1 . ILE 74 74 19637 1 . ALA 75 75 19637 1 . THR 76 76 19637 1 . VAL 77 77 19637 1 . HIS 78 78 19637 1 . HIS 79 79 19637 1 . LEU 80 80 19637 1 . PRO 81 81 19637 1 . PRO 82 82 19637 1 . THR 83 83 19637 1 . LEU 84 84 19637 1 . MET 85 85 19637 1 . ALA 86 86 19637 1 . GLN 87 87 19637 1 . TRP 88 88 19637 1 . TYR 89 89 19637 1 . PHE 90 90 19637 1 . GLY 91 91 19637 1 . ASP 92 92 19637 1 . ALA 93 93 19637 1 . SER 94 94 19637 1 . SER 95 95 19637 1 . LYS 96 96 19637 1 . PHE 97 97 19637 1 . ARG 98 98 19637 1 . PRO 99 99 19637 1 . TYR 100 100 19637 1 . VAL 101 101 19637 1 . GLY 102 102 19637 1 . ALA 103 103 19637 1 . GLY 104 104 19637 1 . ILE 105 105 19637 1 . ASN 106 106 19637 1 . TYR 107 107 19637 1 . THR 108 108 19637 1 . THR 109 109 19637 1 . PHE 110 110 19637 1 . PHE 111 111 19637 1 . ASP 112 112 19637 1 . ASN 113 113 19637 1 . GLY 114 114 19637 1 . PHE 115 115 19637 1 . ASN 116 116 19637 1 . ASP 117 117 19637 1 . HIS 118 118 19637 1 . GLY 119 119 19637 1 . LYS 120 120 19637 1 . GLU 121 121 19637 1 . ALA 122 122 19637 1 . GLY 123 123 19637 1 . LEU 124 124 19637 1 . SER 125 125 19637 1 . ASP 126 126 19637 1 . LEU 127 127 19637 1 . SER 128 128 19637 1 . LEU 129 129 19637 1 . LYS 130 130 19637 1 . ASP 131 131 19637 1 . SER 132 132 19637 1 . TRP 133 133 19637 1 . GLY 134 134 19637 1 . ALA 135 135 19637 1 . ALA 136 136 19637 1 . GLY 137 137 19637 1 . GLN 138 138 19637 1 . VAL 139 139 19637 1 . GLY 140 140 19637 1 . VAL 141 141 19637 1 . ASP 142 142 19637 1 . TYR 143 143 19637 1 . LEU 144 144 19637 1 . ILE 145 145 19637 1 . ASN 146 146 19637 1 . ARG 147 147 19637 1 . ASP 148 148 19637 1 . TRP 149 149 19637 1 . LEU 150 150 19637 1 . VAL 151 151 19637 1 . ASN 152 152 19637 1 . MET 153 153 19637 1 . SER 154 154 19637 1 . VAL 155 155 19637 1 . TRP 156 156 19637 1 . TYR 157 157 19637 1 . MET 158 158 19637 1 . ASP 159 159 19637 1 . ILE 160 160 19637 1 . ASP 161 161 19637 1 . THR 162 162 19637 1 . THR 163 163 19637 1 . ALA 164 164 19637 1 . ASN 165 165 19637 1 . TYR 166 166 19637 1 . LYS 167 167 19637 1 . LEU 168 168 19637 1 . GLY 169 169 19637 1 . GLY 170 170 19637 1 . ALA 171 171 19637 1 . GLN 172 172 19637 1 . GLN 173 173 19637 1 . HIS 174 174 19637 1 . ASP 175 175 19637 1 . SER 176 176 19637 1 . VAL 177 177 19637 1 . ARG 178 178 19637 1 . LEU 179 179 19637 1 . ASP 180 180 19637 1 . PRO 181 181 19637 1 . TRP 182 182 19637 1 . VAL 183 183 19637 1 . PHE 184 184 19637 1 . MET 185 185 19637 1 . PHE 186 186 19637 1 . SER 187 187 19637 1 . ALA 188 188 19637 1 . GLY 189 189 19637 1 . TYR 190 190 19637 1 . ARG 191 191 19637 1 . PHE 192 192 19637 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19637 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Outer_Membrane_Protein_W . 562 organism . 'Escherichia coli' enterobacteria . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 19637 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 19637 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Outer_Membrane_Protein_W . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET11a . . . . . . 19637 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19637 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Outer Membrane Protein W' '[U-13C; U-15N; U-2H]' . . 1 $Outer_Membrane_Protein_W . . 1.2 . . mM . . . . 19637 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19637 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19637 1 4 'Sodium Chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 19637 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19637 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 10 . mM 19637 1 pH 6.8 . pH 19637 1 pressure 1 . bar 19637 1 temperature 308 . K 19637 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19637 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'G??ntert P.' . . 19637 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19637 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19637 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19637 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19637 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 600 . 1 $citations 19637 1 2 spectrometer_2 Bruker Avance . 800 . 1 $citations 19637 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 19637 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 NOESY/HNCA/HNCACB no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19637 1 2 HNCO/HNCOCA/HNCACO no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19637 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19637 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $CYANA _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19637 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19637 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19637 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19637 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . 19637 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19637 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 NOESY/HNCA/HNCACB . . . 19637 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID . 'amide protons' . . . 19637 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 HIS H H 1 8.422 0.01 . 1 . . . A 2 HIS H . 19637 1 2 . 1 1 2 2 HIS C C 13 171.081 0.1 . 1 . . . A 2 HIS C . 19637 1 3 . 1 1 2 2 HIS CA C 13 52.288 0.1 . 1 . . . A 2 HIS CA . 19637 1 4 . 1 1 2 2 HIS CB C 13 23.296 0.1 . 1 . . . A 2 HIS CB . 19637 1 5 . 1 1 2 2 HIS N N 15 119.214 0.1 . 1 . . . A 2 HIS N . 19637 1 6 . 1 1 3 3 GLU H H 1 6.642 0.01 . 1 . . . A 3 GLU H . 19637 1 7 . 1 1 3 3 GLU C C 13 174.619 0.1 . 1 . . . A 3 GLU C . 19637 1 8 . 1 1 3 3 GLU CA C 13 53.662 0.1 . 1 . . . A 3 GLU CA . 19637 1 9 . 1 1 3 3 GLU CB C 13 29.415 0.1 . 1 . . . A 3 GLU CB . 19637 1 10 . 1 1 3 3 GLU N N 15 113.500 0.1 . 1 . . . A 3 GLU N . 19637 1 11 . 1 1 4 4 ALA H H 1 8.701 0.01 . 1 . . . A 4 ALA H . 19637 1 12 . 1 1 4 4 ALA C C 13 178.439 0.1 . 1 . . . A 4 ALA C . 19637 1 13 . 1 1 4 4 ALA CA C 13 52.376 0.1 . 1 . . . A 4 ALA CA . 19637 1 14 . 1 1 4 4 ALA CB C 13 17.443 0.1 . 1 . . . A 4 ALA CB . 19637 1 15 . 1 1 4 4 ALA N N 15 120.680 0.1 . 1 . . . A 4 ALA N . 19637 1 16 . 1 1 5 5 GLY H H 1 9.294 0.01 . 1 . . . A 5 GLY H . 19637 1 17 . 1 1 5 5 GLY C C 13 173.309 0.1 . 1 . . . A 5 GLY C . 19637 1 18 . 1 1 5 5 GLY CA C 13 43.553 0.1 . 1 . . . A 5 GLY CA . 19637 1 19 . 1 1 5 5 GLY N N 15 112.786 0.1 . 1 . . . A 5 GLY N . 19637 1 20 . 1 1 6 6 GLU H H 1 7.955 0.01 . 1 . . . A 6 GLU H . 19637 1 21 . 1 1 6 6 GLU C C 13 173.693 0.1 . 1 . . . A 6 GLU C . 19637 1 22 . 1 1 6 6 GLU CA C 13 56.018 0.1 . 1 . . . A 6 GLU CA . 19637 1 23 . 1 1 6 6 GLU CB C 13 31.188 0.1 . 1 . . . A 6 GLU CB . 19637 1 24 . 1 1 6 6 GLU N N 15 121.755 0.1 . 1 . . . A 6 GLU N . 19637 1 25 . 1 1 7 7 PHE H H 1 8.648 0.01 . 1 . . . A 7 PHE H . 19637 1 26 . 1 1 7 7 PHE C C 13 174.039 0.1 . 1 . . . A 7 PHE C . 19637 1 27 . 1 1 7 7 PHE CA C 13 54.333 0.1 . 1 . . . A 7 PHE CA . 19637 1 28 . 1 1 7 7 PHE CB C 13 41.741 0.1 . 1 . . . A 7 PHE CB . 19637 1 29 . 1 1 7 7 PHE N N 15 124.802 0.1 . 1 . . . A 7 PHE N . 19637 1 30 . 1 1 8 8 PHE H H 1 8.574 0.01 . 1 . . . A 8 PHE H . 19637 1 31 . 1 1 8 8 PHE C C 13 171.861 0.1 . 1 . . . A 8 PHE C . 19637 1 32 . 1 1 8 8 PHE CA C 13 54.549 0.1 . 1 . . . A 8 PHE CA . 19637 1 33 . 1 1 8 8 PHE CB C 13 40.677 0.1 . 1 . . . A 8 PHE CB . 19637 1 34 . 1 1 8 8 PHE N N 15 121.132 0.1 . 1 . . . A 8 PHE N . 19637 1 35 . 1 1 9 9 MET H H 1 8.541 0.01 . 1 . . . A 9 MET H . 19637 1 36 . 1 1 9 9 MET C C 13 174.166 0.1 . 1 . . . A 9 MET C . 19637 1 37 . 1 1 9 9 MET CA C 13 52.199 0.1 . 1 . . . A 9 MET CA . 19637 1 38 . 1 1 9 9 MET CB C 13 37.307 0.1 . 1 . . . A 9 MET CB . 19637 1 39 . 1 1 9 9 MET N N 15 120.391 0.1 . 1 . . . A 9 MET N . 19637 1 40 . 1 1 10 10 ARG H H 1 8.357 0.01 . 1 . . . A 10 ARG H . 19637 1 41 . 1 1 10 10 ARG C C 13 175.289 0.1 . 1 . . . A 10 ARG C . 19637 1 42 . 1 1 10 10 ARG CA C 13 53.446 0.1 . 1 . . . A 10 ARG CA . 19637 1 43 . 1 1 10 10 ARG CB C 13 31.366 0.1 . 1 . . . A 10 ARG CB . 19637 1 44 . 1 1 10 10 ARG N N 15 117.892 0.1 . 1 . . . A 10 ARG N . 19637 1 45 . 1 1 11 11 ALA H H 1 9.154 0.01 . 1 . . . A 11 ALA H . 19637 1 46 . 1 1 11 11 ALA C C 13 176.057 0.1 . 1 . . . A 11 ALA C . 19637 1 47 . 1 1 11 11 ALA CA C 13 49.632 0.1 . 1 . . . A 11 ALA CA . 19637 1 48 . 1 1 11 11 ALA CB C 13 21.518 0.1 . 1 . . . A 11 ALA CB . 19637 1 49 . 1 1 11 11 ALA N N 15 119.664 0.1 . 1 . . . A 11 ALA N . 19637 1 50 . 1 1 12 12 GLY H H 1 8.655 0.01 . 1 . . . A 12 GLY H . 19637 1 51 . 1 1 12 12 GLY C C 13 172.068 0.1 . 1 . . . A 12 GLY C . 19637 1 52 . 1 1 12 12 GLY CA C 13 45.149 0.1 . 1 . . . A 12 GLY CA . 19637 1 53 . 1 1 12 12 GLY N N 15 106.262 0.1 . 1 . . . A 12 GLY N . 19637 1 54 . 1 1 13 13 SER H H 1 8.644 0.01 . 1 . . . A 13 SER H . 19637 1 55 . 1 1 13 13 SER C C 13 173.604 0.1 . 1 . . . A 13 SER C . 19637 1 56 . 1 1 13 13 SER CA C 13 56.367 0.1 . 1 . . . A 13 SER CA . 19637 1 57 . 1 1 13 13 SER CB C 13 64.087 0.1 . 1 . . . A 13 SER CB . 19637 1 58 . 1 1 13 13 SER N N 15 116.893 0.1 . 1 . . . A 13 SER N . 19637 1 59 . 1 1 14 14 ALA H H 1 9.120 0.01 . 1 . . . A 14 ALA H . 19637 1 60 . 1 1 14 14 ALA CA C 13 49.627 0.1 . 1 . . . A 14 ALA CA . 19637 1 61 . 1 1 14 14 ALA CB C 13 18.330 0.1 . 1 . . . A 14 ALA CB . 19637 1 62 . 1 1 14 14 ALA N N 15 125.234 0.1 . 1 . . . A 14 ALA N . 19637 1 63 . 1 1 15 15 THR H H 1 9.351 0.01 . 1 . . . A 15 THR H . 19637 1 64 . 1 1 15 15 THR C C 13 175.230 0.1 . 1 . . . A 15 THR C . 19637 1 65 . 1 1 15 15 THR CA C 13 60.895 0.1 . 1 . . . A 15 THR CA . 19637 1 66 . 1 1 15 15 THR CB C 13 70.029 0.1 . 1 . . . A 15 THR CB . 19637 1 67 . 1 1 15 15 THR N N 15 121.303 0.1 . 1 . . . A 15 THR N . 19637 1 68 . 1 1 16 16 VAL H H 1 9.110 0.01 . 1 . . . A 16 VAL H . 19637 1 69 . 1 1 16 16 VAL C C 13 174.432 0.1 . 1 . . . A 16 VAL C . 19637 1 70 . 1 1 16 16 VAL CA C 13 60.806 0.1 . 1 . . . A 16 VAL CA . 19637 1 71 . 1 1 16 16 VAL CB C 13 30.922 0.1 . 1 . . . A 16 VAL CB . 19637 1 72 . 1 1 16 16 VAL N N 15 126.781 0.1 . 1 . . . A 16 VAL N . 19637 1 73 . 1 1 17 17 ARG H H 1 9.325 0.01 . 1 . . . A 17 ARG H . 19637 1 74 . 1 1 17 17 ARG C C 13 173.440 0.1 . 1 . . . A 17 ARG C . 19637 1 75 . 1 1 17 17 ARG CA C 13 51.407 0.1 . 1 . . . A 17 ARG CA . 19637 1 76 . 1 1 17 17 ARG CB C 13 30.302 0.1 . 1 . . . A 17 ARG CB . 19637 1 77 . 1 1 17 17 ARG N N 15 129.806 0.1 . 1 . . . A 17 ARG N . 19637 1 78 . 1 1 19 19 THR H H 1 8.021 0.01 . 1 . . . A 19 THR H . 19637 1 79 . 1 1 19 19 THR CA C 13 61.022 0.1 . 1 . . . A 19 THR CA . 19637 1 80 . 1 1 19 19 THR CB C 13 69.142 0.1 . 1 . . . A 19 THR CB . 19637 1 81 . 1 1 19 19 THR N N 15 114.402 0.1 . 1 . . . A 19 THR N . 19637 1 82 . 1 1 20 20 GLU H H 1 8.601 0.01 . 1 . . . A 20 GLU H . 19637 1 83 . 1 1 20 20 GLU C C 13 177.007 0.1 . 1 . . . A 20 GLU C . 19637 1 84 . 1 1 20 20 GLU CA C 13 55.480 0.1 . 1 . . . A 20 GLU CA . 19637 1 85 . 1 1 20 20 GLU CB C 13 28.794 0.1 . 1 . . . A 20 GLU CB . 19637 1 86 . 1 1 20 20 GLU N N 15 123.598 0.1 . 1 . . . A 20 GLU N . 19637 1 87 . 1 1 21 21 GLY H H 1 8.530 0.01 . 1 . . . A 21 GLY H . 19637 1 88 . 1 1 21 21 GLY C C 13 174.077 0.1 . 1 . . . A 21 GLY C . 19637 1 89 . 1 1 21 21 GLY CA C 13 44.661 0.1 . 1 . . . A 21 GLY CA . 19637 1 90 . 1 1 21 21 GLY N N 15 110.237 0.1 . 1 . . . A 21 GLY N . 19637 1 91 . 1 1 22 22 ALA H H 1 8.279 0.01 . 1 . . . A 22 ALA H . 19637 1 92 . 1 1 22 22 ALA C C 13 178.158 0.1 . 1 . . . A 22 ALA C . 19637 1 93 . 1 1 22 22 ALA CA C 13 51.755 0.1 . 1 . . . A 22 ALA CA . 19637 1 94 . 1 1 22 22 ALA CB C 13 17.778 0.1 . 1 . . . A 22 ALA CB . 19637 1 95 . 1 1 22 22 ALA N N 15 123.476 0.1 . 1 . . . A 22 ALA N . 19637 1 96 . 1 1 23 23 GLY H H 1 8.452 0.01 . 1 . . . A 23 GLY H . 19637 1 97 . 1 1 23 23 GLY C C 13 174.727 0.1 . 1 . . . A 23 GLY C . 19637 1 98 . 1 1 23 23 GLY CA C 13 44.440 0.1 . 1 . . . A 23 GLY CA . 19637 1 99 . 1 1 23 23 GLY N N 15 107.265 0.1 . 1 . . . A 23 GLY N . 19637 1 100 . 1 1 24 24 GLY H H 1 8.221 0.01 . 1 . . . A 24 GLY H . 19637 1 101 . 1 1 24 24 GLY C C 13 174.786 0.1 . 1 . . . A 24 GLY C . 19637 1 102 . 1 1 24 24 GLY CA C 13 44.440 0.1 . 1 . . . A 24 GLY CA . 19637 1 103 . 1 1 24 24 GLY N N 15 108.306 0.1 . 1 . . . A 24 GLY N . 19637 1 104 . 1 1 25 25 THR H H 1 8.213 0.01 . 1 . . . A 25 THR H . 19637 1 105 . 1 1 25 25 THR C C 13 175.170 0.1 . 1 . . . A 25 THR C . 19637 1 106 . 1 1 25 25 THR CA C 13 61.599 0.1 . 1 . . . A 25 THR CA . 19637 1 107 . 1 1 25 25 THR CB C 13 68.521 0.1 . 1 . . . A 25 THR CB . 19637 1 108 . 1 1 25 25 THR N N 15 114.381 0.1 . 1 . . . A 25 THR N . 19637 1 109 . 1 1 26 26 LEU H H 1 8.425 0.01 . 1 . . . A 26 LEU H . 19637 1 110 . 1 1 26 26 LEU C C 13 177.918 0.1 . 1 . . . A 26 LEU C . 19637 1 111 . 1 1 26 26 LEU CA C 13 54.682 0.1 . 1 . . . A 26 LEU CA . 19637 1 112 . 1 1 26 26 LEU CB C 13 40.145 0.1 . 1 . . . A 26 LEU CB . 19637 1 113 . 1 1 26 26 LEU N N 15 123.038 0.1 . 1 . . . A 26 LEU N . 19637 1 114 . 1 1 27 27 GLY H H 1 8.260 0.01 . 1 . . . A 27 GLY H . 19637 1 115 . 1 1 27 27 GLY C C 13 175.023 0.1 . 1 . . . A 27 GLY C . 19637 1 116 . 1 1 27 27 GLY CA C 13 44.839 0.1 . 1 . . . A 27 GLY CA . 19637 1 117 . 1 1 27 27 GLY N N 15 108.786 0.1 . 1 . . . A 27 GLY N . 19637 1 118 . 1 1 28 28 SER H H 1 8.330 0.01 . 1 . . . A 28 SER H . 19637 1 119 . 1 1 28 28 SER CA C 13 58.140 0.1 . 1 . . . A 28 SER CA . 19637 1 120 . 1 1 28 28 SER CB C 13 62.846 0.1 . 1 . . . A 28 SER CB . 19637 1 121 . 1 1 28 28 SER N N 15 116.175 0.1 . 1 . . . A 28 SER N . 19637 1 122 . 1 1 29 29 LEU H H 1 8.157 0.01 . 1 . . . A 29 LEU H . 19637 1 123 . 1 1 29 29 LEU C C 13 177.512 0.1 . 1 . . . A 29 LEU C . 19637 1 124 . 1 1 29 29 LEU CA C 13 54.416 0.1 . 1 . . . A 29 LEU CA . 19637 1 125 . 1 1 29 29 LEU CB C 13 40.322 0.1 . 1 . . . A 29 LEU CB . 19637 1 126 . 1 1 29 29 LEU N N 15 122.260 0.1 . 1 . . . A 29 LEU N . 19637 1 127 . 1 1 30 30 GLY H H 1 8.144 0.01 . 1 . . . A 30 GLY H . 19637 1 128 . 1 1 30 30 GLY C C 13 174.225 0.1 . 1 . . . A 30 GLY C . 19637 1 129 . 1 1 30 30 GLY CA C 13 44.528 0.1 . 1 . . . A 30 GLY CA . 19637 1 130 . 1 1 30 30 GLY N N 15 107.575 0.1 . 1 . . . A 30 GLY N . 19637 1 131 . 1 1 31 31 GLY H H 1 8.044 0.01 . 1 . . . A 31 GLY H . 19637 1 132 . 1 1 31 31 GLY C C 13 173.664 0.1 . 1 . . . A 31 GLY C . 19637 1 133 . 1 1 31 31 GLY CA C 13 44.218 0.1 . 1 . . . A 31 GLY CA . 19637 1 134 . 1 1 31 31 GLY N N 15 107.996 0.1 . 1 . . . A 31 GLY N . 19637 1 135 . 1 1 32 32 PHE H H 1 8.181 0.01 . 1 . . . A 32 PHE H . 19637 1 136 . 1 1 32 32 PHE C C 13 175.495 0.1 . 1 . . . A 32 PHE C . 19637 1 137 . 1 1 32 32 PHE CA C 13 56.373 0.1 . 1 . . . A 32 PHE CA . 19637 1 138 . 1 1 32 32 PHE CB C 13 39.258 0.1 . 1 . . . A 32 PHE CB . 19637 1 139 . 1 1 32 32 PHE N N 15 119.248 0.1 . 1 . . . A 32 PHE N . 19637 1 140 . 1 1 33 33 SER H H 1 8.771 0.01 . 1 . . . A 33 SER H . 19637 1 141 . 1 1 33 33 SER C C 13 173.368 0.1 . 1 . . . A 33 SER C . 19637 1 142 . 1 1 33 33 SER CA C 13 55.746 0.1 . 1 . . . A 33 SER CA . 19637 1 143 . 1 1 33 33 SER CB C 13 64.265 0.1 . 1 . . . A 33 SER CB . 19637 1 144 . 1 1 33 33 SER N N 15 117.720 0.1 . 1 . . . A 33 SER N . 19637 1 145 . 1 1 34 34 VAL H H 1 8.525 0.01 . 1 . . . A 34 VAL H . 19637 1 146 . 1 1 34 34 VAL CA C 13 59.426 0.1 . 1 . . . A 34 VAL CA . 19637 1 147 . 1 1 34 34 VAL CB C 13 32.785 0.1 . 1 . . . A 34 VAL CB . 19637 1 148 . 1 1 34 34 VAL N N 15 123.007 0.1 . 1 . . . A 34 VAL N . 19637 1 149 . 1 1 35 35 THR H H 1 8.147 0.01 . 1 . . . A 35 THR H . 19637 1 150 . 1 1 35 35 THR CA C 13 61.200 0.1 . 1 . . . A 35 THR CA . 19637 1 151 . 1 1 35 35 THR CB C 13 69.851 0.1 . 1 . . . A 35 THR CB . 19637 1 152 . 1 1 35 35 THR N N 15 115.459 0.1 . 1 . . . A 35 THR N . 19637 1 153 . 1 1 36 36 ASN H H 1 8.719 0.01 . 1 . . . A 36 ASN H . 19637 1 154 . 1 1 36 36 ASN CA C 13 51.407 0.1 . 1 . . . A 36 ASN CA . 19637 1 155 . 1 1 36 36 ASN CB C 13 38.105 0.1 . 1 . . . A 36 ASN CB . 19637 1 156 . 1 1 36 36 ASN N N 15 118.274 0.1 . 1 . . . A 36 ASN N . 19637 1 157 . 1 1 37 37 ASN H H 1 8.432 0.01 . 1 . . . A 37 ASN H . 19637 1 158 . 1 1 37 37 ASN CA C 13 54.865 0.1 . 1 . . . A 37 ASN CA . 19637 1 159 . 1 1 37 37 ASN CB C 13 44.312 0.1 . 1 . . . A 37 ASN CB . 19637 1 160 . 1 1 37 37 ASN N N 15 115.657 0.1 . 1 . . . A 37 ASN N . 19637 1 161 . 1 1 38 38 THR H H 1 8.095 0.01 . 1 . . . A 38 THR H . 19637 1 162 . 1 1 38 38 THR CA C 13 61.288 0.1 . 1 . . . A 38 THR CA . 19637 1 163 . 1 1 38 38 THR CB C 13 69.142 0.1 . 1 . . . A 38 THR CB . 19637 1 164 . 1 1 38 38 THR N N 15 122.444 0.1 . 1 . . . A 38 THR N . 19637 1 165 . 1 1 40 40 LEU H H 1 6.902 0.01 . 1 . . . A 40 LEU H . 19637 1 166 . 1 1 40 40 LEU CA C 13 54.327 0.1 . 1 . . . A 40 LEU CA . 19637 1 167 . 1 1 40 40 LEU CB C 13 41.218 0.1 . 1 . . . A 40 LEU CB . 19637 1 168 . 1 1 40 40 LEU N N 15 120.457 0.1 . 1 . . . A 40 LEU N . 19637 1 169 . 1 1 41 41 GLY H H 1 8.978 0.01 . 1 . . . A 41 GLY H . 19637 1 170 . 1 1 41 41 GLY C C 13 171.034 0.1 . 1 . . . A 41 GLY C . 19637 1 171 . 1 1 41 41 GLY CA C 13 42.843 0.1 . 1 . . . A 41 GLY CA . 19637 1 172 . 1 1 41 41 GLY N N 15 111.223 0.1 . 1 . . . A 41 GLY N . 19637 1 173 . 1 1 42 42 LEU H H 1 8.679 0.01 . 1 . . . A 42 LEU H . 19637 1 174 . 1 1 42 42 LEU C C 13 175.350 0.1 . 1 . . . A 42 LEU C . 19637 1 175 . 1 1 42 42 LEU CA C 13 52.155 0.1 . 1 . . . A 42 LEU CA . 19637 1 176 . 1 1 42 42 LEU CB C 13 45.377 0.1 . 1 . . . A 42 LEU CB . 19637 1 177 . 1 1 42 42 LEU N N 15 122.123 0.1 . 1 . . . A 42 LEU N . 19637 1 178 . 1 1 43 43 THR H H 1 8.792 0.01 . 1 . . . A 43 THR H . 19637 1 179 . 1 1 43 43 THR C C 13 173.516 0.1 . 1 . . . A 43 THR C . 19637 1 180 . 1 1 43 43 THR CA C 13 58.057 0.1 . 1 . . . A 43 THR CA . 19637 1 181 . 1 1 43 43 THR CB C 13 70.029 0.1 . 1 . . . A 43 THR CB . 19637 1 182 . 1 1 43 43 THR N N 15 109.917 0.1 . 1 . . . A 43 THR N . 19637 1 183 . 1 1 44 44 PHE H H 1 8.566 0.01 . 1 . . . A 44 PHE H . 19637 1 184 . 1 1 44 44 PHE C C 13 173.917 0.1 . 1 . . . A 44 PHE C . 19637 1 185 . 1 1 44 44 PHE CA C 13 55.480 0.1 . 1 . . . A 44 PHE CA . 19637 1 186 . 1 1 44 44 PHE CB C 13 40.765 0.1 . 1 . . . A 44 PHE CB . 19637 1 187 . 1 1 44 44 PHE N N 15 118.699 0.1 . 1 . . . A 44 PHE N . 19637 1 188 . 1 1 45 45 THR H H 1 7.903 0.01 . 1 . . . A 45 THR H . 19637 1 189 . 1 1 45 45 THR C C 13 170.886 0.1 . 1 . . . A 45 THR C . 19637 1 190 . 1 1 45 45 THR CA C 13 60.097 0.1 . 1 . . . A 45 THR CA . 19637 1 191 . 1 1 45 45 THR CB C 13 68.433 0.1 . 1 . . . A 45 THR CB . 19637 1 192 . 1 1 45 45 THR N N 15 118.229 0.1 . 1 . . . A 45 THR N . 19637 1 193 . 1 1 46 46 TYR H H 1 8.941 0.01 . 1 . . . A 46 TYR H . 19637 1 194 . 1 1 46 46 TYR C C 13 174.254 0.1 . 1 . . . A 46 TYR C . 19637 1 195 . 1 1 46 46 TYR CA C 13 54.150 0.1 . 1 . . . A 46 TYR CA . 19637 1 196 . 1 1 46 46 TYR CB C 13 42.273 0.1 . 1 . . . A 46 TYR CB . 19637 1 197 . 1 1 46 46 TYR N N 15 124.450 0.1 . 1 . . . A 46 TYR N . 19637 1 198 . 1 1 47 47 MET H H 1 7.798 0.01 . 1 . . . A 47 MET H . 19637 1 199 . 1 1 47 47 MET C C 13 175.082 0.1 . 1 . . . A 47 MET C . 19637 1 200 . 1 1 47 47 MET CA C 13 50.425 0.1 . 1 . . . A 47 MET CA . 19637 1 201 . 1 1 47 47 MET CB C 13 26.222 0.1 . 1 . . . A 47 MET CB . 19637 1 202 . 1 1 47 47 MET N N 15 123.598 0.1 . 1 . . . A 47 MET N . 19637 1 203 . 1 1 48 48 ALA H H 1 8.717 0.01 . 1 . . . A 48 ALA H . 19637 1 204 . 1 1 48 48 ALA C C 13 178.568 0.1 . 1 . . . A 48 ALA C . 19637 1 205 . 1 1 48 48 ALA CA C 13 53.305 0.1 . 1 . . . A 48 ALA CA . 19637 1 206 . 1 1 48 48 ALA CB C 13 17.712 0.1 . 1 . . . A 48 ALA CB . 19637 1 207 . 1 1 48 48 ALA N N 15 129.975 0.1 . 1 . . . A 48 ALA N . 19637 1 208 . 1 1 49 49 THR H H 1 8.072 0.01 . 1 . . . A 49 THR H . 19637 1 209 . 1 1 49 49 THR C C 13 171.950 0.1 . 1 . . . A 49 THR C . 19637 1 210 . 1 1 49 49 THR CA C 13 57.786 0.1 . 1 . . . A 49 THR CA . 19637 1 211 . 1 1 49 49 THR CB C 13 70.535 0.1 . 1 . . . A 49 THR CB . 19637 1 212 . 1 1 49 49 THR N N 15 106.011 0.1 . 1 . . . A 49 THR N . 19637 1 213 . 1 1 50 50 ASP H H 1 8.390 0.01 . 1 . . . A 50 ASP H . 19637 1 214 . 1 1 50 50 ASP C C 13 175.318 0.1 . 1 . . . A 50 ASP C . 19637 1 215 . 1 1 50 50 ASP CA C 13 54.776 0.1 . 1 . . . A 50 ASP CA . 19637 1 216 . 1 1 50 50 ASP CB C 13 39.790 0.1 . 1 . . . A 50 ASP CB . 19637 1 217 . 1 1 50 50 ASP N N 15 114.062 0.1 . 1 . . . A 50 ASP N . 19637 1 218 . 1 1 51 51 ASN H H 1 7.887 0.01 . 1 . . . A 51 ASN H . 19637 1 219 . 1 1 51 51 ASN C C 13 171.684 0.1 . 1 . . . A 51 ASN C . 19637 1 220 . 1 1 51 51 ASN CA C 13 54.416 0.1 . 1 . . . A 51 ASN CA . 19637 1 221 . 1 1 51 51 ASN CB C 13 40.233 0.1 . 1 . . . A 51 ASN CB . 19637 1 222 . 1 1 51 51 ASN N N 15 111.850 0.1 . 1 . . . A 51 ASN N . 19637 1 223 . 1 1 52 52 ILE H H 1 7.707 0.01 . 1 . . . A 52 ILE H . 19637 1 224 . 1 1 52 52 ILE C C 13 175.495 0.1 . 1 . . . A 52 ILE C . 19637 1 225 . 1 1 52 52 ILE CA C 13 59.648 0.1 . 1 . . . A 52 ILE CA . 19637 1 226 . 1 1 52 52 ILE CB C 13 37.484 0.1 . 1 . . . A 52 ILE CB . 19637 1 227 . 1 1 52 52 ILE N N 15 118.929 0.1 . 1 . . . A 52 ILE N . 19637 1 228 . 1 1 53 53 GLY H H 1 8.678 0.01 . 1 . . . A 53 GLY H . 19637 1 229 . 1 1 53 53 GLY C C 13 171.536 0.1 . 1 . . . A 53 GLY C . 19637 1 230 . 1 1 53 53 GLY CA C 13 42.932 0.1 . 1 . . . A 53 GLY CA . 19637 1 231 . 1 1 53 53 GLY N N 15 114.998 0.1 . 1 . . . A 53 GLY N . 19637 1 232 . 1 1 54 54 VAL H H 1 8.734 0.01 . 1 . . . A 54 VAL H . 19637 1 233 . 1 1 54 54 VAL C C 13 173.309 0.1 . 1 . . . A 54 VAL C . 19637 1 234 . 1 1 54 54 VAL CA C 13 59.648 0.1 . 1 . . . A 54 VAL CA . 19637 1 235 . 1 1 54 54 VAL CB C 13 32.873 0.1 . 1 . . . A 54 VAL CB . 19637 1 236 . 1 1 54 54 VAL N N 15 118.327 0.1 . 1 . . . A 54 VAL N . 19637 1 237 . 1 1 55 55 GLU H H 1 9.084 0.01 . 1 . . . A 55 GLU H . 19637 1 238 . 1 1 55 55 GLU C C 13 173.575 0.1 . 1 . . . A 55 GLU C . 19637 1 239 . 1 1 55 55 GLU CA C 13 53.269 0.1 . 1 . . . A 55 GLU CA . 19637 1 240 . 1 1 55 55 GLU CB C 13 34.727 0.1 . 1 . . . A 55 GLU CB . 19637 1 241 . 1 1 55 55 GLU N N 15 126.907 0.1 . 1 . . . A 55 GLU N . 19637 1 242 . 1 1 56 56 LEU H H 1 9.168 0.01 . 1 . . . A 56 LEU H . 19637 1 243 . 1 1 56 56 LEU C C 13 174.786 0.1 . 1 . . . A 56 LEU C . 19637 1 244 . 1 1 56 56 LEU CA C 13 51.933 0.1 . 1 . . . A 56 LEU CA . 19637 1 245 . 1 1 56 56 LEU CB C 13 45.022 0.1 . 1 . . . A 56 LEU CB . 19637 1 246 . 1 1 56 56 LEU N N 15 126.739 0.1 . 1 . . . A 56 LEU N . 19637 1 247 . 1 1 57 57 LEU H H 1 9.174 0.01 . 1 . . . A 57 LEU H . 19637 1 248 . 1 1 57 57 LEU C C 13 174.579 0.1 . 1 . . . A 57 LEU C . 19637 1 249 . 1 1 57 57 LEU CA C 13 53.091 0.1 . 1 . . . A 57 LEU CA . 19637 1 250 . 1 1 57 57 LEU CB C 13 43.160 0.1 . 1 . . . A 57 LEU CB . 19637 1 251 . 1 1 57 57 LEU N N 15 127.189 0.1 . 1 . . . A 57 LEU N . 19637 1 252 . 1 1 58 58 ALA H H 1 9.435 0.01 . 1 . . . A 58 ALA H . 19637 1 253 . 1 1 58 58 ALA C C 13 172.925 0.1 . 1 . . . A 58 ALA C . 19637 1 254 . 1 1 58 58 ALA CA C 13 48.924 0.1 . 1 . . . A 58 ALA CA . 19637 1 255 . 1 1 58 58 ALA CB C 13 21.079 0.1 . 1 . . . A 58 ALA CB . 19637 1 256 . 1 1 58 58 ALA N N 15 125.061 0.1 . 1 . . . A 58 ALA N . 19637 1 257 . 1 1 59 59 ALA H H 1 6.833 0.01 . 1 . . . A 59 ALA H . 19637 1 258 . 1 1 59 59 ALA C C 13 176.248 0.1 . 1 . . . A 59 ALA C . 19637 1 259 . 1 1 59 59 ALA CA C 13 50.071 0.1 . 1 . . . A 59 ALA CA . 19637 1 260 . 1 1 59 59 ALA CB C 13 19.659 0.1 . 1 . . . A 59 ALA CB . 19637 1 261 . 1 1 59 59 ALA N N 15 116.911 0.1 . 1 . . . A 59 ALA N . 19637 1 262 . 1 1 60 60 THR H H 1 7.718 0.01 . 1 . . . A 60 THR H . 19637 1 263 . 1 1 60 60 THR C C 13 170.975 0.1 . 1 . . . A 60 THR C . 19637 1 264 . 1 1 60 60 THR CA C 13 59.515 0.1 . 1 . . . A 60 THR CA . 19637 1 265 . 1 1 60 60 THR CB C 13 63.487 0.1 . 1 . . . A 60 THR CB . 19637 1 266 . 1 1 60 60 THR N N 15 105.771 0.1 . 1 . . . A 60 THR N . 19637 1 267 . 1 1 62 62 PHE H H 1 8.251 0.01 . 1 . . . A 62 PHE H . 19637 1 268 . 1 1 62 62 PHE C C 13 174.934 0.1 . 1 . . . A 62 PHE C . 19637 1 269 . 1 1 62 62 PHE CA C 13 56.721 0.1 . 1 . . . A 62 PHE CA . 19637 1 270 . 1 1 62 62 PHE CB C 13 39.613 0.1 . 1 . . . A 62 PHE CB . 19637 1 271 . 1 1 62 62 PHE N N 15 122.473 0.1 . 1 . . . A 62 PHE N . 19637 1 272 . 1 1 63 63 ARG H H 1 7.378 0.01 . 1 . . . A 63 ARG H . 19637 1 273 . 1 1 63 63 ARG C C 13 174.423 0.1 . 1 . . . A 63 ARG C . 19637 1 274 . 1 1 63 63 ARG CA C 13 52.648 0.1 . 1 . . . A 63 ARG CA . 19637 1 275 . 1 1 63 63 ARG CB C 13 31.898 0.1 . 1 . . . A 63 ARG CB . 19637 1 276 . 1 1 63 63 ARG N N 15 118.016 0.1 . 1 . . . A 63 ARG N . 19637 1 277 . 1 1 64 64 HIS H H 1 8.588 0.01 . 1 . . . A 64 HIS H . 19637 1 278 . 1 1 64 64 HIS CA C 13 52.953 0.1 . 1 . . . A 64 HIS CA . 19637 1 279 . 1 1 64 64 HIS N N 15 120.040 0.1 . 1 . . . A 64 HIS N . 19637 1 280 . 1 1 66 66 ILE H H 1 8.726 0.01 . 1 . . . A 66 ILE H . 19637 1 281 . 1 1 66 66 ILE C C 13 175.141 0.1 . 1 . . . A 66 ILE C . 19637 1 282 . 1 1 66 66 ILE CA C 13 57.963 0.1 . 1 . . . A 66 ILE CA . 19637 1 283 . 1 1 66 66 ILE CB C 13 38.637 0.1 . 1 . . . A 66 ILE CB . 19637 1 284 . 1 1 66 66 ILE N N 15 122.668 0.1 . 1 . . . A 66 ILE N . 19637 1 285 . 1 1 67 67 GLY H H 1 8.780 0.01 . 1 . . . A 67 GLY H . 19637 1 286 . 1 1 67 67 GLY C C 13 172.570 0.1 . 1 . . . A 67 GLY C . 19637 1 287 . 1 1 67 67 GLY CA C 13 44.129 0.1 . 1 . . . A 67 GLY CA . 19637 1 288 . 1 1 67 67 GLY N N 15 114.948 0.1 . 1 . . . A 67 GLY N . 19637 1 289 . 1 1 68 68 THR H H 1 7.431 0.01 . 1 . . . A 68 THR H . 19637 1 290 . 1 1 68 68 THR C C 13 175.574 0.1 . 1 . . . A 68 THR C . 19637 1 291 . 1 1 68 68 THR CA C 13 58.672 0.1 . 1 . . . A 68 THR CA . 19637 1 292 . 1 1 68 68 THR CB C 13 71.270 0.1 . 1 . . . A 68 THR CB . 19637 1 293 . 1 1 68 68 THR N N 15 106.079 0.1 . 1 . . . A 68 THR N . 19637 1 294 . 1 1 69 69 ARG H H 1 8.783 0.01 . 1 . . . A 69 ARG H . 19637 1 295 . 1 1 69 69 ARG C C 13 178.298 0.1 . 1 . . . A 69 ARG C . 19637 1 296 . 1 1 69 69 ARG CA C 13 58.229 0.1 . 1 . . . A 69 ARG CA . 19637 1 297 . 1 1 69 69 ARG CB C 13 28.173 0.1 . 1 . . . A 69 ARG CB . 19637 1 298 . 1 1 69 69 ARG N N 15 122.303 0.1 . 1 . . . A 69 ARG N . 19637 1 299 . 1 1 70 70 ALA H H 1 8.262 0.01 . 1 . . . A 70 ALA H . 19637 1 300 . 1 1 70 70 ALA C C 13 179.281 0.1 . 1 . . . A 70 ALA C . 19637 1 301 . 1 1 70 70 ALA CA C 13 53.269 0.1 . 1 . . . A 70 ALA CA . 19637 1 302 . 1 1 70 70 ALA CB C 13 17.975 0.1 . 1 . . . A 70 ALA CB . 19637 1 303 . 1 1 70 70 ALA N N 15 117.681 0.1 . 1 . . . A 70 ALA N . 19637 1 304 . 1 1 71 71 THR H H 1 7.473 0.01 . 1 . . . A 71 THR H . 19637 1 305 . 1 1 71 71 THR C C 13 176.136 0.1 . 1 . . . A 71 THR C . 19637 1 306 . 1 1 71 71 THR CA C 13 60.895 0.1 . 1 . . . A 71 THR CA . 19637 1 307 . 1 1 71 71 THR CB C 13 70.383 0.1 . 1 . . . A 71 THR CB . 19637 1 308 . 1 1 71 71 THR N N 15 105.486 0.1 . 1 . . . A 71 THR N . 19637 1 309 . 1 1 72 72 GLY H H 1 8.194 0.01 . 1 . . . A 72 GLY H . 19637 1 310 . 1 1 72 72 GLY C C 13 175.052 0.1 . 1 . . . A 72 GLY C . 19637 1 311 . 1 1 72 72 GLY CA C 13 44.046 0.1 . 1 . . . A 72 GLY CA . 19637 1 312 . 1 1 72 72 GLY N N 15 111.099 0.1 . 1 . . . A 72 GLY N . 19637 1 313 . 1 1 73 73 ASP H H 1 8.668 0.01 . 1 . . . A 73 ASP H . 19637 1 314 . 1 1 73 73 ASP C C 13 177.889 0.1 . 1 . . . A 73 ASP C . 19637 1 315 . 1 1 73 73 ASP CA C 13 55.042 0.1 . 1 . . . A 73 ASP CA . 19637 1 316 . 1 1 73 73 ASP CB C 13 39.524 0.1 . 1 . . . A 73 ASP CB . 19637 1 317 . 1 1 73 73 ASP N N 15 121.919 0.1 . 1 . . . A 73 ASP N . 19637 1 318 . 1 1 74 74 ILE H H 1 9.327 0.01 . 1 . . . A 74 ILE H . 19637 1 319 . 1 1 74 74 ILE C C 13 175.013 0.1 . 1 . . . A 74 ILE C . 19637 1 320 . 1 1 74 74 ILE CA C 13 59.914 0.1 . 1 . . . A 74 ILE CA . 19637 1 321 . 1 1 74 74 ILE CB C 13 41.297 0.1 . 1 . . . A 74 ILE CB . 19637 1 322 . 1 1 74 74 ILE N N 15 117.113 0.1 . 1 . . . A 74 ILE N . 19637 1 323 . 1 1 75 75 ALA H H 1 8.086 0.01 . 1 . . . A 75 ALA H . 19637 1 324 . 1 1 75 75 ALA CA C 13 50.425 0.1 . 1 . . . A 75 ALA CA . 19637 1 325 . 1 1 75 75 ALA CB C 13 21.523 0.1 . 1 . . . A 75 ALA CB . 19637 1 326 . 1 1 75 75 ALA N N 15 121.329 0.1 . 1 . . . A 75 ALA N . 19637 1 327 . 1 1 76 76 THR H H 1 8.539 0.01 . 1 . . . A 76 THR H . 19637 1 328 . 1 1 76 76 THR C C 13 173.043 0.1 . 1 . . . A 76 THR C . 19637 1 329 . 1 1 76 76 THR CA C 13 60.540 0.1 . 1 . . . A 76 THR CA . 19637 1 330 . 1 1 76 76 THR CB C 13 69.674 0.1 . 1 . . . A 76 THR CB . 19637 1 331 . 1 1 76 76 THR N N 15 116.168 0.1 . 1 . . . A 76 THR N . 19637 1 332 . 1 1 77 77 VAL H H 1 8.578 0.01 . 1 . . . A 77 VAL H . 19637 1 333 . 1 1 77 77 VAL C C 13 174.964 0.1 . 1 . . . A 77 VAL C . 19637 1 334 . 1 1 77 77 VAL CA C 13 57.348 0.1 . 1 . . . A 77 VAL CA . 19637 1 335 . 1 1 77 77 VAL CB C 13 34.026 0.1 . 1 . . . A 77 VAL CB . 19637 1 336 . 1 1 77 77 VAL N N 15 117.996 0.1 . 1 . . . A 77 VAL N . 19637 1 337 . 1 1 78 78 HIS H H 1 7.822 0.01 . 1 . . . A 78 HIS H . 19637 1 338 . 1 1 78 78 HIS C C 13 173.634 0.1 . 1 . . . A 78 HIS C . 19637 1 339 . 1 1 78 78 HIS CA C 13 52.825 0.1 . 1 . . . A 78 HIS CA . 19637 1 340 . 1 1 78 78 HIS CB C 13 29.947 0.1 . 1 . . . A 78 HIS CB . 19637 1 341 . 1 1 78 78 HIS N N 15 116.541 0.1 . 1 . . . A 78 HIS N . 19637 1 342 . 1 1 79 79 HIS H H 1 7.912 0.01 . 1 . . . A 79 HIS H . 19637 1 343 . 1 1 79 79 HIS C C 13 173.841 0.1 . 1 . . . A 79 HIS C . 19637 1 344 . 1 1 79 79 HIS CA C 13 54.416 0.1 . 1 . . . A 79 HIS CA . 19637 1 345 . 1 1 79 79 HIS CB C 13 34.026 0.1 . 1 . . . A 79 HIS CB . 19637 1 346 . 1 1 79 79 HIS N N 15 113.176 0.1 . 1 . . . A 79 HIS N . 19637 1 347 . 1 1 80 80 LEU H H 1 8.205 0.01 . 1 . . . A 80 LEU H . 19637 1 348 . 1 1 80 80 LEU C C 13 177.821 0.1 . 1 . . . A 80 LEU C . 19637 1 349 . 1 1 80 80 LEU CA C 13 50.159 0.1 . 1 . . . A 80 LEU CA . 19637 1 350 . 1 1 80 80 LEU CB C 13 46.263 0.1 . 1 . . . A 80 LEU CB . 19637 1 351 . 1 1 80 80 LEU N N 15 118.153 0.1 . 1 . . . A 80 LEU N . 19637 1 352 . 1 1 83 83 THR H H 1 7.688 0.01 . 1 . . . A 83 THR H . 19637 1 353 . 1 1 83 83 THR C C 13 171.362 0.1 . 1 . . . A 83 THR C . 19637 1 354 . 1 1 83 83 THR CA C 13 60.540 0.1 . 1 . . . A 83 THR CA . 19637 1 355 . 1 1 83 83 THR CB C 13 72.068 0.1 . 1 . . . A 83 THR CB . 19637 1 356 . 1 1 83 83 THR N N 15 115.326 0.1 . 1 . . . A 83 THR N . 19637 1 357 . 1 1 84 84 LEU H H 1 9.013 0.01 . 1 . . . A 84 LEU H . 19637 1 358 . 1 1 84 84 LEU C C 13 174.373 0.1 . 1 . . . A 84 LEU C . 19637 1 359 . 1 1 84 84 LEU CA C 13 52.421 0.1 . 1 . . . A 84 LEU CA . 19637 1 360 . 1 1 84 84 LEU CB C 13 44.756 0.1 . 1 . . . A 84 LEU CB . 19637 1 361 . 1 1 84 84 LEU N N 15 129.848 0.1 . 1 . . . A 84 LEU N . 19637 1 362 . 1 1 85 85 MET H H 1 9.823 0.01 . 1 . . . A 85 MET H . 19637 1 363 . 1 1 85 85 MET C C 13 175.407 0.1 . 1 . . . A 85 MET C . 19637 1 364 . 1 1 85 85 MET CA C 13 52.421 0.1 . 1 . . . A 85 MET CA . 19637 1 365 . 1 1 85 85 MET CB C 13 34.558 0.1 . 1 . . . A 85 MET CB . 19637 1 366 . 1 1 85 85 MET N N 15 121.374 0.1 . 1 . . . A 85 MET N . 19637 1 367 . 1 1 86 86 ALA H H 1 9.080 0.01 . 1 . . . A 86 ALA H . 19637 1 368 . 1 1 86 86 ALA C C 13 176.205 0.1 . 1 . . . A 86 ALA C . 19637 1 369 . 1 1 86 86 ALA CA C 13 49.805 0.1 . 1 . . . A 86 ALA CA . 19637 1 370 . 1 1 86 86 ALA CB C 13 18.951 0.1 . 1 . . . A 86 ALA CB . 19637 1 371 . 1 1 86 86 ALA N N 15 123.689 0.1 . 1 . . . A 86 ALA N . 19637 1 372 . 1 1 87 87 GLN H H 1 9.061 0.01 . 1 . . . A 87 GLN H . 19637 1 373 . 1 1 87 87 GLN C C 13 175.495 0.1 . 1 . . . A 87 GLN C . 19637 1 374 . 1 1 87 87 GLN CA C 13 53.358 0.1 . 1 . . . A 87 GLN CA . 19637 1 375 . 1 1 87 87 GLN CB C 13 34.292 0.1 . 1 . . . A 87 GLN CB . 19637 1 376 . 1 1 87 87 GLN N N 15 116.548 0.1 . 1 . . . A 87 GLN N . 19637 1 377 . 1 1 88 88 TRP H H 1 8.893 0.01 . 1 . . . A 88 TRP H . 19637 1 378 . 1 1 88 88 TRP HE1 H 1 9.480 0.01 . 1 . . . A 88 TRP HE1 . 19637 1 379 . 1 1 88 88 TRP C C 13 174.727 0.1 . 1 . . . A 88 TRP C . 19637 1 380 . 1 1 88 88 TRP CA C 13 54.954 0.1 . 1 . . . A 88 TRP CA . 19637 1 381 . 1 1 88 88 TRP CB C 13 30.479 0.1 . 1 . . . A 88 TRP CB . 19637 1 382 . 1 1 88 88 TRP N N 15 119.609 0.1 . 1 . . . A 88 TRP N . 19637 1 383 . 1 1 88 88 TRP NE1 N 15 128.286 0.1 . 1 . . . A 88 TRP NE1 . 19637 1 384 . 1 1 89 89 TYR H H 1 8.815 0.01 . 1 . . . A 89 TYR H . 19637 1 385 . 1 1 89 89 TYR C C 13 176.382 0.1 . 1 . . . A 89 TYR C . 19637 1 386 . 1 1 89 89 TYR CA C 13 55.042 0.1 . 1 . . . A 89 TYR CA . 19637 1 387 . 1 1 89 89 TYR N N 15 124.849 0.1 . 1 . . . A 89 TYR N . 19637 1 388 . 1 1 90 90 PHE H H 1 9.171 0.01 . 1 . . . A 90 PHE H . 19637 1 389 . 1 1 90 90 PHE C C 13 176.304 0.1 . 1 . . . A 90 PHE C . 19637 1 390 . 1 1 90 90 PHE CA C 13 57.821 0.1 . 1 . . . A 90 PHE CA . 19637 1 391 . 1 1 90 90 PHE CB C 13 38.460 0.1 . 1 . . . A 90 PHE CB . 19637 1 392 . 1 1 90 90 PHE N N 15 122.137 0.1 . 1 . . . A 90 PHE N . 19637 1 393 . 1 1 91 91 GLY H H 1 9.342 0.01 . 1 . . . A 91 GLY H . 19637 1 394 . 1 1 91 91 GLY C C 13 172.748 0.1 . 1 . . . A 91 GLY C . 19637 1 395 . 1 1 91 91 GLY CA C 13 44.331 0.1 . 1 . . . A 91 GLY CA . 19637 1 396 . 1 1 91 91 GLY N N 15 108.961 0.1 . 1 . . . A 91 GLY N . 19637 1 397 . 1 1 92 92 ASP H H 1 8.612 0.01 . 1 . . . A 92 ASP H . 19637 1 398 . 1 1 92 92 ASP C C 13 175.968 0.1 . 1 . . . A 92 ASP C . 19637 1 399 . 1 1 92 92 ASP CA C 13 51.622 0.1 . 1 . . . A 92 ASP CA . 19637 1 400 . 1 1 92 92 ASP CB C 13 41.563 0.1 . 1 . . . A 92 ASP CB . 19637 1 401 . 1 1 92 92 ASP N N 15 119.869 0.1 . 1 . . . A 92 ASP N . 19637 1 402 . 1 1 93 93 ALA H H 1 8.673 0.01 . 1 . . . A 93 ALA H . 19637 1 403 . 1 1 93 93 ALA C C 13 178.748 0.1 . 1 . . . A 93 ALA C . 19637 1 404 . 1 1 93 93 ALA CA C 13 53.180 0.1 . 1 . . . A 93 ALA CA . 19637 1 405 . 1 1 93 93 ALA CB C 13 16.911 0.1 . 1 . . . A 93 ALA CB . 19637 1 406 . 1 1 93 93 ALA N N 15 117.665 0.1 . 1 . . . A 93 ALA N . 19637 1 407 . 1 1 94 94 SER H H 1 8.902 0.01 . 1 . . . A 94 SER H . 19637 1 408 . 1 1 94 94 SER C C 13 175.348 0.1 . 1 . . . A 94 SER C . 19637 1 409 . 1 1 94 94 SER CA C 13 58.185 0.1 . 1 . . . A 94 SER CA . 19637 1 410 . 1 1 94 94 SER CB C 13 62.757 0.1 . 1 . . . A 94 SER CB . 19637 1 411 . 1 1 94 94 SER N N 15 115.062 0.1 . 1 . . . A 94 SER N . 19637 1 412 . 1 1 95 95 SER H H 1 7.922 0.01 . 1 . . . A 95 SER H . 19637 1 413 . 1 1 95 95 SER CA C 13 58.451 0.1 . 1 . . . A 95 SER CA . 19637 1 414 . 1 1 95 95 SER CB C 13 62.580 0.1 . 1 . . . A 95 SER CB . 19637 1 415 . 1 1 95 95 SER N N 15 120.754 0.1 . 1 . . . A 95 SER N . 19637 1 416 . 1 1 96 96 LYS H H 1 8.555 0.01 . 1 . . . A 96 LYS H . 19637 1 417 . 1 1 96 96 LYS CA C 13 54.599 0.1 . 1 . . . A 96 LYS CA . 19637 1 418 . 1 1 96 96 LYS CB C 13 31.366 0.1 . 1 . . . A 96 LYS CB . 19637 1 419 . 1 1 96 96 LYS N N 15 120.924 0.1 . 1 . . . A 96 LYS N . 19637 1 420 . 1 1 97 97 PHE H H 1 7.596 0.01 . 1 . . . A 97 PHE H . 19637 1 421 . 1 1 97 97 PHE CA C 13 54.688 0.1 . 1 . . . A 97 PHE CA . 19637 1 422 . 1 1 97 97 PHE CB C 13 40.322 0.1 . 1 . . . A 97 PHE CB . 19637 1 423 . 1 1 97 97 PHE N N 15 117.773 0.1 . 1 . . . A 97 PHE N . 19637 1 424 . 1 1 98 98 ARG H H 1 8.823 0.01 . 1 . . . A 98 ARG H . 19637 1 425 . 1 1 98 98 ARG C C 13 173.047 0.1 . 1 . . . A 98 ARG C . 19637 1 426 . 1 1 98 98 ARG CA C 13 52.471 0.1 . 1 . . . A 98 ARG CA . 19637 1 427 . 1 1 98 98 ARG CB C 13 31.632 0.1 . 1 . . . A 98 ARG CB . 19637 1 428 . 1 1 98 98 ARG N N 15 120.982 0.1 . 1 . . . A 98 ARG N . 19637 1 429 . 1 1 100 100 TYR H H 1 8.885 0.01 . 1 . . . A 100 TYR H . 19637 1 430 . 1 1 100 100 TYR C C 13 173.047 0.1 . 1 . . . A 100 TYR C . 19637 1 431 . 1 1 100 100 TYR CA C 13 54.954 0.1 . 1 . . . A 100 TYR CA . 19637 1 432 . 1 1 100 100 TYR CB C 13 39.524 0.1 . 1 . . . A 100 TYR CB . 19637 1 433 . 1 1 100 100 TYR N N 15 117.775 0.1 . 1 . . . A 100 TYR N . 19637 1 434 . 1 1 101 101 VAL H H 1 8.365 0.01 . 1 . . . A 101 VAL H . 19637 1 435 . 1 1 101 101 VAL C C 13 173.457 0.1 . 1 . . . A 101 VAL C . 19637 1 436 . 1 1 101 101 VAL CA C 13 57.105 0.1 . 1 . . . A 101 VAL CA . 19637 1 437 . 1 1 101 101 VAL CB C 13 34.381 0.1 . 1 . . . A 101 VAL CB . 19637 1 438 . 1 1 101 101 VAL N N 15 111.744 0.1 . 1 . . . A 101 VAL N . 19637 1 439 . 1 1 102 102 GLY H H 1 8.271 0.01 . 1 . . . A 102 GLY H . 19637 1 440 . 1 1 102 102 GLY C C 13 171.241 0.1 . 1 . . . A 102 GLY C . 19637 1 441 . 1 1 102 102 GLY CA C 13 44.972 0.1 . 1 . . . A 102 GLY CA . 19637 1 442 . 1 1 102 102 GLY N N 15 108.300 0.1 . 1 . . . A 102 GLY N . 19637 1 443 . 1 1 103 103 ALA H H 1 9.048 0.01 . 1 . . . A 103 ALA H . 19637 1 444 . 1 1 103 103 ALA C C 13 175.614 0.1 . 1 . . . A 103 ALA C . 19637 1 445 . 1 1 103 103 ALA CA C 13 49.833 0.1 . 1 . . . A 103 ALA CA . 19637 1 446 . 1 1 103 103 ALA CB C 13 21.718 0.1 . 1 . . . A 103 ALA CB . 19637 1 447 . 1 1 103 103 ALA N N 15 120.836 0.1 . 1 . . . A 103 ALA N . 19637 1 448 . 1 1 104 104 GLY H H 1 8.661 0.01 . 1 . . . A 104 GLY H . 19637 1 449 . 1 1 104 104 GLY C C 13 171.832 0.1 . 1 . . . A 104 GLY C . 19637 1 450 . 1 1 104 104 GLY CA C 13 46.479 0.1 . 1 . . . A 104 GLY CA . 19637 1 451 . 1 1 104 104 GLY N N 15 107.477 0.1 . 1 . . . A 104 GLY N . 19637 1 452 . 1 1 105 105 ILE H H 1 9.020 0.01 . 1 . . . A 105 ILE H . 19637 1 453 . 1 1 105 105 ILE C C 13 172.275 0.1 . 1 . . . A 105 ILE C . 19637 1 454 . 1 1 105 105 ILE CA C 13 57.348 0.1 . 1 . . . A 105 ILE CA . 19637 1 455 . 1 1 105 105 ILE CB C 13 41.652 0.1 . 1 . . . A 105 ILE CB . 19637 1 456 . 1 1 105 105 ILE N N 15 118.575 0.1 . 1 . . . A 105 ILE N . 19637 1 457 . 1 1 106 106 ASN H H 1 9.659 0.01 . 1 . . . A 106 ASN H . 19637 1 458 . 1 1 106 106 ASN C C 13 171.418 0.1 . 1 . . . A 106 ASN C . 19637 1 459 . 1 1 106 106 ASN CA C 13 51.584 0.1 . 1 . . . A 106 ASN CA . 19637 1 460 . 1 1 106 106 ASN CB C 13 40.854 0.1 . 1 . . . A 106 ASN CB . 19637 1 461 . 1 1 106 106 ASN N N 15 123.879 0.1 . 1 . . . A 106 ASN N . 19637 1 462 . 1 1 107 107 TYR H H 1 8.273 0.01 . 1 . . . A 107 TYR H . 19637 1 463 . 1 1 107 107 TYR C C 13 173.073 0.1 . 1 . . . A 107 TYR C . 19637 1 464 . 1 1 107 107 TYR CA C 13 54.504 0.1 . 1 . . . A 107 TYR CA . 19637 1 465 . 1 1 107 107 TYR CB C 13 40.854 0.1 . 1 . . . A 107 TYR CB . 19637 1 466 . 1 1 107 107 TYR N N 15 125.744 0.1 . 1 . . . A 107 TYR N . 19637 1 467 . 1 1 108 108 THR H H 1 8.446 0.01 . 1 . . . A 108 THR H . 19637 1 468 . 1 1 108 108 THR C C 13 172.457 0.1 . 1 . . . A 108 THR C . 19637 1 469 . 1 1 108 108 THR CA C 13 60.452 0.1 . 1 . . . A 108 THR CA . 19637 1 470 . 1 1 108 108 THR CB C 13 69.319 0.1 . 1 . . . A 108 THR CB . 19637 1 471 . 1 1 108 108 THR N N 15 119.337 0.1 . 1 . . . A 108 THR N . 19637 1 472 . 1 1 109 109 THR H H 1 7.548 0.01 . 1 . . . A 109 THR H . 19637 1 473 . 1 1 109 109 THR C C 13 171.625 0.1 . 1 . . . A 109 THR C . 19637 1 474 . 1 1 109 109 THR CA C 13 56.810 0.1 . 1 . . . A 109 THR CA . 19637 1 475 . 1 1 109 109 THR N N 15 118.655 0.1 . 1 . . . A 109 THR N . 19637 1 476 . 1 1 112 112 ASP H H 1 8.995 0.01 . 1 . . . A 112 ASP H . 19637 1 477 . 1 1 112 112 ASP C C 13 175.490 0.1 . 1 . . . A 112 ASP C . 19637 1 478 . 1 1 112 112 ASP CA C 13 53.884 0.1 . 1 . . . A 112 ASP CA . 19637 1 479 . 1 1 112 112 ASP CB C 13 37.662 0.1 . 1 . . . A 112 ASP CB . 19637 1 480 . 1 1 112 112 ASP N N 15 116.796 0.1 . 1 . . . A 112 ASP N . 19637 1 481 . 1 1 113 113 ASN H H 1 8.410 0.01 . 1 . . . A 113 ASN H . 19637 1 482 . 1 1 113 113 ASN C C 13 175.702 0.1 . 1 . . . A 113 ASN C . 19637 1 483 . 1 1 113 113 ASN CA C 13 50.736 0.1 . 1 . . . A 113 ASN CA . 19637 1 484 . 1 1 113 113 ASN CB C 13 39.348 0.1 . 1 . . . A 113 ASN CB . 19637 1 485 . 1 1 113 113 ASN N N 15 117.801 0.1 . 1 . . . A 113 ASN N . 19637 1 486 . 1 1 114 114 GLY H H 1 8.557 0.01 . 1 . . . A 114 GLY H . 19637 1 487 . 1 1 114 114 GLY C C 13 171.979 0.1 . 1 . . . A 114 GLY C . 19637 1 488 . 1 1 114 114 GLY CA C 13 44.794 0.1 . 1 . . . A 114 GLY CA . 19637 1 489 . 1 1 114 114 GLY N N 15 107.744 0.1 . 1 . . . A 114 GLY N . 19637 1 490 . 1 1 115 115 PHE H H 1 8.607 0.01 . 1 . . . A 115 PHE H . 19637 1 491 . 1 1 115 115 PHE C C 13 176.192 0.1 . 1 . . . A 115 PHE C . 19637 1 492 . 1 1 115 115 PHE CA C 13 57.490 0.1 . 1 . . . A 115 PHE CA . 19637 1 493 . 1 1 115 115 PHE CB C 13 39.081 0.1 . 1 . . . A 115 PHE CB . 19637 1 494 . 1 1 115 115 PHE N N 15 119.554 0.1 . 1 . . . A 115 PHE N . 19637 1 495 . 1 1 116 116 ASN H H 1 8.240 0.01 . 1 . . . A 116 ASN H . 19637 1 496 . 1 1 116 116 ASN C C 13 175.407 0.1 . 1 . . . A 116 ASN C . 19637 1 497 . 1 1 116 116 ASN CA C 13 50.071 0.1 . 1 . . . A 116 ASN CA . 19637 1 498 . 1 1 116 116 ASN CB C 13 37.041 0.1 . 1 . . . A 116 ASN CB . 19637 1 499 . 1 1 116 116 ASN N N 15 120.356 0.1 . 1 . . . A 116 ASN N . 19637 1 500 . 1 1 117 117 ASP H H 1 8.460 0.01 . 1 . . . A 117 ASP H . 19637 1 501 . 1 1 117 117 ASP C C 13 178.298 0.1 . 1 . . . A 117 ASP C . 19637 1 502 . 1 1 117 117 ASP CA C 13 57.348 0.1 . 1 . . . A 117 ASP CA . 19637 1 503 . 1 1 117 117 ASP CB C 13 38.548 0.1 . 1 . . . A 117 ASP CB . 19637 1 504 . 1 1 117 117 ASP N N 15 117.610 0.1 . 1 . . . A 117 ASP N . 19637 1 505 . 1 1 118 118 HIS H H 1 8.185 0.01 . 1 . . . A 118 HIS H . 19637 1 506 . 1 1 118 118 HIS C C 13 177.821 0.1 . 1 . . . A 118 HIS C . 19637 1 507 . 1 1 118 118 HIS CA C 13 56.766 0.1 . 1 . . . A 118 HIS CA . 19637 1 508 . 1 1 118 118 HIS CB C 13 26.727 0.1 . 1 . . . A 118 HIS CB . 19637 1 509 . 1 1 118 118 HIS N N 15 118.493 0.1 . 1 . . . A 118 HIS N . 19637 1 510 . 1 1 119 119 GLY H H 1 8.788 0.01 . 1 . . . A 119 GLY H . 19637 1 511 . 1 1 119 119 GLY C C 13 175.082 0.1 . 1 . . . A 119 GLY C . 19637 1 512 . 1 1 119 119 GLY CA C 13 46.612 0.1 . 1 . . . A 119 GLY CA . 19637 1 513 . 1 1 119 119 GLY N N 15 107.937 0.1 . 1 . . . A 119 GLY N . 19637 1 514 . 1 1 120 120 LYS H H 1 8.890 0.01 . 1 . . . A 120 LYS H . 19637 1 515 . 1 1 120 120 LYS C C 13 181.612 0.1 . 1 . . . A 120 LYS C . 19637 1 516 . 1 1 120 120 LYS CA C 13 58.717 0.1 . 1 . . . A 120 LYS CA . 19637 1 517 . 1 1 120 120 LYS CB C 13 30.656 0.1 . 1 . . . A 120 LYS CB . 19637 1 518 . 1 1 120 120 LYS N N 15 122.898 0.1 . 1 . . . A 120 LYS N . 19637 1 519 . 1 1 121 121 GLU H H 1 8.234 0.01 . 1 . . . A 121 GLU H . 19637 1 520 . 1 1 121 121 GLU C C 13 177.327 0.1 . 1 . . . A 121 GLU C . 19637 1 521 . 1 1 121 121 GLU CA C 13 57.653 0.1 . 1 . . . A 121 GLU CA . 19637 1 522 . 1 1 121 121 GLU CB C 13 27.730 0.1 . 1 . . . A 121 GLU CB . 19637 1 523 . 1 1 121 121 GLU N N 15 120.995 0.1 . 1 . . . A 121 GLU N . 19637 1 524 . 1 1 122 122 ALA H H 1 7.259 0.01 . 1 . . . A 122 ALA H . 19637 1 525 . 1 1 122 122 ALA C C 13 176.500 0.1 . 1 . . . A 122 ALA C . 19637 1 526 . 1 1 122 122 ALA CA C 13 51.042 0.1 . 1 . . . A 122 ALA CA . 19637 1 527 . 1 1 122 122 ALA CB C 13 16.710 0.1 . 1 . . . A 122 ALA CB . 19637 1 528 . 1 1 122 122 ALA N N 15 119.811 0.1 . 1 . . . A 122 ALA N . 19637 1 529 . 1 1 123 123 GLY H H 1 7.745 0.01 . 1 . . . A 123 GLY H . 19637 1 530 . 1 1 123 123 GLY C C 13 175.082 0.1 . 1 . . . A 123 GLY C . 19637 1 531 . 1 1 123 123 GLY CA C 13 44.264 0.1 . 1 . . . A 123 GLY CA . 19637 1 532 . 1 1 123 123 GLY N N 15 103.863 0.1 . 1 . . . A 123 GLY N . 19637 1 533 . 1 1 124 124 LEU H H 1 7.461 0.01 . 1 . . . A 124 LEU H . 19637 1 534 . 1 1 124 124 LEU C C 13 176.293 0.1 . 1 . . . A 124 LEU C . 19637 1 535 . 1 1 124 124 LEU CA C 13 53.269 0.1 . 1 . . . A 124 LEU CA . 19637 1 536 . 1 1 124 124 LEU CB C 13 38.016 0.1 . 1 . . . A 124 LEU CB . 19637 1 537 . 1 1 124 124 LEU N N 15 123.722 0.1 . 1 . . . A 124 LEU N . 19637 1 538 . 1 1 125 125 SER H H 1 8.809 0.01 . 1 . . . A 125 SER H . 19637 1 539 . 1 1 125 125 SER C C 13 173.250 0.1 . 1 . . . A 125 SER C . 19637 1 540 . 1 1 125 125 SER CA C 13 57.259 0.1 . 1 . . . A 125 SER CA . 19637 1 541 . 1 1 125 125 SER CB C 13 65.684 0.1 . 1 . . . A 125 SER CB . 19637 1 542 . 1 1 125 125 SER N N 15 114.112 0.1 . 1 . . . A 125 SER N . 19637 1 543 . 1 1 126 126 ASP H H 1 9.035 0.01 . 1 . . . A 126 ASP H . 19637 1 544 . 1 1 126 126 ASP C C 13 174.107 0.1 . 1 . . . A 126 ASP C . 19637 1 545 . 1 1 126 126 ASP CA C 13 54.593 0.1 . 1 . . . A 126 ASP CA . 19637 1 546 . 1 1 126 126 ASP CB C 13 38.726 0.1 . 1 . . . A 126 ASP CB . 19637 1 547 . 1 1 126 126 ASP N N 15 117.817 0.1 . 1 . . . A 126 ASP N . 19637 1 548 . 1 1 127 127 LEU H H 1 8.109 0.01 . 1 . . . A 127 LEU H . 19637 1 549 . 1 1 127 127 LEU C C 13 176.726 0.1 . 1 . . . A 127 LEU C . 19637 1 550 . 1 1 127 127 LEU CA C 13 54.371 0.1 . 1 . . . A 127 LEU CA . 19637 1 551 . 1 1 127 127 LEU CB C 13 40.322 0.1 . 1 . . . A 127 LEU CB . 19637 1 552 . 1 1 127 127 LEU N N 15 120.160 0.1 . 1 . . . A 127 LEU N . 19637 1 553 . 1 1 128 128 SER H H 1 9.499 0.01 . 1 . . . A 128 SER H . 19637 1 554 . 1 1 128 128 SER C C 13 172.038 0.1 . 1 . . . A 128 SER C . 19637 1 555 . 1 1 128 128 SER CA C 13 57.120 0.1 . 1 . . . A 128 SER CA . 19637 1 556 . 1 1 128 128 SER CB C 13 64.353 0.1 . 1 . . . A 128 SER CB . 19637 1 557 . 1 1 128 128 SER N N 15 120.909 0.1 . 1 . . . A 128 SER N . 19637 1 558 . 1 1 129 129 LEU H H 1 8.182 0.01 . 1 . . . A 129 LEU H . 19637 1 559 . 1 1 129 129 LEU C C 13 176.411 0.1 . 1 . . . A 129 LEU C . 19637 1 560 . 1 1 129 129 LEU CA C 13 53.839 0.1 . 1 . . . A 129 LEU CA . 19637 1 561 . 1 1 129 129 LEU CB C 13 42.539 0.1 . 1 . . . A 129 LEU CB . 19637 1 562 . 1 1 129 129 LEU N N 15 122.260 0.1 . 1 . . . A 129 LEU N . 19637 1 563 . 1 1 130 130 LYS H H 1 7.536 0.01 . 1 . . . A 130 LYS H . 19637 1 564 . 1 1 130 130 LYS C C 13 176.754 0.1 . 1 . . . A 130 LYS C . 19637 1 565 . 1 1 130 130 LYS CA C 13 55.042 0.1 . 1 . . . A 130 LYS CA . 19637 1 566 . 1 1 130 130 LYS CB C 13 32.518 0.1 . 1 . . . A 130 LYS CB . 19637 1 567 . 1 1 130 130 LYS N N 15 122.490 0.1 . 1 . . . A 130 LYS N . 19637 1 568 . 1 1 131 131 ASP H H 1 8.782 0.01 . 1 . . . A 131 ASP H . 19637 1 569 . 1 1 131 131 ASP C C 13 175.998 0.1 . 1 . . . A 131 ASP C . 19637 1 570 . 1 1 131 131 ASP CA C 13 54.460 0.1 . 1 . . . A 131 ASP CA . 19637 1 571 . 1 1 131 131 ASP CB C 13 40.233 0.1 . 1 . . . A 131 ASP CB . 19637 1 572 . 1 1 131 131 ASP N N 15 123.217 0.1 . 1 . . . A 131 ASP N . 19637 1 573 . 1 1 132 132 SER H H 1 9.016 0.01 . 1 . . . A 132 SER H . 19637 1 574 . 1 1 132 132 SER C C 13 171.920 0.1 . 1 . . . A 132 SER C . 19637 1 575 . 1 1 132 132 SER CA C 13 55.790 0.1 . 1 . . . A 132 SER CA . 19637 1 576 . 1 1 132 132 SER CB C 13 64.087 0.1 . 1 . . . A 132 SER CB . 19637 1 577 . 1 1 132 132 SER N N 15 115.445 0.1 . 1 . . . A 132 SER N . 19637 1 578 . 1 1 133 133 TRP H H 1 7.896 0.01 . 1 . . . A 133 TRP H . 19637 1 579 . 1 1 133 133 TRP C C 13 178.243 0.1 . 1 . . . A 133 TRP C . 19637 1 580 . 1 1 133 133 TRP CA C 13 55.309 0.1 . 1 . . . A 133 TRP CA . 19637 1 581 . 1 1 133 133 TRP CB C 13 31.401 0.1 . 1 . . . A 133 TRP CB . 19637 1 582 . 1 1 133 133 TRP N N 15 124.389 0.1 . 1 . . . A 133 TRP N . 19637 1 583 . 1 1 134 134 GLY H H 1 8.896 0.01 . 1 . . . A 134 GLY H . 19637 1 584 . 1 1 134 134 GLY C C 13 171.123 0.1 . 1 . . . A 134 GLY C . 19637 1 585 . 1 1 134 134 GLY CA C 13 44.750 0.1 . 1 . . . A 134 GLY CA . 19637 1 586 . 1 1 134 134 GLY N N 15 107.658 0.1 . 1 . . . A 134 GLY N . 19637 1 587 . 1 1 135 135 ALA H H 1 8.946 0.01 . 1 . . . A 135 ALA H . 19637 1 588 . 1 1 135 135 ALA C C 13 174.875 0.1 . 1 . . . A 135 ALA C . 19637 1 589 . 1 1 135 135 ALA CA C 13 51.141 0.1 . 1 . . . A 135 ALA CA . 19637 1 590 . 1 1 135 135 ALA CB C 13 19.306 0.1 . 1 . . . A 135 ALA CB . 19637 1 591 . 1 1 135 135 ALA N N 15 122.244 0.1 . 1 . . . A 135 ALA N . 19637 1 592 . 1 1 136 136 ALA H H 1 8.111 0.01 . 1 . . . A 136 ALA H . 19637 1 593 . 1 1 136 136 ALA C C 13 175.434 0.1 . 1 . . . A 136 ALA C . 19637 1 594 . 1 1 136 136 ALA CA C 13 49.494 0.1 . 1 . . . A 136 ALA CA . 19637 1 595 . 1 1 136 136 ALA CB C 13 23.207 0.1 . 1 . . . A 136 ALA CB . 19637 1 596 . 1 1 136 136 ALA N N 15 118.579 0.1 . 1 . . . A 136 ALA N . 19637 1 597 . 1 1 137 137 GLY H H 1 8.933 0.01 . 1 . . . A 137 GLY H . 19637 1 598 . 1 1 137 137 GLY C C 13 171.300 0.1 . 1 . . . A 137 GLY C . 19637 1 599 . 1 1 137 137 GLY CA C 13 43.182 0.1 . 1 . . . A 137 GLY CA . 19637 1 600 . 1 1 137 137 GLY N N 15 105.005 0.1 . 1 . . . A 137 GLY N . 19637 1 601 . 1 1 138 138 GLN H H 1 8.559 0.01 . 1 . . . A 138 GLN H . 19637 1 602 . 1 1 138 138 GLN CA C 13 53.263 0.1 . 1 . . . A 138 GLN CA . 19637 1 603 . 1 1 138 138 GLN N N 15 115.695 0.1 . 1 . . . A 138 GLN N . 19637 1 604 . 1 1 140 140 GLY H H 1 7.936 0.01 . 1 . . . A 140 GLY H . 19637 1 605 . 1 1 140 140 GLY C C 13 171.329 0.1 . 1 . . . A 140 GLY C . 19637 1 606 . 1 1 140 140 GLY CA C 13 44.617 0.1 . 1 . . . A 140 GLY CA . 19637 1 607 . 1 1 140 140 GLY N N 15 110.307 0.1 . 1 . . . A 140 GLY N . 19637 1 608 . 1 1 141 141 VAL H H 1 8.646 0.01 . 1 . . . A 141 VAL H . 19637 1 609 . 1 1 141 141 VAL C C 13 171.979 0.1 . 1 . . . A 141 VAL C . 19637 1 610 . 1 1 141 141 VAL CA C 13 59.914 0.1 . 1 . . . A 141 VAL CA . 19637 1 611 . 1 1 141 141 VAL CB C 13 33.937 0.1 . 1 . . . A 141 VAL CB . 19637 1 612 . 1 1 141 141 VAL N N 15 112.233 0.1 . 1 . . . A 141 VAL N . 19637 1 613 . 1 1 142 142 ASP H H 1 7.402 0.01 . 1 . . . A 142 ASP H . 19637 1 614 . 1 1 142 142 ASP C C 13 175.259 0.1 . 1 . . . A 142 ASP C . 19637 1 615 . 1 1 142 142 ASP CA C 13 51.711 0.1 . 1 . . . A 142 ASP CA . 19637 1 616 . 1 1 142 142 ASP CB C 13 43.780 0.1 . 1 . . . A 142 ASP CB . 19637 1 617 . 1 1 142 142 ASP N N 15 122.520 0.1 . 1 . . . A 142 ASP N . 19637 1 618 . 1 1 143 143 TYR H H 1 9.396 0.01 . 1 . . . A 143 TYR H . 19637 1 619 . 1 1 143 143 TYR C C 13 173.870 0.1 . 1 . . . A 143 TYR C . 19637 1 620 . 1 1 143 143 TYR CA C 13 54.948 0.1 . 1 . . . A 143 TYR CA . 19637 1 621 . 1 1 143 143 TYR CB C 13 40.765 0.1 . 1 . . . A 143 TYR CB . 19637 1 622 . 1 1 143 143 TYR N N 15 122.331 0.1 . 1 . . . A 143 TYR N . 19637 1 623 . 1 1 144 144 LEU H H 1 8.313 0.01 . 1 . . . A 144 LEU H . 19637 1 624 . 1 1 144 144 LEU C C 13 174.786 0.1 . 1 . . . A 144 LEU C . 19637 1 625 . 1 1 144 144 LEU CA C 13 55.524 0.1 . 1 . . . A 144 LEU CA . 19637 1 626 . 1 1 144 144 LEU CB C 13 40.677 0.1 . 1 . . . A 144 LEU CB . 19637 1 627 . 1 1 144 144 LEU N N 15 130.341 0.1 . 1 . . . A 144 LEU N . 19637 1 628 . 1 1 145 145 ILE H H 1 8.809 0.01 . 1 . . . A 145 ILE H . 19637 1 629 . 1 1 145 145 ILE C C 13 177.593 0.1 . 1 . . . A 145 ILE C . 19637 1 630 . 1 1 145 145 ILE CA C 13 60.097 0.1 . 1 . . . A 145 ILE CA . 19637 1 631 . 1 1 145 145 ILE CB C 13 36.864 0.1 . 1 . . . A 145 ILE CB . 19637 1 632 . 1 1 145 145 ILE N N 15 124.602 0.1 . 1 . . . A 145 ILE N . 19637 1 633 . 1 1 146 146 ASN H H 1 8.362 0.01 . 1 . . . A 146 ASN H . 19637 1 634 . 1 1 146 146 ASN CA C 13 51.318 0.1 . 1 . . . A 146 ASN CA . 19637 1 635 . 1 1 146 146 ASN CB C 13 36.952 0.1 . 1 . . . A 146 ASN CB . 19637 1 636 . 1 1 146 146 ASN N N 15 118.348 0.1 . 1 . . . A 146 ASN N . 19637 1 637 . 1 1 147 147 ARG H H 1 8.072 0.01 . 1 . . . A 147 ARG H . 19637 1 638 . 1 1 147 147 ARG C C 13 176.470 0.1 . 1 . . . A 147 ARG C . 19637 1 639 . 1 1 147 147 ARG CA C 13 58.584 0.1 . 1 . . . A 147 ARG CA . 19637 1 640 . 1 1 147 147 ARG CB C 13 28.705 0.1 . 1 . . . A 147 ARG CB . 19637 1 641 . 1 1 147 147 ARG N N 15 113.940 0.1 . 1 . . . A 147 ARG N . 19637 1 642 . 1 1 148 148 ASP H H 1 7.668 0.01 . 1 . . . A 148 ASP H . 19637 1 643 . 1 1 148 148 ASP C C 13 174.373 0.1 . 1 . . . A 148 ASP C . 19637 1 644 . 1 1 148 148 ASP CA C 13 54.327 0.1 . 1 . . . A 148 ASP CA . 19637 1 645 . 1 1 148 148 ASP CB C 13 42.628 0.1 . 1 . . . A 148 ASP CB . 19637 1 646 . 1 1 148 148 ASP N N 15 112.938 0.1 . 1 . . . A 148 ASP N . 19637 1 647 . 1 1 149 149 TRP H H 1 7.788 0.01 . 1 . . . A 149 TRP H . 19637 1 648 . 1 1 149 149 TRP HE1 H 1 10.492 0.01 . 1 . . . A 149 TRP HE1 . 19637 1 649 . 1 1 149 149 TRP C C 13 175.574 0.1 . 1 . . . A 149 TRP C . 19637 1 650 . 1 1 149 149 TRP CA C 13 55.486 0.1 . 1 . . . A 149 TRP CA . 19637 1 651 . 1 1 149 149 TRP CB C 13 31.720 0.1 . 1 . . . A 149 TRP CB . 19637 1 652 . 1 1 149 149 TRP N N 15 116.148 0.1 . 1 . . . A 149 TRP N . 19637 1 653 . 1 1 149 149 TRP NE1 N 15 128.500 0.1 . 1 . . . A 149 TRP NE1 . 19637 1 654 . 1 1 150 150 LEU H H 1 9.306 0.01 . 1 . . . A 150 LEU H . 19637 1 655 . 1 1 150 150 LEU C C 13 175.141 0.1 . 1 . . . A 150 LEU C . 19637 1 656 . 1 1 150 150 LEU CA C 13 52.155 0.1 . 1 . . . A 150 LEU CA . 19637 1 657 . 1 1 150 150 LEU CB C 13 44.401 0.1 . 1 . . . A 150 LEU CB . 19637 1 658 . 1 1 150 150 LEU N N 15 118.106 0.1 . 1 . . . A 150 LEU N . 19637 1 659 . 1 1 151 151 VAL H H 1 9.293 0.01 . 1 . . . A 151 VAL H . 19637 1 660 . 1 1 151 151 VAL C C 13 173.524 0.1 . 1 . . . A 151 VAL C . 19637 1 661 . 1 1 151 151 VAL CA C 13 59.299 0.1 . 1 . . . A 151 VAL CA . 19637 1 662 . 1 1 151 151 VAL CB C 13 33.849 0.1 . 1 . . . A 151 VAL CB . 19637 1 663 . 1 1 151 151 VAL N N 15 115.211 0.1 . 1 . . . A 151 VAL N . 19637 1 664 . 1 1 152 152 ASN H H 1 8.893 0.01 . 1 . . . A 152 ASN H . 19637 1 665 . 1 1 152 152 ASN CA C 13 51.755 0.1 . 1 . . . A 152 ASN CA . 19637 1 666 . 1 1 152 152 ASN CB C 13 42.628 0.1 . 1 . . . A 152 ASN CB . 19637 1 667 . 1 1 152 152 ASN N N 15 124.526 0.1 . 1 . . . A 152 ASN N . 19637 1 668 . 1 1 153 153 MET H H 1 8.003 0.01 . 1 . . . A 153 MET H . 19637 1 669 . 1 1 153 153 MET C C 13 173.987 0.1 . 1 . . . A 153 MET C . 19637 1 670 . 1 1 153 153 MET CA C 13 54.017 0.1 . 1 . . . A 153 MET CA . 19637 1 671 . 1 1 153 153 MET CB C 13 36.243 0.1 . 1 . . . A 153 MET CB . 19637 1 672 . 1 1 153 153 MET N N 15 118.533 0.1 . 1 . . . A 153 MET N . 19637 1 673 . 1 1 154 154 SER H H 1 9.191 0.01 . 1 . . . A 154 SER H . 19637 1 674 . 1 1 154 154 SER C C 13 172.120 0.1 . 1 . . . A 154 SER C . 19637 1 675 . 1 1 154 154 SER CA C 13 56.550 0.1 . 1 . . . A 154 SER CA . 19637 1 676 . 1 1 154 154 SER CB C 13 64.619 0.1 . 1 . . . A 154 SER CB . 19637 1 677 . 1 1 154 154 SER N N 15 113.225 0.1 . 1 . . . A 154 SER N . 19637 1 678 . 1 1 155 155 VAL H H 1 9.190 0.01 . 1 . . . A 155 VAL H . 19637 1 679 . 1 1 155 155 VAL C C 13 173.973 0.1 . 1 . . . A 155 VAL C . 19637 1 680 . 1 1 155 155 VAL CA C 13 59.382 0.1 . 1 . . . A 155 VAL CA . 19637 1 681 . 1 1 155 155 VAL N N 15 119.543 0.1 . 1 . . . A 155 VAL N . 19637 1 682 . 1 1 156 156 TRP H H 1 9.883 0.01 . 1 . . . A 156 TRP H . 19637 1 683 . 1 1 156 156 TRP C C 13 175.237 0.1 . 1 . . . A 156 TRP C . 19637 1 684 . 1 1 156 156 TRP CA C 13 53.263 0.1 . 1 . . . A 156 TRP CA . 19637 1 685 . 1 1 156 156 TRP CB C 13 33.228 0.1 . 1 . . . A 156 TRP CB . 19637 1 686 . 1 1 156 156 TRP N N 15 124.596 0.1 . 1 . . . A 156 TRP N . 19637 1 687 . 1 1 160 160 ILE H H 1 7.948 0.01 . 1 . . . A 160 ILE H . 19637 1 688 . 1 1 160 160 ILE C C 13 173.545 0.1 . 1 . . . A 160 ILE C . 19637 1 689 . 1 1 160 160 ILE CA C 13 60.269 0.1 . 1 . . . A 160 ILE CA . 19637 1 690 . 1 1 160 160 ILE N N 15 123.211 0.1 . 1 . . . A 160 ILE N . 19637 1 691 . 1 1 161 161 ASP H H 1 8.302 0.01 . 1 . . . A 161 ASP H . 19637 1 692 . 1 1 161 161 ASP CA C 13 52.421 0.1 . 1 . . . A 161 ASP CA . 19637 1 693 . 1 1 161 161 ASP CB C 13 41.830 0.1 . 1 . . . A 161 ASP CB . 19637 1 694 . 1 1 161 161 ASP N N 15 128.357 0.1 . 1 . . . A 161 ASP N . 19637 1 695 . 1 1 162 162 THR H H 1 8.788 0.01 . 1 . . . A 162 THR H . 19637 1 696 . 1 1 162 162 THR CA C 13 57.259 0.1 . 1 . . . A 162 THR CA . 19637 1 697 . 1 1 162 162 THR CB C 13 68.167 0.1 . 1 . . . A 162 THR CB . 19637 1 698 . 1 1 162 162 THR N N 15 117.472 0.1 . 1 . . . A 162 THR N . 19637 1 699 . 1 1 163 163 THR H H 1 8.429 0.01 . 1 . . . A 163 THR H . 19637 1 700 . 1 1 163 163 THR CA C 13 60.629 0.1 . 1 . . . A 163 THR CA . 19637 1 701 . 1 1 163 163 THR CB C 13 68.278 0.1 . 1 . . . A 163 THR CB . 19637 1 702 . 1 1 163 163 THR N N 15 120.189 0.1 . 1 . . . A 163 THR N . 19637 1 703 . 1 1 164 164 ALA H H 1 9.428 0.01 . 1 . . . A 164 ALA H . 19637 1 704 . 1 1 164 164 ALA C C 13 174.993 0.1 . 1 . . . A 164 ALA C . 19637 1 705 . 1 1 164 164 ALA CA C 13 49.190 0.1 . 1 . . . A 164 ALA CA . 19637 1 706 . 1 1 164 164 ALA CB C 13 18.951 0.1 . 1 . . . A 164 ALA CB . 19637 1 707 . 1 1 164 164 ALA N N 15 127.991 0.1 . 1 . . . A 164 ALA N . 19637 1 708 . 1 1 165 165 ASN H H 1 9.216 0.01 . 1 . . . A 165 ASN H . 19637 1 709 . 1 1 165 165 ASN C C 13 173.047 0.1 . 1 . . . A 165 ASN C . 19637 1 710 . 1 1 165 165 ASN CA C 13 51.141 0.1 . 1 . . . A 165 ASN CA . 19637 1 711 . 1 1 165 165 ASN CB C 13 40.056 0.1 . 1 . . . A 165 ASN CB . 19637 1 712 . 1 1 165 165 ASN N N 15 122.214 0.1 . 1 . . . A 165 ASN N . 19637 1 713 . 1 1 166 166 TYR H H 1 7.816 0.01 . 1 . . . A 166 TYR H . 19637 1 714 . 1 1 166 166 TYR C C 13 172.260 0.1 . 1 . . . A 166 TYR C . 19637 1 715 . 1 1 166 166 TYR CA C 13 55.397 0.1 . 1 . . . A 166 TYR CA . 19637 1 716 . 1 1 166 166 TYR CB C 13 37.662 0.1 . 1 . . . A 166 TYR CB . 19637 1 717 . 1 1 166 166 TYR N N 15 116.330 0.1 . 1 . . . A 166 TYR N . 19637 1 718 . 1 1 167 167 LYS H H 1 9.100 0.01 . 1 . . . A 167 LYS H . 19637 1 719 . 1 1 167 167 LYS C C 13 174.760 0.1 . 1 . . . A 167 LYS C . 19637 1 720 . 1 1 167 167 LYS CA C 13 53.751 0.1 . 1 . . . A 167 LYS CA . 19637 1 721 . 1 1 167 167 LYS CB C 13 34.381 0.1 . 1 . . . A 167 LYS CB . 19637 1 722 . 1 1 167 167 LYS N N 15 117.734 0.1 . 1 . . . A 167 LYS N . 19637 1 723 . 1 1 168 168 LEU H H 1 8.372 0.01 . 1 . . . A 168 LEU H . 19637 1 724 . 1 1 168 168 LEU C C 13 177.877 0.1 . 1 . . . A 168 LEU C . 19637 1 725 . 1 1 168 168 LEU CA C 13 52.509 0.1 . 1 . . . A 168 LEU CA . 19637 1 726 . 1 1 168 168 LEU CB C 13 42.894 0.1 . 1 . . . A 168 LEU CB . 19637 1 727 . 1 1 168 168 LEU N N 15 121.623 0.1 . 1 . . . A 168 LEU N . 19637 1 728 . 1 1 169 169 GLY H H 1 9.603 0.01 . 1 . . . A 169 GLY H . 19637 1 729 . 1 1 169 169 GLY C C 13 175.602 0.1 . 1 . . . A 169 GLY C . 19637 1 730 . 1 1 169 169 GLY CA C 13 46.257 0.1 . 1 . . . A 169 GLY CA . 19637 1 731 . 1 1 169 169 GLY N N 15 119.264 0.1 . 1 . . . A 169 GLY N . 19637 1 732 . 1 1 170 170 GLY H H 1 8.381 0.01 . 1 . . . A 170 GLY H . 19637 1 733 . 1 1 170 170 GLY C C 13 172.570 0.1 . 1 . . . A 170 GLY C . 19637 1 734 . 1 1 170 170 GLY CA C 13 44.040 0.1 . 1 . . . A 170 GLY CA . 19637 1 735 . 1 1 170 170 GLY N N 15 104.659 0.1 . 1 . . . A 170 GLY N . 19637 1 736 . 1 1 171 171 ALA H H 1 7.650 0.01 . 1 . . . A 171 ALA H . 19637 1 737 . 1 1 171 171 ALA C C 13 177.569 0.1 . 1 . . . A 171 ALA C . 19637 1 738 . 1 1 171 171 ALA CA C 13 49.893 0.1 . 1 . . . A 171 ALA CA . 19637 1 739 . 1 1 171 171 ALA CB C 13 18.330 0.1 . 1 . . . A 171 ALA CB . 19637 1 740 . 1 1 171 171 ALA N N 15 123.570 0.1 . 1 . . . A 171 ALA N . 19637 1 741 . 1 1 172 172 GLN H H 1 8.840 0.01 . 1 . . . A 172 GLN H . 19637 1 742 . 1 1 172 172 GLN C C 13 174.869 0.1 . 1 . . . A 172 GLN C . 19637 1 743 . 1 1 172 172 GLN CA C 13 56.018 0.1 . 1 . . . A 172 GLN CA . 19637 1 744 . 1 1 172 172 GLN CB C 13 28.173 0.1 . 1 . . . A 172 GLN CB . 19637 1 745 . 1 1 172 172 GLN N N 15 124.057 0.1 . 1 . . . A 172 GLN N . 19637 1 746 . 1 1 173 173 GLN H H 1 9.023 0.01 . 1 . . . A 173 GLN H . 19637 1 747 . 1 1 173 173 GLN C C 13 174.953 0.1 . 1 . . . A 173 GLN C . 19637 1 748 . 1 1 173 173 GLN CA C 13 52.155 0.1 . 1 . . . A 173 GLN CA . 19637 1 749 . 1 1 173 173 GLN CB C 13 29.415 0.1 . 1 . . . A 173 GLN CB . 19637 1 750 . 1 1 173 173 GLN N N 15 124.328 0.1 . 1 . . . A 173 GLN N . 19637 1 751 . 1 1 174 174 HIS H H 1 8.227 0.01 . 1 . . . A 174 HIS H . 19637 1 752 . 1 1 174 174 HIS C C 13 173.103 0.1 . 1 . . . A 174 HIS C . 19637 1 753 . 1 1 174 174 HIS CA C 13 53.446 0.1 . 1 . . . A 174 HIS CA . 19637 1 754 . 1 1 174 174 HIS CB C 13 29.681 0.1 . 1 . . . A 174 HIS CB . 19637 1 755 . 1 1 174 174 HIS N N 15 115.629 0.1 . 1 . . . A 174 HIS N . 19637 1 756 . 1 1 175 175 ASP H H 1 8.964 0.01 . 1 . . . A 175 ASP H . 19637 1 757 . 1 1 175 175 ASP C C 13 175.013 0.1 . 1 . . . A 175 ASP C . 19637 1 758 . 1 1 175 175 ASP CA C 13 52.731 0.1 . 1 . . . A 175 ASP CA . 19637 1 759 . 1 1 175 175 ASP CB C 13 45.111 0.1 . 1 . . . A 175 ASP CB . 19637 1 760 . 1 1 175 175 ASP N N 15 120.615 0.1 . 1 . . . A 175 ASP N . 19637 1 761 . 1 1 176 176 SER H H 1 9.137 0.01 . 1 . . . A 176 SER H . 19637 1 762 . 1 1 176 176 SER C C 13 173.496 0.1 . 1 . . . A 176 SER C . 19637 1 763 . 1 1 176 176 SER CA C 13 57.697 0.1 . 1 . . . A 176 SER CA . 19637 1 764 . 1 1 176 176 SER CB C 13 62.757 0.1 . 1 . . . A 176 SER CB . 19637 1 765 . 1 1 176 176 SER N N 15 118.175 0.1 . 1 . . . A 176 SER N . 19637 1 766 . 1 1 177 177 VAL H H 1 8.492 0.01 . 1 . . . A 177 VAL H . 19637 1 767 . 1 1 177 177 VAL C C 13 173.398 0.1 . 1 . . . A 177 VAL C . 19637 1 768 . 1 1 177 177 VAL CA C 13 60.277 0.1 . 1 . . . A 177 VAL CA . 19637 1 769 . 1 1 177 177 VAL CB C 13 32.518 0.1 . 1 . . . A 177 VAL CB . 19637 1 770 . 1 1 177 177 VAL N N 15 123.737 0.1 . 1 . . . A 177 VAL N . 19637 1 771 . 1 1 178 178 ARG H H 1 8.513 0.01 . 1 . . . A 178 ARG H . 19637 1 772 . 1 1 178 178 ARG C C 13 175.097 0.1 . 1 . . . A 178 ARG C . 19637 1 773 . 1 1 178 178 ARG CA C 13 54.017 0.1 . 1 . . . A 178 ARG CA . 19637 1 774 . 1 1 178 178 ARG CB C 13 29.149 0.1 . 1 . . . A 178 ARG CB . 19637 1 775 . 1 1 178 178 ARG N N 15 127.628 0.1 . 1 . . . A 178 ARG N . 19637 1 776 . 1 1 182 182 TRP H H 1 7.491 0.01 . 1 . . . A 182 TRP H . 19637 1 777 . 1 1 182 182 TRP HE1 H 1 10.420 0.01 . 1 . . . A 182 TRP HE1 . 19637 1 778 . 1 1 182 182 TRP C C 13 176.613 0.1 . 1 . . . A 182 TRP C . 19637 1 779 . 1 1 182 182 TRP CA C 13 55.228 0.1 . 1 . . . A 182 TRP CA . 19637 1 780 . 1 1 182 182 TRP CB C 13 31.809 0.1 . 1 . . . A 182 TRP CB . 19637 1 781 . 1 1 182 182 TRP N N 15 115.616 0.1 . 1 . . . A 182 TRP N . 19637 1 782 . 1 1 182 182 TRP NE1 N 15 129.156 0.1 . 1 . . . A 182 TRP NE1 . 19637 1 783 . 1 1 183 183 VAL H H 1 9.372 0.01 . 1 . . . A 183 VAL H . 19637 1 784 . 1 1 183 183 VAL CA C 13 58.628 0.1 . 1 . . . A 183 VAL CA . 19637 1 785 . 1 1 183 183 VAL CB C 13 32.696 0.1 . 1 . . . A 183 VAL CB . 19637 1 786 . 1 1 183 183 VAL N N 15 121.618 0.1 . 1 . . . A 183 VAL N . 19637 1 787 . 1 1 185 185 MET H H 1 9.615 0.01 . 1 . . . A 185 MET H . 19637 1 788 . 1 1 185 185 MET C C 13 172.186 0.1 . 1 . . . A 185 MET C . 19637 1 789 . 1 1 185 185 MET CA C 13 53.091 0.1 . 1 . . . A 185 MET CA . 19637 1 790 . 1 1 185 185 MET CB C 13 33.405 0.1 . 1 . . . A 185 MET CB . 19637 1 791 . 1 1 185 185 MET N N 15 129.032 0.1 . 1 . . . A 185 MET N . 19637 1 792 . 1 1 186 186 PHE H H 1 7.976 0.01 . 1 . . . A 186 PHE H . 19637 1 793 . 1 1 186 186 PHE C C 13 174.816 0.1 . 1 . . . A 186 PHE C . 19637 1 794 . 1 1 186 186 PHE CA C 13 55.131 0.1 . 1 . . . A 186 PHE CA . 19637 1 795 . 1 1 186 186 PHE CB C 13 40.588 0.1 . 1 . . . A 186 PHE CB . 19637 1 796 . 1 1 186 186 PHE N N 15 124.085 0.1 . 1 . . . A 186 PHE N . 19637 1 797 . 1 1 187 187 SER H H 1 9.355 0.01 . 1 . . . A 187 SER H . 19637 1 798 . 1 1 187 187 SER C C 13 171.305 0.1 . 1 . . . A 187 SER C . 19637 1 799 . 1 1 187 187 SER CA C 13 57.348 0.1 . 1 . . . A 187 SER CA . 19637 1 800 . 1 1 187 187 SER CB C 13 66.127 0.1 . 1 . . . A 187 SER CB . 19637 1 801 . 1 1 187 187 SER N N 15 116.369 0.1 . 1 . . . A 187 SER N . 19637 1 802 . 1 1 188 188 ALA H H 1 8.300 0.01 . 1 . . . A 188 ALA H . 19637 1 803 . 1 1 188 188 ALA C C 13 175.996 0.1 . 1 . . . A 188 ALA C . 19637 1 804 . 1 1 188 188 ALA CA C 13 49.085 0.1 . 1 . . . A 188 ALA CA . 19637 1 805 . 1 1 188 188 ALA CB C 13 21.079 0.1 . 1 . . . A 188 ALA CB . 19637 1 806 . 1 1 188 188 ALA N N 15 119.248 0.1 . 1 . . . A 188 ALA N . 19637 1 807 . 1 1 189 189 GLY H H 1 9.235 0.01 . 1 . . . A 189 GLY H . 19637 1 808 . 1 1 189 189 GLY C C 13 170.650 0.1 . 1 . . . A 189 GLY C . 19637 1 809 . 1 1 189 189 GLY CA C 13 44.046 0.1 . 1 . . . A 189 GLY CA . 19637 1 810 . 1 1 189 189 GLY N N 15 104.914 0.1 . 1 . . . A 189 GLY N . 19637 1 811 . 1 1 190 190 TYR H H 1 8.865 0.01 . 1 . . . A 190 TYR H . 19637 1 812 . 1 1 190 190 TYR C C 13 173.608 0.1 . 1 . . . A 190 TYR C . 19637 1 813 . 1 1 190 190 TYR CA C 13 55.131 0.1 . 1 . . . A 190 TYR CA . 19637 1 814 . 1 1 190 190 TYR CB C 13 42.362 0.1 . 1 . . . A 190 TYR CB . 19637 1 815 . 1 1 190 190 TYR N N 15 121.149 0.1 . 1 . . . A 190 TYR N . 19637 1 816 . 1 1 191 191 ARG H H 1 7.469 0.01 . 1 . . . A 191 ARG H . 19637 1 817 . 1 1 191 191 ARG CA C 13 53.529 0.1 . 1 . . . A 191 ARG CA . 19637 1 818 . 1 1 191 191 ARG CB C 13 29.947 0.1 . 1 . . . A 191 ARG CB . 19637 1 819 . 1 1 191 191 ARG N N 15 125.697 0.1 . 1 . . . A 191 ARG N . 19637 1 820 . 1 1 192 192 PHE H H 1 7.915 0.01 . 1 . . . A 192 PHE H . 19637 1 821 . 1 1 192 192 PHE C C 13 180.696 0.1 . 1 . . . A 192 PHE C . 19637 1 822 . 1 1 192 192 PHE CA C 13 59.388 0.1 . 1 . . . A 192 PHE CA . 19637 1 823 . 1 1 192 192 PHE CB C 13 38.815 0.1 . 1 . . . A 192 PHE CB . 19637 1 824 . 1 1 192 192 PHE N N 15 126.625 0.1 . 1 . . . A 192 PHE N . 19637 1 stop_ save_