data_5456 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5456 _Entry.Title ; 1H, 13C, and 15N resonances assignment for the von Willebrand factor A3 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-07-08 _Entry.Accession_date 2002-07-08 _Entry.Last_release_date 2002-07-08 _Entry.Original_release_date 2002-07-08 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Noritaka Nishida . . . . 5456 2 Mayumi Miyazawa . . . . 5456 3 Hiromi Sumikawa . . . . 5456 4 Masayoshi Sakakura . . . . 5456 5 Nobuhisa Shimba . . . . 5456 6 Hideo Takahashi . . . . 5456 7 Hiroaki Terasawa . . . . 5456 8 Ei-ichiro Suzuki . . . . 5456 9 Ichio Shimada . . . . 5456 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5456 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 366 5456 '15N chemical shifts' 183 5456 '1H chemical shifts' 183 5456 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2002-12-23 . original BMRB . 5456 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5456 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Backbone 1H, 13C, and 15N resonance assignments of the von Willebrand factor A3 domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 24 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 357 _Citation.Page_last 358 _Citation.Year 2002 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Noritaka Nishida . . . . 5456 1 2 Mayumi Miyazawa . . . . 5456 1 3 Hiromi Sumikawa . . . . 5456 1 4 Masayoshi Sakakura . . . . 5456 1 5 Nobuhisa Shimba . . . . 5456 1 6 Hideo Takahashi . . . . 5456 1 7 Hiroaki Terasawa . . . . 5456 1 8 Ei-ichiro Suzuki . . . . 5456 1 9 Ichio Shimada . . . . 5456 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'collagen-binding protein' 5456 1 'platelet adhesion' 5456 1 'resonance assignment' 5456 1 'von Willebrand factor' 5456 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_vWF_A3_domain _Assembly.Sf_category assembly _Assembly.Sf_framecode system_vWF_A3_domain _Assembly.Entry_ID 5456 _Assembly.ID 1 _Assembly.Name 'von Willebrand factor-A3 domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5456 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'A3 domain' 1 $A3_domain . . . native . . . . . 5456 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 9 9 SG . 1 . 1 CYS 195 195 SG . . . . . . . . . . . . 5456 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'vWF-A3 domain' abbreviation 5456 1 'von Willebrand factor-A3 domain' system 5456 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'collagen binding' 5456 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_A3_domain _Entity.Sf_category entity _Entity.Sf_framecode A3_domain _Entity.Entry_ID 5456 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'von Willebrand factor-A3 domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSMDIAPDCSQPLDVILLLD GSSSFPASYFDEMKSFAKAF ISKANIGPRLTQVSVLQYGS ITTIDVPWNVVPEKAHLLSL VDVMQREGGPSQIGDALGFA VRYLTSEMHGARPGASKAVV ILVTDVSVDSVDAAADAARS NRVTVFPIGIGDRYDAAQLR ILAGPAGDSNVVKLQRIEDL PTMVTLGNSFLHKLCSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 197 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20861 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . PDB 1AO3 . 'A3 Domain Of Von Willebrand Factor' . . . . . 94.92 187 100.00 100.00 6.13e-104 . . . . 5456 1 . . PDB 1ATZ . 'Human Von Willebrand Factor A3 Domain' . . . . . 95.94 189 100.00 100.00 4.21e-105 . . . . 5456 1 . . PDB 2ADF . ; Crystal Structure And Paratope Determination Of 82d6a3, An Antithrombotic Antibody Directed Against The Von Willebrand Factor A3-Domain ; . . . . . 97.97 196 99.48 100.00 4.57e-107 . . . . 5456 1 . . DBJ BAG59985 . 'unnamed protein product [Homo sapiens]' . . . . . 83.76 1104 100.00 100.00 1.15e-92 . . . . 5456 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'vWF-A3 domain' abbreviation 5456 1 'von Willebrand factor-A3 domain' common 5456 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 5456 1 2 . SER . 5456 1 3 . MET . 5456 1 4 . ASP . 5456 1 5 . ILE . 5456 1 6 . ALA . 5456 1 7 . PRO . 5456 1 8 . ASP . 5456 1 9 . CYS . 5456 1 10 . SER . 5456 1 11 . GLN . 5456 1 12 . PRO . 5456 1 13 . LEU . 5456 1 14 . ASP . 5456 1 15 . VAL . 5456 1 16 . ILE . 5456 1 17 . LEU . 5456 1 18 . LEU . 5456 1 19 . LEU . 5456 1 20 . ASP . 5456 1 21 . GLY . 5456 1 22 . SER . 5456 1 23 . SER . 5456 1 24 . SER . 5456 1 25 . PHE . 5456 1 26 . PRO . 5456 1 27 . ALA . 5456 1 28 . SER . 5456 1 29 . TYR . 5456 1 30 . PHE . 5456 1 31 . ASP . 5456 1 32 . GLU . 5456 1 33 . MET . 5456 1 34 . LYS . 5456 1 35 . SER . 5456 1 36 . PHE . 5456 1 37 . ALA . 5456 1 38 . LYS . 5456 1 39 . ALA . 5456 1 40 . PHE . 5456 1 41 . ILE . 5456 1 42 . SER . 5456 1 43 . LYS . 5456 1 44 . ALA . 5456 1 45 . ASN . 5456 1 46 . ILE . 5456 1 47 . GLY . 5456 1 48 . PRO . 5456 1 49 . ARG . 5456 1 50 . LEU . 5456 1 51 . THR . 5456 1 52 . GLN . 5456 1 53 . VAL . 5456 1 54 . SER . 5456 1 55 . VAL . 5456 1 56 . LEU . 5456 1 57 . GLN . 5456 1 58 . TYR . 5456 1 59 . GLY . 5456 1 60 . SER . 5456 1 61 . ILE . 5456 1 62 . THR . 5456 1 63 . THR . 5456 1 64 . ILE . 5456 1 65 . ASP . 5456 1 66 . VAL . 5456 1 67 . PRO . 5456 1 68 . TRP . 5456 1 69 . ASN . 5456 1 70 . VAL . 5456 1 71 . VAL . 5456 1 72 . PRO . 5456 1 73 . GLU . 5456 1 74 . LYS . 5456 1 75 . ALA . 5456 1 76 . HIS . 5456 1 77 . LEU . 5456 1 78 . LEU . 5456 1 79 . SER . 5456 1 80 . LEU . 5456 1 81 . VAL . 5456 1 82 . ASP . 5456 1 83 . VAL . 5456 1 84 . MET . 5456 1 85 . GLN . 5456 1 86 . ARG . 5456 1 87 . GLU . 5456 1 88 . GLY . 5456 1 89 . GLY . 5456 1 90 . PRO . 5456 1 91 . SER . 5456 1 92 . GLN . 5456 1 93 . ILE . 5456 1 94 . GLY . 5456 1 95 . ASP . 5456 1 96 . ALA . 5456 1 97 . LEU . 5456 1 98 . GLY . 5456 1 99 . PHE . 5456 1 100 . ALA . 5456 1 101 . VAL . 5456 1 102 . ARG . 5456 1 103 . TYR . 5456 1 104 . LEU . 5456 1 105 . THR . 5456 1 106 . SER . 5456 1 107 . GLU . 5456 1 108 . MET . 5456 1 109 . HIS . 5456 1 110 . GLY . 5456 1 111 . ALA . 5456 1 112 . ARG . 5456 1 113 . PRO . 5456 1 114 . GLY . 5456 1 115 . ALA . 5456 1 116 . SER . 5456 1 117 . LYS . 5456 1 118 . ALA . 5456 1 119 . VAL . 5456 1 120 . VAL . 5456 1 121 . ILE . 5456 1 122 . LEU . 5456 1 123 . VAL . 5456 1 124 . THR . 5456 1 125 . ASP . 5456 1 126 . VAL . 5456 1 127 . SER . 5456 1 128 . VAL . 5456 1 129 . ASP . 5456 1 130 . SER . 5456 1 131 . VAL . 5456 1 132 . ASP . 5456 1 133 . ALA . 5456 1 134 . ALA . 5456 1 135 . ALA . 5456 1 136 . ASP . 5456 1 137 . ALA . 5456 1 138 . ALA . 5456 1 139 . ARG . 5456 1 140 . SER . 5456 1 141 . ASN . 5456 1 142 . ARG . 5456 1 143 . VAL . 5456 1 144 . THR . 5456 1 145 . VAL . 5456 1 146 . PHE . 5456 1 147 . PRO . 5456 1 148 . ILE . 5456 1 149 . GLY . 5456 1 150 . ILE . 5456 1 151 . GLY . 5456 1 152 . ASP . 5456 1 153 . ARG . 5456 1 154 . TYR . 5456 1 155 . ASP . 5456 1 156 . ALA . 5456 1 157 . ALA . 5456 1 158 . GLN . 5456 1 159 . LEU . 5456 1 160 . ARG . 5456 1 161 . ILE . 5456 1 162 . LEU . 5456 1 163 . ALA . 5456 1 164 . GLY . 5456 1 165 . PRO . 5456 1 166 . ALA . 5456 1 167 . GLY . 5456 1 168 . ASP . 5456 1 169 . SER . 5456 1 170 . ASN . 5456 1 171 . VAL . 5456 1 172 . VAL . 5456 1 173 . LYS . 5456 1 174 . LEU . 5456 1 175 . GLN . 5456 1 176 . ARG . 5456 1 177 . ILE . 5456 1 178 . GLU . 5456 1 179 . ASP . 5456 1 180 . LEU . 5456 1 181 . PRO . 5456 1 182 . THR . 5456 1 183 . MET . 5456 1 184 . VAL . 5456 1 185 . THR . 5456 1 186 . LEU . 5456 1 187 . GLY . 5456 1 188 . ASN . 5456 1 189 . SER . 5456 1 190 . PHE . 5456 1 191 . LEU . 5456 1 192 . HIS . 5456 1 193 . LYS . 5456 1 194 . LEU . 5456 1 195 . CYS . 5456 1 196 . SER . 5456 1 197 . GLY . 5456 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 5456 1 . SER 2 2 5456 1 . MET 3 3 5456 1 . ASP 4 4 5456 1 . ILE 5 5 5456 1 . ALA 6 6 5456 1 . PRO 7 7 5456 1 . ASP 8 8 5456 1 . CYS 9 9 5456 1 . SER 10 10 5456 1 . GLN 11 11 5456 1 . PRO 12 12 5456 1 . LEU 13 13 5456 1 . ASP 14 14 5456 1 . VAL 15 15 5456 1 . ILE 16 16 5456 1 . LEU 17 17 5456 1 . LEU 18 18 5456 1 . LEU 19 19 5456 1 . ASP 20 20 5456 1 . GLY 21 21 5456 1 . SER 22 22 5456 1 . SER 23 23 5456 1 . SER 24 24 5456 1 . PHE 25 25 5456 1 . PRO 26 26 5456 1 . ALA 27 27 5456 1 . SER 28 28 5456 1 . TYR 29 29 5456 1 . PHE 30 30 5456 1 . ASP 31 31 5456 1 . GLU 32 32 5456 1 . MET 33 33 5456 1 . LYS 34 34 5456 1 . SER 35 35 5456 1 . PHE 36 36 5456 1 . ALA 37 37 5456 1 . LYS 38 38 5456 1 . ALA 39 39 5456 1 . PHE 40 40 5456 1 . ILE 41 41 5456 1 . SER 42 42 5456 1 . LYS 43 43 5456 1 . ALA 44 44 5456 1 . ASN 45 45 5456 1 . ILE 46 46 5456 1 . GLY 47 47 5456 1 . PRO 48 48 5456 1 . ARG 49 49 5456 1 . LEU 50 50 5456 1 . THR 51 51 5456 1 . GLN 52 52 5456 1 . VAL 53 53 5456 1 . SER 54 54 5456 1 . VAL 55 55 5456 1 . LEU 56 56 5456 1 . GLN 57 57 5456 1 . TYR 58 58 5456 1 . GLY 59 59 5456 1 . SER 60 60 5456 1 . ILE 61 61 5456 1 . THR 62 62 5456 1 . THR 63 63 5456 1 . ILE 64 64 5456 1 . ASP 65 65 5456 1 . VAL 66 66 5456 1 . PRO 67 67 5456 1 . TRP 68 68 5456 1 . ASN 69 69 5456 1 . VAL 70 70 5456 1 . VAL 71 71 5456 1 . PRO 72 72 5456 1 . GLU 73 73 5456 1 . LYS 74 74 5456 1 . ALA 75 75 5456 1 . HIS 76 76 5456 1 . LEU 77 77 5456 1 . LEU 78 78 5456 1 . SER 79 79 5456 1 . LEU 80 80 5456 1 . VAL 81 81 5456 1 . ASP 82 82 5456 1 . VAL 83 83 5456 1 . MET 84 84 5456 1 . GLN 85 85 5456 1 . ARG 86 86 5456 1 . GLU 87 87 5456 1 . GLY 88 88 5456 1 . GLY 89 89 5456 1 . PRO 90 90 5456 1 . SER 91 91 5456 1 . GLN 92 92 5456 1 . ILE 93 93 5456 1 . GLY 94 94 5456 1 . ASP 95 95 5456 1 . ALA 96 96 5456 1 . LEU 97 97 5456 1 . GLY 98 98 5456 1 . PHE 99 99 5456 1 . ALA 100 100 5456 1 . VAL 101 101 5456 1 . ARG 102 102 5456 1 . TYR 103 103 5456 1 . LEU 104 104 5456 1 . THR 105 105 5456 1 . SER 106 106 5456 1 . GLU 107 107 5456 1 . MET 108 108 5456 1 . HIS 109 109 5456 1 . GLY 110 110 5456 1 . ALA 111 111 5456 1 . ARG 112 112 5456 1 . PRO 113 113 5456 1 . GLY 114 114 5456 1 . ALA 115 115 5456 1 . SER 116 116 5456 1 . LYS 117 117 5456 1 . ALA 118 118 5456 1 . VAL 119 119 5456 1 . VAL 120 120 5456 1 . ILE 121 121 5456 1 . LEU 122 122 5456 1 . VAL 123 123 5456 1 . THR 124 124 5456 1 . ASP 125 125 5456 1 . VAL 126 126 5456 1 . SER 127 127 5456 1 . VAL 128 128 5456 1 . ASP 129 129 5456 1 . SER 130 130 5456 1 . VAL 131 131 5456 1 . ASP 132 132 5456 1 . ALA 133 133 5456 1 . ALA 134 134 5456 1 . ALA 135 135 5456 1 . ASP 136 136 5456 1 . ALA 137 137 5456 1 . ALA 138 138 5456 1 . ARG 139 139 5456 1 . SER 140 140 5456 1 . ASN 141 141 5456 1 . ARG 142 142 5456 1 . VAL 143 143 5456 1 . THR 144 144 5456 1 . VAL 145 145 5456 1 . PHE 146 146 5456 1 . PRO 147 147 5456 1 . ILE 148 148 5456 1 . GLY 149 149 5456 1 . ILE 150 150 5456 1 . GLY 151 151 5456 1 . ASP 152 152 5456 1 . ARG 153 153 5456 1 . TYR 154 154 5456 1 . ASP 155 155 5456 1 . ALA 156 156 5456 1 . ALA 157 157 5456 1 . GLN 158 158 5456 1 . LEU 159 159 5456 1 . ARG 160 160 5456 1 . ILE 161 161 5456 1 . LEU 162 162 5456 1 . ALA 163 163 5456 1 . GLY 164 164 5456 1 . PRO 165 165 5456 1 . ALA 166 166 5456 1 . GLY 167 167 5456 1 . ASP 168 168 5456 1 . SER 169 169 5456 1 . ASN 170 170 5456 1 . VAL 171 171 5456 1 . VAL 172 172 5456 1 . LYS 173 173 5456 1 . LEU 174 174 5456 1 . GLN 175 175 5456 1 . ARG 176 176 5456 1 . ILE 177 177 5456 1 . GLU 178 178 5456 1 . ASP 179 179 5456 1 . LEU 180 180 5456 1 . PRO 181 181 5456 1 . THR 182 182 5456 1 . MET 183 183 5456 1 . VAL 184 184 5456 1 . THR 185 185 5456 1 . LEU 186 186 5456 1 . GLY 187 187 5456 1 . ASN 188 188 5456 1 . SER 189 189 5456 1 . PHE 190 190 5456 1 . LEU 191 191 5456 1 . HIS 192 192 5456 1 . LYS 193 193 5456 1 . LEU 194 194 5456 1 . CYS 195 195 5456 1 . SER 196 196 5456 1 . GLY 197 197 5456 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 5456 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $A3_domain . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 5456 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 5456 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $A3_domain . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . 5456 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5456 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'von Willebrand factor-A3 domain' '[U-98% 13C; U-98% 15N]' . . 1 $A3_domain . . . 0.5 0.8 mM . . . . 5456 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5456 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'von Willebrand factor-A3 domain' '[U-98% 2H; U-98% 13C; U-98% 15N]' . . 1 $A3_domain . . 0.8 . . mM . . . . 5456 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex_cond_1 _Sample_condition_list.Entry_ID 5456 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.1 n/a 5456 1 temperature 310 0.1 K 5456 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5456 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5456 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DRX . 600 . . . 5456 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 5456 _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 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5456 1 2 '3D HNCA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5456 1 3 '3D HN(CO)CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5456 1 4 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5456 1 5 '3D HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5456 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5456 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . 5456 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 5456 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 5456 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5456 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H-15N HSQC' 1 $sample_1 . 5456 1 2 '3D HNCA' 1 $sample_1 . 5456 1 3 '3D HN(CO)CA' 1 $sample_1 . 5456 1 4 '3D CBCA(CO)NH' 1 $sample_1 . 5456 1 5 '3D HNCACB' 1 $sample_1 . 5456 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER CA C 13 58.8 0.1 . 1 . . . . . . . . . 5456 1 2 . 1 1 2 2 SER CB C 13 63.4 0.1 . 1 . . . . . . . . . 5456 1 3 . 1 1 3 3 MET H H 1 8.50 0.02 . 1 . . . . . . . . . 5456 1 4 . 1 1 3 3 MET CA C 13 55.2 0.1 . 1 . . . . . . . . . 5456 1 5 . 1 1 3 3 MET CB C 13 32.0 0.1 . 1 . . . . . . . . . 5456 1 6 . 1 1 3 3 MET N N 15 121.34 0.05 . 1 . . . . . . . . . 5456 1 7 . 1 1 4 4 ASP H H 1 8.14 0.02 . 1 . . . . . . . . . 5456 1 8 . 1 1 4 4 ASP CA C 13 54.3 0.1 . 1 . . . . . . . . . 5456 1 9 . 1 1 4 4 ASP CB C 13 40.8 0.1 . 1 . . . . . . . . . 5456 1 10 . 1 1 4 4 ASP N N 15 121.41 0.05 . 1 . . . . . . . . . 5456 1 11 . 1 1 5 5 ILE H H 1 7.91 0.02 . 1 . . . . . . . . . 5456 1 12 . 1 1 5 5 ILE CA C 13 60.5 0.1 . 1 . . . . . . . . . 5456 1 13 . 1 1 5 5 ILE CB C 13 38.4 0.1 . 1 . . . . . . . . . 5456 1 14 . 1 1 5 5 ILE N N 15 120.08 0.05 . 1 . . . . . . . . . 5456 1 15 . 1 1 6 6 ALA H H 1 8.21 0.02 . 1 . . . . . . . . . 5456 1 16 . 1 1 6 6 ALA CA C 13 50.1 0.1 . 1 . . . . . . . . . 5456 1 17 . 1 1 6 6 ALA CB C 13 17.9 0.1 . 1 . . . . . . . . . 5456 1 18 . 1 1 6 6 ALA N N 15 128.63 0.05 . 1 . . . . . . . . . 5456 1 19 . 1 1 7 7 PRO CA C 13 62.8 0.1 . 1 . . . . . . . . . 5456 1 20 . 1 1 7 7 PRO CB C 13 31.4 0.1 . 1 . . . . . . . . . 5456 1 21 . 1 1 8 8 ASP H H 1 8.31 0.02 . 1 . . . . . . . . . 5456 1 22 . 1 1 8 8 ASP CA C 13 53.9 0.1 . 1 . . . . . . . . . 5456 1 23 . 1 1 8 8 ASP CB C 13 40.8 0.1 . 1 . . . . . . . . . 5456 1 24 . 1 1 8 8 ASP N N 15 120.3 0.05 . 1 . . . . . . . . . 5456 1 25 . 1 1 9 9 CYS H H 1 8.58 0.02 . 1 . . . . . . . . . 5456 1 26 . 1 1 9 9 CYS CA C 13 55.5 0.1 . 1 . . . . . . . . . 5456 1 27 . 1 1 9 9 CYS CB C 13 40.2 0.1 . 1 . . . . . . . . . 5456 1 28 . 1 1 9 9 CYS N N 15 119.77 0.05 . 1 . . . . . . . . . 5456 1 29 . 1 1 10 10 SER H H 1 8.73 0.02 . 1 . . . . . . . . . 5456 1 30 . 1 1 10 10 SER CA C 13 58.9 0.1 . 1 . . . . . . . . . 5456 1 31 . 1 1 10 10 SER CB C 13 63.6 0.1 . 1 . . . . . . . . . 5456 1 32 . 1 1 10 10 SER N N 15 119.26 0.05 . 1 . . . . . . . . . 5456 1 33 . 1 1 11 11 GLN H H 1 7.79 0.02 . 1 . . . . . . . . . 5456 1 34 . 1 1 11 11 GLN CA C 13 52.8 0.1 . 1 . . . . . . . . . 5456 1 35 . 1 1 11 11 GLN CB C 13 29.7 0.1 . 1 . . . . . . . . . 5456 1 36 . 1 1 11 11 GLN N N 15 121.63 0.05 . 1 . . . . . . . . . 5456 1 37 . 1 1 12 12 PRO CA C 13 63.4 0.1 . 1 . . . . . . . . . 5456 1 38 . 1 1 12 12 PRO CB C 13 31.2 0.1 . 1 . . . . . . . . . 5456 1 39 . 1 1 13 13 LEU H H 1 7.30 0.02 . 1 . . . . . . . . . 5456 1 40 . 1 1 13 13 LEU CA C 13 54.3 0.1 . 1 . . . . . . . . . 5456 1 41 . 1 1 13 13 LEU CB C 13 44.4 0.1 . 1 . . . . . . . . . 5456 1 42 . 1 1 13 13 LEU N N 15 128.27 0.05 . 1 . . . . . . . . . 5456 1 43 . 1 1 14 14 ASP H H 1 9.36 0.02 . 1 . . . . . . . . . 5456 1 44 . 1 1 14 14 ASP CA C 13 53.4 0.1 . 1 . . . . . . . . . 5456 1 45 . 1 1 14 14 ASP CB C 13 41.7 0.1 . 1 . . . . . . . . . 5456 1 46 . 1 1 14 14 ASP N N 15 130.51 0.05 . 1 . . . . . . . . . 5456 1 47 . 1 1 15 15 VAL H H 1 9.22 0.02 . 1 . . . . . . . . . 5456 1 48 . 1 1 15 15 VAL CA C 13 58.6 0.1 . 1 . . . . . . . . . 5456 1 49 . 1 1 15 15 VAL CB C 13 34.7 0.1 . 1 . . . . . . . . . 5456 1 50 . 1 1 15 15 VAL N N 15 120.73 0.05 . 1 . . . . . . . . . 5456 1 51 . 1 1 16 16 ILE H H 1 8.54 0.02 . 1 . . . . . . . . . 5456 1 52 . 1 1 16 16 ILE CA C 13 59.3 0.1 . 1 . . . . . . . . . 5456 1 53 . 1 1 16 16 ILE CB C 13 41.4 0.1 . 1 . . . . . . . . . 5456 1 54 . 1 1 16 16 ILE N N 15 124.74 0.05 . 1 . . . . . . . . . 5456 1 55 . 1 1 17 17 LEU H H 1 8.78 0.02 . 1 . . . . . . . . . 5456 1 56 . 1 1 17 17 LEU CA C 13 53.3 0.1 . 1 . . . . . . . . . 5456 1 57 . 1 1 17 17 LEU CB C 13 41.7 0.1 . 1 . . . . . . . . . 5456 1 58 . 1 1 17 17 LEU N N 15 126.77 0.05 . 1 . . . . . . . . . 5456 1 59 . 1 1 18 18 LEU H H 1 9.46 0.02 . 1 . . . . . . . . . 5456 1 60 . 1 1 18 18 LEU CA C 13 53.0 0.1 . 1 . . . . . . . . . 5456 1 61 . 1 1 18 18 LEU CB C 13 42.7 0.1 . 1 . . . . . . . . . 5456 1 62 . 1 1 18 18 LEU N N 15 128.66 0.05 . 1 . . . . . . . . . 5456 1 63 . 1 1 19 19 LEU H H 1 9.10 0.02 . 1 . . . . . . . . . 5456 1 64 . 1 1 19 19 LEU CA C 13 55.1 0.1 . 1 . . . . . . . . . 5456 1 65 . 1 1 19 19 LEU CB C 13 41.2 0.1 . 1 . . . . . . . . . 5456 1 66 . 1 1 19 19 LEU N N 15 124.74 0.05 . 1 . . . . . . . . . 5456 1 67 . 1 1 20 20 ASP H H 1 5.89 0.02 . 1 . . . . . . . . . 5456 1 68 . 1 1 20 20 ASP CA C 13 53.7 0.1 . 1 . . . . . . . . . 5456 1 69 . 1 1 20 20 ASP CB C 13 40.8 0.1 . 1 . . . . . . . . . 5456 1 70 . 1 1 20 20 ASP N N 15 119.92 0.05 . 1 . . . . . . . . . 5456 1 71 . 1 1 21 21 GLY H H 1 7.79 0.02 . 1 . . . . . . . . . 5456 1 72 . 1 1 21 21 GLY CA C 13 45.2 0.1 . 1 . . . . . . . . . 5456 1 73 . 1 1 21 21 GLY N N 15 116.31 0.05 . 1 . . . . . . . . . 5456 1 74 . 1 1 22 22 SER H H 1 8.52 0.02 . 1 . . . . . . . . . 5456 1 75 . 1 1 22 22 SER CA C 13 59.2 0.1 . 1 . . . . . . . . . 5456 1 76 . 1 1 22 22 SER CB C 13 64.5 0.1 . 1 . . . . . . . . . 5456 1 77 . 1 1 22 22 SER N N 15 116.0 0.05 . 1 . . . . . . . . . 5456 1 78 . 1 1 23 23 SER H H 1 8.90 0.02 . 1 . . . . . . . . . 5456 1 79 . 1 1 23 23 SER CA C 13 59.3 0.1 . 1 . . . . . . . . . 5456 1 80 . 1 1 23 23 SER CB C 13 63.2 0.1 . 1 . . . . . . . . . 5456 1 81 . 1 1 23 23 SER N N 15 119.92 0.05 . 1 . . . . . . . . . 5456 1 82 . 1 1 24 24 SER H H 1 7.71 0.02 . 1 . . . . . . . . . 5456 1 83 . 1 1 24 24 SER CA C 13 61.2 0.1 . 1 . . . . . . . . . 5456 1 84 . 1 1 24 24 SER CB C 13 62.6 0.1 . 1 . . . . . . . . . 5456 1 85 . 1 1 24 24 SER N N 15 115.5 0.05 . 1 . . . . . . . . . 5456 1 86 . 1 1 25 25 PHE H H 1 7.20 0.02 . 1 . . . . . . . . . 5456 1 87 . 1 1 25 25 PHE CA C 13 55.4 0.1 . 1 . . . . . . . . . 5456 1 88 . 1 1 25 25 PHE CB C 13 37.6 0.1 . 1 . . . . . . . . . 5456 1 89 . 1 1 25 25 PHE N N 15 118.11 0.05 . 1 . . . . . . . . . 5456 1 90 . 1 1 26 26 PRO CA C 13 63.0 0.1 . 1 . . . . . . . . . 5456 1 91 . 1 1 26 26 PRO CB C 13 31.9 0.1 . 1 . . . . . . . . . 5456 1 92 . 1 1 27 27 ALA H H 1 8.75 0.02 . 1 . . . . . . . . . 5456 1 93 . 1 1 27 27 ALA CA C 13 55.5 0.1 . 1 . . . . . . . . . 5456 1 94 . 1 1 27 27 ALA CB C 13 17.7 0.1 . 1 . . . . . . . . . 5456 1 95 . 1 1 27 27 ALA N N 15 125.35 0.05 . 1 . . . . . . . . . 5456 1 96 . 1 1 28 28 SER H H 1 8.38 0.02 . 1 . . . . . . . . . 5456 1 97 . 1 1 28 28 SER CA C 13 60.9 0.1 . 1 . . . . . . . . . 5456 1 98 . 1 1 28 28 SER CB C 13 62.1 0.1 . 1 . . . . . . . . . 5456 1 99 . 1 1 28 28 SER N N 15 113.77 0.05 . 1 . . . . . . . . . 5456 1 100 . 1 1 29 29 TYR H H 1 8.84 0.02 . 1 . . . . . . . . . 5456 1 101 . 1 1 29 29 TYR CA C 13 60.0 0.1 . 1 . . . . . . . . . 5456 1 102 . 1 1 29 29 TYR CB C 13 36.8 0.1 . 1 . . . . . . . . . 5456 1 103 . 1 1 29 29 TYR N N 15 124.01 0.05 . 1 . . . . . . . . . 5456 1 104 . 1 1 30 30 PHE H H 1 8.01 0.02 . 1 . . . . . . . . . 5456 1 105 . 1 1 30 30 PHE CA C 13 61.5 0.1 . 1 . . . . . . . . . 5456 1 106 . 1 1 30 30 PHE CB C 13 38.8 0.1 . 1 . . . . . . . . . 5456 1 107 . 1 1 30 30 PHE N N 15 121.63 0.05 . 1 . . . . . . . . . 5456 1 108 . 1 1 31 31 ASP H H 1 7.70 0.02 . 1 . . . . . . . . . 5456 1 109 . 1 1 31 31 ASP CA C 13 58.0 0.1 . 1 . . . . . . . . . 5456 1 110 . 1 1 31 31 ASP CB C 13 39.7 0.1 . 1 . . . . . . . . . 5456 1 111 . 1 1 31 31 ASP N N 15 118.44 0.05 . 1 . . . . . . . . . 5456 1 112 . 1 1 32 32 GLU H H 1 7.38 0.02 . 1 . . . . . . . . . 5456 1 113 . 1 1 32 32 GLU CA C 13 58.0 0.1 . 1 . . . . . . . . . 5456 1 114 . 1 1 32 32 GLU CB C 13 28.6 0.1 . 1 . . . . . . . . . 5456 1 115 . 1 1 32 32 GLU N N 15 119.16 0.05 . 1 . . . . . . . . . 5456 1 116 . 1 1 33 33 MET H H 1 7.79 0.02 . 1 . . . . . . . . . 5456 1 117 . 1 1 33 33 MET CA C 13 59.9 0.1 . 1 . . . . . . . . . 5456 1 118 . 1 1 33 33 MET CB C 13 31.1 0.1 . 1 . . . . . . . . . 5456 1 119 . 1 1 33 33 MET N N 15 119.97 0.05 . 1 . . . . . . . . . 5456 1 120 . 1 1 34 34 LYS H H 1 8.14 0.02 . 1 . . . . . . . . . 5456 1 121 . 1 1 34 34 LYS CA C 13 60.4 0.1 . 1 . . . . . . . . . 5456 1 122 . 1 1 34 34 LYS CB C 13 31.0 0.1 . 1 . . . . . . . . . 5456 1 123 . 1 1 34 34 LYS N N 15 120.03 0.05 . 1 . . . . . . . . . 5456 1 124 . 1 1 35 35 SER H H 1 8.07 0.02 . 1 . . . . . . . . . 5456 1 125 . 1 1 35 35 SER CA C 13 62.1 0.1 . 1 . . . . . . . . . 5456 1 126 . 1 1 35 35 SER N N 15 115.59 0.05 . 1 . . . . . . . . . 5456 1 127 . 1 1 36 36 PHE H H 1 8.34 0.02 . 1 . . . . . . . . . 5456 1 128 . 1 1 36 36 PHE CA C 13 60.8 0.1 . 1 . . . . . . . . . 5456 1 129 . 1 1 36 36 PHE CB C 13 38.2 0.1 . 1 . . . . . . . . . 5456 1 130 . 1 1 36 36 PHE N N 15 123.09 0.05 . 1 . . . . . . . . . 5456 1 131 . 1 1 37 37 ALA H H 1 8.25 0.02 . 1 . . . . . . . . . 5456 1 132 . 1 1 37 37 ALA CA C 13 54.8 0.1 . 1 . . . . . . . . . 5456 1 133 . 1 1 37 37 ALA CB C 13 17.2 0.1 . 1 . . . . . . . . . 5456 1 134 . 1 1 37 37 ALA N N 15 122.89 0.05 . 1 . . . . . . . . . 5456 1 135 . 1 1 38 38 LYS H H 1 8.41 0.02 . 1 . . . . . . . . . 5456 1 136 . 1 1 38 38 LYS CA C 13 60.4 0.1 . 1 . . . . . . . . . 5456 1 137 . 1 1 38 38 LYS CB C 13 31.7 0.1 . 1 . . . . . . . . . 5456 1 138 . 1 1 38 38 LYS N N 15 115.79 0.05 . 1 . . . . . . . . . 5456 1 139 . 1 1 39 39 ALA H H 1 8.25 0.02 . 1 . . . . . . . . . 5456 1 140 . 1 1 39 39 ALA CA C 13 54.8 0.1 . 1 . . . . . . . . . 5456 1 141 . 1 1 39 39 ALA CB C 13 17.6 0.1 . 1 . . . . . . . . . 5456 1 142 . 1 1 39 39 ALA N N 15 123.37 0.05 . 1 . . . . . . . . . 5456 1 143 . 1 1 40 40 PHE H H 1 8.55 0.02 . 1 . . . . . . . . . 5456 1 144 . 1 1 40 40 PHE CA C 13 61.9 0.1 . 1 . . . . . . . . . 5456 1 145 . 1 1 40 40 PHE CB C 13 38.7 0.1 . 1 . . . . . . . . . 5456 1 146 . 1 1 40 40 PHE N N 15 118.95 0.05 . 1 . . . . . . . . . 5456 1 147 . 1 1 41 41 ILE H H 1 8.29 0.02 . 1 . . . . . . . . . 5456 1 148 . 1 1 41 41 ILE CA C 13 65.7 0.1 . 1 . . . . . . . . . 5456 1 149 . 1 1 41 41 ILE CB C 13 38.7 0.1 . 1 . . . . . . . . . 5456 1 150 . 1 1 41 41 ILE N N 15 118.60 0.05 . 1 . . . . . . . . . 5456 1 151 . 1 1 42 42 SER H H 1 8.29 0.02 . 1 . . . . . . . . . 5456 1 152 . 1 1 42 42 SER CA C 13 62.7 0.1 . 1 . . . . . . . . . 5456 1 153 . 1 1 42 42 SER CB C 13 64.2 0.1 . 1 . . . . . . . . . 5456 1 154 . 1 1 42 42 SER N N 15 112.19 0.05 . 1 . . . . . . . . . 5456 1 155 . 1 1 43 43 LYS H H 1 7.42 0.02 . 1 . . . . . . . . . 5456 1 156 . 1 1 43 43 LYS CA C 13 56.1 0.1 . 1 . . . . . . . . . 5456 1 157 . 1 1 43 43 LYS CB C 13 32.8 0.1 . 1 . . . . . . . . . 5456 1 158 . 1 1 43 43 LYS N N 15 119.90 0.05 . 1 . . . . . . . . . 5456 1 159 . 1 1 44 44 ALA H H 1 7.56 0.02 . 1 . . . . . . . . . 5456 1 160 . 1 1 44 44 ALA CA C 13 51.9 0.1 . 1 . . . . . . . . . 5456 1 161 . 1 1 44 44 ALA CB C 13 18.2 0.1 . 1 . . . . . . . . . 5456 1 162 . 1 1 44 44 ALA N N 15 122.79 0.05 . 1 . . . . . . . . . 5456 1 163 . 1 1 45 45 ASN H H 1 9.00 0.02 . 1 . . . . . . . . . 5456 1 164 . 1 1 45 45 ASN CA C 13 50.9 0.1 . 1 . . . . . . . . . 5456 1 165 . 1 1 45 45 ASN CB C 13 36.8 0.1 . 1 . . . . . . . . . 5456 1 166 . 1 1 45 45 ASN N N 15 121.68 0.05 . 1 . . . . . . . . . 5456 1 167 . 1 1 46 46 ILE H H 1 7.40 0.02 . 1 . . . . . . . . . 5456 1 168 . 1 1 46 46 ILE CA C 13 59.3 0.1 . 1 . . . . . . . . . 5456 1 169 . 1 1 46 46 ILE CB C 13 38.4 0.1 . 1 . . . . . . . . . 5456 1 170 . 1 1 46 46 ILE N N 15 121.73 0.05 . 1 . . . . . . . . . 5456 1 171 . 1 1 47 47 GLY H H 1 8.20 0.02 . 1 . . . . . . . . . 5456 1 172 . 1 1 47 47 GLY CA C 13 45.2 0.1 . 1 . . . . . . . . . 5456 1 173 . 1 1 47 47 GLY N N 15 113.82 0.05 . 1 . . . . . . . . . 5456 1 174 . 1 1 49 49 ARG H H 1 8.42 0.02 . 1 . . . . . . . . . 5456 1 175 . 1 1 49 49 ARG CA C 13 61.3 0.1 . 1 . . . . . . . . . 5456 1 176 . 1 1 49 49 ARG N N 15 116.86 0.05 . 1 . . . . . . . . . 5456 1 177 . 1 1 50 50 LEU H H 1 7.40 0.02 . 1 . . . . . . . . . 5456 1 178 . 1 1 50 50 LEU CA C 13 53.4 0.1 . 1 . . . . . . . . . 5456 1 179 . 1 1 50 50 LEU CB C 13 41.0 0.1 . 1 . . . . . . . . . 5456 1 180 . 1 1 50 50 LEU N N 15 122.29 0.05 . 1 . . . . . . . . . 5456 1 181 . 1 1 51 51 THR H H 1 9.01 0.02 . 1 . . . . . . . . . 5456 1 182 . 1 1 51 51 THR CA C 13 63.4 0.1 . 1 . . . . . . . . . 5456 1 183 . 1 1 51 51 THR CB C 13 68.5 0.1 . 1 . . . . . . . . . 5456 1 184 . 1 1 51 51 THR N N 15 126.02 0.05 . 1 . . . . . . . . . 5456 1 185 . 1 1 52 52 GLN H H 1 9.13 0.02 . 1 . . . . . . . . . 5456 1 186 . 1 1 52 52 GLN CA C 13 55.2 0.1 . 1 . . . . . . . . . 5456 1 187 . 1 1 52 52 GLN CB C 13 31.5 0.1 . 1 . . . . . . . . . 5456 1 188 . 1 1 52 52 GLN N N 15 124.68 0.05 . 1 . . . . . . . . . 5456 1 189 . 1 1 53 53 VAL H H 1 8.76 0.02 . 1 . . . . . . . . . 5456 1 190 . 1 1 53 53 VAL CA C 13 59.8 0.1 . 1 . . . . . . . . . 5456 1 191 . 1 1 53 53 VAL CB C 13 34.7 0.1 . 1 . . . . . . . . . 5456 1 192 . 1 1 53 53 VAL N N 15 122.49 0.05 . 1 . . . . . . . . . 5456 1 193 . 1 1 54 54 SER H H 1 8.56 0.02 . 1 . . . . . . . . . 5456 1 194 . 1 1 54 54 SER CA C 13 55.5 0.1 . 1 . . . . . . . . . 5456 1 195 . 1 1 54 54 SER CB C 13 64.9 0.1 . 1 . . . . . . . . . 5456 1 196 . 1 1 54 54 SER N N 15 120.15 0.05 . 1 . . . . . . . . . 5456 1 197 . 1 1 55 55 VAL H H 1 8.49 0.02 . 1 . . . . . . . . . 5456 1 198 . 1 1 55 55 VAL CA C 13 61.4 0.1 . 1 . . . . . . . . . 5456 1 199 . 1 1 55 55 VAL CB C 13 32.7 0.1 . 1 . . . . . . . . . 5456 1 200 . 1 1 55 55 VAL N N 15 121.11 0.05 . 1 . . . . . . . . . 5456 1 201 . 1 1 56 56 LEU H H 1 9.22 0.02 . 1 . . . . . . . . . 5456 1 202 . 1 1 56 56 LEU CA C 13 53.3 0.1 . 1 . . . . . . . . . 5456 1 203 . 1 1 56 56 LEU CB C 13 45.5 0.1 . 1 . . . . . . . . . 5456 1 204 . 1 1 56 56 LEU N N 15 132.79 0.05 . 1 . . . . . . . . . 5456 1 205 . 1 1 57 57 GLN H H 1 8.47 0.02 . 1 . . . . . . . . . 5456 1 206 . 1 1 57 57 GLN CA C 13 54.3 0.1 . 1 . . . . . . . . . 5456 1 207 . 1 1 57 57 GLN CB C 13 32.5 0.1 . 1 . . . . . . . . . 5456 1 208 . 1 1 57 57 GLN N N 15 114.47 0.05 . 1 . . . . . . . . . 5456 1 209 . 1 1 58 58 TYR H H 1 7.99 0.02 . 1 . . . . . . . . . 5456 1 210 . 1 1 58 58 TYR CA C 13 54.4 0.1 . 1 . . . . . . . . . 5456 1 211 . 1 1 58 58 TYR CB C 13 42.5 0.1 . 1 . . . . . . . . . 5456 1 212 . 1 1 58 58 TYR N N 15 116.15 0.05 . 1 . . . . . . . . . 5456 1 213 . 1 1 59 59 GLY H H 1 6.97 0.02 . 1 . . . . . . . . . 5456 1 214 . 1 1 59 59 GLY CA C 13 45.5 0.1 . 1 . . . . . . . . . 5456 1 215 . 1 1 59 59 GLY N N 15 106.04 0.05 . 1 . . . . . . . . . 5456 1 216 . 1 1 60 60 SER H H 1 8.96 0.02 . 1 . . . . . . . . . 5456 1 217 . 1 1 60 60 SER CA C 13 63.0 0.1 . 1 . . . . . . . . . 5456 1 218 . 1 1 60 60 SER CB C 13 62.3 0.1 . 1 . . . . . . . . . 5456 1 219 . 1 1 60 60 SER N N 15 124.87 0.05 . 1 . . . . . . . . . 5456 1 220 . 1 1 61 61 ILE H H 1 7.65 0.02 . 1 . . . . . . . . . 5456 1 221 . 1 1 61 61 ILE CA C 13 59.3 0.1 . 1 . . . . . . . . . 5456 1 222 . 1 1 61 61 ILE CB C 13 41.6 0.1 . 1 . . . . . . . . . 5456 1 223 . 1 1 61 61 ILE N N 15 112.58 0.05 . 1 . . . . . . . . . 5456 1 224 . 1 1 62 62 THR H H 1 8.25 0.02 . 1 . . . . . . . . . 5456 1 225 . 1 1 62 62 THR CA C 13 62.8 0.1 . 1 . . . . . . . . . 5456 1 226 . 1 1 62 62 THR CB C 13 67.4 0.1 . 1 . . . . . . . . . 5456 1 227 . 1 1 62 62 THR N N 15 122.89 0.05 . 1 . . . . . . . . . 5456 1 228 . 1 1 63 63 THR H H 1 8.66 0.02 . 1 . . . . . . . . . 5456 1 229 . 1 1 63 63 THR CA C 13 59.8 0.1 . 1 . . . . . . . . . 5456 1 230 . 1 1 63 63 THR CB C 13 70.6 0.1 . 1 . . . . . . . . . 5456 1 231 . 1 1 63 63 THR N N 15 119.05 0.05 . 1 . . . . . . . . . 5456 1 232 . 1 1 64 64 ILE H H 1 8.30 0.02 . 1 . . . . . . . . . 5456 1 233 . 1 1 64 64 ILE CA C 13 60.5 0.1 . 1 . . . . . . . . . 5456 1 234 . 1 1 64 64 ILE CB C 13 37.6 0.1 . 1 . . . . . . . . . 5456 1 235 . 1 1 64 64 ILE N N 15 122.30 0.05 . 1 . . . . . . . . . 5456 1 236 . 1 1 65 65 ASP H H 1 8.08 0.02 . 1 . . . . . . . . . 5456 1 237 . 1 1 65 65 ASP CA C 13 56.4 0.1 . 1 . . . . . . . . . 5456 1 238 . 1 1 65 65 ASP CB C 13 42.6 0.1 . 1 . . . . . . . . . 5456 1 239 . 1 1 65 65 ASP N N 15 129.36 0.05 . 1 . . . . . . . . . 5456 1 240 . 1 1 66 66 VAL H H 1 8.37 0.02 . 1 . . . . . . . . . 5456 1 241 . 1 1 66 66 VAL CA C 13 59.5 0.1 . 1 . . . . . . . . . 5456 1 242 . 1 1 66 66 VAL CB C 13 33.2 0.1 . 1 . . . . . . . . . 5456 1 243 . 1 1 66 66 VAL N N 15 119.78 0.05 . 1 . . . . . . . . . 5456 1 244 . 1 1 67 67 PRO CA C 13 62.1 0.1 . 1 . . . . . . . . . 5456 1 245 . 1 1 67 67 PRO CB C 13 33.4 0.1 . 1 . . . . . . . . . 5456 1 246 . 1 1 68 68 TRP H H 1 7.62 0.02 . 1 . . . . . . . . . 5456 1 247 . 1 1 68 68 TRP CA C 13 57.1 0.1 . 1 . . . . . . . . . 5456 1 248 . 1 1 68 68 TRP CB C 13 30.7 0.1 . 1 . . . . . . . . . 5456 1 249 . 1 1 68 68 TRP N N 15 114.27 0.05 . 1 . . . . . . . . . 5456 1 250 . 1 1 69 69 ASN H H 1 8.58 0.02 . 1 . . . . . . . . . 5456 1 251 . 1 1 69 69 ASN N N 15 114.67 0.05 . 1 . . . . . . . . . 5456 1 252 . 1 1 70 70 VAL H H 1 7.63 0.02 . 1 . . . . . . . . . 5456 1 253 . 1 1 70 70 VAL CA C 13 61.6 0.1 . 1 . . . . . . . . . 5456 1 254 . 1 1 70 70 VAL CB C 13 32.5 0.1 . 1 . . . . . . . . . 5456 1 255 . 1 1 70 70 VAL N N 15 117.92 0.05 . 1 . . . . . . . . . 5456 1 256 . 1 1 71 71 VAL H H 1 7.97 0.02 . 1 . . . . . . . . . 5456 1 257 . 1 1 71 71 VAL CA C 13 60.2 0.1 . 1 . . . . . . . . . 5456 1 258 . 1 1 71 71 VAL CB C 13 31.7 0.1 . 1 . . . . . . . . . 5456 1 259 . 1 1 71 71 VAL N N 15 122.91 0.05 . 1 . . . . . . . . . 5456 1 260 . 1 1 72 72 PRO CA C 13 62.5 0.1 . 1 . . . . . . . . . 5456 1 261 . 1 1 72 72 PRO CB C 13 28.9 0.1 . 1 . . . . . . . . . 5456 1 262 . 1 1 73 73 GLU H H 1 8.22 0.02 . 1 . . . . . . . . . 5456 1 263 . 1 1 73 73 GLU CA C 13 54.6 0.1 . 1 . . . . . . . . . 5456 1 264 . 1 1 73 73 GLU CB C 13 31.2 0.1 . 1 . . . . . . . . . 5456 1 265 . 1 1 73 73 GLU N N 15 123.68 0.05 . 1 . . . . . . . . . 5456 1 266 . 1 1 74 74 LYS H H 1 9.08 0.02 . 1 . . . . . . . . . 5456 1 267 . 1 1 74 74 LYS CA C 13 61.7 0.1 . 1 . . . . . . . . . 5456 1 268 . 1 1 74 74 LYS CB C 13 31.7 0.1 . 1 . . . . . . . . . 5456 1 269 . 1 1 74 74 LYS N N 15 126.85 0.05 . 1 . . . . . . . . . 5456 1 270 . 1 1 75 75 ALA H H 1 8.94 0.02 . 1 . . . . . . . . . 5456 1 271 . 1 1 75 75 ALA CA C 13 55.6 0.1 . 1 . . . . . . . . . 5456 1 272 . 1 1 75 75 ALA CB C 13 17.5 0.1 . 1 . . . . . . . . . 5456 1 273 . 1 1 75 75 ALA N N 15 119.04 0.05 . 1 . . . . . . . . . 5456 1 274 . 1 1 76 76 HIS H H 1 7.59 0.02 . 1 . . . . . . . . . 5456 1 275 . 1 1 76 76 HIS CA C 13 58.4 0.1 . 1 . . . . . . . . . 5456 1 276 . 1 1 76 76 HIS CB C 13 29.7 0.1 . 1 . . . . . . . . . 5456 1 277 . 1 1 76 76 HIS N N 15 116.62 0.05 . 1 . . . . . . . . . 5456 1 278 . 1 1 77 77 LEU H H 1 7.91 0.02 . 1 . . . . . . . . . 5456 1 279 . 1 1 77 77 LEU CA C 13 58.7 0.1 . 1 . . . . . . . . . 5456 1 280 . 1 1 77 77 LEU CB C 13 42.0 0.1 . 1 . . . . . . . . . 5456 1 281 . 1 1 77 77 LEU N N 15 119.6 0.05 . 1 . . . . . . . . . 5456 1 282 . 1 1 78 78 LEU H H 1 8.46 0.02 . 1 . . . . . . . . . 5456 1 283 . 1 1 78 78 LEU CA C 13 58.8 0.1 . 1 . . . . . . . . . 5456 1 284 . 1 1 78 78 LEU CB C 13 40.1 0.1 . 1 . . . . . . . . . 5456 1 285 . 1 1 78 78 LEU N N 15 117.2 0.05 . 1 . . . . . . . . . 5456 1 286 . 1 1 79 79 SER H H 1 7.55 0.02 . 1 . . . . . . . . . 5456 1 287 . 1 1 79 79 SER CA C 13 61.5 0.1 . 1 . . . . . . . . . 5456 1 288 . 1 1 79 79 SER CB C 13 62.7 0.1 . 1 . . . . . . . . . 5456 1 289 . 1 1 79 79 SER N N 15 114.42 0.05 . 1 . . . . . . . . . 5456 1 290 . 1 1 80 80 LEU H H 1 7.51 0.02 . 1 . . . . . . . . . 5456 1 291 . 1 1 80 80 LEU CA C 13 56.8 0.1 . 1 . . . . . . . . . 5456 1 292 . 1 1 80 80 LEU CB C 13 41.7 0.1 . 1 . . . . . . . . . 5456 1 293 . 1 1 80 80 LEU N N 15 121.43 0.05 . 1 . . . . . . . . . 5456 1 294 . 1 1 81 81 VAL H H 1 7.7 0.02 . 1 . . . . . . . . . 5456 1 295 . 1 1 81 81 VAL CA C 13 65.5 0.1 . 1 . . . . . . . . . 5456 1 296 . 1 1 81 81 VAL CB C 13 30.6 0.1 . 1 . . . . . . . . . 5456 1 297 . 1 1 81 81 VAL N N 15 119.59 0.05 . 1 . . . . . . . . . 5456 1 298 . 1 1 82 82 ASP H H 1 7.89 0.02 . 1 . . . . . . . . . 5456 1 299 . 1 1 82 82 ASP CA C 13 58.0 0.1 . 1 . . . . . . . . . 5456 1 300 . 1 1 82 82 ASP CB C 13 41.2 0.1 . 1 . . . . . . . . . 5456 1 301 . 1 1 82 82 ASP N N 15 117.35 0.05 . 1 . . . . . . . . . 5456 1 302 . 1 1 83 83 VAL H H 1 6.85 0.02 . 1 . . . . . . . . . 5456 1 303 . 1 1 83 83 VAL CA C 13 61.7 0.1 . 1 . . . . . . . . . 5456 1 304 . 1 1 83 83 VAL CB C 13 31.2 0.1 . 1 . . . . . . . . . 5456 1 305 . 1 1 83 83 VAL N N 15 108.7 0.05 . 1 . . . . . . . . . 5456 1 306 . 1 1 84 84 MET H H 1 7.68 0.02 . 1 . . . . . . . . . 5456 1 307 . 1 1 84 84 MET CA C 13 57.7 0.1 . 1 . . . . . . . . . 5456 1 308 . 1 1 84 84 MET CB C 13 34.2 0.1 . 1 . . . . . . . . . 5456 1 309 . 1 1 84 84 MET N N 15 121.54 0.05 . 1 . . . . . . . . . 5456 1 310 . 1 1 85 85 GLN H H 1 8.70 0.02 . 1 . . . . . . . . . 5456 1 311 . 1 1 85 85 GLN CA C 13 53.1 0.1 . 1 . . . . . . . . . 5456 1 312 . 1 1 85 85 GLN CB C 13 31.3 0.1 . 1 . . . . . . . . . 5456 1 313 . 1 1 85 85 GLN N N 15 120.78 0.05 . 1 . . . . . . . . . 5456 1 314 . 1 1 86 86 ARG H H 1 8.41 0.02 . 1 . . . . . . . . . 5456 1 315 . 1 1 86 86 ARG CA C 13 56.7 0.1 . 1 . . . . . . . . . 5456 1 316 . 1 1 86 86 ARG CB C 13 29.0 0.1 . 1 . . . . . . . . . 5456 1 317 . 1 1 86 86 ARG N N 15 126.26 0.05 . 1 . . . . . . . . . 5456 1 318 . 1 1 87 87 GLU H H 1 9.15 0.02 . 1 . . . . . . . . . 5456 1 319 . 1 1 87 87 GLU CA C 13 58.2 0.1 . 1 . . . . . . . . . 5456 1 320 . 1 1 87 87 GLU CB C 13 28.5 0.1 . 1 . . . . . . . . . 5456 1 321 . 1 1 87 87 GLU N N 15 129.14 0.05 . 1 . . . . . . . . . 5456 1 322 . 1 1 88 88 GLY H H 1 8.53 0.02 . 1 . . . . . . . . . 5456 1 323 . 1 1 88 88 GLY CA C 13 44.4 0.1 . 1 . . . . . . . . . 5456 1 324 . 1 1 88 88 GLY N N 15 110.33 0.05 . 1 . . . . . . . . . 5456 1 325 . 1 1 89 89 GLY H H 1 8.25 0.02 . 1 . . . . . . . . . 5456 1 326 . 1 1 89 89 GLY CA C 13 44 0.1 . 1 . . . . . . . . . 5456 1 327 . 1 1 89 89 GLY N N 15 104.05 0.05 . 1 . . . . . . . . . 5456 1 328 . 1 1 90 90 PRO CA C 13 61.7 0.1 . 1 . . . . . . . . . 5456 1 329 . 1 1 90 90 PRO CB C 13 32.7 0.1 . 1 . . . . . . . . . 5456 1 330 . 1 1 91 91 SER H H 1 8.35 0.02 . 1 . . . . . . . . . 5456 1 331 . 1 1 91 91 SER CA C 13 57.3 0.1 . 1 . . . . . . . . . 5456 1 332 . 1 1 91 91 SER CB C 13 62.7 0.1 . 1 . . . . . . . . . 5456 1 333 . 1 1 91 91 SER N N 15 112.44 0.05 . 1 . . . . . . . . . 5456 1 334 . 1 1 92 92 GLN H H 1 8.08 0.02 . 1 . . . . . . . . . 5456 1 335 . 1 1 92 92 GLN CA C 13 54.1 0.1 . 1 . . . . . . . . . 5456 1 336 . 1 1 92 92 GLN CB C 13 27.2 0.1 . 1 . . . . . . . . . 5456 1 337 . 1 1 92 92 GLN N N 15 129.36 0.05 . 1 . . . . . . . . . 5456 1 338 . 1 1 93 93 ILE H H 1 7.74 0.02 . 1 . . . . . . . . . 5456 1 339 . 1 1 93 93 ILE CA C 13 65.1 0.1 . 1 . . . . . . . . . 5456 1 340 . 1 1 93 93 ILE CB C 13 36.9 0.1 . 1 . . . . . . . . . 5456 1 341 . 1 1 93 93 ILE N N 15 122.40 0.05 . 1 . . . . . . . . . 5456 1 342 . 1 1 94 94 GLY H H 1 10.39 0.02 . 1 . . . . . . . . . 5456 1 343 . 1 1 94 94 GLY CA C 13 47.4 0.1 . 1 . . . . . . . . . 5456 1 344 . 1 1 94 94 GLY N N 15 114.37 0.05 . 1 . . . . . . . . . 5456 1 345 . 1 1 95 95 ASP H H 1 9.07 0.02 . 1 . . . . . . . . . 5456 1 346 . 1 1 95 95 ASP CA C 13 57.3 0.1 . 1 . . . . . . . . . 5456 1 347 . 1 1 95 95 ASP CB C 13 42.2 0.1 . 1 . . . . . . . . . 5456 1 348 . 1 1 95 95 ASP N N 15 125.18 0.05 . 1 . . . . . . . . . 5456 1 349 . 1 1 96 96 ALA H H 1 7.59 0.02 . 1 . . . . . . . . . 5456 1 350 . 1 1 96 96 ALA CA C 13 54.4 0.1 . 1 . . . . . . . . . 5456 1 351 . 1 1 96 96 ALA CB C 13 20.5 0.1 . 1 . . . . . . . . . 5456 1 352 . 1 1 96 96 ALA N N 15 120.59 0.05 . 1 . . . . . . . . . 5456 1 353 . 1 1 97 97 LEU H H 1 8.89 0.02 . 1 . . . . . . . . . 5456 1 354 . 1 1 97 97 LEU CA C 13 57.0 0.1 . 1 . . . . . . . . . 5456 1 355 . 1 1 97 97 LEU CB C 13 39.6 0.1 . 1 . . . . . . . . . 5456 1 356 . 1 1 97 97 LEU N N 15 118.42 0.05 . 1 . . . . . . . . . 5456 1 357 . 1 1 98 98 GLY H H 1 8.45 0.02 . 1 . . . . . . . . . 5456 1 358 . 1 1 98 98 GLY CA C 13 47.0 0.1 . 1 . . . . . . . . . 5456 1 359 . 1 1 98 98 GLY N N 15 107.01 0.05 . 1 . . . . . . . . . 5456 1 360 . 1 1 99 99 PHE H H 1 8.31 0.02 . 1 . . . . . . . . . 5456 1 361 . 1 1 99 99 PHE CA C 13 61.3 0.1 . 1 . . . . . . . . . 5456 1 362 . 1 1 99 99 PHE CB C 13 38.4 0.1 . 1 . . . . . . . . . 5456 1 363 . 1 1 99 99 PHE N N 15 123.74 0.05 . 1 . . . . . . . . . 5456 1 364 . 1 1 100 100 ALA H H 1 8.89 0.02 . 1 . . . . . . . . . 5456 1 365 . 1 1 100 100 ALA CA C 13 55.2 0.1 . 1 . . . . . . . . . 5456 1 366 . 1 1 100 100 ALA CB C 13 18.2 0.1 . 1 . . . . . . . . . 5456 1 367 . 1 1 100 100 ALA N N 15 122.70 0.05 . 1 . . . . . . . . . 5456 1 368 . 1 1 101 101 VAL H H 1 8.69 0.02 . 1 . . . . . . . . . 5456 1 369 . 1 1 101 101 VAL CA C 13 67.5 0.1 . 1 . . . . . . . . . 5456 1 370 . 1 1 101 101 VAL CB C 13 30.7 0.1 . 1 . . . . . . . . . 5456 1 371 . 1 1 101 101 VAL N N 15 117.05 0.05 . 1 . . . . . . . . . 5456 1 372 . 1 1 102 102 ARG H H 1 7.52 0.02 . 1 . . . . . . . . . 5456 1 373 . 1 1 102 102 ARG CA C 13 59.8 0.1 . 1 . . . . . . . . . 5456 1 374 . 1 1 102 102 ARG CB C 13 29.1 0.1 . 1 . . . . . . . . . 5456 1 375 . 1 1 102 102 ARG N N 15 119.98 0.05 . 1 . . . . . . . . . 5456 1 376 . 1 1 103 103 TYR H H 1 8.43 0.02 . 1 . . . . . . . . . 5456 1 377 . 1 1 103 103 TYR CA C 13 60.9 0.1 . 1 . . . . . . . . . 5456 1 378 . 1 1 103 103 TYR CB C 13 37.3 0.1 . 1 . . . . . . . . . 5456 1 379 . 1 1 103 103 TYR N N 15 122.18 0.05 . 1 . . . . . . . . . 5456 1 380 . 1 1 104 104 LEU H H 1 8.32 0.02 . 1 . . . . . . . . . 5456 1 381 . 1 1 104 104 LEU CA C 13 56.7 0.1 . 1 . . . . . . . . . 5456 1 382 . 1 1 104 104 LEU CB C 13 43.7 0.1 . 1 . . . . . . . . . 5456 1 383 . 1 1 104 104 LEU N N 15 117.45 0.05 . 1 . . . . . . . . . 5456 1 384 . 1 1 105 105 THR H H 1 7.42 0.02 . 1 . . . . . . . . . 5456 1 385 . 1 1 105 105 THR CA C 13 60.5 0.1 . 1 . . . . . . . . . 5456 1 386 . 1 1 105 105 THR CB C 13 69.9 0.1 . 1 . . . . . . . . . 5456 1 387 . 1 1 105 105 THR N N 15 105.34 0.05 . 1 . . . . . . . . . 5456 1 388 . 1 1 106 106 SER H H 1 7.31 0.02 . 1 . . . . . . . . . 5456 1 389 . 1 1 106 106 SER CA C 13 56.9 0.1 . 1 . . . . . . . . . 5456 1 390 . 1 1 106 106 SER CB C 13 62.2 0.1 . 1 . . . . . . . . . 5456 1 391 . 1 1 106 106 SER N N 15 116.40 0.05 . 1 . . . . . . . . . 5456 1 392 . 1 1 107 107 GLU H H 1 9.02 0.02 . 1 . . . . . . . . . 5456 1 393 . 1 1 107 107 GLU CA C 13 58.1 0.1 . 1 . . . . . . . . . 5456 1 394 . 1 1 107 107 GLU CB C 13 28.8 0.1 . 1 . . . . . . . . . 5456 1 395 . 1 1 107 107 GLU N N 15 130.56 0.05 . 1 . . . . . . . . . 5456 1 396 . 1 1 108 108 MET H H 1 8.41 0.02 . 1 . . . . . . . . . 5456 1 397 . 1 1 108 108 MET CA C 13 57.3 0.1 . 1 . . . . . . . . . 5456 1 398 . 1 1 108 108 MET CB C 13 31.7 0.1 . 1 . . . . . . . . . 5456 1 399 . 1 1 108 108 MET N N 15 117.83 0.05 . 1 . . . . . . . . . 5456 1 400 . 1 1 109 109 HIS H H 1 7.32 0.02 . 1 . . . . . . . . . 5456 1 401 . 1 1 109 109 HIS CA C 13 57.2 0.1 . 1 . . . . . . . . . 5456 1 402 . 1 1 109 109 HIS CB C 13 31.4 0.1 . 1 . . . . . . . . . 5456 1 403 . 1 1 109 109 HIS N N 15 115.13 0.05 . 1 . . . . . . . . . 5456 1 404 . 1 1 110 110 GLY H H 1 7.78 0.02 . 1 . . . . . . . . . 5456 1 405 . 1 1 110 110 GLY CA C 13 45.0 0.1 . 1 . . . . . . . . . 5456 1 406 . 1 1 110 110 GLY N N 15 106.08 0.05 . 1 . . . . . . . . . 5456 1 407 . 1 1 111 111 ALA H H 1 7.38 0.02 . 1 . . . . . . . . . 5456 1 408 . 1 1 111 111 ALA CA C 13 51.4 0.1 . 1 . . . . . . . . . 5456 1 409 . 1 1 111 111 ALA CB C 13 17.2 0.1 . 1 . . . . . . . . . 5456 1 410 . 1 1 111 111 ALA N N 15 124.25 0.05 . 1 . . . . . . . . . 5456 1 411 . 1 1 112 112 ARG H H 1 9.01 0.02 . 1 . . . . . . . . . 5456 1 412 . 1 1 112 112 ARG CA C 13 53.8 0.1 . 1 . . . . . . . . . 5456 1 413 . 1 1 112 112 ARG CB C 13 29.8 0.1 . 1 . . . . . . . . . 5456 1 414 . 1 1 112 112 ARG N N 15 122.65 0.05 . 1 . . . . . . . . . 5456 1 415 . 1 1 113 113 PRO CA C 13 63.7 0.1 . 1 . . . . . . . . . 5456 1 416 . 1 1 113 113 PRO CB C 13 31.2 0.1 . 1 . . . . . . . . . 5456 1 417 . 1 1 114 114 GLY H H 1 8.69 0.02 . 1 . . . . . . . . . 5456 1 418 . 1 1 114 114 GLY CA C 13 44.8 0.1 . 1 . . . . . . . . . 5456 1 419 . 1 1 114 114 GLY N N 15 108.71 0.05 . 1 . . . . . . . . . 5456 1 420 . 1 1 115 115 ALA H H 1 7.11 0.02 . 1 . . . . . . . . . 5456 1 421 . 1 1 115 115 ALA CA C 13 51.4 0.1 . 1 . . . . . . . . . 5456 1 422 . 1 1 115 115 ALA CB C 13 19.1 0.1 . 1 . . . . . . . . . 5456 1 423 . 1 1 115 115 ALA N N 15 122.12 0.05 . 1 . . . . . . . . . 5456 1 424 . 1 1 116 116 SER H H 1 8.32 0.02 . 1 . . . . . . . . . 5456 1 425 . 1 1 116 116 SER CA C 13 59.8 0.1 . 1 . . . . . . . . . 5456 1 426 . 1 1 116 116 SER CB C 13 63.5 0.1 . 1 . . . . . . . . . 5456 1 427 . 1 1 116 116 SER N N 15 117.59 0.05 . 1 . . . . . . . . . 5456 1 428 . 1 1 117 117 LYS H H 1 8.68 0.02 . 1 . . . . . . . . . 5456 1 429 . 1 1 117 117 LYS CA C 13 54.0 0.1 . 1 . . . . . . . . . 5456 1 430 . 1 1 117 117 LYS CB C 13 35.7 0.1 . 1 . . . . . . . . . 5456 1 431 . 1 1 117 117 LYS N N 15 121.85 0.05 . 1 . . . . . . . . . 5456 1 432 . 1 1 118 118 ALA H H 1 8.97 0.02 . 1 . . . . . . . . . 5456 1 433 . 1 1 118 118 ALA CA C 13 50.8 0.1 . 1 . . . . . . . . . 5456 1 434 . 1 1 118 118 ALA CB C 13 23.2 0.1 . 1 . . . . . . . . . 5456 1 435 . 1 1 118 118 ALA N N 15 125.63 0.05 . 1 . . . . . . . . . 5456 1 436 . 1 1 119 119 VAL H H 1 8.83 0.02 . 1 . . . . . . . . . 5456 1 437 . 1 1 119 119 VAL CA C 13 59.8 0.1 . 1 . . . . . . . . . 5456 1 438 . 1 1 119 119 VAL CB C 13 35.2 0.1 . 1 . . . . . . . . . 5456 1 439 . 1 1 119 119 VAL N N 15 118.22 0.05 . 1 . . . . . . . . . 5456 1 440 . 1 1 120 120 VAL H H 1 9.21 0.02 . 1 . . . . . . . . . 5456 1 441 . 1 1 120 120 VAL CA C 13 60.7 0.1 . 1 . . . . . . . . . 5456 1 442 . 1 1 120 120 VAL CB C 13 32.3 0.1 . 1 . . . . . . . . . 5456 1 443 . 1 1 120 120 VAL N N 15 129.48 0.05 . 1 . . . . . . . . . 5456 1 444 . 1 1 121 121 ILE H H 1 8.41 0.02 . 1 . . . . . . . . . 5456 1 445 . 1 1 121 121 ILE CA C 13 57.7 0.1 . 1 . . . . . . . . . 5456 1 446 . 1 1 121 121 ILE CB C 13 41.2 0.1 . 1 . . . . . . . . . 5456 1 447 . 1 1 121 121 ILE N N 15 124.41 0.05 . 1 . . . . . . . . . 5456 1 448 . 1 1 122 122 LEU H H 1 8.31 0.02 . 1 . . . . . . . . . 5456 1 449 . 1 1 122 122 LEU CA C 13 53.7 0.1 . 1 . . . . . . . . . 5456 1 450 . 1 1 122 122 LEU CB C 13 41.5 0.1 . 1 . . . . . . . . . 5456 1 451 . 1 1 122 122 LEU N N 15 128.19 0.05 . 1 . . . . . . . . . 5456 1 452 . 1 1 123 123 VAL H H 1 9.15 0.02 . 1 . . . . . . . . . 5456 1 453 . 1 1 123 123 VAL CA C 13 63.4 0.1 . 1 . . . . . . . . . 5456 1 454 . 1 1 123 123 VAL CB C 13 34.7 0.1 . 1 . . . . . . . . . 5456 1 455 . 1 1 123 123 VAL N N 15 124.01 0.05 . 1 . . . . . . . . . 5456 1 456 . 1 1 124 124 THR H H 1 8.43 0.02 . 1 . . . . . . . . . 5456 1 457 . 1 1 124 124 THR CA C 13 61.2 0.1 . 1 . . . . . . . . . 5456 1 458 . 1 1 124 124 THR CB C 13 70.4 0.1 . 1 . . . . . . . . . 5456 1 459 . 1 1 124 124 THR N N 15 114.48 0.05 . 1 . . . . . . . . . 5456 1 460 . 1 1 125 125 ASP H H 1 8.18 0.02 . 1 . . . . . . . . . 5456 1 461 . 1 1 125 125 ASP CA C 13 51.7 0.1 . 1 . . . . . . . . . 5456 1 462 . 1 1 125 125 ASP CB C 13 44.6 0.1 . 1 . . . . . . . . . 5456 1 463 . 1 1 125 125 ASP N N 15 125.43 0.05 . 1 . . . . . . . . . 5456 1 464 . 1 1 126 126 VAL H H 1 9.36 0.02 . 1 . . . . . . . . . 5456 1 465 . 1 1 126 126 VAL CA C 13 62.1 0.1 . 1 . . . . . . . . . 5456 1 466 . 1 1 126 126 VAL CB C 13 32.4 0.1 . 1 . . . . . . . . . 5456 1 467 . 1 1 126 126 VAL N N 15 120.74 0.05 . 1 . . . . . . . . . 5456 1 468 . 1 1 127 127 SER H H 1 8.96 0.02 . 1 . . . . . . . . . 5456 1 469 . 1 1 127 127 SER CA C 13 58.7 0.1 . 1 . . . . . . . . . 5456 1 470 . 1 1 127 127 SER CB C 13 62.7 0.1 . 1 . . . . . . . . . 5456 1 471 . 1 1 127 127 SER N N 15 120.11 0.05 . 1 . . . . . . . . . 5456 1 472 . 1 1 128 128 VAL H H 1 8.85 0.02 . 1 . . . . . . . . . 5456 1 473 . 1 1 128 128 VAL CA C 13 62.7 0.1 . 1 . . . . . . . . . 5456 1 474 . 1 1 128 128 VAL CB C 13 31.2 0.1 . 1 . . . . . . . . . 5456 1 475 . 1 1 128 128 VAL N N 15 122.69 0.05 . 1 . . . . . . . . . 5456 1 476 . 1 1 129 129 ASP H H 1 8.39 0.02 . 1 . . . . . . . . . 5456 1 477 . 1 1 129 129 ASP CA C 13 50.7 0.1 . 1 . . . . . . . . . 5456 1 478 . 1 1 129 129 ASP CB C 13 42.0 0.1 . 1 . . . . . . . . . 5456 1 479 . 1 1 129 129 ASP N N 15 120.19 0.05 . 1 . . . . . . . . . 5456 1 480 . 1 1 130 130 SER H H 1 8.2 0.02 . 1 . . . . . . . . . 5456 1 481 . 1 1 130 130 SER CA C 13 57.7 0.1 . 1 . . . . . . . . . 5456 1 482 . 1 1 130 130 SER CB C 13 63.2 0.1 . 1 . . . . . . . . . 5456 1 483 . 1 1 130 130 SER N N 15 113.82 0.05 . 1 . . . . . . . . . 5456 1 484 . 1 1 131 131 VAL H H 1 8.72 0.02 . 1 . . . . . . . . . 5456 1 485 . 1 1 131 131 VAL CA C 13 61.3 0.1 . 1 . . . . . . . . . 5456 1 486 . 1 1 131 131 VAL CB C 13 31.7 0.1 . 1 . . . . . . . . . 5456 1 487 . 1 1 131 131 VAL N N 15 117.62 0.05 . 1 . . . . . . . . . 5456 1 488 . 1 1 132 132 ASP H H 1 8.17 0.02 . 1 . . . . . . . . . 5456 1 489 . 1 1 132 132 ASP CA C 13 57.8 0.1 . 1 . . . . . . . . . 5456 1 490 . 1 1 132 132 ASP CB C 13 39.8 0.1 . 1 . . . . . . . . . 5456 1 491 . 1 1 132 132 ASP N N 15 120.69 0.05 . 1 . . . . . . . . . 5456 1 492 . 1 1 133 133 ALA H H 1 8.49 0.02 . 1 . . . . . . . . . 5456 1 493 . 1 1 133 133 ALA CA C 13 55.0 0.1 . 1 . . . . . . . . . 5456 1 494 . 1 1 133 133 ALA CB C 13 17.0 0.1 . 1 . . . . . . . . . 5456 1 495 . 1 1 133 133 ALA N N 15 122.51 0.05 . 1 . . . . . . . . . 5456 1 496 . 1 1 134 134 ALA H H 1 8.62 0.02 . 1 . . . . . . . . . 5456 1 497 . 1 1 134 134 ALA CA C 13 54.6 0.1 . 1 . . . . . . . . . 5456 1 498 . 1 1 134 134 ALA CB C 13 19.0 0.1 . 1 . . . . . . . . . 5456 1 499 . 1 1 134 134 ALA N N 15 124.22 0.05 . 1 . . . . . . . . . 5456 1 500 . 1 1 135 135 ALA H H 1 8.16 0.02 . 1 . . . . . . . . . 5456 1 501 . 1 1 135 135 ALA CA C 13 55.0 0.1 . 1 . . . . . . . . . 5456 1 502 . 1 1 135 135 ALA CB C 13 18.6 0.1 . 1 . . . . . . . . . 5456 1 503 . 1 1 135 135 ALA N N 15 120.24 0.05 . 1 . . . . . . . . . 5456 1 504 . 1 1 136 136 ASP H H 1 8.12 0.02 . 1 . . . . . . . . . 5456 1 505 . 1 1 136 136 ASP CA C 13 57.1 0.1 . 1 . . . . . . . . . 5456 1 506 . 1 1 136 136 ASP CB C 13 40.7 0.1 . 1 . . . . . . . . . 5456 1 507 . 1 1 136 136 ASP N N 15 120.07 0.05 . 1 . . . . . . . . . 5456 1 508 . 1 1 137 137 ALA H H 1 8.34 0.02 . 1 . . . . . . . . . 5456 1 509 . 1 1 137 137 ALA CA C 13 54.7 0.1 . 1 . . . . . . . . . 5456 1 510 . 1 1 137 137 ALA CB C 13 16.7 0.1 . 1 . . . . . . . . . 5456 1 511 . 1 1 137 137 ALA N N 15 124.69 0.05 . 1 . . . . . . . . . 5456 1 512 . 1 1 138 138 ALA H H 1 8.37 0.02 . 1 . . . . . . . . . 5456 1 513 . 1 1 138 138 ALA CA C 13 55.7 0.1 . 1 . . . . . . . . . 5456 1 514 . 1 1 138 138 ALA CB C 13 16.2 0.1 . 1 . . . . . . . . . 5456 1 515 . 1 1 138 138 ALA N N 15 121.49 0.05 . 1 . . . . . . . . . 5456 1 516 . 1 1 139 139 ARG H H 1 7.76 0.02 . 1 . . . . . . . . . 5456 1 517 . 1 1 139 139 ARG CA C 13 59.4 0.1 . 1 . . . . . . . . . 5456 1 518 . 1 1 139 139 ARG CB C 13 29.2 0.1 . 1 . . . . . . . . . 5456 1 519 . 1 1 139 139 ARG N N 15 119.15 0.05 . 1 . . . . . . . . . 5456 1 520 . 1 1 140 140 SER H H 1 8.84 0.02 . 1 . . . . . . . . . 5456 1 521 . 1 1 140 140 SER CA C 13 61.4 0.1 . 1 . . . . . . . . . 5456 1 522 . 1 1 140 140 SER CB C 13 62.7 0.1 . 1 . . . . . . . . . 5456 1 523 . 1 1 140 140 SER N N 15 116.25 0.05 . 1 . . . . . . . . . 5456 1 524 . 1 1 141 141 ASN H H 1 7.48 0.02 . 1 . . . . . . . . . 5456 1 525 . 1 1 141 141 ASN CA C 13 53.8 0.1 . 1 . . . . . . . . . 5456 1 526 . 1 1 141 141 ASN CB C 13 39.9 0.1 . 1 . . . . . . . . . 5456 1 527 . 1 1 141 141 ASN N N 15 117.08 0.05 . 1 . . . . . . . . . 5456 1 528 . 1 1 142 142 ARG H H 1 7.89 0.02 . 1 . . . . . . . . . 5456 1 529 . 1 1 142 142 ARG CA C 13 57.3 0.1 . 1 . . . . . . . . . 5456 1 530 . 1 1 142 142 ARG CB C 13 26.2 0.1 . 1 . . . . . . . . . 5456 1 531 . 1 1 142 142 ARG N N 15 114.28 0.05 . 1 . . . . . . . . . 5456 1 532 . 1 1 143 143 VAL H H 1 8.39 0.02 . 1 . . . . . . . . . 5456 1 533 . 1 1 143 143 VAL CA C 13 61.2 0.1 . 1 . . . . . . . . . 5456 1 534 . 1 1 143 143 VAL CB C 13 32.0 0.1 . 1 . . . . . . . . . 5456 1 535 . 1 1 143 143 VAL N N 15 119.23 0.05 . 1 . . . . . . . . . 5456 1 536 . 1 1 144 144 THR H H 1 8.28 0.02 . 1 . . . . . . . . . 5456 1 537 . 1 1 144 144 THR CA C 13 63.2 0.1 . 1 . . . . . . . . . 5456 1 538 . 1 1 144 144 THR CB C 13 68.5 0.1 . 1 . . . . . . . . . 5456 1 539 . 1 1 144 144 THR N N 15 126.34 0.05 . 1 . . . . . . . . . 5456 1 540 . 1 1 145 145 VAL H H 1 8.44 0.02 . 1 . . . . . . . . . 5456 1 541 . 1 1 145 145 VAL CA C 13 61.0 0.1 . 1 . . . . . . . . . 5456 1 542 . 1 1 145 145 VAL CB C 13 32.8 0.1 . 1 . . . . . . . . . 5456 1 543 . 1 1 145 145 VAL N N 15 128.13 0.05 . 1 . . . . . . . . . 5456 1 544 . 1 1 146 146 PHE H H 1 9.24 0.02 . 1 . . . . . . . . . 5456 1 545 . 1 1 146 146 PHE CA C 13 54.7 0.1 . 1 . . . . . . . . . 5456 1 546 . 1 1 146 146 PHE N N 15 126.42 0.05 . 1 . . . . . . . . . 5456 1 547 . 1 1 147 147 PRO CA C 13 60.5 0.1 . 1 . . . . . . . . . 5456 1 548 . 1 1 147 147 PRO CB C 13 32.2 0.1 . 1 . . . . . . . . . 5456 1 549 . 1 1 148 148 ILE H H 1 9.04 0.02 . 1 . . . . . . . . . 5456 1 550 . 1 1 148 148 ILE CA C 13 59.1 0.1 . 1 . . . . . . . . . 5456 1 551 . 1 1 148 148 ILE CB C 13 37.7 0.1 . 1 . . . . . . . . . 5456 1 552 . 1 1 148 148 ILE N N 15 125.25 0.05 . 1 . . . . . . . . . 5456 1 553 . 1 1 149 149 GLY H H 1 8.98 0.02 . 1 . . . . . . . . . 5456 1 554 . 1 1 149 149 GLY CA C 13 44.3 0.1 . 1 . . . . . . . . . 5456 1 555 . 1 1 149 149 GLY N N 15 114.26 0.05 . 1 . . . . . . . . . 5456 1 556 . 1 1 150 150 ILE H H 1 8.11 0.02 . 1 . . . . . . . . . 5456 1 557 . 1 1 150 150 ILE CA C 13 59.7 0.1 . 1 . . . . . . . . . 5456 1 558 . 1 1 150 150 ILE CB C 13 40.2 0.1 . 1 . . . . . . . . . 5456 1 559 . 1 1 150 150 ILE N N 15 124.43 0.05 . 1 . . . . . . . . . 5456 1 560 . 1 1 151 151 GLY H H 1 8.57 0.02 . 1 . . . . . . . . . 5456 1 561 . 1 1 151 151 GLY CA C 13 45.3 0.1 . 1 . . . . . . . . . 5456 1 562 . 1 1 151 151 GLY N N 15 114.35 0.05 . 1 . . . . . . . . . 5456 1 563 . 1 1 152 152 ASP H H 1 8.18 0.02 . 1 . . . . . . . . . 5456 1 564 . 1 1 152 152 ASP CA C 13 53.4 0.1 . 1 . . . . . . . . . 5456 1 565 . 1 1 152 152 ASP CB C 13 41.6 0.1 . 1 . . . . . . . . . 5456 1 566 . 1 1 152 152 ASP N N 15 118.44 0.05 . 1 . . . . . . . . . 5456 1 567 . 1 1 153 153 ARG H H 1 9.38 0.02 . 1 . . . . . . . . . 5456 1 568 . 1 1 153 153 ARG CA C 13 56.3 0.1 . 1 . . . . . . . . . 5456 1 569 . 1 1 153 153 ARG CB C 13 31.2 0.1 . 1 . . . . . . . . . 5456 1 570 . 1 1 153 153 ARG N N 15 119.24 0.05 . 1 . . . . . . . . . 5456 1 571 . 1 1 154 154 TYR H H 1 6.29 0.02 . 1 . . . . . . . . . 5456 1 572 . 1 1 154 154 TYR CA C 13 56.0 0.1 . 1 . . . . . . . . . 5456 1 573 . 1 1 154 154 TYR CB C 13 31.8 0.1 . 1 . . . . . . . . . 5456 1 574 . 1 1 154 154 TYR N N 15 112.25 0.05 . 1 . . . . . . . . . 5456 1 575 . 1 1 155 155 ASP H H 1 9.19 0.02 . 1 . . . . . . . . . 5456 1 576 . 1 1 155 155 ASP CA C 13 52.3 0.1 . 1 . . . . . . . . . 5456 1 577 . 1 1 155 155 ASP CB C 13 42.7 0.1 . 1 . . . . . . . . . 5456 1 578 . 1 1 155 155 ASP N N 15 121.27 0.05 . 1 . . . . . . . . . 5456 1 579 . 1 1 156 156 ALA H H 1 9.16 0.02 . 1 . . . . . . . . . 5456 1 580 . 1 1 156 156 ALA CA C 13 55.5 0.1 . 1 . . . . . . . . . 5456 1 581 . 1 1 156 156 ALA CB C 13 18.0 0.1 . 1 . . . . . . . . . 5456 1 582 . 1 1 156 156 ALA N N 15 130.19 0.05 . 1 . . . . . . . . . 5456 1 583 . 1 1 157 157 ALA H H 1 8.40 0.02 . 1 . . . . . . . . . 5456 1 584 . 1 1 157 157 ALA CA C 13 55.0 0.1 . 1 . . . . . . . . . 5456 1 585 . 1 1 157 157 ALA CB C 13 17.5 0.1 . 1 . . . . . . . . . 5456 1 586 . 1 1 157 157 ALA N N 15 120.81 0.05 . 1 . . . . . . . . . 5456 1 587 . 1 1 158 158 GLN H H 1 7.87 0.02 . 1 . . . . . . . . . 5456 1 588 . 1 1 158 158 GLN CA C 13 59.1 0.1 . 1 . . . . . . . . . 5456 1 589 . 1 1 158 158 GLN CB C 13 28.0 0.1 . 1 . . . . . . . . . 5456 1 590 . 1 1 158 158 GLN N N 15 118.45 0.05 . 1 . . . . . . . . . 5456 1 591 . 1 1 159 159 LEU H H 1 7.69 0.02 . 1 . . . . . . . . . 5456 1 592 . 1 1 159 159 LEU CA C 13 58.4 0.1 . 1 . . . . . . . . . 5456 1 593 . 1 1 159 159 LEU CB C 13 40.1 0.1 . 1 . . . . . . . . . 5456 1 594 . 1 1 159 159 LEU N N 15 116.17 0.05 . 1 . . . . . . . . . 5456 1 595 . 1 1 160 160 ARG H H 1 7.40 0.02 . 1 . . . . . . . . . 5456 1 596 . 1 1 160 160 ARG CA C 13 59.5 0.1 . 1 . . . . . . . . . 5456 1 597 . 1 1 160 160 ARG CB C 13 29.4 0.1 . 1 . . . . . . . . . 5456 1 598 . 1 1 160 160 ARG N N 15 116.29 0.05 . 1 . . . . . . . . . 5456 1 599 . 1 1 161 161 ILE H H 1 7.68 0.02 . 1 . . . . . . . . . 5456 1 600 . 1 1 161 161 ILE CA C 13 64.4 0.1 . 1 . . . . . . . . . 5456 1 601 . 1 1 161 161 ILE CB C 13 37.2 0.1 . 1 . . . . . . . . . 5456 1 602 . 1 1 161 161 ILE N N 15 120.43 0.05 . 1 . . . . . . . . . 5456 1 603 . 1 1 162 162 LEU H H 1 7.87 0.02 . 1 . . . . . . . . . 5456 1 604 . 1 1 162 162 LEU CA C 13 57.9 0.1 . 1 . . . . . . . . . 5456 1 605 . 1 1 162 162 LEU CB C 13 41.9 0.1 . 1 . . . . . . . . . 5456 1 606 . 1 1 162 162 LEU N N 15 118.45 0.05 . 1 . . . . . . . . . 5456 1 607 . 1 1 163 163 ALA H H 1 7.23 0.02 . 1 . . . . . . . . . 5456 1 608 . 1 1 163 163 ALA CA C 13 52.7 0.1 . 1 . . . . . . . . . 5456 1 609 . 1 1 163 163 ALA CB C 13 19.5 0.1 . 1 . . . . . . . . . 5456 1 610 . 1 1 163 163 ALA N N 15 115.85 0.05 . 1 . . . . . . . . . 5456 1 611 . 1 1 164 164 GLY H H 1 7.67 0.02 . 1 . . . . . . . . . 5456 1 612 . 1 1 164 164 GLY CA C 13 44.8 0.1 . 1 . . . . . . . . . 5456 1 613 . 1 1 164 164 GLY N N 15 107.2 0.05 . 1 . . . . . . . . . 5456 1 614 . 1 1 165 165 PRO CA C 13 64.6 0.1 . 1 . . . . . . . . . 5456 1 615 . 1 1 165 165 PRO CB C 13 31.2 0.1 . 1 . . . . . . . . . 5456 1 616 . 1 1 166 166 ALA H H 1 7.88 0.02 . 1 . . . . . . . . . 5456 1 617 . 1 1 166 166 ALA CA C 13 52.9 0.1 . 1 . . . . . . . . . 5456 1 618 . 1 1 166 166 ALA CB C 13 18.7 0.1 . 1 . . . . . . . . . 5456 1 619 . 1 1 166 166 ALA N N 15 119.54 0.05 . 1 . . . . . . . . . 5456 1 620 . 1 1 167 167 GLY H H 1 7.72 0.02 . 1 . . . . . . . . . 5456 1 621 . 1 1 167 167 GLY CA C 13 45.7 0.1 . 1 . . . . . . . . . 5456 1 622 . 1 1 167 167 GLY N N 15 105.54 0.05 . 1 . . . . . . . . . 5456 1 623 . 1 1 168 168 ASP H H 1 8.59 0.02 . 1 . . . . . . . . . 5456 1 624 . 1 1 168 168 ASP CA C 13 57.0 0.1 . 1 . . . . . . . . . 5456 1 625 . 1 1 168 168 ASP CB C 13 40.7 0.1 . 1 . . . . . . . . . 5456 1 626 . 1 1 168 168 ASP N N 15 121.41 0.05 . 1 . . . . . . . . . 5456 1 627 . 1 1 169 169 SER H H 1 9.16 0.02 . 1 . . . . . . . . . 5456 1 628 . 1 1 169 169 SER CA C 13 61.0 0.1 . 1 . . . . . . . . . 5456 1 629 . 1 1 169 169 SER CB C 13 62.8 0.1 . 1 . . . . . . . . . 5456 1 630 . 1 1 169 169 SER N N 15 113.79 0.05 . 1 . . . . . . . . . 5456 1 631 . 1 1 170 170 ASN H H 1 7.72 0.02 . 1 . . . . . . . . . 5456 1 632 . 1 1 170 170 ASN CA C 13 52.0 0.1 . 1 . . . . . . . . . 5456 1 633 . 1 1 170 170 ASN CB C 13 39.2 0.1 . 1 . . . . . . . . . 5456 1 634 . 1 1 170 170 ASN N N 15 119.46 0.05 . 1 . . . . . . . . . 5456 1 635 . 1 1 171 171 VAL H H 1 7.13 0.02 . 1 . . . . . . . . . 5456 1 636 . 1 1 171 171 VAL CA C 13 62.0 0.1 . 1 . . . . . . . . . 5456 1 637 . 1 1 171 171 VAL CB C 13 32.6 0.1 . 1 . . . . . . . . . 5456 1 638 . 1 1 171 171 VAL N N 15 118.49 0.05 . 1 . . . . . . . . . 5456 1 639 . 1 1 172 172 VAL H H 1 8.38 0.02 . 1 . . . . . . . . . 5456 1 640 . 1 1 172 172 VAL CA C 13 61.3 0.1 . 1 . . . . . . . . . 5456 1 641 . 1 1 172 172 VAL CB C 13 33.7 0.1 . 1 . . . . . . . . . 5456 1 642 . 1 1 172 172 VAL N N 15 129.64 0.05 . 1 . . . . . . . . . 5456 1 643 . 1 1 173 173 LYS H H 1 8.38 0.02 . 1 . . . . . . . . . 5456 1 644 . 1 1 173 173 LYS CA C 13 55.0 0.1 . 1 . . . . . . . . . 5456 1 645 . 1 1 173 173 LYS CB C 13 33.0 0.1 . 1 . . . . . . . . . 5456 1 646 . 1 1 173 173 LYS N N 15 126.31 0.05 . 1 . . . . . . . . . 5456 1 647 . 1 1 174 174 LEU H H 1 9.04 0.02 . 1 . . . . . . . . . 5456 1 648 . 1 1 174 174 LEU CA C 13 52.7 0.1 . 1 . . . . . . . . . 5456 1 649 . 1 1 174 174 LEU CB C 13 43.4 0.1 . 1 . . . . . . . . . 5456 1 650 . 1 1 174 174 LEU N N 15 123.52 0.05 . 1 . . . . . . . . . 5456 1 651 . 1 1 175 175 GLN H H 1 9.23 0.02 . 1 . . . . . . . . . 5456 1 652 . 1 1 175 175 GLN CA C 13 58.3 0.1 . 1 . . . . . . . . . 5456 1 653 . 1 1 175 175 GLN CB C 13 29.1 0.1 . 1 . . . . . . . . . 5456 1 654 . 1 1 175 175 GLN N N 15 124.51 0.05 . 1 . . . . . . . . . 5456 1 655 . 1 1 176 176 ARG H H 1 7.68 0.02 . 1 . . . . . . . . . 5456 1 656 . 1 1 176 176 ARG CA C 13 53.5 0.1 . 1 . . . . . . . . . 5456 1 657 . 1 1 176 176 ARG CB C 13 31.7 0.1 . 1 . . . . . . . . . 5456 1 658 . 1 1 176 176 ARG N N 15 113.82 0.05 . 1 . . . . . . . . . 5456 1 659 . 1 1 177 177 ILE H H 1 8.49 0.02 . 1 . . . . . . . . . 5456 1 660 . 1 1 177 177 ILE CA C 13 60.7 0.1 . 1 . . . . . . . . . 5456 1 661 . 1 1 177 177 ILE CB C 13 37.2 0.1 . 1 . . . . . . . . . 5456 1 662 . 1 1 177 177 ILE N N 15 123.49 0.05 . 1 . . . . . . . . . 5456 1 663 . 1 1 178 178 GLU H H 1 9.36 0.02 . 1 . . . . . . . . . 5456 1 664 . 1 1 178 178 GLU CA C 13 59.5 0.1 . 1 . . . . . . . . . 5456 1 665 . 1 1 178 178 GLU CB C 13 27.5 0.1 . 1 . . . . . . . . . 5456 1 666 . 1 1 178 178 GLU N N 15 121.12 0.05 . 1 . . . . . . . . . 5456 1 667 . 1 1 179 179 ASP H H 1 7.40 0.02 . 1 . . . . . . . . . 5456 1 668 . 1 1 179 179 ASP CA C 13 54.7 0.1 . 1 . . . . . . . . . 5456 1 669 . 1 1 179 179 ASP CB C 13 41.1 0.1 . 1 . . . . . . . . . 5456 1 670 . 1 1 179 179 ASP N N 15 116.29 0.05 . 1 . . . . . . . . . 5456 1 671 . 1 1 180 180 LEU H H 1 7.95 0.02 . 1 . . . . . . . . . 5456 1 672 . 1 1 180 180 LEU CA C 13 59.2 0.1 . 1 . . . . . . . . . 5456 1 673 . 1 1 180 180 LEU CB C 13 38.9 0.1 . 1 . . . . . . . . . 5456 1 674 . 1 1 180 180 LEU N N 15 121.25 0.05 . 1 . . . . . . . . . 5456 1 675 . 1 1 181 181 PRO CA C 13 66.5 0.1 . 1 . . . . . . . . . 5456 1 676 . 1 1 181 181 PRO CB C 13 29.9 0.1 . 1 . . . . . . . . . 5456 1 677 . 1 1 182 182 THR H H 1 6.91 0.02 . 1 . . . . . . . . . 5456 1 678 . 1 1 182 182 THR CA C 13 63.4 0.1 . 1 . . . . . . . . . 5456 1 679 . 1 1 182 182 THR CB C 13 68.5 0.1 . 1 . . . . . . . . . 5456 1 680 . 1 1 182 182 THR N N 15 107.38 0.05 . 1 . . . . . . . . . 5456 1 681 . 1 1 183 183 MET H H 1 7.75 0.02 . 1 . . . . . . . . . 5456 1 682 . 1 1 183 183 MET CA C 13 58.1 0.1 . 1 . . . . . . . . . 5456 1 683 . 1 1 183 183 MET CB C 13 32.5 0.1 . 1 . . . . . . . . . 5456 1 684 . 1 1 183 183 MET N N 15 120.14 0.05 . 1 . . . . . . . . . 5456 1 685 . 1 1 184 184 VAL H H 1 7.47 0.02 . 1 . . . . . . . . . 5456 1 686 . 1 1 184 184 VAL CA C 13 62.5 0.1 . 1 . . . . . . . . . 5456 1 687 . 1 1 184 184 VAL CB C 13 31.8 0.1 . 1 . . . . . . . . . 5456 1 688 . 1 1 184 184 VAL N N 15 112.1 0.05 . 1 . . . . . . . . . 5456 1 689 . 1 1 185 185 THR H H 1 7.78 0.02 . 1 . . . . . . . . . 5456 1 690 . 1 1 185 185 THR CA C 13 63.5 0.1 . 1 . . . . . . . . . 5456 1 691 . 1 1 185 185 THR CB C 13 69.2 0.1 . 1 . . . . . . . . . 5456 1 692 . 1 1 185 185 THR N N 15 111.36 0.05 . 1 . . . . . . . . . 5456 1 693 . 1 1 186 186 LEU H H 1 7.88 0.02 . 1 . . . . . . . . . 5456 1 694 . 1 1 186 186 LEU CA C 13 55.3 0.1 . 1 . . . . . . . . . 5456 1 695 . 1 1 186 186 LEU CB C 13 41.2 0.1 . 1 . . . . . . . . . 5456 1 696 . 1 1 186 186 LEU N N 15 122.03 0.05 . 1 . . . . . . . . . 5456 1 697 . 1 1 187 187 GLY H H 1 7.90 0.02 . 1 . . . . . . . . . 5456 1 698 . 1 1 187 187 GLY CA C 13 45.2 0.1 . 1 . . . . . . . . . 5456 1 699 . 1 1 187 187 GLY N N 15 108.85 0.05 . 1 . . . . . . . . . 5456 1 700 . 1 1 188 188 ASN H H 1 8.80 0.02 . 1 . . . . . . . . . 5456 1 701 . 1 1 188 188 ASN N N 15 114.67 0.05 . 1 . . . . . . . . . 5456 1 702 . 1 1 190 190 PHE H H 1 8.58 0.02 . 1 . . . . . . . . . 5456 1 703 . 1 1 190 190 PHE CA C 13 61.0 0.1 . 1 . . . . . . . . . 5456 1 704 . 1 1 190 190 PHE CB C 13 38.7 0.1 . 1 . . . . . . . . . 5456 1 705 . 1 1 190 190 PHE N N 15 123.27 0.05 . 1 . . . . . . . . . 5456 1 706 . 1 1 191 191 LEU H H 1 7.82 0.02 . 1 . . . . . . . . . 5456 1 707 . 1 1 191 191 LEU CA C 13 57.6 0.1 . 1 . . . . . . . . . 5456 1 708 . 1 1 191 191 LEU CB C 13 40.2 0.1 . 1 . . . . . . . . . 5456 1 709 . 1 1 191 191 LEU N N 15 118.04 0.05 . 1 . . . . . . . . . 5456 1 710 . 1 1 192 192 HIS H H 1 7.99 0.02 . 1 . . . . . . . . . 5456 1 711 . 1 1 192 192 HIS CA C 13 58.4 0.1 . 1 . . . . . . . . . 5456 1 712 . 1 1 192 192 HIS CB C 13 28.8 0.1 . 1 . . . . . . . . . 5456 1 713 . 1 1 192 192 HIS N N 15 116.15 0.05 . 1 . . . . . . . . . 5456 1 714 . 1 1 193 193 LYS H H 1 7.74 0.02 . 1 . . . . . . . . . 5456 1 715 . 1 1 193 193 LYS CA C 13 58.6 0.1 . 1 . . . . . . . . . 5456 1 716 . 1 1 193 193 LYS CB C 13 31.7 0.1 . 1 . . . . . . . . . 5456 1 717 . 1 1 193 193 LYS N N 15 119.79 0.05 . 1 . . . . . . . . . 5456 1 718 . 1 1 194 194 LEU H H 1 7.16 0.02 . 1 . . . . . . . . . 5456 1 719 . 1 1 194 194 LEU CA C 13 56.0 0.1 . 1 . . . . . . . . . 5456 1 720 . 1 1 194 194 LEU CB C 13 41.0 0.1 . 1 . . . . . . . . . 5456 1 721 . 1 1 194 194 LEU N N 15 118.05 0.05 . 1 . . . . . . . . . 5456 1 722 . 1 1 195 195 CYS H H 1 7.75 0.02 . 1 . . . . . . . . . 5456 1 723 . 1 1 195 195 CYS CA C 13 55.4 0.1 . 1 . . . . . . . . . 5456 1 724 . 1 1 195 195 CYS CB C 13 41.4 0.1 . 1 . . . . . . . . . 5456 1 725 . 1 1 195 195 CYS N N 15 112.4 0.05 . 1 . . . . . . . . . 5456 1 726 . 1 1 196 196 SER H H 1 7.86 0.02 . 1 . . . . . . . . . 5456 1 727 . 1 1 196 196 SER CA C 13 58.6 0.1 . 1 . . . . . . . . . 5456 1 728 . 1 1 196 196 SER CB C 13 64.2 0.1 . 1 . . . . . . . . . 5456 1 729 . 1 1 196 196 SER N N 15 115.39 0.05 . 1 . . . . . . . . . 5456 1 730 . 1 1 197 197 GLY H H 1 7.83 0.02 . 1 . . . . . . . . . 5456 1 731 . 1 1 197 197 GLY CA C 13 46.2 0.1 . 1 . . . . . . . . . 5456 1 732 . 1 1 197 197 GLY N N 15 116.42 0.05 . 1 . . . . . . . . . 5456 1 stop_ save_