data_17084 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17084 _Entry.Title ; NMR structure of mouse PrP fragment 121-231 at 20 C. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-28 _Entry.Accession_date 2010-07-28 _Entry.Last_release_date 2012-08-02 _Entry.Original_release_date 2012-08-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 Barbara Christen . . . 17084 2 Fred Damberger . F. . 17084 3 Daniel Perez . R. . 17084 4 Simone Hornemann . . . 17084 5 Kurt Wuthrich . . . 17084 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' . 17084 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID '20 C' . 17084 mouse . 17084 NMR . 17084 prion . 17084 temperature . 17084 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17084 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 366 17084 '15N chemical shifts' 129 17084 '1H chemical shifts' 417 17084 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 . . 2012-08-02 2010-07-28 original author . 17084 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17081 'Prion Protein with Mutation Y169G' 17084 BMRB 17082 'Prion Protein with Mutation F175A' 17084 BMRB 17087 'Prion Protein with mutation Y169A, Y225A, and Y226A' 17084 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 17084 _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 'Temperature-dependent conformational exchange in the cellular form of prion proteins' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Barbara Christen . . . 17084 1 2 Fred Damberger . F. . 17084 1 3 Daniel Perez . R. . 17084 1 4 Simone Hornemann . . . 17084 1 5 Kurt Wuthrich . . . 17084 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17084 _Assembly.ID 1 _Assembly.Name prion _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _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 prion 1 $prion A . yes native no no . . . 17084 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 61 61 SG . 1 . 1 CYS 96 96 SG 1 . 179 CYS SG 1 . 214 CYS SG 17084 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 CYS 61 61 HG . 179 CYS HG 17084 1 . . 1 1 CYS 96 96 HG . 214 CYS HG 17084 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_prion _Entity.Sf_category entity _Entity.Sf_framecode prion _Entity.Entry_ID 17084 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name prion _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 ; GSVVGGLGGYMLGSAMSRPM IHFGNDWEDRYYRENMYRYP NQVYYRPVDQYSNQNNFVHD CVNITIKQHTVTTTTKGENF TETDVKMMERVVEQMCVTQY QKESQAYYDGRRSS ; _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 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 BMRB 15845 . Prion_Protein . . . . . 100.00 114 99.12 100.00 3.57e-78 . . . . 17084 1 2 no BMRB 16071 . mPrP90 . . . . . 99.12 144 99.12 100.00 5.14e-78 . . . . 17084 1 3 no BMRB 16075 . mPrP90_M129V . . . . . 99.12 141 98.23 100.00 2.29e-77 . . . . 17084 1 4 no BMRB 16076 . mPrP90_P102L . . . . . 99.12 141 99.12 100.00 3.67e-78 . . . . 17084 1 5 no BMRB 16077 . mPrP90_P105L . . . . . 99.12 141 99.12 100.00 3.67e-78 . . . . 17084 1 6 no BMRB 16078 . mPrP90_A117V . . . . . 99.12 142 99.12 100.00 6.61e-78 . . . . 17084 1 7 no BMRB 16079 . mPrP90_3AV . . . . . 99.12 142 99.12 100.00 1.22e-77 . . . . 17084 1 8 no BMRB 16080 . mPrP90_2II . . . . . 99.12 142 99.12 100.00 5.80e-78 . . . . 17084 1 9 no BMRB 16184 . mpp_121-231 . . . . . 100.00 114 98.25 98.25 4.74e-77 . . . . 17084 1 10 no BMRB 16185 . mpp_121-231 . . . . . 100.00 114 99.12 99.12 2.43e-78 . . . . 17084 1 11 no BMRB 16722 . "mouse prion protein double mutant D167S, N173K" . . . . . 99.12 113 99.12 99.12 3.42e-77 . . . . 17084 1 12 no BMRB 16723 . "mouse prion protein double mutant D167S, N173K" . . . . . 99.12 113 98.23 98.23 2.07e-76 . . . . 17084 1 13 no BMRB 17081 . "Prion with Y169G mutation" . . . . . 100.00 114 99.12 99.12 1.66e-77 . . . . 17084 1 14 no BMRB 17082 . mPrP121-231_F175A . . . . . 100.00 114 99.12 99.12 1.04e-77 . . . . 17084 1 15 no BMRB 17087 . "Prion with Y169A, Y225A, Y226A mutation" . . . . . 100.00 114 97.37 97.37 3.07e-76 . . . . 17084 1 16 no BMRB 17174 . Mouse_prion . . . . . 100.00 114 100.00 100.00 7.40e-79 . . . . 17084 1 17 no BMRB 17213 . entity . . . . . 100.00 114 99.12 99.12 5.64e-78 . . . . 17084 1 18 no BMRB 17758 . mPrP(121-232) . . . . . 100.00 114 100.00 100.00 7.40e-79 . . . . 17084 1 19 no BMRB 17759 . mPrP(121-232) . . . . . 100.00 114 98.25 98.25 4.54e-76 . . . . 17084 1 20 no PDB 1AG2 . "Prion Protein Domain Prp(121-231) From Mouse, Nmr, 2 Minimized Average Structure" . . . . . 89.47 103 100.00 100.00 8.87e-70 . . . . 17084 1 21 no PDB 1XYX . "Mouse Prion Protein Fragment 121-231" . . . . . 98.25 112 100.00 100.00 2.97e-77 . . . . 17084 1 22 no PDB 1Y15 . "Mouse Prion Protein With Mutation N174t" . . . . . 98.25 112 99.11 99.11 1.88e-76 . . . . 17084 1 23 no PDB 1Y16 . "Mouse Prion Protein With Mutations S170n And N174t" . . . . . 98.25 112 98.21 99.11 8.48e-76 . . . . 17084 1 24 no PDB 2K5O . "Mouse Prion Protein (121-231) With Mutation S170n" . . . . . 100.00 114 99.12 100.00 3.57e-78 . . . . 17084 1 25 no PDB 2KFM . "Mouse Prion Protein (121-231) With Mutations Y225a And Y226a" . . . . . 100.00 114 98.25 98.25 4.74e-77 . . . . 17084 1 26 no PDB 2KFO . "Mouse Prion Protein (121-231) With Mutation V166a" . . . . . 100.00 114 99.12 99.12 2.43e-78 . . . . 17084 1 27 no PDB 2KU5 . "Mouse Prion Protein (121-231) With Mutation D167s" . . . . . 99.12 113 99.12 99.12 3.42e-77 . . . . 17084 1 28 no PDB 2KU6 . "Mouse Prion Protein (121-231) With Mutations D167s And N173k" . . . . . 99.12 113 98.23 98.23 2.07e-76 . . . . 17084 1 29 no PDB 2L1D . "Mouse Prion Protein (121-231) Containing The Substitution Y169g" . . . . . 100.00 114 99.12 99.12 1.66e-77 . . . . 17084 1 30 no PDB 2L1E . "Mouse Prion Protein (121-231) Containing The Substitution F175a" . . . . . 100.00 114 99.12 99.12 1.04e-77 . . . . 17084 1 31 no PDB 2L1H . "Mouse Prion Protein Fragment 121-231 At 20 C" . . . . . 100.00 114 100.00 100.00 7.40e-79 . . . . 17084 1 32 no PDB 2L1K . "Mouse Prion Protein (121-231) Containing The Substitutions Y169a, Y225a, And Y226a" . . . . . 100.00 114 97.37 97.37 3.07e-76 . . . . 17084 1 33 no PDB 2L39 . "Mouse Prion Protein Fragment 121-231 At 37 C" . . . . . 100.00 114 100.00 100.00 7.40e-79 . . . . 17084 1 34 no PDB 2L40 . "Mouse Prion Protein (121-231) Containing The Substitution Y169a" . . . . . 100.00 114 99.12 99.12 5.64e-78 . . . . 17084 1 35 no PDB 4H88 . "Structure Of Pom1 Fab Fragment Complexed With Mouse Prpc Fragment 120- 230" . . . . . 97.37 111 99.10 99.10 6.46e-76 . . . . 17084 1 36 no PDB 4MA7 . "Crystal Structure Of Mouse Prion Protein Complexed With Promazine" . . . . . 98.25 114 99.11 100.00 2.60e-77 . . . . 17084 1 37 no PDB 4MA8 . "Crystal Structure Of Mouse Prion Protein Complexed With Chlorpromazine" . . . . . 98.25 114 99.11 100.00 2.60e-77 . . . . 17084 1 38 no DBJ BAA08790 . "prion protein [Rattus norvegicus]" . . . . . 100.00 254 98.25 100.00 3.42e-77 . . . . 17084 1 39 no DBJ BAE28320 . "unnamed protein product [Mus musculus]" . . . . . 100.00 254 98.25 100.00 2.82e-77 . . . . 17084 1 40 no DBJ BAE28693 . "unnamed protein product [Mus musculus]" . . . . . 100.00 254 98.25 99.12 7.82e-77 . . . . 17084 1 41 no DBJ BAE29994 . "unnamed protein product [Mus musculus]" . . . . . 100.00 254 98.25 99.12 1.11e-76 . . . . 17084 1 42 no DBJ BAE34221 . "unnamed protein product [Mus musculus]" . . . . . 100.00 254 99.12 100.00 1.52e-77 . . . . 17084 1 43 no EMBL CAJ18553 . "Prnp [Mus musculus]" . . . . . 100.00 254 99.12 100.00 1.53e-77 . . . . 17084 1 44 no GB AAA39996 . "prion protein [Mus musculus]" . . . . . 100.00 254 98.25 100.00 7.02e-77 . . . . 17084 1 45 no GB AAA39997 . "prion protein [Mus musculus]" . . . . . 100.00 254 99.12 100.00 1.53e-77 . . . . 17084 1 46 no GB AAA39998 . "prion protein [Mus musculus]" . . . . . 100.00 254 98.25 99.12 8.35e-77 . . . . 17084 1 47 no GB AAA41947 . "prion-related protein, partial [Rattus norvegicus]" . . . . . 100.00 226 98.25 100.00 8.41e-78 . . . . 17084 1 48 no GB AAB30728 . "prion protein [Rattus norvegicus]" . . . . . 100.00 254 98.25 100.00 3.42e-77 . . . . 17084 1 49 no REF NP_001265185 . "major prion protein precursor [Mus musculus]" . . . . . 100.00 254 99.12 100.00 1.53e-77 . . . . 17084 1 50 no REF NP_035300 . "major prion protein precursor [Mus musculus]" . . . . . 100.00 254 99.12 100.00 1.53e-77 . . . . 17084 1 51 no REF NP_036763 . "major prion protein precursor [Rattus norvegicus]" . . . . . 100.00 254 98.25 100.00 3.42e-77 . . . . 17084 1 52 no REF XP_006235124 . "PREDICTED: major prion protein isoform X1 [Rattus norvegicus]" . . . . . 100.00 254 98.25 100.00 3.42e-77 . . . . 17084 1 53 no REF XP_006984054 . "PREDICTED: major prion protein [Peromyscus maniculatus bairdii]" . . . . . 100.00 254 97.37 99.12 8.27e-76 . . . . 17084 1 54 no SP P04925 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" . . . . . 100.00 254 99.12 100.00 1.53e-77 . . . . 17084 1 55 no SP P13852 . "RecName: Full=Major prion protein; Short=PrP; AltName: CD_antigen=CD230; Flags: Precursor" . . . . . 100.00 254 98.25 100.00 3.42e-77 . . . . 17084 1 56 no SP Q9Z0T3 . "RecName: Full=Major prion protein; Short=PrP; AltName: CD_antigen=CD230; Flags: Precursor" . . . . . 100.00 254 98.25 100.00 5.83e-77 . . . . 17084 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 1 119 GLY . 17084 1 2 120 SER . 17084 1 3 121 VAL . 17084 1 4 122 VAL . 17084 1 5 123 GLY . 17084 1 6 124 GLY . 17084 1 7 125 LEU . 17084 1 8 126 GLY . 17084 1 9 127 GLY . 17084 1 10 128 TYR . 17084 1 11 129 MET . 17084 1 12 130 LEU . 17084 1 13 131 GLY . 17084 1 14 132 SER . 17084 1 15 133 ALA . 17084 1 16 134 MET . 17084 1 17 135 SER . 17084 1 18 136 ARG . 17084 1 19 137 PRO . 17084 1 20 138 MET . 17084 1 21 139 ILE . 17084 1 22 140 HIS . 17084 1 23 141 PHE . 17084 1 24 142 GLY . 17084 1 25 143 ASN . 17084 1 26 144 ASP . 17084 1 27 145 TRP . 17084 1 28 146 GLU . 17084 1 29 147 ASP . 17084 1 30 148 ARG . 17084 1 31 149 TYR . 17084 1 32 150 TYR . 17084 1 33 151 ARG . 17084 1 34 152 GLU . 17084 1 35 153 ASN . 17084 1 36 154 MET . 17084 1 37 155 TYR . 17084 1 38 156 ARG . 17084 1 39 157 TYR . 17084 1 40 158 PRO . 17084 1 41 159 ASN . 17084 1 42 160 GLN . 17084 1 43 161 VAL . 17084 1 44 162 TYR . 17084 1 45 163 TYR . 17084 1 46 164 ARG . 17084 1 47 165 PRO . 17084 1 48 166 VAL . 17084 1 49 167 ASP . 17084 1 50 168 GLN . 17084 1 51 169 TYR . 17084 1 52 170 SER . 17084 1 53 171 ASN . 17084 1 54 172 GLN . 17084 1 55 173 ASN . 17084 1 56 174 ASN . 17084 1 57 175 PHE . 17084 1 58 176 VAL . 17084 1 59 177 HIS . 17084 1 60 178 ASP . 17084 1 61 179 CYS . 17084 1 62 180 VAL . 17084 1 63 181 ASN . 17084 1 64 182 ILE . 17084 1 65 183 THR . 17084 1 66 184 ILE . 17084 1 67 185 LYS . 17084 1 68 186 GLN . 17084 1 69 187 HIS . 17084 1 70 188 THR . 17084 1 71 189 VAL . 17084 1 72 190 THR . 17084 1 73 191 THR . 17084 1 74 192 THR . 17084 1 75 193 THR . 17084 1 76 194 LYS . 17084 1 77 195 GLY . 17084 1 78 196 GLU . 17084 1 79 197 ASN . 17084 1 80 198 PHE . 17084 1 81 199 THR . 17084 1 82 200 GLU . 17084 1 83 201 THR . 17084 1 84 202 ASP . 17084 1 85 203 VAL . 17084 1 86 204 LYS . 17084 1 87 205 MET . 17084 1 88 206 MET . 17084 1 89 207 GLU . 17084 1 90 208 ARG . 17084 1 91 209 VAL . 17084 1 92 210 VAL . 17084 1 93 211 GLU . 17084 1 94 212 GLN . 17084 1 95 213 MET . 17084 1 96 214 CYS . 17084 1 97 215 VAL . 17084 1 98 216 THR . 17084 1 99 217 GLN . 17084 1 100 218 TYR . 17084 1 101 219 GLN . 17084 1 102 220 LYS . 17084 1 103 221 GLU . 17084 1 104 222 SER . 17084 1 105 223 GLN . 17084 1 106 224 ALA . 17084 1 107 225 TYR . 17084 1 108 226 TYR . 17084 1 109 227 ASP . 17084 1 110 228 GLY . 17084 1 111 229 ARG . 17084 1 112 230 ARG . 17084 1 113 231 SER . 17084 1 114 232 SER . 17084 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 17084 1 . SER 2 2 17084 1 . VAL 3 3 17084 1 . VAL 4 4 17084 1 . GLY 5 5 17084 1 . GLY 6 6 17084 1 . LEU 7 7 17084 1 . GLY 8 8 17084 1 . GLY 9 9 17084 1 . TYR 10 10 17084 1 . MET 11 11 17084 1 . LEU 12 12 17084 1 . GLY 13 13 17084 1 . SER 14 14 17084 1 . ALA 15 15 17084 1 . MET 16 16 17084 1 . SER 17 17 17084 1 . ARG 18 18 17084 1 . PRO 19 19 17084 1 . MET 20 20 17084 1 . ILE 21 21 17084 1 . HIS 22 22 17084 1 . PHE 23 23 17084 1 . GLY 24 24 17084 1 . ASN 25 25 17084 1 . ASP 26 26 17084 1 . TRP 27 27 17084 1 . GLU 28 28 17084 1 . ASP 29 29 17084 1 . ARG 30 30 17084 1 . TYR 31 31 17084 1 . TYR 32 32 17084 1 . ARG 33 33 17084 1 . GLU 34 34 17084 1 . ASN 35 35 17084 1 . MET 36 36 17084 1 . TYR 37 37 17084 1 . ARG 38 38 17084 1 . TYR 39 39 17084 1 . PRO 40 40 17084 1 . ASN 41 41 17084 1 . GLN 42 42 17084 1 . VAL 43 43 17084 1 . TYR 44 44 17084 1 . TYR 45 45 17084 1 . ARG 46 46 17084 1 . PRO 47 47 17084 1 . VAL 48 48 17084 1 . ASP 49 49 17084 1 . GLN 50 50 17084 1 . TYR 51 51 17084 1 . SER 52 52 17084 1 . ASN 53 53 17084 1 . GLN 54 54 17084 1 . ASN 55 55 17084 1 . ASN 56 56 17084 1 . PHE 57 57 17084 1 . VAL 58 58 17084 1 . HIS 59 59 17084 1 . ASP 60 60 17084 1 . CYS 61 61 17084 1 . VAL 62 62 17084 1 . ASN 63 63 17084 1 . ILE 64 64 17084 1 . THR 65 65 17084 1 . ILE 66 66 17084 1 . LYS 67 67 17084 1 . GLN 68 68 17084 1 . HIS 69 69 17084 1 . THR 70 70 17084 1 . VAL 71 71 17084 1 . THR 72 72 17084 1 . THR 73 73 17084 1 . THR 74 74 17084 1 . THR 75 75 17084 1 . LYS 76 76 17084 1 . GLY 77 77 17084 1 . GLU 78 78 17084 1 . ASN 79 79 17084 1 . PHE 80 80 17084 1 . THR 81 81 17084 1 . GLU 82 82 17084 1 . THR 83 83 17084 1 . ASP 84 84 17084 1 . VAL 85 85 17084 1 . LYS 86 86 17084 1 . MET 87 87 17084 1 . MET 88 88 17084 1 . GLU 89 89 17084 1 . ARG 90 90 17084 1 . VAL 91 91 17084 1 . VAL 92 92 17084 1 . GLU 93 93 17084 1 . GLN 94 94 17084 1 . MET 95 95 17084 1 . CYS 96 96 17084 1 . VAL 97 97 17084 1 . THR 98 98 17084 1 . GLN 99 99 17084 1 . TYR 100 100 17084 1 . GLN 101 101 17084 1 . LYS 102 102 17084 1 . GLU 103 103 17084 1 . SER 104 104 17084 1 . GLN 105 105 17084 1 . ALA 106 106 17084 1 . TYR 107 107 17084 1 . TYR 108 108 17084 1 . ASP 109 109 17084 1 . GLY 110 110 17084 1 . ARG 111 111 17084 1 . ARG 112 112 17084 1 . SER 113 113 17084 1 . SER 114 114 17084 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 17084 _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 $prion . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 17084 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 17084 _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 $prion . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pRSETA . . . . . . 17084 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17084 _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 prion '[U-99% 13C; U-99% 15N]' . . 1 $prion . . 1.0 . . mM . . . . 17084 1 2 'sodium acetate' [U-2H] . . . . . . 10 . . mM . . . . 17084 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 17084 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17084 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17084 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 17084 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.01 . M 17084 1 pH 4.5 . pH 17084 1 pressure 1 . atm 17084 1 temperature 293.2 . K 17084 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 17084 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17084 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17084 1 processing 17084 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17084 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . www.nmr.ch 17084 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17084 2 'data analysis' 17084 2 stop_ save_ save_ATNOS-CANDID _Software.Sf_category software _Software.Sf_framecode ATNOS-CANDID _Software.Entry_ID 17084 _Software.ID 3 _Software.Name ATHNOS-CANDID _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 17084 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17084 3 'peak picking' 17084 3 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 17084 _Software.ID 4 _Software.Name DYANA _Software.Version 1.0.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17084 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17084 4 stop_ save_ save_OPALP _Software.Sf_category software _Software.Sf_framecode OPALP _Software.Entry_ID 17084 _Software.ID 5 _Software.Name OPALP _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 17084 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17084 5 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 17084 _Software.ID 6 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 17084 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17084 6 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 17084 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17084 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17084 _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 DRX . 750 . . . 17084 1 2 spectrometer_2 Bruker Avance . 900 . . . 17084 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 17084 _Experiment_list.ID 1 _Experiment_list.Details 'Two 13C-resolved NOESYs were measured, one with the 13C carrier centered in the aliphatic region and one with the 13C carrier centered in the aromatic region.' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17084 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17084 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17084 _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 internal indirect 0.251449530 . . . . . . . . . 17084 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0000 . . . . . . . . . 17084 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 17084 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 17084 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details '13C aromatic chemical shifts were assigned using the 13C-resolved NOESY that was measured with the 13C carrier centered in the aromatic region.' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 17084 1 2 '3D 1H-13C NOESY' . . . 17084 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 1 1 GLY CA C 13 43.047 0.3 . 1 . . . . 119 GLY CA . 17084 1 2 . 1 1 2 2 SER HA H 1 4.601 0.020 . 1 . . . . 120 SER HA . 17084 1 3 . 1 1 2 2 SER CA C 13 57.846 0.3 . 1 . . . . 120 SER CA . 17084 1 4 . 1 1 2 2 SER CB C 13 63.986 0.3 . 1 . . . . 120 SER CB . 17084 1 5 . 1 1 2 2 SER N N 15 115.859 0.3 . 1 . . . . 120 SER N . 17084 1 6 . 1 1 3 3 VAL HA H 1 4.180 0.020 . 1 . . . . 121 VAL HA . 17084 1 7 . 1 1 3 3 VAL HB H 1 2.046 0.020 . 1 . . . . 121 VAL HB . 17084 1 8 . 1 1 3 3 VAL CA C 13 62.172 0.3 . 1 . . . . 121 VAL CA . 17084 1 9 . 1 1 3 3 VAL CB C 13 32.715 0.3 . 1 . . . . 121 VAL CB . 17084 1 10 . 1 1 3 3 VAL CG1 C 13 20.537 0.3 . 1 . . . . 121 VAL CG1 . 17084 1 11 . 1 1 3 3 VAL CG2 C 13 21.066 0.3 . 1 . . . . 121 VAL CG2 . 17084 1 12 . 1 1 3 3 VAL N N 15 122.384 0.3 . 1 . . . . 121 VAL N . 17084 1 13 . 1 1 4 4 VAL HA H 1 4.088 0.020 . 1 . . . . 122 VAL HA . 17084 1 14 . 1 1 4 4 VAL HB H 1 2.028 0.020 . 1 . . . . 122 VAL HB . 17084 1 15 . 1 1 4 4 VAL CA C 13 62.339 0.3 . 1 . . . . 122 VAL CA . 17084 1 16 . 1 1 4 4 VAL CB C 13 32.507 0.3 . 1 . . . . 122 VAL CB . 17084 1 17 . 1 1 4 4 VAL CG1 C 13 20.789 0.3 . 1 . . . . 122 VAL CG1 . 17084 1 18 . 1 1 4 4 VAL CG2 C 13 21.126 0.3 . 1 . . . . 122 VAL CG2 . 17084 1 19 . 1 1 4 4 VAL N N 15 125.186 0.3 . 1 . . . . 122 VAL N . 17084 1 20 . 1 1 5 5 GLY CA C 13 45.241 0.3 . 1 . . . . 123 GLY CA . 17084 1 21 . 1 1 5 5 GLY N N 15 113.700 0.3 . 1 . . . . 123 GLY N . 17084 1 22 . 1 1 6 6 GLY CA C 13 45.192 0.3 . 1 . . . . 124 GLY CA . 17084 1 23 . 1 1 6 6 GLY N N 15 108.811 0.3 . 1 . . . . 124 GLY N . 17084 1 24 . 1 1 7 7 LEU HA H 1 4.370 0.020 . 1 . . . . 125 LEU HA . 17084 1 25 . 1 1 7 7 LEU HB2 H 1 1.515 0.020 . 2 . . . . 125 LEU HB2 . 17084 1 26 . 1 1 7 7 LEU HB3 H 1 1.622 0.020 . 2 . . . . 125 LEU HB3 . 17084 1 27 . 1 1 7 7 LEU HG H 1 1.482 0.020 . 1 . . . . 125 LEU HG . 17084 1 28 . 1 1 7 7 LEU CA C 13 54.617 0.3 . 1 . . . . 125 LEU CA . 17084 1 29 . 1 1 7 7 LEU CB C 13 42.376 0.3 . 1 . . . . 125 LEU CB . 17084 1 30 . 1 1 7 7 LEU CD1 C 13 24.439 0.3 . 1 . . . . 125 LEU CD1 . 17084 1 31 . 1 1 7 7 LEU CD2 C 13 23.345 0.3 . 1 . . . . 125 LEU CD2 . 17084 1 32 . 1 1 7 7 LEU CG C 13 26.900 0.3 . 1 . . . . 125 LEU CG . 17084 1 33 . 1 1 7 7 LEU N N 15 121.900 0.3 . 1 . . . . 125 LEU N . 17084 1 34 . 1 1 8 8 GLY HA2 H 1 3.909 0.020 . 1 . . . . 126 GLY HA2 . 17084 1 35 . 1 1 8 8 GLY CA C 13 46.265 0.3 . 1 . . . . 126 GLY CA . 17084 1 36 . 1 1 8 8 GLY N N 15 110.089 0.3 . 1 . . . . 126 GLY N . 17084 1 37 . 1 1 9 9 GLY HA2 H 1 3.928 0.020 . 1 . . . . 127 GLY HA2 . 17084 1 38 . 1 1 9 9 GLY CA C 13 44.979 0.3 . 1 . . . . 127 GLY CA . 17084 1 39 . 1 1 9 9 GLY N N 15 109.411 0.3 . 1 . . . . 127 GLY N . 17084 1 40 . 1 1 10 10 TYR HA H 1 4.430 0.020 . 1 . . . . 128 TYR HA . 17084 1 41 . 1 1 10 10 TYR HB2 H 1 2.923 0.020 . 2 . . . . 128 TYR HB2 . 17084 1 42 . 1 1 10 10 TYR HB3 H 1 2.820 0.020 . 2 . . . . 128 TYR HB3 . 17084 1 43 . 1 1 10 10 TYR CA C 13 57.868 0.3 . 1 . . . . 128 TYR CA . 17084 1 44 . 1 1 10 10 TYR CB C 13 40.233 0.3 . 1 . . . . 128 TYR CB . 17084 1 45 . 1 1 10 10 TYR CD1 C 13 132.707 0.3 . 1 . . . . 128 TYR CD1 . 17084 1 46 . 1 1 10 10 TYR CE1 C 13 118.037 0.3 . 1 . . . . 128 TYR CE1 . 17084 1 47 . 1 1 10 10 TYR N N 15 117.829 0.3 . 1 . . . . 128 TYR N . 17084 1 48 . 1 1 11 11 MET HA H 1 4.521 0.020 . 1 . . . . 129 MET HA . 17084 1 49 . 1 1 11 11 MET HB2 H 1 0.957 0.020 . 2 . . . . 129 MET HB2 . 17084 1 50 . 1 1 11 11 MET HB3 H 1 1.566 0.020 . 2 . . . . 129 MET HB3 . 17084 1 51 . 1 1 11 11 MET CA C 13 53.478 0.3 . 1 . . . . 129 MET CA . 17084 1 52 . 1 1 11 11 MET CB C 13 34.470 0.3 . 1 . . . . 129 MET CB . 17084 1 53 . 1 1 11 11 MET CE C 13 17.105 0.3 . 1 . . . . 129 MET CE . 17084 1 54 . 1 1 11 11 MET CG C 13 32.008 0.3 . 1 . . . . 129 MET CG . 17084 1 55 . 1 1 11 11 MET N N 15 121.285 0.3 . 1 . . . . 129 MET N . 17084 1 56 . 1 1 12 12 LEU HA H 1 4.466 0.020 . 1 . . . . 130 LEU HA . 17084 1 57 . 1 1 12 12 LEU HB2 H 1 0.931 0.020 . 2 . . . . 130 LEU HB2 . 17084 1 58 . 1 1 12 12 LEU HB3 H 1 1.596 0.020 . 2 . . . . 130 LEU HB3 . 17084 1 59 . 1 1 12 12 LEU HG H 1 1.370 0.020 . 1 . . . . 130 LEU HG . 17084 1 60 . 1 1 12 12 LEU CA C 13 53.159 0.3 . 1 . . . . 130 LEU CA . 17084 1 61 . 1 1 12 12 LEU CB C 13 43.525 0.3 . 1 . . . . 130 LEU CB . 17084 1 62 . 1 1 12 12 LEU CD1 C 13 21.422 0.3 . 1 . . . . 130 LEU CD1 . 17084 1 63 . 1 1 12 12 LEU CD2 C 13 25.613 0.3 . 1 . . . . 130 LEU CD2 . 17084 1 64 . 1 1 12 12 LEU CG C 13 25.886 0.3 . 1 . . . . 130 LEU CG . 17084 1 65 . 1 1 12 12 LEU N N 15 121.309 0.3 . 1 . . . . 130 LEU N . 17084 1 66 . 1 1 13 13 GLY HA2 H 1 4.424 0.020 . 1 . . . . 131 GLY HA2 . 17084 1 67 . 1 1 13 13 GLY CA C 13 44.841 0.3 . 1 . . . . 131 GLY CA . 17084 1 68 . 1 1 13 13 GLY N N 15 115.348 0.3 . 1 . . . . 131 GLY N . 17084 1 69 . 1 1 14 14 SER HA H 1 4.388 0.020 . 1 . . . . 132 SER HA . 17084 1 70 . 1 1 14 14 SER HB2 H 1 3.966 0.020 . 2 . . . . 132 SER HB2 . 17084 1 71 . 1 1 14 14 SER HB3 H 1 3.896 0.020 . 2 . . . . 132 SER HB3 . 17084 1 72 . 1 1 14 14 SER CA C 13 58.325 0.3 . 1 . . . . 132 SER CA . 17084 1 73 . 1 1 14 14 SER CB C 13 63.802 0.3 . 1 . . . . 132 SER CB . 17084 1 74 . 1 1 14 14 SER N N 15 113.720 0.3 . 1 . . . . 132 SER N . 17084 1 75 . 1 1 15 15 ALA HA H 1 4.421 0.020 . 1 . . . . 133 ALA HA . 17084 1 76 . 1 1 15 15 ALA CA C 13 52.804 0.3 . 1 . . . . 133 ALA CA . 17084 1 77 . 1 1 15 15 ALA CB C 13 18.253 0.3 . 1 . . . . 133 ALA CB . 17084 1 78 . 1 1 15 15 ALA N N 15 125.596 0.3 . 1 . . . . 133 ALA N . 17084 1 79 . 1 1 16 16 MET HA H 1 4.739 0.020 . 1 . . . . 134 MET HA . 17084 1 80 . 1 1 16 16 MET HB2 H 1 2.042 0.020 . 2 . . . . 134 MET HB2 . 17084 1 81 . 1 1 16 16 MET HB3 H 1 1.979 0.020 . 2 . . . . 134 MET HB3 . 17084 1 82 . 1 1 16 16 MET HG2 H 1 2.529 0.020 . 2 . . . . 134 MET HG2 . 17084 1 83 . 1 1 16 16 MET HG3 H 1 2.435 0.020 . 2 . . . . 134 MET HG3 . 17084 1 84 . 1 1 16 16 MET CA C 13 53.743 0.3 . 1 . . . . 134 MET CA . 17084 1 85 . 1 1 16 16 MET CB C 13 36.759 0.3 . 1 . . . . 134 MET CB . 17084 1 86 . 1 1 16 16 MET CE C 13 17.828 0.3 . 1 . . . . 134 MET CE . 17084 1 87 . 1 1 16 16 MET CG C 13 31.457 0.3 . 1 . . . . 134 MET CG . 17084 1 88 . 1 1 16 16 MET N N 15 121.596 0.3 . 1 . . . . 134 MET N . 17084 1 89 . 1 1 17 17 SER HA H 1 4.326 0.020 . 1 . . . . 135 SER HA . 17084 1 90 . 1 1 17 17 SER HB2 H 1 3.817 0.020 . 2 . . . . 135 SER HB2 . 17084 1 91 . 1 1 17 17 SER HB3 H 1 3.730 0.020 . 2 . . . . 135 SER HB3 . 17084 1 92 . 1 1 17 17 SER CA C 13 58.489 0.3 . 1 . . . . 135 SER CA . 17084 1 93 . 1 1 17 17 SER CB C 13 62.855 0.3 . 1 . . . . 135 SER CB . 17084 1 94 . 1 1 17 17 SER N N 15 116.183 0.3 . 1 . . . . 135 SER N . 17084 1 95 . 1 1 18 18 ARG HA H 1 4.374 0.020 . 1 . . . . 136 ARG HA . 17084 1 96 . 1 1 18 18 ARG HB2 H 1 1.842 0.020 . 2 . . . . 136 ARG HB2 . 17084 1 97 . 1 1 18 18 ARG HB3 H 1 1.793 0.020 . 2 . . . . 136 ARG HB3 . 17084 1 98 . 1 1 18 18 ARG HD2 H 1 3.060 0.020 . 2 . . . . 136 ARG HD2 . 17084 1 99 . 1 1 18 18 ARG HD3 H 1 2.937 0.020 . 2 . . . . 136 ARG HD3 . 17084 1 100 . 1 1 18 18 ARG HE H 1 6.844 0.020 . 1 . . . . 136 ARG HE . 17084 1 101 . 1 1 18 18 ARG HG2 H 1 1.595 0.020 . 2 . . . . 136 ARG HG2 . 17084 1 102 . 1 1 18 18 ARG HG3 H 1 1.689 0.020 . 2 . . . . 136 ARG HG3 . 17084 1 103 . 1 1 18 18 ARG CA C 13 54.718 0.3 . 1 . . . . 136 ARG CA . 17084 1 104 . 1 1 18 18 ARG CB C 13 28.810 0.3 . 1 . . . . 136 ARG CB . 17084 1 105 . 1 1 18 18 ARG CD C 13 43.778 0.3 . 1 . . . . 136 ARG CD . 17084 1 106 . 1 1 18 18 ARG CG C 13 29.284 0.3 . 1 . . . . 136 ARG CG . 17084 1 107 . 1 1 18 18 ARG N N 15 126.641 0.3 . 1 . . . . 136 ARG N . 17084 1 108 . 1 1 18 18 ARG NE N 15 85.738 0.3 . 1 . . . . 136 ARG NE . 17084 1 109 . 1 1 19 19 PRO HA H 1 4.404 0.020 . 1 . . . . 137 PRO HA . 17084 1 110 . 1 1 19 19 PRO HB2 H 1 1.766 0.020 . 2 . . . . 137 PRO HB2 . 17084 1 111 . 1 1 19 19 PRO HB3 H 1 2.236 0.020 . 2 . . . . 137 PRO HB3 . 17084 1 112 . 1 1 19 19 PRO HD2 H 1 3.637 0.020 . 2 . . . . 137 PRO HD2 . 17084 1 113 . 1 1 19 19 PRO HD3 H 1 3.917 0.020 . 2 . . . . 137 PRO HD3 . 17084 1 114 . 1 1 19 19 PRO HG2 H 1 1.998 0.020 . 2 . . . . 137 PRO HG2 . 17084 1 115 . 1 1 19 19 PRO HG3 H 1 2.029 0.020 . 2 . . . . 137 PRO HG3 . 17084 1 116 . 1 1 19 19 PRO CA C 13 62.202 0.3 . 1 . . . . 137 PRO CA . 17084 1 117 . 1 1 19 19 PRO CB C 13 32.284 0.3 . 1 . . . . 137 PRO CB . 17084 1 118 . 1 1 19 19 PRO CD C 13 50.581 0.3 . 1 . . . . 137 PRO CD . 17084 1 119 . 1 1 19 19 PRO CG C 13 27.325 0.3 . 1 . . . . 137 PRO CG . 17084 1 120 . 1 1 20 20 MET HA H 1 4.877 0.020 . 1 . . . . 138 MET HA . 17084 1 121 . 1 1 20 20 MET HB2 H 1 2.016 0.020 . 2 . . . . 138 MET HB2 . 17084 1 122 . 1 1 20 20 MET HB3 H 1 1.977 0.020 . 2 . . . . 138 MET HB3 . 17084 1 123 . 1 1 20 20 MET HG2 H 1 2.690 0.020 . 2 . . . . 138 MET HG2 . 17084 1 124 . 1 1 20 20 MET HG3 H 1 2.313 0.020 . 2 . . . . 138 MET HG3 . 17084 1 125 . 1 1 20 20 MET CA C 13 53.887 0.3 . 1 . . . . 138 MET CA . 17084 1 126 . 1 1 20 20 MET CB C 13 30.059 0.3 . 1 . . . . 138 MET CB . 17084 1 127 . 1 1 20 20 MET CE C 13 16.361 0.3 . 1 . . . . 138 MET CE . 17084 1 128 . 1 1 20 20 MET CG C 13 31.775 0.3 . 1 . . . . 138 MET CG . 17084 1 129 . 1 1 20 20 MET N N 15 122.234 0.3 . 1 . . . . 138 MET N . 17084 1 130 . 1 1 21 21 ILE HA H 1 3.816 0.020 . 1 . . . . 139 ILE HA . 17084 1 131 . 1 1 21 21 ILE HB H 1 0.786 0.020 . 1 . . . . 139 ILE HB . 17084 1 132 . 1 1 21 21 ILE HG12 H 1 0.875 0.020 . 2 . . . . 139 ILE HG12 . 17084 1 133 . 1 1 21 21 ILE HG13 H 1 0.734 0.020 . 2 . . . . 139 ILE HG13 . 17084 1 134 . 1 1 21 21 ILE CA C 13 59.294 0.3 . 1 . . . . 139 ILE CA . 17084 1 135 . 1 1 21 21 ILE CB C 13 38.830 0.3 . 1 . . . . 139 ILE CB . 17084 1 136 . 1 1 21 21 ILE CD1 C 13 12.275 0.3 . 1 . . . . 139 ILE CD1 . 17084 1 137 . 1 1 21 21 ILE CG1 C 13 26.585 0.3 . 1 . . . . 139 ILE CG1 . 17084 1 138 . 1 1 21 21 ILE CG2 C 13 17.193 0.3 . 1 . . . . 139 ILE CG2 . 17084 1 139 . 1 1 21 21 ILE N N 15 124.738 0.3 . 1 . . . . 139 ILE N . 17084 1 140 . 1 1 22 22 HIS HA H 1 4.910 0.020 . 1 . . . . 140 HIS HA . 17084 1 141 . 1 1 22 22 HIS HB2 H 1 3.293 0.020 . 2 . . . . 140 HIS HB2 . 17084 1 142 . 1 1 22 22 HIS HB3 H 1 2.939 0.020 . 2 . . . . 140 HIS HB3 . 17084 1 143 . 1 1 22 22 HIS HD2 H 1 7.220 0.020 . 1 . . . . 140 HIS HD2 . 17084 1 144 . 1 1 22 22 HIS HE1 H 1 8.577 0.020 . 1 . . . . 140 HIS HE1 . 17084 1 145 . 1 1 22 22 HIS CA C 13 53.928 0.3 . 1 . . . . 140 HIS CA . 17084 1 146 . 1 1 22 22 HIS CB C 13 29.467 0.3 . 1 . . . . 140 HIS CB . 17084 1 147 . 1 1 22 22 HIS CD2 C 13 119.690 0.3 . 1 . . . . 140 HIS CD2 . 17084 1 148 . 1 1 22 22 HIS CE1 C 13 136.088 0.3 . 1 . . . . 140 HIS CE1 . 17084 1 149 . 1 1 22 22 HIS N N 15 121.950 0.3 . 1 . . . . 140 HIS N . 17084 1 150 . 1 1 23 23 PHE HA H 1 4.258 0.020 . 1 . . . . 141 PHE HA . 17084 1 151 . 1 1 23 23 PHE HB2 H 1 2.785 0.020 . 2 . . . . 141 PHE HB2 . 17084 1 152 . 1 1 23 23 PHE HB3 H 1 3.311 0.020 . 2 . . . . 141 PHE HB3 . 17084 1 153 . 1 1 23 23 PHE HZ H 1 6.766 0.020 . 1 . . . . 141 PHE HZ . 17084 1 154 . 1 1 23 23 PHE CA C 13 59.466 0.3 . 1 . . . . 141 PHE CA . 17084 1 155 . 1 1 23 23 PHE CB C 13 40.872 0.3 . 1 . . . . 141 PHE CB . 17084 1 156 . 1 1 23 23 PHE CD1 C 13 131.998 0.3 . 1 . . . . 141 PHE CD1 . 17084 1 157 . 1 1 23 23 PHE CE1 C 13 130.773 0.3 . 1 . . . . 141 PHE CE1 . 17084 1 158 . 1 1 23 23 PHE CZ C 13 128.970 0.3 . 1 . . . . 141 PHE CZ . 17084 1 159 . 1 1 23 23 PHE N N 15 124.770 0.3 . 1 . . . . 141 PHE N . 17084 1 160 . 1 1 24 24 GLY HA2 H 1 4.109 0.020 . 1 . . . . 142 GLY HA2 . 17084 1 161 . 1 1 24 24 GLY CA C 13 45.508 0.3 . 1 . . . . 142 GLY CA . 17084 1 162 . 1 1 24 24 GLY N N 15 109.161 0.3 . 1 . . . . 142 GLY N . 17084 1 163 . 1 1 25 25 ASN HA H 1 4.879 0.020 . 1 . . . . 143 ASN HA . 17084 1 164 . 1 1 25 25 ASN HB2 H 1 2.715 0.020 . 2 . . . . 143 ASN HB2 . 17084 1 165 . 1 1 25 25 ASN HB3 H 1 2.667 0.020 . 2 . . . . 143 ASN HB3 . 17084 1 166 . 1 1 25 25 ASN HD21 H 1 7.581 0.020 . 1 . . . . 143 ASN HD21 . 17084 1 167 . 1 1 25 25 ASN HD22 H 1 7.471 0.020 . 1 . . . . 143 ASN HD22 . 17084 1 168 . 1 1 25 25 ASN CA C 13 52.382 0.3 . 1 . . . . 143 ASN CA . 17084 1 169 . 1 1 25 25 ASN CB C 13 41.436 0.3 . 1 . . . . 143 ASN CB . 17084 1 170 . 1 1 25 25 ASN N N 15 114.478 0.3 . 1 . . . . 143 ASN N . 17084 1 171 . 1 1 25 25 ASN ND2 N 15 116.150 0.3 . 1 . . . . 143 ASN ND2 . 17084 1 172 . 1 1 26 26 ASP HA H 1 4.425 0.020 . 1 . . . . 144 ASP HA . 17084 1 173 . 1 1 26 26 ASP CA C 13 57.743 0.3 . 1 . . . . 144 ASP CA . 17084 1 174 . 1 1 26 26 ASP CB C 13 41.003 0.3 . 1 . . . . 144 ASP CB . 17084 1 175 . 1 1 26 26 ASP N N 15 123.468 0.3 . 1 . . . . 144 ASP N . 17084 1 176 . 1 1 27 27 TRP HA H 1 4.229 0.020 . 1 . . . . 145 TRP HA . 17084 1 177 . 1 1 27 27 TRP HD1 H 1 7.326 0.020 . 1 . . . . 145 TRP HD1 . 17084 1 178 . 1 1 27 27 TRP HE1 H 1 10.237 0.020 . 1 . . . . 145 TRP HE1 . 17084 1 179 . 1 1 27 27 TRP HE3 H 1 7.352 0.020 . 1 . . . . 145 TRP HE3 . 17084 1 180 . 1 1 27 27 TRP HH2 H 1 6.893 0.020 . 1 . . . . 145 TRP HH2 . 17084 1 181 . 1 1 27 27 TRP HZ2 H 1 7.425 0.020 . 1 . . . . 145 TRP HZ2 . 17084 1 182 . 1 1 27 27 TRP HZ3 H 1 6.716 0.020 . 1 . . . . 145 TRP HZ3 . 17084 1 183 . 1 1 27 27 TRP CA C 13 61.683 0.3 . 1 . . . . 145 TRP CA . 17084 1 184 . 1 1 27 27 TRP CB C 13 28.243 0.3 . 1 . . . . 145 TRP CB . 17084 1 185 . 1 1 27 27 TRP CD1 C 13 127.337 0.3 . 1 . . . . 145 TRP CD1 . 17084 1 186 . 1 1 27 27 TRP CE3 C 13 120.374 0.3 . 1 . . . . 145 TRP CE3 . 17084 1 187 . 1 1 27 27 TRP CH2 C 13 124.812 0.3 . 1 . . . . 145 TRP CH2 . 17084 1 188 . 1 1 27 27 TRP CZ2 C 13 114.485 0.3 . 1 . . . . 145 TRP CZ2 . 17084 1 189 . 1 1 27 27 TRP CZ3 C 13 121.146 0.3 . 1 . . . . 145 TRP CZ3 . 17084 1 190 . 1 1 27 27 TRP N N 15 120.649 0.3 . 1 . . . . 145 TRP N . 17084 1 191 . 1 1 27 27 TRP NE1 N 15 129.719 0.3 . 1 . . . . 145 TRP NE1 . 17084 1 192 . 1 1 28 28 GLU HA H 1 3.441 0.020 . 1 . . . . 146 GLU HA . 17084 1 193 . 1 1 28 28 GLU HB2 H 1 1.844 0.020 . 2 . . . . 146 GLU HB2 . 17084 1 194 . 1 1 28 28 GLU HB3 H 1 1.255 0.020 . 2 . . . . 146 GLU HB3 . 17084 1 195 . 1 1 28 28 GLU HG2 H 1 2.111 0.020 . 2 . . . . 146 GLU HG2 . 17084 1 196 . 1 1 28 28 GLU HG3 H 1 1.567 0.020 . 2 . . . . 146 GLU HG3 . 17084 1 197 . 1 1 28 28 GLU CA C 13 59.823 0.3 . 1 . . . . 146 GLU CA . 17084 1 198 . 1 1 28 28 GLU CB C 13 29.540 0.3 . 1 . . . . 146 GLU CB . 17084 1 199 . 1 1 28 28 GLU CG C 13 37.423 0.3 . 1 . . . . 146 GLU CG . 17084 1 200 . 1 1 28 28 GLU N N 15 120.494 0.3 . 1 . . . . 146 GLU N . 17084 1 201 . 1 1 29 29 ASP HA H 1 4.659 0.020 . 1 . . . . 147 ASP HA . 17084 1 202 . 1 1 29 29 ASP HB2 H 1 2.820 0.020 . 2 . . . . 147 ASP HB2 . 17084 1 203 . 1 1 29 29 ASP HB3 H 1 2.925 0.020 . 2 . . . . 147 ASP HB3 . 17084 1 204 . 1 1 29 29 ASP CA C 13 58.441 0.3 . 1 . . . . 147 ASP CA . 17084 1 205 . 1 1 29 29 ASP CB C 13 40.384 0.3 . 1 . . . . 147 ASP CB . 17084 1 206 . 1 1 29 29 ASP N N 15 119.138 0.3 . 1 . . . . 147 ASP N . 17084 1 207 . 1 1 30 30 ARG HA H 1 3.966 0.020 . 1 . . . . 148 ARG HA . 17084 1 208 . 1 1 30 30 ARG HD2 H 1 3.203 0.020 . 2 . . . . 148 ARG HD2 . 17084 1 209 . 1 1 30 30 ARG HD3 H 1 3.173 0.020 . 2 . . . . 148 ARG HD3 . 17084 1 210 . 1 1 30 30 ARG HE H 1 7.455 0.020 . 1 . . . . 148 ARG HE . 17084 1 211 . 1 1 30 30 ARG HG2 H 1 1.712 0.020 . 2 . . . . 148 ARG HG2 . 17084 1 212 . 1 1 30 30 ARG HG3 H 1 1.479 0.020 . 2 . . . . 148 ARG HG3 . 17084 1 213 . 1 1 30 30 ARG CA C 13 59.467 0.3 . 1 . . . . 148 ARG CA . 17084 1 214 . 1 1 30 30 ARG CB C 13 29.791 0.3 . 1 . . . . 148 ARG CB . 17084 1 215 . 1 1 30 30 ARG CD C 13 43.311 0.3 . 1 . . . . 148 ARG CD . 17084 1 216 . 1 1 30 30 ARG CG C 13 27.638 0.3 . 1 . . . . 148 ARG CG . 17084 1 217 . 1 1 30 30 ARG N N 15 120.086 0.3 . 1 . . . . 148 ARG N . 17084 1 218 . 1 1 30 30 ARG NE N 15 85.302 0.3 . 1 . . . . 148 ARG NE . 17084 1 219 . 1 1 31 31 TYR HA H 1 3.743 0.020 . 1 . . . . 149 TYR HA . 17084 1 220 . 1 1 31 31 TYR HB2 H 1 2.690 0.020 . 2 . . . . 149 TYR HB2 . 17084 1 221 . 1 1 31 31 TYR HB3 H 1 2.315 0.020 . 2 . . . . 149 TYR HB3 . 17084 1 222 . 1 1 31 31 TYR CA C 13 62.067 0.3 . 1 . . . . 149 TYR CA . 17084 1 223 . 1 1 31 31 TYR CB C 13 38.116 0.3 . 1 . . . . 149 TYR CB . 17084 1 224 . 1 1 31 31 TYR CD1 C 13 133.485 0.3 . 1 . . . . 149 TYR CD1 . 17084 1 225 . 1 1 31 31 TYR CE1 C 13 117.753 0.3 . 1 . . . . 149 TYR CE1 . 17084 1 226 . 1 1 31 31 TYR N N 15 121.005 0.3 . 1 . . . . 149 TYR N . 17084 1 227 . 1 1 32 32 TYR HA H 1 4.086 0.020 . 1 . . . . 150 TYR HA . 17084 1 228 . 1 1 32 32 TYR HB2 H 1 3.580 0.020 . 2 . . . . 150 TYR HB2 . 17084 1 229 . 1 1 32 32 TYR HB3 H 1 3.198 0.020 . 2 . . . . 150 TYR HB3 . 17084 1 230 . 1 1 32 32 TYR CA C 13 63.113 0.3 . 1 . . . . 150 TYR CA . 17084 1 231 . 1 1 32 32 TYR CB C 13 38.393 0.3 . 1 . . . . 150 TYR CB . 17084 1 232 . 1 1 32 32 TYR CD1 C 13 133.437 0.3 . 1 . . . . 150 TYR CD1 . 17084 1 233 . 1 1 32 32 TYR CE1 C 13 118.216 0.3 . 1 . . . . 150 TYR CE1 . 17084 1 234 . 1 1 32 32 TYR N N 15 120.485 0.3 . 1 . . . . 150 TYR N . 17084 1 235 . 1 1 33 33 ARG HA H 1 3.869 0.020 . 1 . . . . 151 ARG HA . 17084 1 236 . 1 1 33 33 ARG HB2 H 1 1.951 0.020 . 2 . . . . 151 ARG HB2 . 17084 1 237 . 1 1 33 33 ARG HB3 H 1 2.026 0.020 . 2 . . . . 151 ARG HB3 . 17084 1 238 . 1 1 33 33 ARG HD2 H 1 3.349 0.020 . 2 . . . . 151 ARG HD2 . 17084 1 239 . 1 1 33 33 ARG HD3 H 1 3.270 0.020 . 2 . . . . 151 ARG HD3 . 17084 1 240 . 1 1 33 33 ARG HE H 1 7.482 0.020 . 1 . . . . 151 ARG HE . 17084 1 241 . 1 1 33 33 ARG HG2 H 1 1.996 0.020 . 2 . . . . 151 ARG HG2 . 17084 1 242 . 1 1 33 33 ARG HG3 H 1 1.751 0.020 . 2 . . . . 151 ARG HG3 . 17084 1 243 . 1 1 33 33 ARG CA C 13 59.916 0.3 . 1 . . . . 151 ARG CA . 17084 1 244 . 1 1 33 33 ARG CB C 13 29.788 0.3 . 1 . . . . 151 ARG CB . 17084 1 245 . 1 1 33 33 ARG CD C 13 43.406 0.3 . 1 . . . . 151 ARG CD . 17084 1 246 . 1 1 33 33 ARG CG C 13 28.493 0.3 . 1 . . . . 151 ARG CG . 17084 1 247 . 1 1 33 33 ARG N N 15 117.412 0.3 . 1 . . . . 151 ARG N . 17084 1 248 . 1 1 33 33 ARG NE N 15 84.926 0.3 . 1 . . . . 151 ARG NE . 17084 1 249 . 1 1 34 34 GLU HA H 1 4.083 0.020 . 1 . . . . 152 GLU HA . 17084 1 250 . 1 1 34 34 GLU HG2 H 1 2.438 0.020 . 2 . . . . 152 GLU HG2 . 17084 1 251 . 1 1 34 34 GLU HG3 H 1 2.218 0.020 . 2 . . . . 152 GLU HG3 . 17084 1 252 . 1 1 34 34 GLU CA C 13 57.844 0.3 . 1 . . . . 152 GLU CA . 17084 1 253 . 1 1 34 34 GLU CB C 13 29.809 0.3 . 1 . . . . 152 GLU CB . 17084 1 254 . 1 1 34 34 GLU CG C 13 36.049 0.3 . 1 . . . . 152 GLU CG . 17084 1 255 . 1 1 34 34 GLU N N 15 115.507 0.3 . 1 . . . . 152 GLU N . 17084 1 256 . 1 1 35 35 ASN HA H 1 4.485 0.020 . 1 . . . . 153 ASN HA . 17084 1 257 . 1 1 35 35 ASN HB2 H 1 2.216 0.020 . 2 . . . . 153 ASN HB2 . 17084 1 258 . 1 1 35 35 ASN HB3 H 1 2.140 0.020 . 2 . . . . 153 ASN HB3 . 17084 1 259 . 1 1 35 35 ASN HD21 H 1 6.754 0.020 . 1 . . . . 153 ASN HD21 . 17084 1 260 . 1 1 35 35 ASN HD22 H 1 6.515 0.020 . 1 . . . . 153 ASN HD22 . 17084 1 261 . 1 1 35 35 ASN CA C 13 54.836 0.3 . 1 . . . . 153 ASN CA . 17084 1 262 . 1 1 35 35 ASN CB C 13 41.134 0.3 . 1 . . . . 153 ASN CB . 17084 1 263 . 1 1 35 35 ASN N N 15 115.354 0.3 . 1 . . . . 153 ASN N . 17084 1 264 . 1 1 35 35 ASN ND2 N 15 116.799 0.3 . 1 . . . . 153 ASN ND2 . 17084 1 265 . 1 1 36 36 MET HA H 1 3.448 0.020 . 1 . . . . 154 MET HA . 17084 1 266 . 1 1 36 36 MET HB2 H 1 1.577 0.020 . 2 . . . . 154 MET HB2 . 17084 1 267 . 1 1 36 36 MET HB3 H 1 1.243 0.020 . 2 . . . . 154 MET HB3 . 17084 1 268 . 1 1 36 36 MET HG2 H 1 2.290 0.020 . 2 . . . . 154 MET HG2 . 17084 1 269 . 1 1 36 36 MET HG3 H 1 1.785 0.020 . 2 . . . . 154 MET HG3 . 17084 1 270 . 1 1 36 36 MET CA C 13 58.984 0.3 . 1 . . . . 154 MET CA . 17084 1 271 . 1 1 36 36 MET CB C 13 30.498 0.3 . 1 . . . . 154 MET CB . 17084 1 272 . 1 1 36 36 MET CE C 13 17.223 0.3 . 1 . . . . 154 MET CE . 17084 1 273 . 1 1 36 36 MET CG C 13 30.116 0.3 . 1 . . . . 154 MET CG . 17084 1 274 . 1 1 36 36 MET N N 15 118.402 0.3 . 1 . . . . 154 MET N . 17084 1 275 . 1 1 37 37 TYR HA H 1 4.125 0.020 . 1 . . . . 155 TYR HA . 17084 1 276 . 1 1 37 37 TYR HB2 H 1 2.988 0.020 . 2 . . . . 155 TYR HB2 . 17084 1 277 . 1 1 37 37 TYR HB3 H 1 2.940 0.020 . 2 . . . . 155 TYR HB3 . 17084 1 278 . 1 1 37 37 TYR CA C 13 59.395 0.3 . 1 . . . . 155 TYR CA . 17084 1 279 . 1 1 37 37 TYR CB C 13 36.096 0.3 . 1 . . . . 155 TYR CB . 17084 1 280 . 1 1 37 37 TYR CD1 C 13 133.130 0.3 . 1 . . . . 155 TYR CD1 . 17084 1 281 . 1 1 37 37 TYR CE1 C 13 118.345 0.3 . 1 . . . . 155 TYR CE1 . 17084 1 282 . 1 1 37 37 TYR N N 15 116.393 0.3 . 1 . . . . 155 TYR N . 17084 1 283 . 1 1 38 38 ARG HA H 1 4.022 0.020 . 1 . . . . 156 ARG HA . 17084 1 284 . 1 1 38 38 ARG HB2 H 1 1.322 0.020 . 2 . . . . 156 ARG HB2 . 17084 1 285 . 1 1 38 38 ARG HB3 H 1 1.994 0.020 . 2 . . . . 156 ARG HB3 . 17084 1 286 . 1 1 38 38 ARG HD2 H 1 3.192 0.020 . 2 . . . . 156 ARG HD2 . 17084 1 287 . 1 1 38 38 ARG HD3 H 1 3.061 0.020 . 2 . . . . 156 ARG HD3 . 17084 1 288 . 1 1 38 38 ARG HE H 1 7.322 0.020 . 1 . . . . 156 ARG HE . 17084 1 289 . 1 1 38 38 ARG HG2 H 1 1.280 0.020 . 2 . . . . 156 ARG HG2 . 17084 1 290 . 1 1 38 38 ARG HG3 H 1 0.529 0.020 . 2 . . . . 156 ARG HG3 . 17084 1 291 . 1 1 38 38 ARG HH21 H 1 6.445 0.020 . 1 . . . . 156 ARG HH21 . 17084 1 292 . 1 1 38 38 ARG CA C 13 56.295 0.3 . 1 . . . . 156 ARG CA . 17084 1 293 . 1 1 38 38 ARG CB C 13 30.632 0.3 . 1 . . . . 156 ARG CB . 17084 1 294 . 1 1 38 38 ARG CD C 13 44.264 0.3 . 1 . . . . 156 ARG CD . 17084 1 295 . 1 1 38 38 ARG CG C 13 27.257 0.3 . 1 . . . . 156 ARG CG . 17084 1 296 . 1 1 38 38 ARG N N 15 118.656 0.3 . 1 . . . . 156 ARG N . 17084 1 297 . 1 1 38 38 ARG NE N 15 84.748 0.3 . 1 . . . . 156 ARG NE . 17084 1 298 . 1 1 39 39 TYR HA H 1 5.025 0.020 . 1 . . . . 157 TYR HA . 17084 1 299 . 1 1 39 39 TYR CA C 13 52.681 0.3 . 1 . . . . 157 TYR CA . 17084 1 300 . 1 1 39 39 TYR CB C 13 34.988 0.3 . 1 . . . . 157 TYR CB . 17084 1 301 . 1 1 39 39 TYR CD1 C 13 131.110 0.3 . 1 . . . . 157 TYR CD1 . 17084 1 302 . 1 1 39 39 TYR CE1 C 13 117.131 0.3 . 1 . . . . 157 TYR CE1 . 17084 1 303 . 1 1 39 39 TYR N N 15 120.698 0.3 . 1 . . . . 157 TYR N . 17084 1 304 . 1 1 40 40 PRO HA H 1 4.406 0.020 . 1 . . . . 158 PRO HA . 17084 1 305 . 1 1 40 40 PRO HB2 H 1 1.680 0.020 . 2 . . . . 158 PRO HB2 . 17084 1 306 . 1 1 40 40 PRO HB3 H 1 2.426 0.020 . 2 . . . . 158 PRO HB3 . 17084 1 307 . 1 1 40 40 PRO HD2 H 1 3.111 0.020 . 2 . . . . 158 PRO HD2 . 17084 1 308 . 1 1 40 40 PRO HD3 H 1 3.286 0.020 . 2 . . . . 158 PRO HD3 . 17084 1 309 . 1 1 40 40 PRO HG2 H 1 1.547 0.020 . 2 . . . . 158 PRO HG2 . 17084 1 310 . 1 1 40 40 PRO HG3 H 1 1.289 0.020 . 2 . . . . 158 PRO HG3 . 17084 1 311 . 1 1 40 40 PRO CA C 13 63.432 0.3 . 1 . . . . 158 PRO CA . 17084 1 312 . 1 1 40 40 PRO CB C 13 32.356 0.3 . 1 . . . . 158 PRO CB . 17084 1 313 . 1 1 40 40 PRO CD C 13 49.923 0.3 . 1 . . . . 158 PRO CD . 17084 1 314 . 1 1 40 40 PRO CG C 13 27.248 0.3 . 1 . . . . 158 PRO CG . 17084 1 315 . 1 1 41 41 ASN HA H 1 4.697 0.020 . 1 . . . . 159 ASN HA . 17084 1 316 . 1 1 41 41 ASN HB2 H 1 3.746 0.020 . 2 . . . . 159 ASN HB2 . 17084 1 317 . 1 1 41 41 ASN HB3 H 1 2.374 0.020 . 2 . . . . 159 ASN HB3 . 17084 1 318 . 1 1 41 41 ASN HD21 H 1 7.509 0.020 . 1 . . . . 159 ASN HD21 . 17084 1 319 . 1 1 41 41 ASN HD22 H 1 6.809 0.020 . 1 . . . . 159 ASN HD22 . 17084 1 320 . 1 1 41 41 ASN CA C 13 51.676 0.3 . 1 . . . . 159 ASN CA . 17084 1 321 . 1 1 41 41 ASN CB C 13 38.110 0.3 . 1 . . . . 159 ASN CB . 17084 1 322 . 1 1 41 41 ASN N N 15 115.744 0.3 . 1 . . . . 159 ASN N . 17084 1 323 . 1 1 41 41 ASN ND2 N 15 109.099 0.3 . 1 . . . . 159 ASN ND2 . 17084 1 324 . 1 1 42 42 GLN HA H 1 4.567 0.020 . 1 . . . . 160 GLN HA . 17084 1 325 . 1 1 42 42 GLN HB2 H 1 1.975 0.020 . 2 . . . . 160 GLN HB2 . 17084 1 326 . 1 1 42 42 GLN HB3 H 1 1.697 0.020 . 2 . . . . 160 GLN HB3 . 17084 1 327 . 1 1 42 42 GLN HE21 H 1 7.937 0.020 . 1 . . . . 160 GLN HE21 . 17084 1 328 . 1 1 42 42 GLN HE22 H 1 7.022 0.020 . 1 . . . . 160 GLN HE22 . 17084 1 329 . 1 1 42 42 GLN HG2 H 1 2.161 0.020 . 2 . . . . 160 GLN HG2 . 17084 1 330 . 1 1 42 42 GLN HG3 H 1 2.022 0.020 . 2 . . . . 160 GLN HG3 . 17084 1 331 . 1 1 42 42 GLN CA C 13 54.098 0.3 . 1 . . . . 160 GLN CA . 17084 1 332 . 1 1 42 42 GLN CB C 13 33.583 0.3 . 1 . . . . 160 GLN CB . 17084 1 333 . 1 1 42 42 GLN CG C 13 34.015 0.3 . 1 . . . . 160 GLN CG . 17084 1 334 . 1 1 42 42 GLN N N 15 113.911 0.3 . 1 . . . . 160 GLN N . 17084 1 335 . 1 1 42 42 GLN NE2 N 15 112.876 0.3 . 1 . . . . 160 GLN NE2 . 17084 1 336 . 1 1 43 43 VAL HA H 1 4.939 0.020 . 1 . . . . 161 VAL HA . 17084 1 337 . 1 1 43 43 VAL HB H 1 2.630 0.020 . 1 . . . . 161 VAL HB . 17084 1 338 . 1 1 43 43 VAL CA C 13 58.614 0.3 . 1 . . . . 161 VAL CA . 17084 1 339 . 1 1 43 43 VAL CB C 13 33.928 0.3 . 1 . . . . 161 VAL CB . 17084 1 340 . 1 1 43 43 VAL CG1 C 13 23.533 0.3 . 1 . . . . 161 VAL CG1 . 17084 1 341 . 1 1 43 43 VAL CG2 C 13 18.189 0.3 . 1 . . . . 161 VAL CG2 . 17084 1 342 . 1 1 43 43 VAL N N 15 112.971 0.3 . 1 . . . . 161 VAL N . 17084 1 343 . 1 1 44 44 TYR HA H 1 5.569 0.020 . 1 . . . . 162 TYR HA . 17084 1 344 . 1 1 44 44 TYR HB2 H 1 2.603 0.020 . 2 . . . . 162 TYR HB2 . 17084 1 345 . 1 1 44 44 TYR HB3 H 1 2.554 0.020 . 2 . . . . 162 TYR HB3 . 17084 1 346 . 1 1 44 44 TYR CA C 13 56.889 0.3 . 1 . . . . 162 TYR CA . 17084 1 347 . 1 1 44 44 TYR CB C 13 41.921 0.3 . 1 . . . . 162 TYR CB . 17084 1 348 . 1 1 44 44 TYR CD1 C 13 132.876 0.3 . 1 . . . . 162 TYR CD1 . 17084 1 349 . 1 1 44 44 TYR CE1 C 13 118.290 0.3 . 1 . . . . 162 TYR CE1 . 17084 1 350 . 1 1 44 44 TYR N N 15 121.424 0.3 . 1 . . . . 162 TYR N . 17084 1 351 . 1 1 45 45 TYR HA H 1 4.802 0.020 . 1 . . . . 163 TYR HA . 17084 1 352 . 1 1 45 45 TYR HB2 H 1 2.664 0.020 . 2 . . . . 163 TYR HB2 . 17084 1 353 . 1 1 45 45 TYR HB3 H 1 2.617 0.020 . 2 . . . . 163 TYR HB3 . 17084 1 354 . 1 1 45 45 TYR CA C 13 55.932 0.3 . 1 . . . . 163 TYR CA . 17084 1 355 . 1 1 45 45 TYR CB C 13 40.257 0.3 . 1 . . . . 163 TYR CB . 17084 1 356 . 1 1 45 45 TYR CD1 C 13 134.003 0.3 . 1 . . . . 163 TYR CD1 . 17084 1 357 . 1 1 45 45 TYR CE1 C 13 117.653 0.3 . 1 . . . . 163 TYR CE1 . 17084 1 358 . 1 1 45 45 TYR N N 15 111.009 0.3 . 1 . . . . 163 TYR N . 17084 1 359 . 1 1 46 46 ARG HA H 1 4.622 0.020 . 1 . . . . 164 ARG HA . 17084 1 360 . 1 1 46 46 ARG HB2 H 1 1.600 0.020 . 2 . . . . 164 ARG HB2 . 17084 1 361 . 1 1 46 46 ARG HB3 H 1 1.642 0.020 . 2 . . . . 164 ARG HB3 . 17084 1 362 . 1 1 46 46 ARG HD2 H 1 2.785 0.020 . 2 . . . . 164 ARG HD2 . 17084 1 363 . 1 1 46 46 ARG HD3 H 1 2.841 0.020 . 2 . . . . 164 ARG HD3 . 17084 1 364 . 1 1 46 46 ARG HE H 1 6.640 0.020 . 1 . . . . 164 ARG HE . 17084 1 365 . 1 1 46 46 ARG HG2 H 1 1.049 0.020 . 2 . . . . 164 ARG HG2 . 17084 1 366 . 1 1 46 46 ARG HG3 H 1 1.039 0.020 . 2 . . . . 164 ARG HG3 . 17084 1 367 . 1 1 46 46 ARG CA C 13 53.381 0.3 . 1 . . . . 164 ARG CA . 17084 1 368 . 1 1 46 46 ARG CB C 13 29.764 0.3 . 1 . . . . 164 ARG CB . 17084 1 369 . 1 1 46 46 ARG CD C 13 43.410 0.3 . 1 . . . . 164 ARG CD . 17084 1 370 . 1 1 46 46 ARG CG C 13 27.575 0.3 . 1 . . . . 164 ARG CG . 17084 1 371 . 1 1 46 46 ARG N N 15 120.720 0.3 . 1 . . . . 164 ARG N . 17084 1 372 . 1 1 46 46 ARG NE N 15 84.853 0.3 . 1 . . . . 164 ARG NE . 17084 1 373 . 1 1 47 47 PRO HA H 1 4.581 0.020 . 1 . . . . 165 PRO HA . 17084 1 374 . 1 1 47 47 PRO HB2 H 1 1.933 0.020 . 2 . . . . 165 PRO HB2 . 17084 1 375 . 1 1 47 47 PRO HB3 H 1 2.468 0.020 . 2 . . . . 165 PRO HB3 . 17084 1 376 . 1 1 47 47 PRO HD2 H 1 3.659 0.020 . 2 . . . . 165 PRO HD2 . 17084 1 377 . 1 1 47 47 PRO HD3 H 1 3.435 0.020 . 2 . . . . 165 PRO HD3 . 17084 1 378 . 1 1 47 47 PRO HG2 H 1 2.110 0.020 . 2 . . . . 165 PRO HG2 . 17084 1 379 . 1 1 47 47 PRO HG3 H 1 1.994 0.020 . 2 . . . . 165 PRO HG3 . 17084 1 380 . 1 1 47 47 PRO CA C 13 63.359 0.3 . 1 . . . . 165 PRO CA . 17084 1 381 . 1 1 47 47 PRO CB C 13 32.554 0.3 . 1 . . . . 165 PRO CB . 17084 1 382 . 1 1 47 47 PRO CD C 13 50.228 0.3 . 1 . . . . 165 PRO CD . 17084 1 383 . 1 1 47 47 PRO CG C 13 28.246 0.3 . 1 . . . . 165 PRO CG . 17084 1 384 . 1 1 48 48 VAL HA H 1 4.235 0.020 . 1 . . . . 166 VAL HA . 17084 1 385 . 1 1 48 48 VAL HB H 1 1.955 0.020 . 1 . . . . 166 VAL HB . 17084 1 386 . 1 1 48 48 VAL CA C 13 64.845 0.3 . 1 . . . . 166 VAL CA . 17084 1 387 . 1 1 48 48 VAL CB C 13 32.413 0.3 . 1 . . . . 166 VAL CB . 17084 1 388 . 1 1 48 48 VAL CG1 C 13 21.525 0.3 . 1 . . . . 166 VAL CG1 . 17084 1 389 . 1 1 48 48 VAL CG2 C 13 21.934 0.3 . 1 . . . . 166 VAL CG2 . 17084 1 390 . 1 1 48 48 VAL N N 15 119.623 0.3 . 1 . . . . 166 VAL N . 17084 1 391 . 1 1 50 50 GLN HA H 1 4.062 0.020 . 1 . . . . 168 GLN HA . 17084 1 392 . 1 1 50 50 GLN HB2 H 1 1.794 0.020 . 2 . . . . 168 GLN HB2 . 17084 1 393 . 1 1 50 50 GLN HB3 H 1 1.883 0.020 . 2 . . . . 168 GLN HB3 . 17084 1 394 . 1 1 50 50 GLN HE21 H 1 7.535 0.020 . 1 . . . . 168 GLN HE21 . 17084 1 395 . 1 1 50 50 GLN HE22 H 1 6.838 0.020 . 1 . . . . 168 GLN HE22 . 17084 1 396 . 1 1 50 50 GLN CA C 13 56.173 0.3 . 1 . . . . 168 GLN CA . 17084 1 397 . 1 1 50 50 GLN CB C 13 27.460 0.3 . 1 . . . . 168 GLN CB . 17084 1 398 . 1 1 50 50 GLN CG C 13 32.131 0.3 . 1 . . . . 168 GLN CG . 17084 1 399 . 1 1 50 50 GLN NE2 N 15 112.781 0.3 . 1 . . . . 168 GLN NE2 . 17084 1 400 . 1 1 51 51 TYR HA H 1 4.873 0.020 . 1 . . . . 169 TYR HA . 17084 1 401 . 1 1 51 51 TYR HB2 H 1 3.296 0.020 . 2 . . . . 169 TYR HB2 . 17084 1 402 . 1 1 51 51 TYR HB3 H 1 2.991 0.020 . 2 . . . . 169 TYR HB3 . 17084 1 403 . 1 1 51 51 TYR CA C 13 56.858 0.3 . 1 . . . . 169 TYR CA . 17084 1 404 . 1 1 51 51 TYR CB C 13 41.336 0.3 . 1 . . . . 169 TYR CB . 17084 1 405 . 1 1 51 51 TYR CD1 C 13 133.668 0.3 . 1 . . . . 169 TYR CD1 . 17084 1 406 . 1 1 51 51 TYR CE1 C 13 118.690 0.3 . 1 . . . . 169 TYR CE1 . 17084 1 407 . 1 1 52 52 SER HA H 1 4.572 0.020 . 1 . . . . 170 SER HA . 17084 1 408 . 1 1 52 52 SER HB2 H 1 4.022 0.020 . 2 . . . . 170 SER HB2 . 17084 1 409 . 1 1 52 52 SER HB3 H 1 4.009 0.020 . 2 . . . . 170 SER HB3 . 17084 1 410 . 1 1 52 52 SER CA C 13 59.222 0.3 . 1 . . . . 170 SER CA . 17084 1 411 . 1 1 52 52 SER CB C 13 63.784 0.3 . 1 . . . . 170 SER CB . 17084 1 412 . 1 1 53 53 ASN HA H 1 4.780 0.020 . 1 . . . . 171 ASN HA . 17084 1 413 . 1 1 53 53 ASN HB2 H 1 3.137 0.020 . 2 . . . . 171 ASN HB2 . 17084 1 414 . 1 1 53 53 ASN HB3 H 1 2.991 0.020 . 2 . . . . 171 ASN HB3 . 17084 1 415 . 1 1 53 53 ASN HD21 H 1 7.563 0.020 . 1 . . . . 171 ASN HD21 . 17084 1 416 . 1 1 53 53 ASN HD22 H 1 6.704 0.020 . 1 . . . . 171 ASN HD22 . 17084 1 417 . 1 1 53 53 ASN CA C 13 52.149 0.3 . 1 . . . . 171 ASN CA . 17084 1 418 . 1 1 53 53 ASN CB C 13 40.124 0.3 . 1 . . . . 171 ASN CB . 17084 1 419 . 1 1 53 53 ASN ND2 N 15 113.739 0.3 . 1 . . . . 171 ASN ND2 . 17084 1 420 . 1 1 54 54 GLN HA H 1 2.781 0.020 . 1 . . . . 172 GLN HA . 17084 1 421 . 1 1 54 54 GLN HB2 H 1 1.702 0.020 . 2 . . . . 172 GLN HB2 . 17084 1 422 . 1 1 54 54 GLN HB3 H 1 1.585 0.020 . 2 . . . . 172 GLN HB3 . 17084 1 423 . 1 1 54 54 GLN HE21 H 1 7.300 0.020 . 1 . . . . 172 GLN HE21 . 17084 1 424 . 1 1 54 54 GLN HE22 H 1 6.909 0.020 . 1 . . . . 172 GLN HE22 . 17084 1 425 . 1 1 54 54 GLN HG2 H 1 1.865 0.020 . 2 . . . . 172 GLN HG2 . 17084 1 426 . 1 1 54 54 GLN HG3 H 1 1.251 0.020 . 2 . . . . 172 GLN HG3 . 17084 1 427 . 1 1 54 54 GLN CA C 13 59.420 0.3 . 1 . . . . 172 GLN CA . 17084 1 428 . 1 1 54 54 GLN CB C 13 29.297 0.3 . 1 . . . . 172 GLN CB . 17084 1 429 . 1 1 54 54 GLN CG C 13 33.877 0.3 . 1 . . . . 172 GLN CG . 17084 1 430 . 1 1 54 54 GLN N N 15 120.148 0.3 . 1 . . . . 172 GLN N . 17084 1 431 . 1 1 54 54 GLN NE2 N 15 111.977 0.3 . 1 . . . . 172 GLN NE2 . 17084 1 432 . 1 1 55 55 ASN HA H 1 4.228 0.020 . 1 . . . . 173 ASN HA . 17084 1 433 . 1 1 55 55 ASN HB2 H 1 2.645 0.020 . 2 . . . . 173 ASN HB2 . 17084 1 434 . 1 1 55 55 ASN HB3 H 1 2.734 0.020 . 2 . . . . 173 ASN HB3 . 17084 1 435 . 1 1 55 55 ASN HD21 H 1 7.608 0.020 . 1 . . . . 173 ASN HD21 . 17084 1 436 . 1 1 55 55 ASN HD22 H 1 6.979 0.020 . 1 . . . . 173 ASN HD22 . 17084 1 437 . 1 1 55 55 ASN CA C 13 56.374 0.3 . 1 . . . . 173 ASN CA . 17084 1 438 . 1 1 55 55 ASN CB C 13 37.694 0.3 . 1 . . . . 173 ASN CB . 17084 1 439 . 1 1 55 55 ASN N N 15 117.193 0.3 . 1 . . . . 173 ASN N . 17084 1 440 . 1 1 55 55 ASN ND2 N 15 112.921 0.3 . 1 . . . . 173 ASN ND2 . 17084 1 441 . 1 1 56 56 ASN HA H 1 4.554 0.020 . 1 . . . . 174 ASN HA . 17084 1 442 . 1 1 56 56 ASN HB2 H 1 3.116 0.020 . 2 . . . . 174 ASN HB2 . 17084 1 443 . 1 1 56 56 ASN HB3 H 1 2.951 0.020 . 2 . . . . 174 ASN HB3 . 17084 1 444 . 1 1 56 56 ASN HD21 H 1 7.694 0.020 . 1 . . . . 174 ASN HD21 . 17084 1 445 . 1 1 56 56 ASN HD22 H 1 7.164 0.020 . 1 . . . . 174 ASN HD22 . 17084 1 446 . 1 1 56 56 ASN CA C 13 55.868 0.3 . 1 . . . . 174 ASN CA . 17084 1 447 . 1 1 56 56 ASN CB C 13 37.926 0.3 . 1 . . . . 174 ASN CB . 17084 1 448 . 1 1 56 56 ASN N N 15 118.654 0.3 . 1 . . . . 174 ASN N . 17084 1 449 . 1 1 56 56 ASN ND2 N 15 112.048 0.3 . 1 . . . . 174 ASN ND2 . 17084 1 450 . 1 1 57 57 PHE HZ H 1 6.668 0.020 . 1 . . . . 175 PHE HZ . 17084 1 451 . 1 1 57 57 PHE CB C 13 38.493 0.3 . 1 . . . . 175 PHE CB . 17084 1 452 . 1 1 57 57 PHE CD1 C 13 133.282 0.3 . 1 . . . . 175 PHE CD1 . 17084 1 453 . 1 1 57 57 PHE CE1 C 13 132.055 0.3 . 1 . . . . 175 PHE CE1 . 17084 1 454 . 1 1 57 57 PHE CZ C 13 129.112 0.3 . 1 . . . . 175 PHE CZ . 17084 1 455 . 1 1 58 58 VAL HA H 1 3.470 0.020 . 1 . . . . 176 VAL HA . 17084 1 456 . 1 1 58 58 VAL HB H 1 2.220 0.020 . 1 . . . . 176 VAL HB . 17084 1 457 . 1 1 58 58 VAL CA C 13 67.714 0.3 . 1 . . . . 176 VAL CA . 17084 1 458 . 1 1 58 58 VAL CB C 13 31.918 0.3 . 1 . . . . 176 VAL CB . 17084 1 459 . 1 1 58 58 VAL CG1 C 13 21.746 0.3 . 1 . . . . 176 VAL CG1 . 17084 1 460 . 1 1 58 58 VAL CG2 C 13 24.599 0.3 . 1 . . . . 176 VAL CG2 . 17084 1 461 . 1 1 58 58 VAL N N 15 120.386 0.3 . 1 . . . . 176 VAL N . 17084 1 462 . 1 1 59 59 HIS HA H 1 4.307 0.020 . 1 . . . . 177 HIS HA . 17084 1 463 . 1 1 59 59 HIS HB2 H 1 3.385 0.020 . 2 . . . . 177 HIS HB2 . 17084 1 464 . 1 1 59 59 HIS HB3 H 1 3.339 0.020 . 2 . . . . 177 HIS HB3 . 17084 1 465 . 1 1 59 59 HIS HD2 H 1 7.387 0.020 . 1 . . . . 177 HIS HD2 . 17084 1 466 . 1 1 59 59 HIS HE1 H 1 8.633 0.020 . 1 . . . . 177 HIS HE1 . 17084 1 467 . 1 1 59 59 HIS CA C 13 59.250 0.3 . 1 . . . . 177 HIS CA . 17084 1 468 . 1 1 59 59 HIS CB C 13 28.218 0.3 . 1 . . . . 177 HIS CB . 17084 1 469 . 1 1 59 59 HIS CD2 C 13 119.973 0.3 . 1 . . . . 177 HIS CD2 . 17084 1 470 . 1 1 59 59 HIS CE1 C 13 136.141 0.3 . 1 . . . . 177 HIS CE1 . 17084 1 471 . 1 1 59 59 HIS N N 15 116.715 0.3 . 1 . . . . 177 HIS N . 17084 1 472 . 1 1 60 60 ASP HA H 1 4.561 0.020 . 1 . . . . 178 ASP HA . 17084 1 473 . 1 1 60 60 ASP HB2 H 1 2.964 0.020 . 2 . . . . 178 ASP HB2 . 17084 1 474 . 1 1 60 60 ASP HB3 H 1 2.945 0.020 . 2 . . . . 178 ASP HB3 . 17084 1 475 . 1 1 60 60 ASP CA C 13 57.190 0.3 . 1 . . . . 178 ASP CA . 17084 1 476 . 1 1 60 60 ASP CB C 13 41.305 0.3 . 1 . . . . 178 ASP CB . 17084 1 477 . 1 1 60 60 ASP N N 15 118.628 0.3 . 1 . . . . 178 ASP N . 17084 1 478 . 1 1 61 61 CYS HA H 1 4.736 0.020 . 1 . . . . 179 CYS HA . 17084 1 479 . 1 1 61 61 CYS HB2 H 1 3.287 0.020 . 2 . . . . 179 CYS HB2 . 17084 1 480 . 1 1 61 61 CYS HB3 H 1 2.904 0.020 . 2 . . . . 179 CYS HB3 . 17084 1 481 . 1 1 61 61 CYS CA C 13 58.598 0.3 . 1 . . . . 179 CYS CA . 17084 1 482 . 1 1 61 61 CYS CB C 13 40.873 0.3 . 1 . . . . 179 CYS CB . 17084 1 483 . 1 1 61 61 CYS N N 15 119.423 0.3 . 1 . . . . 179 CYS N . 17084 1 484 . 1 1 62 62 VAL HA H 1 3.655 0.020 . 1 . . . . 180 VAL HA . 17084 1 485 . 1 1 62 62 VAL HB H 1 2.156 0.020 . 1 . . . . 180 VAL HB . 17084 1 486 . 1 1 62 62 VAL CA C 13 66.157 0.3 . 1 . . . . 180 VAL CA . 17084 1 487 . 1 1 62 62 VAL CB C 13 31.921 0.3 . 1 . . . . 180 VAL CB . 17084 1 488 . 1 1 62 62 VAL CG1 C 13 21.782 0.3 . 1 . . . . 180 VAL CG1 . 17084 1 489 . 1 1 62 62 VAL CG2 C 13 23.637 0.3 . 1 . . . . 180 VAL CG2 . 17084 1 490 . 1 1 62 62 VAL N N 15 124.796 0.3 . 1 . . . . 180 VAL N . 17084 1 491 . 1 1 63 63 ASN HA H 1 4.315 0.020 . 1 . . . . 181 ASN HA . 17084 1 492 . 1 1 63 63 ASN HB2 H 1 2.877 0.020 . 2 . . . . 181 ASN HB2 . 17084 1 493 . 1 1 63 63 ASN HB3 H 1 2.796 0.020 . 2 . . . . 181 ASN HB3 . 17084 1 494 . 1 1 63 63 ASN HD21 H 1 7.678 0.020 . 1 . . . . 181 ASN HD21 . 17084 1 495 . 1 1 63 63 ASN HD22 H 1 6.807 0.020 . 1 . . . . 181 ASN HD22 . 17084 1 496 . 1 1 63 63 ASN CA C 13 56.467 0.3 . 1 . . . . 181 ASN CA . 17084 1 497 . 1 1 63 63 ASN CB C 13 38.732 0.3 . 1 . . . . 181 ASN CB . 17084 1 498 . 1 1 63 63 ASN N N 15 116.495 0.3 . 1 . . . . 181 ASN N . 17084 1 499 . 1 1 63 63 ASN ND2 N 15 112.175 0.3 . 1 . . . . 181 ASN ND2 . 17084 1 500 . 1 1 64 64 ILE HA H 1 3.757 0.020 . 1 . . . . 182 ILE HA . 17084 1 501 . 1 1 64 64 ILE HB H 1 1.592 0.020 . 1 . . . . 182 ILE HB . 17084 1 502 . 1 1 64 64 ILE HG12 H 1 0.929 0.020 . 2 . . . . 182 ILE HG12 . 17084 1 503 . 1 1 64 64 ILE HG13 H 1 0.820 0.020 . 2 . . . . 182 ILE HG13 . 17084 1 504 . 1 1 64 64 ILE CA C 13 61.906 0.3 . 1 . . . . 182 ILE CA . 17084 1 505 . 1 1 64 64 ILE CB C 13 36.344 0.3 . 1 . . . . 182 ILE CB . 17084 1 506 . 1 1 64 64 ILE CD1 C 13 10.898 0.3 . 1 . . . . 182 ILE CD1 . 17084 1 507 . 1 1 64 64 ILE CG1 C 13 27.427 0.3 . 1 . . . . 182 ILE CG1 . 17084 1 508 . 1 1 64 64 ILE CG2 C 13 18.341 0.3 . 1 . . . . 182 ILE CG2 . 17084 1 509 . 1 1 64 64 ILE N N 15 118.871 0.3 . 1 . . . . 182 ILE N . 17084 1 510 . 1 1 65 65 THR HA H 1 4.084 0.020 . 1 . . . . 183 THR HA . 17084 1 511 . 1 1 65 65 THR HB H 1 4.484 0.020 . 1 . . . . 183 THR HB . 17084 1 512 . 1 1 65 65 THR HG1 H 1 6.409 0.020 . 1 . . . . 183 THR HG1 . 17084 1 513 . 1 1 65 65 THR CA C 13 68.666 0.3 . 1 . . . . 183 THR CA . 17084 1 514 . 1 1 65 65 THR CB C 13 68.178 0.3 . 1 . . . . 183 THR CB . 17084 1 515 . 1 1 65 65 THR CG2 C 13 22.219 0.3 . 1 . . . . 183 THR CG2 . 17084 1 516 . 1 1 65 65 THR N N 15 118.401 0.3 . 1 . . . . 183 THR N . 17084 1 517 . 1 1 66 66 ILE HA H 1 3.703 0.020 . 1 . . . . 184 ILE HA . 17084 1 518 . 1 1 66 66 ILE HB H 1 2.083 0.020 . 1 . . . . 184 ILE HB . 17084 1 519 . 1 1 66 66 ILE HG12 H 1 1.858 0.020 . 2 . . . . 184 ILE HG12 . 17084 1 520 . 1 1 66 66 ILE HG13 H 1 1.172 0.020 . 2 . . . . 184 ILE HG13 . 17084 1 521 . 1 1 66 66 ILE CA C 13 65.907 0.3 . 1 . . . . 184 ILE CA . 17084 1 522 . 1 1 66 66 ILE CB C 13 36.753 0.3 . 1 . . . . 184 ILE CB . 17084 1 523 . 1 1 66 66 ILE CD1 C 13 12.984 0.3 . 1 . . . . 184 ILE CD1 . 17084 1 524 . 1 1 66 66 ILE CG1 C 13 29.957 0.3 . 1 . . . . 184 ILE CG1 . 17084 1 525 . 1 1 66 66 ILE CG2 C 13 16.675 0.3 . 1 . . . . 184 ILE CG2 . 17084 1 526 . 1 1 66 66 ILE N N 15 121.010 0.3 . 1 . . . . 184 ILE N . 17084 1 527 . 1 1 67 67 LYS HA H 1 3.974 0.020 . 1 . . . . 185 LYS HA . 17084 1 528 . 1 1 67 67 LYS HB2 H 1 1.873 0.020 . 2 . . . . 185 LYS HB2 . 17084 1 529 . 1 1 67 67 LYS HB3 H 1 1.825 0.020 . 2 . . . . 185 LYS HB3 . 17084 1 530 . 1 1 67 67 LYS HG2 H 1 1.533 0.020 . 2 . . . . 185 LYS HG2 . 17084 1 531 . 1 1 67 67 LYS HG3 H 1 1.362 0.020 . 2 . . . . 185 LYS HG3 . 17084 1 532 . 1 1 67 67 LYS CA C 13 59.363 0.3 . 1 . . . . 185 LYS CA . 17084 1 533 . 1 1 67 67 LYS CB C 13 32.454 0.3 . 1 . . . . 185 LYS CB . 17084 1 534 . 1 1 67 67 LYS CD C 13 29.256 0.3 . 1 . . . . 185 LYS CD . 17084 1 535 . 1 1 67 67 LYS CE C 13 41.783 0.3 . 1 . . . . 185 LYS CE . 17084 1 536 . 1 1 67 67 LYS CG C 13 24.867 0.3 . 1 . . . . 185 LYS CG . 17084 1 537 . 1 1 67 67 LYS N N 15 122.939 0.3 . 1 . . . . 185 LYS N . 17084 1 538 . 1 1 68 68 GLN HA H 1 4.038 0.020 . 1 . . . . 186 GLN HA . 17084 1 539 . 1 1 68 68 GLN HB2 H 1 1.996 0.020 . 2 . . . . 186 GLN HB2 . 17084 1 540 . 1 1 68 68 GLN HB3 H 1 1.892 0.020 . 2 . . . . 186 GLN HB3 . 17084 1 541 . 1 1 68 68 GLN HE21 H 1 6.777 0.020 . 1 . . . . 186 GLN HE21 . 17084 1 542 . 1 1 68 68 GLN HE22 H 1 6.731 0.020 . 1 . . . . 186 GLN HE22 . 17084 1 543 . 1 1 68 68 GLN HG2 H 1 2.087 0.020 . 2 . . . . 186 GLN HG2 . 17084 1 544 . 1 1 68 68 GLN HG3 H 1 1.594 0.020 . 2 . . . . 186 GLN HG3 . 17084 1 545 . 1 1 68 68 GLN CA C 13 57.584 0.3 . 1 . . . . 186 GLN CA . 17084 1 546 . 1 1 68 68 GLN CB C 13 28.067 0.3 . 1 . . . . 186 GLN CB . 17084 1 547 . 1 1 68 68 GLN CG C 13 33.438 0.3 . 1 . . . . 186 GLN CG . 17084 1 548 . 1 1 68 68 GLN N N 15 116.422 0.3 . 1 . . . . 186 GLN N . 17084 1 549 . 1 1 68 68 GLN NE2 N 15 110.227 0.3 . 1 . . . . 186 GLN NE2 . 17084 1 550 . 1 1 69 69 HIS HA H 1 4.603 0.020 . 1 . . . . 187 HIS HA . 17084 1 551 . 1 1 69 69 HIS HB2 H 1 3.349 0.020 . 2 . . . . 187 HIS HB2 . 17084 1 552 . 1 1 69 69 HIS HB3 H 1 3.269 0.020 . 2 . . . . 187 HIS HB3 . 17084 1 553 . 1 1 69 69 HIS HD2 H 1 7.174 0.020 . 1 . . . . 187 HIS HD2 . 17084 1 554 . 1 1 69 69 HIS HE1 H 1 8.071 0.020 . 1 . . . . 187 HIS HE1 . 17084 1 555 . 1 1 69 69 HIS CA C 13 58.856 0.3 . 1 . . . . 187 HIS CA . 17084 1 556 . 1 1 69 69 HIS CB C 13 30.632 0.3 . 1 . . . . 187 HIS CB . 17084 1 557 . 1 1 69 69 HIS CD2 C 13 118.268 0.3 . 1 . . . . 187 HIS CD2 . 17084 1 558 . 1 1 69 69 HIS CE1 C 13 138.263 0.3 . 1 . . . . 187 HIS CE1 . 17084 1 559 . 1 1 69 69 HIS N N 15 118.033 0.3 . 1 . . . . 187 HIS N . 17084 1 560 . 1 1 70 70 THR HA H 1 4.163 0.020 . 1 . . . . 188 THR HA . 17084 1 561 . 1 1 70 70 THR HB H 1 4.438 0.020 . 1 . . . . 188 THR HB . 17084 1 562 . 1 1 70 70 THR CA C 13 65.360 0.3 . 1 . . . . 188 THR CA . 17084 1 563 . 1 1 70 70 THR CB C 13 68.954 0.3 . 1 . . . . 188 THR CB . 17084 1 564 . 1 1 70 70 THR CG2 C 13 21.236 0.3 . 1 . . . . 188 THR CG2 . 17084 1 565 . 1 1 70 70 THR N N 15 114.153 0.3 . 1 . . . . 188 THR N . 17084 1 566 . 1 1 71 71 VAL HA H 1 3.962 0.020 . 1 . . . . 189 VAL HA . 17084 1 567 . 1 1 71 71 VAL HB H 1 2.217 0.020 . 1 . . . . 189 VAL HB . 17084 1 568 . 1 1 71 71 VAL CA C 13 65.166 0.3 . 1 . . . . 189 VAL CA . 17084 1 569 . 1 1 71 71 VAL CB C 13 31.961 0.3 . 1 . . . . 189 VAL CB . 17084 1 570 . 1 1 71 71 VAL CG1 C 13 21.001 0.3 . 1 . . . . 189 VAL CG1 . 17084 1 571 . 1 1 71 71 VAL CG2 C 13 21.649 0.3 . 1 . . . . 189 VAL CG2 . 17084 1 572 . 1 1 71 71 VAL N N 15 122.221 0.3 . 1 . . . . 189 VAL N . 17084 1 573 . 1 1 72 72 THR HA H 1 4.213 0.020 . 1 . . . . 190 THR HA . 17084 1 574 . 1 1 72 72 THR HB H 1 4.291 0.020 . 1 . . . . 190 THR HB . 17084 1 575 . 1 1 72 72 THR CA C 13 63.991 0.3 . 1 . . . . 190 THR CA . 17084 1 576 . 1 1 72 72 THR CB C 13 69.079 0.3 . 1 . . . . 190 THR CB . 17084 1 577 . 1 1 72 72 THR CG2 C 13 21.600 0.3 . 1 . . . . 190 THR CG2 . 17084 1 578 . 1 1 72 72 THR N N 15 115.383 0.3 . 1 . . . . 190 THR N . 17084 1 579 . 1 1 73 73 THR HA H 1 4.165 0.020 . 1 . . . . 191 THR HA . 17084 1 580 . 1 1 73 73 THR HB H 1 4.136 0.020 . 1 . . . . 191 THR HB . 17084 1 581 . 1 1 73 73 THR CA C 13 64.078 0.3 . 1 . . . . 191 THR CA . 17084 1 582 . 1 1 73 73 THR CB C 13 68.908 0.3 . 1 . . . . 191 THR CB . 17084 1 583 . 1 1 73 73 THR CG2 C 13 21.287 0.3 . 1 . . . . 191 THR CG2 . 17084 1 584 . 1 1 73 73 THR N N 15 115.034 0.3 . 1 . . . . 191 THR N . 17084 1 585 . 1 1 74 74 THR HA H 1 4.371 0.020 . 1 . . . . 192 THR HA . 17084 1 586 . 1 1 74 74 THR HB H 1 4.355 0.020 . 1 . . . . 192 THR HB . 17084 1 587 . 1 1 74 74 THR CA C 13 64.284 0.3 . 1 . . . . 192 THR CA . 17084 1 588 . 1 1 74 74 THR CB C 13 69.079 0.3 . 1 . . . . 192 THR CB . 17084 1 589 . 1 1 74 74 THR CG2 C 13 21.404 0.3 . 1 . . . . 192 THR CG2 . 17084 1 590 . 1 1 74 74 THR N N 15 116.752 0.3 . 1 . . . . 192 THR N . 17084 1 591 . 1 1 75 75 THR HA H 1 4.194 0.020 . 1 . . . . 193 THR HA . 17084 1 592 . 1 1 75 75 THR HB H 1 4.266 0.020 . 1 . . . . 193 THR HB . 17084 1 593 . 1 1 75 75 THR CA C 13 64.219 0.3 . 1 . . . . 193 THR CA . 17084 1 594 . 1 1 75 75 THR CB C 13 69.118 0.3 . 1 . . . . 193 THR CB . 17084 1 595 . 1 1 75 75 THR CG2 C 13 21.597 0.3 . 1 . . . . 193 THR CG2 . 17084 1 596 . 1 1 75 75 THR N N 15 116.338 0.3 . 1 . . . . 193 THR N . 17084 1 597 . 1 1 76 76 LYS HA H 1 4.360 0.020 . 1 . . . . 194 LYS HA . 17084 1 598 . 1 1 76 76 LYS HB2 H 1 1.963 0.020 . 2 . . . . 194 LYS HB2 . 17084 1 599 . 1 1 76 76 LYS HB3 H 1 1.832 0.020 . 2 . . . . 194 LYS HB3 . 17084 1 600 . 1 1 76 76 LYS HG2 H 1 1.509 0.020 . 2 . . . . 194 LYS HG2 . 17084 1 601 . 1 1 76 76 LYS HG3 H 1 1.455 0.020 . 2 . . . . 194 LYS HG3 . 17084 1 602 . 1 1 76 76 LYS CA C 13 56.374 0.3 . 1 . . . . 194 LYS CA . 17084 1 603 . 1 1 76 76 LYS CB C 13 32.534 0.3 . 1 . . . . 194 LYS CB . 17084 1 604 . 1 1 76 76 LYS CD C 13 28.967 0.3 . 1 . . . . 194 LYS CD . 17084 1 605 . 1 1 76 76 LYS CE C 13 41.838 0.3 . 1 . . . . 194 LYS CE . 17084 1 606 . 1 1 76 76 LYS CG C 13 24.816 0.3 . 1 . . . . 194 LYS CG . 17084 1 607 . 1 1 76 76 LYS N N 15 121.273 0.3 . 1 . . . . 194 LYS N . 17084 1 608 . 1 1 77 77 GLY HA2 H 1 4.082 0.020 . 1 . . . . 195 GLY HA2 . 17084 1 609 . 1 1 77 77 GLY CA C 13 45.356 0.3 . 1 . . . . 195 GLY CA . 17084 1 610 . 1 1 77 77 GLY N N 15 109.129 0.3 . 1 . . . . 195 GLY N . 17084 1 611 . 1 1 78 78 GLU HA H 1 4.252 0.020 . 1 . . . . 196 GLU HA . 17084 1 612 . 1 1 78 78 GLU HG2 H 1 2.018 0.020 . 2 . . . . 196 GLU HG2 . 17084 1 613 . 1 1 78 78 GLU HG3 H 1 2.110 0.020 . 2 . . . . 196 GLU HG3 . 17084 1 614 . 1 1 78 78 GLU CA C 13 55.641 0.3 . 1 . . . . 196 GLU CA . 17084 1 615 . 1 1 78 78 GLU CB C 13 30.662 0.3 . 1 . . . . 196 GLU CB . 17084 1 616 . 1 1 78 78 GLU CG C 13 35.562 0.3 . 1 . . . . 196 GLU CG . 17084 1 617 . 1 1 78 78 GLU N N 15 120.137 0.3 . 1 . . . . 196 GLU N . 17084 1 618 . 1 1 79 79 ASN HA H 1 4.658 0.020 . 1 . . . . 197 ASN HA . 17084 1 619 . 1 1 79 79 ASN HB2 H 1 2.684 0.020 . 2 . . . . 197 ASN HB2 . 17084 1 620 . 1 1 79 79 ASN HB3 H 1 2.615 0.020 . 2 . . . . 197 ASN HB3 . 17084 1 621 . 1 1 79 79 ASN HD21 H 1 7.574 0.020 . 1 . . . . 197 ASN HD21 . 17084 1 622 . 1 1 79 79 ASN HD22 H 1 6.855 0.020 . 1 . . . . 197 ASN HD22 . 17084 1 623 . 1 1 79 79 ASN CA C 13 52.750 0.3 . 1 . . . . 197 ASN CA . 17084 1 624 . 1 1 79 79 ASN CB C 13 40.202 0.3 . 1 . . . . 197 ASN CB . 17084 1 625 . 1 1 79 79 ASN N N 15 119.981 0.3 . 1 . . . . 197 ASN N . 17084 1 626 . 1 1 79 79 ASN ND2 N 15 113.288 0.3 . 1 . . . . 197 ASN ND2 . 17084 1 627 . 1 1 80 80 PHE HA H 1 5.305 0.020 . 1 . . . . 198 PHE HA . 17084 1 628 . 1 1 80 80 PHE HB2 H 1 2.982 0.020 . 2 . . . . 198 PHE HB2 . 17084 1 629 . 1 1 80 80 PHE HB3 H 1 3.174 0.020 . 2 . . . . 198 PHE HB3 . 17084 1 630 . 1 1 80 80 PHE CA C 13 56.520 0.3 . 1 . . . . 198 PHE CA . 17084 1 631 . 1 1 80 80 PHE CB C 13 39.978 0.3 . 1 . . . . 198 PHE CB . 17084 1 632 . 1 1 80 80 PHE CD1 C 13 131.356 0.3 . 1 . . . . 198 PHE CD1 . 17084 1 633 . 1 1 80 80 PHE CE1 C 13 130.000 0.3 . 1 . . . . 198 PHE CE1 . 17084 1 634 . 1 1 80 80 PHE N N 15 122.139 0.3 . 1 . . . . 198 PHE N . 17084 1 635 . 1 1 81 81 THR HA H 1 4.628 0.020 . 1 . . . . 199 THR HA . 17084 1 636 . 1 1 81 81 THR HB H 1 4.846 0.020 . 1 . . . . 199 THR HB . 17084 1 637 . 1 1 81 81 THR CA C 13 60.390 0.3 . 1 . . . . 199 THR CA . 17084 1 638 . 1 1 81 81 THR CB C 13 72.027 0.3 . 1 . . . . 199 THR CB . 17084 1 639 . 1 1 81 81 THR CG2 C 13 21.636 0.3 . 1 . . . . 199 THR CG2 . 17084 1 640 . 1 1 81 81 THR N N 15 116.397 0.3 . 1 . . . . 199 THR N . 17084 1 641 . 1 1 82 82 GLU HA H 1 4.087 0.020 . 1 . . . . 200 GLU HA . 17084 1 642 . 1 1 82 82 GLU HB2 H 1 2.134 0.020 . 2 . . . . 200 GLU HB2 . 17084 1 643 . 1 1 82 82 GLU HB3 H 1 2.074 0.020 . 2 . . . . 200 GLU HB3 . 17084 1 644 . 1 1 82 82 GLU HG2 H 1 2.428 0.020 . 2 . . . . 200 GLU HG2 . 17084 1 645 . 1 1 82 82 GLU HG3 H 1 2.358 0.020 . 2 . . . . 200 GLU HG3 . 17084 1 646 . 1 1 82 82 GLU CA C 13 59.705 0.3 . 1 . . . . 200 GLU CA . 17084 1 647 . 1 1 82 82 GLU CB C 13 28.662 0.3 . 1 . . . . 200 GLU CB . 17084 1 648 . 1 1 82 82 GLU CG C 13 35.756 0.3 . 1 . . . . 200 GLU CG . 17084 1 649 . 1 1 82 82 GLU N N 15 120.011 0.3 . 1 . . . . 200 GLU N . 17084 1 650 . 1 1 83 83 THR HA H 1 3.820 0.020 . 1 . . . . 201 THR HA . 17084 1 651 . 1 1 83 83 THR HB H 1 3.757 0.020 . 1 . . . . 201 THR HB . 17084 1 652 . 1 1 83 83 THR CA C 13 66.766 0.3 . 1 . . . . 201 THR CA . 17084 1 653 . 1 1 83 83 THR CB C 13 68.588 0.3 . 1 . . . . 201 THR CB . 17084 1 654 . 1 1 83 83 THR CG2 C 13 21.245 0.3 . 1 . . . . 201 THR CG2 . 17084 1 655 . 1 1 83 83 THR N N 15 116.571 0.3 . 1 . . . . 201 THR N . 17084 1 656 . 1 1 84 84 ASP HA H 1 4.585 0.020 . 1 . . . . 202 ASP HA . 17084 1 657 . 1 1 84 84 ASP HB2 H 1 3.342 0.020 . 2 . . . . 202 ASP HB2 . 17084 1 658 . 1 1 84 84 ASP HB3 H 1 2.578 0.020 . 2 . . . . 202 ASP HB3 . 17084 1 659 . 1 1 84 84 ASP CA C 13 57.930 0.3 . 1 . . . . 202 ASP CA . 17084 1 660 . 1 1 84 84 ASP CB C 13 41.432 0.3 . 1 . . . . 202 ASP CB . 17084 1 661 . 1 1 84 84 ASP N N 15 120.250 0.3 . 1 . . . . 202 ASP N . 17084 1 662 . 1 1 85 85 VAL HA H 1 3.319 0.020 . 1 . . . . 203 VAL HA . 17084 1 663 . 1 1 85 85 VAL HB H 1 2.120 0.020 . 1 . . . . 203 VAL HB . 17084 1 664 . 1 1 85 85 VAL CA C 13 67.655 0.3 . 1 . . . . 203 VAL CA . 17084 1 665 . 1 1 85 85 VAL CB C 13 31.576 0.3 . 1 . . . . 203 VAL CB . 17084 1 666 . 1 1 85 85 VAL CG1 C 13 22.719 0.3 . 1 . . . . 203 VAL CG1 . 17084 1 667 . 1 1 85 85 VAL CG2 C 13 21.169 0.3 . 1 . . . . 203 VAL CG2 . 17084 1 668 . 1 1 85 85 VAL N N 15 119.827 0.3 . 1 . . . . 203 VAL N . 17084 1 669 . 1 1 86 86 LYS HA H 1 4.073 0.020 . 1 . . . . 204 LYS HA . 17084 1 670 . 1 1 86 86 LYS HG2 H 1 1.624 0.020 . 2 . . . . 204 LYS HG2 . 17084 1 671 . 1 1 86 86 LYS HG3 H 1 1.427 0.020 . 2 . . . . 204 LYS HG3 . 17084 1 672 . 1 1 86 86 LYS CA C 13 59.250 0.3 . 1 . . . . 204 LYS CA . 17084 1 673 . 1 1 86 86 LYS CB C 13 32.146 0.3 . 1 . . . . 204 LYS CB . 17084 1 674 . 1 1 86 86 LYS CD C 13 29.131 0.3 . 1 . . . . 204 LYS CD . 17084 1 675 . 1 1 86 86 LYS CE C 13 41.752 0.3 . 1 . . . . 204 LYS CE . 17084 1 676 . 1 1 86 86 LYS CG C 13 25.099 0.3 . 1 . . . . 204 LYS CG . 17084 1 677 . 1 1 86 86 LYS N N 15 119.347 0.3 . 1 . . . . 204 LYS N . 17084 1 678 . 1 1 87 87 MET HA H 1 4.150 0.020 . 1 . . . . 205 MET HA . 17084 1 679 . 1 1 87 87 MET HB2 H 1 2.341 0.020 . 2 . . . . 205 MET HB2 . 17084 1 680 . 1 1 87 87 MET HB3 H 1 1.922 0.020 . 2 . . . . 205 MET HB3 . 17084 1 681 . 1 1 87 87 MET HG2 H 1 3.046 0.020 . 2 . . . . 205 MET HG2 . 17084 1 682 . 1 1 87 87 MET HG3 H 1 2.349 0.020 . 2 . . . . 205 MET HG3 . 17084 1 683 . 1 1 87 87 MET CA C 13 59.721 0.3 . 1 . . . . 205 MET CA . 17084 1 684 . 1 1 87 87 MET CB C 13 32.874 0.3 . 1 . . . . 205 MET CB . 17084 1 685 . 1 1 87 87 MET CE C 13 18.204 0.3 . 1 . . . . 205 MET CE . 17084 1 686 . 1 1 87 87 MET CG C 13 34.019 0.3 . 1 . . . . 205 MET CG . 17084 1 687 . 1 1 87 87 MET N N 15 118.766 0.3 . 1 . . . . 205 MET N . 17084 1 688 . 1 1 88 88 MET HA H 1 3.541 0.020 . 1 . . . . 206 MET HA . 17084 1 689 . 1 1 88 88 MET HB2 H 1 1.934 0.020 . 2 . . . . 206 MET HB2 . 17084 1 690 . 1 1 88 88 MET HB3 H 1 1.705 0.020 . 2 . . . . 206 MET HB3 . 17084 1 691 . 1 1 88 88 MET HG2 H 1 1.978 0.020 . 2 . . . . 206 MET HG2 . 17084 1 692 . 1 1 88 88 MET HG3 H 1 1.744 0.020 . 2 . . . . 206 MET HG3 . 17084 1 693 . 1 1 88 88 MET CA C 13 59.596 0.3 . 1 . . . . 206 MET CA . 17084 1 694 . 1 1 88 88 MET CB C 13 33.444 0.3 . 1 . . . . 206 MET CB . 17084 1 695 . 1 1 88 88 MET CE C 13 16.060 0.3 . 1 . . . . 206 MET CE . 17084 1 696 . 1 1 88 88 MET CG C 13 32.637 0.3 . 1 . . . . 206 MET CG . 17084 1 697 . 1 1 88 88 MET N N 15 118.433 0.3 . 1 . . . . 206 MET N . 17084 1 698 . 1 1 89 89 GLU HA H 1 3.672 0.020 . 1 . . . . 207 GLU HA . 17084 1 699 . 1 1 89 89 GLU HB2 H 1 2.209 0.020 . 2 . . . . 207 GLU HB2 . 17084 1 700 . 1 1 89 89 GLU HB3 H 1 2.047 0.020 . 2 . . . . 207 GLU HB3 . 17084 1 701 . 1 1 89 89 GLU HG2 H 1 2.549 0.020 . 2 . . . . 207 GLU HG2 . 17084 1 702 . 1 1 89 89 GLU HG3 H 1 2.200 0.020 . 2 . . . . 207 GLU HG3 . 17084 1 703 . 1 1 89 89 GLU CA C 13 60.451 0.3 . 1 . . . . 207 GLU CA . 17084 1 704 . 1 1 89 89 GLU CB C 13 28.131 0.3 . 1 . . . . 207 GLU CB . 17084 1 705 . 1 1 89 89 GLU CG C 13 35.338 0.3 . 1 . . . . 207 GLU CG . 17084 1 706 . 1 1 89 89 GLU N N 15 118.420 0.3 . 1 . . . . 207 GLU N . 17084 1 707 . 1 1 90 90 ARG HA H 1 4.180 0.020 . 1 . . . . 208 ARG HA . 17084 1 708 . 1 1 90 90 ARG HB2 H 1 1.904 0.020 . 2 . . . . 208 ARG HB2 . 17084 1 709 . 1 1 90 90 ARG HB3 H 1 2.074 0.020 . 2 . . . . 208 ARG HB3 . 17084 1 710 . 1 1 90 90 ARG HD2 H 1 3.209 0.020 . 2 . . . . 208 ARG HD2 . 17084 1 711 . 1 1 90 90 ARG HD3 H 1 3.126 0.020 . 2 . . . . 208 ARG HD3 . 17084 1 712 . 1 1 90 90 ARG HE H 1 7.300 0.020 . 1 . . . . 208 ARG HE . 17084 1 713 . 1 1 90 90 ARG HG2 H 1 1.797 0.020 . 2 . . . . 208 ARG HG2 . 17084 1 714 . 1 1 90 90 ARG HG3 H 1 1.739 0.020 . 2 . . . . 208 ARG HG3 . 17084 1 715 . 1 1 90 90 ARG CA C 13 58.265 0.3 . 1 . . . . 208 ARG CA . 17084 1 716 . 1 1 90 90 ARG CB C 13 29.879 0.3 . 1 . . . . 208 ARG CB . 17084 1 717 . 1 1 90 90 ARG CD C 13 42.307 0.3 . 1 . . . . 208 ARG CD . 17084 1 718 . 1 1 90 90 ARG CG C 13 26.784 0.3 . 1 . . . . 208 ARG CG . 17084 1 719 . 1 1 90 90 ARG N N 15 117.093 0.3 . 1 . . . . 208 ARG N . 17084 1 720 . 1 1 90 90 ARG NE N 15 83.297 0.3 . 1 . . . . 208 ARG NE . 17084 1 721 . 1 1 91 91 VAL HA H 1 3.772 0.020 . 1 . . . . 209 VAL HA . 17084 1 722 . 1 1 91 91 VAL HB H 1 2.319 0.020 . 1 . . . . 209 VAL HB . 17084 1 723 . 1 1 91 91 VAL CA C 13 65.891 0.3 . 1 . . . . 209 VAL CA . 17084 1 724 . 1 1 91 91 VAL CB C 13 32.321 0.3 . 1 . . . . 209 VAL CB . 17084 1 725 . 1 1 91 91 VAL CG1 C 13 24.182 0.3 . 1 . . . . 209 VAL CG1 . 17084 1 726 . 1 1 91 91 VAL CG2 C 13 20.954 0.3 . 1 . . . . 209 VAL CG2 . 17084 1 727 . 1 1 91 91 VAL N N 15 119.454 0.3 . 1 . . . . 209 VAL N . 17084 1 728 . 1 1 92 92 VAL HA H 1 3.641 0.020 . 1 . . . . 210 VAL HA . 17084 1 729 . 1 1 92 92 VAL HB H 1 2.256 0.020 . 1 . . . . 210 VAL HB . 17084 1 730 . 1 1 92 92 VAL CA C 13 66.431 0.3 . 1 . . . . 210 VAL CA . 17084 1 731 . 1 1 92 92 VAL CB C 13 31.186 0.3 . 1 . . . . 210 VAL CB . 17084 1 732 . 1 1 92 92 VAL CG1 C 13 24.649 0.3 . 1 . . . . 210 VAL CG1 . 17084 1 733 . 1 1 92 92 VAL CG2 C 13 24.185 0.3 . 1 . . . . 210 VAL CG2 . 17084 1 734 . 1 1 92 92 VAL N N 15 120.773 0.3 . 1 . . . . 210 VAL N . 17084 1 735 . 1 1 93 93 GLU HA H 1 3.595 0.020 . 1 . . . . 211 GLU HA . 17084 1 736 . 1 1 93 93 GLU HB2 H 1 2.223 0.020 . 2 . . . . 211 GLU HB2 . 17084 1 737 . 1 1 93 93 GLU HB3 H 1 2.129 0.020 . 2 . . . . 211 GLU HB3 . 17084 1 738 . 1 1 93 93 GLU HG2 H 1 2.206 0.020 . 2 . . . . 211 GLU HG2 . 17084 1 739 . 1 1 93 93 GLU HG3 H 1 2.154 0.020 . 2 . . . . 211 GLU HG3 . 17084 1 740 . 1 1 93 93 GLU CA C 13 61.070 0.3 . 1 . . . . 211 GLU CA . 17084 1 741 . 1 1 93 93 GLU CB C 13 28.683 0.3 . 1 . . . . 211 GLU CB . 17084 1 742 . 1 1 93 93 GLU CG C 13 35.491 0.3 . 1 . . . . 211 GLU CG . 17084 1 743 . 1 1 93 93 GLU N N 15 120.492 0.3 . 1 . . . . 211 GLU N . 17084 1 744 . 1 1 94 94 GLN HA H 1 3.985 0.020 . 1 . . . . 212 GLN HA . 17084 1 745 . 1 1 94 94 GLN HB2 H 1 2.140 0.020 . 2 . . . . 212 GLN HB2 . 17084 1 746 . 1 1 94 94 GLN HB3 H 1 2.168 0.020 . 2 . . . . 212 GLN HB3 . 17084 1 747 . 1 1 94 94 GLN HE21 H 1 7.434 0.020 . 1 . . . . 212 GLN HE21 . 17084 1 748 . 1 1 94 94 GLN HE22 H 1 6.801 0.020 . 1 . . . . 212 GLN HE22 . 17084 1 749 . 1 1 94 94 GLN HG2 H 1 2.471 0.020 . 2 . . . . 212 GLN HG2 . 17084 1 750 . 1 1 94 94 GLN HG3 H 1 2.400 0.020 . 2 . . . . 212 GLN HG3 . 17084 1 751 . 1 1 94 94 GLN CA C 13 59.101 0.3 . 1 . . . . 212 GLN CA . 17084 1 752 . 1 1 94 94 GLN CB C 13 27.965 0.3 . 1 . . . . 212 GLN CB . 17084 1 753 . 1 1 94 94 GLN CG C 13 33.886 0.3 . 1 . . . . 212 GLN CG . 17084 1 754 . 1 1 94 94 GLN N N 15 115.645 0.3 . 1 . . . . 212 GLN N . 17084 1 755 . 1 1 94 94 GLN NE2 N 15 111.850 0.3 . 1 . . . . 212 GLN NE2 . 17084 1 756 . 1 1 95 95 MET HA H 1 4.146 0.020 . 1 . . . . 213 MET HA . 17084 1 757 . 1 1 95 95 MET HB2 H 1 2.205 0.020 . 2 . . . . 213 MET HB2 . 17084 1 758 . 1 1 95 95 MET HB3 H 1 2.071 0.020 . 2 . . . . 213 MET HB3 . 17084 1 759 . 1 1 95 95 MET HG2 H 1 2.845 0.020 . 2 . . . . 213 MET HG2 . 17084 1 760 . 1 1 95 95 MET HG3 H 1 2.488 0.020 . 2 . . . . 213 MET HG3 . 17084 1 761 . 1 1 95 95 MET CA C 13 59.916 0.3 . 1 . . . . 213 MET CA . 17084 1 762 . 1 1 95 95 MET CB C 13 34.345 0.3 . 1 . . . . 213 MET CB . 17084 1 763 . 1 1 95 95 MET CE C 13 16.836 0.3 . 1 . . . . 213 MET CE . 17084 1 764 . 1 1 95 95 MET CG C 13 32.557 0.3 . 1 . . . . 213 MET CG . 17084 1 765 . 1 1 95 95 MET N N 15 119.411 0.3 . 1 . . . . 213 MET N . 17084 1 766 . 1 1 96 96 CYS HA H 1 4.429 0.020 . 1 . . . . 214 CYS HA . 17084 1 767 . 1 1 96 96 CYS HB2 H 1 3.555 0.020 . 2 . . . . 214 CYS HB2 . 17084 1 768 . 1 1 96 96 CYS HB3 H 1 2.892 0.020 . 2 . . . . 214 CYS HB3 . 17084 1 769 . 1 1 96 96 CYS CA C 13 60.099 0.3 . 1 . . . . 214 CYS CA . 17084 1 770 . 1 1 96 96 CYS CB C 13 41.779 0.3 . 1 . . . . 214 CYS CB . 17084 1 771 . 1 1 96 96 CYS N N 15 119.241 0.3 . 1 . . . . 214 CYS N . 17084 1 772 . 1 1 97 97 VAL HA H 1 3.476 0.020 . 1 . . . . 215 VAL HA . 17084 1 773 . 1 1 97 97 VAL HB H 1 2.300 0.020 . 1 . . . . 215 VAL HB . 17084 1 774 . 1 1 97 97 VAL CA C 13 67.759 0.3 . 1 . . . . 215 VAL CA . 17084 1 775 . 1 1 97 97 VAL CB C 13 31.547 0.3 . 1 . . . . 215 VAL CB . 17084 1 776 . 1 1 97 97 VAL CG1 C 13 23.889 0.3 . 1 . . . . 215 VAL CG1 . 17084 1 777 . 1 1 97 97 VAL CG2 C 13 21.197 0.3 . 1 . . . . 215 VAL CG2 . 17084 1 778 . 1 1 97 97 VAL N N 15 123.531 0.3 . 1 . . . . 215 VAL N . 17084 1 779 . 1 1 98 98 THR HA H 1 3.890 0.020 . 1 . . . . 216 THR HA . 17084 1 780 . 1 1 98 98 THR HB H 1 4.301 0.020 . 1 . . . . 216 THR HB . 17084 1 781 . 1 1 98 98 THR CA C 13 67.028 0.3 . 1 . . . . 216 THR CA . 17084 1 782 . 1 1 98 98 THR CB C 13 68.198 0.3 . 1 . . . . 216 THR CB . 17084 1 783 . 1 1 98 98 THR CG2 C 13 22.219 0.3 . 1 . . . . 216 THR CG2 . 17084 1 784 . 1 1 98 98 THR N N 15 118.286 0.3 . 1 . . . . 216 THR N . 17084 1 785 . 1 1 99 99 GLN HA H 1 3.629 0.020 . 1 . . . . 217 GLN HA . 17084 1 786 . 1 1 99 99 GLN HB2 H 1 2.350 0.020 . 2 . . . . 217 GLN HB2 . 17084 1 787 . 1 1 99 99 GLN HB3 H 1 2.111 0.020 . 2 . . . . 217 GLN HB3 . 17084 1 788 . 1 1 99 99 GLN HE21 H 1 7.224 0.020 . 1 . . . . 217 GLN HE21 . 17084 1 789 . 1 1 99 99 GLN HE22 H 1 6.837 0.020 . 1 . . . . 217 GLN HE22 . 17084 1 790 . 1 1 99 99 GLN HG2 H 1 1.764 0.020 . 2 . . . . 217 GLN HG2 . 17084 1 791 . 1 1 99 99 GLN HG3 H 1 1.624 0.020 . 2 . . . . 217 GLN HG3 . 17084 1 792 . 1 1 99 99 GLN CA C 13 58.686 0.3 . 1 . . . . 217 GLN CA . 17084 1 793 . 1 1 99 99 GLN CB C 13 28.278 0.3 . 1 . . . . 217 GLN CB . 17084 1 794 . 1 1 99 99 GLN CG C 13 32.354 0.3 . 1 . . . . 217 GLN CG . 17084 1 795 . 1 1 99 99 GLN N N 15 122.634 0.3 . 1 . . . . 217 GLN N . 17084 1 796 . 1 1 99 99 GLN NE2 N 15 114.781 0.3 . 1 . . . . 217 GLN NE2 . 17084 1 797 . 1 1 100 100 TYR HA H 1 2.856 0.020 . 1 . . . . 218 TYR HA . 17084 1 798 . 1 1 100 100 TYR HB2 H 1 2.988 0.020 . 2 . . . . 218 TYR HB2 . 17084 1 799 . 1 1 100 100 TYR HB3 H 1 2.708 0.020 . 2 . . . . 218 TYR HB3 . 17084 1 800 . 1 1 100 100 TYR CA C 13 62.045 0.3 . 1 . . . . 218 TYR CA . 17084 1 801 . 1 1 100 100 TYR CB C 13 37.021 0.3 . 1 . . . . 218 TYR CB . 17084 1 802 . 1 1 100 100 TYR CD1 C 13 132.602 0.3 . 1 . . . . 218 TYR CD1 . 17084 1 803 . 1 1 100 100 TYR CE1 C 13 117.556 0.3 . 1 . . . . 218 TYR CE1 . 17084 1 804 . 1 1 100 100 TYR N N 15 120.125 0.3 . 1 . . . . 218 TYR N . 17084 1 805 . 1 1 101 101 GLN HA H 1 3.671 0.020 . 1 . . . . 219 GLN HA . 17084 1 806 . 1 1 101 101 GLN HB2 H 1 2.307 0.020 . 2 . . . . 219 GLN HB2 . 17084 1 807 . 1 1 101 101 GLN HB3 H 1 2.061 0.020 . 2 . . . . 219 GLN HB3 . 17084 1 808 . 1 1 101 101 GLN HE21 H 1 7.431 0.020 . 1 . . . . 219 GLN HE21 . 17084 1 809 . 1 1 101 101 GLN HE22 H 1 6.825 0.020 . 1 . . . . 219 GLN HE22 . 17084 1 810 . 1 1 101 101 GLN HG2 H 1 2.695 0.020 . 2 . . . . 219 GLN HG2 . 17084 1 811 . 1 1 101 101 GLN HG3 H 1 2.466 0.020 . 2 . . . . 219 GLN HG3 . 17084 1 812 . 1 1 101 101 GLN CA C 13 59.001 0.3 . 1 . . . . 219 GLN CA . 17084 1 813 . 1 1 101 101 GLN CB C 13 27.398 0.3 . 1 . . . . 219 GLN CB . 17084 1 814 . 1 1 101 101 GLN CG C 13 33.640 0.3 . 1 . . . . 219 GLN CG . 17084 1 815 . 1 1 101 101 GLN N N 15 119.752 0.3 . 1 . . . . 219 GLN N . 17084 1 816 . 1 1 101 101 GLN NE2 N 15 111.032 0.3 . 1 . . . . 219 GLN NE2 . 17084 1 817 . 1 1 102 102 LYS HA H 1 4.063 0.020 . 1 . . . . 220 LYS HA . 17084 1 818 . 1 1 102 102 LYS HB2 H 1 1.871 0.020 . 2 . . . . 220 LYS HB2 . 17084 1 819 . 1 1 102 102 LYS HB3 H 1 1.826 0.020 . 2 . . . . 220 LYS HB3 . 17084 1 820 . 1 1 102 102 LYS HG2 H 1 1.538 0.020 . 2 . . . . 220 LYS HG2 . 17084 1 821 . 1 1 102 102 LYS HG3 H 1 1.379 0.020 . 2 . . . . 220 LYS HG3 . 17084 1 822 . 1 1 102 102 LYS CA C 13 60.008 0.3 . 1 . . . . 220 LYS CA . 17084 1 823 . 1 1 102 102 LYS CB C 13 32.278 0.3 . 1 . . . . 220 LYS CB . 17084 1 824 . 1 1 102 102 LYS CD C 13 29.296 0.3 . 1 . . . . 220 LYS CD . 17084 1 825 . 1 1 102 102 LYS CE C 13 41.787 0.3 . 1 . . . . 220 LYS CE . 17084 1 826 . 1 1 102 102 LYS CG C 13 24.998 0.3 . 1 . . . . 220 LYS CG . 17084 1 827 . 1 1 102 102 LYS N N 15 119.157 0.3 . 1 . . . . 220 LYS N . 17084 1 828 . 1 1 103 103 GLU HA H 1 4.043 0.020 . 1 . . . . 221 GLU HA . 17084 1 829 . 1 1 103 103 GLU HB2 H 1 2.184 0.020 . 2 . . . . 221 GLU HB2 . 17084 1 830 . 1 1 103 103 GLU HB3 H 1 1.581 0.020 . 2 . . . . 221 GLU HB3 . 17084 1 831 . 1 1 103 103 GLU HG2 H 1 2.135 0.020 . 2 . . . . 221 GLU HG2 . 17084 1 832 . 1 1 103 103 GLU HG3 H 1 2.421 0.020 . 2 . . . . 221 GLU HG3 . 17084 1 833 . 1 1 103 103 GLU CA C 13 57.674 0.3 . 1 . . . . 221 GLU CA . 17084 1 834 . 1 1 103 103 GLU CB C 13 29.487 0.3 . 1 . . . . 221 GLU CB . 17084 1 835 . 1 1 103 103 GLU CG C 13 36.097 0.3 . 1 . . . . 221 GLU CG . 17084 1 836 . 1 1 103 103 GLU N N 15 118.063 0.3 . 1 . . . . 221 GLU N . 17084 1 837 . 1 1 104 104 SER HA H 1 3.925 0.020 . 1 . . . . 222 SER HA . 17084 1 838 . 1 1 104 104 SER HB2 H 1 3.489 0.020 . 2 . . . . 222 SER HB2 . 17084 1 839 . 1 1 104 104 SER HB3 H 1 3.289 0.020 . 2 . . . . 222 SER HB3 . 17084 1 840 . 1 1 104 104 SER CA C 13 61.136 0.3 . 1 . . . . 222 SER CA . 17084 1 841 . 1 1 104 104 SER CB C 13 62.348 0.3 . 1 . . . . 222 SER CB . 17084 1 842 . 1 1 104 104 SER N N 15 115.374 0.3 . 1 . . . . 222 SER N . 17084 1 843 . 1 1 105 105 GLN HA H 1 4.084 0.020 . 1 . . . . 223 GLN HA . 17084 1 844 . 1 1 105 105 GLN HB2 H 1 2.124 0.020 . 2 . . . . 223 GLN HB2 . 17084 1 845 . 1 1 105 105 GLN HB3 H 1 2.084 0.020 . 2 . . . . 223 GLN HB3 . 17084 1 846 . 1 1 105 105 GLN HE21 H 1 7.634 0.020 . 1 . . . . 223 GLN HE21 . 17084 1 847 . 1 1 105 105 GLN HE22 H 1 6.828 0.020 . 1 . . . . 223 GLN HE22 . 17084 1 848 . 1 1 105 105 GLN HG2 H 1 2.460 0.020 . 2 . . . . 223 GLN HG2 . 17084 1 849 . 1 1 105 105 GLN HG3 H 1 2.378 0.020 . 2 . . . . 223 GLN HG3 . 17084 1 850 . 1 1 105 105 GLN CA C 13 58.002 0.3 . 1 . . . . 223 GLN CA . 17084 1 851 . 1 1 105 105 GLN CB C 13 28.423 0.3 . 1 . . . . 223 GLN CB . 17084 1 852 . 1 1 105 105 GLN CG C 13 33.750 0.3 . 1 . . . . 223 GLN CG . 17084 1 853 . 1 1 105 105 GLN N N 15 120.789 0.3 . 1 . . . . 223 GLN N . 17084 1 854 . 1 1 105 105 GLN NE2 N 15 112.932 0.3 . 1 . . . . 223 GLN NE2 . 17084 1 855 . 1 1 106 106 ALA HA H 1 4.179 0.020 . 1 . . . . 224 ALA HA . 17084 1 856 . 1 1 106 106 ALA CA C 13 54.015 0.3 . 1 . . . . 224 ALA CA . 17084 1 857 . 1 1 106 106 ALA CB C 13 18.304 0.3 . 1 . . . . 224 ALA CB . 17084 1 858 . 1 1 106 106 ALA N N 15 120.683 0.3 . 1 . . . . 224 ALA N . 17084 1 859 . 1 1 107 107 TYR HA H 1 4.225 0.020 . 1 . . . . 225 TYR HA . 17084 1 860 . 1 1 107 107 TYR HB2 H 1 2.963 0.020 . 2 . . . . 225 TYR HB2 . 17084 1 861 . 1 1 107 107 TYR HB3 H 1 2.839 0.020 . 2 . . . . 225 TYR HB3 . 17084 1 862 . 1 1 107 107 TYR CA C 13 59.908 0.3 . 1 . . . . 225 TYR CA . 17084 1 863 . 1 1 107 107 TYR CB C 13 38.579 0.3 . 1 . . . . 225 TYR CB . 17084 1 864 . 1 1 107 107 TYR CD1 C 13 133.023 0.3 . 1 . . . . 225 TYR CD1 . 17084 1 865 . 1 1 107 107 TYR CE1 C 13 117.582 0.3 . 1 . . . . 225 TYR CE1 . 17084 1 866 . 1 1 107 107 TYR N N 15 119.233 0.3 . 1 . . . . 225 TYR N . 17084 1 867 . 1 1 108 108 TYR HA H 1 4.236 0.020 . 1 . . . . 226 TYR HA . 17084 1 868 . 1 1 108 108 TYR HB2 H 1 3.122 0.020 . 2 . . . . 226 TYR HB2 . 17084 1 869 . 1 1 108 108 TYR HB3 H 1 2.952 0.020 . 2 . . . . 226 TYR HB3 . 17084 1 870 . 1 1 108 108 TYR CA C 13 59.800 0.3 . 1 . . . . 226 TYR CA . 17084 1 871 . 1 1 108 108 TYR CB C 13 38.033 0.3 . 1 . . . . 226 TYR CB . 17084 1 872 . 1 1 108 108 TYR CD1 C 13 133.276 0.3 . 1 . . . . 226 TYR CD1 . 17084 1 873 . 1 1 108 108 TYR CE1 C 13 117.915 0.3 . 1 . . . . 226 TYR CE1 . 17084 1 874 . 1 1 108 108 TYR N N 15 119.541 0.3 . 1 . . . . 226 TYR N . 17084 1 875 . 1 1 109 109 ASP HA H 1 4.504 0.020 . 1 . . . . 227 ASP HA . 17084 1 876 . 1 1 109 109 ASP CA C 13 54.928 0.3 . 1 . . . . 227 ASP CA . 17084 1 877 . 1 1 109 109 ASP CB C 13 40.389 0.3 . 1 . . . . 227 ASP CB . 17084 1 878 . 1 1 109 109 ASP N N 15 120.713 0.3 . 1 . . . . 227 ASP N . 17084 1 879 . 1 1 110 110 GLY CA C 13 45.519 0.3 . 1 . . . . 228 GLY CA . 17084 1 880 . 1 1 110 110 GLY N N 15 107.948 0.3 . 1 . . . . 228 GLY N . 17084 1 881 . 1 1 111 111 ARG HA H 1 4.298 0.020 . 1 . . . . 229 ARG HA . 17084 1 882 . 1 1 111 111 ARG HB2 H 1 1.705 0.020 . 2 . . . . 229 ARG HB2 . 17084 1 883 . 1 1 111 111 ARG HB3 H 1 1.839 0.020 . 2 . . . . 229 ARG HB3 . 17084 1 884 . 1 1 111 111 ARG HE H 1 7.216 0.020 . 1 . . . . 229 ARG HE . 17084 1 885 . 1 1 111 111 ARG CA C 13 55.972 0.3 . 1 . . . . 229 ARG CA . 17084 1 886 . 1 1 111 111 ARG CB C 13 30.596 0.3 . 1 . . . . 229 ARG CB . 17084 1 887 . 1 1 111 111 ARG CD C 13 43.099 0.3 . 1 . . . . 229 ARG CD . 17084 1 888 . 1 1 111 111 ARG CG C 13 26.892 0.3 . 1 . . . . 229 ARG CG . 17084 1 889 . 1 1 111 111 ARG N N 15 119.958 0.3 . 1 . . . . 229 ARG N . 17084 1 890 . 1 1 111 111 ARG NE N 15 84.684 0.3 . 1 . . . . 229 ARG NE . 17084 1 891 . 1 1 112 112 ARG HA H 1 4.382 0.020 . 1 . . . . 230 ARG HA . 17084 1 892 . 1 1 112 112 ARG HB2 H 1 1.770 0.020 . 2 . . . . 230 ARG HB2 . 17084 1 893 . 1 1 112 112 ARG HB3 H 1 1.887 0.020 . 2 . . . . 230 ARG HB3 . 17084 1 894 . 1 1 112 112 ARG HE H 1 7.207 0.020 . 1 . . . . 230 ARG HE . 17084 1 895 . 1 1 112 112 ARG HG2 H 1 1.645 0.020 . 2 . . . . 230 ARG HG2 . 17084 1 896 . 1 1 112 112 ARG HG3 H 1 1.604 0.020 . 2 . . . . 230 ARG HG3 . 17084 1 897 . 1 1 112 112 ARG CA C 13 55.913 0.3 . 1 . . . . 230 ARG CA . 17084 1 898 . 1 1 112 112 ARG CB C 13 30.877 0.3 . 1 . . . . 230 ARG CB . 17084 1 899 . 1 1 112 112 ARG CD C 13 43.160 0.3 . 1 . . . . 230 ARG CD . 17084 1 900 . 1 1 112 112 ARG CG C 13 26.997 0.3 . 1 . . . . 230 ARG CG . 17084 1 901 . 1 1 112 112 ARG N N 15 121.870 0.3 . 1 . . . . 230 ARG N . 17084 1 902 . 1 1 112 112 ARG NE N 15 84.720 0.3 . 1 . . . . 230 ARG NE . 17084 1 903 . 1 1 113 113 SER HA H 1 4.500 0.020 . 1 . . . . 231 SER HA . 17084 1 904 . 1 1 113 113 SER HB2 H 1 3.905 0.020 . 2 . . . . 231 SER HB2 . 17084 1 905 . 1 1 113 113 SER HB3 H 1 3.864 0.020 . 2 . . . . 231 SER HB3 . 17084 1 906 . 1 1 113 113 SER CA C 13 58.163 0.3 . 1 . . . . 231 SER CA . 17084 1 907 . 1 1 113 113 SER CB C 13 63.844 0.3 . 1 . . . . 231 SER CB . 17084 1 908 . 1 1 113 113 SER N N 15 117.546 0.3 . 1 . . . . 231 SER N . 17084 1 909 . 1 1 114 114 SER HA H 1 4.278 0.020 . 1 . . . . 232 SER HA . 17084 1 910 . 1 1 114 114 SER CA C 13 59.865 0.3 . 1 . . . . 232 SER CA . 17084 1 911 . 1 1 114 114 SER CB C 13 64.623 0.3 . 1 . . . . 232 SER CB . 17084 1 912 . 1 1 114 114 SER N N 15 122.890 0.3 . 1 . . . . 232 SER N . 17084 1 stop_ save_