data_16722 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16722 _Entry.Title ; mPrP_D167S ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-02-12 _Entry.Accession_date 2010-02-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _Entry.Details 'mouse prion protein mutant D167S' _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 Daniel Perez . R. . 16722 2 Fred Damberger . F. . 16722 3 Kurt Wuthrich . . . 16722 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 . 'not applicable' 'not applicable' . 16722 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID mouse . 16722 mPrP_D167S . 16722 prion . 16722 protein . 16722 variant . 16722 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16722 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 367 16722 '15N chemical shifts' 134 16722 '1H chemical shifts' 790 16722 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-08-12 2010-02-12 update BMRB 'Complete entry citation' 16722 1 . . 2010-05-18 2010-02-12 original author 'original release' 16722 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16720 'Horse prion protein' 16722 BMRB 16723 'mouse prion protein double mutant D167S, N173K' 16722 PDB 2KU5 'BMRB Entry Tracking System' 16722 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16722 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20460128 _Citation.Full_citation . _Citation.Title 'Horse prion protein NMR structure and comparisons with related variants of the mouse prion protein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 400 _Citation.Journal_issue 2 _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 121 _Citation.Page_last 128 _Citation.Year 2010 _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 Daniel Perez . R. . 16722 1 2 Fred Damberger . F. . 16722 1 3 Kurt Wuthrich . . . 16722 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16722 _Assembly.ID 1 _Assembly.Name 'mouse prion protein double mutant D167S, N173K' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'mouse prion protein double mutant D167S, N173K' 1 $entity A . yes native no no . . . 16722 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 60 60 SG . 1 . 1 CYS 95 95 SG . . . . . . . . . . 16722 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16722 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'mouse prion protein double mutant D167S, N173K' _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 ; SVVGGLGGYMLGSAMSRPMI HFGNDWEDRYYRENMYRYPN QVYYRPVSQYSNQNNFVHDC VNITIKQHTVTTTTKGENFT ETDVKMMERVVEQMCVTQYQ KESQAYYDGRRSS ; _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 113 _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 13203.797 _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 98.23 99.12 1.34e-76 . . . . 16722 1 2 no BMRB 16071 . mPrP90 . . . . . 99.12 144 98.21 99.11 1.64e-76 . . . . 16722 1 3 no BMRB 16075 . mPrP90_M129V . . . . . 99.12 141 97.32 99.11 7.64e-76 . . . . 16722 1 4 no BMRB 16076 . mPrP90_P102L . . . . . 99.12 141 98.21 99.11 1.42e-76 . . . . 16722 1 5 no BMRB 16077 . mPrP90_P105L . . . . . 99.12 141 98.21 99.11 1.42e-76 . . . . 16722 1 6 no BMRB 16078 . mPrP90_A117V . . . . . 99.12 142 98.21 99.11 2.40e-76 . . . . 16722 1 7 no BMRB 16079 . mPrP90_3AV . . . . . 99.12 142 98.21 99.11 4.28e-76 . . . . 16722 1 8 no BMRB 16080 . mPrP90_2II . . . . . 99.12 142 98.21 99.11 2.20e-76 . . . . 16722 1 9 no BMRB 16184 . mpp_121-231 . . . . . 100.00 114 97.35 97.35 1.63e-75 . . . . 16722 1 10 no BMRB 16185 . mpp_121-231 . . . . . 100.00 114 98.23 98.23 9.16e-77 . . . . 16722 1 11 no BMRB 16723 . "mouse prion protein double mutant D167S, N173K" . . . . . 100.00 113 99.12 99.12 3.43e-77 . . . . 16722 1 12 no BMRB 17081 . "Prion with Y169G mutation" . . . . . 100.00 114 98.23 98.23 6.97e-76 . . . . 16722 1 13 no BMRB 17082 . mPrP121-231_F175A . . . . . 100.00 114 98.23 98.23 4.08e-76 . . . . 16722 1 14 no BMRB 17084 . prion . . . . . 100.00 114 99.12 99.12 3.39e-77 . . . . 16722 1 15 no BMRB 17174 . Mouse_prion . . . . . 100.00 114 99.12 99.12 3.39e-77 . . . . 16722 1 16 no BMRB 17213 . entity . . . . . 100.00 114 98.23 98.23 2.98e-76 . . . . 16722 1 17 no BMRB 17758 . mPrP(121-232) . . . . . 100.00 114 99.12 99.12 3.39e-77 . . . . 16722 1 18 no BMRB 17759 . mPrP(121-232) . . . . . 100.00 114 97.35 97.35 1.80e-74 . . . . 16722 1 19 no PDB 1AG2 . "Prion Protein Domain Prp(121-231) From Mouse, Nmr, 2 Minimized Average Structure" . . . . . 90.27 103 99.02 99.02 4.93e-69 . . . . 16722 1 20 no PDB 1XYX . "Mouse Prion Protein Fragment 121-231" . . . . . 99.12 112 99.11 99.11 1.42e-76 . . . . 16722 1 21 no PDB 1Y15 . "Mouse Prion Protein With Mutation N174t" . . . . . 99.12 112 98.21 98.21 9.38e-76 . . . . 16722 1 22 no PDB 1Y16 . "Mouse Prion Protein With Mutations S170n And N174t" . . . . . 99.12 112 97.32 98.21 4.14e-75 . . . . 16722 1 23 no PDB 2K5O . "Mouse Prion Protein (121-231) With Mutation S170n" . . . . . 100.00 114 98.23 99.12 1.34e-76 . . . . 16722 1 24 no PDB 2KFM . "Mouse Prion Protein (121-231) With Mutations Y225a And Y226a" . . . . . 100.00 114 97.35 97.35 1.63e-75 . . . . 16722 1 25 no PDB 2KFO . "Mouse Prion Protein (121-231) With Mutation V166a" . . . . . 100.00 114 98.23 98.23 9.16e-77 . . . . 16722 1 26 no PDB 2KU5 . "Mouse Prion Protein (121-231) With Mutation D167s" . . . . . 100.00 113 100.00 100.00 4.13e-78 . . . . 16722 1 27 no PDB 2KU6 . "Mouse Prion Protein (121-231) With Mutations D167s And N173k" . . . . . 100.00 113 99.12 99.12 3.43e-77 . . . . 16722 1 28 no PDB 2L1D . "Mouse Prion Protein (121-231) Containing The Substitution Y169g" . . . . . 100.00 114 98.23 98.23 6.97e-76 . . . . 16722 1 29 no PDB 2L1E . "Mouse Prion Protein (121-231) Containing The Substitution F175a" . . . . . 100.00 114 98.23 98.23 4.08e-76 . . . . 16722 1 30 no PDB 2L1H . "Mouse Prion Protein Fragment 121-231 At 20 C" . . . . . 100.00 114 99.12 99.12 3.39e-77 . . . . 16722 1 31 no PDB 2L39 . "Mouse Prion Protein Fragment 121-231 At 37 C" . . . . . 100.00 114 99.12 99.12 3.39e-77 . . . . 16722 1 32 no PDB 2L40 . "Mouse Prion Protein (121-231) Containing The Substitution Y169a" . . . . . 100.00 114 98.23 98.23 2.98e-76 . . . . 16722 1 33 no PDB 4H88 . "Structure Of Pom1 Fab Fragment Complexed With Mouse Prpc Fragment 120- 230" . . . . . 98.23 111 98.20 98.20 3.41e-75 . . . . 16722 1 34 no PDB 4MA7 . "Crystal Structure Of Mouse Prion Protein Complexed With Promazine" . . . . . 98.23 114 98.20 99.10 1.02e-75 . . . . 16722 1 35 no PDB 4MA8 . "Crystal Structure Of Mouse Prion Protein Complexed With Chlorpromazine" . . . . . 98.23 114 98.20 99.10 1.02e-75 . . . . 16722 1 36 no DBJ BAA08790 . "prion protein [Rattus norvegicus]" . . . . . 100.00 254 97.35 99.12 1.14e-75 . . . . 16722 1 37 no DBJ BAE28320 . "unnamed protein product [Mus musculus]" . . . . . 100.00 254 97.35 99.12 9.05e-76 . . . . 16722 1 38 no DBJ BAE28693 . "unnamed protein product [Mus musculus]" . . . . . 100.00 254 97.35 98.23 3.02e-75 . . . . 16722 1 39 no DBJ BAE29994 . "unnamed protein product [Mus musculus]" . . . . . 100.00 254 97.35 98.23 2.80e-75 . . . . 16722 1 40 no DBJ BAE34221 . "unnamed protein product [Mus musculus]" . . . . . 100.00 254 98.23 99.12 6.05e-76 . . . . 16722 1 41 no EMBL CAJ18553 . "Prnp [Mus musculus]" . . . . . 100.00 254 98.23 99.12 4.87e-76 . . . . 16722 1 42 no GB AAA39996 . "prion protein [Mus musculus]" . . . . . 100.00 254 97.35 99.12 2.65e-75 . . . . 16722 1 43 no GB AAA39997 . "prion protein [Mus musculus]" . . . . . 100.00 254 98.23 99.12 4.87e-76 . . . . 16722 1 44 no GB AAA39998 . "prion protein [Mus musculus]" . . . . . 100.00 254 97.35 98.23 2.62e-75 . . . . 16722 1 45 no GB AAA41947 . "prion-related protein, partial [Rattus norvegicus]" . . . . . 100.00 226 97.35 99.12 3.06e-76 . . . . 16722 1 46 no GB AAB30728 . "prion protein [Rattus norvegicus]" . . . . . 100.00 254 97.35 99.12 1.14e-75 . . . . 16722 1 47 no REF NP_001265185 . "major prion protein precursor [Mus musculus]" . . . . . 100.00 254 98.23 99.12 4.87e-76 . . . . 16722 1 48 no REF NP_035300 . "major prion protein precursor [Mus musculus]" . . . . . 100.00 254 98.23 99.12 4.87e-76 . . . . 16722 1 49 no REF NP_036763 . "major prion protein precursor [Rattus norvegicus]" . . . . . 100.00 254 97.35 99.12 1.14e-75 . . . . 16722 1 50 no REF XP_006235124 . "PREDICTED: major prion protein isoform X1 [Rattus norvegicus]" . . . . . 100.00 254 97.35 99.12 1.14e-75 . . . . 16722 1 51 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 98.23 99.12 4.87e-76 . . . . 16722 1 52 no SP P13852 . "RecName: Full=Major prion protein; Short=PrP; AltName: CD_antigen=CD230; Flags: Precursor" . . . . . 100.00 254 97.35 99.12 1.14e-75 . . . . 16722 1 53 no SP Q9Z0T3 . "RecName: Full=Major prion protein; Short=PrP; AltName: CD_antigen=CD230; Flags: Precursor" . . . . . 100.00 254 97.35 99.12 1.61e-75 . . . . 16722 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 1 120 SER . 16722 1 2 121 VAL . 16722 1 3 122 VAL . 16722 1 4 123 GLY . 16722 1 5 124 GLY . 16722 1 6 125 LEU . 16722 1 7 126 GLY . 16722 1 8 127 GLY . 16722 1 9 128 TYR . 16722 1 10 129 MET . 16722 1 11 130 LEU . 16722 1 12 131 GLY . 16722 1 13 132 SER . 16722 1 14 133 ALA . 16722 1 15 134 MET . 16722 1 16 135 SER . 16722 1 17 136 ARG . 16722 1 18 137 PRO . 16722 1 19 138 MET . 16722 1 20 139 ILE . 16722 1 21 140 HIS . 16722 1 22 141 PHE . 16722 1 23 142 GLY . 16722 1 24 143 ASN . 16722 1 25 144 ASP . 16722 1 26 145 TRP . 16722 1 27 146 GLU . 16722 1 28 147 ASP . 16722 1 29 148 ARG . 16722 1 30 149 TYR . 16722 1 31 150 TYR . 16722 1 32 151 ARG . 16722 1 33 152 GLU . 16722 1 34 153 ASN . 16722 1 35 154 MET . 16722 1 36 155 TYR . 16722 1 37 156 ARG . 16722 1 38 157 TYR . 16722 1 39 158 PRO . 16722 1 40 159 ASN . 16722 1 41 160 GLN . 16722 1 42 161 VAL . 16722 1 43 162 TYR . 16722 1 44 163 TYR . 16722 1 45 164 ARG . 16722 1 46 165 PRO . 16722 1 47 166 VAL . 16722 1 48 167 SER . 16722 1 49 168 GLN . 16722 1 50 169 TYR . 16722 1 51 170 SER . 16722 1 52 171 ASN . 16722 1 53 172 GLN . 16722 1 54 173 ASN . 16722 1 55 174 ASN . 16722 1 56 175 PHE . 16722 1 57 176 VAL . 16722 1 58 177 HIS . 16722 1 59 178 ASP . 16722 1 60 179 CYS . 16722 1 61 180 VAL . 16722 1 62 181 ASN . 16722 1 63 182 ILE . 16722 1 64 183 THR . 16722 1 65 184 ILE . 16722 1 66 185 LYS . 16722 1 67 186 GLN . 16722 1 68 187 HIS . 16722 1 69 188 THR . 16722 1 70 189 VAL . 16722 1 71 190 THR . 16722 1 72 191 THR . 16722 1 73 192 THR . 16722 1 74 193 THR . 16722 1 75 194 LYS . 16722 1 76 195 GLY . 16722 1 77 196 GLU . 16722 1 78 197 ASN . 16722 1 79 198 PHE . 16722 1 80 199 THR . 16722 1 81 200 GLU . 16722 1 82 201 THR . 16722 1 83 202 ASP . 16722 1 84 203 VAL . 16722 1 85 204 LYS . 16722 1 86 205 MET . 16722 1 87 206 MET . 16722 1 88 207 GLU . 16722 1 89 208 ARG . 16722 1 90 209 VAL . 16722 1 91 210 VAL . 16722 1 92 211 GLU . 16722 1 93 212 GLN . 16722 1 94 213 MET . 16722 1 95 214 CYS . 16722 1 96 215 VAL . 16722 1 97 216 THR . 16722 1 98 217 GLN . 16722 1 99 218 TYR . 16722 1 100 219 GLN . 16722 1 101 220 LYS . 16722 1 102 221 GLU . 16722 1 103 222 SER . 16722 1 104 223 GLN . 16722 1 105 224 ALA . 16722 1 106 225 TYR . 16722 1 107 226 TYR . 16722 1 108 227 ASP . 16722 1 109 228 GLY . 16722 1 110 229 ARG . 16722 1 111 230 ARG . 16722 1 112 231 SER . 16722 1 113 232 SER . 16722 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 . SER 1 1 16722 1 . VAL 2 2 16722 1 . VAL 3 3 16722 1 . GLY 4 4 16722 1 . GLY 5 5 16722 1 . LEU 6 6 16722 1 . GLY 7 7 16722 1 . GLY 8 8 16722 1 . TYR 9 9 16722 1 . MET 10 10 16722 1 . LEU 11 11 16722 1 . GLY 12 12 16722 1 . SER 13 13 16722 1 . ALA 14 14 16722 1 . MET 15 15 16722 1 . SER 16 16 16722 1 . ARG 17 17 16722 1 . PRO 18 18 16722 1 . MET 19 19 16722 1 . ILE 20 20 16722 1 . HIS 21 21 16722 1 . PHE 22 22 16722 1 . GLY 23 23 16722 1 . ASN 24 24 16722 1 . ASP 25 25 16722 1 . TRP 26 26 16722 1 . GLU 27 27 16722 1 . ASP 28 28 16722 1 . ARG 29 29 16722 1 . TYR 30 30 16722 1 . TYR 31 31 16722 1 . ARG 32 32 16722 1 . GLU 33 33 16722 1 . ASN 34 34 16722 1 . MET 35 35 16722 1 . TYR 36 36 16722 1 . ARG 37 37 16722 1 . TYR 38 38 16722 1 . PRO 39 39 16722 1 . ASN 40 40 16722 1 . GLN 41 41 16722 1 . VAL 42 42 16722 1 . TYR 43 43 16722 1 . TYR 44 44 16722 1 . ARG 45 45 16722 1 . PRO 46 46 16722 1 . VAL 47 47 16722 1 . SER 48 48 16722 1 . GLN 49 49 16722 1 . TYR 50 50 16722 1 . SER 51 51 16722 1 . ASN 52 52 16722 1 . GLN 53 53 16722 1 . ASN 54 54 16722 1 . ASN 55 55 16722 1 . PHE 56 56 16722 1 . VAL 57 57 16722 1 . HIS 58 58 16722 1 . ASP 59 59 16722 1 . CYS 60 60 16722 1 . VAL 61 61 16722 1 . ASN 62 62 16722 1 . ILE 63 63 16722 1 . THR 64 64 16722 1 . ILE 65 65 16722 1 . LYS 66 66 16722 1 . GLN 67 67 16722 1 . HIS 68 68 16722 1 . THR 69 69 16722 1 . VAL 70 70 16722 1 . THR 71 71 16722 1 . THR 72 72 16722 1 . THR 73 73 16722 1 . THR 74 74 16722 1 . LYS 75 75 16722 1 . GLY 76 76 16722 1 . GLU 77 77 16722 1 . ASN 78 78 16722 1 . PHE 79 79 16722 1 . THR 80 80 16722 1 . GLU 81 81 16722 1 . THR 82 82 16722 1 . ASP 83 83 16722 1 . VAL 84 84 16722 1 . LYS 85 85 16722 1 . MET 86 86 16722 1 . MET 87 87 16722 1 . GLU 88 88 16722 1 . ARG 89 89 16722 1 . VAL 90 90 16722 1 . VAL 91 91 16722 1 . GLU 92 92 16722 1 . GLN 93 93 16722 1 . MET 94 94 16722 1 . CYS 95 95 16722 1 . VAL 96 96 16722 1 . THR 97 97 16722 1 . GLN 98 98 16722 1 . TYR 99 99 16722 1 . GLN 100 100 16722 1 . LYS 101 101 16722 1 . GLU 102 102 16722 1 . SER 103 103 16722 1 . GLN 104 104 16722 1 . ALA 105 105 16722 1 . TYR 106 106 16722 1 . TYR 107 107 16722 1 . ASP 108 108 16722 1 . GLY 109 109 16722 1 . ARG 110 110 16722 1 . ARG 111 111 16722 1 . SER 112 112 16722 1 . SER 113 113 16722 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 16722 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 10090 organism . 'Mus musculus' mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 16722 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 16722 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Bl21 (DE3)' . . . . . . . . . . . . . . . pRSET . . . . . . 16722 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16722 _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 'sodium acetate' [U-2H] . . . . . . 10 . . mM 1 . . . 16722 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16722 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16722 1 4 entity 'natural abundance' . . 1 $entity . . 1.3 . . mM . . . . 16722 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 16722 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 10 . mM 16722 1 pH 4.5 0.1 pH 16722 1 pressure 1 . atm 16722 1 temperature 298 . K 16722 1 stop_ save_ ############################ # Computer software used # ############################ save_ATNOS-CANDID _Software.Sf_category software _Software.Sf_framecode ATNOS-CANDID _Software.Entry_ID 16722 _Software.ID 1 _Software.Name ATHNOS-CANDID _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann and Wuthrich' . . 16722 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'automatic peak picking and NOE assignment' 16722 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16722 _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 16722 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16722 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'equipped with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 16722 _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 . . . 16722 1 2 spectrometer_2 Bruker DRX . 600 . . . 16722 1 3 spectrometer_3 Bruker DRX . 500 'equipped with cryoprobe' . . 16722 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 16722 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16722 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16722 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16722 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16722 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16722 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 16722 _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 0.25145 . . . . . . . . . 16722 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 16722 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.10133 . . . . . . . . . 16722 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 16722 _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 . _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' . . . 16722 1 2 '3D HNCA' . . . 16722 1 4 '3D HNCACB' . . . 16722 1 5 '3D 1H-13C NOESY' . . . 16722 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 SER H H 1 8.559 0.020 . 1 . . . . 120 SER H . 16722 1 2 . 1 1 1 1 SER HA H 1 4.507 0.020 . 1 . . . . 120 SER HA . 16722 1 3 . 1 1 1 1 SER HB2 H 1 3.750 0.020 . 1 . . . . 120 SER HB2 . 16722 1 4 . 1 1 1 1 SER HB3 H 1 3.750 0.020 . 1 . . . . 120 SER HB3 . 16722 1 5 . 1 1 1 1 SER CA C 13 57.620 0.3 . 1 . . . . 120 SER CA . 16722 1 6 . 1 1 1 1 SER CB C 13 63.464 0.3 . 1 . . . . 120 SER CB . 16722 1 7 . 1 1 1 1 SER N N 15 115.580 0.3 . 1 . . . . 120 SER N . 16722 1 8 . 1 1 2 2 VAL H H 1 8.287 0.020 . 1 . . . . 121 VAL H . 16722 1 9 . 1 1 2 2 VAL HA H 1 4.098 0.020 . 1 . . . . 121 VAL HA . 16722 1 10 . 1 1 2 2 VAL HB H 1 1.961 0.020 . 1 . . . . 121 VAL HB . 16722 1 11 . 1 1 2 2 VAL HG11 H 1 0.826 0.020 . 2 . . . . 121 VAL HG1 . 16722 1 12 . 1 1 2 2 VAL HG12 H 1 0.826 0.020 . 2 . . . . 121 VAL HG1 . 16722 1 13 . 1 1 2 2 VAL HG13 H 1 0.826 0.020 . 2 . . . . 121 VAL HG1 . 16722 1 14 . 1 1 2 2 VAL HG21 H 1 0.791 0.020 . 2 . . . . 121 VAL HG2 . 16722 1 15 . 1 1 2 2 VAL HG22 H 1 0.791 0.020 . 2 . . . . 121 VAL HG2 . 16722 1 16 . 1 1 2 2 VAL HG23 H 1 0.791 0.020 . 2 . . . . 121 VAL HG2 . 16722 1 17 . 1 1 2 2 VAL CA C 13 61.723 0.3 . 1 . . . . 121 VAL CA . 16722 1 18 . 1 1 2 2 VAL CB C 13 32.424 0.3 . 1 . . . . 121 VAL CB . 16722 1 19 . 1 1 2 2 VAL CG1 C 13 20.209 0.3 . 1 . . . . 121 VAL CG1 . 16722 1 20 . 1 1 2 2 VAL CG2 C 13 20.884 0.3 . 1 . . . . 121 VAL CG2 . 16722 1 21 . 1 1 2 2 VAL N N 15 122.056 0.3 . 1 . . . . 121 VAL N . 16722 1 22 . 1 1 3 3 VAL H H 1 8.224 0.020 . 1 . . . . 122 VAL H . 16722 1 23 . 1 1 3 3 VAL HA H 1 4.012 0.020 . 1 . . . . 122 VAL HA . 16722 1 24 . 1 1 3 3 VAL HB H 1 1.945 0.020 . 1 . . . . 122 VAL HB . 16722 1 25 . 1 1 3 3 VAL HG11 H 1 0.842 0.020 . 2 . . . . 122 VAL HG1 . 16722 1 26 . 1 1 3 3 VAL HG12 H 1 0.842 0.020 . 2 . . . . 122 VAL HG1 . 16722 1 27 . 1 1 3 3 VAL HG13 H 1 0.842 0.020 . 2 . . . . 122 VAL HG1 . 16722 1 28 . 1 1 3 3 VAL HG21 H 1 0.821 0.020 . 2 . . . . 122 VAL HG2 . 16722 1 29 . 1 1 3 3 VAL HG22 H 1 0.821 0.020 . 2 . . . . 122 VAL HG2 . 16722 1 30 . 1 1 3 3 VAL HG23 H 1 0.821 0.020 . 2 . . . . 122 VAL HG2 . 16722 1 31 . 1 1 3 3 VAL CA C 13 61.846 0.3 . 1 . . . . 122 VAL CA . 16722 1 32 . 1 1 3 3 VAL CB C 13 32.332 0.3 . 1 . . . . 122 VAL CB . 16722 1 33 . 1 1 3 3 VAL CG1 C 13 20.420 0.3 . 1 . . . . 122 VAL CG1 . 16722 1 34 . 1 1 3 3 VAL CG2 C 13 20.878 0.3 . 1 . . . . 122 VAL CG2 . 16722 1 35 . 1 1 3 3 VAL N N 15 124.712 0.3 . 1 . . . . 122 VAL N . 16722 1 36 . 1 1 4 4 GLY H H 1 8.474 0.020 . 1 . . . . 123 GLY H . 16722 1 37 . 1 1 4 4 GLY HA2 H 1 3.867 0.020 . 1 . . . . 123 GLY HA2 . 16722 1 38 . 1 1 4 4 GLY HA3 H 1 3.867 0.020 . 1 . . . . 123 GLY HA3 . 16722 1 39 . 1 1 4 4 GLY CA C 13 44.805 0.3 . 1 . . . . 123 GLY CA . 16722 1 40 . 1 1 4 4 GLY N N 15 113.194 0.3 . 1 . . . . 123 GLY N . 16722 1 41 . 1 1 5 5 GLY H H 1 8.201 0.020 . 1 . . . . 124 GLY H . 16722 1 42 . 1 1 5 5 GLY HA2 H 1 3.873 0.020 . 1 . . . . 124 GLY HA2 . 16722 1 43 . 1 1 5 5 GLY HA3 H 1 3.873 0.020 . 1 . . . . 124 GLY HA3 . 16722 1 44 . 1 1 5 5 GLY CA C 13 44.874 0.3 . 1 . . . . 124 GLY CA . 16722 1 45 . 1 1 5 5 GLY N N 15 108.438 0.3 . 1 . . . . 124 GLY N . 16722 1 46 . 1 1 6 6 LEU H H 1 8.158 0.020 . 1 . . . . 125 LEU H . 16722 1 47 . 1 1 6 6 LEU HA H 1 4.274 0.020 . 1 . . . . 125 LEU HA . 16722 1 48 . 1 1 6 6 LEU HB2 H 1 1.462 0.020 . 2 . . . . 125 LEU HB2 . 16722 1 49 . 1 1 6 6 LEU HB3 H 1 1.534 0.020 . 2 . . . . 125 LEU HB3 . 16722 1 50 . 1 1 6 6 LEU HD11 H 1 0.625 0.020 . 2 . . . . 125 LEU HD1 . 16722 1 51 . 1 1 6 6 LEU HD12 H 1 0.625 0.020 . 2 . . . . 125 LEU HD1 . 16722 1 52 . 1 1 6 6 LEU HD13 H 1 0.625 0.020 . 2 . . . . 125 LEU HD1 . 16722 1 53 . 1 1 6 6 LEU HD21 H 1 0.520 0.020 . 2 . . . . 125 LEU HD2 . 16722 1 54 . 1 1 6 6 LEU HD22 H 1 0.520 0.020 . 2 . . . . 125 LEU HD2 . 16722 1 55 . 1 1 6 6 LEU HD23 H 1 0.520 0.020 . 2 . . . . 125 LEU HD2 . 16722 1 56 . 1 1 6 6 LEU HG H 1 1.428 0.020 . 1 . . . . 125 LEU HG . 16722 1 57 . 1 1 6 6 LEU CA C 13 54.489 0.3 . 1 . . . . 125 LEU CA . 16722 1 58 . 1 1 6 6 LEU CB C 13 41.990 0.3 . 1 . . . . 125 LEU CB . 16722 1 59 . 1 1 6 6 LEU CD1 C 13 24.414 0.3 . 1 . . . . 125 LEU CD1 . 16722 1 60 . 1 1 6 6 LEU CD2 C 13 23.203 0.3 . 1 . . . . 125 LEU CD2 . 16722 1 61 . 1 1 6 6 LEU CG C 13 26.604 0.3 . 1 . . . . 125 LEU CG . 16722 1 62 . 1 1 6 6 LEU N N 15 121.537 0.3 . 1 . . . . 125 LEU N . 16722 1 63 . 1 1 7 7 GLY H H 1 8.451 0.020 . 1 . . . . 126 GLY H . 16722 1 64 . 1 1 7 7 GLY HA2 H 1 3.823 0.020 . 1 . . . . 126 GLY HA2 . 16722 1 65 . 1 1 7 7 GLY CA C 13 45.777 0.3 . 1 . . . . 126 GLY CA . 16722 1 66 . 1 1 7 7 GLY N N 15 109.628 0.3 . 1 . . . . 126 GLY N . 16722 1 67 . 1 1 8 8 GLY H H 1 8.264 0.020 . 1 . . . . 127 GLY H . 16722 1 68 . 1 1 8 8 GLY HA2 H 1 3.830 0.020 . 1 . . . . 127 GLY HA2 . 16722 1 69 . 1 1 8 8 GLY CA C 13 44.672 0.3 . 1 . . . . 127 GLY CA . 16722 1 70 . 1 1 8 8 GLY N N 15 108.906 0.3 . 1 . . . . 127 GLY N . 16722 1 71 . 1 1 9 9 TYR H H 1 7.659 0.020 . 1 . . . . 128 TYR H . 16722 1 72 . 1 1 9 9 TYR HA H 1 4.368 0.020 . 1 . . . . 128 TYR HA . 16722 1 73 . 1 1 9 9 TYR HB2 H 1 2.832 0.020 . 2 . . . . 128 TYR HB2 . 16722 1 74 . 1 1 9 9 TYR HB3 H 1 2.766 0.020 . 2 . . . . 128 TYR HB3 . 16722 1 75 . 1 1 9 9 TYR HD1 H 1 6.770 0.020 . 1 . . . . 128 TYR HD1 . 16722 1 76 . 1 1 9 9 TYR HD2 H 1 6.770 0.020 . 1 . . . . 128 TYR HD2 . 16722 1 77 . 1 1 9 9 TYR HE1 H 1 6.552 0.020 . 1 . . . . 128 TYR HE1 . 16722 1 78 . 1 1 9 9 TYR HE2 H 1 6.552 0.020 . 1 . . . . 128 TYR HE2 . 16722 1 79 . 1 1 9 9 TYR CA C 13 57.602 0.3 . 1 . . . . 128 TYR CA . 16722 1 80 . 1 1 9 9 TYR CB C 13 39.712 0.3 . 1 . . . . 128 TYR CB . 16722 1 81 . 1 1 9 9 TYR CD1 C 13 132.848 0.3 . 1 . . . . 128 TYR CD1 . 16722 1 82 . 1 1 9 9 TYR CE1 C 13 118.260 0.3 . 1 . . . . 128 TYR CE1 . 16722 1 83 . 1 1 9 9 TYR N N 15 117.655 0.3 . 1 . . . . 128 TYR N . 16722 1 84 . 1 1 10 10 MET H H 1 8.966 0.020 . 1 . . . . 129 MET H . 16722 1 85 . 1 1 10 10 MET HA H 1 4.418 0.020 . 1 . . . . 129 MET HA . 16722 1 86 . 1 1 10 10 MET HB2 H 1 0.931 0.020 . 2 . . . . 129 MET HB2 . 16722 1 87 . 1 1 10 10 MET HB3 H 1 1.499 0.020 . 2 . . . . 129 MET HB3 . 16722 1 88 . 1 1 10 10 MET HE1 H 1 1.895 0.020 . 1 . . . . 129 MET HE . 16722 1 89 . 1 1 10 10 MET HE2 H 1 1.895 0.020 . 1 . . . . 129 MET HE . 16722 1 90 . 1 1 10 10 MET HE3 H 1 1.895 0.020 . 1 . . . . 129 MET HE . 16722 1 91 . 1 1 10 10 MET HG2 H 1 2.152 0.020 . 2 . . . . 129 MET HG2 . 16722 1 92 . 1 1 10 10 MET HG3 H 1 2.120 0.020 . 2 . . . . 129 MET HG3 . 16722 1 93 . 1 1 10 10 MET CA C 13 53.337 0.3 . 1 . . . . 129 MET CA . 16722 1 94 . 1 1 10 10 MET CB C 13 34.235 0.3 . 1 . . . . 129 MET CB . 16722 1 95 . 1 1 10 10 MET CE C 13 17.025 0.3 . 1 . . . . 129 MET CE . 16722 1 96 . 1 1 10 10 MET CG C 13 31.581 0.3 . 1 . . . . 129 MET CG . 16722 1 97 . 1 1 10 10 MET N N 15 121.068 0.3 . 1 . . . . 129 MET N . 16722 1 98 . 1 1 11 11 LEU H H 1 8.002 0.020 . 1 . . . . 130 LEU H . 16722 1 99 . 1 1 11 11 LEU HA H 1 4.362 0.020 . 1 . . . . 130 LEU HA . 16722 1 100 . 1 1 11 11 LEU HB2 H 1 0.879 0.020 . 2 . . . . 130 LEU HB2 . 16722 1 101 . 1 1 11 11 LEU HB3 H 1 1.509 0.020 . 2 . . . . 130 LEU HB3 . 16722 1 102 . 1 1 11 11 LEU HD11 H 1 -0.087 0.020 . 2 . . . . 130 LEU HD1 . 16722 1 103 . 1 1 11 11 LEU HD12 H 1 -0.087 0.020 . 2 . . . . 130 LEU HD1 . 16722 1 104 . 1 1 11 11 LEU HD13 H 1 -0.087 0.020 . 2 . . . . 130 LEU HD1 . 16722 1 105 . 1 1 11 11 LEU HD21 H 1 0.543 0.020 . 2 . . . . 130 LEU HD2 . 16722 1 106 . 1 1 11 11 LEU HD22 H 1 0.543 0.020 . 2 . . . . 130 LEU HD2 . 16722 1 107 . 1 1 11 11 LEU HD23 H 1 0.543 0.020 . 2 . . . . 130 LEU HD2 . 16722 1 108 . 1 1 11 11 LEU HG H 1 1.293 0.020 . 1 . . . . 130 LEU HG . 16722 1 109 . 1 1 11 11 LEU CA C 13 52.945 0.3 . 1 . . . . 130 LEU CA . 16722 1 110 . 1 1 11 11 LEU CB C 13 43.028 0.3 . 1 . . . . 130 LEU CB . 16722 1 111 . 1 1 11 11 LEU CD1 C 13 21.452 0.3 . 1 . . . . 130 LEU CD1 . 16722 1 112 . 1 1 11 11 LEU CD2 C 13 25.462 0.3 . 1 . . . . 130 LEU CD2 . 16722 1 113 . 1 1 11 11 LEU CG C 13 25.702 0.3 . 1 . . . . 130 LEU CG . 16722 1 114 . 1 1 11 11 LEU N N 15 121.194 0.3 . 1 . . . . 130 LEU N . 16722 1 115 . 1 1 12 12 GLY H H 1 9.240 0.020 . 1 . . . . 131 GLY H . 16722 1 116 . 1 1 12 12 GLY HA2 H 1 4.342 0.020 . 1 . . . . 131 GLY HA2 . 16722 1 117 . 1 1 12 12 GLY CA C 13 44.552 0.3 . 1 . . . . 131 GLY CA . 16722 1 118 . 1 1 12 12 GLY N N 15 114.821 0.3 . 1 . . . . 131 GLY N . 16722 1 119 . 1 1 13 13 SER H H 1 8.213 0.020 . 1 . . . . 132 SER H . 16722 1 120 . 1 1 13 13 SER HA H 1 4.319 0.020 . 1 . . . . 132 SER HA . 16722 1 121 . 1 1 13 13 SER HB2 H 1 3.818 0.020 . 2 . . . . 132 SER HB2 . 16722 1 122 . 1 1 13 13 SER HB3 H 1 3.889 0.020 . 2 . . . . 132 SER HB3 . 16722 1 123 . 1 1 13 13 SER CA C 13 58.042 0.3 . 1 . . . . 132 SER CA . 16722 1 124 . 1 1 13 13 SER CB C 13 63.411 0.3 . 1 . . . . 132 SER CB . 16722 1 125 . 1 1 13 13 SER N N 15 113.544 0.3 . 1 . . . . 132 SER N . 16722 1 126 . 1 1 14 14 ALA H H 1 8.640 0.020 . 1 . . . . 133 ALA H . 16722 1 127 . 1 1 14 14 ALA HA H 1 4.328 0.020 . 1 . . . . 133 ALA HA . 16722 1 128 . 1 1 14 14 ALA HB1 H 1 1.182 0.020 . 1 . . . . 133 ALA HB . 16722 1 129 . 1 1 14 14 ALA HB2 H 1 1.182 0.020 . 1 . . . . 133 ALA HB . 16722 1 130 . 1 1 14 14 ALA HB3 H 1 1.182 0.020 . 1 . . . . 133 ALA HB . 16722 1 131 . 1 1 14 14 ALA CA C 13 52.443 0.3 . 1 . . . . 133 ALA CA . 16722 1 132 . 1 1 14 14 ALA CB C 13 18.294 0.3 . 1 . . . . 133 ALA CB . 16722 1 133 . 1 1 14 14 ALA N N 15 125.307 0.3 . 1 . . . . 133 ALA N . 16722 1 134 . 1 1 15 15 MET H H 1 8.700 0.020 . 1 . . . . 134 MET H . 16722 1 135 . 1 1 15 15 MET HA H 1 4.647 0.020 . 1 . . . . 134 MET HA . 16722 1 136 . 1 1 15 15 MET HB2 H 1 1.966 0.020 . 2 . . . . 134 MET HB2 . 16722 1 137 . 1 1 15 15 MET HB3 H 1 1.895 0.020 . 2 . . . . 134 MET HB3 . 16722 1 138 . 1 1 15 15 MET HE1 H 1 2.106 0.020 . 1 . . . . 134 MET HE . 16722 1 139 . 1 1 15 15 MET HE2 H 1 2.106 0.020 . 1 . . . . 134 MET HE . 16722 1 140 . 1 1 15 15 MET HE3 H 1 2.106 0.020 . 1 . . . . 134 MET HE . 16722 1 141 . 1 1 15 15 MET HG2 H 1 2.460 0.020 . 2 . . . . 134 MET HG2 . 16722 1 142 . 1 1 15 15 MET HG3 H 1 2.363 0.020 . 2 . . . . 134 MET HG3 . 16722 1 143 . 1 1 15 15 MET CA C 13 53.474 0.3 . 1 . . . . 134 MET CA . 16722 1 144 . 1 1 15 15 MET CB C 13 36.396 0.3 . 1 . . . . 134 MET CB . 16722 1 145 . 1 1 15 15 MET CE C 13 17.769 0.3 . 1 . . . . 134 MET CE . 16722 1 146 . 1 1 15 15 MET CG C 13 31.276 0.3 . 1 . . . . 134 MET CG . 16722 1 147 . 1 1 15 15 MET N N 15 121.327 0.3 . 1 . . . . 134 MET N . 16722 1 148 . 1 1 16 16 SER H H 1 8.330 0.020 . 1 . . . . 135 SER H . 16722 1 149 . 1 1 16 16 SER HA H 1 4.250 0.020 . 1 . . . . 135 SER HA . 16722 1 150 . 1 1 16 16 SER HB2 H 1 3.750 0.020 . 2 . . . . 135 SER HB2 . 16722 1 151 . 1 1 16 16 SER HB3 H 1 3.663 0.020 . 2 . . . . 135 SER HB3 . 16722 1 152 . 1 1 16 16 SER CA C 13 58.251 0.3 . 1 . . . . 135 SER CA . 16722 1 153 . 1 1 16 16 SER CB C 13 62.447 0.3 . 1 . . . . 135 SER CB . 16722 1 154 . 1 1 16 16 SER N N 15 115.889 0.3 . 1 . . . . 135 SER N . 16722 1 155 . 1 1 17 17 ARG H H 1 8.573 0.020 . 1 . . . . 136 ARG H . 16722 1 156 . 1 1 17 17 ARG HA H 1 4.289 0.020 . 1 . . . . 136 ARG HA . 16722 1 157 . 1 1 17 17 ARG HB2 H 1 1.765 0.020 . 2 . . . . 136 ARG HB2 . 16722 1 158 . 1 1 17 17 ARG HB3 H 1 1.690 0.020 . 2 . . . . 136 ARG HB3 . 16722 1 159 . 1 1 17 17 ARG HD2 H 1 2.974 0.020 . 2 . . . . 136 ARG HD2 . 16722 1 160 . 1 1 17 17 ARG HD3 H 1 2.865 0.020 . 2 . . . . 136 ARG HD3 . 16722 1 161 . 1 1 17 17 ARG HE H 1 6.807 0.020 . 1 . . . . 136 ARG HE . 16722 1 162 . 1 1 17 17 ARG HG2 H 1 1.528 0.020 . 2 . . . . 136 ARG HG2 . 16722 1 163 . 1 1 17 17 ARG HG3 H 1 1.597 0.020 . 2 . . . . 136 ARG HG3 . 16722 1 164 . 1 1 17 17 ARG CA C 13 54.378 0.3 . 1 . . . . 136 ARG CA . 16722 1 165 . 1 1 17 17 ARG CB C 13 28.519 0.3 . 1 . . . . 136 ARG CB . 16722 1 166 . 1 1 17 17 ARG CD C 13 43.412 0.3 . 1 . . . . 136 ARG CD . 16722 1 167 . 1 1 17 17 ARG CG C 13 29.130 0.3 . 1 . . . . 136 ARG CG . 16722 1 168 . 1 1 17 17 ARG N N 15 126.171 0.3 . 1 . . . . 136 ARG N . 16722 1 169 . 1 1 17 17 ARG NE N 15 88.388 0.3 . 1 . . . . 136 ARG NE . 16722 1 170 . 1 1 18 18 PRO HA H 1 4.333 0.020 . 1 . . . . 137 PRO HA . 16722 1 171 . 1 1 18 18 PRO HB2 H 1 1.673 0.020 . 2 . . . . 137 PRO HB2 . 16722 1 172 . 1 1 18 18 PRO HB3 H 1 2.143 0.020 . 2 . . . . 137 PRO HB3 . 16722 1 173 . 1 1 18 18 PRO HD2 H 1 3.567 0.020 . 2 . . . . 137 PRO HD2 . 16722 1 174 . 1 1 18 18 PRO HD3 H 1 3.828 0.020 . 2 . . . . 137 PRO HD3 . 16722 1 175 . 1 1 18 18 PRO HG2 H 1 1.932 0.020 . 1 . . . . 137 PRO HG2 . 16722 1 176 . 1 1 18 18 PRO HG3 H 1 1.932 0.020 . 1 . . . . 137 PRO HG3 . 16722 1 177 . 1 1 18 18 PRO CA C 13 61.639 0.3 . 1 . . . . 137 PRO CA . 16722 1 178 . 1 1 18 18 PRO CB C 13 31.936 0.3 . 1 . . . . 137 PRO CB . 16722 1 179 . 1 1 18 18 PRO CD C 13 50.112 0.3 . 1 . . . . 137 PRO CD . 16722 1 180 . 1 1 18 18 PRO CG C 13 27.014 0.3 . 1 . . . . 137 PRO CG . 16722 1 181 . 1 1 19 19 MET H H 1 8.650 0.020 . 1 . . . . 138 MET H . 16722 1 182 . 1 1 19 19 MET HA H 1 4.774 0.020 . 1 . . . . 138 MET HA . 16722 1 183 . 1 1 19 19 MET HB2 H 1 1.915 0.020 . 1 . . . . 138 MET HB2 . 16722 1 184 . 1 1 19 19 MET HB3 H 1 1.915 0.020 . 1 . . . . 138 MET HB3 . 16722 1 185 . 1 1 19 19 MET HE1 H 1 2.034 0.020 . 1 . . . . 138 MET HE . 16722 1 186 . 1 1 19 19 MET HE2 H 1 2.034 0.020 . 1 . . . . 138 MET HE . 16722 1 187 . 1 1 19 19 MET HE3 H 1 2.034 0.020 . 1 . . . . 138 MET HE . 16722 1 188 . 1 1 19 19 MET HG2 H 1 2.594 0.020 . 2 . . . . 138 MET HG2 . 16722 1 189 . 1 1 19 19 MET HG3 H 1 2.238 0.020 . 2 . . . . 138 MET HG3 . 16722 1 190 . 1 1 19 19 MET CA C 13 53.550 0.3 . 1 . . . . 138 MET CA . 16722 1 191 . 1 1 19 19 MET CB C 13 29.967 0.3 . 1 . . . . 138 MET CB . 16722 1 192 . 1 1 19 19 MET CE C 13 16.332 0.3 . 1 . . . . 138 MET CE . 16722 1 193 . 1 1 19 19 MET CG C 13 31.578 0.3 . 1 . . . . 138 MET CG . 16722 1 194 . 1 1 19 19 MET N N 15 121.958 0.3 . 1 . . . . 138 MET N . 16722 1 195 . 1 1 20 20 ILE H H 1 6.479 0.020 . 1 . . . . 139 ILE H . 16722 1 196 . 1 1 20 20 ILE HA H 1 3.726 0.020 . 1 . . . . 139 ILE HA . 16722 1 197 . 1 1 20 20 ILE HB H 1 0.692 0.020 . 1 . . . . 139 ILE HB . 16722 1 198 . 1 1 20 20 ILE HD11 H 1 0.339 0.020 . 1 . . . . 139 ILE HD1 . 16722 1 199 . 1 1 20 20 ILE HD12 H 1 0.339 0.020 . 1 . . . . 139 ILE HD1 . 16722 1 200 . 1 1 20 20 ILE HD13 H 1 0.339 0.020 . 1 . . . . 139 ILE HD1 . 16722 1 201 . 1 1 20 20 ILE HG12 H 1 0.805 0.020 . 2 . . . . 139 ILE HG12 . 16722 1 202 . 1 1 20 20 ILE HG13 H 1 0.630 0.020 . 2 . . . . 139 ILE HG13 . 16722 1 203 . 1 1 20 20 ILE HG21 H 1 -0.219 0.020 . 1 . . . . 139 ILE HG2 . 16722 1 204 . 1 1 20 20 ILE HG22 H 1 -0.219 0.020 . 1 . . . . 139 ILE HG2 . 16722 1 205 . 1 1 20 20 ILE HG23 H 1 -0.219 0.020 . 1 . . . . 139 ILE HG2 . 16722 1 206 . 1 1 20 20 ILE CA C 13 59.070 0.3 . 1 . . . . 139 ILE CA . 16722 1 207 . 1 1 20 20 ILE CB C 13 38.669 0.3 . 1 . . . . 139 ILE CB . 16722 1 208 . 1 1 20 20 ILE CD1 C 13 12.409 0.3 . 1 . . . . 139 ILE CD1 . 16722 1 209 . 1 1 20 20 ILE CG1 C 13 26.364 0.3 . 1 . . . . 139 ILE CG1 . 16722 1 210 . 1 1 20 20 ILE CG2 C 13 16.985 0.3 . 1 . . . . 139 ILE CG2 . 16722 1 211 . 1 1 20 20 ILE N N 15 124.404 0.3 . 1 . . . . 139 ILE N . 16722 1 212 . 1 1 21 21 HIS H H 1 8.117 0.020 . 1 . . . . 140 HIS H . 16722 1 213 . 1 1 21 21 HIS HA H 1 4.813 0.020 . 1 . . . . 140 HIS HA . 16722 1 214 . 1 1 21 21 HIS HB2 H 1 3.200 0.020 . 2 . . . . 140 HIS HB2 . 16722 1 215 . 1 1 21 21 HIS HB3 H 1 2.859 0.020 . 2 . . . . 140 HIS HB3 . 16722 1 216 . 1 1 21 21 HIS HD2 H 1 7.133 0.020 . 1 . . . . 140 HIS HD2 . 16722 1 217 . 1 1 21 21 HIS HE1 H 1 8.491 0.020 . 1 . . . . 140 HIS HE1 . 16722 1 218 . 1 1 21 21 HIS CA C 13 53.550 0.3 . 1 . . . . 140 HIS CA . 16722 1 219 . 1 1 21 21 HIS CB C 13 29.158 0.3 . 1 . . . . 140 HIS CB . 16722 1 220 . 1 1 21 21 HIS CD2 C 13 119.819 0.3 . 1 . . . . 140 HIS CD2 . 16722 1 221 . 1 1 21 21 HIS CE1 C 13 136.330 0.3 . 1 . . . . 140 HIS CE1 . 16722 1 222 . 1 1 21 21 HIS N N 15 121.753 0.3 . 1 . . . . 140 HIS N . 16722 1 223 . 1 1 22 22 PHE H H 1 10.359 0.020 . 1 . . . . 141 PHE H . 16722 1 224 . 1 1 22 22 PHE HA H 1 4.166 0.020 . 1 . . . . 141 PHE HA . 16722 1 225 . 1 1 22 22 PHE HB2 H 1 2.691 0.020 . 2 . . . . 141 PHE HB2 . 16722 1 226 . 1 1 22 22 PHE HB3 H 1 3.180 0.020 . 2 . . . . 141 PHE HB3 . 16722 1 227 . 1 1 22 22 PHE HD1 H 1 7.203 0.020 . 1 . . . . 141 PHE HD1 . 16722 1 228 . 1 1 22 22 PHE HD2 H 1 7.203 0.020 . 1 . . . . 141 PHE HD2 . 16722 1 229 . 1 1 22 22 PHE HE1 H 1 6.804 0.020 . 1 . . . . 141 PHE HE1 . 16722 1 230 . 1 1 22 22 PHE HE2 H 1 6.804 0.020 . 1 . . . . 141 PHE HE2 . 16722 1 231 . 1 1 22 22 PHE HZ H 1 6.652 0.020 . 1 . . . . 141 PHE HZ . 16722 1 232 . 1 1 22 22 PHE CA C 13 59.188 0.3 . 1 . . . . 141 PHE CA . 16722 1 233 . 1 1 22 22 PHE CB C 13 40.398 0.3 . 1 . . . . 141 PHE CB . 16722 1 234 . 1 1 22 22 PHE CD1 C 13 131.950 0.3 . 1 . . . . 141 PHE CD1 . 16722 1 235 . 1 1 22 22 PHE CE1 C 13 130.969 0.3 . 1 . . . . 141 PHE CE1 . 16722 1 236 . 1 1 22 22 PHE CZ C 13 129.012 0.3 . 1 . . . . 141 PHE CZ . 16722 1 237 . 1 1 22 22 PHE N N 15 124.487 0.3 . 1 . . . . 141 PHE N . 16722 1 238 . 1 1 23 23 GLY H H 1 8.923 0.020 . 1 . . . . 142 GLY H . 16722 1 239 . 1 1 23 23 GLY HA2 H 1 4.025 0.020 . 1 . . . . 142 GLY HA2 . 16722 1 240 . 1 1 23 23 GLY CA C 13 45.266 0.3 . 1 . . . . 142 GLY CA . 16722 1 241 . 1 1 23 23 GLY N N 15 108.927 0.3 . 1 . . . . 142 GLY N . 16722 1 242 . 1 1 24 24 ASN H H 1 7.106 0.020 . 1 . . . . 143 ASN H . 16722 1 243 . 1 1 24 24 ASN HA H 1 4.780 0.020 . 1 . . . . 143 ASN HA . 16722 1 244 . 1 1 24 24 ASN HB2 H 1 2.616 0.020 . 1 . . . . 143 ASN HB2 . 16722 1 245 . 1 1 24 24 ASN HB3 H 1 2.616 0.020 . 1 . . . . 143 ASN HB3 . 16722 1 246 . 1 1 24 24 ASN HD21 H 1 7.513 0.020 . 1 . . . . 143 ASN HD21 . 16722 1 247 . 1 1 24 24 ASN HD22 H 1 7.237 0.020 . 1 . . . . 143 ASN HD22 . 16722 1 248 . 1 1 24 24 ASN CA C 13 52.100 0.3 . 1 . . . . 143 ASN CA . 16722 1 249 . 1 1 24 24 ASN CB C 13 41.077 0.3 . 1 . . . . 143 ASN CB . 16722 1 250 . 1 1 24 24 ASN N N 15 114.438 0.3 . 1 . . . . 143 ASN N . 16722 1 251 . 1 1 24 24 ASN ND2 N 15 115.190 0.3 . 1 . . . . 143 ASN ND2 . 16722 1 252 . 1 1 25 25 ASP H H 1 8.946 0.020 . 1 . . . . 144 ASP H . 16722 1 253 . 1 1 25 25 ASP HA H 1 4.353 0.020 . 1 . . . . 144 ASP HA . 16722 1 254 . 1 1 25 25 ASP HB2 H 1 2.682 0.020 . 1 . . . . 144 ASP HB2 . 16722 1 255 . 1 1 25 25 ASP HB3 H 1 2.682 0.020 . 1 . . . . 144 ASP HB3 . 16722 1 256 . 1 1 25 25 ASP CA C 13 57.381 0.3 . 1 . . . . 144 ASP CA . 16722 1 257 . 1 1 25 25 ASP CB C 13 40.462 0.3 . 1 . . . . 144 ASP CB . 16722 1 258 . 1 1 25 25 ASP N N 15 123.446 0.3 . 1 . . . . 144 ASP N . 16722 1 259 . 1 1 26 26 TRP H H 1 8.418 0.020 . 1 . . . . 145 TRP H . 16722 1 260 . 1 1 26 26 TRP HA H 1 4.141 0.020 . 1 . . . . 145 TRP HA . 16722 1 261 . 1 1 26 26 TRP HB2 H 1 3.316 0.020 . 1 . . . . 145 TRP HB2 . 16722 1 262 . 1 1 26 26 TRP HB3 H 1 3.316 0.020 . 1 . . . . 145 TRP HB3 . 16722 1 263 . 1 1 26 26 TRP HD1 H 1 7.249 0.020 . 1 . . . . 145 TRP HD1 . 16722 1 264 . 1 1 26 26 TRP HE1 H 1 10.127 0.020 . 1 . . . . 145 TRP HE1 . 16722 1 265 . 1 1 26 26 TRP HE3 H 1 7.251 0.020 . 1 . . . . 145 TRP HE3 . 16722 1 266 . 1 1 26 26 TRP HH2 H 1 6.788 0.020 . 1 . . . . 145 TRP HH2 . 16722 1 267 . 1 1 26 26 TRP HZ2 H 1 7.326 0.020 . 1 . . . . 145 TRP HZ2 . 16722 1 268 . 1 1 26 26 TRP HZ3 H 1 6.619 0.020 . 1 . . . . 145 TRP HZ3 . 16722 1 269 . 1 1 26 26 TRP CA C 13 61.143 0.3 . 1 . . . . 145 TRP CA . 16722 1 270 . 1 1 26 26 TRP CB C 13 28.016 0.3 . 1 . . . . 145 TRP CB . 16722 1 271 . 1 1 26 26 TRP CD1 C 13 127.534 0.3 . 1 . . . . 145 TRP CD1 . 16722 1 272 . 1 1 26 26 TRP CE3 C 13 120.486 0.3 . 1 . . . . 145 TRP CE3 . 16722 1 273 . 1 1 26 26 TRP CH2 C 13 124.799 0.3 . 1 . . . . 145 TRP CH2 . 16722 1 274 . 1 1 26 26 TRP CZ2 C 13 114.497 0.3 . 1 . . . . 145 TRP CZ2 . 16722 1 275 . 1 1 26 26 TRP CZ3 C 13 120.861 0.3 . 1 . . . . 145 TRP CZ3 . 16722 1 276 . 1 1 26 26 TRP N N 15 120.320 0.3 . 1 . . . . 145 TRP N . 16722 1 277 . 1 1 26 26 TRP NE1 N 15 129.327 0.3 . 1 . . . . 145 TRP NE1 . 16722 1 278 . 1 1 27 27 GLU H H 1 8.100 0.020 . 1 . . . . 146 GLU H . 16722 1 279 . 1 1 27 27 GLU HA H 1 3.345 0.020 . 1 . . . . 146 GLU HA . 16722 1 280 . 1 1 27 27 GLU HB2 H 1 1.725 0.020 . 2 . . . . 146 GLU HB2 . 16722 1 281 . 1 1 27 27 GLU HB3 H 1 1.176 0.020 . 2 . . . . 146 GLU HB3 . 16722 1 282 . 1 1 27 27 GLU HG2 H 1 2.026 0.020 . 2 . . . . 146 GLU HG2 . 16722 1 283 . 1 1 27 27 GLU HG3 H 1 1.499 0.020 . 2 . . . . 146 GLU HG3 . 16722 1 284 . 1 1 27 27 GLU CA C 13 59.304 0.3 . 1 . . . . 146 GLU CA . 16722 1 285 . 1 1 27 27 GLU CB C 13 29.035 0.3 . 1 . . . . 146 GLU CB . 16722 1 286 . 1 1 27 27 GLU CG C 13 36.320 0.3 . 1 . . . . 146 GLU CG . 16722 1 287 . 1 1 27 27 GLU N N 15 120.073 0.3 . 1 . . . . 146 GLU N . 16722 1 288 . 1 1 28 28 ASP H H 1 7.929 0.020 . 1 . . . . 147 ASP H . 16722 1 289 . 1 1 28 28 ASP HA H 1 4.585 0.020 . 1 . . . . 147 ASP HA . 16722 1 290 . 1 1 28 28 ASP HB2 H 1 2.735 0.020 . 2 . . . . 147 ASP HB2 . 16722 1 291 . 1 1 28 28 ASP HB3 H 1 2.835 0.020 . 2 . . . . 147 ASP HB3 . 16722 1 292 . 1 1 28 28 ASP CA C 13 58.042 0.3 . 1 . . . . 147 ASP CA . 16722 1 293 . 1 1 28 28 ASP CB C 13 40.216 0.3 . 1 . . . . 147 ASP CB . 16722 1 294 . 1 1 28 28 ASP N N 15 118.876 0.3 . 1 . . . . 147 ASP N . 16722 1 295 . 1 1 29 29 ARG H H 1 7.947 0.020 . 1 . . . . 148 ARG H . 16722 1 296 . 1 1 29 29 ARG HA H 1 3.886 0.020 . 1 . . . . 148 ARG HA . 16722 1 297 . 1 1 29 29 ARG HB2 H 1 1.772 0.020 . 1 . . . . 148 ARG HB2 . 16722 1 298 . 1 1 29 29 ARG HB3 H 1 1.772 0.020 . 1 . . . . 148 ARG HB3 . 16722 1 299 . 1 1 29 29 ARG HD2 H 1 3.123 0.020 . 2 . . . . 148 ARG HD2 . 16722 1 300 . 1 1 29 29 ARG HD3 H 1 3.088 0.020 . 2 . . . . 148 ARG HD3 . 16722 1 301 . 1 1 29 29 ARG HE H 1 7.340 0.020 . 1 . . . . 148 ARG HE . 16722 1 302 . 1 1 29 29 ARG HG2 H 1 1.637 0.020 . 2 . . . . 148 ARG HG2 . 16722 1 303 . 1 1 29 29 ARG HG3 H 1 1.402 0.020 . 2 . . . . 148 ARG HG3 . 16722 1 304 . 1 1 29 29 ARG CA C 13 59.194 0.3 . 1 . . . . 148 ARG CA . 16722 1 305 . 1 1 29 29 ARG CB C 13 29.563 0.3 . 1 . . . . 148 ARG CB . 16722 1 306 . 1 1 29 29 ARG CD C 13 43.085 0.3 . 1 . . . . 148 ARG CD . 16722 1 307 . 1 1 29 29 ARG CG C 13 27.439 0.3 . 1 . . . . 148 ARG CG . 16722 1 308 . 1 1 29 29 ARG N N 15 119.798 0.3 . 1 . . . . 148 ARG N . 16722 1 309 . 1 1 29 29 ARG NE N 15 87.985 0.3 . 1 . . . . 148 ARG NE . 16722 1 310 . 1 1 30 30 TYR H H 1 8.179 0.020 . 1 . . . . 149 TYR H . 16722 1 311 . 1 1 30 30 TYR HA H 1 3.640 0.020 . 1 . . . . 149 TYR HA . 16722 1 312 . 1 1 30 30 TYR HB2 H 1 2.582 0.020 . 2 . . . . 149 TYR HB2 . 16722 1 313 . 1 1 30 30 TYR HB3 H 1 2.227 0.020 . 2 . . . . 149 TYR HB3 . 16722 1 314 . 1 1 30 30 TYR HD1 H 1 6.781 0.020 . 1 . . . . 149 TYR HD1 . 16722 1 315 . 1 1 30 30 TYR HD2 H 1 6.781 0.020 . 1 . . . . 149 TYR HD2 . 16722 1 316 . 1 1 30 30 TYR HE1 H 1 6.794 0.020 . 1 . . . . 149 TYR HE1 . 16722 1 317 . 1 1 30 30 TYR HE2 H 1 6.794 0.020 . 1 . . . . 149 TYR HE2 . 16722 1 318 . 1 1 30 30 TYR CA C 13 61.563 0.3 . 1 . . . . 149 TYR CA . 16722 1 319 . 1 1 30 30 TYR CB C 13 37.884 0.3 . 1 . . . . 149 TYR CB . 16722 1 320 . 1 1 30 30 TYR CD1 C 13 133.486 0.3 . 1 . . . . 149 TYR CD1 . 16722 1 321 . 1 1 30 30 TYR CE1 C 13 117.907 0.3 . 1 . . . . 149 TYR CE1 . 16722 1 322 . 1 1 30 30 TYR N N 15 120.749 0.3 . 1 . . . . 149 TYR N . 16722 1 323 . 1 1 31 31 TYR H H 1 8.894 0.020 . 1 . . . . 150 TYR H . 16722 1 324 . 1 1 31 31 TYR HA H 1 3.989 0.020 . 1 . . . . 150 TYR HA . 16722 1 325 . 1 1 31 31 TYR HB2 H 1 3.450 0.020 . 2 . . . . 150 TYR HB2 . 16722 1 326 . 1 1 31 31 TYR HB3 H 1 3.116 0.020 . 2 . . . . 150 TYR HB3 . 16722 1 327 . 1 1 31 31 TYR HD1 H 1 7.373 0.020 . 1 . . . . 150 TYR HD1 . 16722 1 328 . 1 1 31 31 TYR HD2 H 1 7.373 0.020 . 1 . . . . 150 TYR HD2 . 16722 1 329 . 1 1 31 31 TYR HE1 H 1 6.921 0.020 . 1 . . . . 150 TYR HE1 . 16722 1 330 . 1 1 31 31 TYR HE2 H 1 6.921 0.020 . 1 . . . . 150 TYR HE2 . 16722 1 331 . 1 1 31 31 TYR CA C 13 62.483 0.3 . 1 . . . . 150 TYR CA . 16722 1 332 . 1 1 31 31 TYR CB C 13 38.087 0.3 . 1 . . . . 150 TYR CB . 16722 1 333 . 1 1 31 31 TYR CD1 C 13 133.422 0.3 . 1 . . . . 150 TYR CD1 . 16722 1 334 . 1 1 31 31 TYR CE1 C 13 118.308 0.3 . 1 . . . . 150 TYR CE1 . 16722 1 335 . 1 1 31 31 TYR N N 15 120.194 0.3 . 1 . . . . 150 TYR N . 16722 1 336 . 1 1 32 32 ARG H H 1 7.811 0.020 . 1 . . . . 151 ARG H . 16722 1 337 . 1 1 32 32 ARG HA H 1 3.761 0.020 . 1 . . . . 151 ARG HA . 16722 1 338 . 1 1 32 32 ARG HB2 H 1 1.859 0.020 . 2 . . . . 151 ARG HB2 . 16722 1 339 . 1 1 32 32 ARG HB3 H 1 1.930 0.020 . 2 . . . . 151 ARG HB3 . 16722 1 340 . 1 1 32 32 ARG HD2 H 1 3.258 0.020 . 2 . . . . 151 ARG HD2 . 16722 1 341 . 1 1 32 32 ARG HD3 H 1 3.187 0.020 . 2 . . . . 151 ARG HD3 . 16722 1 342 . 1 1 32 32 ARG HE H 1 7.369 0.020 . 1 . . . . 151 ARG HE . 16722 1 343 . 1 1 32 32 ARG HG2 H 1 1.893 0.020 . 2 . . . . 151 ARG HG2 . 16722 1 344 . 1 1 32 32 ARG HG3 H 1 1.657 0.020 . 2 . . . . 151 ARG HG3 . 16722 1 345 . 1 1 32 32 ARG CA C 13 59.501 0.3 . 1 . . . . 151 ARG CA . 16722 1 346 . 1 1 32 32 ARG CB C 13 29.525 0.3 . 1 . . . . 151 ARG CB . 16722 1 347 . 1 1 32 32 ARG CD C 13 43.078 0.3 . 1 . . . . 151 ARG CD . 16722 1 348 . 1 1 32 32 ARG CG C 13 28.113 0.3 . 1 . . . . 151 ARG CG . 16722 1 349 . 1 1 32 32 ARG N N 15 116.976 0.3 . 1 . . . . 151 ARG N . 16722 1 350 . 1 1 32 32 ARG NE N 15 87.682 0.3 . 1 . . . . 151 ARG NE . 16722 1 351 . 1 1 33 33 GLU H H 1 7.750 0.020 . 1 . . . . 152 GLU H . 16722 1 352 . 1 1 33 33 GLU HA H 1 4.018 0.020 . 1 . . . . 152 GLU HA . 16722 1 353 . 1 1 33 33 GLU HB2 H 1 1.800 0.020 . 1 . . . . 152 GLU HB2 . 16722 1 354 . 1 1 33 33 GLU HB3 H 1 1.800 0.020 . 1 . . . . 152 GLU HB3 . 16722 1 355 . 1 1 33 33 GLU HG2 H 1 2.373 0.020 . 2 . . . . 152 GLU HG2 . 16722 1 356 . 1 1 33 33 GLU HG3 H 1 2.188 0.020 . 2 . . . . 152 GLU HG3 . 16722 1 357 . 1 1 33 33 GLU CA C 13 57.174 0.3 . 1 . . . . 152 GLU CA . 16722 1 358 . 1 1 33 33 GLU CB C 13 29.295 0.3 . 1 . . . . 152 GLU CB . 16722 1 359 . 1 1 33 33 GLU CG C 13 35.025 0.3 . 1 . . . . 152 GLU CG . 16722 1 360 . 1 1 33 33 GLU N N 15 115.055 0.3 . 1 . . . . 152 GLU N . 16722 1 361 . 1 1 34 34 ASN H H 1 7.450 0.020 . 1 . . . . 153 ASN H . 16722 1 362 . 1 1 34 34 ASN HA H 1 4.419 0.020 . 1 . . . . 153 ASN HA . 16722 1 363 . 1 1 34 34 ASN HB2 H 1 2.145 0.020 . 2 . . . . 153 ASN HB2 . 16722 1 364 . 1 1 34 34 ASN HB3 H 1 2.039 0.020 . 2 . . . . 153 ASN HB3 . 16722 1 365 . 1 1 34 34 ASN HD21 H 1 6.612 0.020 . 1 . . . . 153 ASN HD21 . 16722 1 366 . 1 1 34 34 ASN HD22 H 1 6.412 0.020 . 1 . . . . 153 ASN HD22 . 16722 1 367 . 1 1 34 34 ASN CA C 13 54.360 0.3 . 1 . . . . 153 ASN CA . 16722 1 368 . 1 1 34 34 ASN CB C 13 40.737 0.3 . 1 . . . . 153 ASN CB . 16722 1 369 . 1 1 34 34 ASN N N 15 115.124 0.3 . 1 . . . . 153 ASN N . 16722 1 370 . 1 1 34 34 ASN ND2 N 15 116.391 0.3 . 1 . . . . 153 ASN ND2 . 16722 1 371 . 1 1 35 35 MET H H 1 7.721 0.020 . 1 . . . . 154 MET H . 16722 1 372 . 1 1 35 35 MET HA H 1 3.374 0.020 . 1 . . . . 154 MET HA . 16722 1 373 . 1 1 35 35 MET HB2 H 1 1.489 0.020 . 2 . . . . 154 MET HB2 . 16722 1 374 . 1 1 35 35 MET HB3 H 1 1.166 0.020 . 2 . . . . 154 MET HB3 . 16722 1 375 . 1 1 35 35 MET HE1 H 1 1.823 0.020 . 1 . . . . 154 MET HE . 16722 1 376 . 1 1 35 35 MET HE2 H 1 1.823 0.020 . 1 . . . . 154 MET HE . 16722 1 377 . 1 1 35 35 MET HE3 H 1 1.823 0.020 . 1 . . . . 154 MET HE . 16722 1 378 . 1 1 35 35 MET HG2 H 1 2.169 0.020 . 2 . . . . 154 MET HG2 . 16722 1 379 . 1 1 35 35 MET HG3 H 1 1.687 0.020 . 2 . . . . 154 MET HG3 . 16722 1 380 . 1 1 35 35 MET CA C 13 58.729 0.3 . 1 . . . . 154 MET CA . 16722 1 381 . 1 1 35 35 MET CB C 13 30.420 0.3 . 1 . . . . 154 MET CB . 16722 1 382 . 1 1 35 35 MET CE C 13 17.199 0.3 . 1 . . . . 154 MET CE . 16722 1 383 . 1 1 35 35 MET CG C 13 29.832 0.3 . 1 . . . . 154 MET CG . 16722 1 384 . 1 1 35 35 MET N N 15 118.135 0.3 . 1 . . . . 154 MET N . 16722 1 385 . 1 1 36 36 TYR H H 1 7.503 0.020 . 1 . . . . 155 TYR H . 16722 1 386 . 1 1 36 36 TYR HA H 1 4.048 0.020 . 1 . . . . 155 TYR HA . 16722 1 387 . 1 1 36 36 TYR HB2 H 1 2.839 0.020 . 2 . . . . 155 TYR HB2 . 16722 1 388 . 1 1 36 36 TYR HB3 H 1 2.922 0.020 . 2 . . . . 155 TYR HB3 . 16722 1 389 . 1 1 36 36 TYR HD1 H 1 6.981 0.020 . 1 . . . . 155 TYR HD1 . 16722 1 390 . 1 1 36 36 TYR HD2 H 1 6.981 0.020 . 1 . . . . 155 TYR HD2 . 16722 1 391 . 1 1 36 36 TYR HE1 H 1 6.792 0.020 . 1 . . . . 155 TYR HE1 . 16722 1 392 . 1 1 36 36 TYR HE2 H 1 6.792 0.020 . 1 . . . . 155 TYR HE2 . 16722 1 393 . 1 1 36 36 TYR CA C 13 58.919 0.3 . 1 . . . . 155 TYR CA . 16722 1 394 . 1 1 36 36 TYR CB C 13 35.922 0.3 . 1 . . . . 155 TYR CB . 16722 1 395 . 1 1 36 36 TYR CD1 C 13 133.157 0.3 . 1 . . . . 155 TYR CD1 . 16722 1 396 . 1 1 36 36 TYR CE1 C 13 118.481 0.3 . 1 . . . . 155 TYR CE1 . 16722 1 397 . 1 1 36 36 TYR N N 15 116.002 0.3 . 1 . . . . 155 TYR N . 16722 1 398 . 1 1 37 37 ARG H H 1 7.436 0.020 . 1 . . . . 156 ARG H . 16722 1 399 . 1 1 37 37 ARG HA H 1 3.937 0.020 . 1 . . . . 156 ARG HA . 16722 1 400 . 1 1 37 37 ARG HB2 H 1 1.231 0.020 . 2 . . . . 156 ARG HB2 . 16722 1 401 . 1 1 37 37 ARG HB3 H 1 1.846 0.020 . 2 . . . . 156 ARG HB3 . 16722 1 402 . 1 1 37 37 ARG HD2 H 1 3.100 0.020 . 2 . . . . 156 ARG HD2 . 16722 1 403 . 1 1 37 37 ARG HD3 H 1 2.984 0.020 . 2 . . . . 156 ARG HD3 . 16722 1 404 . 1 1 37 37 ARG HE H 1 7.126 0.020 . 1 . . . . 156 ARG HE . 16722 1 405 . 1 1 37 37 ARG HG2 H 1 1.164 0.020 . 2 . . . . 156 ARG HG2 . 16722 1 406 . 1 1 37 37 ARG HG3 H 1 0.586 0.020 . 2 . . . . 156 ARG HG3 . 16722 1 407 . 1 1 37 37 ARG HH21 H 1 6.412 0.020 . 1 . . . . 156 ARG HH21 . 16722 1 408 . 1 1 37 37 ARG CA C 13 55.923 0.3 . 1 . . . . 156 ARG CA . 16722 1 409 . 1 1 37 37 ARG CB C 13 30.407 0.3 . 1 . . . . 156 ARG CB . 16722 1 410 . 1 1 37 37 ARG CD C 13 43.910 0.3 . 1 . . . . 156 ARG CD . 16722 1 411 . 1 1 37 37 ARG CG C 13 27.127 0.3 . 1 . . . . 156 ARG CG . 16722 1 412 . 1 1 37 37 ARG N N 15 118.231 0.3 . 1 . . . . 156 ARG N . 16722 1 413 . 1 1 37 37 ARG NE N 15 87.459 0.3 . 1 . . . . 156 ARG NE . 16722 1 414 . 1 1 38 38 TYR H H 1 7.224 0.020 . 1 . . . . 157 TYR H . 16722 1 415 . 1 1 38 38 TYR HA H 1 4.943 0.020 . 1 . . . . 157 TYR HA . 16722 1 416 . 1 1 38 38 TYR HB2 H 1 2.992 0.020 . 2 . . . . 157 TYR HB2 . 16722 1 417 . 1 1 38 38 TYR HB3 H 1 3.027 0.020 . 2 . . . . 157 TYR HB3 . 16722 1 418 . 1 1 38 38 TYR HD1 H 1 6.838 0.020 . 1 . . . . 157 TYR HD1 . 16722 1 419 . 1 1 38 38 TYR HD2 H 1 6.838 0.020 . 1 . . . . 157 TYR HD2 . 16722 1 420 . 1 1 38 38 TYR HE1 H 1 6.437 0.020 . 1 . . . . 157 TYR HE1 . 16722 1 421 . 1 1 38 38 TYR HE2 H 1 6.437 0.020 . 1 . . . . 157 TYR HE2 . 16722 1 422 . 1 1 38 38 TYR CA C 13 52.512 0.3 . 1 . . . . 157 TYR CA . 16722 1 423 . 1 1 38 38 TYR CB C 13 34.958 0.3 . 1 . . . . 157 TYR CB . 16722 1 424 . 1 1 38 38 TYR CD1 C 13 131.323 0.3 . 1 . . . . 157 TYR CD1 . 16722 1 425 . 1 1 38 38 TYR CE1 C 13 117.440 0.3 . 1 . . . . 157 TYR CE1 . 16722 1 426 . 1 1 38 38 TYR N N 15 120.149 0.3 . 1 . . . . 157 TYR N . 16722 1 427 . 1 1 39 39 PRO HA H 1 4.378 0.020 . 1 . . . . 158 PRO HA . 16722 1 428 . 1 1 39 39 PRO HB2 H 1 1.656 0.020 . 2 . . . . 158 PRO HB2 . 16722 1 429 . 1 1 39 39 PRO HB3 H 1 2.339 0.020 . 2 . . . . 158 PRO HB3 . 16722 1 430 . 1 1 39 39 PRO HD2 H 1 3.125 0.020 . 2 . . . . 158 PRO HD2 . 16722 1 431 . 1 1 39 39 PRO HD3 H 1 3.385 0.020 . 2 . . . . 158 PRO HD3 . 16722 1 432 . 1 1 39 39 PRO HG2 H 1 1.502 0.020 . 2 . . . . 158 PRO HG2 . 16722 1 433 . 1 1 39 39 PRO HG3 H 1 1.298 0.020 . 2 . . . . 158 PRO HG3 . 16722 1 434 . 1 1 39 39 PRO CA C 13 62.838 0.3 . 1 . . . . 158 PRO CA . 16722 1 435 . 1 1 39 39 PRO CB C 13 32.155 0.3 . 1 . . . . 158 PRO CB . 16722 1 436 . 1 1 39 39 PRO CD C 13 49.727 0.3 . 1 . . . . 158 PRO CD . 16722 1 437 . 1 1 39 39 PRO CG C 13 26.986 0.3 . 1 . . . . 158 PRO CG . 16722 1 438 . 1 1 40 40 ASN H H 1 8.319 0.020 . 1 . . . . 159 ASN H . 16722 1 439 . 1 1 40 40 ASN HA H 1 4.643 0.020 . 1 . . . . 159 ASN HA . 16722 1 440 . 1 1 40 40 ASN HB2 H 1 3.649 0.020 . 2 . . . . 159 ASN HB2 . 16722 1 441 . 1 1 40 40 ASN HB3 H 1 2.295 0.020 . 2 . . . . 159 ASN HB3 . 16722 1 442 . 1 1 40 40 ASN HD21 H 1 7.414 0.020 . 1 . . . . 159 ASN HD21 . 16722 1 443 . 1 1 40 40 ASN HD22 H 1 6.719 0.020 . 1 . . . . 159 ASN HD22 . 16722 1 444 . 1 1 40 40 ASN CA C 13 51.238 0.3 . 1 . . . . 159 ASN CA . 16722 1 445 . 1 1 40 40 ASN CB C 13 37.807 0.3 . 1 . . . . 159 ASN CB . 16722 1 446 . 1 1 40 40 ASN N N 15 115.410 0.3 . 1 . . . . 159 ASN N . 16722 1 447 . 1 1 40 40 ASN ND2 N 15 108.856 0.3 . 1 . . . . 159 ASN ND2 . 16722 1 448 . 1 1 41 41 GLN H H 1 7.133 0.020 . 1 . . . . 160 GLN H . 16722 1 449 . 1 1 41 41 GLN HA H 1 4.511 0.020 . 1 . . . . 160 GLN HA . 16722 1 450 . 1 1 41 41 GLN HB2 H 1 1.879 0.020 . 2 . . . . 160 GLN HB2 . 16722 1 451 . 1 1 41 41 GLN HB3 H 1 1.604 0.020 . 2 . . . . 160 GLN HB3 . 16722 1 452 . 1 1 41 41 GLN HE21 H 1 7.805 0.020 . 1 . . . . 160 GLN HE21 . 16722 1 453 . 1 1 41 41 GLN HE22 H 1 6.913 0.020 . 1 . . . . 160 GLN HE22 . 16722 1 454 . 1 1 41 41 GLN HG2 H 1 1.891 0.020 . 2 . . . . 160 GLN HG2 . 16722 1 455 . 1 1 41 41 GLN HG3 H 1 1.615 0.020 . 2 . . . . 160 GLN HG3 . 16722 1 456 . 1 1 41 41 GLN CA C 13 53.764 0.3 . 1 . . . . 160 GLN CA . 16722 1 457 . 1 1 41 41 GLN CB C 13 33.527 0.3 . 1 . . . . 160 GLN CB . 16722 1 458 . 1 1 41 41 GLN CG C 13 33.443 0.3 . 1 . . . . 160 GLN CG . 16722 1 459 . 1 1 41 41 GLN N N 15 113.673 0.3 . 1 . . . . 160 GLN N . 16722 1 460 . 1 1 41 41 GLN NE2 N 15 112.533 0.3 . 1 . . . . 160 GLN NE2 . 16722 1 461 . 1 1 42 42 VAL H H 1 8.389 0.020 . 1 . . . . 161 VAL H . 16722 1 462 . 1 1 42 42 VAL HA H 1 4.822 0.020 . 1 . . . . 161 VAL HA . 16722 1 463 . 1 1 42 42 VAL HB H 1 2.499 0.020 . 1 . . . . 161 VAL HB . 16722 1 464 . 1 1 42 42 VAL HG11 H 1 0.879 0.020 . 2 . . . . 161 VAL HG1 . 16722 1 465 . 1 1 42 42 VAL HG12 H 1 0.879 0.020 . 2 . . . . 161 VAL HG1 . 16722 1 466 . 1 1 42 42 VAL HG13 H 1 0.879 0.020 . 2 . . . . 161 VAL HG1 . 16722 1 467 . 1 1 42 42 VAL HG21 H 1 0.655 0.020 . 2 . . . . 161 VAL HG2 . 16722 1 468 . 1 1 42 42 VAL HG22 H 1 0.655 0.020 . 2 . . . . 161 VAL HG2 . 16722 1 469 . 1 1 42 42 VAL HG23 H 1 0.655 0.020 . 2 . . . . 161 VAL HG2 . 16722 1 470 . 1 1 42 42 VAL CA C 13 58.426 0.3 . 1 . . . . 161 VAL CA . 16722 1 471 . 1 1 42 42 VAL CB C 13 33.728 0.3 . 1 . . . . 161 VAL CB . 16722 1 472 . 1 1 42 42 VAL CG1 C 13 23.431 0.3 . 1 . . . . 161 VAL CG1 . 16722 1 473 . 1 1 42 42 VAL CG2 C 13 17.994 0.3 . 1 . . . . 161 VAL CG2 . 16722 1 474 . 1 1 42 42 VAL N N 15 112.828 0.3 . 1 . . . . 161 VAL N . 16722 1 475 . 1 1 43 43 TYR H H 1 8.346 0.020 . 1 . . . . 162 TYR H . 16722 1 476 . 1 1 43 43 TYR HA H 1 5.467 0.020 . 1 . . . . 162 TYR HA . 16722 1 477 . 1 1 43 43 TYR HB2 H 1 2.519 0.020 . 2 . . . . 162 TYR HB2 . 16722 1 478 . 1 1 43 43 TYR HB3 H 1 2.464 0.020 . 2 . . . . 162 TYR HB3 . 16722 1 479 . 1 1 43 43 TYR HD1 H 1 6.821 0.020 . 1 . . . . 162 TYR HD1 . 16722 1 480 . 1 1 43 43 TYR HD2 H 1 6.821 0.020 . 1 . . . . 162 TYR HD2 . 16722 1 481 . 1 1 43 43 TYR HE1 H 1 6.665 0.020 . 1 . . . . 162 TYR HE1 . 16722 1 482 . 1 1 43 43 TYR HE2 H 1 6.665 0.020 . 1 . . . . 162 TYR HE2 . 16722 1 483 . 1 1 43 43 TYR CA C 13 56.401 0.3 . 1 . . . . 162 TYR CA . 16722 1 484 . 1 1 43 43 TYR CB C 13 41.491 0.3 . 1 . . . . 162 TYR CB . 16722 1 485 . 1 1 43 43 TYR CD1 C 13 132.915 0.3 . 1 . . . . 162 TYR CD1 . 16722 1 486 . 1 1 43 43 TYR CE1 C 13 118.364 0.3 . 1 . . . . 162 TYR CE1 . 16722 1 487 . 1 1 43 43 TYR N N 15 120.980 0.3 . 1 . . . . 162 TYR N . 16722 1 488 . 1 1 44 44 TYR H H 1 8.450 0.020 . 1 . . . . 163 TYR H . 16722 1 489 . 1 1 44 44 TYR HA H 1 4.765 0.020 . 1 . . . . 163 TYR HA . 16722 1 490 . 1 1 44 44 TYR HB2 H 1 2.783 0.020 . 2 . . . . 163 TYR HB2 . 16722 1 491 . 1 1 44 44 TYR HB3 H 1 2.612 0.020 . 2 . . . . 163 TYR HB3 . 16722 1 492 . 1 1 44 44 TYR HD1 H 1 7.054 0.020 . 1 . . . . 163 TYR HD1 . 16722 1 493 . 1 1 44 44 TYR HD2 H 1 7.054 0.020 . 1 . . . . 163 TYR HD2 . 16722 1 494 . 1 1 44 44 TYR HE1 H 1 6.409 0.020 . 1 . . . . 163 TYR HE1 . 16722 1 495 . 1 1 44 44 TYR HE2 H 1 6.409 0.020 . 1 . . . . 163 TYR HE2 . 16722 1 496 . 1 1 44 44 TYR CA C 13 55.535 0.3 . 1 . . . . 163 TYR CA . 16722 1 497 . 1 1 44 44 TYR CB C 13 39.765 0.3 . 1 . . . . 163 TYR CB . 16722 1 498 . 1 1 44 44 TYR CD1 C 13 134.062 0.3 . 1 . . . . 163 TYR CD1 . 16722 1 499 . 1 1 44 44 TYR CE1 C 13 117.801 0.3 . 1 . . . . 163 TYR CE1 . 16722 1 500 . 1 1 44 44 TYR N N 15 110.793 0.3 . 1 . . . . 163 TYR N . 16722 1 501 . 1 1 45 45 ARG H H 1 7.889 0.020 . 1 . . . . 164 ARG H . 16722 1 502 . 1 1 45 45 ARG HA H 1 4.553 0.020 . 1 . . . . 164 ARG HA . 16722 1 503 . 1 1 45 45 ARG HB2 H 1 1.788 0.020 . 2 . . . . 164 ARG HB2 . 16722 1 504 . 1 1 45 45 ARG HB3 H 1 1.599 0.020 . 2 . . . . 164 ARG HB3 . 16722 1 505 . 1 1 45 45 ARG HD2 H 1 2.741 0.020 . 2 . . . . 164 ARG HD2 . 16722 1 506 . 1 1 45 45 ARG HD3 H 1 2.789 0.020 . 2 . . . . 164 ARG HD3 . 16722 1 507 . 1 1 45 45 ARG HE H 1 6.482 0.020 . 1 . . . . 164 ARG HE . 16722 1 508 . 1 1 45 45 ARG HG2 H 1 0.904 0.020 . 2 . . . . 164 ARG HG2 . 16722 1 509 . 1 1 45 45 ARG HG3 H 1 1.050 0.020 . 2 . . . . 164 ARG HG3 . 16722 1 510 . 1 1 45 45 ARG CA C 13 53.192 0.3 . 1 . . . . 164 ARG CA . 16722 1 511 . 1 1 45 45 ARG CB C 13 29.601 0.3 . 1 . . . . 164 ARG CB . 16722 1 512 . 1 1 45 45 ARG CD C 13 43.172 0.3 . 1 . . . . 164 ARG CD . 16722 1 513 . 1 1 45 45 ARG CG C 13 27.644 0.3 . 1 . . . . 164 ARG CG . 16722 1 514 . 1 1 45 45 ARG N N 15 120.260 0.3 . 1 . . . . 164 ARG N . 16722 1 515 . 1 1 45 45 ARG NE N 15 87.442 0.3 . 1 . . . . 164 ARG NE . 16722 1 516 . 1 1 46 46 PRO HA H 1 4.496 0.020 . 1 . . . . 165 PRO HA . 16722 1 517 . 1 1 46 46 PRO HB2 H 1 1.756 0.020 . 2 . . . . 165 PRO HB2 . 16722 1 518 . 1 1 46 46 PRO HB3 H 1 2.338 0.020 . 2 . . . . 165 PRO HB3 . 16722 1 519 . 1 1 46 46 PRO HD2 H 1 3.580 0.020 . 2 . . . . 165 PRO HD2 . 16722 1 520 . 1 1 46 46 PRO HD3 H 1 3.369 0.020 . 2 . . . . 165 PRO HD3 . 16722 1 521 . 1 1 46 46 PRO HG2 H 1 2.023 0.020 . 2 . . . . 165 PRO HG2 . 16722 1 522 . 1 1 46 46 PRO HG3 H 1 1.930 0.020 . 2 . . . . 165 PRO HG3 . 16722 1 523 . 1 1 46 46 PRO CA C 13 62.810 0.3 . 1 . . . . 165 PRO CA . 16722 1 524 . 1 1 46 46 PRO CB C 13 32.178 0.3 . 1 . . . . 165 PRO CB . 16722 1 525 . 1 1 46 46 PRO CD C 13 49.651 0.3 . 1 . . . . 165 PRO CD . 16722 1 526 . 1 1 46 46 PRO CG C 13 27.963 0.3 . 1 . . . . 165 PRO CG . 16722 1 527 . 1 1 47 47 VAL H H 1 8.545 0.020 . 1 . . . . 166 VAL H . 16722 1 528 . 1 1 47 47 VAL HA H 1 4.163 0.020 . 1 . . . . 166 VAL HA . 16722 1 529 . 1 1 47 47 VAL HB H 1 1.936 0.020 . 1 . . . . 166 VAL HB . 16722 1 530 . 1 1 47 47 VAL HG11 H 1 0.661 0.020 . 2 . . . . 166 VAL HG1 . 16722 1 531 . 1 1 47 47 VAL HG12 H 1 0.661 0.020 . 2 . . . . 166 VAL HG1 . 16722 1 532 . 1 1 47 47 VAL HG13 H 1 0.661 0.020 . 2 . . . . 166 VAL HG1 . 16722 1 533 . 1 1 47 47 VAL HG21 H 1 0.684 0.020 . 2 . . . . 166 VAL HG2 . 16722 1 534 . 1 1 47 47 VAL HG22 H 1 0.684 0.020 . 2 . . . . 166 VAL HG2 . 16722 1 535 . 1 1 47 47 VAL HG23 H 1 0.684 0.020 . 2 . . . . 166 VAL HG2 . 16722 1 536 . 1 1 47 47 VAL CA C 13 65.044 0.3 . 1 . . . . 166 VAL CA . 16722 1 537 . 1 1 47 47 VAL CB C 13 31.834 0.3 . 1 . . . . 166 VAL CB . 16722 1 538 . 1 1 47 47 VAL CG1 C 13 21.287 0.3 . 1 . . . . 166 VAL CG1 . 16722 1 539 . 1 1 47 47 VAL CG2 C 13 21.540 0.3 . 1 . . . . 166 VAL CG2 . 16722 1 540 . 1 1 47 47 VAL N N 15 120.128 0.3 . 1 . . . . 166 VAL N . 16722 1 541 . 1 1 48 48 SER H H 1 7.846 0.020 . 1 . . . . 167 SER H . 16722 1 542 . 1 1 48 48 SER HA H 1 4.156 0.020 . 1 . . . . 167 SER HA . 16722 1 543 . 1 1 48 48 SER HB2 H 1 3.930 0.020 . 2 . . . . 167 SER HB2 . 16722 1 544 . 1 1 48 48 SER HB3 H 1 3.608 0.020 . 2 . . . . 167 SER HB3 . 16722 1 545 . 1 1 48 48 SER CA C 13 58.670 0.3 . 1 . . . . 167 SER CA . 16722 1 546 . 1 1 48 48 SER CB C 13 62.204 0.3 . 1 . . . . 167 SER CB . 16722 1 547 . 1 1 48 48 SER N N 15 113.588 0.3 . 1 . . . . 167 SER N . 16722 1 548 . 1 1 49 49 GLN H H 1 8.134 0.020 . 1 . . . . 168 GLN H . 16722 1 549 . 1 1 49 49 GLN HA H 1 4.046 0.020 . 1 . . . . 168 GLN HA . 16722 1 550 . 1 1 49 49 GLN HB2 H 1 1.793 0.020 . 2 . . . . 168 GLN HB2 . 16722 1 551 . 1 1 49 49 GLN HB3 H 1 1.657 0.020 . 2 . . . . 168 GLN HB3 . 16722 1 552 . 1 1 49 49 GLN HE21 H 1 7.284 0.020 . 1 . . . . 168 GLN HE21 . 16722 1 553 . 1 1 49 49 GLN HE22 H 1 6.740 0.020 . 1 . . . . 168 GLN HE22 . 16722 1 554 . 1 1 49 49 GLN HG2 H 1 2.112 0.020 . 2 . . . . 168 GLN HG2 . 16722 1 555 . 1 1 49 49 GLN HG3 H 1 2.049 0.020 . 2 . . . . 168 GLN HG3 . 16722 1 556 . 1 1 49 49 GLN CA C 13 55.673 0.3 . 1 . . . . 168 GLN CA . 16722 1 557 . 1 1 49 49 GLN CB C 13 27.311 0.3 . 1 . . . . 168 GLN CB . 16722 1 558 . 1 1 49 49 GLN CG C 13 33.896 0.3 . 1 . . . . 168 GLN CG . 16722 1 559 . 1 1 49 49 GLN N N 15 119.316 0.3 . 1 . . . . 168 GLN N . 16722 1 560 . 1 1 49 49 GLN NE2 N 15 111.206 0.3 . 1 . . . . 168 GLN NE2 . 16722 1 561 . 1 1 50 50 TYR H H 1 7.826 0.020 . 1 . . . . 169 TYR H . 16722 1 562 . 1 1 50 50 TYR HA H 1 4.854 0.020 . 1 . . . . 169 TYR HA . 16722 1 563 . 1 1 50 50 TYR HB2 H 1 3.230 0.020 . 2 . . . . 169 TYR HB2 . 16722 1 564 . 1 1 50 50 TYR HB3 H 1 2.958 0.020 . 2 . . . . 169 TYR HB3 . 16722 1 565 . 1 1 50 50 TYR HD1 H 1 7.254 0.020 . 1 . . . . 169 TYR HD1 . 16722 1 566 . 1 1 50 50 TYR HD2 H 1 7.254 0.020 . 1 . . . . 169 TYR HD2 . 16722 1 567 . 1 1 50 50 TYR HE1 H 1 6.838 0.020 . 1 . . . . 169 TYR HE1 . 16722 1 568 . 1 1 50 50 TYR HE2 H 1 6.838 0.020 . 1 . . . . 169 TYR HE2 . 16722 1 569 . 1 1 50 50 TYR CA C 13 56.660 0.3 . 1 . . . . 169 TYR CA . 16722 1 570 . 1 1 50 50 TYR CB C 13 41.574 0.3 . 1 . . . . 169 TYR CB . 16722 1 571 . 1 1 50 50 TYR CD1 C 13 133.993 0.3 . 1 . . . . 169 TYR CD1 . 16722 1 572 . 1 1 50 50 TYR CE1 C 13 118.871 0.3 . 1 . . . . 169 TYR CE1 . 16722 1 573 . 1 1 50 50 TYR N N 15 116.838 0.3 . 1 . . . . 169 TYR N . 16722 1 574 . 1 1 51 51 SER H H 1 9.044 0.020 . 1 . . . . 170 SER H . 16722 1 575 . 1 1 51 51 SER HA H 1 4.472 0.020 . 1 . . . . 170 SER HA . 16722 1 576 . 1 1 51 51 SER HB2 H 1 3.962 0.020 . 2 . . . . 170 SER HB2 . 16722 1 577 . 1 1 51 51 SER HB3 H 1 3.865 0.020 . 2 . . . . 170 SER HB3 . 16722 1 578 . 1 1 51 51 SER CA C 13 58.443 0.3 . 1 . . . . 170 SER CA . 16722 1 579 . 1 1 51 51 SER CB C 13 63.413 0.3 . 1 . . . . 170 SER CB . 16722 1 580 . 1 1 51 51 SER N N 15 115.051 0.3 . 1 . . . . 170 SER N . 16722 1 581 . 1 1 52 52 ASN H H 1 7.546 0.020 . 1 . . . . 171 ASN H . 16722 1 582 . 1 1 52 52 ASN HA H 1 4.707 0.020 . 1 . . . . 171 ASN HA . 16722 1 583 . 1 1 52 52 ASN HB2 H 1 3.072 0.020 . 2 . . . . 171 ASN HB2 . 16722 1 584 . 1 1 52 52 ASN HB3 H 1 2.920 0.020 . 2 . . . . 171 ASN HB3 . 16722 1 585 . 1 1 52 52 ASN HD21 H 1 7.414 0.020 . 1 . . . . 171 ASN HD21 . 16722 1 586 . 1 1 52 52 ASN HD22 H 1 6.621 0.020 . 1 . . . . 171 ASN HD22 . 16722 1 587 . 1 1 52 52 ASN CA C 13 52.274 0.3 . 1 . . . . 171 ASN CA . 16722 1 588 . 1 1 52 52 ASN CB C 13 39.799 0.3 . 1 . . . . 171 ASN CB . 16722 1 589 . 1 1 52 52 ASN N N 15 114.554 0.3 . 1 . . . . 171 ASN N . 16722 1 590 . 1 1 52 52 ASN ND2 N 15 113.146 0.3 . 1 . . . . 171 ASN ND2 . 16722 1 591 . 1 1 53 53 GLN H H 1 8.549 0.020 . 1 . . . . 172 GLN H . 16722 1 592 . 1 1 53 53 GLN HA H 1 2.736 0.020 . 1 . . . . 172 GLN HA . 16722 1 593 . 1 1 53 53 GLN HB2 H 1 1.588 0.020 . 2 . . . . 172 GLN HB2 . 16722 1 594 . 1 1 53 53 GLN HB3 H 1 1.495 0.020 . 2 . . . . 172 GLN HB3 . 16722 1 595 . 1 1 53 53 GLN HE21 H 1 7.133 0.020 . 1 . . . . 172 GLN HE21 . 16722 1 596 . 1 1 53 53 GLN HE22 H 1 6.791 0.020 . 1 . . . . 172 GLN HE22 . 16722 1 597 . 1 1 53 53 GLN HG2 H 1 1.062 0.020 . 2 . . . . 172 GLN HG2 . 16722 1 598 . 1 1 53 53 GLN HG3 H 1 1.720 0.020 . 2 . . . . 172 GLN HG3 . 16722 1 599 . 1 1 53 53 GLN CA C 13 58.379 0.3 . 1 . . . . 172 GLN CA . 16722 1 600 . 1 1 53 53 GLN CB C 13 29.163 0.3 . 1 . . . . 172 GLN CB . 16722 1 601 . 1 1 53 53 GLN CG C 13 33.238 0.3 . 1 . . . . 172 GLN CG . 16722 1 602 . 1 1 53 53 GLN N N 15 119.702 0.3 . 1 . . . . 172 GLN N . 16722 1 603 . 1 1 53 53 GLN NE2 N 15 111.499 0.3 . 1 . . . . 172 GLN NE2 . 16722 1 604 . 1 1 54 54 ASN H H 1 8.509 0.020 . 1 . . . . 173 ASN H . 16722 1 605 . 1 1 54 54 ASN HA H 1 4.129 0.020 . 1 . . . . 173 ASN HA . 16722 1 606 . 1 1 54 54 ASN HB2 H 1 2.554 0.020 . 2 . . . . 173 ASN HB2 . 16722 1 607 . 1 1 54 54 ASN HB3 H 1 2.656 0.020 . 2 . . . . 173 ASN HB3 . 16722 1 608 . 1 1 54 54 ASN HD21 H 1 7.505 0.020 . 1 . . . . 173 ASN HD21 . 16722 1 609 . 1 1 54 54 ASN HD22 H 1 6.881 0.020 . 1 . . . . 173 ASN HD22 . 16722 1 610 . 1 1 54 54 ASN CA C 13 55.987 0.3 . 1 . . . . 173 ASN CA . 16722 1 611 . 1 1 54 54 ASN CB C 13 37.450 0.3 . 1 . . . . 173 ASN CB . 16722 1 612 . 1 1 54 54 ASN N N 15 118.197 0.3 . 1 . . . . 173 ASN N . 16722 1 613 . 1 1 54 54 ASN ND2 N 15 112.608 0.3 . 1 . . . . 173 ASN ND2 . 16722 1 614 . 1 1 55 55 ASN H H 1 8.359 0.020 . 1 . . . . 174 ASN H . 16722 1 615 . 1 1 55 55 ASN HA H 1 4.480 0.020 . 1 . . . . 174 ASN HA . 16722 1 616 . 1 1 55 55 ASN HB2 H 1 2.851 0.020 . 2 . . . . 174 ASN HB2 . 16722 1 617 . 1 1 55 55 ASN HB3 H 1 3.125 0.020 . 2 . . . . 174 ASN HB3 . 16722 1 618 . 1 1 55 55 ASN HD21 H 1 7.588 0.020 . 1 . . . . 174 ASN HD21 . 16722 1 619 . 1 1 55 55 ASN HD22 H 1 7.116 0.020 . 1 . . . . 174 ASN HD22 . 16722 1 620 . 1 1 55 55 ASN CA C 13 55.573 0.3 . 1 . . . . 174 ASN CA . 16722 1 621 . 1 1 55 55 ASN CB C 13 37.897 0.3 . 1 . . . . 174 ASN CB . 16722 1 622 . 1 1 55 55 ASN N N 15 117.440 0.3 . 1 . . . . 174 ASN N . 16722 1 623 . 1 1 55 55 ASN ND2 N 15 111.603 0.3 . 1 . . . . 174 ASN ND2 . 16722 1 624 . 1 1 56 56 PHE H H 1 7.140 0.020 . 1 . . . . 175 PHE H . 16722 1 625 . 1 1 56 56 PHE HA H 1 2.686 0.020 . 1 . . . . 175 PHE HA . 16722 1 626 . 1 1 56 56 PHE HB2 H 1 2.421 0.020 . 2 . . . . 175 PHE HB2 . 16722 1 627 . 1 1 56 56 PHE HB3 H 1 3.018 0.020 . 2 . . . . 175 PHE HB3 . 16722 1 628 . 1 1 56 56 PHE HD1 H 1 7.099 0.020 . 1 . . . . 175 PHE HD1 . 16722 1 629 . 1 1 56 56 PHE HD2 H 1 7.099 0.020 . 1 . . . . 175 PHE HD2 . 16722 1 630 . 1 1 56 56 PHE HE1 H 1 7.780 0.020 . 1 . . . . 175 PHE HE1 . 16722 1 631 . 1 1 56 56 PHE HE2 H 1 7.780 0.020 . 1 . . . . 175 PHE HE2 . 16722 1 632 . 1 1 56 56 PHE HZ H 1 6.608 0.020 . 1 . . . . 175 PHE HZ . 16722 1 633 . 1 1 56 56 PHE CA C 13 59.418 0.3 . 1 . . . . 175 PHE CA . 16722 1 634 . 1 1 56 56 PHE CB C 13 38.477 0.3 . 1 . . . . 175 PHE CB . 16722 1 635 . 1 1 56 56 PHE CD1 C 13 132.961 0.3 . 1 . . . . 175 PHE CD1 . 16722 1 636 . 1 1 56 56 PHE CE1 C 13 132.232 0.3 . 1 . . . . 175 PHE CE1 . 16722 1 637 . 1 1 56 56 PHE CZ C 13 129.137 0.3 . 1 . . . . 175 PHE CZ . 16722 1 638 . 1 1 56 56 PHE N N 15 121.485 0.3 . 1 . . . . 175 PHE N . 16722 1 639 . 1 1 57 57 VAL H H 1 8.822 0.020 . 1 . . . . 176 VAL H . 16722 1 640 . 1 1 57 57 VAL HA H 1 3.320 0.020 . 1 . . . . 176 VAL HA . 16722 1 641 . 1 1 57 57 VAL HB H 1 2.105 0.020 . 1 . . . . 176 VAL HB . 16722 1 642 . 1 1 57 57 VAL HG11 H 1 0.924 0.020 . 2 . . . . 176 VAL HG1 . 16722 1 643 . 1 1 57 57 VAL HG12 H 1 0.924 0.020 . 2 . . . . 176 VAL HG1 . 16722 1 644 . 1 1 57 57 VAL HG13 H 1 0.924 0.020 . 2 . . . . 176 VAL HG1 . 16722 1 645 . 1 1 57 57 VAL HG21 H 1 0.977 0.020 . 2 . . . . 176 VAL HG2 . 16722 1 646 . 1 1 57 57 VAL HG22 H 1 0.977 0.020 . 2 . . . . 176 VAL HG2 . 16722 1 647 . 1 1 57 57 VAL HG23 H 1 0.977 0.020 . 2 . . . . 176 VAL HG2 . 16722 1 648 . 1 1 57 57 VAL CA C 13 67.015 0.3 . 1 . . . . 176 VAL CA . 16722 1 649 . 1 1 57 57 VAL CB C 13 31.654 0.3 . 1 . . . . 176 VAL CB . 16722 1 650 . 1 1 57 57 VAL CG1 C 13 21.365 0.3 . 1 . . . . 176 VAL CG1 . 16722 1 651 . 1 1 57 57 VAL CG2 C 13 24.172 0.3 . 1 . . . . 176 VAL CG2 . 16722 1 652 . 1 1 57 57 VAL N N 15 120.129 0.3 . 1 . . . . 176 VAL N . 16722 1 653 . 1 1 58 58 HIS H H 1 8.334 0.020 . 1 . . . . 177 HIS H . 16722 1 654 . 1 1 58 58 HIS HA H 1 4.210 0.020 . 1 . . . . 177 HIS HA . 16722 1 655 . 1 1 58 58 HIS HB2 H 1 3.255 0.020 . 2 . . . . 177 HIS HB2 . 16722 1 656 . 1 1 58 58 HIS HB3 H 1 3.300 0.020 . 2 . . . . 177 HIS HB3 . 16722 1 657 . 1 1 58 58 HIS HD2 H 1 7.302 0.020 . 1 . . . . 177 HIS HD2 . 16722 1 658 . 1 1 58 58 HIS HE1 H 1 8.546 0.020 . 1 . . . . 177 HIS HE1 . 16722 1 659 . 1 1 58 58 HIS CA C 13 58.769 0.3 . 1 . . . . 177 HIS CA . 16722 1 660 . 1 1 58 58 HIS CB C 13 28.031 0.3 . 1 . . . . 177 HIS CB . 16722 1 661 . 1 1 58 58 HIS CD2 C 13 120.161 0.3 . 1 . . . . 177 HIS CD2 . 16722 1 662 . 1 1 58 58 HIS CE1 C 13 136.380 0.3 . 1 . . . . 177 HIS CE1 . 16722 1 663 . 1 1 58 58 HIS N N 15 116.342 0.3 . 1 . . . . 177 HIS N . 16722 1 664 . 1 1 59 59 ASP H H 1 7.368 0.020 . 1 . . . . 178 ASP H . 16722 1 665 . 1 1 59 59 ASP HA H 1 4.490 0.020 . 1 . . . . 178 ASP HA . 16722 1 666 . 1 1 59 59 ASP HB2 H 1 2.864 0.020 . 1 . . . . 178 ASP HB2 . 16722 1 667 . 1 1 59 59 ASP HB3 H 1 2.864 0.020 . 1 . . . . 178 ASP HB3 . 16722 1 668 . 1 1 59 59 ASP CA C 13 56.703 0.3 . 1 . . . . 178 ASP CA . 16722 1 669 . 1 1 59 59 ASP CB C 13 40.508 0.3 . 1 . . . . 178 ASP CB . 16722 1 670 . 1 1 59 59 ASP N N 15 118.366 0.3 . 1 . . . . 178 ASP N . 16722 1 671 . 1 1 60 60 CYS H H 1 8.074 0.020 . 1 . . . . 179 CYS H . 16722 1 672 . 1 1 60 60 CYS HA H 1 4.603 0.020 . 1 . . . . 179 CYS HA . 16722 1 673 . 1 1 60 60 CYS HB2 H 1 3.121 0.020 . 2 . . . . 179 CYS HB2 . 16722 1 674 . 1 1 60 60 CYS HB3 H 1 2.713 0.020 . 2 . . . . 179 CYS HB3 . 16722 1 675 . 1 1 60 60 CYS CA C 13 58.370 0.3 . 1 . . . . 179 CYS CA . 16722 1 676 . 1 1 60 60 CYS CB C 13 40.341 0.3 . 1 . . . . 179 CYS CB . 16722 1 677 . 1 1 60 60 CYS N N 15 119.374 0.3 . 1 . . . . 179 CYS N . 16722 1 678 . 1 1 61 61 VAL H H 1 9.095 0.020 . 1 . . . . 180 VAL H . 16722 1 679 . 1 1 61 61 VAL HA H 1 3.551 0.020 . 1 . . . . 180 VAL HA . 16722 1 680 . 1 1 61 61 VAL HB H 1 2.064 0.020 . 1 . . . . 180 VAL HB . 16722 1 681 . 1 1 61 61 VAL HG11 H 1 0.875 0.020 . 2 . . . . 180 VAL HG1 . 16722 1 682 . 1 1 61 61 VAL HG12 H 1 0.875 0.020 . 2 . . . . 180 VAL HG1 . 16722 1 683 . 1 1 61 61 VAL HG13 H 1 0.875 0.020 . 2 . . . . 180 VAL HG1 . 16722 1 684 . 1 1 61 61 VAL HG21 H 1 0.977 0.020 . 2 . . . . 180 VAL HG2 . 16722 1 685 . 1 1 61 61 VAL HG22 H 1 0.977 0.020 . 2 . . . . 180 VAL HG2 . 16722 1 686 . 1 1 61 61 VAL HG23 H 1 0.977 0.020 . 2 . . . . 180 VAL HG2 . 16722 1 687 . 1 1 61 61 VAL CA C 13 65.526 0.3 . 1 . . . . 180 VAL CA . 16722 1 688 . 1 1 61 61 VAL CB C 13 31.686 0.3 . 1 . . . . 180 VAL CB . 16722 1 689 . 1 1 61 61 VAL CG1 C 13 21.358 0.3 . 1 . . . . 180 VAL CG1 . 16722 1 690 . 1 1 61 61 VAL CG2 C 13 23.385 0.3 . 1 . . . . 180 VAL CG2 . 16722 1 691 . 1 1 61 61 VAL N N 15 124.338 0.3 . 1 . . . . 180 VAL N . 16722 1 692 . 1 1 62 62 ASN H H 1 7.549 0.020 . 1 . . . . 181 ASN H . 16722 1 693 . 1 1 62 62 ASN HA H 1 4.227 0.020 . 1 . . . . 181 ASN HA . 16722 1 694 . 1 1 62 62 ASN HB2 H 1 2.791 0.020 . 2 . . . . 181 ASN HB2 . 16722 1 695 . 1 1 62 62 ASN HB3 H 1 2.705 0.020 . 2 . . . . 181 ASN HB3 . 16722 1 696 . 1 1 62 62 ASN HD21 H 1 7.568 0.020 . 1 . . . . 181 ASN HD21 . 16722 1 697 . 1 1 62 62 ASN HD22 H 1 6.695 0.020 . 1 . . . . 181 ASN HD22 . 16722 1 698 . 1 1 62 62 ASN CA C 13 56.150 0.3 . 1 . . . . 181 ASN CA . 16722 1 699 . 1 1 62 62 ASN CB C 13 38.450 0.3 . 1 . . . . 181 ASN CB . 16722 1 700 . 1 1 62 62 ASN N N 15 116.400 0.3 . 1 . . . . 181 ASN N . 16722 1 701 . 1 1 62 62 ASN ND2 N 15 111.691 0.3 . 1 . . . . 181 ASN ND2 . 16722 1 702 . 1 1 63 63 ILE H H 1 8.719 0.020 . 1 . . . . 182 ILE H . 16722 1 703 . 1 1 63 63 ILE HA H 1 3.630 0.020 . 1 . . . . 182 ILE HA . 16722 1 704 . 1 1 63 63 ILE HB H 1 1.486 0.020 . 1 . . . . 182 ILE HB . 16722 1 705 . 1 1 63 63 ILE HD11 H 1 0.341 0.020 . 1 . . . . 182 ILE HD1 . 16722 1 706 . 1 1 63 63 ILE HD12 H 1 0.341 0.020 . 1 . . . . 182 ILE HD1 . 16722 1 707 . 1 1 63 63 ILE HD13 H 1 0.341 0.020 . 1 . . . . 182 ILE HD1 . 16722 1 708 . 1 1 63 63 ILE HG12 H 1 0.784 0.020 . 1 . . . . 182 ILE HG12 . 16722 1 709 . 1 1 63 63 ILE HG13 H 1 0.784 0.020 . 1 . . . . 182 ILE HG13 . 16722 1 710 . 1 1 63 63 ILE HG21 H 1 0.141 0.020 . 1 . . . . 182 ILE HG2 . 16722 1 711 . 1 1 63 63 ILE HG22 H 1 0.141 0.020 . 1 . . . . 182 ILE HG2 . 16722 1 712 . 1 1 63 63 ILE HG23 H 1 0.141 0.020 . 1 . . . . 182 ILE HG2 . 16722 1 713 . 1 1 63 63 ILE CA C 13 61.853 0.3 . 1 . . . . 182 ILE CA . 16722 1 714 . 1 1 63 63 ILE CB C 13 36.333 0.3 . 1 . . . . 182 ILE CB . 16722 1 715 . 1 1 63 63 ILE CD1 C 13 11.337 0.3 . 1 . . . . 182 ILE CD1 . 16722 1 716 . 1 1 63 63 ILE CG1 C 13 27.305 0.3 . 1 . . . . 182 ILE CG1 . 16722 1 717 . 1 1 63 63 ILE CG2 C 13 18.223 0.3 . 1 . . . . 182 ILE CG2 . 16722 1 718 . 1 1 63 63 ILE N N 15 118.685 0.3 . 1 . . . . 182 ILE N . 16722 1 719 . 1 1 64 64 THR H H 1 8.038 0.020 . 1 . . . . 183 THR H . 16722 1 720 . 1 1 64 64 THR HA H 1 3.958 0.020 . 1 . . . . 183 THR HA . 16722 1 721 . 1 1 64 64 THR HB H 1 4.404 0.020 . 1 . . . . 183 THR HB . 16722 1 722 . 1 1 64 64 THR HG21 H 1 1.418 0.020 . 1 . . . . 183 THR HG2 . 16722 1 723 . 1 1 64 64 THR HG22 H 1 1.418 0.020 . 1 . . . . 183 THR HG2 . 16722 1 724 . 1 1 64 64 THR HG23 H 1 1.418 0.020 . 1 . . . . 183 THR HG2 . 16722 1 725 . 1 1 64 64 THR CA C 13 68.125 0.3 . 1 . . . . 183 THR CA . 16722 1 726 . 1 1 64 64 THR CB C 13 67.675 0.3 . 1 . . . . 183 THR CB . 16722 1 727 . 1 1 64 64 THR CG2 C 13 21.993 0.3 . 1 . . . . 183 THR CG2 . 16722 1 728 . 1 1 64 64 THR N N 15 117.874 0.3 . 1 . . . . 183 THR N . 16722 1 729 . 1 1 65 65 ILE H H 1 8.492 0.020 . 1 . . . . 184 ILE H . 16722 1 730 . 1 1 65 65 ILE HA H 1 3.643 0.020 . 1 . . . . 184 ILE HA . 16722 1 731 . 1 1 65 65 ILE HB H 1 2.018 0.020 . 1 . . . . 184 ILE HB . 16722 1 732 . 1 1 65 65 ILE HD11 H 1 0.693 0.020 . 1 . . . . 184 ILE HD1 . 16722 1 733 . 1 1 65 65 ILE HD12 H 1 0.693 0.020 . 1 . . . . 184 ILE HD1 . 16722 1 734 . 1 1 65 65 ILE HD13 H 1 0.693 0.020 . 1 . . . . 184 ILE HD1 . 16722 1 735 . 1 1 65 65 ILE HG12 H 1 1.712 0.020 . 2 . . . . 184 ILE HG12 . 16722 1 736 . 1 1 65 65 ILE HG13 H 1 1.190 0.020 . 2 . . . . 184 ILE HG13 . 16722 1 737 . 1 1 65 65 ILE HG21 H 1 0.806 0.020 . 1 . . . . 184 ILE HG2 . 16722 1 738 . 1 1 65 65 ILE HG22 H 1 0.806 0.020 . 1 . . . . 184 ILE HG2 . 16722 1 739 . 1 1 65 65 ILE HG23 H 1 0.806 0.020 . 1 . . . . 184 ILE HG2 . 16722 1 740 . 1 1 65 65 ILE CA C 13 64.892 0.3 . 1 . . . . 184 ILE CA . 16722 1 741 . 1 1 65 65 ILE CB C 13 36.332 0.3 . 1 . . . . 184 ILE CB . 16722 1 742 . 1 1 65 65 ILE CD1 C 13 12.639 0.3 . 1 . . . . 184 ILE CD1 . 16722 1 743 . 1 1 65 65 ILE CG1 C 13 29.262 0.3 . 1 . . . . 184 ILE CG1 . 16722 1 744 . 1 1 65 65 ILE CG2 C 13 16.746 0.3 . 1 . . . . 184 ILE CG2 . 16722 1 745 . 1 1 65 65 ILE N N 15 120.537 0.3 . 1 . . . . 184 ILE N . 16722 1 746 . 1 1 66 66 LYS H H 1 7.961 0.020 . 1 . . . . 185 LYS H . 16722 1 747 . 1 1 66 66 LYS HA H 1 3.969 0.020 . 1 . . . . 185 LYS HA . 16722 1 748 . 1 1 66 66 LYS HB2 H 1 1.785 0.020 . 2 . . . . 185 LYS HB2 . 16722 1 749 . 1 1 66 66 LYS HB3 H 1 1.857 0.020 . 2 . . . . 185 LYS HB3 . 16722 1 750 . 1 1 66 66 LYS HD2 H 1 1.510 0.020 . 1 . . . . 185 LYS HD2 . 16722 1 751 . 1 1 66 66 LYS HD3 H 1 1.510 0.020 . 1 . . . . 185 LYS HD3 . 16722 1 752 . 1 1 66 66 LYS HE2 H 1 2.831 0.020 . 1 . . . . 185 LYS HE2 . 16722 1 753 . 1 1 66 66 LYS HE3 H 1 2.831 0.020 . 1 . . . . 185 LYS HE3 . 16722 1 754 . 1 1 66 66 LYS HG2 H 1 1.299 0.020 . 2 . . . . 185 LYS HG2 . 16722 1 755 . 1 1 66 66 LYS HG3 H 1 1.406 0.020 . 2 . . . . 185 LYS HG3 . 16722 1 756 . 1 1 66 66 LYS CA C 13 59.416 0.3 . 1 . . . . 185 LYS CA . 16722 1 757 . 1 1 66 66 LYS CB C 13 31.870 0.3 . 1 . . . . 185 LYS CB . 16722 1 758 . 1 1 66 66 LYS CD C 13 28.790 0.3 . 1 . . . . 185 LYS CD . 16722 1 759 . 1 1 66 66 LYS CE C 13 41.568 0.3 . 1 . . . . 185 LYS CE . 16722 1 760 . 1 1 66 66 LYS CG C 13 24.735 0.3 . 1 . . . . 185 LYS CG . 16722 1 761 . 1 1 66 66 LYS N N 15 122.349 0.3 . 1 . . . . 185 LYS N . 16722 1 762 . 1 1 67 67 GLN H H 1 8.172 0.020 . 1 . . . . 186 GLN H . 16722 1 763 . 1 1 67 67 GLN HA H 1 3.941 0.020 . 1 . . . . 186 GLN HA . 16722 1 764 . 1 1 67 67 GLN HB2 H 1 1.869 0.020 . 2 . . . . 186 GLN HB2 . 16722 1 765 . 1 1 67 67 GLN HB3 H 1 1.765 0.020 . 2 . . . . 186 GLN HB3 . 16722 1 766 . 1 1 67 67 GLN HE21 H 1 6.645 0.020 . 1 . . . . 186 GLN HE21 . 16722 1 767 . 1 1 67 67 GLN HE22 H 1 6.622 0.020 . 1 . . . . 186 GLN HE22 . 16722 1 768 . 1 1 67 67 GLN HG2 H 1 1.992 0.020 . 2 . . . . 186 GLN HG2 . 16722 1 769 . 1 1 67 67 GLN HG3 H 1 1.407 0.020 . 2 . . . . 186 GLN HG3 . 16722 1 770 . 1 1 67 67 GLN CA C 13 56.945 0.3 . 1 . . . . 186 GLN CA . 16722 1 771 . 1 1 67 67 GLN CB C 13 27.967 0.3 . 1 . . . . 186 GLN CB . 16722 1 772 . 1 1 67 67 GLN CG C 13 33.126 0.3 . 1 . . . . 186 GLN CG . 16722 1 773 . 1 1 67 67 GLN N N 15 115.905 0.3 . 1 . . . . 186 GLN N . 16722 1 774 . 1 1 67 67 GLN NE2 N 15 109.896 0.3 . 1 . . . . 186 GLN NE2 . 16722 1 775 . 1 1 68 68 HIS H H 1 7.926 0.020 . 1 . . . . 187 HIS H . 16722 1 776 . 1 1 68 68 HIS HA H 1 4.525 0.020 . 1 . . . . 187 HIS HA . 16722 1 777 . 1 1 68 68 HIS HB2 H 1 3.294 0.020 . 2 . . . . 187 HIS HB2 . 16722 1 778 . 1 1 68 68 HIS HB3 H 1 3.210 0.020 . 2 . . . . 187 HIS HB3 . 16722 1 779 . 1 1 68 68 HIS HD2 H 1 7.271 0.020 . 1 . . . . 187 HIS HD2 . 16722 1 780 . 1 1 68 68 HIS HE1 H 1 8.232 0.020 . 1 . . . . 187 HIS HE1 . 16722 1 781 . 1 1 68 68 HIS CA C 13 57.684 0.3 . 1 . . . . 187 HIS CA . 16722 1 782 . 1 1 68 68 HIS CB C 13 29.424 0.3 . 1 . . . . 187 HIS CB . 16722 1 783 . 1 1 68 68 HIS CD2 C 13 119.337 0.3 . 1 . . . . 187 HIS CD2 . 16722 1 784 . 1 1 68 68 HIS N N 15 116.968 0.3 . 1 . . . . 187 HIS N . 16722 1 785 . 1 1 69 69 THR H H 1 8.053 0.020 . 1 . . . . 188 THR H . 16722 1 786 . 1 1 69 69 THR HA H 1 4.182 0.020 . 1 . . . . 188 THR HA . 16722 1 787 . 1 1 69 69 THR HB H 1 4.310 0.020 . 1 . . . . 188 THR HB . 16722 1 788 . 1 1 69 69 THR HG21 H 1 1.149 0.020 . 1 . . . . 188 THR HG2 . 16722 1 789 . 1 1 69 69 THR HG22 H 1 1.149 0.020 . 1 . . . . 188 THR HG2 . 16722 1 790 . 1 1 69 69 THR HG23 H 1 1.149 0.020 . 1 . . . . 188 THR HG2 . 16722 1 791 . 1 1 69 69 THR CA C 13 63.823 0.3 . 1 . . . . 188 THR CA . 16722 1 792 . 1 1 69 69 THR CB C 13 68.803 0.3 . 1 . . . . 188 THR CB . 16722 1 793 . 1 1 69 69 THR CG2 C 13 21.296 0.3 . 1 . . . . 188 THR CG2 . 16722 1 794 . 1 1 69 69 THR N N 15 113.430 0.3 . 1 . . . . 188 THR N . 16722 1 795 . 1 1 70 70 VAL H H 1 7.897 0.020 . 1 . . . . 189 VAL H . 16722 1 796 . 1 1 70 70 VAL HA H 1 3.981 0.020 . 1 . . . . 189 VAL HA . 16722 1 797 . 1 1 70 70 VAL HB H 1 2.115 0.020 . 1 . . . . 189 VAL HB . 16722 1 798 . 1 1 70 70 VAL HG11 H 1 0.869 0.020 . 2 . . . . 189 VAL HG1 . 16722 1 799 . 1 1 70 70 VAL HG12 H 1 0.869 0.020 . 2 . . . . 189 VAL HG1 . 16722 1 800 . 1 1 70 70 VAL HG13 H 1 0.869 0.020 . 2 . . . . 189 VAL HG1 . 16722 1 801 . 1 1 70 70 VAL HG21 H 1 0.923 0.020 . 2 . . . . 189 VAL HG2 . 16722 1 802 . 1 1 70 70 VAL HG22 H 1 0.923 0.020 . 2 . . . . 189 VAL HG2 . 16722 1 803 . 1 1 70 70 VAL HG23 H 1 0.923 0.020 . 2 . . . . 189 VAL HG2 . 16722 1 804 . 1 1 70 70 VAL CA C 13 63.716 0.3 . 1 . . . . 189 VAL CA . 16722 1 805 . 1 1 70 70 VAL CB C 13 31.899 0.3 . 1 . . . . 189 VAL CB . 16722 1 806 . 1 1 70 70 VAL CG1 C 13 20.851 0.3 . 1 . . . . 189 VAL CG1 . 16722 1 807 . 1 1 70 70 VAL CG2 C 13 20.995 0.3 . 1 . . . . 189 VAL CG2 . 16722 1 808 . 1 1 70 70 VAL N N 15 121.516 0.3 . 1 . . . . 189 VAL N . 16722 1 809 . 1 1 71 71 THR H H 1 7.971 0.020 . 1 . . . . 190 THR H . 16722 1 810 . 1 1 71 71 THR HA H 1 4.205 0.020 . 1 . . . . 190 THR HA . 16722 1 811 . 1 1 71 71 THR HB H 1 4.190 0.020 . 1 . . . . 190 THR HB . 16722 1 812 . 1 1 71 71 THR HG21 H 1 1.164 0.020 . 1 . . . . 190 THR HG2 . 16722 1 813 . 1 1 71 71 THR HG22 H 1 1.164 0.020 . 1 . . . . 190 THR HG2 . 16722 1 814 . 1 1 71 71 THR HG23 H 1 1.164 0.020 . 1 . . . . 190 THR HG2 . 16722 1 815 . 1 1 71 71 THR CA C 13 62.754 0.3 . 1 . . . . 190 THR CA . 16722 1 816 . 1 1 71 71 THR CB C 13 68.823 0.3 . 1 . . . . 190 THR CB . 16722 1 817 . 1 1 71 71 THR CG2 C 13 21.474 0.3 . 1 . . . . 190 THR CG2 . 16722 1 818 . 1 1 71 71 THR N N 15 115.102 0.3 . 1 . . . . 190 THR N . 16722 1 819 . 1 1 72 72 THR H H 1 7.926 0.020 . 1 . . . . 191 THR H . 16722 1 820 . 1 1 72 72 THR HA H 1 4.205 0.020 . 1 . . . . 191 THR HA . 16722 1 821 . 1 1 72 72 THR HB H 1 4.125 0.020 . 1 . . . . 191 THR HB . 16722 1 822 . 1 1 72 72 THR HG21 H 1 0.995 0.020 . 1 . . . . 191 THR HG2 . 16722 1 823 . 1 1 72 72 THR HG22 H 1 0.995 0.020 . 1 . . . . 191 THR HG2 . 16722 1 824 . 1 1 72 72 THR HG23 H 1 0.995 0.020 . 1 . . . . 191 THR HG2 . 16722 1 825 . 1 1 72 72 THR CA C 13 62.638 0.3 . 1 . . . . 191 THR CA . 16722 1 826 . 1 1 72 72 THR CB C 13 68.644 0.3 . 1 . . . . 191 THR CB . 16722 1 827 . 1 1 72 72 THR CG2 C 13 21.206 0.3 . 1 . . . . 191 THR CG2 . 16722 1 828 . 1 1 72 72 THR N N 15 114.863 0.3 . 1 . . . . 191 THR N . 16722 1 829 . 1 1 73 73 THR H H 1 8.090 0.020 . 1 . . . . 192 THR H . 16722 1 830 . 1 1 73 73 THR HA H 1 4.313 0.020 . 1 . . . . 192 THR HA . 16722 1 831 . 1 1 73 73 THR HB H 1 4.276 0.020 . 1 . . . . 192 THR HB . 16722 1 832 . 1 1 73 73 THR HG21 H 1 1.178 0.020 . 1 . . . . 192 THR HG2 . 16722 1 833 . 1 1 73 73 THR HG22 H 1 1.178 0.020 . 1 . . . . 192 THR HG2 . 16722 1 834 . 1 1 73 73 THR HG23 H 1 1.178 0.020 . 1 . . . . 192 THR HG2 . 16722 1 835 . 1 1 73 73 THR CA C 13 62.789 0.3 . 1 . . . . 192 THR CA . 16722 1 836 . 1 1 73 73 THR CB C 13 68.759 0.3 . 1 . . . . 192 THR CB . 16722 1 837 . 1 1 73 73 THR CG2 C 13 21.335 0.3 . 1 . . . . 192 THR CG2 . 16722 1 838 . 1 1 73 73 THR N N 15 115.772 0.3 . 1 . . . . 192 THR N . 16722 1 839 . 1 1 74 74 THR H H 1 7.921 0.020 . 1 . . . . 193 THR H . 16722 1 840 . 1 1 74 74 THR HA H 1 4.213 0.020 . 1 . . . . 193 THR HA . 16722 1 841 . 1 1 74 74 THR HB H 1 4.184 0.020 . 1 . . . . 193 THR HB . 16722 1 842 . 1 1 74 74 THR HG21 H 1 1.162 0.020 . 1 . . . . 193 THR HG2 . 16722 1 843 . 1 1 74 74 THR HG22 H 1 1.162 0.020 . 1 . . . . 193 THR HG2 . 16722 1 844 . 1 1 74 74 THR HG23 H 1 1.162 0.020 . 1 . . . . 193 THR HG2 . 16722 1 845 . 1 1 74 74 THR CA C 13 62.685 0.3 . 1 . . . . 193 THR CA . 16722 1 846 . 1 1 74 74 THR CB C 13 68.753 0.3 . 1 . . . . 193 THR CB . 16722 1 847 . 1 1 74 74 THR CG2 C 13 21.424 0.3 . 1 . . . . 193 THR CG2 . 16722 1 848 . 1 1 74 74 THR N N 15 115.868 0.3 . 1 . . . . 193 THR N . 16722 1 849 . 1 1 75 75 LYS H H 1 7.935 0.020 . 1 . . . . 194 LYS H . 16722 1 850 . 1 1 75 75 LYS HA H 1 4.233 0.020 . 1 . . . . 194 LYS HA . 16722 1 851 . 1 1 75 75 LYS HB2 H 1 1.831 0.020 . 2 . . . . 194 LYS HB2 . 16722 1 852 . 1 1 75 75 LYS HB3 H 1 1.717 0.020 . 2 . . . . 194 LYS HB3 . 16722 1 853 . 1 1 75 75 LYS HD2 H 1 1.583 0.020 . 1 . . . . 194 LYS HD2 . 16722 1 854 . 1 1 75 75 LYS HD3 H 1 1.583 0.020 . 1 . . . . 194 LYS HD3 . 16722 1 855 . 1 1 75 75 LYS HE2 H 1 2.897 0.020 . 1 . . . . 194 LYS HE2 . 16722 1 856 . 1 1 75 75 LYS HE3 H 1 2.897 0.020 . 1 . . . . 194 LYS HE3 . 16722 1 857 . 1 1 75 75 LYS HG2 H 1 1.406 0.020 . 2 . . . . 194 LYS HG2 . 16722 1 858 . 1 1 75 75 LYS HG3 H 1 1.342 0.020 . 2 . . . . 194 LYS HG3 . 16722 1 859 . 1 1 75 75 LYS CA C 13 56.203 0.3 . 1 . . . . 194 LYS CA . 16722 1 860 . 1 1 75 75 LYS CB C 13 32.256 0.3 . 1 . . . . 194 LYS CB . 16722 1 861 . 1 1 75 75 LYS CD C 13 28.792 0.3 . 1 . . . . 194 LYS CD . 16722 1 862 . 1 1 75 75 LYS CE C 13 41.636 0.3 . 1 . . . . 194 LYS CE . 16722 1 863 . 1 1 75 75 LYS CG C 13 24.482 0.3 . 1 . . . . 194 LYS CG . 16722 1 864 . 1 1 75 75 LYS N N 15 121.600 0.3 . 1 . . . . 194 LYS N . 16722 1 865 . 1 1 76 76 GLY H H 1 8.130 0.020 . 1 . . . . 195 GLY H . 16722 1 866 . 1 1 76 76 GLY HA2 H 1 3.948 0.020 . 1 . . . . 195 GLY HA2 . 16722 1 867 . 1 1 76 76 GLY CA C 13 45.039 0.3 . 1 . . . . 195 GLY CA . 16722 1 868 . 1 1 76 76 GLY N N 15 109.241 0.3 . 1 . . . . 195 GLY N . 16722 1 869 . 1 1 77 77 GLU H H 1 7.788 0.020 . 1 . . . . 196 GLU H . 16722 1 870 . 1 1 77 77 GLU HA H 1 4.180 0.020 . 1 . . . . 196 GLU HA . 16722 1 871 . 1 1 77 77 GLU HB2 H 1 1.681 0.020 . 1 . . . . 196 GLU HB2 . 16722 1 872 . 1 1 77 77 GLU HB3 H 1 1.681 0.020 . 1 . . . . 196 GLU HB3 . 16722 1 873 . 1 1 77 77 GLU HG2 H 1 2.102 0.020 . 1 . . . . 196 GLU HG2 . 16722 1 874 . 1 1 77 77 GLU HG3 H 1 2.102 0.020 . 1 . . . . 196 GLU HG3 . 16722 1 875 . 1 1 77 77 GLU CA C 13 55.349 0.3 . 1 . . . . 196 GLU CA . 16722 1 876 . 1 1 77 77 GLU CB C 13 29.880 0.3 . 1 . . . . 196 GLU CB . 16722 1 877 . 1 1 77 77 GLU CG C 13 34.662 0.3 . 1 . . . . 196 GLU CG . 16722 1 878 . 1 1 77 77 GLU N N 15 119.706 0.3 . 1 . . . . 196 GLU N . 16722 1 879 . 1 1 78 78 ASN H H 1 8.380 0.020 . 1 . . . . 197 ASN H . 16722 1 880 . 1 1 78 78 ASN HA H 1 4.578 0.020 . 1 . . . . 197 ASN HA . 16722 1 881 . 1 1 78 78 ASN HB2 H 1 2.652 0.020 . 2 . . . . 197 ASN HB2 . 16722 1 882 . 1 1 78 78 ASN HB3 H 1 2.563 0.020 . 2 . . . . 197 ASN HB3 . 16722 1 883 . 1 1 78 78 ASN HD21 H 1 7.461 0.020 . 1 . . . . 197 ASN HD21 . 16722 1 884 . 1 1 78 78 ASN HD22 H 1 6.774 0.020 . 1 . . . . 197 ASN HD22 . 16722 1 885 . 1 1 78 78 ASN CA C 13 52.482 0.3 . 1 . . . . 197 ASN CA . 16722 1 886 . 1 1 78 78 ASN CB C 13 39.343 0.3 . 1 . . . . 197 ASN CB . 16722 1 887 . 1 1 78 78 ASN N N 15 119.786 0.3 . 1 . . . . 197 ASN N . 16722 1 888 . 1 1 78 78 ASN ND2 N 15 112.743 0.3 . 1 . . . . 197 ASN ND2 . 16722 1 889 . 1 1 79 79 PHE H H 1 8.493 0.020 . 1 . . . . 198 PHE H . 16722 1 890 . 1 1 79 79 PHE HA H 1 5.134 0.020 . 1 . . . . 198 PHE HA . 16722 1 891 . 1 1 79 79 PHE HB2 H 1 2.925 0.020 . 2 . . . . 198 PHE HB2 . 16722 1 892 . 1 1 79 79 PHE HB3 H 1 3.104 0.020 . 2 . . . . 198 PHE HB3 . 16722 1 893 . 1 1 79 79 PHE HD1 H 1 7.261 0.020 . 1 . . . . 198 PHE HD1 . 16722 1 894 . 1 1 79 79 PHE HD2 H 1 7.261 0.020 . 1 . . . . 198 PHE HD2 . 16722 1 895 . 1 1 79 79 PHE HE1 H 1 7.361 0.020 . 1 . . . . 198 PHE HE1 . 16722 1 896 . 1 1 79 79 PHE HE2 H 1 7.361 0.020 . 1 . . . . 198 PHE HE2 . 16722 1 897 . 1 1 79 79 PHE HZ H 1 7.292 0.020 . 1 . . . . 198 PHE HZ . 16722 1 898 . 1 1 79 79 PHE CA C 13 56.455 0.3 . 1 . . . . 198 PHE CA . 16722 1 899 . 1 1 79 79 PHE CB C 13 39.640 0.3 . 1 . . . . 198 PHE CB . 16722 1 900 . 1 1 79 79 PHE CD1 C 13 131.428 0.3 . 1 . . . . 198 PHE CD1 . 16722 1 901 . 1 1 79 79 PHE CE1 C 13 129.836 0.3 . 1 . . . . 198 PHE CE1 . 16722 1 902 . 1 1 79 79 PHE CZ C 13 131.316 0.3 . 1 . . . . 198 PHE CZ . 16722 1 903 . 1 1 79 79 PHE N N 15 121.788 0.3 . 1 . . . . 198 PHE N . 16722 1 904 . 1 1 80 80 THR H H 1 9.379 0.020 . 1 . . . . 199 THR H . 16722 1 905 . 1 1 80 80 THR HA H 1 4.542 0.020 . 1 . . . . 199 THR HA . 16722 1 906 . 1 1 80 80 THR HB H 1 4.724 0.020 . 1 . . . . 199 THR HB . 16722 1 907 . 1 1 80 80 THR HG21 H 1 1.353 0.020 . 1 . . . . 199 THR HG2 . 16722 1 908 . 1 1 80 80 THR HG22 H 1 1.353 0.020 . 1 . . . . 199 THR HG2 . 16722 1 909 . 1 1 80 80 THR HG23 H 1 1.353 0.020 . 1 . . . . 199 THR HG2 . 16722 1 910 . 1 1 80 80 THR CA C 13 60.242 0.3 . 1 . . . . 199 THR CA . 16722 1 911 . 1 1 80 80 THR CB C 13 71.766 0.3 . 1 . . . . 199 THR CB . 16722 1 912 . 1 1 80 80 THR CG2 C 13 21.436 0.3 . 1 . . . . 199 THR CG2 . 16722 1 913 . 1 1 80 80 THR N N 15 116.015 0.3 . 1 . . . . 199 THR N . 16722 1 914 . 1 1 81 81 GLU H H 1 9.020 0.020 . 1 . . . . 200 GLU H . 16722 1 915 . 1 1 81 81 GLU HA H 1 4.023 0.020 . 1 . . . . 200 GLU HA . 16722 1 916 . 1 1 81 81 GLU HB2 H 1 2.067 0.020 . 2 . . . . 200 GLU HB2 . 16722 1 917 . 1 1 81 81 GLU HB3 H 1 1.994 0.020 . 2 . . . . 200 GLU HB3 . 16722 1 918 . 1 1 81 81 GLU HG2 H 1 2.374 0.020 . 2 . . . . 200 GLU HG2 . 16722 1 919 . 1 1 81 81 GLU HG3 H 1 2.318 0.020 . 2 . . . . 200 GLU HG3 . 16722 1 920 . 1 1 81 81 GLU CA C 13 59.189 0.3 . 1 . . . . 200 GLU CA . 16722 1 921 . 1 1 81 81 GLU CB C 13 28.219 0.3 . 1 . . . . 200 GLU CB . 16722 1 922 . 1 1 81 81 GLU CG C 13 34.777 0.3 . 1 . . . . 200 GLU CG . 16722 1 923 . 1 1 81 81 GLU N N 15 119.789 0.3 . 1 . . . . 200 GLU N . 16722 1 924 . 1 1 82 82 THR H H 1 7.881 0.020 . 1 . . . . 201 THR H . 16722 1 925 . 1 1 82 82 THR HA H 1 3.723 0.020 . 1 . . . . 201 THR HA . 16722 1 926 . 1 1 82 82 THR HB H 1 3.688 0.020 . 1 . . . . 201 THR HB . 16722 1 927 . 1 1 82 82 THR HG21 H 1 0.685 0.020 . 1 . . . . 201 THR HG2 . 16722 1 928 . 1 1 82 82 THR HG22 H 1 0.685 0.020 . 1 . . . . 201 THR HG2 . 16722 1 929 . 1 1 82 82 THR HG23 H 1 0.685 0.020 . 1 . . . . 201 THR HG2 . 16722 1 930 . 1 1 82 82 THR CA C 13 66.263 0.3 . 1 . . . . 201 THR CA . 16722 1 931 . 1 1 82 82 THR CB C 13 68.075 0.3 . 1 . . . . 201 THR CB . 16722 1 932 . 1 1 82 82 THR CG2 C 13 21.111 0.3 . 1 . . . . 201 THR CG2 . 16722 1 933 . 1 1 82 82 THR N N 15 116.065 0.3 . 1 . . . . 201 THR N . 16722 1 934 . 1 1 83 83 ASP H H 1 7.431 0.020 . 1 . . . . 202 ASP H . 16722 1 935 . 1 1 83 83 ASP HA H 1 4.478 0.020 . 1 . . . . 202 ASP HA . 16722 1 936 . 1 1 83 83 ASP HB2 H 1 3.152 0.020 . 2 . . . . 202 ASP HB2 . 16722 1 937 . 1 1 83 83 ASP HB3 H 1 2.406 0.020 . 2 . . . . 202 ASP HB3 . 16722 1 938 . 1 1 83 83 ASP CA C 13 57.688 0.3 . 1 . . . . 202 ASP CA . 16722 1 939 . 1 1 83 83 ASP CB C 13 40.863 0.3 . 1 . . . . 202 ASP CB . 16722 1 940 . 1 1 83 83 ASP N N 15 119.991 0.3 . 1 . . . . 202 ASP N . 16722 1 941 . 1 1 84 84 VAL H H 1 8.140 0.020 . 1 . . . . 203 VAL H . 16722 1 942 . 1 1 84 84 VAL HA H 1 3.284 0.020 . 1 . . . . 203 VAL HA . 16722 1 943 . 1 1 84 84 VAL HB H 1 2.062 0.020 . 1 . . . . 203 VAL HB . 16722 1 944 . 1 1 84 84 VAL HG11 H 1 0.938 0.020 . 2 . . . . 203 VAL HG1 . 16722 1 945 . 1 1 84 84 VAL HG12 H 1 0.938 0.020 . 2 . . . . 203 VAL HG1 . 16722 1 946 . 1 1 84 84 VAL HG13 H 1 0.938 0.020 . 2 . . . . 203 VAL HG1 . 16722 1 947 . 1 1 84 84 VAL HG21 H 1 0.827 0.020 . 2 . . . . 203 VAL HG2 . 16722 1 948 . 1 1 84 84 VAL HG22 H 1 0.827 0.020 . 2 . . . . 203 VAL HG2 . 16722 1 949 . 1 1 84 84 VAL HG23 H 1 0.827 0.020 . 2 . . . . 203 VAL HG2 . 16722 1 950 . 1 1 84 84 VAL CA C 13 67.021 0.3 . 1 . . . . 203 VAL CA . 16722 1 951 . 1 1 84 84 VAL CB C 13 31.261 0.3 . 1 . . . . 203 VAL CB . 16722 1 952 . 1 1 84 84 VAL CG1 C 13 22.494 0.3 . 1 . . . . 203 VAL CG1 . 16722 1 953 . 1 1 84 84 VAL CG2 C 13 20.871 0.3 . 1 . . . . 203 VAL CG2 . 16722 1 954 . 1 1 84 84 VAL N N 15 119.672 0.3 . 1 . . . . 203 VAL N . 16722 1 955 . 1 1 85 85 LYS H H 1 7.654 0.020 . 1 . . . . 204 LYS H . 16722 1 956 . 1 1 85 85 LYS HA H 1 3.979 0.020 . 1 . . . . 204 LYS HA . 16722 1 957 . 1 1 85 85 LYS HB2 H 1 1.840 0.020 . 2 . . . . 204 LYS HB2 . 16722 1 958 . 1 1 85 85 LYS HB3 H 1 1.902 0.020 . 2 . . . . 204 LYS HB3 . 16722 1 959 . 1 1 85 85 LYS HD2 H 1 1.591 0.020 . 1 . . . . 204 LYS HD2 . 16722 1 960 . 1 1 85 85 LYS HD3 H 1 1.591 0.020 . 1 . . . . 204 LYS HD3 . 16722 1 961 . 1 1 85 85 LYS HE2 H 1 2.863 0.020 . 1 . . . . 204 LYS HE2 . 16722 1 962 . 1 1 85 85 LYS HE3 H 1 2.863 0.020 . 1 . . . . 204 LYS HE3 . 16722 1 963 . 1 1 85 85 LYS HG2 H 1 1.542 0.020 . 2 . . . . 204 LYS HG2 . 16722 1 964 . 1 1 85 85 LYS HG3 H 1 1.353 0.020 . 2 . . . . 204 LYS HG3 . 16722 1 965 . 1 1 85 85 LYS CA C 13 58.922 0.3 . 1 . . . . 204 LYS CA . 16722 1 966 . 1 1 85 85 LYS CB C 13 31.787 0.3 . 1 . . . . 204 LYS CB . 16722 1 967 . 1 1 85 85 LYS CD C 13 28.881 0.3 . 1 . . . . 204 LYS CD . 16722 1 968 . 1 1 85 85 LYS CE C 13 41.526 0.3 . 1 . . . . 204 LYS CE . 16722 1 969 . 1 1 85 85 LYS CG C 13 24.876 0.3 . 1 . . . . 204 LYS CG . 16722 1 970 . 1 1 85 85 LYS N N 15 119.068 0.3 . 1 . . . . 204 LYS N . 16722 1 971 . 1 1 86 86 MET H H 1 8.141 0.020 . 1 . . . . 205 MET H . 16722 1 972 . 1 1 86 86 MET HA H 1 4.055 0.020 . 1 . . . . 205 MET HA . 16722 1 973 . 1 1 86 86 MET HB2 H 1 2.225 0.020 . 2 . . . . 205 MET HB2 . 16722 1 974 . 1 1 86 86 MET HB3 H 1 1.822 0.020 . 2 . . . . 205 MET HB3 . 16722 1 975 . 1 1 86 86 MET HE1 H 1 1.414 0.020 . 1 . . . . 205 MET HE . 16722 1 976 . 1 1 86 86 MET HE2 H 1 1.414 0.020 . 1 . . . . 205 MET HE . 16722 1 977 . 1 1 86 86 MET HE3 H 1 1.414 0.020 . 1 . . . . 205 MET HE . 16722 1 978 . 1 1 86 86 MET HG2 H 1 2.909 0.020 . 2 . . . . 205 MET HG2 . 16722 1 979 . 1 1 86 86 MET HG3 H 1 2.251 0.020 . 2 . . . . 205 MET HG3 . 16722 1 980 . 1 1 86 86 MET CA C 13 59.273 0.3 . 1 . . . . 205 MET CA . 16722 1 981 . 1 1 86 86 MET CB C 13 32.545 0.3 . 1 . . . . 205 MET CB . 16722 1 982 . 1 1 86 86 MET CE C 13 18.005 0.3 . 1 . . . . 205 MET CE . 16722 1 983 . 1 1 86 86 MET CG C 13 33.646 0.3 . 1 . . . . 205 MET CG . 16722 1 984 . 1 1 86 86 MET N N 15 118.581 0.3 . 1 . . . . 205 MET N . 16722 1 985 . 1 1 87 87 MET H H 1 8.637 0.020 . 1 . . . . 206 MET H . 16722 1 986 . 1 1 87 87 MET HA H 1 3.466 0.020 . 1 . . . . 206 MET HA . 16722 1 987 . 1 1 87 87 MET HB2 H 1 1.827 0.020 . 2 . . . . 206 MET HB2 . 16722 1 988 . 1 1 87 87 MET HB3 H 1 1.718 0.020 . 2 . . . . 206 MET HB3 . 16722 1 989 . 1 1 87 87 MET HE1 H 1 1.459 0.020 . 1 . . . . 206 MET HE . 16722 1 990 . 1 1 87 87 MET HE2 H 1 1.459 0.020 . 1 . . . . 206 MET HE . 16722 1 991 . 1 1 87 87 MET HE3 H 1 1.459 0.020 . 1 . . . . 206 MET HE . 16722 1 992 . 1 1 87 87 MET HG2 H 1 1.944 0.020 . 2 . . . . 206 MET HG2 . 16722 1 993 . 1 1 87 87 MET HG3 H 1 1.783 0.020 . 2 . . . . 206 MET HG3 . 16722 1 994 . 1 1 87 87 MET CA C 13 59.104 0.3 . 1 . . . . 206 MET CA . 16722 1 995 . 1 1 87 87 MET CB C 13 32.916 0.3 . 1 . . . . 206 MET CB . 16722 1 996 . 1 1 87 87 MET CE C 13 16.175 0.3 . 1 . . . . 206 MET CE . 16722 1 997 . 1 1 87 87 MET CG C 13 32.183 0.3 . 1 . . . . 206 MET CG . 16722 1 998 . 1 1 87 87 MET N N 15 118.200 0.3 . 1 . . . . 206 MET N . 16722 1 999 . 1 1 88 88 GLU H H 1 8.277 0.020 . 1 . . . . 207 GLU H . 16722 1 1000 . 1 1 88 88 GLU HA H 1 3.600 0.020 . 1 . . . . 207 GLU HA . 16722 1 1001 . 1 1 88 88 GLU HB2 H 1 2.132 0.020 . 2 . . . . 207 GLU HB2 . 16722 1 1002 . 1 1 88 88 GLU HB3 H 1 2.005 0.020 . 2 . . . . 207 GLU HB3 . 16722 1 1003 . 1 1 88 88 GLU HG2 H 1 2.485 0.020 . 2 . . . . 207 GLU HG2 . 16722 1 1004 . 1 1 88 88 GLU HG3 H 1 2.169 0.020 . 2 . . . . 207 GLU HG3 . 16722 1 1005 . 1 1 88 88 GLU CA C 13 60.036 0.3 . 1 . . . . 207 GLU CA . 16722 1 1006 . 1 1 88 88 GLU CB C 13 27.658 0.3 . 1 . . . . 207 GLU CB . 16722 1 1007 . 1 1 88 88 GLU CG C 13 34.448 0.3 . 1 . . . . 207 GLU CG . 16722 1 1008 . 1 1 88 88 GLU N N 15 118.001 0.3 . 1 . . . . 207 GLU N . 16722 1 1009 . 1 1 89 89 ARG H H 1 7.245 0.020 . 1 . . . . 208 ARG H . 16722 1 1010 . 1 1 89 89 ARG HA H 1 4.064 0.020 . 1 . . . . 208 ARG HA . 16722 1 1011 . 1 1 89 89 ARG HB2 H 1 1.819 0.020 . 2 . . . . 208 ARG HB2 . 16722 1 1012 . 1 1 89 89 ARG HB3 H 1 1.988 0.020 . 2 . . . . 208 ARG HB3 . 16722 1 1013 . 1 1 89 89 ARG HD2 H 1 3.128 0.020 . 2 . . . . 208 ARG HD2 . 16722 1 1014 . 1 1 89 89 ARG HD3 H 1 3.045 0.020 . 2 . . . . 208 ARG HD3 . 16722 1 1015 . 1 1 89 89 ARG HE H 1 7.202 0.020 . 1 . . . . 208 ARG HE . 16722 1 1016 . 1 1 89 89 ARG HG2 H 1 1.696 0.020 . 2 . . . . 208 ARG HG2 . 16722 1 1017 . 1 1 89 89 ARG HG3 H 1 1.650 0.020 . 2 . . . . 208 ARG HG3 . 16722 1 1018 . 1 1 89 89 ARG CA C 13 57.914 0.3 . 1 . . . . 208 ARG CA . 16722 1 1019 . 1 1 89 89 ARG CB C 13 29.486 0.3 . 1 . . . . 208 ARG CB . 16722 1 1020 . 1 1 89 89 ARG CD C 13 41.991 0.3 . 1 . . . . 208 ARG CD . 16722 1 1021 . 1 1 89 89 ARG CG C 13 26.563 0.3 . 1 . . . . 208 ARG CG . 16722 1 1022 . 1 1 89 89 ARG N N 15 116.975 0.3 . 1 . . . . 208 ARG N . 16722 1 1023 . 1 1 89 89 ARG NE N 15 86.127 0.3 . 1 . . . . 208 ARG NE . 16722 1 1024 . 1 1 90 90 VAL H H 1 8.109 0.020 . 1 . . . . 209 VAL H . 16722 1 1025 . 1 1 90 90 VAL HA H 1 3.610 0.020 . 1 . . . . 209 VAL HA . 16722 1 1026 . 1 1 90 90 VAL HB H 1 2.208 0.020 . 1 . . . . 209 VAL HB . 16722 1 1027 . 1 1 90 90 VAL HG11 H 1 1.229 0.020 . 2 . . . . 209 VAL HG1 . 16722 1 1028 . 1 1 90 90 VAL HG12 H 1 1.229 0.020 . 2 . . . . 209 VAL HG1 . 16722 1 1029 . 1 1 90 90 VAL HG13 H 1 1.229 0.020 . 2 . . . . 209 VAL HG1 . 16722 1 1030 . 1 1 90 90 VAL HG21 H 1 1.140 0.020 . 2 . . . . 209 VAL HG2 . 16722 1 1031 . 1 1 90 90 VAL HG22 H 1 1.140 0.020 . 2 . . . . 209 VAL HG2 . 16722 1 1032 . 1 1 90 90 VAL HG23 H 1 1.140 0.020 . 2 . . . . 209 VAL HG2 . 16722 1 1033 . 1 1 90 90 VAL CA C 13 65.510 0.3 . 1 . . . . 209 VAL CA . 16722 1 1034 . 1 1 90 90 VAL CB C 13 32.059 0.3 . 1 . . . . 209 VAL CB . 16722 1 1035 . 1 1 90 90 VAL CG1 C 13 23.846 0.3 . 1 . . . . 209 VAL CG1 . 16722 1 1036 . 1 1 90 90 VAL CG2 C 13 20.780 0.3 . 1 . . . . 209 VAL CG2 . 16722 1 1037 . 1 1 90 90 VAL N N 15 119.194 0.3 . 1 . . . . 209 VAL N . 16722 1 1038 . 1 1 91 91 VAL H H 1 8.824 0.020 . 1 . . . . 210 VAL H . 16722 1 1039 . 1 1 91 91 VAL HA H 1 3.529 0.020 . 1 . . . . 210 VAL HA . 16722 1 1040 . 1 1 91 91 VAL HB H 1 2.154 0.020 . 1 . . . . 210 VAL HB . 16722 1 1041 . 1 1 91 91 VAL HG11 H 1 1.127 0.020 . 2 . . . . 210 VAL HG1 . 16722 1 1042 . 1 1 91 91 VAL HG12 H 1 1.127 0.020 . 2 . . . . 210 VAL HG1 . 16722 1 1043 . 1 1 91 91 VAL HG13 H 1 1.127 0.020 . 2 . . . . 210 VAL HG1 . 16722 1 1044 . 1 1 91 91 VAL HG21 H 1 0.887 0.020 . 2 . . . . 210 VAL HG2 . 16722 1 1045 . 1 1 91 91 VAL HG22 H 1 0.887 0.020 . 2 . . . . 210 VAL HG2 . 16722 1 1046 . 1 1 91 91 VAL HG23 H 1 0.887 0.020 . 2 . . . . 210 VAL HG2 . 16722 1 1047 . 1 1 91 91 VAL CA C 13 65.946 0.3 . 1 . . . . 210 VAL CA . 16722 1 1048 . 1 1 91 91 VAL CB C 13 30.999 0.3 . 1 . . . . 210 VAL CB . 16722 1 1049 . 1 1 91 91 VAL CG1 C 13 24.234 0.3 . 1 . . . . 210 VAL CG1 . 16722 1 1050 . 1 1 91 91 VAL CG2 C 13 23.791 0.3 . 1 . . . . 210 VAL CG2 . 16722 1 1051 . 1 1 91 91 VAL N N 15 120.179 0.3 . 1 . . . . 210 VAL N . 16722 1 1052 . 1 1 92 92 GLU H H 1 8.135 0.020 . 1 . . . . 211 GLU H . 16722 1 1053 . 1 1 92 92 GLU HA H 1 3.505 0.020 . 1 . . . . 211 GLU HA . 16722 1 1054 . 1 1 92 92 GLU HB2 H 1 2.132 0.020 . 2 . . . . 211 GLU HB2 . 16722 1 1055 . 1 1 92 92 GLU HB3 H 1 2.043 0.020 . 2 . . . . 211 GLU HB3 . 16722 1 1056 . 1 1 92 92 GLU HG2 H 1 2.183 0.020 . 2 . . . . 211 GLU HG2 . 16722 1 1057 . 1 1 92 92 GLU HG3 H 1 2.105 0.020 . 2 . . . . 211 GLU HG3 . 16722 1 1058 . 1 1 92 92 GLU CA C 13 60.487 0.3 . 1 . . . . 211 GLU CA . 16722 1 1059 . 1 1 92 92 GLU CB C 13 28.120 0.3 . 1 . . . . 211 GLU CB . 16722 1 1060 . 1 1 92 92 GLU CG C 13 34.731 0.3 . 1 . . . . 211 GLU CG . 16722 1 1061 . 1 1 92 92 GLU N N 15 120.179 0.3 . 1 . . . . 211 GLU N . 16722 1 1062 . 1 1 93 93 GLN H H 1 7.185 0.020 . 1 . . . . 212 GLN H . 16722 1 1063 . 1 1 93 93 GLN HA H 1 3.895 0.020 . 1 . . . . 212 GLN HA . 16722 1 1064 . 1 1 93 93 GLN HB2 H 1 2.062 0.020 . 2 . . . . 212 GLN HB2 . 16722 1 1065 . 1 1 93 93 GLN HB3 H 1 2.034 0.020 . 2 . . . . 212 GLN HB3 . 16722 1 1066 . 1 1 93 93 GLN HE21 H 1 7.303 0.020 . 1 . . . . 212 GLN HE21 . 16722 1 1067 . 1 1 93 93 GLN HE22 H 1 6.700 0.020 . 1 . . . . 212 GLN HE22 . 16722 1 1068 . 1 1 93 93 GLN HG2 H 1 2.366 0.020 . 2 . . . . 212 GLN HG2 . 16722 1 1069 . 1 1 93 93 GLN HG3 H 1 2.296 0.020 . 2 . . . . 212 GLN HG3 . 16722 1 1070 . 1 1 93 93 GLN CA C 13 58.639 0.3 . 1 . . . . 212 GLN CA . 16722 1 1071 . 1 1 93 93 GLN CB C 13 27.624 0.3 . 1 . . . . 212 GLN CB . 16722 1 1072 . 1 1 93 93 GLN CG C 13 33.607 0.3 . 1 . . . . 212 GLN CG . 16722 1 1073 . 1 1 93 93 GLN N N 15 115.568 0.3 . 1 . . . . 212 GLN N . 16722 1 1074 . 1 1 93 93 GLN NE2 N 15 111.481 0.3 . 1 . . . . 212 GLN NE2 . 16722 1 1075 . 1 1 94 94 MET H H 1 8.203 0.020 . 1 . . . . 213 MET H . 16722 1 1076 . 1 1 94 94 MET HA H 1 4.051 0.020 . 1 . . . . 213 MET HA . 16722 1 1077 . 1 1 94 94 MET HB2 H 1 2.103 0.020 . 2 . . . . 213 MET HB2 . 16722 1 1078 . 1 1 94 94 MET HB3 H 1 1.963 0.020 . 2 . . . . 213 MET HB3 . 16722 1 1079 . 1 1 94 94 MET HE1 H 1 1.826 0.020 . 1 . . . . 213 MET HE . 16722 1 1080 . 1 1 94 94 MET HE2 H 1 1.826 0.020 . 1 . . . . 213 MET HE . 16722 1 1081 . 1 1 94 94 MET HE3 H 1 1.826 0.020 . 1 . . . . 213 MET HE . 16722 1 1082 . 1 1 94 94 MET HG2 H 1 2.763 0.020 . 2 . . . . 213 MET HG2 . 16722 1 1083 . 1 1 94 94 MET HG3 H 1 2.399 0.020 . 2 . . . . 213 MET HG3 . 16722 1 1084 . 1 1 94 94 MET CA C 13 59.574 0.3 . 1 . . . . 213 MET CA . 16722 1 1085 . 1 1 94 94 MET CB C 13 34.055 0.3 . 1 . . . . 213 MET CB . 16722 1 1086 . 1 1 94 94 MET CE C 13 16.837 0.3 . 1 . . . . 213 MET CE . 16722 1 1087 . 1 1 94 94 MET CG C 13 32.325 0.3 . 1 . . . . 213 MET CG . 16722 1 1088 . 1 1 94 94 MET N N 15 119.245 0.3 . 1 . . . . 213 MET N . 16722 1 1089 . 1 1 95 95 CYS H H 1 9.074 0.020 . 1 . . . . 214 CYS H . 16722 1 1090 . 1 1 95 95 CYS HA H 1 4.317 0.020 . 1 . . . . 214 CYS HA . 16722 1 1091 . 1 1 95 95 CYS HB2 H 1 3.439 0.020 . 2 . . . . 214 CYS HB2 . 16722 1 1092 . 1 1 95 95 CYS HB3 H 1 2.765 0.020 . 2 . . . . 214 CYS HB3 . 16722 1 1093 . 1 1 95 95 CYS CA C 13 59.562 0.3 . 1 . . . . 214 CYS CA . 16722 1 1094 . 1 1 95 95 CYS CB C 13 41.285 0.3 . 1 . . . . 214 CYS CB . 16722 1 1095 . 1 1 95 95 CYS N N 15 119.003 0.3 . 1 . . . . 214 CYS N . 16722 1 1096 . 1 1 96 96 VAL H H 1 8.212 0.020 . 1 . . . . 215 VAL H . 16722 1 1097 . 1 1 96 96 VAL HA H 1 3.366 0.020 . 1 . . . . 215 VAL HA . 16722 1 1098 . 1 1 96 96 VAL HB H 1 2.210 0.020 . 1 . . . . 215 VAL HB . 16722 1 1099 . 1 1 96 96 VAL HG11 H 1 1.002 0.020 . 2 . . . . 215 VAL HG1 . 16722 1 1100 . 1 1 96 96 VAL HG12 H 1 1.002 0.020 . 2 . . . . 215 VAL HG1 . 16722 1 1101 . 1 1 96 96 VAL HG13 H 1 1.002 0.020 . 2 . . . . 215 VAL HG1 . 16722 1 1102 . 1 1 96 96 VAL HG21 H 1 0.812 0.020 . 2 . . . . 215 VAL HG2 . 16722 1 1103 . 1 1 96 96 VAL HG22 H 1 0.812 0.020 . 2 . . . . 215 VAL HG2 . 16722 1 1104 . 1 1 96 96 VAL HG23 H 1 0.812 0.020 . 2 . . . . 215 VAL HG2 . 16722 1 1105 . 1 1 96 96 VAL CA C 13 67.064 0.3 . 1 . . . . 215 VAL CA . 16722 1 1106 . 1 1 96 96 VAL CB C 13 31.208 0.3 . 1 . . . . 215 VAL CB . 16722 1 1107 . 1 1 96 96 VAL CG1 C 13 23.481 0.3 . 1 . . . . 215 VAL CG1 . 16722 1 1108 . 1 1 96 96 VAL CG2 C 13 20.961 0.3 . 1 . . . . 215 VAL CG2 . 16722 1 1109 . 1 1 96 96 VAL N N 15 123.127 0.3 . 1 . . . . 215 VAL N . 16722 1 1110 . 1 1 97 97 THR H H 1 8.037 0.020 . 1 . . . . 216 THR H . 16722 1 1111 . 1 1 97 97 THR HA H 1 3.801 0.020 . 1 . . . . 216 THR HA . 16722 1 1112 . 1 1 97 97 THR HB H 1 4.212 0.020 . 1 . . . . 216 THR HB . 16722 1 1113 . 1 1 97 97 THR HG21 H 1 1.160 0.020 . 1 . . . . 216 THR HG2 . 16722 1 1114 . 1 1 97 97 THR HG22 H 1 1.160 0.020 . 1 . . . . 216 THR HG2 . 16722 1 1115 . 1 1 97 97 THR HG23 H 1 1.160 0.020 . 1 . . . . 216 THR HG2 . 16722 1 1116 . 1 1 97 97 THR CA C 13 66.389 0.3 . 1 . . . . 216 THR CA . 16722 1 1117 . 1 1 97 97 THR CB C 13 67.692 0.3 . 1 . . . . 216 THR CB . 16722 1 1118 . 1 1 97 97 THR CG2 C 13 22.059 0.3 . 1 . . . . 216 THR CG2 . 16722 1 1119 . 1 1 97 97 THR N N 15 117.829 0.3 . 1 . . . . 216 THR N . 16722 1 1120 . 1 1 98 98 GLN H H 1 8.731 0.020 . 1 . . . . 217 GLN H . 16722 1 1121 . 1 1 98 98 GLN HA H 1 3.554 0.020 . 1 . . . . 217 GLN HA . 16722 1 1122 . 1 1 98 98 GLN HB2 H 1 2.228 0.020 . 2 . . . . 217 GLN HB2 . 16722 1 1123 . 1 1 98 98 GLN HB3 H 1 1.965 0.020 . 2 . . . . 217 GLN HB3 . 16722 1 1124 . 1 1 98 98 GLN HE21 H 1 7.117 0.020 . 1 . . . . 217 GLN HE21 . 16722 1 1125 . 1 1 98 98 GLN HE22 H 1 6.557 0.020 . 1 . . . . 217 GLN HE22 . 16722 1 1126 . 1 1 98 98 GLN HG2 H 1 1.608 0.020 . 2 . . . . 217 GLN HG2 . 16722 1 1127 . 1 1 98 98 GLN HG3 H 1 1.532 0.020 . 2 . . . . 217 GLN HG3 . 16722 1 1128 . 1 1 98 98 GLN CA C 13 58.186 0.3 . 1 . . . . 217 GLN CA . 16722 1 1129 . 1 1 98 98 GLN CB C 13 27.967 0.3 . 1 . . . . 217 GLN CB . 16722 1 1130 . 1 1 98 98 GLN CG C 13 32.150 0.3 . 1 . . . . 217 GLN CG . 16722 1 1131 . 1 1 98 98 GLN N N 15 122.249 0.3 . 1 . . . . 217 GLN N . 16722 1 1132 . 1 1 98 98 GLN NE2 N 15 113.879 0.3 . 1 . . . . 217 GLN NE2 . 16722 1 1133 . 1 1 99 99 TYR H H 1 8.360 0.020 . 1 . . . . 218 TYR H . 16722 1 1134 . 1 1 99 99 TYR HA H 1 2.793 0.020 . 1 . . . . 218 TYR HA . 16722 1 1135 . 1 1 99 99 TYR HB2 H 1 2.929 0.020 . 2 . . . . 218 TYR HB2 . 16722 1 1136 . 1 1 99 99 TYR HB3 H 1 2.639 0.020 . 2 . . . . 218 TYR HB3 . 16722 1 1137 . 1 1 99 99 TYR HD1 H 1 6.103 0.020 . 1 . . . . 218 TYR HD1 . 16722 1 1138 . 1 1 99 99 TYR HD2 H 1 6.103 0.020 . 1 . . . . 218 TYR HD2 . 16722 1 1139 . 1 1 99 99 TYR HE1 H 1 6.476 0.020 . 1 . . . . 218 TYR HE1 . 16722 1 1140 . 1 1 99 99 TYR HE2 H 1 6.476 0.020 . 1 . . . . 218 TYR HE2 . 16722 1 1141 . 1 1 99 99 TYR CA C 13 61.529 0.3 . 1 . . . . 218 TYR CA . 16722 1 1142 . 1 1 99 99 TYR CB C 13 36.751 0.3 . 1 . . . . 218 TYR CB . 16722 1 1143 . 1 1 99 99 TYR CD1 C 13 132.639 0.3 . 1 . . . . 218 TYR CD1 . 16722 1 1144 . 1 1 99 99 TYR CE1 C 13 117.673 0.3 . 1 . . . . 218 TYR CE1 . 16722 1 1145 . 1 1 99 99 TYR N N 15 119.717 0.3 . 1 . . . . 218 TYR N . 16722 1 1146 . 1 1 100 100 GLN H H 1 8.112 0.020 . 1 . . . . 219 GLN H . 16722 1 1147 . 1 1 100 100 GLN HA H 1 3.618 0.020 . 1 . . . . 219 GLN HA . 16722 1 1148 . 1 1 100 100 GLN HB2 H 1 2.216 0.020 . 2 . . . . 219 GLN HB2 . 16722 1 1149 . 1 1 100 100 GLN HB3 H 1 1.974 0.020 . 2 . . . . 219 GLN HB3 . 16722 1 1150 . 1 1 100 100 GLN HE21 H 1 7.341 0.020 . 1 . . . . 219 GLN HE21 . 16722 1 1151 . 1 1 100 100 GLN HE22 H 1 6.717 0.020 . 1 . . . . 219 GLN HE22 . 16722 1 1152 . 1 1 100 100 GLN HG2 H 1 2.612 0.020 . 2 . . . . 219 GLN HG2 . 16722 1 1153 . 1 1 100 100 GLN HG3 H 1 2.370 0.020 . 2 . . . . 219 GLN HG3 . 16722 1 1154 . 1 1 100 100 GLN CA C 13 58.578 0.3 . 1 . . . . 219 GLN CA . 16722 1 1155 . 1 1 100 100 GLN CB C 13 27.291 0.3 . 1 . . . . 219 GLN CB . 16722 1 1156 . 1 1 100 100 GLN CG C 13 33.420 0.3 . 1 . . . . 219 GLN CG . 16722 1 1157 . 1 1 100 100 GLN N N 15 119.349 0.3 . 1 . . . . 219 GLN N . 16722 1 1158 . 1 1 100 100 GLN NE2 N 15 110.639 0.3 . 1 . . . . 219 GLN NE2 . 16722 1 1159 . 1 1 101 101 LYS H H 1 7.928 0.020 . 1 . . . . 220 LYS H . 16722 1 1160 . 1 1 101 101 LYS HA H 1 3.891 0.020 . 1 . . . . 220 LYS HA . 16722 1 1161 . 1 1 101 101 LYS HB2 H 1 1.725 0.020 . 1 . . . . 220 LYS HB2 . 16722 1 1162 . 1 1 101 101 LYS HB3 H 1 1.725 0.020 . 1 . . . . 220 LYS HB3 . 16722 1 1163 . 1 1 101 101 LYS HD2 H 1 1.498 0.020 . 1 . . . . 220 LYS HD2 . 16722 1 1164 . 1 1 101 101 LYS HD3 H 1 1.498 0.020 . 1 . . . . 220 LYS HD3 . 16722 1 1165 . 1 1 101 101 LYS HE2 H 1 2.810 0.020 . 1 . . . . 220 LYS HE2 . 16722 1 1166 . 1 1 101 101 LYS HE3 H 1 2.810 0.020 . 1 . . . . 220 LYS HE3 . 16722 1 1167 . 1 1 101 101 LYS HG2 H 1 1.445 0.020 . 2 . . . . 220 LYS HG2 . 16722 1 1168 . 1 1 101 101 LYS HG3 H 1 1.286 0.020 . 2 . . . . 220 LYS HG3 . 16722 1 1169 . 1 1 101 101 LYS CA C 13 58.879 0.3 . 1 . . . . 220 LYS CA . 16722 1 1170 . 1 1 101 101 LYS CB C 13 32.141 0.3 . 1 . . . . 220 LYS CB . 16722 1 1171 . 1 1 101 101 LYS CD C 13 29.097 0.3 . 1 . . . . 220 LYS CD . 16722 1 1172 . 1 1 101 101 LYS CE C 13 41.478 0.3 . 1 . . . . 220 LYS CE . 16722 1 1173 . 1 1 101 101 LYS CG C 13 24.666 0.3 . 1 . . . . 220 LYS CG . 16722 1 1174 . 1 1 101 101 LYS N N 15 118.897 0.3 . 1 . . . . 220 LYS N . 16722 1 1175 . 1 1 102 102 GLU H H 1 8.181 0.020 . 1 . . . . 221 GLU H . 16722 1 1176 . 1 1 102 102 GLU HA H 1 3.988 0.020 . 1 . . . . 221 GLU HA . 16722 1 1177 . 1 1 102 102 GLU HB2 H 1 2.085 0.020 . 2 . . . . 221 GLU HB2 . 16722 1 1178 . 1 1 102 102 GLU HB3 H 1 1.525 0.020 . 2 . . . . 221 GLU HB3 . 16722 1 1179 . 1 1 102 102 GLU HG2 H 1 2.068 0.020 . 2 . . . . 221 GLU HG2 . 16722 1 1180 . 1 1 102 102 GLU HG3 H 1 2.340 0.020 . 2 . . . . 221 GLU HG3 . 16722 1 1181 . 1 1 102 102 GLU CA C 13 57.136 0.3 . 1 . . . . 221 GLU CA . 16722 1 1182 . 1 1 102 102 GLU CB C 13 29.242 0.3 . 1 . . . . 221 GLU CB . 16722 1 1183 . 1 1 102 102 GLU CG C 13 35.572 0.3 . 1 . . . . 221 GLU CG . 16722 1 1184 . 1 1 102 102 GLU N N 15 117.249 0.3 . 1 . . . . 221 GLU N . 16722 1 1185 . 1 1 103 103 SER H H 1 8.169 0.020 . 1 . . . . 222 SER H . 16722 1 1186 . 1 1 103 103 SER HA H 1 3.898 0.020 . 1 . . . . 222 SER HA . 16722 1 1187 . 1 1 103 103 SER HB2 H 1 3.479 0.020 . 2 . . . . 222 SER HB2 . 16722 1 1188 . 1 1 103 103 SER HB3 H 1 3.251 0.020 . 2 . . . . 222 SER HB3 . 16722 1 1189 . 1 1 103 103 SER CA C 13 60.449 0.3 . 1 . . . . 222 SER CA . 16722 1 1190 . 1 1 103 103 SER CB C 13 62.075 0.3 . 1 . . . . 222 SER CB . 16722 1 1191 . 1 1 103 103 SER N N 15 114.786 0.3 . 1 . . . . 222 SER N . 16722 1 1192 . 1 1 104 104 GLN H H 1 7.532 0.020 . 1 . . . . 223 GLN H . 16722 1 1193 . 1 1 104 104 GLN HA H 1 4.024 0.020 . 1 . . . . 223 GLN HA . 16722 1 1194 . 1 1 104 104 GLN HB2 H 1 2.003 0.020 . 1 . . . . 223 GLN HB2 . 16722 1 1195 . 1 1 104 104 GLN HB3 H 1 2.003 0.020 . 1 . . . . 223 GLN HB3 . 16722 1 1196 . 1 1 104 104 GLN HE21 H 1 7.457 0.020 . 1 . . . . 223 GLN HE21 . 16722 1 1197 . 1 1 104 104 GLN HE22 H 1 6.728 0.020 . 1 . . . . 223 GLN HE22 . 16722 1 1198 . 1 1 104 104 GLN HG2 H 1 2.367 0.020 . 2 . . . . 223 GLN HG2 . 16722 1 1199 . 1 1 104 104 GLN HG3 H 1 2.290 0.020 . 2 . . . . 223 GLN HG3 . 16722 1 1200 . 1 1 104 104 GLN CA C 13 57.260 0.3 . 1 . . . . 223 GLN CA . 16722 1 1201 . 1 1 104 104 GLN CB C 13 28.127 0.3 . 1 . . . . 223 GLN CB . 16722 1 1202 . 1 1 104 104 GLN CG C 13 33.511 0.3 . 1 . . . . 223 GLN CG . 16722 1 1203 . 1 1 104 104 GLN N N 15 120.551 0.3 . 1 . . . . 223 GLN N . 16722 1 1204 . 1 1 104 104 GLN NE2 N 15 112.098 0.3 . 1 . . . . 223 GLN NE2 . 16722 1 1205 . 1 1 105 105 ALA H H 1 7.531 0.020 . 1 . . . . 224 ALA H . 16722 1 1206 . 1 1 105 105 ALA HA H 1 4.102 0.020 . 1 . . . . 224 ALA HA . 16722 1 1207 . 1 1 105 105 ALA HB1 H 1 1.290 0.020 . 1 . . . . 224 ALA HB . 16722 1 1208 . 1 1 105 105 ALA HB2 H 1 1.290 0.020 . 1 . . . . 224 ALA HB . 16722 1 1209 . 1 1 105 105 ALA HB3 H 1 1.290 0.020 . 1 . . . . 224 ALA HB . 16722 1 1210 . 1 1 105 105 ALA CA C 13 53.276 0.3 . 1 . . . . 224 ALA CA . 16722 1 1211 . 1 1 105 105 ALA CB C 13 18.453 0.3 . 1 . . . . 224 ALA CB . 16722 1 1212 . 1 1 105 105 ALA N N 15 120.935 0.3 . 1 . . . . 224 ALA N . 16722 1 1213 . 1 1 106 106 TYR H H 1 7.826 0.020 . 1 . . . . 225 TYR H . 16722 1 1214 . 1 1 106 106 TYR HA H 1 4.239 0.020 . 1 . . . . 225 TYR HA . 16722 1 1215 . 1 1 106 106 TYR HB2 H 1 2.862 0.020 . 2 . . . . 225 TYR HB2 . 16722 1 1216 . 1 1 106 106 TYR HB3 H 1 2.739 0.020 . 2 . . . . 225 TYR HB3 . 16722 1 1217 . 1 1 106 106 TYR HD1 H 1 6.710 0.020 . 1 . . . . 225 TYR HD1 . 16722 1 1218 . 1 1 106 106 TYR HD2 H 1 6.710 0.020 . 1 . . . . 225 TYR HD2 . 16722 1 1219 . 1 1 106 106 TYR HE1 H 1 6.640 0.020 . 1 . . . . 225 TYR HE1 . 16722 1 1220 . 1 1 106 106 TYR HE2 H 1 6.640 0.020 . 1 . . . . 225 TYR HE2 . 16722 1 1221 . 1 1 106 106 TYR CA C 13 58.876 0.3 . 1 . . . . 225 TYR CA . 16722 1 1222 . 1 1 106 106 TYR CB C 13 38.517 0.3 . 1 . . . . 225 TYR CB . 16722 1 1223 . 1 1 106 106 TYR CD1 C 13 133.020 0.3 . 1 . . . . 225 TYR CD1 . 16722 1 1224 . 1 1 106 106 TYR CE1 C 13 117.986 0.3 . 1 . . . . 225 TYR CE1 . 16722 1 1225 . 1 1 106 106 TYR N N 15 118.375 0.3 . 1 . . . . 225 TYR N . 16722 1 1226 . 1 1 107 107 TYR H H 1 7.950 0.020 . 1 . . . . 226 TYR H . 16722 1 1227 . 1 1 107 107 TYR HA H 1 4.250 0.020 . 1 . . . . 226 TYR HA . 16722 1 1228 . 1 1 107 107 TYR HB2 H 1 3.003 0.020 . 2 . . . . 226 TYR HB2 . 16722 1 1229 . 1 1 107 107 TYR HB3 H 1 2.863 0.020 . 2 . . . . 226 TYR HB3 . 16722 1 1230 . 1 1 107 107 TYR HD1 H 1 7.086 0.020 . 1 . . . . 226 TYR HD1 . 16722 1 1231 . 1 1 107 107 TYR HD2 H 1 7.086 0.020 . 1 . . . . 226 TYR HD2 . 16722 1 1232 . 1 1 107 107 TYR HE1 H 1 6.756 0.020 . 1 . . . . 226 TYR HE1 . 16722 1 1233 . 1 1 107 107 TYR HE2 H 1 6.756 0.020 . 1 . . . . 226 TYR HE2 . 16722 1 1234 . 1 1 107 107 TYR CA C 13 58.701 0.3 . 1 . . . . 226 TYR CA . 16722 1 1235 . 1 1 107 107 TYR CB C 13 38.043 0.3 . 1 . . . . 226 TYR CB . 16722 1 1236 . 1 1 107 107 TYR CD1 C 13 133.277 0.3 . 1 . . . . 226 TYR CD1 . 16722 1 1237 . 1 1 107 107 TYR CE1 C 13 118.091 0.3 . 1 . . . . 226 TYR CE1 . 16722 1 1238 . 1 1 107 107 TYR N N 15 119.669 0.3 . 1 . . . . 226 TYR N . 16722 1 1239 . 1 1 108 108 ASP H H 1 8.067 0.020 . 1 . . . . 227 ASP H . 16722 1 1240 . 1 1 108 108 ASP HA H 1 4.455 0.020 . 1 . . . . 227 ASP HA . 16722 1 1241 . 1 1 108 108 ASP HB2 H 1 2.684 0.020 . 1 . . . . 227 ASP HB2 . 16722 1 1242 . 1 1 108 108 ASP HB3 H 1 2.684 0.020 . 1 . . . . 227 ASP HB3 . 16722 1 1243 . 1 1 108 108 ASP CA C 13 53.963 0.3 . 1 . . . . 227 ASP CA . 16722 1 1244 . 1 1 108 108 ASP CB C 13 39.746 0.3 . 1 . . . . 227 ASP CB . 16722 1 1245 . 1 1 108 108 ASP N N 15 120.564 0.3 . 1 . . . . 227 ASP N . 16722 1 1246 . 1 1 109 109 GLY H H 1 7.779 0.020 . 1 . . . . 228 GLY H . 16722 1 1247 . 1 1 109 109 GLY HA2 H 1 3.811 0.020 . 1 . . . . 228 GLY HA2 . 16722 1 1248 . 1 1 109 109 GLY HA3 H 1 3.811 0.020 . 1 . . . . 228 GLY HA3 . 16722 1 1249 . 1 1 109 109 GLY CA C 13 45.184 0.3 . 1 . . . . 228 GLY CA . 16722 1 1250 . 1 1 109 109 GLY N N 15 107.962 0.3 . 1 . . . . 228 GLY N . 16722 1 1251 . 1 1 110 110 ARG H H 1 7.812 0.020 . 1 . . . . 229 ARG H . 16722 1 1252 . 1 1 110 110 ARG HA H 1 4.227 0.020 . 1 . . . . 229 ARG HA . 16722 1 1253 . 1 1 110 110 ARG HB2 H 1 1.646 0.020 . 2 . . . . 229 ARG HB2 . 16722 1 1254 . 1 1 110 110 ARG HB3 H 1 1.751 0.020 . 2 . . . . 229 ARG HB3 . 16722 1 1255 . 1 1 110 110 ARG HD2 H 1 2.997 0.020 . 1 . . . . 229 ARG HD2 . 16722 1 1256 . 1 1 110 110 ARG HD3 H 1 2.997 0.020 . 1 . . . . 229 ARG HD3 . 16722 1 1257 . 1 1 110 110 ARG HE H 1 7.148 0.020 . 1 . . . . 229 ARG HE . 16722 1 1258 . 1 1 110 110 ARG HG2 H 1 1.484 0.020 . 1 . . . . 229 ARG HG2 . 16722 1 1259 . 1 1 110 110 ARG HG3 H 1 1.484 0.020 . 1 . . . . 229 ARG HG3 . 16722 1 1260 . 1 1 110 110 ARG CA C 13 55.665 0.3 . 1 . . . . 229 ARG CA . 16722 1 1261 . 1 1 110 110 ARG CB C 13 30.280 0.3 . 1 . . . . 229 ARG CB . 16722 1 1262 . 1 1 110 110 ARG CG C 13 26.659 0.3 . 1 . . . . 229 ARG CG . 16722 1 1263 . 1 1 110 110 ARG N N 15 119.790 0.3 . 1 . . . . 229 ARG N . 16722 1 1264 . 1 1 110 110 ARG NE N 15 87.528 0.3 . 1 . . . . 229 ARG NE . 16722 1 1265 . 1 1 111 111 ARG H H 1 8.193 0.020 . 1 . . . . 230 ARG H . 16722 1 1266 . 1 1 111 111 ARG HA H 1 4.307 0.020 . 1 . . . . 230 ARG HA . 16722 1 1267 . 1 1 111 111 ARG HB2 H 1 1.676 0.020 . 2 . . . . 230 ARG HB2 . 16722 1 1268 . 1 1 111 111 ARG HB3 H 1 1.801 0.020 . 2 . . . . 230 ARG HB3 . 16722 1 1269 . 1 1 111 111 ARG HD2 H 1 3.075 0.020 . 2 . . . . 230 ARG HD2 . 16722 1 1270 . 1 1 111 111 ARG HD3 H 1 3.010 0.020 . 2 . . . . 230 ARG HD3 . 16722 1 1271 . 1 1 111 111 ARG HG2 H 1 1.554 0.020 . 2 . . . . 230 ARG HG2 . 16722 1 1272 . 1 1 111 111 ARG HG3 H 1 1.507 0.020 . 2 . . . . 230 ARG HG3 . 16722 1 1273 . 1 1 111 111 ARG CA C 13 55.528 0.3 . 1 . . . . 230 ARG CA . 16722 1 1274 . 1 1 111 111 ARG CB C 13 30.701 0.3 . 1 . . . . 230 ARG CB . 16722 1 1275 . 1 1 111 111 ARG CD C 13 42.860 0.3 . 1 . . . . 230 ARG CD . 16722 1 1276 . 1 1 111 111 ARG CG C 13 26.746 0.3 . 1 . . . . 230 ARG CG . 16722 1 1277 . 1 1 111 111 ARG N N 15 121.854 0.3 . 1 . . . . 230 ARG N . 16722 1 1278 . 1 1 112 112 SER H H 1 8.314 0.020 . 1 . . . . 231 SER H . 16722 1 1279 . 1 1 112 112 SER HA H 1 4.413 0.020 . 1 . . . . 231 SER HA . 16722 1 1280 . 1 1 112 112 SER HB2 H 1 3.824 0.020 . 2 . . . . 231 SER HB2 . 16722 1 1281 . 1 1 112 112 SER HB3 H 1 3.783 0.020 . 2 . . . . 231 SER HB3 . 16722 1 1282 . 1 1 112 112 SER CA C 13 57.873 0.3 . 1 . . . . 231 SER CA . 16722 1 1283 . 1 1 112 112 SER CB C 13 63.395 0.3 . 1 . . . . 231 SER CB . 16722 1 1284 . 1 1 112 112 SER N N 15 117.334 0.3 . 1 . . . . 231 SER N . 16722 1 1285 . 1 1 113 113 SER H H 1 7.925 0.020 . 1 . . . . 232 SER H . 16722 1 1286 . 1 1 113 113 SER HA H 1 4.205 0.020 . 1 . . . . 232 SER HA . 16722 1 1287 . 1 1 113 113 SER HB2 H 1 3.785 0.020 . 1 . . . . 232 SER HB2 . 16722 1 1288 . 1 1 113 113 SER HB3 H 1 3.785 0.020 . 1 . . . . 232 SER HB3 . 16722 1 1289 . 1 1 113 113 SER CA C 13 59.403 0.3 . 1 . . . . 232 SER CA . 16722 1 1290 . 1 1 113 113 SER CB C 13 64.097 0.3 . 1 . . . . 232 SER CB . 16722 1 1291 . 1 1 113 113 SER N N 15 122.411 0.3 . 1 . . . . 232 SER N . 16722 1 stop_ save_