data_15394 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15394 _Entry.Title ; NMR structure of rabbit prion protein mutation S173N ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-07-19 _Entry.Accession_date 2007-07-19 _Entry.Last_release_date 2010-11-15 _Entry.Original_release_date 2010-11-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.78 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jun Li . . . 15394 2 Donghai Lin . . . 15394 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' . 15394 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'prion protein' . 15394 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15394 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 317 15394 '15N chemical shifts' 125 15394 '1H chemical shifts' 715 15394 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-11-15 2007-07-19 original author . 15394 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JOH 'BMRB Entry Tracking System' 15394 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15394 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20639199 _Citation.Full_citation . _Citation.Title 'Unique structural characteristics of the rabbit prion protein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 285 _Citation.Journal_issue 41 _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 31682 _Citation.Page_last 31693 _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 Yi Wen . . . 15394 1 2 Jun Li . . . 15394 1 3 Wenming Yao . . . 15394 1 4 Minqian Xiong . . . 15394 1 5 Jing Hong . . . 15394 1 6 Yu Peng . . . 15394 1 7 Gengfu Xiao . . . 15394 1 8 Donghai Lin . . . 15394 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15394 _Assembly.ID 1 _Assembly.Name 'rpp mutation S173N' _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 'single chain polymers' 1 $entity A . yes native no no . . . 15394 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 'single chain polymers' 1 CYS 88 88 SG . 1 'single chain polymers' 1 CYS 123 123 SG 1 'single chain polymers' CYS 178 SG 1 'single chain polymers' CYS 213 SG 15394 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 15394 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'rpp mutation S173N' _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 ; QGGTHNQWGKPSKPKTSMKH VAPAAAAGAVVGGLGGYMLG SAMSRPLIHFGNDYEDRYYR ENMYRYPNQVYYRPVDQYSN QNNFVHDCVNITVKQHTVTT TTKGENFTETDIKIMERVVE QMCITQYQQESQAAYQRA ; _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 138 _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 12512.979 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 15399 . "rpp I214V" . . . . . 100.00 138 97.83 99.28 2.15e-96 . . . . 15394 1 2 no BMRB 16328 . prion_protein . . . . . 100.00 145 99.28 99.28 3.76e-97 . . . . 15394 1 3 no BMRB 16616 . prion . . . . . 100.00 145 97.83 99.28 3.45e-96 . . . . 15394 1 4 no PDB 1TQB . "Ovine Recombinant Prp(114-234), Vrq Variant In Complex With The Fab Of The Vrq14 Antibody" . . . . . 73.19 102 98.02 99.01 2.79e-67 . . . . 15394 1 5 no PDB 1TQC . "Ovine Recombinant Prp(114-234), Arr Variant In Complex With The Vrq14 Fab Fragment (Igg2a)" . . . . . 73.19 102 98.02 100.00 2.29e-67 . . . . 15394 1 6 no PDB 2FJ3 . "Nmr Solution Of Rabbit Prion Protein (91-228)" . . . . . 100.00 138 98.55 99.28 1.22e-96 . . . . 15394 1 7 no PDB 2JOH . "Nmr Structure Of Rabbit Prion Protein Mutation S173n" . . . . . 100.00 148 99.28 99.28 2.90e-97 . . . . 15394 1 8 no PDB 2JOM . "Nmr Structure Of Rabbit Prion Protein Mutation I214v" . . . . . 100.00 148 97.83 99.28 2.05e-96 . . . . 15394 1 9 no PDB 3O79 . "Crystal Structure Of Wild-Type Rabbit Prp 126-230" . . . . . 75.36 105 99.04 100.00 2.24e-70 . . . . 15394 1 10 no EMBL CBK44083 . "prnp [Sciurus lis]" . . . . . 93.48 180 96.90 99.22 9.78e-88 . . . . 15394 1 11 no GB AAC48697 . "major prion protein [Oryctolagus cuniculus]" . . . . . 100.00 252 98.55 99.28 1.00e-94 . . . . 15394 1 12 no GB AAD01554 . "prion protein [Oryctolagus cuniculus]" . . . . . 99.28 254 98.54 99.27 4.77e-94 . . . . 15394 1 13 no GB AAQ81748 . "prion protein [Ovis aries]" . . . . . 50.72 70 97.14 100.00 1.26e-42 . . . . 15394 1 14 no GB AAQ81756 . "prion protein [Ovis aries]" . . . . . 50.72 70 97.14 100.00 6.41e-43 . . . . 15394 1 15 no GB ABL75505 . "prion protein, partial [Oryctolagus cuniculus]" . . . . . 100.00 244 98.55 99.28 9.09e-95 . . . . 15394 1 16 no REF NP_001075490 . "major prion protein precursor [Oryctolagus cuniculus]" . . . . . 99.28 254 98.54 99.27 4.77e-94 . . . . 15394 1 17 no REF XP_008254357 . "PREDICTED: major prion protein isoform X1 [Oryctolagus cuniculus]" . . . . . 100.00 252 98.55 99.28 1.00e-94 . . . . 15394 1 18 no REF XP_008254358 . "PREDICTED: major prion protein isoform X1 [Oryctolagus cuniculus]" . . . . . 100.00 252 98.55 99.28 1.00e-94 . . . . 15394 1 19 no SP Q95211 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" . . . . . 100.00 252 98.55 99.28 1.00e-94 . . . . 15394 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 91 GLN . 15394 1 2 92 GLY . 15394 1 3 93 GLY . 15394 1 4 94 THR . 15394 1 5 95 HIS . 15394 1 6 96 ASN . 15394 1 7 97 GLN . 15394 1 8 98 TRP . 15394 1 9 99 GLY . 15394 1 10 100 LYS . 15394 1 11 101 PRO . 15394 1 12 102 SER . 15394 1 13 103 LYS . 15394 1 14 104 PRO . 15394 1 15 105 LYS . 15394 1 16 106 THR . 15394 1 17 107 SER . 15394 1 18 108 MET . 15394 1 19 109 LYS . 15394 1 20 110 HIS . 15394 1 21 111 VAL . 15394 1 22 112 ALA . 15394 1 23 113 PRO . 15394 1 24 114 ALA . 15394 1 25 115 ALA . 15394 1 26 116 ALA . 15394 1 27 117 ALA . 15394 1 28 118 GLY . 15394 1 29 119 ALA . 15394 1 30 120 VAL . 15394 1 31 121 VAL . 15394 1 32 122 GLY . 15394 1 33 123 GLY . 15394 1 34 124 LEU . 15394 1 35 125 GLY . 15394 1 36 126 GLY . 15394 1 37 127 TYR . 15394 1 38 128 MET . 15394 1 39 129 LEU . 15394 1 40 130 GLY . 15394 1 41 131 SER . 15394 1 42 132 ALA . 15394 1 43 133 MET . 15394 1 44 134 SER . 15394 1 45 135 ARG . 15394 1 46 136 PRO . 15394 1 47 137 LEU . 15394 1 48 138 ILE . 15394 1 49 139 HIS . 15394 1 50 140 PHE . 15394 1 51 141 GLY . 15394 1 52 142 ASN . 15394 1 53 143 ASP . 15394 1 54 144 TYR . 15394 1 55 145 GLU . 15394 1 56 146 ASP . 15394 1 57 147 ARG . 15394 1 58 148 TYR . 15394 1 59 149 TYR . 15394 1 60 150 ARG . 15394 1 61 151 GLU . 15394 1 62 152 ASN . 15394 1 63 153 MET . 15394 1 64 154 TYR . 15394 1 65 155 ARG . 15394 1 66 156 TYR . 15394 1 67 157 PRO . 15394 1 68 158 ASN . 15394 1 69 159 GLN . 15394 1 70 160 VAL . 15394 1 71 161 TYR . 15394 1 72 162 TYR . 15394 1 73 163 ARG . 15394 1 74 164 PRO . 15394 1 75 165 VAL . 15394 1 76 166 ASP . 15394 1 77 167 GLN . 15394 1 78 168 TYR . 15394 1 79 169 SER . 15394 1 80 170 ASN . 15394 1 81 171 GLN . 15394 1 82 172 ASN . 15394 1 83 173 ASN . 15394 1 84 174 PHE . 15394 1 85 175 VAL . 15394 1 86 176 HIS . 15394 1 87 177 ASP . 15394 1 88 178 CYS . 15394 1 89 179 VAL . 15394 1 90 180 ASN . 15394 1 91 181 ILE . 15394 1 92 182 THR . 15394 1 93 183 VAL . 15394 1 94 184 LYS . 15394 1 95 185 GLN . 15394 1 96 186 HIS . 15394 1 97 187 THR . 15394 1 98 188 VAL . 15394 1 99 189 THR . 15394 1 100 190 THR . 15394 1 101 191 THR . 15394 1 102 192 THR . 15394 1 103 193 LYS . 15394 1 104 194 GLY . 15394 1 105 195 GLU . 15394 1 106 196 ASN . 15394 1 107 197 PHE . 15394 1 108 198 THR . 15394 1 109 199 GLU . 15394 1 110 200 THR . 15394 1 111 201 ASP . 15394 1 112 202 ILE . 15394 1 113 203 LYS . 15394 1 114 204 ILE . 15394 1 115 205 MET . 15394 1 116 206 GLU . 15394 1 117 207 ARG . 15394 1 118 208 VAL . 15394 1 119 209 VAL . 15394 1 120 210 GLU . 15394 1 121 211 GLN . 15394 1 122 212 MET . 15394 1 123 213 CYS . 15394 1 124 214 ILE . 15394 1 125 215 THR . 15394 1 126 216 GLN . 15394 1 127 217 TYR . 15394 1 128 218 GLN . 15394 1 129 219 GLN . 15394 1 130 220 GLU . 15394 1 131 221 SER . 15394 1 132 222 GLN . 15394 1 133 223 ALA . 15394 1 134 224 ALA . 15394 1 135 225 TYR . 15394 1 136 226 GLN . 15394 1 137 227 ARG . 15394 1 138 228 ALA . 15394 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 . GLN 1 1 15394 1 . GLY 2 2 15394 1 . GLY 3 3 15394 1 . THR 4 4 15394 1 . HIS 5 5 15394 1 . ASN 6 6 15394 1 . GLN 7 7 15394 1 . TRP 8 8 15394 1 . GLY 9 9 15394 1 . LYS 10 10 15394 1 . PRO 11 11 15394 1 . SER 12 12 15394 1 . LYS 13 13 15394 1 . PRO 14 14 15394 1 . LYS 15 15 15394 1 . THR 16 16 15394 1 . SER 17 17 15394 1 . MET 18 18 15394 1 . LYS 19 19 15394 1 . HIS 20 20 15394 1 . VAL 21 21 15394 1 . ALA 22 22 15394 1 . PRO 23 23 15394 1 . ALA 24 24 15394 1 . ALA 25 25 15394 1 . ALA 26 26 15394 1 . ALA 27 27 15394 1 . GLY 28 28 15394 1 . ALA 29 29 15394 1 . VAL 30 30 15394 1 . VAL 31 31 15394 1 . GLY 32 32 15394 1 . GLY 33 33 15394 1 . LEU 34 34 15394 1 . GLY 35 35 15394 1 . GLY 36 36 15394 1 . TYR 37 37 15394 1 . MET 38 38 15394 1 . LEU 39 39 15394 1 . GLY 40 40 15394 1 . SER 41 41 15394 1 . ALA 42 42 15394 1 . MET 43 43 15394 1 . SER 44 44 15394 1 . ARG 45 45 15394 1 . PRO 46 46 15394 1 . LEU 47 47 15394 1 . ILE 48 48 15394 1 . HIS 49 49 15394 1 . PHE 50 50 15394 1 . GLY 51 51 15394 1 . ASN 52 52 15394 1 . ASP 53 53 15394 1 . TYR 54 54 15394 1 . GLU 55 55 15394 1 . ASP 56 56 15394 1 . ARG 57 57 15394 1 . TYR 58 58 15394 1 . TYR 59 59 15394 1 . ARG 60 60 15394 1 . GLU 61 61 15394 1 . ASN 62 62 15394 1 . MET 63 63 15394 1 . TYR 64 64 15394 1 . ARG 65 65 15394 1 . TYR 66 66 15394 1 . PRO 67 67 15394 1 . ASN 68 68 15394 1 . GLN 69 69 15394 1 . VAL 70 70 15394 1 . TYR 71 71 15394 1 . TYR 72 72 15394 1 . ARG 73 73 15394 1 . PRO 74 74 15394 1 . VAL 75 75 15394 1 . ASP 76 76 15394 1 . GLN 77 77 15394 1 . TYR 78 78 15394 1 . SER 79 79 15394 1 . ASN 80 80 15394 1 . GLN 81 81 15394 1 . ASN 82 82 15394 1 . ASN 83 83 15394 1 . PHE 84 84 15394 1 . VAL 85 85 15394 1 . HIS 86 86 15394 1 . ASP 87 87 15394 1 . CYS 88 88 15394 1 . VAL 89 89 15394 1 . ASN 90 90 15394 1 . ILE 91 91 15394 1 . THR 92 92 15394 1 . VAL 93 93 15394 1 . LYS 94 94 15394 1 . GLN 95 95 15394 1 . HIS 96 96 15394 1 . THR 97 97 15394 1 . VAL 98 98 15394 1 . THR 99 99 15394 1 . THR 100 100 15394 1 . THR 101 101 15394 1 . THR 102 102 15394 1 . LYS 103 103 15394 1 . GLY 104 104 15394 1 . GLU 105 105 15394 1 . ASN 106 106 15394 1 . PHE 107 107 15394 1 . THR 108 108 15394 1 . GLU 109 109 15394 1 . THR 110 110 15394 1 . ASP 111 111 15394 1 . ILE 112 112 15394 1 . LYS 113 113 15394 1 . ILE 114 114 15394 1 . MET 115 115 15394 1 . GLU 116 116 15394 1 . ARG 117 117 15394 1 . VAL 118 118 15394 1 . VAL 119 119 15394 1 . GLU 120 120 15394 1 . GLN 121 121 15394 1 . MET 122 122 15394 1 . CYS 123 123 15394 1 . ILE 124 124 15394 1 . THR 125 125 15394 1 . GLN 126 126 15394 1 . TYR 127 127 15394 1 . GLN 128 128 15394 1 . GLN 129 129 15394 1 . GLU 130 130 15394 1 . SER 131 131 15394 1 . GLN 132 132 15394 1 . ALA 133 133 15394 1 . ALA 134 134 15394 1 . TYR 135 135 15394 1 . GLN 136 136 15394 1 . ARG 137 137 15394 1 . ALA 138 138 15394 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 15394 _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 . 9986 organism . 'Oryctolagus cuniculus' rabbit . . Eukaryota Metazoa Oryctolagus cuniculus . . . . . . . . . . . . . . . . . . . . . 15394 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 15394 _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 . . . . . . . . . . . . . . . . pET-30a(+) . . . . . . 15394 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15394 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'rpp S173N' '[U-13C; U-15N]' . . 1 $entity . . . 0.8 1 mM . . . . 15394 1 2 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 15394 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15394 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'rpp S173N' [U-15N] . . 1 $entity . . . 0.8 1 mM . . . . 15394 2 2 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 15394 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15394 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 4.5 . pH 15394 1 pressure 1 . atm 15394 1 temperature 298.13 . K 15394 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 15394 _Software.ID 1 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 15394 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15394 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15394 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15394 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15394 2 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 15394 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 15394 _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 Varian INOVA . 600 . . . 15394 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 15394 _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 CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15394 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15394 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 15394 _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 carbon' . . . . ppm 0 internal indirect 1 . . . . . . . . . 15394 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal indirect 1 . . . . . . . . . 15394 1 N 15 DSS nitrogen . . . . ppm 0 internal indirect 1 . . . . . . . . . 15394 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 15394 _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 CBCA(CO)NH' . . . 15394 1 2 '3D HNCACB' . . . 15394 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLY H H 1 8.610 0.000 . 1 . . . . 92 G HN . 15394 1 2 . 1 1 2 2 GLY N N 15 111.372 0.000 . 1 . . . . 92 G N . 15394 1 3 . 1 1 4 4 THR H H 1 8.107 0.000 . 1 . . . . 94 T HN . 15394 1 4 . 1 1 4 4 THR N N 15 113.143 0.000 . 1 . . . . 94 T N . 15394 1 5 . 1 1 5 5 HIS H H 1 8.571 0.000 . 1 . . . . 95 H HN . 15394 1 6 . 1 1 5 5 HIS HA H 1 4.567 0.007 . 1 . . . . 95 H HA . 15394 1 7 . 1 1 5 5 HIS HD2 H 1 7.121 0.000 . 1 . . . . 95 H HD2 . 15394 1 8 . 1 1 5 5 HIS CA C 13 56.080 0.000 . 1 . . . . 95 H CA . 15394 1 9 . 1 1 5 5 HIS N N 15 120.521 0.000 . 1 . . . . 95 H N . 15394 1 10 . 1 1 6 6 ASN H H 1 8.395 0.000 . 1 . . . . 96 N HN . 15394 1 11 . 1 1 6 6 ASN N N 15 119.835 0.000 . 1 . . . . 96 N N . 15394 1 12 . 1 1 7 7 GLN H H 1 8.362 0.000 . 1 . . . . 97 Q HN . 15394 1 13 . 1 1 7 7 GLN N N 15 120.654 0.000 . 1 . . . . 97 Q N . 15394 1 14 . 1 1 8 8 TRP H H 1 8.120 0.000 . 1 . . . . 98 W HN . 15394 1 15 . 1 1 8 8 TRP HA H 1 4.708 0.008 . 1 . . . . 98 W HA . 15394 1 16 . 1 1 8 8 TRP HB2 H 1 3.222 0.000 . 1 . . . . 98 W HB1 . 15394 1 17 . 1 1 8 8 TRP HB3 H 1 3.348 0.000 . 1 . . . . 98 W HB2 . 15394 1 18 . 1 1 8 8 TRP CA C 13 57.044 0.000 . 1 . . . . 98 W CA . 15394 1 19 . 1 1 8 8 TRP N N 15 121.752 0.000 . 1 . . . . 98 W N . 15394 1 20 . 1 1 9 9 GLY H H 1 8.175 0.002 . 1 . . . . 99 G HN . 15394 1 21 . 1 1 9 9 GLY HA2 H 1 3.824 0.008 . 1 . . . . 99 G HA# . 15394 1 22 . 1 1 9 9 GLY HA3 H 1 3.824 0.008 . 1 . . . . 99 G HA# . 15394 1 23 . 1 1 9 9 GLY N N 15 110.149 0.007 . 1 . . . . 99 G N . 15394 1 24 . 1 1 10 10 LYS H H 1 8.040 0.000 . 1 . . . . 100 K HN . 15394 1 25 . 1 1 10 10 LYS N N 15 121.740 0.000 . 1 . . . . 100 K N . 15394 1 26 . 1 1 12 12 SER HA H 1 4.415 0.000 . 1 . . . . 102 S HA . 15394 1 27 . 1 1 13 13 LYS H H 1 8.314 0.002 . 1 . . . . 103 K HN . 15394 1 28 . 1 1 13 13 LYS HD2 H 1 1.698 0.000 . 2 . . . . 103 K HD# . 15394 1 29 . 1 1 13 13 LYS HD3 H 1 1.698 0.000 . 2 . . . . 103 K HD# . 15394 1 30 . 1 1 13 13 LYS N N 15 124.116 0.020 . 1 . . . . 103 K N . 15394 1 31 . 1 1 15 15 LYS H H 1 8.530 0.000 . 1 . . . . 105 K HN . 15394 1 32 . 1 1 15 15 LYS N N 15 122.181 0.000 . 1 . . . . 105 K N . 15394 1 33 . 1 1 16 16 THR H H 1 8.133 0.000 . 1 . . . . 106 T HN . 15394 1 34 . 1 1 16 16 THR N N 15 115.454 0.000 . 1 . . . . 106 T N . 15394 1 35 . 1 1 17 17 SER H H 1 8.380 0.000 . 1 . . . . 107 S HN . 15394 1 36 . 1 1 17 17 SER N N 15 118.241 0.000 . 1 . . . . 107 S N . 15394 1 37 . 1 1 18 18 MET H H 1 8.404 0.000 . 1 . . . . 108 M HN . 15394 1 38 . 1 1 18 18 MET HA H 1 4.479 0.001 . 1 . . . . 108 M HA . 15394 1 39 . 1 1 18 18 MET HB2 H 1 2.048 0.000 . 2 . . . . 108 M HB1 . 15394 1 40 . 1 1 18 18 MET HG2 H 1 2.521 0.000 . 2 . . . . 108 M HG1 . 15394 1 41 . 1 1 18 18 MET CA C 13 55.354 0.003 . 1 . . . . 108 M CA . 15394 1 42 . 1 1 18 18 MET N N 15 122.839 0.000 . 1 . . . . 108 M N . 15394 1 43 . 1 1 19 19 LYS H H 1 8.285 0.000 . 1 . . . . 109 K HN . 15394 1 44 . 1 1 19 19 LYS N N 15 122.726 0.000 . 1 . . . . 109 K N . 15394 1 45 . 1 1 20 20 HIS H H 1 8.576 0.000 . 1 . . . . 110 H HN . 15394 1 46 . 1 1 20 20 HIS N N 15 120.757 0.000 . 1 . . . . 110 H N . 15394 1 47 . 1 1 21 21 VAL H H 1 8.226 0.000 . 1 . . . . 111 V HN . 15394 1 48 . 1 1 21 21 VAL N N 15 122.888 0.000 . 1 . . . . 111 V N . 15394 1 49 . 1 1 22 22 ALA H H 1 8.469 0.000 . 1 . . . . 112 A HN . 15394 1 50 . 1 1 22 22 ALA N N 15 128.392 0.000 . 1 . . . . 112 A N . 15394 1 51 . 1 1 24 24 ALA H H 1 8.150 0.000 . 1 . . . . 114 A HN . 15394 1 52 . 1 1 24 24 ALA HA H 1 4.284 0.007 . 1 . . . . 114 A HA . 15394 1 53 . 1 1 24 24 ALA CA C 13 52.389 0.026 . 1 . . . . 114 A CA . 15394 1 54 . 1 1 24 24 ALA N N 15 123.854 0.000 . 1 . . . . 114 A N . 15394 1 55 . 1 1 25 25 ALA H H 1 8.289 0.000 . 1 . . . . 115 A HN . 15394 1 56 . 1 1 25 25 ALA N N 15 123.356 0.000 . 1 . . . . 115 A N . 15394 1 57 . 1 1 26 26 ALA H H 1 8.200 0.000 . 1 . . . . 116 A HN . 15394 1 58 . 1 1 26 26 ALA N N 15 123.416 0.000 . 1 . . . . 116 A N . 15394 1 59 . 1 1 27 27 ALA H H 1 8.223 0.000 . 1 . . . . 117 A HN . 15394 1 60 . 1 1 27 27 ALA N N 15 123.360 0.000 . 1 . . . . 117 A N . 15394 1 61 . 1 1 28 28 GLY CA C 13 45.125 0.000 . 1 . . . . 118 G CA . 15394 1 62 . 1 1 29 29 ALA H H 1 8.044 0.002 . 1 . . . . 119 A HN . 15394 1 63 . 1 1 29 29 ALA CA C 13 52.362 0.002 . 1 . . . . 119 A CA . 15394 1 64 . 1 1 29 29 ALA CB C 13 19.409 0.000 . 1 . . . . 119 A CB . 15394 1 65 . 1 1 29 29 ALA N N 15 123.582 0.018 . 1 . . . . 119 A N . 15394 1 66 . 1 1 30 30 VAL H H 1 8.117 0.001 . 1 . . . . 120 V HN . 15394 1 67 . 1 1 30 30 VAL HA H 1 4.122 0.011 . 1 . . . . 120 V HA . 15394 1 68 . 1 1 30 30 VAL HB H 1 2.008 0.007 . 1 . . . . 120 V HB . 15394 1 69 . 1 1 30 30 VAL HG11 H 1 0.871 0.000 . 1 . . . . 120 V HG# . 15394 1 70 . 1 1 30 30 VAL HG12 H 1 0.871 0.000 . 1 . . . . 120 V HG# . 15394 1 71 . 1 1 30 30 VAL HG13 H 1 0.871 0.000 . 1 . . . . 120 V HG# . 15394 1 72 . 1 1 30 30 VAL HG21 H 1 0.871 0.000 . 1 . . . . 120 V HG# . 15394 1 73 . 1 1 30 30 VAL HG22 H 1 0.871 0.000 . 1 . . . . 120 V HG# . 15394 1 74 . 1 1 30 30 VAL HG23 H 1 0.871 0.000 . 1 . . . . 120 V HG# . 15394 1 75 . 1 1 30 30 VAL CA C 13 62.168 0.069 . 1 . . . . 120 V CA . 15394 1 76 . 1 1 30 30 VAL CB C 13 32.749 0.078 . 1 . . . . 120 V CB . 15394 1 77 . 1 1 30 30 VAL CG1 C 13 20.985 0.000 . 1 . . . . 120 V CG# . 15394 1 78 . 1 1 30 30 VAL CG2 C 13 20.985 0.000 . 1 . . . . 120 V CG# . 15394 1 79 . 1 1 30 30 VAL N N 15 119.682 0.020 . 1 . . . . 120 V N . 15394 1 80 . 1 1 31 31 VAL H H 1 8.261 0.002 . 1 . . . . 121 V HN . 15394 1 81 . 1 1 31 31 VAL HA H 1 4.085 0.007 . 1 . . . . 121 V HA . 15394 1 82 . 1 1 31 31 VAL HB H 1 2.013 0.006 . 1 . . . . 121 V HB . 15394 1 83 . 1 1 31 31 VAL HG11 H 1 0.891 0.003 . 2 . . . . 121 V HG1# . 15394 1 84 . 1 1 31 31 VAL HG12 H 1 0.891 0.003 . 2 . . . . 121 V HG1# . 15394 1 85 . 1 1 31 31 VAL HG13 H 1 0.891 0.003 . 2 . . . . 121 V HG1# . 15394 1 86 . 1 1 31 31 VAL HG21 H 1 0.884 0.000 . 2 . . . . 121 V HG2# . 15394 1 87 . 1 1 31 31 VAL HG22 H 1 0.884 0.000 . 2 . . . . 121 V HG2# . 15394 1 88 . 1 1 31 31 VAL HG23 H 1 0.884 0.000 . 2 . . . . 121 V HG2# . 15394 1 89 . 1 1 31 31 VAL CA C 13 62.382 0.193 . 1 . . . . 121 V CA . 15394 1 90 . 1 1 31 31 VAL CB C 13 32.554 0.000 . 1 . . . . 121 V CB . 15394 1 91 . 1 1 31 31 VAL CG1 C 13 20.948 0.000 . 1 . . . . 121 V CG# . 15394 1 92 . 1 1 31 31 VAL CG2 C 13 20.948 0.000 . 1 . . . . 121 V CG# . 15394 1 93 . 1 1 31 31 VAL N N 15 124.665 0.044 . 1 . . . . 121 V N . 15394 1 94 . 1 1 32 32 GLY H H 1 8.538 0.016 . 1 . . . . 122 G HN . 15394 1 95 . 1 1 32 32 GLY HA2 H 1 3.939 0.006 . 1 . . . . 122 G HA# . 15394 1 96 . 1 1 32 32 GLY HA3 H 1 3.939 0.006 . 1 . . . . 122 G HA# . 15394 1 97 . 1 1 32 32 GLY CA C 13 45.234 0.077 . 1 . . . . 122 G CA . 15394 1 98 . 1 1 32 32 GLY N N 15 113.248 0.103 . 1 . . . . 122 G N . 15394 1 99 . 1 1 33 33 GLY HA2 H 1 3.949 0.013 . 1 . . . . 123 G HA# . 15394 1 100 . 1 1 33 33 GLY HA3 H 1 3.949 0.013 . 1 . . . . 123 G HA# . 15394 1 101 . 1 1 33 33 GLY CA C 13 45.351 0.000 . 1 . . . . 123 G CA . 15394 1 102 . 1 1 34 34 LEU H H 1 8.212 0.005 . 1 . . . . 124 L HN . 15394 1 103 . 1 1 34 34 LEU HA H 1 4.338 0.010 . 1 . . . . 124 L HA . 15394 1 104 . 1 1 34 34 LEU HB2 H 1 1.555 0.017 . 1 . . . . 124 L HB1 . 15394 1 105 . 1 1 34 34 LEU HB3 H 1 1.506 0.011 . 1 . . . . 124 L HB2 . 15394 1 106 . 1 1 34 34 LEU HD11 H 1 0.621 0.018 . 1 . . . . 124 L HD1# . 15394 1 107 . 1 1 34 34 LEU HD12 H 1 0.621 0.018 . 1 . . . . 124 L HD1# . 15394 1 108 . 1 1 34 34 LEU HD13 H 1 0.621 0.018 . 1 . . . . 124 L HD1# . 15394 1 109 . 1 1 34 34 LEU HD21 H 1 0.523 0.008 . 1 . . . . 124 L HD2# . 15394 1 110 . 1 1 34 34 LEU HD22 H 1 0.523 0.008 . 1 . . . . 124 L HD2# . 15394 1 111 . 1 1 34 34 LEU HD23 H 1 0.523 0.008 . 1 . . . . 124 L HD2# . 15394 1 112 . 1 1 34 34 LEU HG H 1 1.480 0.025 . 1 . . . . 124 L HG . 15394 1 113 . 1 1 34 34 LEU CA C 13 54.901 0.065 . 1 . . . . 124 L CA . 15394 1 114 . 1 1 34 34 LEU CB C 13 42.405 0.011 . 1 . . . . 124 L CB . 15394 1 115 . 1 1 34 34 LEU CD1 C 13 24.636 0.022 . 1 . . . . 124 L CD1 . 15394 1 116 . 1 1 34 34 LEU CD2 C 13 23.413 0.011 . 1 . . . . 124 L CD2 . 15394 1 117 . 1 1 34 34 LEU CG C 13 26.868 0.076 . 1 . . . . 124 L CG . 15394 1 118 . 1 1 34 34 LEU N N 15 121.618 0.032 . 1 . . . . 124 L N . 15394 1 119 . 1 1 35 35 GLY H H 1 8.517 0.005 . 1 . . . . 125 G HN . 15394 1 120 . 1 1 35 35 GLY HA2 H 1 3.918 0.022 . 2 . . . . 125 G HA1 . 15394 1 121 . 1 1 35 35 GLY CA C 13 46.319 0.003 . 1 . . . . 125 G CA . 15394 1 122 . 1 1 35 35 GLY N N 15 109.787 0.036 . 1 . . . . 125 G N . 15394 1 123 . 1 1 36 36 GLY H H 1 8.370 0.004 . 1 . . . . 126 G HN . 15394 1 124 . 1 1 36 36 GLY HA2 H 1 3.764 0.005 . 1 . . . . 126 G HA1 . 15394 1 125 . 1 1 36 36 GLY HA3 H 1 3.892 0.012 . 1 . . . . 126 G HA2 . 15394 1 126 . 1 1 36 36 GLY CA C 13 45.131 0.000 . 1 . . . . 126 G CA . 15394 1 127 . 1 1 36 36 GLY N N 15 109.257 0.030 . 1 . . . . 126 G N . 15394 1 128 . 1 1 37 37 TYR H H 1 7.768 0.020 . 1 . . . . 127 Y HN . 15394 1 129 . 1 1 37 37 TYR HA H 1 4.407 0.006 . 1 . . . . 127 Y HA . 15394 1 130 . 1 1 37 37 TYR HB2 H 1 2.869 0.015 . 1 . . . . 127 Y HB1 . 15394 1 131 . 1 1 37 37 TYR HB3 H 1 2.926 0.016 . 1 . . . . 127 Y HB2 . 15394 1 132 . 1 1 37 37 TYR HD1 H 1 6.846 0.020 . 3 . . . . 127 Y HD1 . 15394 1 133 . 1 1 37 37 TYR CA C 13 58.272 0.046 . 1 . . . . 127 Y CA . 15394 1 134 . 1 1 37 37 TYR CB C 13 39.964 0.080 . 1 . . . . 127 Y CB . 15394 1 135 . 1 1 37 37 TYR N N 15 117.928 0.038 . 1 . . . . 127 Y N . 15394 1 136 . 1 1 38 38 MET H H 1 9.092 0.006 . 1 . . . . 128 M HN . 15394 1 137 . 1 1 38 38 MET HA H 1 4.497 0.026 . 1 . . . . 128 M HA . 15394 1 138 . 1 1 38 38 MET HB2 H 1 1.586 0.008 . 1 . . . . 128 M HB1 . 15394 1 139 . 1 1 38 38 MET HB3 H 1 1.020 0.013 . 1 . . . . 128 M HB2 . 15394 1 140 . 1 1 38 38 MET HE1 H 1 1.972 0.006 . 1 . . . . 128 M HE# . 15394 1 141 . 1 1 38 38 MET HE2 H 1 1.972 0.006 . 1 . . . . 128 M HE# . 15394 1 142 . 1 1 38 38 MET HE3 H 1 1.972 0.006 . 1 . . . . 128 M HE# . 15394 1 143 . 1 1 38 38 MET HG2 H 1 2.205 0.020 . 1 . . . . 128 M HG1 . 15394 1 144 . 1 1 38 38 MET HG3 H 1 2.004 0.006 . 1 . . . . 128 M HG2 . 15394 1 145 . 1 1 38 38 MET CA C 13 53.662 0.157 . 1 . . . . 128 M CA . 15394 1 146 . 1 1 38 38 MET CB C 13 34.445 0.106 . 1 . . . . 128 M CB . 15394 1 147 . 1 1 38 38 MET CE C 13 17.179 0.051 . 1 . . . . 128 M CE . 15394 1 148 . 1 1 38 38 MET CG C 13 31.817 0.020 . 1 . . . . 128 M CG . 15394 1 149 . 1 1 38 38 MET N N 15 121.380 0.028 . 1 . . . . 128 M N . 15394 1 150 . 1 1 39 39 LEU H H 1 8.047 0.006 . 1 . . . . 129 L HN . 15394 1 151 . 1 1 39 39 LEU HA H 1 4.521 0.018 . 1 . . . . 129 L HA . 15394 1 152 . 1 1 39 39 LEU HB2 H 1 1.614 0.019 . 1 . . . . 129 L HB1 . 15394 1 153 . 1 1 39 39 LEU HB3 H 1 0.995 0.006 . 1 . . . . 129 L HB2 . 15394 1 154 . 1 1 39 39 LEU HD11 H 1 0.605 0.008 . 1 . . . . 129 L HD1# . 15394 1 155 . 1 1 39 39 LEU HD12 H 1 0.605 0.008 . 1 . . . . 129 L HD1# . 15394 1 156 . 1 1 39 39 LEU HD13 H 1 0.605 0.008 . 1 . . . . 129 L HD1# . 15394 1 157 . 1 1 39 39 LEU HD21 H 1 -0.009 0.003 . 1 . . . . 129 L HD2# . 15394 1 158 . 1 1 39 39 LEU HD22 H 1 -0.009 0.003 . 1 . . . . 129 L HD2# . 15394 1 159 . 1 1 39 39 LEU HD23 H 1 -0.009 0.003 . 1 . . . . 129 L HD2# . 15394 1 160 . 1 1 39 39 LEU HG H 1 1.402 0.017 . 1 . . . . 129 L HG . 15394 1 161 . 1 1 39 39 LEU CA C 13 53.282 0.020 . 1 . . . . 129 L CA . 15394 1 162 . 1 1 39 39 LEU CB C 13 43.596 0.053 . 1 . . . . 129 L CB . 15394 1 163 . 1 1 39 39 LEU CD1 C 13 25.660 0.087 . 1 . . . . 129 L CD1 . 15394 1 164 . 1 1 39 39 LEU CD2 C 13 21.819 0.000 . 1 . . . . 129 L CD2 . 15394 1 165 . 1 1 39 39 LEU CG C 13 25.886 0.063 . 1 . . . . 129 L CG . 15394 1 166 . 1 1 39 39 LEU N N 15 121.425 0.094 . 1 . . . . 129 L N . 15394 1 167 . 1 1 40 40 GLY H H 1 9.334 0.007 . 1 . . . . 130 G HN . 15394 1 168 . 1 1 40 40 GLY HA2 H 1 4.429 0.020 . 1 . . . . 130 G HA1 . 15394 1 169 . 1 1 40 40 GLY HA3 H 1 4.136 0.012 . 1 . . . . 130 G HA2 . 15394 1 170 . 1 1 40 40 GLY CA C 13 44.997 0.119 . 1 . . . . 130 G CA . 15394 1 171 . 1 1 40 40 GLY N N 15 114.989 0.038 . 1 . . . . 130 G N . 15394 1 172 . 1 1 41 41 SER H H 1 8.343 0.007 . 1 . . . . 131 S HN . 15394 1 173 . 1 1 41 41 SER HA H 1 4.405 0.008 . 1 . . . . 131 S HA . 15394 1 174 . 1 1 41 41 SER HB2 H 1 3.924 0.014 . 1 . . . . 131 S HB1 . 15394 1 175 . 1 1 41 41 SER HB3 H 1 3.957 0.007 . 1 . . . . 131 S HB2 . 15394 1 176 . 1 1 41 41 SER CA C 13 58.540 0.060 . 1 . . . . 131 S CA . 15394 1 177 . 1 1 41 41 SER CB C 13 63.971 0.113 . 1 . . . . 131 S CB . 15394 1 178 . 1 1 41 41 SER N N 15 113.553 0.107 . 1 . . . . 131 S N . 15394 1 179 . 1 1 42 42 ALA H H 1 8.602 0.008 . 1 . . . . 132 A HN . 15394 1 180 . 1 1 42 42 ALA HA H 1 4.385 0.009 . 1 . . . . 132 A HA . 15394 1 181 . 1 1 42 42 ALA HB1 H 1 1.264 0.008 . 1 . . . . 132 A HB# . 15394 1 182 . 1 1 42 42 ALA HB2 H 1 1.264 0.008 . 1 . . . . 132 A HB# . 15394 1 183 . 1 1 42 42 ALA HB3 H 1 1.264 0.008 . 1 . . . . 132 A HB# . 15394 1 184 . 1 1 42 42 ALA CA C 13 52.943 0.039 . 1 . . . . 132 A CA . 15394 1 185 . 1 1 42 42 ALA CB C 13 18.304 0.089 . 1 . . . . 132 A CB . 15394 1 186 . 1 1 42 42 ALA N N 15 124.849 0.041 . 1 . . . . 132 A N . 15394 1 187 . 1 1 43 43 MET H H 1 8.823 0.010 . 1 . . . . 133 M HN . 15394 1 188 . 1 1 43 43 MET HA H 1 4.736 0.017 . 1 . . . . 133 M HA . 15394 1 189 . 1 1 43 43 MET HB2 H 1 2.075 0.014 . 1 . . . . 133 M HB1 . 15394 1 190 . 1 1 43 43 MET HB3 H 1 1.956 0.010 . 1 . . . . 133 M HB2 . 15394 1 191 . 1 1 43 43 MET HE1 H 1 1.896 0.017 . 1 . . . . 133 M HE# . 15394 1 192 . 1 1 43 43 MET HE2 H 1 1.896 0.017 . 1 . . . . 133 M HE# . 15394 1 193 . 1 1 43 43 MET HE3 H 1 1.896 0.017 . 1 . . . . 133 M HE# . 15394 1 194 . 1 1 43 43 MET HG2 H 1 2.448 0.013 . 1 . . . . 133 M HG1 . 15394 1 195 . 1 1 43 43 MET HG3 H 1 2.526 0.013 . 1 . . . . 133 M HG2 . 15394 1 196 . 1 1 43 43 MET CA C 13 53.888 0.094 . 1 . . . . 133 M CA . 15394 1 197 . 1 1 43 43 MET CB C 13 36.668 0.130 . 1 . . . . 133 M CB . 15394 1 198 . 1 1 43 43 MET CE C 13 16.613 0.013 . 1 . . . . 133 M CE . 15394 1 199 . 1 1 43 43 MET CG C 13 31.218 0.044 . 1 . . . . 133 M CG . 15394 1 200 . 1 1 43 43 MET N N 15 121.763 0.041 . 1 . . . . 133 M N . 15394 1 201 . 1 1 44 44 SER H H 1 8.429 0.004 . 1 . . . . 134 S HN . 15394 1 202 . 1 1 44 44 SER HA H 1 4.339 0.009 . 1 . . . . 134 S HA . 15394 1 203 . 1 1 44 44 SER HB2 H 1 3.717 0.026 . 1 . . . . 134 S HB1 . 15394 1 204 . 1 1 44 44 SER HB3 H 1 3.806 0.026 . 1 . . . . 134 S HB2 . 15394 1 205 . 1 1 44 44 SER CA C 13 58.634 0.087 . 1 . . . . 134 S CA . 15394 1 206 . 1 1 44 44 SER CB C 13 62.999 0.089 . 1 . . . . 134 S CB . 15394 1 207 . 1 1 44 44 SER N N 15 116.318 0.035 . 1 . . . . 134 S N . 15394 1 208 . 1 1 45 45 ARG H H 1 8.596 0.003 . 1 . . . . 135 R HN . 15394 1 209 . 1 1 45 45 ARG HA H 1 4.383 0.012 . 1 . . . . 135 R HA . 15394 1 210 . 1 1 45 45 ARG HB2 H 1 1.855 0.016 . 1 . . . . 135 R HB1 . 15394 1 211 . 1 1 45 45 ARG HB3 H 1 1.807 0.002 . 1 . . . . 135 R HB2 . 15394 1 212 . 1 1 45 45 ARG HD2 H 1 3.030 0.015 . 1 . . . . 135 R HD1 . 15394 1 213 . 1 1 45 45 ARG HD3 H 1 3.134 0.028 . 1 . . . . 135 R HD2 . 15394 1 214 . 1 1 45 45 ARG HG2 H 1 1.754 0.002 . 2 . . . . 135 R HG2 . 15394 1 215 . 1 1 45 45 ARG CA C 13 54.910 0.012 . 1 . . . . 135 R CA . 15394 1 216 . 1 1 45 45 ARG CB C 13 28.881 0.112 . 1 . . . . 135 R CB . 15394 1 217 . 1 1 45 45 ARG CD C 13 43.923 0.031 . 1 . . . . 135 R CD . 15394 1 218 . 1 1 45 45 ARG N N 15 126.099 0.067 . 1 . . . . 135 R N . 15394 1 219 . 1 1 46 46 PRO HA H 1 4.389 0.014 . 1 . . . . 136 P HA . 15394 1 220 . 1 1 46 46 PRO HB2 H 1 2.247 0.034 . 1 . . . . 136 P HB1 . 15394 1 221 . 1 1 46 46 PRO HB3 H 1 1.770 0.006 . 1 . . . . 136 P HB2 . 15394 1 222 . 1 1 46 46 PRO HD2 H 1 3.813 0.032 . 1 . . . . 136 P HD1 . 15394 1 223 . 1 1 46 46 PRO HD3 H 1 3.643 0.010 . 1 . . . . 136 P HD2 . 15394 1 224 . 1 1 46 46 PRO HG2 H 1 1.778 0.007 . 1 . . . . 136 P HG1 . 15394 1 225 . 1 1 46 46 PRO HG3 H 1 2.041 0.019 . 1 . . . . 136 P HG2 . 15394 1 226 . 1 1 46 46 PRO CA C 13 62.452 0.054 . 1 . . . . 136 P CA . 15394 1 227 . 1 1 46 46 PRO CB C 13 32.209 0.103 . 1 . . . . 136 P CB . 15394 1 228 . 1 1 46 46 PRO CD C 13 50.632 0.060 . 1 . . . . 136 P CD . 15394 1 229 . 1 1 46 46 PRO CG C 13 27.527 0.097 . 1 . . . . 136 P CG . 15394 1 230 . 1 1 47 47 LEU H H 1 8.664 0.007 . 1 . . . . 137 L HN . 15394 1 231 . 1 1 47 47 LEU HA H 1 4.556 0.011 . 1 . . . . 137 L HA . 15394 1 232 . 1 1 47 47 LEU HB2 H 1 1.682 0.023 . 1 . . . . 137 L HB1 . 15394 1 233 . 1 1 47 47 LEU HB3 H 1 1.538 0.031 . 1 . . . . 137 L HB2 . 15394 1 234 . 1 1 47 47 LEU HD11 H 1 0.907 0.007 . 1 . . . . 137 L HD1# . 15394 1 235 . 1 1 47 47 LEU HD12 H 1 0.907 0.007 . 1 . . . . 137 L HD1# . 15394 1 236 . 1 1 47 47 LEU HD13 H 1 0.907 0.007 . 1 . . . . 137 L HD1# . 15394 1 237 . 1 1 47 47 LEU HD21 H 1 0.870 0.006 . 1 . . . . 137 L HD2# . 15394 1 238 . 1 1 47 47 LEU HD22 H 1 0.870 0.006 . 1 . . . . 137 L HD2# . 15394 1 239 . 1 1 47 47 LEU HD23 H 1 0.870 0.006 . 1 . . . . 137 L HD2# . 15394 1 240 . 1 1 47 47 LEU HG H 1 1.626 0.032 . 1 . . . . 137 L HG . 15394 1 241 . 1 1 47 47 LEU CA C 13 54.281 0.054 . 1 . . . . 137 L CA . 15394 1 242 . 1 1 47 47 LEU CB C 13 40.213 0.088 . 1 . . . . 137 L CB . 15394 1 243 . 1 1 47 47 LEU CD1 C 13 24.689 0.000 . 1 . . . . 137 L CD1 . 15394 1 244 . 1 1 47 47 LEU CD2 C 13 23.462 0.105 . 1 . . . . 137 L CD2 . 15394 1 245 . 1 1 47 47 LEU CG C 13 27.110 0.000 . 1 . . . . 137 L CG . 15394 1 246 . 1 1 47 47 LEU N N 15 125.044 0.053 . 1 . . . . 137 L N . 15394 1 247 . 1 1 48 48 ILE H H 1 6.973 0.005 . 1 . . . . 138 I HN . 15394 1 248 . 1 1 48 48 ILE HA H 1 3.929 0.016 . 1 . . . . 138 I HA . 15394 1 249 . 1 1 48 48 ILE HB H 1 1.149 0.034 . 1 . . . . 138 I HB . 15394 1 250 . 1 1 48 48 ILE HD11 H 1 0.401 0.014 . 1 . . . . 138 I HD1# . 15394 1 251 . 1 1 48 48 ILE HD12 H 1 0.401 0.014 . 1 . . . . 138 I HD1# . 15394 1 252 . 1 1 48 48 ILE HD13 H 1 0.401 0.014 . 1 . . . . 138 I HD1# . 15394 1 253 . 1 1 48 48 ILE HG12 H 1 0.699 0.008 . 1 . . . . 138 I HG11 . 15394 1 254 . 1 1 48 48 ILE HG13 H 1 0.879 0.008 . 1 . . . . 138 I HG12 . 15394 1 255 . 1 1 48 48 ILE HG21 H 1 0.036 0.003 . 1 . . . . 138 I HG2# . 15394 1 256 . 1 1 48 48 ILE HG22 H 1 0.036 0.003 . 1 . . . . 138 I HG2# . 15394 1 257 . 1 1 48 48 ILE HG23 H 1 0.036 0.003 . 1 . . . . 138 I HG2# . 15394 1 258 . 1 1 48 48 ILE CA C 13 59.484 0.054 . 1 . . . . 138 I CA . 15394 1 259 . 1 1 48 48 ILE CB C 13 39.716 0.088 . 1 . . . . 138 I CB . 15394 1 260 . 1 1 48 48 ILE CD1 C 13 13.180 0.007 . 1 . . . . 138 I CD1 . 15394 1 261 . 1 1 48 48 ILE CG1 C 13 26.634 0.034 . 1 . . . . 138 I CG1 . 15394 1 262 . 1 1 48 48 ILE CG2 C 13 16.919 0.034 . 1 . . . . 138 I CG2 . 15394 1 263 . 1 1 48 48 ILE N N 15 122.356 0.032 . 1 . . . . 138 I N . 15394 1 264 . 1 1 49 49 HIS H H 1 8.296 0.006 . 1 . . . . 139 H HN . 15394 1 265 . 1 1 49 49 HIS HA H 1 4.929 0.010 . 1 . . . . 139 H HA . 15394 1 266 . 1 1 49 49 HIS HB2 H 1 3.273 0.017 . 1 . . . . 139 H HB1 . 15394 1 267 . 1 1 49 49 HIS HB3 H 1 2.984 0.017 . 1 . . . . 139 H HB2 . 15394 1 268 . 1 1 49 49 HIS HD1 H 1 12.632 0.003 . 1 . . . . 139 H HD1 . 15394 1 269 . 1 1 49 49 HIS HE1 H 1 7.252 0.000 . 1 . . . . 139 H HE1 . 15394 1 270 . 1 1 49 49 HIS HE2 H 1 6.573 0.000 . 1 . . . . 139 H HE2 . 15394 1 271 . 1 1 49 49 HIS CA C 13 54.177 0.072 . 1 . . . . 139 H CA . 15394 1 272 . 1 1 49 49 HIS CB C 13 29.344 0.072 . 1 . . . . 139 H N . 15394 1 273 . 1 1 50 50 PHE H H 1 10.346 0.005 . 1 . . . . 140 F HN . 15394 1 274 . 1 1 50 50 PHE HA H 1 4.217 0.028 . 1 . . . . 140 F HA . 15394 1 275 . 1 1 50 50 PHE HB2 H 1 3.336 0.033 . 1 . . . . 140 F HB1 . 15394 1 276 . 1 1 50 50 PHE HB3 H 1 2.838 0.019 . 1 . . . . 140 F HB2 . 15394 1 277 . 1 1 50 50 PHE HD1 H 1 7.373 0.016 . 3 . . . . 140 F HD# . 15394 1 278 . 1 1 50 50 PHE HD2 H 1 7.373 0.016 . 3 . . . . 140 F HD# . 15394 1 279 . 1 1 50 50 PHE HE2 H 1 6.938 0.013 . 3 . . . . 140 F HE2 . 15394 1 280 . 1 1 50 50 PHE HZ H 1 7.271 0.014 . 1 . . . . 140 F HZ . 15394 1 281 . 1 1 50 50 PHE CA C 13 59.802 0.164 . 1 . . . . 140 F CA . 15394 1 282 . 1 1 50 50 PHE CB C 13 40.226 0.024 . 1 . . . . 140 F CB . 15394 1 283 . 1 1 50 50 PHE N N 15 125.148 0.025 . 1 . . . . 140 F N . 15394 1 284 . 1 1 51 51 GLY H H 1 9.018 0.006 . 1 . . . . 141 G HN . 15394 1 285 . 1 1 51 51 GLY HA2 H 1 4.114 0.001 . 1 . . . . 141 G HA1 . 15394 1 286 . 1 1 51 51 GLY HA3 H 1 3.707 0.006 . 1 . . . . 141 G HA2 . 15394 1 287 . 1 1 51 51 GLY CA C 13 45.750 0.037 . 1 . . . . 141 G CA . 15394 1 288 . 1 1 51 51 GLY N N 15 108.836 0.032 . 1 . . . . 141 G N . 15394 1 289 . 1 1 52 52 ASN H H 1 7.228 0.007 . 1 . . . . 142 N HN . 15394 1 290 . 1 1 52 52 ASN HA H 1 4.858 0.009 . 1 . . . . 142 N HA . 15394 1 291 . 1 1 52 52 ASN HB2 H 1 2.793 0.036 . 1 . . . . 142 N HB1 . 15394 1 292 . 1 1 52 52 ASN HB3 H 1 2.851 0.018 . 1 . . . . 142 N HB2 . 15394 1 293 . 1 1 52 52 ASN CA C 13 52.634 0.069 . 1 . . . . 142 N CA . 15394 1 294 . 1 1 52 52 ASN CB C 13 41.523 0.081 . 1 . . . . 142 N CB . 15394 1 295 . 1 1 52 52 ASN N N 15 114.629 0.074 . 1 . . . . 142 N N . 15394 1 296 . 1 1 53 53 ASP H H 1 8.968 0.045 . 1 . . . . 143 D HN . 15394 1 297 . 1 1 53 53 ASP HA H 1 4.429 0.015 . 1 . . . . 143 D HA . 15394 1 298 . 1 1 53 53 ASP HB2 H 1 2.846 0.002 . 1 . . . . 143 D HB1 . 15394 1 299 . 1 1 53 53 ASP HB3 H 1 2.718 0.004 . 1 . . . . 143 D HB2 . 15394 1 300 . 1 1 53 53 ASP CA C 13 57.714 0.128 . 1 . . . . 143 D CA . 15394 1 301 . 1 1 53 53 ASP CB C 13 41.097 0.042 . 1 . . . . 143 D CB . 15394 1 302 . 1 1 53 53 ASP N N 15 123.768 0.045 . 1 . . . . 143 D N . 15394 1 303 . 1 1 54 54 TYR H H 1 8.356 0.006 . 1 . . . . 144 Y HN . 15394 1 304 . 1 1 54 54 TYR HA H 1 4.215 0.008 . 1 . . . . 144 Y HA . 15394 1 305 . 1 1 54 54 TYR HB2 H 1 3.221 0.008 . 1 . . . . 144 Y HB1 . 15394 1 306 . 1 1 54 54 TYR HB3 H 1 3.043 0.016 . 1 . . . . 144 Y HB2 . 15394 1 307 . 1 1 54 54 TYR HD1 H 1 7.080 0.008 . 3 . . . . 144 Y HD1 . 15394 1 308 . 1 1 54 54 TYR CA C 13 61.755 0.182 . 1 . . . . 144 Y CA . 15394 1 309 . 1 1 54 54 TYR CB C 13 37.613 0.025 . 1 . . . . 144 Y CB . 15394 1 310 . 1 1 54 54 TYR N N 15 120.110 0.055 . 1 . . . . 144 Y N . 15394 1 311 . 1 1 55 55 GLU H H 1 8.317 0.007 . 1 . . . . 145 E HN . 15394 1 312 . 1 1 55 55 GLU HA H 1 3.530 0.017 . 1 . . . . 145 E HA . 15394 1 313 . 1 1 55 55 GLU HB2 H 1 1.884 0.013 . 1 . . . . 145 E HB1 . 15394 1 314 . 1 1 55 55 GLU HB3 H 1 1.383 0.013 . 1 . . . . 145 E HB2 . 15394 1 315 . 1 1 55 55 GLU HG2 H 1 2.469 0.018 . 1 . . . . 145 E HG1 . 15394 1 316 . 1 1 55 55 GLU HG3 H 1 1.843 0.007 . 1 . . . . 145 E HG2 . 15394 1 317 . 1 1 55 55 GLU CA C 13 59.786 0.013 . 1 . . . . 145 E CA . 15394 1 318 . 1 1 55 55 GLU CB C 13 29.537 0.177 . 1 . . . . 145 E CB . 15394 1 319 . 1 1 55 55 GLU CG C 13 37.956 0.278 . 1 . . . . 145 E CG . 15394 1 320 . 1 1 55 55 GLU N N 15 119.541 0.079 . 1 . . . . 145 E N . 15394 1 321 . 1 1 56 56 ASP H H 1 8.043 0.006 . 1 . . . . 146 D HN . 15394 1 322 . 1 1 56 56 ASP HA H 1 4.669 0.021 . 1 . . . . 146 D HA . 15394 1 323 . 1 1 56 56 ASP HB2 H 1 2.924 0.020 . 1 . . . . 146 D HB1 . 15394 1 324 . 1 1 56 56 ASP HB3 H 1 2.722 0.005 . 1 . . . . 146 D HB2 . 15394 1 325 . 1 1 56 56 ASP CA C 13 58.581 0.067 . 1 . . . . 146 D CA . 15394 1 326 . 1 1 56 56 ASP CB C 13 41.150 0.183 . 1 . . . . 146 D CB . 15394 1 327 . 1 1 56 56 ASP N N 15 118.238 0.051 . 1 . . . . 146 D N . 15394 1 328 . 1 1 57 57 ARG H H 1 8.065 0.005 . 1 . . . . 147 R HN . 15394 1 329 . 1 1 57 57 ARG HA H 1 3.999 0.009 . 1 . . . . 147 R HA . 15394 1 330 . 1 1 57 57 ARG HB2 H 1 1.920 0.006 . 2 . . . . 147 R HB1 . 15394 1 331 . 1 1 57 57 ARG HD2 H 1 3.197 0.015 . 2 . . . . 147 R HD1 . 15394 1 332 . 1 1 57 57 ARG HG2 H 1 1.736 0.011 . 1 . . . . 147 R HG1 . 15394 1 333 . 1 1 57 57 ARG HG3 H 1 1.541 0.034 . 1 . . . . 147 R HG2 . 15394 1 334 . 1 1 57 57 ARG CA C 13 59.497 0.034 . 1 . . . . 147 R CA . 15394 1 335 . 1 1 57 57 ARG CB C 13 29.720 0.001 . 1 . . . . 147 R CB . 15394 1 336 . 1 1 57 57 ARG CG C 13 27.690 0.000 . 1 . . . . 147 R CG . 15394 1 337 . 1 1 57 57 ARG N N 15 120.033 0.105 . 1 . . . . 147 R N . 15394 1 338 . 1 1 58 58 TYR H H 1 8.441 0.005 . 1 . . . . 148 Y HN . 15394 1 339 . 1 1 58 58 TYR HA H 1 3.843 0.012 . 1 . . . . 148 Y HA . 15394 1 340 . 1 1 58 58 TYR HB2 H 1 2.748 0.017 . 1 . . . . 148 Y HB1 . 15394 1 341 . 1 1 58 58 TYR HB3 H 1 2.568 0.024 . 1 . . . . 148 Y HB2 . 15394 1 342 . 1 1 58 58 TYR HD1 H 1 6.854 0.011 . 3 . . . . 148 Y HD# . 15394 1 343 . 1 1 58 58 TYR HD2 H 1 6.854 0.011 . 3 . . . . 148 Y HD# . 15394 1 344 . 1 1 58 58 TYR HE1 H 1 6.893 0.016 . 3 . . . . 148 Y HE1 . 15394 1 345 . 1 1 58 58 TYR CA C 13 62.005 0.044 . 1 . . . . 148 Y CA . 15394 1 346 . 1 1 58 58 TYR CB C 13 38.563 0.043 . 1 . . . . 148 Y CB . 15394 1 347 . 1 1 58 58 TYR N N 15 121.153 0.044 . 1 . . . . 148 Y N . 15394 1 348 . 1 1 59 59 TYR H H 1 8.824 0.005 . 1 . . . . 149 Y HN . 15394 1 349 . 1 1 59 59 TYR HA H 1 4.276 0.020 . 1 . . . . 149 Y HA . 15394 1 350 . 1 1 59 59 TYR HB2 H 1 3.226 0.009 . 2 . . . . 149 Y HB1 . 15394 1 351 . 1 1 59 59 TYR HD1 H 1 6.868 0.035 . 3 . . . . 149 Y HD1 . 15394 1 352 . 1 1 59 59 TYR HE2 H 1 7.323 0.000 . 3 . . . . 149 Y HE2 . 15394 1 353 . 1 1 59 59 TYR CA C 13 61.341 0.136 . 1 . . . . 149 Y CA . 15394 1 354 . 1 1 59 59 TYR CB C 13 38.527 0.047 . 1 . . . . 149 Y CB . 15394 1 355 . 1 1 59 59 TYR N N 15 119.254 0.055 . 1 . . . . 149 Y N . 15394 1 356 . 1 1 60 60 ARG H H 1 7.636 0.006 . 1 . . . . 150 R HN . 15394 1 357 . 1 1 60 60 ARG HA H 1 3.527 0.009 . 1 . . . . 150 R HA . 15394 1 358 . 1 1 60 60 ARG HB2 H 1 1.932 0.013 . 2 . . . . 150 R HB1 . 15394 1 359 . 1 1 60 60 ARG HD2 H 1 3.259 0.000 . 2 . . . . 150 R HD1 . 15394 1 360 . 1 1 60 60 ARG HG2 H 1 1.671 0.015 . 1 . . . . 150 R HG2 . 15394 1 361 . 1 1 60 60 ARG CA C 13 59.780 0.048 . 1 . . . . 150 R CA . 15394 1 362 . 1 1 60 60 ARG CB C 13 29.548 0.026 . 1 . . . . 150 R CB . 15394 1 363 . 1 1 60 60 ARG CD C 13 43.440 0.000 . 1 . . . . 150 R CD . 15394 1 364 . 1 1 60 60 ARG CG C 13 28.173 0.000 . 1 . . . . 150 R CG . 15394 1 365 . 1 1 60 60 ARG N N 15 116.633 0.040 . 1 . . . . 150 R N . 15394 1 366 . 1 1 61 61 GLU H H 1 7.950 0.006 . 1 . . . . 151 E HN . 15394 1 367 . 1 1 61 61 GLU HA H 1 4.058 0.017 . 1 . . . . 151 E HA . 15394 1 368 . 1 1 61 61 GLU HB2 H 1 1.959 0.014 . 1 . . . . 151 E HB1 . 15394 1 369 . 1 1 61 61 GLU HB3 H 1 1.827 0.003 . 1 . . . . 151 E HB2 . 15394 1 370 . 1 1 61 61 GLU HG2 H 1 2.296 0.031 . 1 . . . . 151 E HG1 . 15394 1 371 . 1 1 61 61 GLU HG3 H 1 2.344 0.002 . 1 . . . . 151 E HG2 . 15394 1 372 . 1 1 61 61 GLU CA C 13 57.826 0.248 . 1 . . . . 151 E CA . 15394 1 373 . 1 1 61 61 GLU CB C 13 30.277 0.326 . 1 . . . . 151 E CB . 15394 1 374 . 1 1 61 61 GLU CG C 13 36.181 0.069 . 1 . . . . 151 E CG . 15394 1 375 . 1 1 61 61 GLU N N 15 115.576 0.047 . 1 . . . . 151 E N . 15394 1 376 . 1 1 62 62 ASN H H 1 7.553 0.006 . 1 . . . . 152 N HN . 15394 1 377 . 1 1 62 62 ASN HA H 1 4.596 0.022 . 1 . . . . 152 N HA . 15394 1 378 . 1 1 62 62 ASN HB2 H 1 2.272 0.000 . 1 . . . . 152 N HB1 . 15394 1 379 . 1 1 62 62 ASN HB3 H 1 2.337 0.000 . 1 . . . . 152 N HB2 . 15394 1 380 . 1 1 62 62 ASN HD21 H 1 6.717 0.042 . 1 . . . . 152 N HD21 . 15394 1 381 . 1 1 62 62 ASN HD22 H 1 6.545 0.000 . 1 . . . . 152 N HD22 . 15394 1 382 . 1 1 62 62 ASN CA C 13 54.437 0.065 . 1 . . . . 152 N CA . 15394 1 383 . 1 1 62 62 ASN CB C 13 40.772 0.105 . 1 . . . . 152 N CB . 15394 1 384 . 1 1 62 62 ASN N N 15 115.294 0.037 . 1 . . . . 152 N N . 15394 1 385 . 1 1 63 63 MET H H 1 7.492 0.004 . 1 . . . . 153 M HN . 15394 1 386 . 1 1 63 63 MET HA H 1 3.675 0.009 . 1 . . . . 153 M HA . 15394 1 387 . 1 1 63 63 MET HB2 H 1 1.611 0.012 . 1 . . . . 153 M HB1 . 15394 1 388 . 1 1 63 63 MET HB3 H 1 1.796 0.007 . 1 . . . . 153 M HB2 . 15394 1 389 . 1 1 63 63 MET HE1 H 1 1.825 0.012 . 1 . . . . 153 M HE# . 15394 1 390 . 1 1 63 63 MET HE2 H 1 1.825 0.012 . 1 . . . . 153 M HE# . 15394 1 391 . 1 1 63 63 MET HE3 H 1 1.825 0.012 . 1 . . . . 153 M HE# . 15394 1 392 . 1 1 63 63 MET HG2 H 1 2.093 0.008 . 2 . . . . 153 M HG2 . 15394 1 393 . 1 1 63 63 MET CA C 13 59.799 0.052 . 1 . . . . 153 M CA . 15394 1 394 . 1 1 63 63 MET CB C 13 32.467 0.070 . 1 . . . . 153 M CB . 15394 1 395 . 1 1 63 63 MET CE C 13 16.672 0.090 . 1 . . . . 153 M CE . 15394 1 396 . 1 1 63 63 MET CG C 13 30.594 0.000 . 1 . . . . 153 M CG . 15394 1 397 . 1 1 63 63 MET N N 15 118.844 0.046 . 1 . . . . 153 M N . 15394 1 398 . 1 1 64 64 TYR H H 1 7.628 0.007 . 1 . . . . 154 Y HN . 15394 1 399 . 1 1 64 64 TYR HA H 1 4.227 0.012 . 1 . . . . 154 Y HA . 15394 1 400 . 1 1 64 64 TYR HB2 H 1 3.028 0.013 . 1 . . . . 154 Y HB1 . 15394 1 401 . 1 1 64 64 TYR HB3 H 1 2.960 0.001 . 1 . . . . 154 Y HB2 . 15394 1 402 . 1 1 64 64 TYR HD1 H 1 7.102 0.014 . 3 . . . . 154 Y HD1 . 15394 1 403 . 1 1 64 64 TYR HE1 H 1 6.933 0.012 . 1 . . . . 154 Y HE1 . 15394 1 404 . 1 1 64 64 TYR HE2 H 1 7.353 0.012 . 1 . . . . 154 Y HE2 . 15394 1 405 . 1 1 64 64 TYR CA C 13 59.173 0.015 . 1 . . . . 154 Y CA . 15394 1 406 . 1 1 64 64 TYR CB C 13 36.420 0.052 . 1 . . . . 154 Y CB . 15394 1 407 . 1 1 64 64 TYR N N 15 114.481 0.030 . 1 . . . . 154 Y N . 15394 1 408 . 1 1 65 65 ARG H H 1 7.602 0.004 . 1 . . . . 155 R HN . 15394 1 409 . 1 1 65 65 ARG HA H 1 4.014 0.016 . 1 . . . . 155 R HA . 15394 1 410 . 1 1 65 65 ARG HB2 H 1 1.777 0.002 . 1 . . . . 155 R HB1 . 15394 1 411 . 1 1 65 65 ARG HB3 H 1 1.986 0.002 . 1 . . . . 155 R HB2 . 15394 1 412 . 1 1 65 65 ARG HD2 H 1 3.179 0.016 . 1 . . . . 155 R HD1 . 15394 1 413 . 1 1 65 65 ARG HD3 H 1 3.107 0.038 . 1 . . . . 155 R HD2 . 15394 1 414 . 1 1 65 65 ARG HE H 1 6.882 0.004 . 1 . . . . 155 R HE . 15394 1 415 . 1 1 65 65 ARG HG2 H 1 1.395 0.003 . 1 . . . . 155 R HG1 . 15394 1 416 . 1 1 65 65 ARG HG3 H 1 1.321 0.013 . 1 . . . . 155 R HG2 . 15394 1 417 . 1 1 65 65 ARG CA C 13 56.664 0.049 . 1 . . . . 155 R CA . 15394 1 418 . 1 1 65 65 ARG CB C 13 30.737 0.007 . 1 . . . . 155 R CB . 15394 1 419 . 1 1 65 65 ARG CD C 13 44.180 0.043 . 1 . . . . 155 R CD . 15394 1 420 . 1 1 65 65 ARG CG C 13 27.162 0.159 . 1 . . . . 155 R CG . 15394 1 421 . 1 1 65 65 ARG N N 15 118.696 0.043 . 1 . . . . 155 R N . 15394 1 422 . 1 1 66 66 TYR H H 1 7.320 0.008 . 1 . . . . 156 Y HN . 15394 1 423 . 1 1 66 66 TYR HA H 1 4.978 0.017 . 1 . . . . 156 Y HA . 15394 1 424 . 1 1 66 66 TYR HB2 H 1 3.183 0.002 . 1 . . . . 156 Y HB1 . 15394 1 425 . 1 1 66 66 TYR HB3 H 1 2.970 0.015 . 1 . . . . 156 Y HB2 . 15394 1 426 . 1 1 66 66 TYR HD1 H 1 7.033 0.025 . 1 . . . . 156 Y HD1 . 15394 1 427 . 1 1 66 66 TYR HD2 H 1 7.316 0.000 . 1 . . . . 156 Y HD2 . 15394 1 428 . 1 1 66 66 TYR CA C 13 53.672 0.203 . 1 . . . . 156 Y CA . 15394 1 429 . 1 1 66 66 TYR CB C 13 38.310 0.044 . 1 . . . . 156 Y CB . 15394 1 430 . 1 1 66 66 TYR N N 15 119.564 0.063 . 1 . . . . 156 Y N . 15394 1 431 . 1 1 67 67 PRO HA H 1 4.401 0.019 . 1 . . . . 157 P HA . 15394 1 432 . 1 1 67 67 PRO HB2 H 1 2.376 0.003 . 1 . . . . 157 P HB1 . 15394 1 433 . 1 1 67 67 PRO HB3 H 1 1.714 0.011 . 1 . . . . 157 P HB2 . 15394 1 434 . 1 1 67 67 PRO HD2 H 1 3.547 0.038 . 1 . . . . 157 P HD1 . 15394 1 435 . 1 1 67 67 PRO HD3 H 1 3.829 0.006 . 1 . . . . 157 P HD2 . 15394 1 436 . 1 1 67 67 PRO HG2 H 1 1.754 0.023 . 1 . . . . 157 P HG1 . 15394 1 437 . 1 1 67 67 PRO HG3 H 1 2.018 0.005 . 1 . . . . 157 P HG2 . 15394 1 438 . 1 1 67 67 PRO CA C 13 63.459 0.041 . 1 . . . . 157 P CA . 15394 1 439 . 1 1 67 67 PRO CB C 13 32.387 0.065 . 1 . . . . 157 P CB . 15394 1 440 . 1 1 67 67 PRO CD C 13 50.668 0.176 . 1 . . . . 157 P CD . 15394 1 441 . 1 1 67 67 PRO CG C 13 27.392 0.075 . 1 . . . . 157 P CG . 15394 1 442 . 1 1 68 68 ASN H H 1 8.473 0.005 . 1 . . . . 158 N HN . 15394 1 443 . 1 1 68 68 ASN HA H 1 4.720 0.017 . 1 . . . . 158 N HA . 15394 1 444 . 1 1 68 68 ASN HB2 H 1 2.426 0.008 . 1 . . . . 158 N HB1 . 15394 1 445 . 1 1 68 68 ASN HB3 H 1 3.646 0.011 . 1 . . . . 158 N HB2 . 15394 1 446 . 1 1 68 68 ASN CA C 13 51.835 0.121 . 1 . . . . 158 N CA . 15394 1 447 . 1 1 68 68 ASN CB C 13 38.273 0.055 . 1 . . . . 158 N CB . 15394 1 448 . 1 1 68 68 ASN N N 15 115.721 0.057 . 1 . . . . 158 N N . 15394 1 449 . 1 1 69 69 GLN H H 1 7.188 0.007 . 1 . . . . 159 Q HN . 15394 1 450 . 1 1 69 69 GLN HA H 1 4.585 0.016 . 1 . . . . 159 Q HA . 15394 1 451 . 1 1 69 69 GLN HB2 H 1 2.010 0.013 . 1 . . . . 159 Q HB1 . 15394 1 452 . 1 1 69 69 GLN HB3 H 1 2.135 0.015 . 1 . . . . 159 Q HB2 . 15394 1 453 . 1 1 69 69 GLN HE21 H 1 6.763 0.000 . 2 . . . . 159 Q HE21 . 15394 1 454 . 1 1 69 69 GLN HG2 H 1 2.375 0.021 . 2 . . . . 159 Q HG# . 15394 1 455 . 1 1 69 69 GLN HG3 H 1 2.375 0.021 . 2 . . . . 159 Q HG# . 15394 1 456 . 1 1 69 69 GLN CA C 13 54.195 0.052 . 1 . . . . 159 Q CA . 15394 1 457 . 1 1 69 69 GLN CB C 13 34.185 0.104 . 1 . . . . 159 Q CB . 15394 1 458 . 1 1 69 69 GLN N N 15 114.047 0.045 . 1 . . . . 159 Q N . 15394 1 459 . 1 1 70 70 VAL H H 1 8.521 0.008 . 1 . . . . 160 V HN . 15394 1 460 . 1 1 70 70 VAL HA H 1 4.924 0.011 . 1 . . . . 160 V HA . 15394 1 461 . 1 1 70 70 VAL HB H 1 2.608 0.004 . 1 . . . . 160 V HB . 15394 1 462 . 1 1 70 70 VAL HG11 H 1 0.942 0.010 . 1 . . . . 160 V HG1# . 15394 1 463 . 1 1 70 70 VAL HG12 H 1 0.942 0.010 . 1 . . . . 160 V HG1# . 15394 1 464 . 1 1 70 70 VAL HG13 H 1 0.942 0.010 . 1 . . . . 160 V HG1# . 15394 1 465 . 1 1 70 70 VAL HG21 H 1 0.757 0.010 . 1 . . . . 160 V HG2# . 15394 1 466 . 1 1 70 70 VAL HG22 H 1 0.757 0.010 . 1 . . . . 160 V HG2# . 15394 1 467 . 1 1 70 70 VAL HG23 H 1 0.757 0.010 . 1 . . . . 160 V HG2# . 15394 1 468 . 1 1 70 70 VAL CA C 13 58.585 0.067 . 1 . . . . 160 V CA . 15394 1 469 . 1 1 70 70 VAL CB C 13 33.800 0.060 . 1 . . . . 160 V CB . 15394 1 470 . 1 1 70 70 VAL CG1 C 13 23.415 0.000 . 1 . . . . 160 V CG1 . 15394 1 471 . 1 1 70 70 VAL CG2 C 13 18.505 0.065 . 1 . . . . 160 V CG2 . 15394 1 472 . 1 1 70 70 VAL N N 15 112.854 0.074 . 1 . . . . 160 V N . 15394 1 473 . 1 1 71 71 TYR H H 1 8.423 0.008 . 1 . . . . 161 Y HN . 15394 1 474 . 1 1 71 71 TYR HA H 1 5.578 0.012 . 1 . . . . 161 Y HA . 15394 1 475 . 1 1 71 71 TYR HB2 H 1 2.584 0.013 . 1 . . . . 161 Y HB1 . 15394 1 476 . 1 1 71 71 TYR HB3 H 1 2.636 0.015 . 1 . . . . 161 Y HB2 . 15394 1 477 . 1 1 71 71 TYR HD1 H 1 6.913 0.021 . 1 . . . . 161 Y HD1 . 15394 1 478 . 1 1 71 71 TYR HD2 H 1 6.652 0.013 . 1 . . . . 161 Y HD2 . 15394 1 479 . 1 1 71 71 TYR HE1 H 1 6.330 0.014 . 1 . . . . 161 Y HE1 . 15394 1 480 . 1 1 71 71 TYR HE2 H 1 6.856 0.011 . 1 . . . . 161 Y HE2 . 15394 1 481 . 1 1 71 71 TYR CA C 13 57.105 0.212 . 1 . . . . 161 Y CA . 15394 1 482 . 1 1 71 71 TYR CB C 13 41.841 0.061 . 1 . . . . 161 Y CB . 15394 1 483 . 1 1 71 71 TYR N N 15 121.050 0.063 . 1 . . . . 161 Y N . 15394 1 484 . 1 1 72 72 TYR H H 1 8.594 0.008 . 1 . . . . 162 Y HN . 15394 1 485 . 1 1 72 72 TYR HA H 1 4.870 0.011 . 1 . . . . 162 Y HA . 15394 1 486 . 1 1 72 72 TYR HB2 H 1 2.858 0.008 . 1 . . . . 162 Y HB1 . 15394 1 487 . 1 1 72 72 TYR HB3 H 1 2.719 0.010 . 1 . . . . 162 Y HB2 . 15394 1 488 . 1 1 72 72 TYR HD1 H 1 7.181 0.013 . 3 . . . . 162 Y HD1 . 15394 1 489 . 1 1 72 72 TYR HE1 H 1 6.512 0.037 . 3 . . . . 162 Y HE1 . 15394 1 490 . 1 1 72 72 TYR CA C 13 56.020 0.043 . 1 . . . . 162 Y CA . 15394 1 491 . 1 1 72 72 TYR CB C 13 40.170 0.041 . 1 . . . . 162 Y CB . 15394 1 492 . 1 1 72 72 TYR N N 15 111.169 0.085 . 1 . . . . 162 Y N . 15394 1 493 . 1 1 73 73 ARG H H 1 7.940 0.007 . 1 . . . . 163 R HN . 15394 1 494 . 1 1 73 73 ARG HA H 1 4.634 0.020 . 1 . . . . 163 R HA . 15394 1 495 . 1 1 73 73 ARG HD2 H 1 3.011 0.022 . 2 . . . . 163 R HD2 . 15394 1 496 . 1 1 73 73 ARG HG2 H 1 1.663 0.000 . 2 . . . . 163 R HG1 . 15394 1 497 . 1 1 73 73 ARG CA C 13 54.184 0.030 . 1 . . . . 163 R CA . 15394 1 498 . 1 1 73 73 ARG N N 15 120.511 0.033 . 1 . . . . 163 R N . 15394 1 499 . 1 1 74 74 PRO HA H 1 4.599 0.014 . 1 . . . . 164 P HA . 15394 1 500 . 1 1 74 74 PRO HB2 H 1 1.990 0.009 . 1 . . . . 164 P HB1 . 15394 1 501 . 1 1 74 74 PRO HB3 H 1 2.499 0.007 . 1 . . . . 164 P HB2 . 15394 1 502 . 1 1 74 74 PRO HD2 H 1 3.426 0.012 . 1 . . . . 164 P HD1 . 15394 1 503 . 1 1 74 74 PRO HD3 H 1 3.652 0.019 . 1 . . . . 164 P HD2 . 15394 1 504 . 1 1 74 74 PRO HG2 H 1 2.062 0.018 . 2 . . . . 164 P HG# . 15394 1 505 . 1 1 74 74 PRO HG3 H 1 2.062 0.018 . 2 . . . . 164 P HG# . 15394 1 506 . 1 1 74 74 PRO CA C 13 63.530 0.027 . 1 . . . . 164 P CA . 15394 1 507 . 1 1 74 74 PRO CB C 13 32.730 0.029 . 1 . . . . 164 P CB . 15394 1 508 . 1 1 74 74 PRO CD C 13 50.243 0.189 . 1 . . . . 164 P CD . 15394 1 509 . 1 1 75 75 VAL H H 1 8.578 0.003 . 1 . . . . 165 V HN . 15394 1 510 . 1 1 75 75 VAL HA H 1 4.308 0.009 . 1 . . . . 165 V HA . 15394 1 511 . 1 1 75 75 VAL HB H 1 2.112 0.016 . 1 . . . . 165 V HB . 15394 1 512 . 1 1 75 75 VAL HG11 H 1 0.850 0.011 . 1 . . . . 165 V HG1# . 15394 1 513 . 1 1 75 75 VAL HG12 H 1 0.850 0.011 . 1 . . . . 165 V HG1# . 15394 1 514 . 1 1 75 75 VAL HG13 H 1 0.850 0.011 . 1 . . . . 165 V HG1# . 15394 1 515 . 1 1 75 75 VAL HG21 H 1 0.860 0.007 . 1 . . . . 165 V HG2# . 15394 1 516 . 1 1 75 75 VAL HG22 H 1 0.860 0.007 . 1 . . . . 165 V HG2# . 15394 1 517 . 1 1 75 75 VAL HG23 H 1 0.860 0.007 . 1 . . . . 165 V HG2# . 15394 1 518 . 1 1 75 75 VAL CA C 13 65.614 0.079 . 1 . . . . 165 V CA . 15394 1 519 . 1 1 75 75 VAL CB C 13 32.382 0.122 . 1 . . . . 165 V CB . 15394 1 520 . 1 1 75 75 VAL CG1 C 13 21.270 0.055 . 1 . . . . 165 V CG1 . 15394 1 521 . 1 1 75 75 VAL CG2 C 13 21.806 0.040 . 1 . . . . 165 V CG2 . 15394 1 522 . 1 1 75 75 VAL N N 15 118.423 0.036 . 1 . . . . 165 V N . 15394 1 523 . 1 1 76 76 ASP H H 1 8.298 0.007 . 1 . . . . 166 D HN . 15394 1 524 . 1 1 76 76 ASP HA H 1 4.610 0.007 . 1 . . . . 166 D HA . 15394 1 525 . 1 1 76 76 ASP HB2 H 1 2.904 0.011 . 1 . . . . 166 D HB1 . 15394 1 526 . 1 1 76 76 ASP HB3 H 1 2.693 0.011 . 1 . . . . 166 D HB2 . 15394 1 527 . 1 1 76 76 ASP CA C 13 54.527 0.046 . 1 . . . . 166 D CA . 15394 1 528 . 1 1 76 76 ASP CB C 13 39.877 0.055 . 1 . . . . 166 D CB . 15394 1 529 . 1 1 76 76 ASP N N 15 117.497 0.055 . 1 . . . . 166 D N . 15394 1 530 . 1 1 77 77 GLN H H 1 8.254 0.005 . 1 . . . . 167 Q HN . 15394 1 531 . 1 1 77 77 GLN HA H 1 4.110 0.007 . 1 . . . . 167 Q HA . 15394 1 532 . 1 1 77 77 GLN HB2 H 1 1.886 0.019 . 1 . . . . 167 Q HB1 . 15394 1 533 . 1 1 77 77 GLN HB3 H 1 1.725 0.016 . 1 . . . . 167 Q HB2 . 15394 1 534 . 1 1 77 77 GLN HG2 H 1 2.215 0.004 . 1 . . . . 167 Q HG1 . 15394 1 535 . 1 1 77 77 GLN HG3 H 1 2.201 0.013 . 1 . . . . 167 Q HG2 . 15394 1 536 . 1 1 77 77 GLN CA C 13 55.884 0.070 . 1 . . . . 167 Q CA . 15394 1 537 . 1 1 77 77 GLN CB C 13 27.466 0.051 . 1 . . . . 167 Q CB . 15394 1 538 . 1 1 77 77 GLN CG C 13 34.205 0.022 . 1 . . . . 167 Q CG . 15394 1 539 . 1 1 77 77 GLN N N 15 117.402 0.037 . 1 . . . . 167 Q N . 15394 1 540 . 1 1 78 78 TYR H H 1 7.889 0.006 . 1 . . . . 168 Y HN . 15394 1 541 . 1 1 78 78 TYR HA H 1 4.943 0.015 . 1 . . . . 168 Y HA . 15394 1 542 . 1 1 78 78 TYR HB2 H 1 3.309 0.011 . 1 . . . . 168 Y HB1 . 15394 1 543 . 1 1 78 78 TYR HB3 H 1 3.041 0.024 . 1 . . . . 168 Y HB2 . 15394 1 544 . 1 1 78 78 TYR HD1 H 1 7.328 0.009 . 3 . . . . 168 Y HD1 . 15394 1 545 . 1 1 78 78 TYR CA C 13 56.965 0.049 . 1 . . . . 168 Y CA . 15394 1 546 . 1 1 78 78 TYR CB C 13 42.310 0.068 . 1 . . . . 168 Y CB . 15394 1 547 . 1 1 78 78 TYR N N 15 117.023 0.042 . 1 . . . . 168 Y N . 15394 1 548 . 1 1 79 79 SER H H 1 9.153 0.007 . 1 . . . . 169 S HN . 15394 1 549 . 1 1 79 79 SER HA H 1 4.540 0.012 . 1 . . . . 169 S HA . 15394 1 550 . 1 1 79 79 SER HB2 H 1 3.984 0.014 . 2 . . . . 169 S HB# . 15394 1 551 . 1 1 79 79 SER HB3 H 1 3.984 0.014 . 2 . . . . 169 S HB# . 15394 1 552 . 1 1 79 79 SER CA C 13 59.113 0.125 . 1 . . . . 169 S CA . 15394 1 553 . 1 1 79 79 SER CB C 13 64.062 0.023 . 1 . . . . 169 S CB . 15394 1 554 . 1 1 79 79 SER N N 15 115.122 0.050 . 1 . . . . 169 S N . 15394 1 555 . 1 1 80 80 ASN H H 1 7.611 0.011 . 1 . . . . 170 N HN . 15394 1 556 . 1 1 80 80 ASN HA H 1 4.751 0.017 . 1 . . . . 170 N HA . 15394 1 557 . 1 1 80 80 ASN HB2 H 1 3.176 0.017 . 1 . . . . 170 N HB1 . 15394 1 558 . 1 1 80 80 ASN HB3 H 1 2.996 0.012 . 1 . . . . 170 N HB2 . 15394 1 559 . 1 1 80 80 ASN CA C 13 52.416 0.118 . 1 . . . . 170 N CA . 15394 1 560 . 1 1 80 80 ASN CB C 13 40.106 0.051 . 1 . . . . 170 N CB . 15394 1 561 . 1 1 80 80 ASN N N 15 114.507 0.037 . 1 . . . . 170 N N . 15394 1 562 . 1 1 81 81 GLN H H 1 8.584 0.005 . 1 . . . . 171 Q HN . 15394 1 563 . 1 1 81 81 GLN HA H 1 3.750 0.008 . 1 . . . . 171 Q HA . 15394 1 564 . 1 1 81 81 GLN HG2 H 1 2.478 0.006 . 1 . . . . 171 Q HG1 . 15394 1 565 . 1 1 81 81 GLN HG3 H 1 2.716 0.005 . 1 . . . . 171 Q HG2 . 15394 1 566 . 1 1 81 81 GLN CA C 13 58.943 0.059 . 1 . . . . 171 Q CA . 15394 1 567 . 1 1 81 81 GLN CB C 13 29.483 0.218 . 1 . . . . 171 Q CB . 15394 1 568 . 1 1 81 81 GLN CG C 13 33.672 0.050 . 1 . . . . 171 Q CG . 15394 1 569 . 1 1 81 81 GLN N N 15 119.651 0.033 . 1 . . . . 171 Q N . 15394 1 570 . 1 1 82 82 ASN H H 1 8.412 0.005 . 1 . . . . 172 N HN . 15394 1 571 . 1 1 82 82 ASN HA H 1 4.211 0.018 . 1 . . . . 172 N HA . 15394 1 572 . 1 1 82 82 ASN HB2 H 1 2.665 0.019 . 1 . . . . 172 N HB1 . 15394 1 573 . 1 1 82 82 ASN HB3 H 1 2.742 0.004 . 1 . . . . 172 N HB2 . 15394 1 574 . 1 1 82 82 ASN CA C 13 56.410 0.037 . 1 . . . . 172 N CA . 15394 1 575 . 1 1 82 82 ASN CB C 13 37.536 0.151 . 1 . . . . 172 N CB . 15394 1 576 . 1 1 82 82 ASN N N 15 117.522 0.064 . 1 . . . . 172 N N . 15394 1 577 . 1 1 83 83 ASN H H 1 8.570 0.008 . 1 . . . . 173 N HN . 15394 1 578 . 1 1 83 83 ASN HA H 1 4.571 0.010 . 1 . . . . 173 N HA . 15394 1 579 . 1 1 83 83 ASN HB2 H 1 3.218 0.009 . 1 . . . . 173 N HB1 . 15394 1 580 . 1 1 83 83 ASN HB3 H 1 2.932 0.004 . 1 . . . . 173 N HB2 . 15394 1 581 . 1 1 83 83 ASN CA C 13 56.075 0.048 . 1 . . . . 173 N CA . 15394 1 582 . 1 1 83 83 ASN CB C 13 38.254 0.087 . 1 . . . . 173 N CB . 15394 1 583 . 1 1 83 83 ASN N N 15 118.408 0.041 . 1 . . . . 173 N N . 15394 1 584 . 1 1 84 84 PHE H H 1 7.196 0.011 . 1 . . . . 174 F HN . 15394 1 585 . 1 1 84 84 PHE HB2 H 1 2.745 0.014 . 1 . . . . 174 F HB1 . 15394 1 586 . 1 1 84 84 PHE HB3 H 1 2.882 0.016 . 1 . . . . 174 F HB2 . 15394 1 587 . 1 1 84 84 PHE HE1 H 1 7.191 0.004 . 1 . . . . 174 F HE1 . 15394 1 588 . 1 1 84 84 PHE CA C 13 60.971 0.048 . 1 . . . . 174 F CA . 15394 1 589 . 1 1 84 84 PHE CB C 13 38.765 0.087 . 1 . . . . 174 F CB . 15394 1 590 . 1 1 84 84 PHE N N 15 121.739 0.058 . 1 . . . . 174 F N . 15394 1 591 . 1 1 85 85 VAL H H 1 8.884 0.011 . 1 . . . . 175 V HN . 15394 1 592 . 1 1 85 85 VAL HA H 1 3.409 0.020 . 1 . . . . 175 V HA . 15394 1 593 . 1 1 85 85 VAL HB H 1 2.194 0.011 . 1 . . . . 175 V HB . 15394 1 594 . 1 1 85 85 VAL HG11 H 1 1.044 0.010 . 1 . . . . 175 V HG1# . 15394 1 595 . 1 1 85 85 VAL HG12 H 1 1.044 0.010 . 1 . . . . 175 V HG1# . 15394 1 596 . 1 1 85 85 VAL HG13 H 1 1.044 0.010 . 1 . . . . 175 V HG1# . 15394 1 597 . 1 1 85 85 VAL HG21 H 1 1.057 0.014 . 1 . . . . 175 V HG2# . 15394 1 598 . 1 1 85 85 VAL HG22 H 1 1.057 0.014 . 1 . . . . 175 V HG2# . 15394 1 599 . 1 1 85 85 VAL HG23 H 1 1.057 0.014 . 1 . . . . 175 V HG2# . 15394 1 600 . 1 1 85 85 VAL CA C 13 67.541 0.046 . 1 . . . . 175 V CA . 15394 1 601 . 1 1 85 85 VAL CB C 13 32.000 0.004 . 1 . . . . 175 V CB . 15394 1 602 . 1 1 85 85 VAL CG1 C 13 22.154 0.061 . 1 . . . . 175 V CG1 . 15394 1 603 . 1 1 85 85 VAL CG2 C 13 24.687 0.056 . 1 . . . . 175 V CG2 . 15394 1 604 . 1 1 85 85 VAL N N 15 120.294 0.032 . 1 . . . . 175 V N . 15394 1 605 . 1 1 86 86 HIS H H 1 8.388 0.009 . 1 . . . . 176 H HN . 15394 1 606 . 1 1 86 86 HIS HA H 1 4.312 0.007 . 1 . . . . 176 H HA . 15394 1 607 . 1 1 86 86 HIS HB2 H 1 3.334 0.021 . 2 . . . . 176 H HB# . 15394 1 608 . 1 1 86 86 HIS HB3 H 1 3.334 0.021 . 2 . . . . 176 H HB# . 15394 1 609 . 1 1 86 86 HIS HE1 H 1 7.215 0.000 . 1 . . . . 176 H HE1 . 15394 1 610 . 1 1 86 86 HIS CA C 13 59.247 0.043 . 1 . . . . 176 H CA . 15394 1 611 . 1 1 86 86 HIS CB C 13 28.422 0.049 . 1 . . . . 176 H CB . 15394 1 612 . 1 1 86 86 HIS N N 15 116.512 0.050 . 1 . . . . 176 H N . 15394 1 613 . 1 1 87 87 ASP H H 1 7.397 0.011 . 1 . . . . 177 D HN . 15394 1 614 . 1 1 87 87 ASP HA H 1 4.570 0.012 . 1 . . . . 177 D HA . 15394 1 615 . 1 1 87 87 ASP HB2 H 1 2.952 0.033 . 1 . . . . 177 D HB1 . 15394 1 616 . 1 1 87 87 ASP HB3 H 1 3.001 0.033 . 1 . . . . 177 D HB2 . 15394 1 617 . 1 1 87 87 ASP CA C 13 57.270 0.039 . 1 . . . . 177 D CA . 15394 1 618 . 1 1 87 87 ASP CB C 13 41.323 0.155 . 1 . . . . 177 D CB . 15394 1 619 . 1 1 87 87 ASP N N 15 118.488 0.041 . 1 . . . . 177 D N . 15394 1 620 . 1 1 88 88 CYS H H 1 8.114 0.009 . 1 . . . . 178 C HN . 15394 1 621 . 1 1 88 88 CYS HA H 1 4.686 0.024 . 1 . . . . 178 C HA . 15394 1 622 . 1 1 88 88 CYS HB2 H 1 3.248 0.013 . 1 . . . . 178 C HB1 . 15394 1 623 . 1 1 88 88 CYS HB3 H 1 3.061 0.007 . 1 . . . . 178 C HB2 . 15394 1 624 . 1 1 88 88 CYS CA C 13 58.693 0.107 . 1 . . . . 178 C CA . 15394 1 625 . 1 1 88 88 CYS CB C 13 41.067 0.064 . 1 . . . . 178 C CB . 15394 1 626 . 1 1 88 88 CYS N N 15 119.324 0.056 . 1 . . . . 178 C N . 15394 1 627 . 1 1 89 89 VAL H H 1 9.207 0.005 . 1 . . . . 179 V HN . 15394 1 628 . 1 1 89 89 VAL HA H 1 3.661 0.017 . 1 . . . . 179 V HA . 15394 1 629 . 1 1 89 89 VAL HB H 1 2.149 0.011 . 1 . . . . 179 V HB . 15394 1 630 . 1 1 89 89 VAL HG11 H 1 1.063 0.015 . 1 . . . . 179 V HG1# . 15394 1 631 . 1 1 89 89 VAL HG12 H 1 1.063 0.015 . 1 . . . . 179 V HG1# . 15394 1 632 . 1 1 89 89 VAL HG13 H 1 1.063 0.015 . 1 . . . . 179 V HG1# . 15394 1 633 . 1 1 89 89 VAL HG21 H 1 0.953 0.008 . 1 . . . . 179 V HG2# . 15394 1 634 . 1 1 89 89 VAL HG22 H 1 0.953 0.008 . 1 . . . . 179 V HG2# . 15394 1 635 . 1 1 89 89 VAL HG23 H 1 0.953 0.008 . 1 . . . . 179 V HG2# . 15394 1 636 . 1 1 89 89 VAL CA C 13 66.155 0.110 . 1 . . . . 179 V CA . 15394 1 637 . 1 1 89 89 VAL CB C 13 31.818 0.065 . 1 . . . . 179 V CB . 15394 1 638 . 1 1 89 89 VAL CG1 C 13 23.423 0.033 . 1 . . . . 179 V CG1 . 15394 1 639 . 1 1 89 89 VAL CG2 C 13 21.244 0.097 . 1 . . . . 179 V CG2 . 15394 1 640 . 1 1 89 89 VAL N N 15 124.164 0.044 . 1 . . . . 179 V N . 15394 1 641 . 1 1 90 90 ASN H H 1 7.668 0.008 . 1 . . . . 180 N HN . 15394 1 642 . 1 1 90 90 ASN HA H 1 4.307 0.008 . 1 . . . . 180 N HA . 15394 1 643 . 1 1 90 90 ASN HB2 H 1 2.817 0.024 . 1 . . . . 180 N HB1 . 15394 1 644 . 1 1 90 90 ASN HB3 H 1 2.870 0.004 . 1 . . . . 180 N HB2 . 15394 1 645 . 1 1 90 90 ASN CA C 13 56.685 0.052 . 1 . . . . 180 N CA . 15394 1 646 . 1 1 90 90 ASN CB C 13 38.864 0.046 . 1 . . . . 180 N CB . 15394 1 647 . 1 1 90 90 ASN N N 15 116.623 0.046 . 1 . . . . 180 N N . 15394 1 648 . 1 1 91 91 ILE H H 1 8.649 0.009 . 1 . . . . 181 I HN . 15394 1 649 . 1 1 91 91 ILE HA H 1 3.766 0.019 . 1 . . . . 181 I HA . 15394 1 650 . 1 1 91 91 ILE HB H 1 1.608 0.022 . 1 . . . . 181 I HB . 15394 1 651 . 1 1 91 91 ILE HD11 H 1 0.416 0.014 . 1 . . . . 181 I HD1 . 15394 1 652 . 1 1 91 91 ILE HD12 H 1 0.416 0.014 . 1 . . . . 181 I HD1 . 15394 1 653 . 1 1 91 91 ILE HD13 H 1 0.416 0.014 . 1 . . . . 181 I HD1 . 15394 1 654 . 1 1 91 91 ILE HG12 H 1 0.826 0.015 . 1 . . . . 181 I HG11 . 15394 1 655 . 1 1 91 91 ILE HG13 H 1 0.988 0.015 . 1 . . . . 181 I HG12 . 15394 1 656 . 1 1 91 91 ILE HG21 H 1 0.247 0.012 . 1 . . . . 181 I HG2# . 15394 1 657 . 1 1 91 91 ILE HG22 H 1 0.247 0.012 . 1 . . . . 181 I HG2# . 15394 1 658 . 1 1 91 91 ILE HG23 H 1 0.247 0.012 . 1 . . . . 181 I HG2# . 15394 1 659 . 1 1 91 91 ILE CA C 13 62.054 0.056 . 1 . . . . 181 I CA . 15394 1 660 . 1 1 91 91 ILE CB C 13 36.465 0.071 . 1 . . . . 181 I CB . 15394 1 661 . 1 1 91 91 ILE CD1 C 13 10.981 0.027 . 1 . . . . 181 I CD1 . 15394 1 662 . 1 1 91 91 ILE CG1 C 13 27.518 0.085 . 1 . . . . 181 I CG1 . 15394 1 663 . 1 1 91 91 ILE CG2 C 13 18.449 0.060 . 1 . . . . 181 I CG2 . 15394 1 664 . 1 1 91 91 ILE N N 15 118.063 0.051 . 1 . . . . 181 I N . 15394 1 665 . 1 1 92 92 THR H H 1 8.097 0.003 . 1 . . . . 182 T HN . 15394 1 666 . 1 1 92 92 THR HA H 1 4.087 0.016 . 1 . . . . 182 T HA . 15394 1 667 . 1 1 92 92 THR HB H 1 4.495 0.018 . 1 . . . . 182 T HB . 15394 1 668 . 1 1 92 92 THR HG21 H 1 1.480 0.012 . 1 . . . . 182 T HG2# . 15394 1 669 . 1 1 92 92 THR HG22 H 1 1.480 0.012 . 1 . . . . 182 T HG2# . 15394 1 670 . 1 1 92 92 THR HG23 H 1 1.480 0.012 . 1 . . . . 182 T HG2# . 15394 1 671 . 1 1 92 92 THR CA C 13 68.575 0.117 . 1 . . . . 182 T CA . 15394 1 672 . 1 1 92 92 THR CB C 13 68.447 0.037 . 1 . . . . 182 T CB . 15394 1 673 . 1 1 92 92 THR CG2 C 13 22.227 0.024 . 1 . . . . 182 T CG2 . 15394 1 674 . 1 1 92 92 THR N N 15 118.121 0.033 . 1 . . . . 182 T N . 15394 1 675 . 1 1 93 93 VAL H H 1 8.804 0.006 . 1 . . . . 183 V HN . 15394 1 676 . 1 1 93 93 VAL HA H 1 3.617 0.018 . 1 . . . . 183 V HA . 15394 1 677 . 1 1 93 93 VAL HB H 1 2.285 0.013 . 1 . . . . 183 V HB . 15394 1 678 . 1 1 93 93 VAL HG11 H 1 1.017 0.021 . 1 . . . . 183 V HG1# . 15394 1 679 . 1 1 93 93 VAL HG12 H 1 1.017 0.021 . 1 . . . . 183 V HG1# . 15394 1 680 . 1 1 93 93 VAL HG13 H 1 1.017 0.021 . 1 . . . . 183 V HG1# . 15394 1 681 . 1 1 93 93 VAL HG21 H 1 0.935 0.022 . 1 . . . . 183 V HG2# . 15394 1 682 . 1 1 93 93 VAL HG22 H 1 0.935 0.022 . 1 . . . . 183 V HG2# . 15394 1 683 . 1 1 93 93 VAL HG23 H 1 0.935 0.022 . 1 . . . . 183 V HG2# . 15394 1 684 . 1 1 93 93 VAL CA C 13 67.793 0.052 . 1 . . . . 183 V CA . 15394 1 685 . 1 1 93 93 VAL CB C 13 31.418 0.032 . 1 . . . . 183 V CB . 15394 1 686 . 1 1 93 93 VAL CG1 C 13 23.429 0.052 . 1 . . . . 183 V CG1 . 15394 1 687 . 1 1 93 93 VAL CG2 C 13 20.960 0.078 . 1 . . . . 183 V CG2 . 15394 1 688 . 1 1 93 93 VAL N N 15 120.768 0.059 . 1 . . . . 183 V N . 15394 1 689 . 1 1 94 94 LYS H H 1 7.888 0.008 . 1 . . . . 184 K HN . 15394 1 690 . 1 1 94 94 LYS HA H 1 4.053 0.015 . 1 . . . . 184 K HA . 15394 1 691 . 1 1 94 94 LYS HB2 H 1 1.948 0.024 . 1 . . . . 184 K HB1 . 15394 1 692 . 1 1 94 94 LYS HB3 H 1 1.901 0.008 . 1 . . . . 184 K HB2 . 15394 1 693 . 1 1 94 94 LYS HD2 H 1 1.634 0.023 . 2 . . . . 184 K HD# . 15394 1 694 . 1 1 94 94 LYS HD3 H 1 1.634 0.023 . 2 . . . . 184 K HD# . 15394 1 695 . 1 1 94 94 LYS HE2 H 1 2.919 0.009 . 2 . . . . 184 K HE# . 15394 1 696 . 1 1 94 94 LYS HE3 H 1 2.919 0.009 . 2 . . . . 184 K HE# . 15394 1 697 . 1 1 94 94 LYS HG2 H 1 1.494 0.010 . 1 . . . . 184 K HG1 . 15394 1 698 . 1 1 94 94 LYS HG3 H 1 1.429 0.002 . 1 . . . . 184 K HG2 . 15394 1 699 . 1 1 94 94 LYS CA C 13 60.052 0.060 . 1 . . . . 184 K CA . 15394 1 700 . 1 1 94 94 LYS CB C 13 32.164 0.055 . 1 . . . . 184 K CB . 15394 1 701 . 1 1 94 94 LYS CD C 13 29.013 0.019 . 1 . . . . 184 K CD . 15394 1 702 . 1 1 94 94 LYS CE C 13 41.816 0.061 . 1 . . . . 184 K CE . 15394 1 703 . 1 1 94 94 LYS CG C 13 24.836 0.000 . 1 . . . . 184 K CG . 15394 1 704 . 1 1 94 94 LYS N N 15 121.424 0.070 . 1 . . . . 184 K N . 15394 1 705 . 1 1 95 95 GLN H H 1 8.339 0.019 . 1 . . . . 185 Q HN . 15394 1 706 . 1 1 95 95 GLN HA H 1 4.021 0.000 . 1 . . . . 185 Q HA . 15394 1 707 . 1 1 95 95 GLN HB2 H 1 2.127 0.008 . 2 . . . . 185 Q HB# . 15394 1 708 . 1 1 95 95 GLN HB3 H 1 2.127 0.016 . 2 . . . . 185 Q HB# . 15394 1 709 . 1 1 95 95 GLN HE22 H 1 6.806 0.003 . 2 . . . . 185 Q HE22 . 15394 1 710 . 1 1 95 95 GLN HG2 H 1 2.353 0.006 . 1 . . . . 185 Q HG1 . 15394 1 711 . 1 1 95 95 GLN HG3 H 1 2.555 0.000 . 1 . . . . 185 Q HG2 . 15394 1 712 . 1 1 95 95 GLN CB C 13 28.352 0.019 . 1 . . . . 185 Q CB . 15394 1 713 . 1 1 95 95 GLN N N 15 116.514 0.089 . 1 . . . . 185 Q N . 15394 1 714 . 1 1 96 96 HIS HA H 1 4.588 0.010 . 1 . . . . 186 H HA . 15394 1 715 . 1 1 96 96 HIS HB2 H 1 3.156 0.008 . 1 . . . . 186 H HB1 . 15394 1 716 . 1 1 96 96 HIS HB3 H 1 3.400 0.016 . 1 . . . . 186 H HB2 . 15394 1 717 . 1 1 96 96 HIS HE1 H 1 7.854 0.000 . 1 . . . . 186 H HE1 . 15394 1 718 . 1 1 96 96 HIS CA C 13 59.630 0.330 . 1 . . . . 186 H CA . 15394 1 719 . 1 1 96 96 HIS CB C 13 31.380 0.237 . 1 . . . . 186 H CB . 15394 1 720 . 1 1 97 97 THR H H 1 8.126 0.018 . 1 . . . . 187 T HN . 15394 1 721 . 1 1 97 97 THR HA H 1 4.191 0.040 . 1 . . . . 187 T HA . 15394 1 722 . 1 1 97 97 THR HG21 H 1 1.297 0.014 . 1 . . . . 187 T HG2# . 15394 1 723 . 1 1 97 97 THR HG22 H 1 1.297 0.014 . 1 . . . . 187 T HG2# . 15394 1 724 . 1 1 97 97 THR HG23 H 1 1.297 0.014 . 1 . . . . 187 T HG2# . 15394 1 725 . 1 1 97 97 THR CA C 13 64.728 0.239 . 1 . . . . 187 T CA . 15394 1 726 . 1 1 97 97 THR CB C 13 69.034 0.146 . 1 . . . . 187 T CB . 15394 1 727 . 1 1 97 97 THR CG2 C 13 21.681 0.103 . 1 . . . . 187 T CG2 . 15394 1 728 . 1 1 97 97 THR N N 15 112.872 0.138 . 1 . . . . 187 T N . 15394 1 729 . 1 1 98 98 VAL H H 1 7.983 0.012 . 1 . . . . 188 V HN . 15394 1 730 . 1 1 98 98 VAL HA H 1 4.032 0.016 . 1 . . . . 188 V HA . 15394 1 731 . 1 1 98 98 VAL HB H 1 2.195 0.008 . 1 . . . . 188 V HB . 15394 1 732 . 1 1 98 98 VAL HG11 H 1 1.212 0.011 . 1 . . . . 188 V HG1# . 15394 1 733 . 1 1 98 98 VAL HG12 H 1 1.212 0.011 . 1 . . . . 188 V HG1# . 15394 1 734 . 1 1 98 98 VAL HG13 H 1 1.212 0.011 . 1 . . . . 188 V HG1# . 15394 1 735 . 1 1 98 98 VAL HG21 H 1 0.741 0.017 . 1 . . . . 188 V HG2# . 15394 1 736 . 1 1 98 98 VAL HG22 H 1 0.741 0.017 . 1 . . . . 188 V HG2# . 15394 1 737 . 1 1 98 98 VAL HG23 H 1 0.741 0.017 . 1 . . . . 188 V HG2# . 15394 1 738 . 1 1 98 98 VAL CA C 13 65.028 0.069 . 1 . . . . 188 V CA . 15394 1 739 . 1 1 98 98 VAL CB C 13 32.087 0.000 . 1 . . . . 188 V CB . 15394 1 740 . 1 1 98 98 VAL CG1 C 13 21.351 0.066 . 1 . . . . 188 V CG1 . 15394 1 741 . 1 1 98 98 VAL CG2 C 13 23.415 0.000 . 1 . . . . 188 V CG2 . 15394 1 742 . 1 1 98 98 VAL N N 15 122.052 0.069 . 1 . . . . 188 V N . 15394 1 743 . 1 1 99 99 THR H H 1 8.108 0.004 . 1 . . . . 189 T HN . 15394 1 744 . 1 1 99 99 THR HA H 1 4.214 0.000 . 1 . . . . 189 T HA . 15394 1 745 . 1 1 99 99 THR HB H 1 4.067 0.004 . 1 . . . . 189 T HB . 15394 1 746 . 1 1 99 99 THR HG21 H 1 1.250 0.000 . 1 . . . . 189 T HG2# . 15394 1 747 . 1 1 99 99 THR HG22 H 1 1.250 0.000 . 1 . . . . 189 T HG2# . 15394 1 748 . 1 1 99 99 THR HG23 H 1 1.250 0.000 . 1 . . . . 189 T HG2# . 15394 1 749 . 1 1 99 99 THR CA C 13 64.165 0.009 . 1 . . . . 189 T CA . 15394 1 750 . 1 1 99 99 THR CB C 13 69.393 0.000 . 1 . . . . 189 T CB . 15394 1 751 . 1 1 99 99 THR CG2 C 13 21.790 0.000 . 1 . . . . 189 T CG2 . 15394 1 752 . 1 1 99 99 THR N N 15 115.612 0.035 . 1 . . . . 189 T N . 15394 1 753 . 1 1 100 100 THR H H 1 7.996 0.009 . 1 . . . . 190 T HN . 15394 1 754 . 1 1 100 100 THR HA H 1 4.215 0.027 . 1 . . . . 190 T HA . 15394 1 755 . 1 1 100 100 THR HB H 1 4.369 0.011 . 1 . . . . 190 T HB . 15394 1 756 . 1 1 100 100 THR HG21 H 1 0.981 0.008 . 1 . . . . 190 T HG2# . 15394 1 757 . 1 1 100 100 THR HG22 H 1 0.981 0.008 . 1 . . . . 190 T HG2# . 15394 1 758 . 1 1 100 100 THR HG23 H 1 0.981 0.008 . 1 . . . . 190 T HG2# . 15394 1 759 . 1 1 100 100 THR CA C 13 64.038 0.016 . 1 . . . . 190 T CA . 15394 1 760 . 1 1 100 100 THR CB C 13 68.987 0.243 . 1 . . . . 190 T CB . 15394 1 761 . 1 1 100 100 THR CG2 C 13 21.509 0.000 . 1 . . . . 190 T CG2 . 15394 1 762 . 1 1 100 100 THR N N 15 115.036 0.033 . 1 . . . . 190 T N . 15394 1 763 . 1 1 101 101 THR H H 1 8.150 0.005 . 1 . . . . 191 T HN . 15394 1 764 . 1 1 101 101 THR HA H 1 4.379 0.017 . 1 . . . . 191 T HA . 15394 1 765 . 1 1 101 101 THR HB H 1 4.311 0.012 . 1 . . . . 191 T HB . 15394 1 766 . 1 1 101 101 THR HG21 H 1 1.321 0.028 . 1 . . . . 191 T HG2# . 15394 1 767 . 1 1 101 101 THR HG22 H 1 1.321 0.028 . 1 . . . . 191 T HG2# . 15394 1 768 . 1 1 101 101 THR HG23 H 1 1.321 0.028 . 1 . . . . 191 T HG2# . 15394 1 769 . 1 1 101 101 THR CA C 13 64.513 0.035 . 1 . . . . 191 T CA . 15394 1 770 . 1 1 101 101 THR CB C 13 69.327 0.037 . 1 . . . . 191 T CB . 15394 1 771 . 1 1 101 101 THR CG2 C 13 21.520 0.000 . 1 . . . . 191 T CG2 . 15394 1 772 . 1 1 101 101 THR N N 15 116.294 0.074 . 1 . . . . 191 T N . 15394 1 773 . 1 1 102 102 THR H H 1 7.989 0.004 . 1 . . . . 192 T HN . 15394 1 774 . 1 1 102 102 THR HA H 1 4.235 0.017 . 1 . . . . 192 T HA . 15394 1 775 . 1 1 102 102 THR HG21 H 1 1.249 0.004 . 1 . . . . 192 T HG2# . 15394 1 776 . 1 1 102 102 THR HG22 H 1 1.249 0.004 . 1 . . . . 192 T HG2# . 15394 1 777 . 1 1 102 102 THR HG23 H 1 1.249 0.004 . 1 . . . . 192 T HG2# . 15394 1 778 . 1 1 102 102 THR CA C 13 64.039 0.045 . 1 . . . . 192 T CA . 15394 1 779 . 1 1 102 102 THR CB C 13 69.274 0.095 . 1 . . . . 192 T CB . 15394 1 780 . 1 1 102 102 THR CG2 C 13 21.779 0.000 . 1 . . . . 192 T CG2 . 15394 1 781 . 1 1 102 102 THR N N 15 116.279 0.061 . 1 . . . . 192 T N . 15394 1 782 . 1 1 103 103 LYS H H 1 7.838 0.016 . 1 . . . . 193 K HN . 15394 1 783 . 1 1 103 103 LYS HA H 1 4.384 0.018 . 1 . . . . 193 K HA . 15394 1 784 . 1 1 103 103 LYS HB2 H 1 2.008 0.015 . 1 . . . . 193 K HB1 . 15394 1 785 . 1 1 103 103 LYS HB3 H 1 1.842 0.032 . 1 . . . . 193 K HB2 . 15394 1 786 . 1 1 103 103 LYS HD2 H 1 1.681 0.019 . 2 . . . . 193 K HD# . 15394 1 787 . 1 1 103 103 LYS HD3 H 1 1.681 0.019 . 2 . . . . 193 K HD# . 15394 1 788 . 1 1 103 103 LYS HE2 H 1 2.950 0.005 . 1 . . . . 193 K HE# . 15394 1 789 . 1 1 103 103 LYS HE3 H 1 2.950 0.005 . 1 . . . . 193 K HE# . 15394 1 790 . 1 1 103 103 LYS HG2 H 1 1.492 0.018 . 2 . . . . 193 K HG1 . 15394 1 791 . 1 1 103 103 LYS CA C 13 56.471 0.156 . 1 . . . . 193 K CA . 15394 1 792 . 1 1 103 103 LYS CB C 13 32.584 0.093 . 1 . . . . 193 K CB . 15394 1 793 . 1 1 103 103 LYS CD C 13 29.055 0.040 . 1 . . . . 193 K CD . 15394 1 794 . 1 1 103 103 LYS CE C 13 41.812 0.106 . 1 . . . . 193 K CE . 15394 1 795 . 1 1 103 103 LYS CG C 13 24.957 0.064 . 1 . . . . 193 K CG . 15394 1 796 . 1 1 103 103 LYS N N 15 121.006 0.054 . 1 . . . . 193 K N . 15394 1 797 . 1 1 104 104 GLY H H 1 8.087 0.011 . 1 . . . . 194 G HN . 15394 1 798 . 1 1 104 104 GLY HA2 H 1 4.069 0.014 . 1 . . . . 194 G HA1 . 15394 1 799 . 1 1 104 104 GLY HA3 H 1 3.820 0.013 . 1 . . . . 194 G HA2 . 15394 1 800 . 1 1 104 104 GLY CA C 13 45.490 0.020 . 1 . . . . 194 G CA . 15394 1 801 . 1 1 104 104 GLY N N 15 108.808 0.052 . 1 . . . . 194 G N . 15394 1 802 . 1 1 105 105 GLU H H 1 7.739 0.011 . 1 . . . . 195 E HN . 15394 1 803 . 1 1 105 105 GLU HA H 1 4.278 0.011 . 1 . . . . 195 E HA . 15394 1 804 . 1 1 105 105 GLU HB2 H 1 1.627 0.012 . 2 . . . . 195 E HB2 . 15394 1 805 . 1 1 105 105 GLU HG2 H 1 2.068 0.011 . 1 . . . . 195 E HG1 . 15394 1 806 . 1 1 105 105 GLU HG3 H 1 1.940 0.023 . 1 . . . . 195 E HG2 . 15394 1 807 . 1 1 105 105 GLU CA C 13 55.496 0.084 . 1 . . . . 195 E CA . 15394 1 808 . 1 1 105 105 GLU CB C 13 30.990 0.244 . 1 . . . . 195 E CB . 15394 1 809 . 1 1 105 105 GLU CG C 13 35.861 0.150 . 1 . . . . 195 E CG . 15394 1 810 . 1 1 105 105 GLU N N 15 119.963 0.023 . 1 . . . . 195 E N . 15394 1 811 . 1 1 106 106 ASN H H 1 8.434 0.005 . 1 . . . . 196 N HN . 15394 1 812 . 1 1 106 106 ASN HA H 1 4.709 0.020 . 1 . . . . 196 N HA . 15394 1 813 . 1 1 106 106 ASN HB2 H 1 2.625 0.022 . 1 . . . . 196 N HB1 . 15394 1 814 . 1 1 106 106 ASN HB3 H 1 2.565 0.079 . 1 . . . . 196 N HB2 . 15394 1 815 . 1 1 106 106 ASN CA C 13 53.894 0.016 . 1 . . . . 196 N CA . 15394 1 816 . 1 1 106 106 ASN CB C 13 40.861 0.001 . 1 . . . . 196 N CB . 15394 1 817 . 1 1 106 106 ASN N N 15 119.635 0.025 . 1 . . . . 196 N N . 15394 1 818 . 1 1 107 107 PHE H H 1 8.557 0.009 . 1 . . . . 197 F HN . 15394 1 819 . 1 1 107 107 PHE HA H 1 5.277 0.008 . 1 . . . . 197 F HA . 15394 1 820 . 1 1 107 107 PHE HB2 H 1 3.194 0.018 . 1 . . . . 197 F HB1 . 15394 1 821 . 1 1 107 107 PHE HB3 H 1 2.968 0.009 . 1 . . . . 197 F HB2 . 15394 1 822 . 1 1 107 107 PHE HD1 H 1 7.346 0.016 . 1 . . . . 197 F HD1 . 15394 1 823 . 1 1 107 107 PHE HD2 H 1 7.499 0.021 . 1 . . . . 197 F HD2 . 15394 1 824 . 1 1 107 107 PHE HE1 H 1 6.932 0.015 . 1 . . . . 197 F HE1 . 15394 1 825 . 1 1 107 107 PHE HE2 H 1 6.655 0.011 . 1 . . . . 197 F HE2 . 15394 1 826 . 1 1 107 107 PHE CA C 13 56.627 0.141 . 1 . . . . 197 F CA . 15394 1 827 . 1 1 107 107 PHE CB C 13 40.420 0.091 . 1 . . . . 197 F CB . 15394 1 828 . 1 1 107 107 PHE N N 15 121.831 0.111 . 1 . . . . 197 F N . 15394 1 829 . 1 1 108 108 THR H H 1 9.544 0.007 . 1 . . . . 198 T HN . 15394 1 830 . 1 1 108 108 THR HA H 1 4.627 0.019 . 1 . . . . 198 T HA . 15394 1 831 . 1 1 108 108 THR HB H 1 4.799 0.030 . 1 . . . . 198 T HB . 15394 1 832 . 1 1 108 108 THR HG21 H 1 1.422 0.011 . 1 . . . . 198 T HG2# . 15394 1 833 . 1 1 108 108 THR HG22 H 1 1.422 0.011 . 1 . . . . 198 T HG2# . 15394 1 834 . 1 1 108 108 THR HG23 H 1 1.422 0.011 . 1 . . . . 198 T HG2# . 15394 1 835 . 1 1 108 108 THR CA C 13 60.468 0.106 . 1 . . . . 198 T CA . 15394 1 836 . 1 1 108 108 THR CB C 13 72.135 0.069 . 1 . . . . 198 T CB . 15394 1 837 . 1 1 108 108 THR CG2 C 13 21.649 0.054 . 1 . . . . 198 T CG2 . 15394 1 838 . 1 1 108 108 THR N N 15 115.810 0.040 . 1 . . . . 198 T N . 15394 1 839 . 1 1 109 109 GLU H H 1 9.056 0.005 . 1 . . . . 199 E HN . 15394 1 840 . 1 1 109 109 GLU HA H 1 4.047 0.010 . 1 . . . . 199 E HA . 15394 1 841 . 1 1 109 109 GLU HB2 H 1 2.077 0.007 . 1 . . . . 199 E HB1 . 15394 1 842 . 1 1 109 109 GLU HB3 H 1 2.106 0.008 . 1 . . . . 199 E HB2 . 15394 1 843 . 1 1 109 109 GLU HG2 H 1 2.319 0.008 . 1 . . . . 199 E HG1 . 15394 1 844 . 1 1 109 109 GLU HG3 H 1 2.375 0.025 . 1 . . . . 199 E HG2 . 15394 1 845 . 1 1 109 109 GLU CA C 13 60.012 0.070 . 1 . . . . 199 E CA . 15394 1 846 . 1 1 109 109 GLU CB C 13 28.963 0.092 . 1 . . . . 199 E CB . 15394 1 847 . 1 1 109 109 GLU CG C 13 36.475 0.189 . 1 . . . . 199 E CG . 15394 1 848 . 1 1 109 109 GLU N N 15 119.649 0.021 . 1 . . . . 199 E N . 15394 1 849 . 1 1 110 110 THR H H 1 7.915 0.005 . 1 . . . . 200 T HN . 15394 1 850 . 1 1 110 110 THR HA H 1 3.763 0.016 . 1 . . . . 200 T HA . 15394 1 851 . 1 1 110 110 THR HB H 1 3.711 0.014 . 1 . . . . 200 T HB . 15394 1 852 . 1 1 110 110 THR HG21 H 1 0.633 0.004 . 1 . . . . 200 T HG2# . 15394 1 853 . 1 1 110 110 THR HG22 H 1 0.633 0.004 . 1 . . . . 200 T HG2# . 15394 1 854 . 1 1 110 110 THR HG23 H 1 0.633 0.004 . 1 . . . . 200 T HG2# . 15394 1 855 . 1 1 110 110 THR CA C 13 66.764 0.112 . 1 . . . . 200 T CA . 15394 1 856 . 1 1 110 110 THR CB C 13 68.664 0.149 . 1 . . . . 200 T CB . 15394 1 857 . 1 1 110 110 THR CG2 C 13 21.052 0.012 . 1 . . . . 200 T CG2 . 15394 1 858 . 1 1 110 110 THR N N 15 116.219 0.026 . 1 . . . . 200 T N . 15394 1 859 . 1 1 111 111 ASP H H 1 7.474 0.023 . 1 . . . . 201 D HN . 15394 1 860 . 1 1 111 111 ASP HA H 1 4.530 0.016 . 1 . . . . 201 D HA . 15394 1 861 . 1 1 111 111 ASP HB2 H 1 3.382 0.014 . 1 . . . . 201 D HB1 . 15394 1 862 . 1 1 111 111 ASP HB3 H 1 2.563 0.039 . 1 . . . . 201 D HB2 . 15394 1 863 . 1 1 111 111 ASP CA C 13 58.190 0.044 . 1 . . . . 201 D CA . 15394 1 864 . 1 1 111 111 ASP CB C 13 41.982 0.119 . 1 . . . . 201 D CB . 15394 1 865 . 1 1 111 111 ASP N N 15 119.473 0.027 . 1 . . . . 201 D N . 15394 1 866 . 1 1 112 112 ILE H H 1 8.076 0.005 . 1 . . . . 202 I HN . 15394 1 867 . 1 1 112 112 ILE HA H 1 3.429 0.010 . 1 . . . . 202 I HA . 15394 1 868 . 1 1 112 112 ILE HB H 1 1.923 0.012 . 1 . . . . 202 I HB . 15394 1 869 . 1 1 112 112 ILE HD11 H 1 0.722 0.013 . 1 . . . . 202 I HD1# . 15394 1 870 . 1 1 112 112 ILE HD12 H 1 0.722 0.013 . 1 . . . . 202 I HD1# . 15394 1 871 . 1 1 112 112 ILE HD13 H 1 0.722 0.013 . 1 . . . . 202 I HD1# . 15394 1 872 . 1 1 112 112 ILE HG12 H 1 1.539 0.016 . 1 . . . . 202 I HG11 . 15394 1 873 . 1 1 112 112 ILE HG13 H 1 1.281 0.019 . 1 . . . . 202 I HG12 . 15394 1 874 . 1 1 112 112 ILE HG21 H 1 0.839 0.010 . 1 . . . . 202 I HG2# . 15394 1 875 . 1 1 112 112 ILE HG22 H 1 0.839 0.010 . 1 . . . . 202 I HG2# . 15394 1 876 . 1 1 112 112 ILE HG23 H 1 0.839 0.010 . 1 . . . . 202 I HG2# . 15394 1 877 . 1 1 112 112 ILE CA C 13 64.568 0.145 . 1 . . . . 202 I CA . 15394 1 878 . 1 1 112 112 ILE CB C 13 37.366 0.156 . 1 . . . . 202 I CB . 15394 1 879 . 1 1 112 112 ILE CD1 C 13 11.326 0.010 . 1 . . . . 202 I CD1 . 15394 1 880 . 1 1 112 112 ILE CG1 C 13 28.410 0.038 . 1 . . . . 202 I CG1 . 15394 1 881 . 1 1 112 112 ILE CG2 C 13 17.228 0.009 . 1 . . . . 202 I CG2 . 15394 1 882 . 1 1 112 112 ILE N N 15 118.991 0.030 . 1 . . . . 202 I N . 15394 1 883 . 1 1 113 113 LYS H H 1 7.746 0.007 . 1 . . . . 203 K HN . 15394 1 884 . 1 1 113 113 LYS HA H 1 4.044 0.017 . 1 . . . . 203 K HA . 15394 1 885 . 1 1 113 113 LYS HB2 H 1 1.903 0.027 . 1 . . . . 203 K HB1 . 15394 1 886 . 1 1 113 113 LYS HB3 H 1 2.015 0.002 . 1 . . . . 203 K HB2 . 15394 1 887 . 1 1 113 113 LYS HD2 H 1 1.626 0.021 . 2 . . . . 203 K HD# . 15394 1 888 . 1 1 113 113 LYS HD3 H 1 1.626 0.021 . 2 . . . . 203 K HD# . 15394 1 889 . 1 1 113 113 LYS HE2 H 1 2.917 0.011 . 2 . . . . 203 K HE# . 15394 1 890 . 1 1 113 113 LYS HE3 H 1 2.917 0.011 . 2 . . . . 203 K HE# . 15394 1 891 . 1 1 113 113 LYS HG2 H 1 1.561 0.016 . 1 . . . . 203 K HG1 . 15394 1 892 . 1 1 113 113 LYS HG3 H 1 1.410 0.011 . 1 . . . . 203 K HG2 . 15394 1 893 . 1 1 113 113 LYS CA C 13 59.335 0.062 . 1 . . . . 203 K CA . 15394 1 894 . 1 1 113 113 LYS CB C 13 32.356 0.112 . 1 . . . . 203 K CB . 15394 1 895 . 1 1 113 113 LYS CD C 13 29.194 0.000 . 1 . . . . 203 K CD . 15394 1 896 . 1 1 113 113 LYS CE C 13 42.073 0.000 . 1 . . . . 203 K CE . 15394 1 897 . 1 1 113 113 LYS CG C 13 25.016 0.037 . 1 . . . . 203 K CG . 15394 1 898 . 1 1 113 113 LYS N N 15 119.513 0.036 . 1 . . . . 203 K N . 15394 1 899 . 1 1 114 114 ILE H H 1 7.979 0.006 . 1 . . . . 204 I HN . 15394 1 900 . 1 1 114 114 ILE HA H 1 3.621 0.014 . 1 . . . . 204 I HA . 15394 1 901 . 1 1 114 114 ILE HB H 1 1.933 0.010 . 1 . . . . 204 I HB . 15394 1 902 . 1 1 114 114 ILE HD11 H 1 0.648 0.017 . 1 . . . . 204 I HD1# . 15394 1 903 . 1 1 114 114 ILE HD12 H 1 0.648 0.017 . 1 . . . . 204 I HD1# . 15394 1 904 . 1 1 114 114 ILE HD13 H 1 0.648 0.017 . 1 . . . . 204 I HD1# . 15394 1 905 . 1 1 114 114 ILE HG12 H 1 1.555 0.008 . 1 . . . . 204 I HG11 . 15394 1 906 . 1 1 114 114 ILE HG13 H 1 0.818 0.005 . 1 . . . . 204 I HG12 . 15394 1 907 . 1 1 114 114 ILE HG21 H 1 0.794 0.017 . 1 . . . . 204 I HG2# . 15394 1 908 . 1 1 114 114 ILE HG22 H 1 0.794 0.017 . 1 . . . . 204 I HG2# . 15394 1 909 . 1 1 114 114 ILE HG23 H 1 0.794 0.017 . 1 . . . . 204 I HG2# . 15394 1 910 . 1 1 114 114 ILE CA C 13 64.793 0.112 . 1 . . . . 204 I CA . 15394 1 911 . 1 1 114 114 ILE CB C 13 37.410 0.186 . 1 . . . . 204 I CB . 15394 1 912 . 1 1 114 114 ILE CD1 C 13 13.532 0.013 . 1 . . . . 204 I CD1 . 15394 1 913 . 1 1 114 114 ILE CG1 C 13 28.667 0.079 . 1 . . . . 204 I CG1 . 15394 1 914 . 1 1 114 114 ILE CG2 C 13 18.639 0.078 . 1 . . . . 204 I CG2 . 15394 1 915 . 1 1 114 114 ILE N N 15 119.815 0.034 . 1 . . . . 204 I N . 15394 1 916 . 1 1 115 115 MET H H 1 8.817 0.005 . 1 . . . . 205 M HN . 15394 1 917 . 1 1 115 115 MET HA H 1 3.444 0.017 . 1 . . . . 205 M HA . 15394 1 918 . 1 1 115 115 MET HB2 H 1 1.977 0.014 . 1 . . . . 205 M HB1 . 15394 1 919 . 1 1 115 115 MET HB3 H 1 1.757 0.027 . 1 . . . . 205 M HB2 . 15394 1 920 . 1 1 115 115 MET HE1 H 1 1.498 0.011 . 1 . . . . 205 M HE# . 15394 1 921 . 1 1 115 115 MET HE2 H 1 1.498 0.011 . 1 . . . . 205 M HE# . 15394 1 922 . 1 1 115 115 MET HE3 H 1 1.498 0.011 . 1 . . . . 205 M HE# . 15394 1 923 . 1 1 115 115 MET HG2 H 1 2.083 0.004 . 1 . . . . 205 M HG1 . 15394 1 924 . 1 1 115 115 MET HG3 H 1 2.039 0.002 . 1 . . . . 205 M HG2 . 15394 1 925 . 1 1 115 115 MET CA C 13 60.101 0.019 . 1 . . . . 205 M CA . 15394 1 926 . 1 1 115 115 MET CB C 13 33.715 0.196 . 1 . . . . 205 M CB . 15394 1 927 . 1 1 115 115 MET CE C 13 16.230 0.064 . 1 . . . . 205 M CE . 15394 1 928 . 1 1 115 115 MET CG C 13 32.051 0.011 . 1 . . . . 205 M CG . 15394 1 929 . 1 1 115 115 MET N N 15 119.193 0.045 . 1 . . . . 205 M N . 15394 1 930 . 1 1 116 116 GLU H H 1 8.503 0.010 . 1 . . . . 206 E HN . 15394 1 931 . 1 1 116 116 GLU HA H 1 3.629 0.014 . 1 . . . . 206 E HA . 15394 1 932 . 1 1 116 116 GLU HB2 H 1 2.203 0.010 . 2 . . . . 206 E HB1 . 15394 1 933 . 1 1 116 116 GLU HG2 H 1 2.577 0.014 . 1 . . . . 206 E HG1 . 15394 1 934 . 1 1 116 116 GLU HG3 H 1 2.133 0.008 . 1 . . . . 206 E HG2 . 15394 1 935 . 1 1 116 116 GLU CA C 13 60.680 0.079 . 1 . . . . 206 E CA . 15394 1 936 . 1 1 116 116 GLU CB C 13 28.457 0.121 . 1 . . . . 206 E CB . 15394 1 937 . 1 1 116 116 GLU CG C 13 36.727 0.351 . 1 . . . . 206 E CG . 15394 1 938 . 1 1 116 116 GLU N N 15 117.055 0.025 . 1 . . . . 206 E N . 15394 1 939 . 1 1 117 117 ARG H H 1 7.215 0.004 . 1 . . . . 207 R HN . 15394 1 940 . 1 1 117 117 ARG HA H 1 4.162 0.016 . 1 . . . . 207 R HA . 15394 1 941 . 1 1 117 117 ARG HB2 H 1 1.897 0.016 . 2 . . . . 207 R HB1 . 15394 1 942 . 1 1 117 117 ARG HD2 H 1 3.203 0.025 . 1 . . . . 207 R HD1 . 15394 1 943 . 1 1 117 117 ARG HD3 H 1 3.140 0.004 . 1 . . . . 207 R HD2 . 15394 1 944 . 1 1 117 117 ARG HE H 1 7.327 0.004 . 1 . . . . 207 R HE . 15394 1 945 . 1 1 117 117 ARG HG2 H 1 1.790 0.001 . 1 . . . . 207 R HG1 . 15394 1 946 . 1 1 117 117 ARG HG3 H 1 1.708 0.014 . 1 . . . . 207 R HG2 . 15394 1 947 . 1 1 117 117 ARG CA C 13 58.572 0.033 . 1 . . . . 207 R CA . 15394 1 948 . 1 1 117 117 ARG CB C 13 30.117 0.041 . 1 . . . . 207 R CB . 15394 1 949 . 1 1 117 117 ARG CD C 13 42.955 0.061 . 1 . . . . 207 R CD . 15394 1 950 . 1 1 117 117 ARG CG C 13 26.942 0.080 . 1 . . . . 207 R CG . 15394 1 951 . 1 1 117 117 ARG N N 15 117.987 0.047 . 1 . . . . 207 R N . 15394 1 952 . 1 1 118 118 VAL H H 1 8.271 0.009 . 1 . . . . 208 V HN . 15394 1 953 . 1 1 118 118 VAL HA H 1 3.498 0.026 . 1 . . . . 208 V HA . 15394 1 954 . 1 1 118 118 VAL HB H 1 2.100 0.010 . 1 . . . . 208 V HB . 15394 1 955 . 1 1 118 118 VAL HG11 H 1 1.099 0.019 . 1 . . . . 208 V HG1# . 15394 1 956 . 1 1 118 118 VAL HG12 H 1 1.099 0.019 . 1 . . . . 208 V HG1# . 15394 1 957 . 1 1 118 118 VAL HG13 H 1 1.099 0.019 . 1 . . . . 208 V HG1# . 15394 1 958 . 1 1 118 118 VAL HG21 H 1 1.038 0.016 . 1 . . . . 208 V HG2# . 15394 1 959 . 1 1 118 118 VAL HG22 H 1 1.038 0.016 . 1 . . . . 208 V HG2# . 15394 1 960 . 1 1 118 118 VAL HG23 H 1 1.038 0.016 . 1 . . . . 208 V HG2# . 15394 1 961 . 1 1 118 118 VAL CA C 13 66.299 0.071 . 1 . . . . 208 V CA . 15394 1 962 . 1 1 118 118 VAL CB C 13 32.559 0.046 . 1 . . . . 208 V CB . 15394 1 963 . 1 1 118 118 VAL CG1 C 13 21.285 0.045 . 1 . . . . 208 V CG1 . 15394 1 964 . 1 1 118 118 VAL CG2 C 13 23.433 0.062 . 1 . . . . 208 V CG2 . 15394 1 965 . 1 1 118 118 VAL N N 15 120.338 0.060 . 1 . . . . 208 V N . 15394 1 966 . 1 1 119 119 VAL H H 1 8.988 0.008 . 1 . . . . 209 V HN . 15394 1 967 . 1 1 119 119 VAL HA H 1 3.625 0.020 . 1 . . . . 209 V HA . 15394 1 968 . 1 1 119 119 VAL HB H 1 2.170 0.017 . 1 . . . . 209 V HB . 15394 1 969 . 1 1 119 119 VAL HG11 H 1 0.952 0.015 . 1 . . . . 209 V HG1# . 15394 1 970 . 1 1 119 119 VAL HG12 H 1 0.952 0.015 . 1 . . . . 209 V HG1# . 15394 1 971 . 1 1 119 119 VAL HG13 H 1 0.952 0.015 . 1 . . . . 209 V HG1# . 15394 1 972 . 1 1 119 119 VAL HG21 H 1 1.207 0.021 . 1 . . . . 209 V HG2# . 15394 1 973 . 1 1 119 119 VAL HG22 H 1 1.207 0.021 . 1 . . . . 209 V HG2# . 15394 1 974 . 1 1 119 119 VAL HG23 H 1 1.207 0.021 . 1 . . . . 209 V HG2# . 15394 1 975 . 1 1 119 119 VAL CA C 13 66.157 0.088 . 1 . . . . 209 V CA . 15394 1 976 . 1 1 119 119 VAL CB C 13 31.162 0.045 . 1 . . . . 209 V CB . 15394 1 977 . 1 1 119 119 VAL CG1 C 13 24.397 0.123 . 1 . . . . 209 V CG1 . 15394 1 978 . 1 1 119 119 VAL CG2 C 13 24.938 0.031 . 1 . . . . 209 V CG2 . 15394 1 979 . 1 1 119 119 VAL N N 15 119.084 0.052 . 1 . . . . 209 V N . 15394 1 980 . 1 1 120 120 GLU H H 1 8.138 0.008 . 1 . . . . 210 E HN . 15394 1 981 . 1 1 120 120 GLU HA H 1 3.560 0.024 . 1 . . . . 210 E HA . 15394 1 982 . 1 1 120 120 GLU HB2 H 1 2.176 0.024 . 1 . . . . 210 E HB1 . 15394 1 983 . 1 1 120 120 GLU HB3 H 1 1.964 0.009 . 1 . . . . 210 E HB2 . 15394 1 984 . 1 1 120 120 GLU HG2 H 1 2.159 0.008 . 1 . . . . 210 E HG1 . 15394 1 985 . 1 1 120 120 GLU HG3 H 1 2.068 0.000 . 1 . . . . 210 E HG2 . 15394 1 986 . 1 1 120 120 GLU CA C 13 61.014 0.039 . 1 . . . . 210 E CA . 15394 1 987 . 1 1 120 120 GLU CB C 13 29.264 0.129 . 1 . . . . 210 E CB . 15394 1 988 . 1 1 120 120 GLU CG C 13 35.829 0.000 . 1 . . . . 210 E CG . 15394 1 989 . 1 1 120 120 GLU N N 15 121.072 0.037 . 1 . . . . 210 E N . 15394 1 990 . 1 1 121 121 GLN H H 1 7.222 0.008 . 1 . . . . 211 Q HN . 15394 1 991 . 1 1 121 121 GLN HA H 1 3.959 0.011 . 1 . . . . 211 Q HA . 15394 1 992 . 1 1 121 121 GLN HB2 H 1 2.386 0.018 . 2 . . . . 211 Q HB1 . 15394 1 993 . 1 1 121 121 GLN HG2 H 1 2.463 0.014 . 2 . . . . 211 Q HG1 . 15394 1 994 . 1 1 121 121 GLN CA C 13 58.618 0.058 . 1 . . . . 211 Q CA . 15394 1 995 . 1 1 121 121 GLN CB C 13 27.810 0.019 . 1 . . . . 211 Q CB . 15394 1 996 . 1 1 121 121 GLN CG C 13 33.697 0.006 . 1 . . . . 211 Q CG . 15394 1 997 . 1 1 121 121 GLN N N 15 114.940 0.101 . 1 . . . . 211 Q N . 15394 1 998 . 1 1 122 122 MET H H 1 7.987 0.005 . 1 . . . . 212 M HN . 15394 1 999 . 1 1 122 122 MET HA H 1 4.107 0.014 . 1 . . . . 212 M HA . 15394 1 1000 . 1 1 122 122 MET HB2 H 1 2.194 0.004 . 1 . . . . 212 M HB1 . 15394 1 1001 . 1 1 122 122 MET HB3 H 1 2.294 0.014 . 1 . . . . 212 M HB2 . 15394 1 1002 . 1 1 122 122 MET HE1 H 1 2.175 0.020 . 1 . . . . 212 M HE# . 15394 1 1003 . 1 1 122 122 MET HE2 H 1 2.175 0.020 . 1 . . . . 212 M HE# . 15394 1 1004 . 1 1 122 122 MET HE3 H 1 2.175 0.020 . 1 . . . . 212 M HE# . 15394 1 1005 . 1 1 122 122 MET HG2 H 1 2.741 0.018 . 1 . . . . 212 M HG1 . 15394 1 1006 . 1 1 122 122 MET HG3 H 1 2.495 0.012 . 1 . . . . 212 M HG2 . 15394 1 1007 . 1 1 122 122 MET CA C 13 59.878 0.078 . 1 . . . . 212 M CA . 15394 1 1008 . 1 1 122 122 MET CB C 13 35.521 0.014 . 1 . . . . 212 M CB . 15394 1 1009 . 1 1 122 122 MET CE C 13 17.562 0.040 . 1 . . . . 212 M CE . 15394 1 1010 . 1 1 122 122 MET CG C 13 32.412 0.027 . 1 . . . . 212 M CG . 15394 1 1011 . 1 1 122 122 MET N N 15 119.278 0.033 . 1 . . . . 212 M N . 15394 1 1012 . 1 1 123 123 CYS H H 1 9.236 0.026 . 1 . . . . 213 C HN . 15394 1 1013 . 1 1 123 123 CYS HA H 1 4.354 0.020 . 1 . . . . 213 C HA . 15394 1 1014 . 1 1 123 123 CYS HB2 H 1 3.541 0.013 . 1 . . . . 213 C HB1 . 15394 1 1015 . 1 1 123 123 CYS HB3 H 1 2.851 0.016 . 1 . . . . 213 C HB2 . 15394 1 1016 . 1 1 123 123 CYS CA C 13 60.057 0.042 . 1 . . . . 213 C CA . 15394 1 1017 . 1 1 123 123 CYS CB C 13 42.100 0.076 . 1 . . . . 213 C CB . 15394 1 1018 . 1 1 123 123 CYS N N 15 118.973 0.030 . 1 . . . . 213 C N . 15394 1 1019 . 1 1 124 124 ILE H H 1 8.326 0.003 . 1 . . . . 214 I HN . 15394 1 1020 . 1 1 124 124 ILE HA H 1 3.478 0.011 . 1 . . . . 214 I HA . 15394 1 1021 . 1 1 124 124 ILE HB H 1 1.968 0.020 . 1 . . . . 214 I HB . 15394 1 1022 . 1 1 124 124 ILE HD11 H 1 0.832 0.007 . 1 . . . . 214 I HD1# . 15394 1 1023 . 1 1 124 124 ILE HD12 H 1 0.832 0.007 . 1 . . . . 214 I HD1# . 15394 1 1024 . 1 1 124 124 ILE HD13 H 1 0.832 0.007 . 1 . . . . 214 I HD1# . 15394 1 1025 . 1 1 124 124 ILE HG21 H 1 0.863 0.008 . 1 . . . . 214 I HG2# . 15394 1 1026 . 1 1 124 124 ILE HG22 H 1 0.863 0.008 . 1 . . . . 214 I HG2# . 15394 1 1027 . 1 1 124 124 ILE HG23 H 1 0.863 0.008 . 1 . . . . 214 I HG2# . 15394 1 1028 . 1 1 124 124 ILE CA C 13 66.899 0.058 . 1 . . . . 214 I CA . 15394 1 1029 . 1 1 124 124 ILE CB C 13 38.302 0.014 . 1 . . . . 214 I CB . 15394 1 1030 . 1 1 124 124 ILE CD1 C 13 14.096 0.025 . 1 . . . . 214 I CD1 . 15394 1 1031 . 1 1 124 124 ILE CG2 C 13 16.989 0.080 . 1 . . . . 214 I CG2 . 15394 1 1032 . 1 1 124 124 ILE N N 15 123.509 0.063 . 1 . . . . 214 I N . 15394 1 1033 . 1 1 125 125 THR H H 1 8.094 0.011 . 1 . . . . 215 T HN . 15394 1 1034 . 1 1 125 125 THR HA H 1 3.880 0.012 . 1 . . . . 215 T HA . 15394 1 1035 . 1 1 125 125 THR HB H 1 4.294 0.009 . 1 . . . . 215 T HB . 15394 1 1036 . 1 1 125 125 THR HG21 H 1 1.235 0.006 . 1 . . . . 215 T HG2# . 15394 1 1037 . 1 1 125 125 THR HG22 H 1 1.235 0.006 . 1 . . . . 215 T HG2# . 15394 1 1038 . 1 1 125 125 THR HG23 H 1 1.235 0.006 . 1 . . . . 215 T HG2# . 15394 1 1039 . 1 1 125 125 THR CA C 13 67.150 0.092 . 1 . . . . 215 T CA . 15394 1 1040 . 1 1 125 125 THR CB C 13 68.292 0.114 . 1 . . . . 215 T CB . 15394 1 1041 . 1 1 125 125 THR CG2 C 13 22.104 0.075 . 1 . . . . 215 T CG2 . 15394 1 1042 . 1 1 125 125 THR N N 15 118.315 0.084 . 1 . . . . 215 T N . 15394 1 1043 . 1 1 126 126 GLN H H 1 8.758 0.015 . 1 . . . . 216 Q HN . 15394 1 1044 . 1 1 126 126 GLN HA H 1 3.683 0.008 . 1 . . . . 216 Q HA . 15394 1 1045 . 1 1 126 126 GLN HB2 H 1 2.254 0.027 . 1 . . . . 216 Q HB1 . 15394 1 1046 . 1 1 126 126 GLN HB3 H 1 1.687 0.013 . 1 . . . . 216 Q HB2 . 15394 1 1047 . 1 1 126 126 GLN HG2 H 1 1.592 0.007 . 1 . . . . 216 Q HG1 . 15394 1 1048 . 1 1 126 126 GLN CA C 13 58.771 0.047 . 1 . . . . 216 Q CA . 15394 1 1049 . 1 1 126 126 GLN CB C 13 28.249 0.082 . 1 . . . . 216 Q CB . 15394 1 1050 . 1 1 126 126 GLN CG C 13 32.376 0.000 . 1 . . . . 216 Q CG . 15394 1 1051 . 1 1 126 126 GLN N N 15 122.469 0.045 . 1 . . . . 216 Q N . 15394 1 1052 . 1 1 127 127 TYR H H 1 8.493 0.005 . 1 . . . . 217 Y HN . 15394 1 1053 . 1 1 127 127 TYR HA H 1 2.937 0.013 . 1 . . . . 217 Y HA . 15394 1 1054 . 1 1 127 127 TYR HB2 H 1 2.103 0.023 . 2 . . . . 217 Y HB2 . 15394 1 1055 . 1 1 127 127 TYR HD1 H 1 6.150 0.006 . 3 . . . . 217 Y HD1 . 15394 1 1056 . 1 1 127 127 TYR HE2 H 1 8.285 0.000 . 3 . . . . 217 Y HE2 . 15394 1 1057 . 1 1 127 127 TYR CA C 13 62.076 0.068 . 1 . . . . 217 Y CA . 15394 1 1058 . 1 1 127 127 TYR CB C 13 37.162 0.000 . 1 . . . . 217 Y CB . 15394 1 1059 . 1 1 127 127 TYR N N 15 119.962 0.041 . 1 . . . . 217 Y N . 15394 1 1060 . 1 1 128 128 GLN H H 1 8.347 0.008 . 1 . . . . 218 Q HN . 15394 1 1061 . 1 1 128 128 GLN HA H 1 3.737 0.017 . 1 . . . . 218 Q HA . 15394 1 1062 . 1 1 128 128 GLN HB2 H 1 2.420 0.033 . 1 . . . . 218 Q HB1 . 15394 1 1063 . 1 1 128 128 GLN HB3 H 1 2.047 0.036 . 1 . . . . 218 Q HB2 . 15394 1 1064 . 1 1 128 128 GLN HG2 H 1 2.683 0.021 . 2 . . . . 218 Q HG1 . 15394 1 1065 . 1 1 128 128 GLN CA C 13 59.074 0.086 . 1 . . . . 218 Q CA . 15394 1 1066 . 1 1 128 128 GLN CB C 13 27.528 0.081 . 1 . . . . 218 Q CB . 15394 1 1067 . 1 1 128 128 GLN CG C 13 33.783 0.000 . 1 . . . . 218 Q CG . 15394 1 1068 . 1 1 128 128 GLN N N 15 120.182 0.094 . 1 . . . . 218 Q N . 15394 1 1069 . 1 1 129 129 GLN H H 1 8.230 0.009 . 1 . . . . 219 Q HN . 15394 1 1070 . 1 1 129 129 GLN HA H 1 3.995 0.010 . 1 . . . . 219 Q HA . 15394 1 1071 . 1 1 129 129 GLN HB2 H 1 2.083 0.002 . 2 . . . . 219 Q HB1 . 15394 1 1072 . 1 1 129 129 GLN HG2 H 1 2.361 0.008 . 1 . . . . 219 Q HG1 . 15394 1 1073 . 1 1 129 129 GLN HG3 H 1 2.441 0.021 . 1 . . . . 219 Q HG2 . 15394 1 1074 . 1 1 129 129 GLN CA C 13 58.870 0.078 . 1 . . . . 219 Q CA . 15394 1 1075 . 1 1 129 129 GLN CB C 13 28.517 0.053 . 1 . . . . 219 Q CB . 15394 1 1076 . 1 1 129 129 GLN CG C 13 33.772 0.180 . 1 . . . . 219 Q CG . 15394 1 1077 . 1 1 129 129 GLN N N 15 118.839 0.054 . 1 . . . . 219 Q N . 15394 1 1078 . 1 1 130 130 GLU H H 1 8.489 0.007 . 1 . . . . 220 E HN . 15394 1 1079 . 1 1 130 130 GLU HA H 1 4.081 0.009 . 1 . . . . 220 E HA . 15394 1 1080 . 1 1 130 130 GLU HB2 H 1 2.124 0.009 . 1 . . . . 220 E HB1 . 15394 1 1081 . 1 1 130 130 GLU HB3 H 1 1.727 0.030 . 1 . . . . 220 E HB2 . 15394 1 1082 . 1 1 130 130 GLU HG2 H 1 2.194 0.009 . 1 . . . . 220 E HG1 . 15394 1 1083 . 1 1 130 130 GLU HG3 H 1 2.416 0.005 . 1 . . . . 220 E HG2 . 15394 1 1084 . 1 1 130 130 GLU CA C 13 58.131 0.104 . 1 . . . . 220 E CA . 15394 1 1085 . 1 1 130 130 GLU CB C 13 29.672 0.047 . 1 . . . . 220 E CB . 15394 1 1086 . 1 1 130 130 GLU CG C 13 36.766 0.086 . 1 . . . . 220 E CG . 15394 1 1087 . 1 1 130 130 GLU N N 15 118.774 0.027 . 1 . . . . 220 E N . 15394 1 1088 . 1 1 131 131 SER H H 1 8.442 0.008 . 1 . . . . 221 S HN . 15394 1 1089 . 1 1 131 131 SER HA H 1 3.966 0.019 . 1 . . . . 221 S HA . 15394 1 1090 . 1 1 131 131 SER HB2 H 1 3.571 0.011 . 1 . . . . 221 S HB1 . 15394 1 1091 . 1 1 131 131 SER HB3 H 1 3.361 0.012 . 1 . . . . 221 S HB2 . 15394 1 1092 . 1 1 131 131 SER CA C 13 61.629 0.034 . 1 . . . . 221 S CA . 15394 1 1093 . 1 1 131 131 SER CB C 13 62.203 0.028 . 1 . . . . 221 S CB . 15394 1 1094 . 1 1 131 131 SER N N 15 116.655 0.050 . 1 . . . . 221 S N . 15394 1 1095 . 1 1 132 132 GLN H H 1 7.824 0.005 . 1 . . . . 222 Q HN . 15394 1 1096 . 1 1 132 132 GLN HA H 1 4.170 0.013 . 1 . . . . 222 Q HA . 15394 1 1097 . 1 1 132 132 GLN HB2 H 1 2.146 0.014 . 2 . . . . 222 Q HB1 . 15394 1 1098 . 1 1 132 132 GLN HG2 H 1 2.477 0.017 . 1 . . . . 222 Q HG1 . 15394 1 1099 . 1 1 132 132 GLN HG3 H 1 2.432 0.000 . 1 . . . . 222 Q HG2 . 15394 1 1100 . 1 1 132 132 GLN CA C 13 58.549 0.046 . 1 . . . . 222 Q CA . 15394 1 1101 . 1 1 132 132 GLN CB C 13 28.148 0.118 . 1 . . . . 222 Q CB . 15394 1 1102 . 1 1 132 132 GLN CG C 13 33.703 0.070 . 1 . . . . 222 Q CG . 15394 1 1103 . 1 1 132 132 GLN N N 15 122.226 0.026 . 1 . . . . 222 Q N . 15394 1 1104 . 1 1 133 133 ALA H H 1 7.842 0.012 . 1 . . . . 223 A HN . 15394 1 1105 . 1 1 133 133 ALA HA H 1 4.195 0.008 . 1 . . . . 223 A HA . 15394 1 1106 . 1 1 133 133 ALA HB1 H 1 1.496 0.010 . 1 . . . . 223 A HB# . 15394 1 1107 . 1 1 133 133 ALA HB2 H 1 1.496 0.010 . 1 . . . . 223 A HB# . 15394 1 1108 . 1 1 133 133 ALA HB3 H 1 1.496 0.010 . 1 . . . . 223 A HB# . 15394 1 1109 . 1 1 133 133 ALA CA C 13 54.810 0.047 . 1 . . . . 223 A CA . 15394 1 1110 . 1 1 133 133 ALA CB C 13 18.022 0.079 . 1 . . . . 223 A CB . 15394 1 1111 . 1 1 133 133 ALA N N 15 122.207 0.058 . 1 . . . . 223 A N . 15394 1 1112 . 1 1 134 134 ALA H H 1 8.004 0.008 . 1 . . . . 224 A HN . 15394 1 1113 . 1 1 134 134 ALA HA H 1 4.059 0.004 . 1 . . . . 224 A HA . 15394 1 1114 . 1 1 134 134 ALA HB1 H 1 1.454 0.006 . 1 . . . . 224 A HB# . 15394 1 1115 . 1 1 134 134 ALA HB2 H 1 1.454 0.006 . 1 . . . . 224 A HB# . 15394 1 1116 . 1 1 134 134 ALA HB3 H 1 1.454 0.006 . 1 . . . . 224 A HB# . 15394 1 1117 . 1 1 134 134 ALA CA C 13 55.472 0.070 . 1 . . . . 224 A CA . 15394 1 1118 . 1 1 134 134 ALA CB C 13 18.096 0.039 . 1 . . . . 224 A CB . 15394 1 1119 . 1 1 134 134 ALA N N 15 120.665 0.050 . 1 . . . . 224 A N . 15394 1 1120 . 1 1 135 135 TYR H H 1 7.965 0.004 . 1 . . . . 225 Y HN . 15394 1 1121 . 1 1 135 135 TYR HA H 1 4.313 0.015 . 1 . . . . 225 Y HA . 15394 1 1122 . 1 1 135 135 TYR HB2 H 1 3.180 0.007 . 1 . . . . 225 Y HB1 . 15394 1 1123 . 1 1 135 135 TYR HB3 H 1 3.163 0.006 . 1 . . . . 225 Y HB2 . 15394 1 1124 . 1 1 135 135 TYR HD1 H 1 7.134 0.006 . 3 . . . . 225 Y HD1 . 15394 1 1125 . 1 1 135 135 TYR CA C 13 60.419 0.055 . 1 . . . . 225 Y CA . 15394 1 1126 . 1 1 135 135 TYR CB C 13 37.952 0.050 . 1 . . . . 225 Y CB . 15394 1 1127 . 1 1 135 135 TYR N N 15 120.588 0.046 . 1 . . . . 225 Y N . 15394 1 1128 . 1 1 136 136 GLN H H 1 8.103 0.003 . 1 . . . . 226 Q HN . 15394 1 1129 . 1 1 136 136 GLN HA H 1 3.914 0.013 . 1 . . . . 226 Q HA . 15394 1 1130 . 1 1 136 136 GLN HB2 H 1 2.166 0.015 . 2 . . . . 226 Q HB1 . 15394 1 1131 . 1 1 136 136 GLN HG2 H 1 2.496 0.005 . 1 . . . . 226 Q HG1 . 15394 1 1132 . 1 1 136 136 GLN HG3 H 1 2.453 0.006 . 1 . . . . 226 Q HG2 . 15394 1 1133 . 1 1 136 136 GLN CA C 13 58.254 0.065 . 1 . . . . 226 Q CA . 15394 1 1134 . 1 1 136 136 GLN CB C 13 28.087 0.021 . 1 . . . . 226 Q CB . 15394 1 1135 . 1 1 136 136 GLN CG C 13 33.734 0.039 . 1 . . . . 226 Q CG . 15394 1 1136 . 1 1 136 136 GLN N N 15 118.362 0.055 . 1 . . . . 226 Q N . 15394 1 1137 . 1 1 137 137 ARG H H 1 8.068 0.004 . 1 . . . . 227 R HN . 15394 1 1138 . 1 1 137 137 ARG HA H 1 4.102 0.021 . 1 . . . . 227 R HA . 15394 1 1139 . 1 1 137 137 ARG HB2 H 1 1.920 0.010 . 1 . . . . 227 R HB1 . 15394 1 1140 . 1 1 137 137 ARG HB3 H 1 1.814 0.023 . 1 . . . . 227 R HB2 . 15394 1 1141 . 1 1 137 137 ARG HD2 H 1 3.275 0.021 . 1 . . . . 227 R HD1 . 15394 1 1142 . 1 1 137 137 ARG HD3 H 1 3.185 0.020 . 1 . . . . 227 R HD2 . 15394 1 1143 . 1 1 137 137 ARG HG2 H 1 1.616 0.017 . 1 . . . . 227 R HG1 . 15394 1 1144 . 1 1 137 137 ARG HG3 H 1 1.823 0.006 . 1 . . . . 227 R HG2 . 15394 1 1145 . 1 1 137 137 ARG CA C 13 58.877 0.076 . 1 . . . . 227 R CA . 15394 1 1146 . 1 1 137 137 ARG CB C 13 30.354 0.147 . 1 . . . . 227 R CB . 15394 1 1147 . 1 1 137 137 ARG CD C 13 43.378 0.122 . 1 . . . . 227 R CD . 15394 1 1148 . 1 1 137 137 ARG CG C 13 27.966 0.063 . 1 . . . . 227 R CG . 15394 1 1149 . 1 1 137 137 ARG N N 15 118.977 0.032 . 1 . . . . 227 R N . 15394 1 1150 . 1 1 138 138 ALA H H 1 7.730 0.006 . 1 . . . . 228 A HN . 15394 1 1151 . 1 1 138 138 ALA HA H 1 4.149 0.011 . 1 . . . . 228 A HA . 15394 1 1152 . 1 1 138 138 ALA HB1 H 1 1.442 0.004 . 1 . . . . 228 A HB# . 15394 1 1153 . 1 1 138 138 ALA HB2 H 1 1.442 0.004 . 1 . . . . 228 A HB# . 15394 1 1154 . 1 1 138 138 ALA HB3 H 1 1.442 0.004 . 1 . . . . 228 A HB# . 15394 1 1155 . 1 1 138 138 ALA CA C 13 54.021 0.084 . 1 . . . . 228 A CA . 15394 1 1156 . 1 1 138 138 ALA CB C 13 18.035 0.072 . 1 . . . . 228 A CB . 15394 1 1157 . 1 1 138 138 ALA N N 15 121.966 0.056 . 1 . . . . 228 A N . 15394 1 stop_ save_