data_19248 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19248 _Entry.Title ; Structure of SRSF1 RRM2 in complex with the RNA 5'-UGAAGGAC-3' ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-05-17 _Entry.Accession_date 2013-05-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Antoine Clery . . . 19248 2 Rahul Sinha . . . 19248 3 Olga Anczukow . . . 19248 4 Anna Corrionero . . . 19248 5 Ahmed Moursy . . . 19248 6 Gerrit Daubner . . . 19248 7 Juan Valcarcel . . . 19248 8 Adrian Krainer . R. . 19248 9 Frederic Allain . HT . 19248 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19248 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID pseudo-RRM . 19248 RNA . 19248 'RNA-protein complex' . 19248 RRM . 19248 'SR protein' . 19248 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19248 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 271 19248 '15N chemical shifts' 89 19248 '1H chemical shifts' 638 19248 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-08-08 2013-05-17 update BMRB 'update entry citation' 19248 1 . . 2013-07-08 2013-05-17 original author 'original release' 19248 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M8D 'BMRB Entry Tracking System' 19248 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19248 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23836656 _Citation.Full_citation . _Citation.Title 'Isolated pseudo-RNA-recognition motifs of SR proteins can regulate splicing using a noncanonical mode of RNA recognition.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 110 _Citation.Journal_issue 30 _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 E2802 _Citation.Page_last E2811 _Citation.Year 2013 _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 Antoine Clery . . . 19248 1 2 Rahul Sinha . . . 19248 1 3 Olga Anczukow . . . 19248 1 4 Anna Corrionero . . . 19248 1 5 Ahmed Moursy . . . 19248 1 6 Gerrit Daubner . M. . 19248 1 7 Juan Valcarcel . . . 19248 1 8 Adrian Krainer . R. . 19248 1 9 'Frederic H-T' Allain . . . 19248 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19248 _Assembly.ID 1 _Assembly.Name 'SRSF1 RRM2 in complex with the RNA 5'-UGAAGGAC-3'' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 RNA_5'-UGAAGGAC-3 1 $RNA_5'-UGAAGGAC-3 A . yes native no no . . . 19248 1 2 SRSF1_RRM2 2 $SRSF1_RRM2 B . yes native no no . . . 19248 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNA_5'-UGAAGGAC-3 _Entity.Sf_category entity _Entity.Sf_framecode RNA_5'-UGAAGGAC-3 _Entity.Entry_ID 19248 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNA_5'-UGAAGGAC-3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code UGAAGGAC _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 8 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2589.643 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . U . 19248 1 2 . G . 19248 1 3 . A . 19248 1 4 . A . 19248 1 5 . G . 19248 1 6 . G . 19248 1 7 . A . 19248 1 8 . C . 19248 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 . U 1 1 19248 1 . G 2 2 19248 1 . A 3 3 19248 1 . A 4 4 19248 1 . G 5 5 19248 1 . G 6 6 19248 1 . A 7 7 19248 1 . C 8 8 19248 1 stop_ save_ save_SRSF1_RRM2 _Entity.Sf_category entity _Entity.Sf_framecode SRSF1_RRM2 _Entity.Entry_ID 19248 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name SRSF1_RRM2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAPRGRYGPPSRRSENRVVV SGLPPSGSWQDLKDHMREAG DVCYADVYRDGTGVVEFVRK EDMTYAVRKLDNTKFRSHEG ETAYIRVKVDG ; _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 91 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10338.676 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19203 . RRM2 . . . . . 97.80 90 100.00 100.00 2.76e-57 . . . . 19248 2 2 no PDB 1X4C . "Solution Structure Of Rrm Domain In Splicing Factor 2" . . . . . 92.31 108 100.00 100.00 1.65e-53 . . . . 19248 2 3 no PDB 2M7S . "Nmr Structure Of Rna Recognition Motif 2 (rrm2) Of Homo Sapiens Splicing Factor, Arginine/serine-rich 1" . . . . . 97.80 90 100.00 100.00 2.76e-57 . . . . 19248 2 4 no PDB 2M8D . "Structure Of Srsf1 Rrm2 In Complex With The Rna 5'-ugaaggac-3'" . . . . . 100.00 91 100.00 100.00 4.56e-59 . . . . 19248 2 5 no PDB 2O3D . "Structure Of Human Sf2ASF RNA RECOGNITION MOTIF 2 (RRM2)" . . . . . 100.00 113 100.00 100.00 4.28e-59 . . . . 19248 2 6 no PDB 3BEG . "Crystal Structure Of Sr Protein Kinase 1 Complexed To Its Substrate Asf/sf2" . . . . . 98.90 115 100.00 100.00 3.30e-58 . . . . 19248 2 7 no PDB 4C0O . "Transportin 3 In Complex With Phosphorylated Asf/sf2" . . . . . 98.90 125 100.00 100.00 3.57e-58 . . . . 19248 2 8 no DBJ BAB93456 . "OK/SW-cl.3 [Homo sapiens]" . . . . . 98.90 248 100.00 100.00 6.16e-56 . . . . 19248 2 9 no DBJ BAC37367 . "unnamed protein product [Mus musculus]" . . . . . 85.71 201 100.00 100.00 2.43e-47 . . . . 19248 2 10 no DBJ BAE29641 . "unnamed protein product [Mus musculus]" . . . . . 98.90 248 100.00 100.00 6.16e-56 . . . . 19248 2 11 no DBJ BAE88160 . "unnamed protein product [Macaca fascicularis]" . . . . . 98.90 182 100.00 100.00 6.12e-58 . . . . 19248 2 12 no DBJ BAF82622 . "unnamed protein product [Homo sapiens]" . . . . . 98.90 248 98.89 98.89 1.80e-55 . . . . 19248 2 13 no EMBL CAH92288 . "hypothetical protein [Pongo abelii]" . . . . . 98.90 248 100.00 100.00 6.57e-56 . . . . 19248 2 14 no GB AAA03476 . "SF2p33 [Homo sapiens]" . . . . . 98.90 248 100.00 100.00 6.16e-56 . . . . 19248 2 15 no GB AAA35564 . "alternative [Homo sapiens]" . . . . . 85.71 292 100.00 100.00 5.40e-47 . . . . 19248 2 16 no GB AAA35565 . "alternative [Homo sapiens]" . . . . . 98.90 248 100.00 100.00 6.16e-56 . . . . 19248 2 17 no GB AAH10264 . "Splicing factor, arginine/serine-rich 1 [Homo sapiens]" . . . . . 98.90 248 100.00 100.00 6.16e-56 . . . . 19248 2 18 no GB AAH42354 . "Sfrs1 protein, partial [Xenopus laevis]" . . . . . 98.90 283 97.78 98.89 3.69e-54 . . . . 19248 2 19 no REF NP_001006919 . "serine/arginine-rich splicing factor 1 [Xenopus (Silurana) tropicalis]" . . . . . 98.90 267 97.78 98.89 3.31e-54 . . . . 19248 2 20 no REF NP_001033096 . "serine/arginine-rich splicing factor 1 [Sus scrofa]" . . . . . 98.90 248 100.00 100.00 6.16e-56 . . . . 19248 2 21 no REF NP_001069862 . "serine/arginine-rich splicing factor 1 [Bos taurus]" . . . . . 98.90 248 100.00 100.00 6.16e-56 . . . . 19248 2 22 no REF NP_001071635 . "serine/arginine-rich splicing factor 1 isoform 2 [Mus musculus]" . . . . . 85.71 201 100.00 100.00 2.43e-47 . . . . 19248 2 23 no REF NP_001103022 . "serine/arginine-rich splicing factor 1 [Rattus norvegicus]" . . . . . 98.90 248 100.00 100.00 6.16e-56 . . . . 19248 2 24 no SP Q07955 . "RecName: Full=Serine/arginine-rich splicing factor 1; AltName: Full=Alternative-splicing factor 1; Short=ASF-1; AltName: Full=S" . . . . . 98.90 248 100.00 100.00 6.16e-56 . . . . 19248 2 25 no SP Q0VCY7 . "RecName: Full=Serine/arginine-rich splicing factor 1; AltName: Full=Splicing factor, arginine/serine-rich 1" . . . . . 98.90 248 100.00 100.00 6.16e-56 . . . . 19248 2 26 no SP Q3YLA6 . "RecName: Full=Serine/arginine-rich splicing factor 1; AltName: Full=Splicing factor, arginine/serine-rich 1" . . . . . 98.90 248 100.00 100.00 6.16e-56 . . . . 19248 2 27 no SP Q5R7H2 . "RecName: Full=Serine/arginine-rich splicing factor 1; AltName: Full=Splicing factor, arginine/serine-rich 1" . . . . . 98.90 248 100.00 100.00 6.57e-56 . . . . 19248 2 28 no SP Q6DII2 . "RecName: Full=Serine/arginine-rich splicing factor 1; AltName: Full=Splicing factor, arginine/serine-rich 1" . . . . . 98.90 267 97.78 98.89 3.31e-54 . . . . 19248 2 29 no TPG DAA19172 . "TPA: splicing factor, arginine/serine-rich 1 [Bos taurus]" . . . . . 98.90 248 100.00 100.00 6.16e-56 . . . . 19248 2 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 1 106 MET . 19248 2 2 107 ALA . 19248 2 3 108 PRO . 19248 2 4 109 ARG . 19248 2 5 110 GLY . 19248 2 6 111 ARG . 19248 2 7 112 TYR . 19248 2 8 113 GLY . 19248 2 9 114 PRO . 19248 2 10 115 PRO . 19248 2 11 116 SER . 19248 2 12 117 ARG . 19248 2 13 118 ARG . 19248 2 14 119 SER . 19248 2 15 120 GLU . 19248 2 16 121 ASN . 19248 2 17 122 ARG . 19248 2 18 123 VAL . 19248 2 19 124 VAL . 19248 2 20 125 VAL . 19248 2 21 126 SER . 19248 2 22 127 GLY . 19248 2 23 128 LEU . 19248 2 24 129 PRO . 19248 2 25 130 PRO . 19248 2 26 131 SER . 19248 2 27 132 GLY . 19248 2 28 133 SER . 19248 2 29 134 TRP . 19248 2 30 135 GLN . 19248 2 31 136 ASP . 19248 2 32 137 LEU . 19248 2 33 138 LYS . 19248 2 34 139 ASP . 19248 2 35 140 HIS . 19248 2 36 141 MET . 19248 2 37 142 ARG . 19248 2 38 143 GLU . 19248 2 39 144 ALA . 19248 2 40 145 GLY . 19248 2 41 146 ASP . 19248 2 42 147 VAL . 19248 2 43 148 CYS . 19248 2 44 149 TYR . 19248 2 45 150 ALA . 19248 2 46 151 ASP . 19248 2 47 152 VAL . 19248 2 48 153 TYR . 19248 2 49 154 ARG . 19248 2 50 155 ASP . 19248 2 51 156 GLY . 19248 2 52 157 THR . 19248 2 53 158 GLY . 19248 2 54 159 VAL . 19248 2 55 160 VAL . 19248 2 56 161 GLU . 19248 2 57 162 PHE . 19248 2 58 163 VAL . 19248 2 59 164 ARG . 19248 2 60 165 LYS . 19248 2 61 166 GLU . 19248 2 62 167 ASP . 19248 2 63 168 MET . 19248 2 64 169 THR . 19248 2 65 170 TYR . 19248 2 66 171 ALA . 19248 2 67 172 VAL . 19248 2 68 173 ARG . 19248 2 69 174 LYS . 19248 2 70 175 LEU . 19248 2 71 176 ASP . 19248 2 72 177 ASN . 19248 2 73 178 THR . 19248 2 74 179 LYS . 19248 2 75 180 PHE . 19248 2 76 181 ARG . 19248 2 77 182 SER . 19248 2 78 183 HIS . 19248 2 79 184 GLU . 19248 2 80 185 GLY . 19248 2 81 186 GLU . 19248 2 82 187 THR . 19248 2 83 188 ALA . 19248 2 84 189 TYR . 19248 2 85 190 ILE . 19248 2 86 191 ARG . 19248 2 87 192 VAL . 19248 2 88 193 LYS . 19248 2 89 194 VAL . 19248 2 90 195 ASP . 19248 2 91 196 GLY . 19248 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19248 2 . ALA 2 2 19248 2 . PRO 3 3 19248 2 . ARG 4 4 19248 2 . GLY 5 5 19248 2 . ARG 6 6 19248 2 . TYR 7 7 19248 2 . GLY 8 8 19248 2 . PRO 9 9 19248 2 . PRO 10 10 19248 2 . SER 11 11 19248 2 . ARG 12 12 19248 2 . ARG 13 13 19248 2 . SER 14 14 19248 2 . GLU 15 15 19248 2 . ASN 16 16 19248 2 . ARG 17 17 19248 2 . VAL 18 18 19248 2 . VAL 19 19 19248 2 . VAL 20 20 19248 2 . SER 21 21 19248 2 . GLY 22 22 19248 2 . LEU 23 23 19248 2 . PRO 24 24 19248 2 . PRO 25 25 19248 2 . SER 26 26 19248 2 . GLY 27 27 19248 2 . SER 28 28 19248 2 . TRP 29 29 19248 2 . GLN 30 30 19248 2 . ASP 31 31 19248 2 . LEU 32 32 19248 2 . LYS 33 33 19248 2 . ASP 34 34 19248 2 . HIS 35 35 19248 2 . MET 36 36 19248 2 . ARG 37 37 19248 2 . GLU 38 38 19248 2 . ALA 39 39 19248 2 . GLY 40 40 19248 2 . ASP 41 41 19248 2 . VAL 42 42 19248 2 . CYS 43 43 19248 2 . TYR 44 44 19248 2 . ALA 45 45 19248 2 . ASP 46 46 19248 2 . VAL 47 47 19248 2 . TYR 48 48 19248 2 . ARG 49 49 19248 2 . ASP 50 50 19248 2 . GLY 51 51 19248 2 . THR 52 52 19248 2 . GLY 53 53 19248 2 . VAL 54 54 19248 2 . VAL 55 55 19248 2 . GLU 56 56 19248 2 . PHE 57 57 19248 2 . VAL 58 58 19248 2 . ARG 59 59 19248 2 . LYS 60 60 19248 2 . GLU 61 61 19248 2 . ASP 62 62 19248 2 . MET 63 63 19248 2 . THR 64 64 19248 2 . TYR 65 65 19248 2 . ALA 66 66 19248 2 . VAL 67 67 19248 2 . ARG 68 68 19248 2 . LYS 69 69 19248 2 . LEU 70 70 19248 2 . ASP 71 71 19248 2 . ASN 72 72 19248 2 . THR 73 73 19248 2 . LYS 74 74 19248 2 . PHE 75 75 19248 2 . ARG 76 76 19248 2 . SER 77 77 19248 2 . HIS 78 78 19248 2 . GLU 79 79 19248 2 . GLY 80 80 19248 2 . GLU 81 81 19248 2 . THR 82 82 19248 2 . ALA 83 83 19248 2 . TYR 84 84 19248 2 . ILE 85 85 19248 2 . ARG 86 86 19248 2 . VAL 87 87 19248 2 . LYS 88 88 19248 2 . VAL 89 89 19248 2 . ASP 90 90 19248 2 . GLY 91 91 19248 2 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 19248 _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 $RNA_5'-UGAAGGAC-3 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19248 1 2 2 $SRSF1_RRM2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19248 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 19248 _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 $RNA_5'-UGAAGGAC-3 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19248 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19248 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SRSF1_RRM2 '[U-100% 15N]' . . 2 $SRSF1_RRM2 . . 0.8 . . mM . . . . 19248 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19248 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19248 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19248 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SRSF1_RRM2 '[U-100% 13C; U-100% 15N]' . . 2 $SRSF1_RRM2 . . 0.8 . . mM . . . . 19248 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19248 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19248 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 19248 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 . mM 19248 1 pH 5.5 . pH 19248 1 pressure 1 . atm 19248 1 temperature 273 . K 19248 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 19248 _Software.ID 1 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 19248 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19248 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19248 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19248 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 19248 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 . . . 19248 1 2 spectrometer_2 Bruker Avance . 700 . . . 19248 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 19248 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19248 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19248 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19248 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19248 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19248 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19248 1 7 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19248 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19248 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 19248 _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 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . . . . . 19248 1 H 1 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . . . . . 19248 1 N 15 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . . . . . 19248 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 19248 _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 6 '3D 1H-13C NOESY aliphatic' . . . 19248 1 7 '3D 1H-13C NOESY aromatic' . . . 19248 1 8 '3D 1H-15N NOESY' . . . 19248 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 U H1' H 1 5.890 . . . . . . A 1 U H1' . 19248 1 2 . 1 1 1 1 U H2' H 1 4.398 . . . . . . A 1 U H2' . 19248 1 3 . 1 1 1 1 U H3' H 1 4.615 . . . . . . A 1 U H3' . 19248 1 4 . 1 1 1 1 U H4' H 1 4.250 . . . . . . A 1 U H4' . 19248 1 5 . 1 1 1 1 U H5 H 1 5.859 . . . . . . A 1 U H5 . 19248 1 6 . 1 1 1 1 U H5' H 1 3.793 . . . . . . A 1 U H5' . 19248 1 7 . 1 1 1 1 U H5'' H 1 4.090 . . . . . . A 1 U H5'' . 19248 1 8 . 1 1 1 1 U H6 H 1 7.821 . . . . . . A 1 U H6 . 19248 1 9 . 1 1 2 2 G H1' H 1 5.809 . . . . . . A 2 G H1' . 19248 1 10 . 1 1 2 2 G H2' H 1 4.808 . . . . . . A 2 G H2' . 19248 1 11 . 1 1 2 2 G H3' H 1 4.871 . . . . . . A 2 G H3' . 19248 1 12 . 1 1 2 2 G H4' H 1 4.483 . . . . . . A 2 G H4' . 19248 1 13 . 1 1 2 2 G H5' H 1 4.205 . . . . . . A 2 G H5' . 19248 1 14 . 1 1 2 2 G H5'' H 1 4.226 . . . . . . A 2 G H5'' . 19248 1 15 . 1 1 2 2 G H8 H 1 8.017 . . . . . . A 2 G H8 . 19248 1 16 . 1 1 3 3 A H1' H 1 6.033 . . . . . . A 3 A H1' . 19248 1 17 . 1 1 3 3 A H2 H 1 8.157 . . . . . . A 3 A H2 . 19248 1 18 . 1 1 3 3 A H2' H 1 4.831 . . . . . . A 3 A H2' . 19248 1 19 . 1 1 3 3 A H3' H 1 4.924 . . . . . . A 3 A H3' . 19248 1 20 . 1 1 3 3 A H4' H 1 4.583 . . . . . . A 3 A H4' . 19248 1 21 . 1 1 3 3 A H5' H 1 4.314 . . . . . . A 3 A H5' . 19248 1 22 . 1 1 3 3 A H5'' H 1 4.246 . . . . . . A 3 A H5'' . 19248 1 23 . 1 1 3 3 A H8 H 1 8.382 . . . . . . A 3 A H8 . 19248 1 24 . 1 1 4 4 A H1' H 1 6.197 . . . . . . A 4 A H1' . 19248 1 25 . 1 1 4 4 A H2 H 1 8.152 . . . . . . A 4 A H2 . 19248 1 26 . 1 1 4 4 A H2' H 1 5.011 . . . . . . A 4 A H2' . 19248 1 27 . 1 1 4 4 A H3' H 1 5.043 . . . . . . A 4 A H3' . 19248 1 28 . 1 1 4 4 A H4' H 1 4.668 . . . . . . A 4 A H4' . 19248 1 29 . 1 1 4 4 A H5' H 1 4.404 . . . . . . A 4 A H5' . 19248 1 30 . 1 1 4 4 A H5'' H 1 4.423 . . . . . . A 4 A H5'' . 19248 1 31 . 1 1 4 4 A H8 H 1 8.483 . . . . . . A 4 A H8 . 19248 1 32 . 1 1 5 5 G H1' H 1 5.933 . . . . . . A 5 G H1' . 19248 1 33 . 1 1 5 5 G H2' H 1 4.557 . . . . . . A 5 G H2' . 19248 1 34 . 1 1 5 5 G H3' H 1 5.023 . . . . . . A 5 G H3' . 19248 1 35 . 1 1 5 5 G H4' H 1 4.339 . . . . . . A 5 G H4' . 19248 1 36 . 1 1 5 5 G H5' H 1 4.389 . . . . . . A 5 G H5' . 19248 1 37 . 1 1 5 5 G H5'' H 1 4.394 . . . . . . A 5 G H5'' . 19248 1 38 . 1 1 5 5 G H8 H 1 8.274 . . . . . . A 5 G H8 . 19248 1 39 . 1 1 6 6 G H1' H 1 5.762 . . . . . . A 6 G H1' . 19248 1 40 . 1 1 6 6 G H2' H 1 4.921 . . . . . . A 6 G H2' . 19248 1 41 . 1 1 6 6 G H3' H 1 5.071 . . . . . . A 6 G H3' . 19248 1 42 . 1 1 6 6 G H4' H 1 4.529 . . . . . . A 6 G H4' . 19248 1 43 . 1 1 6 6 G H5' H 1 4.108 . . . . . . A 6 G H5' . 19248 1 44 . 1 1 6 6 G H5'' H 1 4.247 . . . . . . A 6 G H5'' . 19248 1 45 . 1 1 6 6 G H8 H 1 8.165 . . . . . . A 6 G H8 . 19248 1 46 . 1 1 7 7 A H1' H 1 6.121 . . . . . . A 7 A H1' . 19248 1 47 . 1 1 7 7 A H2 H 1 7.904 . . . . . . A 7 A H2 . 19248 1 48 . 1 1 7 7 A H2' H 1 4.689 . . . . . . A 7 A H2' . 19248 1 49 . 1 1 7 7 A H3' H 1 4.829 . . . . . . A 7 A H3' . 19248 1 50 . 1 1 7 7 A H4' H 1 4.626 . . . . . . A 7 A H4' . 19248 1 51 . 1 1 7 7 A H5' H 1 4.367 . . . . . . A 7 A H5' . 19248 1 52 . 1 1 7 7 A H5'' H 1 4.261 . . . . . . A 7 A H5'' . 19248 1 53 . 1 1 7 7 A H8 H 1 8.401 . . . . . . A 7 A H8 . 19248 1 54 . 1 1 8 8 C H1' H 1 5.933 . . . . . . A 8 C H1' . 19248 1 55 . 1 1 8 8 C H2' H 1 4.338 . . . . . . A 8 C H2' . 19248 1 56 . 1 1 8 8 C H3' H 1 4.395 . . . . . . A 8 C H3' . 19248 1 57 . 1 1 8 8 C H4' H 1 4.250 . . . . . . A 8 C H4' . 19248 1 58 . 1 1 8 8 C H5 H 1 6.134 . . . . . . A 8 C H5 . 19248 1 59 . 1 1 8 8 C H6 H 1 7.947 . . . . . . A 8 C H6 . 19248 1 60 . 2 2 2 2 ALA HB1 H 1 1.414 . . . . . . B 107 ALA HB1 . 19248 1 61 . 2 2 2 2 ALA HB2 H 1 1.414 . . . . . . B 107 ALA HB2 . 19248 1 62 . 2 2 2 2 ALA HB3 H 1 1.414 . . . . . . B 107 ALA HB3 . 19248 1 63 . 2 2 2 2 ALA CB C 13 18.280 . . . . . . B 107 ALA CB . 19248 1 64 . 2 2 3 3 PRO HA H 1 4.503 . . . . . . B 108 PRO HA . 19248 1 65 . 2 2 3 3 PRO HB2 H 1 1.976 . . . . . . B 108 PRO HB2 . 19248 1 66 . 2 2 3 3 PRO HB3 H 1 2.337 . . . . . . B 108 PRO HB3 . 19248 1 67 . 2 2 3 3 PRO HG2 H 1 2.086 . . . . . . B 108 PRO HG2 . 19248 1 68 . 2 2 3 3 PRO HG3 H 1 2.086 . . . . . . B 108 PRO HG3 . 19248 1 69 . 2 2 3 3 PRO HD2 H 1 3.845 . . . . . . B 108 PRO HD2 . 19248 1 70 . 2 2 3 3 PRO HD3 H 1 3.677 . . . . . . B 108 PRO HD3 . 19248 1 71 . 2 2 3 3 PRO CA C 13 63.296 . . . . . . B 108 PRO CA . 19248 1 72 . 2 2 3 3 PRO CB C 13 32.066 . . . . . . B 108 PRO CB . 19248 1 73 . 2 2 3 3 PRO CG C 13 27.447 . . . . . . B 108 PRO CG . 19248 1 74 . 2 2 3 3 PRO CD C 13 50.286 . . . . . . B 108 PRO CD . 19248 1 75 . 2 2 4 4 ARG H H 1 8.410 . . . . . . B 109 ARG H . 19248 1 76 . 2 2 4 4 ARG HA H 1 4.394 . . . . . . B 109 ARG HA . 19248 1 77 . 2 2 4 4 ARG HB2 H 1 1.956 . . . . . . B 109 ARG HB2 . 19248 1 78 . 2 2 4 4 ARG HB3 H 1 1.849 . . . . . . B 109 ARG HB3 . 19248 1 79 . 2 2 4 4 ARG HG2 H 1 1.719 . . . . . . B 109 ARG HG2 . 19248 1 80 . 2 2 4 4 ARG HD2 H 1 3.246 . . . . . . B 109 ARG HD2 . 19248 1 81 . 2 2 4 4 ARG HD3 H 1 3.246 . . . . . . B 109 ARG HD3 . 19248 1 82 . 2 2 4 4 ARG CA C 13 56.338 . . . . . . B 109 ARG CA . 19248 1 83 . 2 2 4 4 ARG CB C 13 31.060 . . . . . . B 109 ARG CB . 19248 1 84 . 2 2 4 4 ARG CG C 13 27.253 . . . . . . B 109 ARG CG . 19248 1 85 . 2 2 4 4 ARG CD C 13 43.540 . . . . . . B 109 ARG CD . 19248 1 86 . 2 2 4 4 ARG N N 15 120.741 . . . . . . B 109 ARG N . 19248 1 87 . 2 2 5 5 GLY H H 1 8.371 . . . . . . B 110 GLY H . 19248 1 88 . 2 2 5 5 GLY HA2 H 1 4.030 . . . . . . B 110 GLY HA2 . 19248 1 89 . 2 2 5 5 GLY HA3 H 1 3.990 . . . . . . B 110 GLY HA3 . 19248 1 90 . 2 2 5 5 GLY CA C 13 45.403 . . . . . . B 110 GLY CA . 19248 1 91 . 2 2 5 5 GLY N N 15 109.700 . . . . . . B 110 GLY N . 19248 1 92 . 2 2 6 6 ARG H H 1 8.066 . . . . . . B 111 ARG H . 19248 1 93 . 2 2 6 6 ARG HA H 1 4.282 . . . . . . B 111 ARG HA . 19248 1 94 . 2 2 6 6 ARG HB2 H 1 1.661 . . . . . . B 111 ARG HB2 . 19248 1 95 . 2 2 6 6 ARG HB3 H 1 1.661 . . . . . . B 111 ARG HB3 . 19248 1 96 . 2 2 6 6 ARG HG2 H 1 1.451 . . . . . . B 111 ARG HG2 . 19248 1 97 . 2 2 6 6 ARG HG3 H 1 1.451 . . . . . . B 111 ARG HG3 . 19248 1 98 . 2 2 6 6 ARG HD2 H 1 3.123 . . . . . . B 111 ARG HD2 . 19248 1 99 . 2 2 6 6 ARG HD3 H 1 3.123 . . . . . . B 111 ARG HD3 . 19248 1 100 . 2 2 6 6 ARG CA C 13 56.364 . . . . . . B 111 ARG CA . 19248 1 101 . 2 2 6 6 ARG CB C 13 30.961 . . . . . . B 111 ARG CB . 19248 1 102 . 2 2 6 6 ARG CG C 13 26.903 . . . . . . B 111 ARG CG . 19248 1 103 . 2 2 6 6 ARG CD C 13 43.470 . . . . . . B 111 ARG CD . 19248 1 104 . 2 2 6 6 ARG N N 15 120.579 . . . . . . B 111 ARG N . 19248 1 105 . 2 2 7 7 TYR H H 1 8.300 . . . . . . B 112 TYR H . 19248 1 106 . 2 2 7 7 TYR HA H 1 4.298 . . . . . . B 112 TYR HA . 19248 1 107 . 2 2 7 7 TYR HB2 H 1 3.143 . . . . . . B 112 TYR HB2 . 19248 1 108 . 2 2 7 7 TYR HB3 H 1 2.881 . . . . . . B 112 TYR HB3 . 19248 1 109 . 2 2 7 7 TYR HD1 H 1 7.043 . . . . . . B 112 TYR HD1 . 19248 1 110 . 2 2 7 7 TYR HD2 H 1 7.043 . . . . . . B 112 TYR HD2 . 19248 1 111 . 2 2 7 7 TYR HE1 H 1 6.776 . . . . . . B 112 TYR HE1 . 19248 1 112 . 2 2 7 7 TYR HE2 H 1 6.776 . . . . . . B 112 TYR HE2 . 19248 1 113 . 2 2 7 7 TYR CB C 13 39.124 . . . . . . B 112 TYR CB . 19248 1 114 . 2 2 7 7 TYR CD1 C 13 133.116 . . . . . . B 112 TYR CD1 . 19248 1 115 . 2 2 7 7 TYR CE1 C 13 118.103 . . . . . . B 112 TYR CE1 . 19248 1 116 . 2 2 7 7 TYR N N 15 120.475 . . . . . . B 112 TYR N . 19248 1 117 . 2 2 8 8 GLY H H 1 8.056 . . . . . . B 113 GLY H . 19248 1 118 . 2 2 8 8 GLY HA2 H 1 3.735 . . . . . . B 113 GLY HA2 . 19248 1 119 . 2 2 8 8 GLY HA3 H 1 4.233 . . . . . . B 113 GLY HA3 . 19248 1 120 . 2 2 8 8 GLY CA C 13 44.567 . . . . . . B 113 GLY CA . 19248 1 121 . 2 2 8 8 GLY N N 15 109.803 . . . . . . B 113 GLY N . 19248 1 122 . 2 2 10 10 PRO HA H 1 4.573 . . . . . . B 115 PRO HA . 19248 1 123 . 2 2 10 10 PRO HB3 H 1 2.236 . . . . . . B 115 PRO HB3 . 19248 1 124 . 2 2 10 10 PRO HG2 H 1 1.982 . . . . . . B 115 PRO HG2 . 19248 1 125 . 2 2 10 10 PRO CG C 13 27.459 . . . . . . B 115 PRO CG . 19248 1 126 . 2 2 11 11 SER H H 1 8.464 . . . . . . B 116 SER H . 19248 1 127 . 2 2 11 11 SER HA H 1 4.583 . . . . . . B 116 SER HA . 19248 1 128 . 2 2 11 11 SER HB2 H 1 3.942 . . . . . . B 116 SER HB2 . 19248 1 129 . 2 2 11 11 SER HB3 H 1 3.858 . . . . . . B 116 SER HB3 . 19248 1 130 . 2 2 11 11 SER CA C 13 58.803 . . . . . . B 116 SER CA . 19248 1 131 . 2 2 11 11 SER CB C 13 63.984 . . . . . . B 116 SER CB . 19248 1 132 . 2 2 11 11 SER N N 15 116.657 . . . . . . B 116 SER N . 19248 1 133 . 2 2 12 12 ARG H H 1 8.205 . . . . . . B 117 ARG H . 19248 1 134 . 2 2 12 12 ARG HA H 1 4.451 . . . . . . B 117 ARG HA . 19248 1 135 . 2 2 12 12 ARG HB2 H 1 1.958 . . . . . . B 117 ARG HB2 . 19248 1 136 . 2 2 12 12 ARG HB3 H 1 1.778 . . . . . . B 117 ARG HB3 . 19248 1 137 . 2 2 12 12 ARG HG2 H 1 1.623 . . . . . . B 117 ARG HG2 . 19248 1 138 . 2 2 12 12 ARG HG3 H 1 1.623 . . . . . . B 117 ARG HG3 . 19248 1 139 . 2 2 12 12 ARG HD2 H 1 3.164 . . . . . . B 117 ARG HD2 . 19248 1 140 . 2 2 12 12 ARG HD3 H 1 3.164 . . . . . . B 117 ARG HD3 . 19248 1 141 . 2 2 12 12 ARG CA C 13 55.572 . . . . . . B 117 ARG CA . 19248 1 142 . 2 2 12 12 ARG CB C 13 31.660 . . . . . . B 117 ARG CB . 19248 1 143 . 2 2 12 12 ARG CG C 13 26.491 . . . . . . B 117 ARG CG . 19248 1 144 . 2 2 12 12 ARG CD C 13 43.114 . . . . . . B 117 ARG CD . 19248 1 145 . 2 2 12 12 ARG N N 15 121.211 . . . . . . B 117 ARG N . 19248 1 146 . 2 2 13 13 ARG H H 1 7.837 . . . . . . B 118 ARG H . 19248 1 147 . 2 2 13 13 ARG HA H 1 4.745 . . . . . . B 118 ARG HA . 19248 1 148 . 2 2 13 13 ARG HB2 H 1 1.506 . . . . . . B 118 ARG HB2 . 19248 1 149 . 2 2 13 13 ARG HB3 H 1 1.958 . . . . . . B 118 ARG HB3 . 19248 1 150 . 2 2 13 13 ARG HG2 H 1 1.382 . . . . . . B 118 ARG HG2 . 19248 1 151 . 2 2 13 13 ARG HG3 H 1 1.168 . . . . . . B 118 ARG HG3 . 19248 1 152 . 2 2 13 13 ARG HD2 H 1 2.329 . . . . . . B 118 ARG HD2 . 19248 1 153 . 2 2 13 13 ARG HD3 H 1 2.329 . . . . . . B 118 ARG HD3 . 19248 1 154 . 2 2 13 13 ARG HE H 1 8.703 . . . . . . B 118 ARG HE . 19248 1 155 . 2 2 13 13 ARG CA C 13 52.854 . . . . . . B 118 ARG CA . 19248 1 156 . 2 2 13 13 ARG CB C 13 30.855 . . . . . . B 118 ARG CB . 19248 1 157 . 2 2 13 13 ARG CG C 13 26.318 . . . . . . B 118 ARG CG . 19248 1 158 . 2 2 13 13 ARG CD C 13 39.483 . . . . . . B 118 ARG CD . 19248 1 159 . 2 2 13 13 ARG N N 15 117.218 . . . . . . B 118 ARG N . 19248 1 160 . 2 2 14 14 SER H H 1 8.847 . . . . . . B 119 SER H . 19248 1 161 . 2 2 14 14 SER HA H 1 4.733 . . . . . . B 119 SER HA . 19248 1 162 . 2 2 14 14 SER HB2 H 1 4.222 . . . . . . B 119 SER HB2 . 19248 1 163 . 2 2 14 14 SER HB3 H 1 3.822 . . . . . . B 119 SER HB3 . 19248 1 164 . 2 2 14 14 SER CA C 13 57.200 . . . . . . B 119 SER CA . 19248 1 165 . 2 2 14 14 SER CB C 13 67.159 . . . . . . B 119 SER CB . 19248 1 166 . 2 2 14 14 SER N N 15 117.295 . . . . . . B 119 SER N . 19248 1 167 . 2 2 15 15 GLU H H 1 8.548 . . . . . . B 120 GLU H . 19248 1 168 . 2 2 15 15 GLU HA H 1 4.493 . . . . . . B 120 GLU HA . 19248 1 169 . 2 2 15 15 GLU HB2 H 1 2.357 . . . . . . B 120 GLU HB2 . 19248 1 170 . 2 2 15 15 GLU HB3 H 1 1.990 . . . . . . B 120 GLU HB3 . 19248 1 171 . 2 2 15 15 GLU HG2 H 1 2.370 . . . . . . B 120 GLU HG2 . 19248 1 172 . 2 2 15 15 GLU HG3 H 1 2.300 . . . . . . B 120 GLU HG3 . 19248 1 173 . 2 2 15 15 GLU CA C 13 55.677 . . . . . . B 120 GLU CA . 19248 1 174 . 2 2 15 15 GLU CB C 13 29.663 . . . . . . B 120 GLU CB . 19248 1 175 . 2 2 15 15 GLU CG C 13 36.112 . . . . . . B 120 GLU CG . 19248 1 176 . 2 2 15 15 GLU N N 15 115.362 . . . . . . B 120 GLU N . 19248 1 177 . 2 2 16 16 ASN H H 1 8.360 . . . . . . B 121 ASN H . 19248 1 178 . 2 2 16 16 ASN HA H 1 5.159 . . . . . . B 121 ASN HA . 19248 1 179 . 2 2 16 16 ASN HB2 H 1 3.599 . . . . . . B 121 ASN HB2 . 19248 1 180 . 2 2 16 16 ASN HB3 H 1 2.773 . . . . . . B 121 ASN HB3 . 19248 1 181 . 2 2 16 16 ASN HD21 H 1 6.719 . . . . . . B 121 ASN HD21 . 19248 1 182 . 2 2 16 16 ASN HD22 H 1 7.056 . . . . . . B 121 ASN HD22 . 19248 1 183 . 2 2 16 16 ASN CA C 13 52.785 . . . . . . B 121 ASN CA . 19248 1 184 . 2 2 16 16 ASN CB C 13 37.049 . . . . . . B 121 ASN CB . 19248 1 185 . 2 2 16 16 ASN N N 15 120.690 . . . . . . B 121 ASN N . 19248 1 186 . 2 2 16 16 ASN ND2 N 15 113.658 . . . . . . B 121 ASN ND2 . 19248 1 187 . 2 2 17 17 ARG H H 1 7.887 . . . . . . B 122 ARG H . 19248 1 188 . 2 2 17 17 ARG HA H 1 5.517 . . . . . . B 122 ARG HA . 19248 1 189 . 2 2 17 17 ARG HB2 H 1 1.949 . . . . . . B 122 ARG HB2 . 19248 1 190 . 2 2 17 17 ARG HB3 H 1 1.835 . . . . . . B 122 ARG HB3 . 19248 1 191 . 2 2 17 17 ARG HG2 H 1 1.711 . . . . . . B 122 ARG HG2 . 19248 1 192 . 2 2 17 17 ARG HG3 H 1 1.643 . . . . . . B 122 ARG HG3 . 19248 1 193 . 2 2 17 17 ARG HD2 H 1 3.421 . . . . . . B 122 ARG HD2 . 19248 1 194 . 2 2 17 17 ARG HD3 H 1 3.421 . . . . . . B 122 ARG HD3 . 19248 1 195 . 2 2 17 17 ARG CA C 13 55.733 . . . . . . B 122 ARG CA . 19248 1 196 . 2 2 17 17 ARG CB C 13 34.350 . . . . . . B 122 ARG CB . 19248 1 197 . 2 2 17 17 ARG CG C 13 28.811 . . . . . . B 122 ARG CG . 19248 1 198 . 2 2 17 17 ARG CD C 13 43.618 . . . . . . B 122 ARG CD . 19248 1 199 . 2 2 17 17 ARG N N 15 123.985 . . . . . . B 122 ARG N . 19248 1 200 . 2 2 18 18 VAL H H 1 9.356 . . . . . . B 123 VAL H . 19248 1 201 . 2 2 18 18 VAL HA H 1 5.144 . . . . . . B 123 VAL HA . 19248 1 202 . 2 2 18 18 VAL HB H 1 2.306 . . . . . . B 123 VAL HB . 19248 1 203 . 2 2 18 18 VAL HG11 H 1 1.093 . . . . . . B 123 VAL HG11 . 19248 1 204 . 2 2 18 18 VAL HG12 H 1 1.093 . . . . . . B 123 VAL HG12 . 19248 1 205 . 2 2 18 18 VAL HG13 H 1 1.093 . . . . . . B 123 VAL HG13 . 19248 1 206 . 2 2 18 18 VAL HG21 H 1 1.004 . . . . . . B 123 VAL HG21 . 19248 1 207 . 2 2 18 18 VAL HG22 H 1 1.004 . . . . . . B 123 VAL HG22 . 19248 1 208 . 2 2 18 18 VAL HG23 H 1 1.004 . . . . . . B 123 VAL HG23 . 19248 1 209 . 2 2 18 18 VAL CA C 13 59.181 . . . . . . B 123 VAL CA . 19248 1 210 . 2 2 18 18 VAL CB C 13 34.248 . . . . . . B 123 VAL CB . 19248 1 211 . 2 2 18 18 VAL CG1 C 13 21.114 . . . . . . B 123 VAL CG1 . 19248 1 212 . 2 2 18 18 VAL CG2 C 13 23.140 . . . . . . B 123 VAL CG2 . 19248 1 213 . 2 2 18 18 VAL N N 15 118.617 . . . . . . B 123 VAL N . 19248 1 214 . 2 2 19 19 VAL H H 1 9.319 . . . . . . B 124 VAL H . 19248 1 215 . 2 2 19 19 VAL HA H 1 5.145 . . . . . . B 124 VAL HA . 19248 1 216 . 2 2 19 19 VAL HB H 1 2.105 . . . . . . B 124 VAL HB . 19248 1 217 . 2 2 19 19 VAL HG11 H 1 1.106 . . . . . . B 124 VAL HG11 . 19248 1 218 . 2 2 19 19 VAL HG12 H 1 1.106 . . . . . . B 124 VAL HG12 . 19248 1 219 . 2 2 19 19 VAL HG13 H 1 1.106 . . . . . . B 124 VAL HG13 . 19248 1 220 . 2 2 19 19 VAL HG21 H 1 0.996 . . . . . . B 124 VAL HG21 . 19248 1 221 . 2 2 19 19 VAL HG22 H 1 0.996 . . . . . . B 124 VAL HG22 . 19248 1 222 . 2 2 19 19 VAL HG23 H 1 0.996 . . . . . . B 124 VAL HG23 . 19248 1 223 . 2 2 19 19 VAL CA C 13 60.524 . . . . . . B 124 VAL CA . 19248 1 224 . 2 2 19 19 VAL CB C 13 34.208 . . . . . . B 124 VAL CB . 19248 1 225 . 2 2 19 19 VAL CG1 C 13 21.038 . . . . . . B 124 VAL CG1 . 19248 1 226 . 2 2 19 19 VAL CG2 C 13 23.101 . . . . . . B 124 VAL CG2 . 19248 1 227 . 2 2 19 19 VAL N N 15 120.579 . . . . . . B 124 VAL N . 19248 1 228 . 2 2 20 20 VAL H H 1 8.873 . . . . . . B 125 VAL H . 19248 1 229 . 2 2 20 20 VAL HA H 1 5.559 . . . . . . B 125 VAL HA . 19248 1 230 . 2 2 20 20 VAL HB H 1 1.756 . . . . . . B 125 VAL HB . 19248 1 231 . 2 2 20 20 VAL HG11 H 1 1.010 . . . . . . B 125 VAL HG11 . 19248 1 232 . 2 2 20 20 VAL HG12 H 1 1.010 . . . . . . B 125 VAL HG12 . 19248 1 233 . 2 2 20 20 VAL HG13 H 1 1.010 . . . . . . B 125 VAL HG13 . 19248 1 234 . 2 2 20 20 VAL HG21 H 1 0.951 . . . . . . B 125 VAL HG21 . 19248 1 235 . 2 2 20 20 VAL HG22 H 1 0.951 . . . . . . B 125 VAL HG22 . 19248 1 236 . 2 2 20 20 VAL HG23 H 1 0.951 . . . . . . B 125 VAL HG23 . 19248 1 237 . 2 2 20 20 VAL CA C 13 59.458 . . . . . . B 125 VAL CA . 19248 1 238 . 2 2 20 20 VAL N N 15 125.776 . . . . . . B 125 VAL N . 19248 1 239 . 2 2 21 21 SER H H 1 9.078 . . . . . . B 126 SER H . 19248 1 240 . 2 2 21 21 SER HA H 1 5.260 . . . . . . B 126 SER HA . 19248 1 241 . 2 2 21 21 SER HB2 H 1 3.999 . . . . . . B 126 SER HB2 . 19248 1 242 . 2 2 21 21 SER HB3 H 1 3.862 . . . . . . B 126 SER HB3 . 19248 1 243 . 2 2 21 21 SER CA C 13 57.085 . . . . . . B 126 SER CA . 19248 1 244 . 2 2 21 21 SER CB C 13 66.140 . . . . . . B 126 SER CB . 19248 1 245 . 2 2 21 21 SER N N 15 118.064 . . . . . . B 126 SER N . 19248 1 246 . 2 2 22 22 GLY H H 1 8.232 . . . . . . B 127 GLY H . 19248 1 247 . 2 2 22 22 GLY HA2 H 1 4.525 . . . . . . B 127 GLY HA2 . 19248 1 248 . 2 2 22 22 GLY HA3 H 1 3.848 . . . . . . B 127 GLY HA3 . 19248 1 249 . 2 2 22 22 GLY N N 15 108.397 . . . . . . B 127 GLY N . 19248 1 250 . 2 2 23 23 LEU H H 1 8.532 . . . . . . B 128 LEU H . 19248 1 251 . 2 2 23 23 LEU HA H 1 3.660 . . . . . . B 128 LEU HA . 19248 1 252 . 2 2 23 23 LEU HB2 H 1 1.456 . . . . . . B 128 LEU HB2 . 19248 1 253 . 2 2 23 23 LEU HB3 H 1 1.077 . . . . . . B 128 LEU HB3 . 19248 1 254 . 2 2 23 23 LEU HG H 1 1.140 . . . . . . B 128 LEU HG . 19248 1 255 . 2 2 23 23 LEU HD11 H 1 -0.120 . . . . . . B 128 LEU HD11 . 19248 1 256 . 2 2 23 23 LEU HD12 H 1 -0.120 . . . . . . B 128 LEU HD12 . 19248 1 257 . 2 2 23 23 LEU HD13 H 1 -0.120 . . . . . . B 128 LEU HD13 . 19248 1 258 . 2 2 23 23 LEU HD21 H 1 0.519 . . . . . . B 128 LEU HD21 . 19248 1 259 . 2 2 23 23 LEU HD22 H 1 0.519 . . . . . . B 128 LEU HD22 . 19248 1 260 . 2 2 23 23 LEU HD23 H 1 0.519 . . . . . . B 128 LEU HD23 . 19248 1 261 . 2 2 23 23 LEU CA C 13 53.752 . . . . . . B 128 LEU CA . 19248 1 262 . 2 2 23 23 LEU CB C 13 40.915 . . . . . . B 128 LEU CB . 19248 1 263 . 2 2 23 23 LEU CG C 13 27.214 . . . . . . B 128 LEU CG . 19248 1 264 . 2 2 23 23 LEU CD1 C 13 23.537 . . . . . . B 128 LEU CD1 . 19248 1 265 . 2 2 23 23 LEU CD2 C 13 25.959 . . . . . . B 128 LEU CD2 . 19248 1 266 . 2 2 23 23 LEU N N 15 119.218 . . . . . . B 128 LEU N . 19248 1 267 . 2 2 24 24 PRO HD3 H 1 3.334 . . . . . . B 129 PRO HD3 . 19248 1 268 . 2 2 25 25 PRO HA H 1 4.445 . . . . . . B 130 PRO HA . 19248 1 269 . 2 2 25 25 PRO HB2 H 1 2.153 . . . . . . B 130 PRO HB2 . 19248 1 270 . 2 2 25 25 PRO HB3 H 1 2.503 . . . . . . B 130 PRO HB3 . 19248 1 271 . 2 2 25 25 PRO HG2 H 1 2.370 . . . . . . B 130 PRO HG2 . 19248 1 272 . 2 2 25 25 PRO HG3 H 1 2.152 . . . . . . B 130 PRO HG3 . 19248 1 273 . 2 2 25 25 PRO HD2 H 1 3.976 . . . . . . B 130 PRO HD2 . 19248 1 274 . 2 2 25 25 PRO HD3 H 1 3.976 . . . . . . B 130 PRO HD3 . 19248 1 275 . 2 2 25 25 PRO CA C 13 65.695 . . . . . . B 130 PRO CA . 19248 1 276 . 2 2 25 25 PRO CB C 13 31.846 . . . . . . B 130 PRO CB . 19248 1 277 . 2 2 25 25 PRO CG C 13 27.865 . . . . . . B 130 PRO CG . 19248 1 278 . 2 2 25 25 PRO CD C 13 50.813 . . . . . . B 130 PRO CD . 19248 1 279 . 2 2 26 26 SER H H 1 7.452 . . . . . . B 131 SER H . 19248 1 280 . 2 2 26 26 SER HA H 1 4.517 . . . . . . B 131 SER HA . 19248 1 281 . 2 2 26 26 SER HB2 H 1 3.967 . . . . . . B 131 SER HB2 . 19248 1 282 . 2 2 26 26 SER HB3 H 1 3.880 . . . . . . B 131 SER HB3 . 19248 1 283 . 2 2 26 26 SER CA C 13 58.150 . . . . . . B 131 SER CA . 19248 1 284 . 2 2 26 26 SER CB C 13 63.944 . . . . . . B 131 SER CB . 19248 1 285 . 2 2 26 26 SER N N 15 106.337 . . . . . . B 131 SER N . 19248 1 286 . 2 2 27 27 GLY H H 1 8.279 . . . . . . B 132 GLY H . 19248 1 287 . 2 2 27 27 GLY HA2 H 1 4.711 . . . . . . B 132 GLY HA2 . 19248 1 288 . 2 2 27 27 GLY HA3 H 1 3.359 . . . . . . B 132 GLY HA3 . 19248 1 289 . 2 2 27 27 GLY CA C 13 47.162 . . . . . . B 132 GLY CA . 19248 1 290 . 2 2 27 27 GLY N N 15 107.761 . . . . . . B 132 GLY N . 19248 1 291 . 2 2 28 28 SER H H 1 8.760 . . . . . . B 133 SER H . 19248 1 292 . 2 2 28 28 SER HA H 1 5.073 . . . . . . B 133 SER HA . 19248 1 293 . 2 2 28 28 SER HB2 H 1 4.257 . . . . . . B 133 SER HB2 . 19248 1 294 . 2 2 28 28 SER HB3 H 1 4.107 . . . . . . B 133 SER HB3 . 19248 1 295 . 2 2 28 28 SER CA C 13 55.741 . . . . . . B 133 SER CA . 19248 1 296 . 2 2 28 28 SER CB C 13 67.424 . . . . . . B 133 SER CB . 19248 1 297 . 2 2 28 28 SER N N 15 122.749 . . . . . . B 133 SER N . 19248 1 298 . 2 2 29 29 TRP H H 1 8.888 . . . . . . B 134 TRP H . 19248 1 299 . 2 2 29 29 TRP HA H 1 4.080 . . . . . . B 134 TRP HA . 19248 1 300 . 2 2 29 29 TRP HB2 H 1 3.245 . . . . . . B 134 TRP HB2 . 19248 1 301 . 2 2 29 29 TRP HB3 H 1 3.153 . . . . . . B 134 TRP HB3 . 19248 1 302 . 2 2 29 29 TRP HD1 H 1 7.423 . . . . . . B 134 TRP HD1 . 19248 1 303 . 2 2 29 29 TRP HE1 H 1 9.749 . . . . . . B 134 TRP HE1 . 19248 1 304 . 2 2 29 29 TRP HE3 H 1 6.606 . . . . . . B 134 TRP HE3 . 19248 1 305 . 2 2 29 29 TRP HZ2 H 1 6.756 . . . . . . B 134 TRP HZ2 . 19248 1 306 . 2 2 29 29 TRP HZ3 H 1 5.957 . . . . . . B 134 TRP HZ3 . 19248 1 307 . 2 2 29 29 TRP HH2 H 1 5.843 . . . . . . B 134 TRP HH2 . 19248 1 308 . 2 2 29 29 TRP CA C 13 60.619 . . . . . . B 134 TRP CA . 19248 1 309 . 2 2 29 29 TRP CB C 13 27.793 . . . . . . B 134 TRP CB . 19248 1 310 . 2 2 29 29 TRP CD1 C 13 129.418 . . . . . . B 134 TRP CD1 . 19248 1 311 . 2 2 29 29 TRP CE3 C 13 119.685 . . . . . . B 134 TRP CE3 . 19248 1 312 . 2 2 29 29 TRP CZ2 C 13 114.436 . . . . . . B 134 TRP CZ2 . 19248 1 313 . 2 2 29 29 TRP CZ3 C 13 120.086 . . . . . . B 134 TRP CZ3 . 19248 1 314 . 2 2 29 29 TRP CH2 C 13 121.566 . . . . . . B 134 TRP CH2 . 19248 1 315 . 2 2 29 29 TRP N N 15 119.608 . . . . . . B 134 TRP N . 19248 1 316 . 2 2 29 29 TRP NE1 N 15 129.630 . . . . . . B 134 TRP NE1 . 19248 1 317 . 2 2 30 30 GLN H H 1 7.603 . . . . . . B 135 GLN H . 19248 1 318 . 2 2 30 30 GLN HA H 1 2.509 . . . . . . B 135 GLN HA . 19248 1 319 . 2 2 30 30 GLN HB2 H 1 0.944 . . . . . . B 135 GLN HB2 . 19248 1 320 . 2 2 30 30 GLN HB3 H 1 0.912 . . . . . . B 135 GLN HB3 . 19248 1 321 . 2 2 30 30 GLN HG2 H 1 0.529 . . . . . . B 135 GLN HG2 . 19248 1 322 . 2 2 30 30 GLN HG3 H 1 -1.395 . . . . . . B 135 GLN HG3 . 19248 1 323 . 2 2 30 30 GLN CA C 13 61.477 . . . . . . B 135 GLN CA . 19248 1 324 . 2 2 30 30 GLN CB C 13 26.307 . . . . . . B 135 GLN CB . 19248 1 325 . 2 2 30 30 GLN CG C 13 31.902 . . . . . . B 135 GLN CG . 19248 1 326 . 2 2 30 30 GLN N N 15 124.700 . . . . . . B 135 GLN N . 19248 1 327 . 2 2 31 31 ASP H H 1 7.501 . . . . . . B 136 ASP H . 19248 1 328 . 2 2 31 31 ASP HA H 1 4.266 . . . . . . B 136 ASP HA . 19248 1 329 . 2 2 31 31 ASP HB2 H 1 3.431 . . . . . . B 136 ASP HB2 . 19248 1 330 . 2 2 31 31 ASP HB3 H 1 2.973 . . . . . . B 136 ASP HB3 . 19248 1 331 . 2 2 31 31 ASP CA C 13 56.666 . . . . . . B 136 ASP CA . 19248 1 332 . 2 2 31 31 ASP CB C 13 42.236 . . . . . . B 136 ASP CB . 19248 1 333 . 2 2 31 31 ASP N N 15 118.297 . . . . . . B 136 ASP N . 19248 1 334 . 2 2 32 32 LEU H H 1 8.539 . . . . . . B 137 LEU H . 19248 1 335 . 2 2 32 32 LEU HA H 1 4.357 . . . . . . B 137 LEU HA . 19248 1 336 . 2 2 32 32 LEU HB2 H 1 2.013 . . . . . . B 137 LEU HB2 . 19248 1 337 . 2 2 32 32 LEU HB3 H 1 1.315 . . . . . . B 137 LEU HB3 . 19248 1 338 . 2 2 32 32 LEU HG H 1 0.760 . . . . . . B 137 LEU HG . 19248 1 339 . 2 2 32 32 LEU HD11 H 1 0.928 . . . . . . B 137 LEU HD11 . 19248 1 340 . 2 2 32 32 LEU HD12 H 1 0.928 . . . . . . B 137 LEU HD12 . 19248 1 341 . 2 2 32 32 LEU HD13 H 1 0.928 . . . . . . B 137 LEU HD13 . 19248 1 342 . 2 2 32 32 LEU HD21 H 1 0.501 . . . . . . B 137 LEU HD21 . 19248 1 343 . 2 2 32 32 LEU HD22 H 1 0.501 . . . . . . B 137 LEU HD22 . 19248 1 344 . 2 2 32 32 LEU HD23 H 1 0.501 . . . . . . B 137 LEU HD23 . 19248 1 345 . 2 2 32 32 LEU CA C 13 58.041 . . . . . . B 137 LEU CA . 19248 1 346 . 2 2 32 32 LEU CB C 13 42.037 . . . . . . B 137 LEU CB . 19248 1 347 . 2 2 32 32 LEU CG C 13 26.898 . . . . . . B 137 LEU CG . 19248 1 348 . 2 2 32 32 LEU CD1 C 13 23.628 . . . . . . B 137 LEU CD1 . 19248 1 349 . 2 2 32 32 LEU CD2 C 13 25.957 . . . . . . B 137 LEU CD2 . 19248 1 350 . 2 2 32 32 LEU N N 15 122.090 . . . . . . B 137 LEU N . 19248 1 351 . 2 2 33 33 LYS H H 1 8.806 . . . . . . B 138 LYS H . 19248 1 352 . 2 2 33 33 LYS HA H 1 3.599 . . . . . . B 138 LYS HA . 19248 1 353 . 2 2 33 33 LYS HB2 H 1 2.166 . . . . . . B 138 LYS HB2 . 19248 1 354 . 2 2 33 33 LYS HB3 H 1 1.991 . . . . . . B 138 LYS HB3 . 19248 1 355 . 2 2 33 33 LYS HG2 H 1 1.410 . . . . . . B 138 LYS HG2 . 19248 1 356 . 2 2 33 33 LYS HG3 H 1 1.410 . . . . . . B 138 LYS HG3 . 19248 1 357 . 2 2 33 33 LYS HD2 H 1 1.496 . . . . . . B 138 LYS HD2 . 19248 1 358 . 2 2 33 33 LYS HD3 H 1 1.395 . . . . . . B 138 LYS HD3 . 19248 1 359 . 2 2 33 33 LYS HE2 H 1 3.431 . . . . . . B 138 LYS HE2 . 19248 1 360 . 2 2 33 33 LYS HE3 H 1 3.431 . . . . . . B 138 LYS HE3 . 19248 1 361 . 2 2 33 33 LYS CA C 13 62.299 . . . . . . B 138 LYS CA . 19248 1 362 . 2 2 33 33 LYS CB C 13 33.292 . . . . . . B 138 LYS CB . 19248 1 363 . 2 2 33 33 LYS CG C 13 24.080 . . . . . . B 138 LYS CG . 19248 1 364 . 2 2 33 33 LYS CD C 13 28.093 . . . . . . B 138 LYS CD . 19248 1 365 . 2 2 33 33 LYS CE C 13 43.768 . . . . . . B 138 LYS CE . 19248 1 366 . 2 2 33 33 LYS N N 15 122.561 . . . . . . B 138 LYS N . 19248 1 367 . 2 2 34 34 ASP H H 1 8.260 . . . . . . B 139 ASP H . 19248 1 368 . 2 2 34 34 ASP HA H 1 4.490 . . . . . . B 139 ASP HA . 19248 1 369 . 2 2 34 34 ASP HB2 H 1 3.026 . . . . . . B 139 ASP HB2 . 19248 1 370 . 2 2 34 34 ASP HB3 H 1 2.869 . . . . . . B 139 ASP HB3 . 19248 1 371 . 2 2 34 34 ASP CA C 13 57.599 . . . . . . B 139 ASP CA . 19248 1 372 . 2 2 34 34 ASP CB C 13 40.039 . . . . . . B 139 ASP CB . 19248 1 373 . 2 2 34 34 ASP N N 15 115.964 . . . . . . B 139 ASP N . 19248 1 374 . 2 2 35 35 HIS H H 1 8.077 . . . . . . B 140 HIS H . 19248 1 375 . 2 2 35 35 HIS HA H 1 4.342 . . . . . . B 140 HIS HA . 19248 1 376 . 2 2 35 35 HIS HB2 H 1 3.435 . . . . . . B 140 HIS HB2 . 19248 1 377 . 2 2 35 35 HIS HB3 H 1 3.398 . . . . . . B 140 HIS HB3 . 19248 1 378 . 2 2 35 35 HIS HD2 H 1 6.989 . . . . . . B 140 HIS HD2 . 19248 1 379 . 2 2 35 35 HIS HE1 H 1 7.927 . . . . . . B 140 HIS HE1 . 19248 1 380 . 2 2 35 35 HIS CA C 13 60.328 . . . . . . B 140 HIS CA . 19248 1 381 . 2 2 35 35 HIS CB C 13 32.864 . . . . . . B 140 HIS CB . 19248 1 382 . 2 2 35 35 HIS CD2 C 13 117.915 . . . . . . B 140 HIS CD2 . 19248 1 383 . 2 2 35 35 HIS CE1 C 13 140.075 . . . . . . B 140 HIS CE1 . 19248 1 384 . 2 2 35 35 HIS N N 15 119.340 . . . . . . B 140 HIS N . 19248 1 385 . 2 2 36 36 MET H H 1 8.201 . . . . . . B 141 MET H . 19248 1 386 . 2 2 36 36 MET HA H 1 4.713 . . . . . . B 141 MET HA . 19248 1 387 . 2 2 36 36 MET HB2 H 1 2.261 . . . . . . B 141 MET HB2 . 19248 1 388 . 2 2 36 36 MET HB3 H 1 2.148 . . . . . . B 141 MET HB3 . 19248 1 389 . 2 2 36 36 MET HG2 H 1 3.091 . . . . . . B 141 MET HG2 . 19248 1 390 . 2 2 36 36 MET HG3 H 1 2.878 . . . . . . B 141 MET HG3 . 19248 1 391 . 2 2 36 36 MET HE1 H 1 2.158 . . . . . . B 141 MET HE1 . 19248 1 392 . 2 2 36 36 MET HE2 H 1 2.158 . . . . . . B 141 MET HE2 . 19248 1 393 . 2 2 36 36 MET HE3 H 1 2.158 . . . . . . B 141 MET HE3 . 19248 1 394 . 2 2 36 36 MET CA C 13 55.560 . . . . . . B 141 MET CA . 19248 1 395 . 2 2 36 36 MET CB C 13 31.867 . . . . . . B 141 MET CB . 19248 1 396 . 2 2 36 36 MET CG C 13 33.954 . . . . . . B 141 MET CG . 19248 1 397 . 2 2 36 36 MET CE C 13 18.243 . . . . . . B 141 MET CE . 19248 1 398 . 2 2 36 36 MET N N 15 112.497 . . . . . . B 141 MET N . 19248 1 399 . 2 2 37 37 ARG H H 1 8.079 . . . . . . B 142 ARG H . 19248 1 400 . 2 2 37 37 ARG HA H 1 5.008 . . . . . . B 142 ARG HA . 19248 1 401 . 2 2 37 37 ARG HB2 H 1 2.201 . . . . . . B 142 ARG HB2 . 19248 1 402 . 2 2 37 37 ARG HB3 H 1 2.031 . . . . . . B 142 ARG HB3 . 19248 1 403 . 2 2 37 37 ARG HD2 H 1 3.447 . . . . . . B 142 ARG HD2 . 19248 1 404 . 2 2 37 37 ARG HD3 H 1 3.447 . . . . . . B 142 ARG HD3 . 19248 1 405 . 2 2 37 37 ARG HE H 1 7.540 . . . . . . B 142 ARG HE . 19248 1 406 . 2 2 37 37 ARG CA C 13 58.428 . . . . . . B 142 ARG CA . 19248 1 407 . 2 2 37 37 ARG CB C 13 30.114 . . . . . . B 142 ARG CB . 19248 1 408 . 2 2 37 37 ARG CD C 13 43.871 . . . . . . B 142 ARG CD . 19248 1 409 . 2 2 37 37 ARG N N 15 119.681 . . . . . . B 142 ARG N . 19248 1 410 . 2 2 37 37 ARG NE N 15 85.249 . . . . . . B 142 ARG NE . 19248 1 411 . 2 2 38 38 GLU H H 1 7.375 . . . . . . B 143 GLU H . 19248 1 412 . 2 2 38 38 GLU HA H 1 4.226 . . . . . . B 143 GLU HA . 19248 1 413 . 2 2 38 38 GLU HB2 H 1 2.252 . . . . . . B 143 GLU HB2 . 19248 1 414 . 2 2 38 38 GLU HB3 H 1 2.052 . . . . . . B 143 GLU HB3 . 19248 1 415 . 2 2 38 38 GLU HG2 H 1 2.496 . . . . . . B 143 GLU HG2 . 19248 1 416 . 2 2 38 38 GLU HG3 H 1 2.378 . . . . . . B 143 GLU HG3 . 19248 1 417 . 2 2 38 38 GLU CA C 13 58.650 . . . . . . B 143 GLU CA . 19248 1 418 . 2 2 38 38 GLU CB C 13 30.092 . . . . . . B 143 GLU CB . 19248 1 419 . 2 2 38 38 GLU CG C 13 36.190 . . . . . . B 143 GLU CG . 19248 1 420 . 2 2 38 38 GLU N N 15 118.084 . . . . . . B 143 GLU N . 19248 1 421 . 2 2 39 39 ALA H H 1 8.178 . . . . . . B 144 ALA H . 19248 1 422 . 2 2 39 39 ALA HA H 1 4.445 . . . . . . B 144 ALA HA . 19248 1 423 . 2 2 39 39 ALA HB1 H 1 1.608 . . . . . . B 144 ALA HB1 . 19248 1 424 . 2 2 39 39 ALA HB2 H 1 1.608 . . . . . . B 144 ALA HB2 . 19248 1 425 . 2 2 39 39 ALA HB3 H 1 1.608 . . . . . . B 144 ALA HB3 . 19248 1 426 . 2 2 39 39 ALA CA C 13 52.576 . . . . . . B 144 ALA CA . 19248 1 427 . 2 2 39 39 ALA CB C 13 20.587 . . . . . . B 144 ALA CB . 19248 1 428 . 2 2 39 39 ALA N N 15 117.939 . . . . . . B 144 ALA N . 19248 1 429 . 2 2 40 40 GLY H H 1 7.453 . . . . . . B 145 GLY H . 19248 1 430 . 2 2 40 40 GLY HA2 H 1 4.595 . . . . . . B 145 GLY HA2 . 19248 1 431 . 2 2 40 40 GLY HA3 H 1 3.861 . . . . . . B 145 GLY HA3 . 19248 1 432 . 2 2 40 40 GLY CA C 13 44.483 . . . . . . B 145 GLY CA . 19248 1 433 . 2 2 40 40 GLY N N 15 103.057 . . . . . . B 145 GLY N . 19248 1 434 . 2 2 41 41 ASP H H 1 7.980 . . . . . . B 146 ASP H . 19248 1 435 . 2 2 41 41 ASP HA H 1 4.737 . . . . . . B 146 ASP HA . 19248 1 436 . 2 2 41 41 ASP HB2 H 1 2.850 . . . . . . B 146 ASP HB2 . 19248 1 437 . 2 2 41 41 ASP HB3 H 1 2.811 . . . . . . B 146 ASP HB3 . 19248 1 438 . 2 2 41 41 ASP CA C 13 56.040 . . . . . . B 146 ASP CA . 19248 1 439 . 2 2 41 41 ASP CB C 13 40.855 . . . . . . B 146 ASP CB . 19248 1 440 . 2 2 41 41 ASP N N 15 116.309 . . . . . . B 146 ASP N . 19248 1 441 . 2 2 42 42 VAL H H 1 8.368 . . . . . . B 147 VAL H . 19248 1 442 . 2 2 42 42 VAL HA H 1 4.226 . . . . . . B 147 VAL HA . 19248 1 443 . 2 2 42 42 VAL HB H 1 1.895 . . . . . . B 147 VAL HB . 19248 1 444 . 2 2 42 42 VAL HG11 H 1 0.791 . . . . . . B 147 VAL HG11 . 19248 1 445 . 2 2 42 42 VAL HG12 H 1 0.791 . . . . . . B 147 VAL HG12 . 19248 1 446 . 2 2 42 42 VAL HG13 H 1 0.791 . . . . . . B 147 VAL HG13 . 19248 1 447 . 2 2 42 42 VAL HG21 H 1 0.768 . . . . . . B 147 VAL HG21 . 19248 1 448 . 2 2 42 42 VAL HG22 H 1 0.768 . . . . . . B 147 VAL HG22 . 19248 1 449 . 2 2 42 42 VAL HG23 H 1 0.768 . . . . . . B 147 VAL HG23 . 19248 1 450 . 2 2 42 42 VAL CA C 13 61.320 . . . . . . B 147 VAL CA . 19248 1 451 . 2 2 42 42 VAL CB C 13 34.232 . . . . . . B 147 VAL CB . 19248 1 452 . 2 2 42 42 VAL CG1 C 13 21.792 . . . . . . B 147 VAL CG1 . 19248 1 453 . 2 2 42 42 VAL CG2 C 13 24.036 . . . . . . B 147 VAL CG2 . 19248 1 454 . 2 2 42 42 VAL N N 15 127.193 . . . . . . B 147 VAL N . 19248 1 455 . 2 2 43 43 CYS H H 1 8.992 . . . . . . B 148 CYS H . 19248 1 456 . 2 2 43 43 CYS HA H 1 5.027 . . . . . . B 148 CYS HA . 19248 1 457 . 2 2 43 43 CYS HB2 H 1 3.281 . . . . . . B 148 CYS HB2 . 19248 1 458 . 2 2 43 43 CYS HB3 H 1 2.700 . . . . . . B 148 CYS HB3 . 19248 1 459 . 2 2 43 43 CYS CA C 13 57.647 . . . . . . B 148 CYS CA . 19248 1 460 . 2 2 43 43 CYS CB C 13 29.449 . . . . . . B 148 CYS CB . 19248 1 461 . 2 2 43 43 CYS N N 15 122.160 . . . . . . B 148 CYS N . 19248 1 462 . 2 2 44 44 TYR H H 1 7.544 . . . . . . B 149 TYR H . 19248 1 463 . 2 2 44 44 TYR HA H 1 4.703 . . . . . . B 149 TYR HA . 19248 1 464 . 2 2 44 44 TYR HB2 H 1 3.345 . . . . . . B 149 TYR HB2 . 19248 1 465 . 2 2 44 44 TYR HB3 H 1 2.583 . . . . . . B 149 TYR HB3 . 19248 1 466 . 2 2 44 44 TYR HD1 H 1 6.545 . . . . . . B 149 TYR HD1 . 19248 1 467 . 2 2 44 44 TYR HD2 H 1 6.545 . . . . . . B 149 TYR HD2 . 19248 1 468 . 2 2 44 44 TYR HE1 H 1 6.213 . . . . . . B 149 TYR HE1 . 19248 1 469 . 2 2 44 44 TYR HE2 H 1 6.213 . . . . . . B 149 TYR HE2 . 19248 1 470 . 2 2 44 44 TYR CA C 13 58.964 . . . . . . B 149 TYR CA . 19248 1 471 . 2 2 44 44 TYR CB C 13 43.189 . . . . . . B 149 TYR CB . 19248 1 472 . 2 2 44 44 TYR CD1 C 13 132.509 . . . . . . B 149 TYR CD1 . 19248 1 473 . 2 2 44 44 TYR CE1 C 13 117.523 . . . . . . B 149 TYR CE1 . 19248 1 474 . 2 2 44 44 TYR N N 15 121.200 . . . . . . B 149 TYR N . 19248 1 475 . 2 2 45 45 ALA H H 1 8.102 . . . . . . B 150 ALA H . 19248 1 476 . 2 2 45 45 ALA HA H 1 5.349 . . . . . . B 150 ALA HA . 19248 1 477 . 2 2 45 45 ALA HB1 H 1 1.419 . . . . . . B 150 ALA HB1 . 19248 1 478 . 2 2 45 45 ALA HB2 H 1 1.419 . . . . . . B 150 ALA HB2 . 19248 1 479 . 2 2 45 45 ALA HB3 H 1 1.419 . . . . . . B 150 ALA HB3 . 19248 1 480 . 2 2 45 45 ALA CA C 13 50.448 . . . . . . B 150 ALA CA . 19248 1 481 . 2 2 45 45 ALA CB C 13 24.101 . . . . . . B 150 ALA CB . 19248 1 482 . 2 2 45 45 ALA N N 15 127.204 . . . . . . B 150 ALA N . 19248 1 483 . 2 2 46 46 ASP H H 1 9.076 . . . . . . B 151 ASP H . 19248 1 484 . 2 2 46 46 ASP HA H 1 5.110 . . . . . . B 151 ASP HA . 19248 1 485 . 2 2 46 46 ASP HB2 H 1 2.395 . . . . . . B 151 ASP HB2 . 19248 1 486 . 2 2 46 46 ASP HB3 H 1 2.395 . . . . . . B 151 ASP HB3 . 19248 1 487 . 2 2 46 46 ASP CA C 13 53.690 . . . . . . B 151 ASP CA . 19248 1 488 . 2 2 46 46 ASP CB C 13 45.105 . . . . . . B 151 ASP CB . 19248 1 489 . 2 2 46 46 ASP N N 15 121.357 . . . . . . B 151 ASP N . 19248 1 490 . 2 2 47 47 VAL H H 1 8.129 . . . . . . B 152 VAL H . 19248 1 491 . 2 2 47 47 VAL HA H 1 4.503 . . . . . . B 152 VAL HA . 19248 1 492 . 2 2 47 47 VAL HB H 1 2.010 . . . . . . B 152 VAL HB . 19248 1 493 . 2 2 47 47 VAL HG11 H 1 0.843 . . . . . . B 152 VAL HG11 . 19248 1 494 . 2 2 47 47 VAL HG12 H 1 0.843 . . . . . . B 152 VAL HG12 . 19248 1 495 . 2 2 47 47 VAL HG13 H 1 0.843 . . . . . . B 152 VAL HG13 . 19248 1 496 . 2 2 47 47 VAL HG21 H 1 0.879 . . . . . . B 152 VAL HG21 . 19248 1 497 . 2 2 47 47 VAL HG22 H 1 0.879 . . . . . . B 152 VAL HG22 . 19248 1 498 . 2 2 47 47 VAL HG23 H 1 0.879 . . . . . . B 152 VAL HG23 . 19248 1 499 . 2 2 47 47 VAL CA C 13 60.890 . . . . . . B 152 VAL CA . 19248 1 500 . 2 2 47 47 VAL CB C 13 35.165 . . . . . . B 152 VAL CB . 19248 1 501 . 2 2 47 47 VAL CG1 C 13 21.071 . . . . . . B 152 VAL CG1 . 19248 1 502 . 2 2 47 47 VAL CG2 C 13 22.084 . . . . . . B 152 VAL CG2 . 19248 1 503 . 2 2 47 47 VAL N N 15 115.500 . . . . . . B 152 VAL N . 19248 1 504 . 2 2 48 48 TYR H H 1 8.725 . . . . . . B 153 TYR H . 19248 1 505 . 2 2 48 48 TYR HA H 1 5.117 . . . . . . B 153 TYR HA . 19248 1 506 . 2 2 48 48 TYR HB2 H 1 3.395 . . . . . . B 153 TYR HB2 . 19248 1 507 . 2 2 48 48 TYR HB3 H 1 3.087 . . . . . . B 153 TYR HB3 . 19248 1 508 . 2 2 48 48 TYR HD1 H 1 7.214 . . . . . . B 153 TYR HD1 . 19248 1 509 . 2 2 48 48 TYR HD2 H 1 7.214 . . . . . . B 153 TYR HD2 . 19248 1 510 . 2 2 48 48 TYR HE1 H 1 6.801 . . . . . . B 153 TYR HE1 . 19248 1 511 . 2 2 48 48 TYR HE2 H 1 6.801 . . . . . . B 153 TYR HE2 . 19248 1 512 . 2 2 48 48 TYR CA C 13 56.191 . . . . . . B 153 TYR CA . 19248 1 513 . 2 2 48 48 TYR CB C 13 38.856 . . . . . . B 153 TYR CB . 19248 1 514 . 2 2 48 48 TYR CD1 C 13 132.904 . . . . . . B 153 TYR CD1 . 19248 1 515 . 2 2 48 48 TYR CE1 C 13 118.056 . . . . . . B 153 TYR CE1 . 19248 1 516 . 2 2 48 48 TYR N N 15 124.079 . . . . . . B 153 TYR N . 19248 1 517 . 2 2 49 49 ARG H H 1 8.615 . . . . . . B 154 ARG H . 19248 1 518 . 2 2 49 49 ARG HA H 1 4.364 . . . . . . B 154 ARG HA . 19248 1 519 . 2 2 49 49 ARG HB2 H 1 2.178 . . . . . . B 154 ARG HB2 . 19248 1 520 . 2 2 49 49 ARG HB3 H 1 2.099 . . . . . . B 154 ARG HB3 . 19248 1 521 . 2 2 49 49 ARG HG2 H 1 1.853 . . . . . . B 154 ARG HG2 . 19248 1 522 . 2 2 49 49 ARG HG3 H 1 1.853 . . . . . . B 154 ARG HG3 . 19248 1 523 . 2 2 49 49 ARG HD2 H 1 3.383 . . . . . . B 154 ARG HD2 . 19248 1 524 . 2 2 49 49 ARG HD3 H 1 3.383 . . . . . . B 154 ARG HD3 . 19248 1 525 . 2 2 49 49 ARG CA C 13 58.000 . . . . . . B 154 ARG CA . 19248 1 526 . 2 2 49 49 ARG CB C 13 29.265 . . . . . . B 154 ARG CB . 19248 1 527 . 2 2 49 49 ARG CG C 13 27.422 . . . . . . B 154 ARG CG . 19248 1 528 . 2 2 49 49 ARG CD C 13 43.507 . . . . . . B 154 ARG CD . 19248 1 529 . 2 2 49 49 ARG N N 15 117.406 . . . . . . B 154 ARG N . 19248 1 530 . 2 2 50 50 ASP H H 1 8.163 . . . . . . B 155 ASP H . 19248 1 531 . 2 2 50 50 ASP HA H 1 4.750 . . . . . . B 155 ASP HA . 19248 1 532 . 2 2 50 50 ASP HB2 H 1 3.193 . . . . . . B 155 ASP HB2 . 19248 1 533 . 2 2 50 50 ASP HB3 H 1 2.663 . . . . . . B 155 ASP HB3 . 19248 1 534 . 2 2 50 50 ASP CA C 13 53.284 . . . . . . B 155 ASP CA . 19248 1 535 . 2 2 50 50 ASP CB C 13 40.656 . . . . . . B 155 ASP CB . 19248 1 536 . 2 2 50 50 ASP N N 15 117.615 . . . . . . B 155 ASP N . 19248 1 537 . 2 2 51 51 GLY H H 1 8.261 . . . . . . B 156 GLY H . 19248 1 538 . 2 2 51 51 GLY HA2 H 1 4.409 . . . . . . B 156 GLY HA2 . 19248 1 539 . 2 2 51 51 GLY HA3 H 1 3.883 . . . . . . B 156 GLY HA3 . 19248 1 540 . 2 2 51 51 GLY CA C 13 46.189 . . . . . . B 156 GLY CA . 19248 1 541 . 2 2 51 51 GLY N N 15 108.427 . . . . . . B 156 GLY N . 19248 1 542 . 2 2 52 52 THR H H 1 7.840 . . . . . . B 157 THR H . 19248 1 543 . 2 2 52 52 THR HA H 1 5.650 . . . . . . B 157 THR HA . 19248 1 544 . 2 2 52 52 THR HB H 1 4.466 . . . . . . B 157 THR HB . 19248 1 545 . 2 2 52 52 THR HG21 H 1 1.248 . . . . . . B 157 THR HG21 . 19248 1 546 . 2 2 52 52 THR HG22 H 1 1.248 . . . . . . B 157 THR HG22 . 19248 1 547 . 2 2 52 52 THR HG23 H 1 1.248 . . . . . . B 157 THR HG23 . 19248 1 548 . 2 2 52 52 THR CA C 13 60.114 . . . . . . B 157 THR CA . 19248 1 549 . 2 2 52 52 THR CB C 13 72.646 . . . . . . B 157 THR CB . 19248 1 550 . 2 2 52 52 THR CG2 C 13 21.750 . . . . . . B 157 THR CG2 . 19248 1 551 . 2 2 52 52 THR N N 15 110.409 . . . . . . B 157 THR N . 19248 1 552 . 2 2 53 53 GLY H H 1 8.901 . . . . . . B 158 GLY H . 19248 1 553 . 2 2 53 53 GLY HA2 H 1 4.511 . . . . . . B 158 GLY HA2 . 19248 1 554 . 2 2 53 53 GLY HA3 H 1 3.807 . . . . . . B 158 GLY HA3 . 19248 1 555 . 2 2 53 53 GLY CA C 13 46.059 . . . . . . B 158 GLY CA . 19248 1 556 . 2 2 53 53 GLY N N 15 106.068 . . . . . . B 158 GLY N . 19248 1 557 . 2 2 54 54 VAL H H 1 8.849 . . . . . . B 159 VAL H . 19248 1 558 . 2 2 54 54 VAL HA H 1 5.580 . . . . . . B 159 VAL HA . 19248 1 559 . 2 2 54 54 VAL HB H 1 2.163 . . . . . . B 159 VAL HB . 19248 1 560 . 2 2 54 54 VAL HG11 H 1 1.124 . . . . . . B 159 VAL HG11 . 19248 1 561 . 2 2 54 54 VAL HG12 H 1 1.124 . . . . . . B 159 VAL HG12 . 19248 1 562 . 2 2 54 54 VAL HG13 H 1 1.124 . . . . . . B 159 VAL HG13 . 19248 1 563 . 2 2 54 54 VAL CA C 13 59.766 . . . . . . B 159 VAL CA . 19248 1 564 . 2 2 54 54 VAL CB C 13 36.315 . . . . . . B 159 VAL CB . 19248 1 565 . 2 2 54 54 VAL CG1 C 13 20.930 . . . . . . B 159 VAL CG1 . 19248 1 566 . 2 2 54 54 VAL N N 15 116.514 . . . . . . B 159 VAL N . 19248 1 567 . 2 2 55 55 VAL H H 1 8.766 . . . . . . B 160 VAL H . 19248 1 568 . 2 2 55 55 VAL HA H 1 4.882 . . . . . . B 160 VAL HA . 19248 1 569 . 2 2 55 55 VAL HB H 1 1.927 . . . . . . B 160 VAL HB . 19248 1 570 . 2 2 55 55 VAL HG11 H 1 0.769 . . . . . . B 160 VAL HG11 . 19248 1 571 . 2 2 55 55 VAL HG12 H 1 0.769 . . . . . . B 160 VAL HG12 . 19248 1 572 . 2 2 55 55 VAL HG13 H 1 0.769 . . . . . . B 160 VAL HG13 . 19248 1 573 . 2 2 55 55 VAL HG21 H 1 0.610 . . . . . . B 160 VAL HG21 . 19248 1 574 . 2 2 55 55 VAL HG22 H 1 0.610 . . . . . . B 160 VAL HG22 . 19248 1 575 . 2 2 55 55 VAL HG23 H 1 0.610 . . . . . . B 160 VAL HG23 . 19248 1 576 . 2 2 55 55 VAL CA C 13 61.434 . . . . . . B 160 VAL CA . 19248 1 577 . 2 2 55 55 VAL CB C 13 35.118 . . . . . . B 160 VAL CB . 19248 1 578 . 2 2 55 55 VAL CG1 C 13 24.167 . . . . . . B 160 VAL CG1 . 19248 1 579 . 2 2 55 55 VAL CG2 C 13 23.110 . . . . . . B 160 VAL CG2 . 19248 1 580 . 2 2 55 55 VAL N N 15 121.538 . . . . . . B 160 VAL N . 19248 1 581 . 2 2 56 56 GLU H H 1 9.111 . . . . . . B 161 GLU H . 19248 1 582 . 2 2 56 56 GLU HA H 1 5.141 . . . . . . B 161 GLU HA . 19248 1 583 . 2 2 56 56 GLU HB2 H 1 2.131 . . . . . . B 161 GLU HB2 . 19248 1 584 . 2 2 56 56 GLU HB3 H 1 2.090 . . . . . . B 161 GLU HB3 . 19248 1 585 . 2 2 56 56 GLU HG2 H 1 2.247 . . . . . . B 161 GLU HG2 . 19248 1 586 . 2 2 56 56 GLU HG3 H 1 2.247 . . . . . . B 161 GLU HG3 . 19248 1 587 . 2 2 56 56 GLU CA C 13 54.320 . . . . . . B 161 GLU CA . 19248 1 588 . 2 2 56 56 GLU CB C 13 30.614 . . . . . . B 161 GLU CB . 19248 1 589 . 2 2 56 56 GLU CG C 13 35.292 . . . . . . B 161 GLU CG . 19248 1 590 . 2 2 56 56 GLU N N 15 125.091 . . . . . . B 161 GLU N . 19248 1 591 . 2 2 57 57 PHE H H 1 8.806 . . . . . . B 162 PHE H . 19248 1 592 . 2 2 57 57 PHE HA H 1 5.099 . . . . . . B 162 PHE HA . 19248 1 593 . 2 2 57 57 PHE HB2 H 1 3.845 . . . . . . B 162 PHE HB2 . 19248 1 594 . 2 2 57 57 PHE HB3 H 1 2.756 . . . . . . B 162 PHE HB3 . 19248 1 595 . 2 2 57 57 PHE HD1 H 1 7.274 . . . . . . B 162 PHE HD1 . 19248 1 596 . 2 2 57 57 PHE HD2 H 1 7.274 . . . . . . B 162 PHE HD2 . 19248 1 597 . 2 2 57 57 PHE HE1 H 1 7.152 . . . . . . B 162 PHE HE1 . 19248 1 598 . 2 2 57 57 PHE HE2 H 1 7.152 . . . . . . B 162 PHE HE2 . 19248 1 599 . 2 2 57 57 PHE HZ H 1 7.151 . . . . . . B 162 PHE HZ . 19248 1 600 . 2 2 57 57 PHE CA C 13 58.200 . . . . . . B 162 PHE CA . 19248 1 601 . 2 2 57 57 PHE CB C 13 42.066 . . . . . . B 162 PHE CB . 19248 1 602 . 2 2 57 57 PHE CD2 C 13 131.673 . . . . . . B 162 PHE CD2 . 19248 1 603 . 2 2 57 57 PHE CE2 C 13 131.532 . . . . . . B 162 PHE CE2 . 19248 1 604 . 2 2 57 57 PHE CZ C 13 129.605 . . . . . . B 162 PHE CZ . 19248 1 605 . 2 2 57 57 PHE N N 15 120.710 . . . . . . B 162 PHE N . 19248 1 606 . 2 2 58 58 VAL H H 1 8.265 . . . . . . B 163 VAL H . 19248 1 607 . 2 2 58 58 VAL HA H 1 3.763 . . . . . . B 163 VAL HA . 19248 1 608 . 2 2 58 58 VAL HB H 1 2.353 . . . . . . B 163 VAL HB . 19248 1 609 . 2 2 58 58 VAL HG11 H 1 1.053 . . . . . . B 163 VAL HG11 . 19248 1 610 . 2 2 58 58 VAL HG12 H 1 1.053 . . . . . . B 163 VAL HG12 . 19248 1 611 . 2 2 58 58 VAL HG13 H 1 1.053 . . . . . . B 163 VAL HG13 . 19248 1 612 . 2 2 58 58 VAL HG21 H 1 1.128 . . . . . . B 163 VAL HG21 . 19248 1 613 . 2 2 58 58 VAL HG22 H 1 1.128 . . . . . . B 163 VAL HG22 . 19248 1 614 . 2 2 58 58 VAL HG23 H 1 1.128 . . . . . . B 163 VAL HG23 . 19248 1 615 . 2 2 58 58 VAL CA C 13 67.190 . . . . . . B 163 VAL CA . 19248 1 616 . 2 2 58 58 VAL CB C 13 32.158 . . . . . . B 163 VAL CB . 19248 1 617 . 2 2 58 58 VAL CG1 C 13 23.529 . . . . . . B 163 VAL CG1 . 19248 1 618 . 2 2 58 58 VAL CG2 C 13 21.361 . . . . . . B 163 VAL CG2 . 19248 1 619 . 2 2 58 58 VAL N N 15 124.864 . . . . . . B 163 VAL N . 19248 1 620 . 2 2 59 59 ARG H H 1 9.697 . . . . . . B 164 ARG H . 19248 1 621 . 2 2 59 59 ARG HA H 1 4.910 . . . . . . B 164 ARG HA . 19248 1 622 . 2 2 59 59 ARG HB2 H 1 2.157 . . . . . . B 164 ARG HB2 . 19248 1 623 . 2 2 59 59 ARG HB3 H 1 1.964 . . . . . . B 164 ARG HB3 . 19248 1 624 . 2 2 59 59 ARG HG2 H 1 1.866 . . . . . . B 164 ARG HG2 . 19248 1 625 . 2 2 59 59 ARG HG3 H 1 1.804 . . . . . . B 164 ARG HG3 . 19248 1 626 . 2 2 59 59 ARG HD2 H 1 3.435 . . . . . . B 164 ARG HD2 . 19248 1 627 . 2 2 59 59 ARG HD3 H 1 3.362 . . . . . . B 164 ARG HD3 . 19248 1 628 . 2 2 59 59 ARG HE H 1 8.299 . . . . . . B 164 ARG HE . 19248 1 629 . 2 2 59 59 ARG CA C 13 54.822 . . . . . . B 164 ARG CA . 19248 1 630 . 2 2 59 59 ARG CB C 13 32.237 . . . . . . B 164 ARG CB . 19248 1 631 . 2 2 59 59 ARG CG C 13 27.245 . . . . . . B 164 ARG CG . 19248 1 632 . 2 2 59 59 ARG CD C 13 43.665 . . . . . . B 164 ARG CD . 19248 1 633 . 2 2 59 59 ARG N N 15 117.599 . . . . . . B 164 ARG N . 19248 1 634 . 2 2 59 59 ARG NE N 15 84.854 . . . . . . B 164 ARG NE . 19248 1 635 . 2 2 60 60 LYS H H 1 9.031 . . . . . . B 165 LYS H . 19248 1 636 . 2 2 60 60 LYS HA H 1 3.815 . . . . . . B 165 LYS HA . 19248 1 637 . 2 2 60 60 LYS HB2 H 1 2.008 . . . . . . B 165 LYS HB2 . 19248 1 638 . 2 2 60 60 LYS HB3 H 1 1.889 . . . . . . B 165 LYS HB3 . 19248 1 639 . 2 2 60 60 LYS HG2 H 1 1.539 . . . . . . B 165 LYS HG2 . 19248 1 640 . 2 2 60 60 LYS HG3 H 1 1.539 . . . . . . B 165 LYS HG3 . 19248 1 641 . 2 2 60 60 LYS HD2 H 1 1.821 . . . . . . B 165 LYS HD2 . 19248 1 642 . 2 2 60 60 LYS HD3 H 1 1.821 . . . . . . B 165 LYS HD3 . 19248 1 643 . 2 2 60 60 LYS HE2 H 1 3.108 . . . . . . B 165 LYS HE2 . 19248 1 644 . 2 2 60 60 LYS HE3 H 1 3.108 . . . . . . B 165 LYS HE3 . 19248 1 645 . 2 2 60 60 LYS CA C 13 60.223 . . . . . . B 165 LYS CA . 19248 1 646 . 2 2 60 60 LYS CB C 13 32.430 . . . . . . B 165 LYS CB . 19248 1 647 . 2 2 60 60 LYS CG C 13 24.944 . . . . . . B 165 LYS CG . 19248 1 648 . 2 2 60 60 LYS CD C 13 29.471 . . . . . . B 165 LYS CD . 19248 1 649 . 2 2 60 60 LYS CE C 13 42.362 . . . . . . B 165 LYS CE . 19248 1 650 . 2 2 60 60 LYS N N 15 126.669 . . . . . . B 165 LYS N . 19248 1 651 . 2 2 61 61 GLU H H 1 9.943 . . . . . . B 166 GLU H . 19248 1 652 . 2 2 61 61 GLU HA H 1 4.144 . . . . . . B 166 GLU HA . 19248 1 653 . 2 2 61 61 GLU HB2 H 1 2.070 . . . . . . B 166 GLU HB2 . 19248 1 654 . 2 2 61 61 GLU HB3 H 1 2.034 . . . . . . B 166 GLU HB3 . 19248 1 655 . 2 2 61 61 GLU HG2 H 1 2.511 . . . . . . B 166 GLU HG2 . 19248 1 656 . 2 2 61 61 GLU HG3 H 1 2.402 . . . . . . B 166 GLU HG3 . 19248 1 657 . 2 2 61 61 GLU CA C 13 59.976 . . . . . . B 166 GLU CA . 19248 1 658 . 2 2 61 61 GLU CB C 13 28.816 . . . . . . B 166 GLU CB . 19248 1 659 . 2 2 61 61 GLU CG C 13 36.799 . . . . . . B 166 GLU CG . 19248 1 660 . 2 2 61 61 GLU N N 15 118.278 . . . . . . B 166 GLU N . 19248 1 661 . 2 2 62 62 ASP H H 1 6.941 . . . . . . B 167 ASP H . 19248 1 662 . 2 2 62 62 ASP HA H 1 4.601 . . . . . . B 167 ASP HA . 19248 1 663 . 2 2 62 62 ASP HB2 H 1 2.956 . . . . . . B 167 ASP HB2 . 19248 1 664 . 2 2 62 62 ASP HB3 H 1 2.601 . . . . . . B 167 ASP HB3 . 19248 1 665 . 2 2 62 62 ASP CA C 13 56.621 . . . . . . B 167 ASP CA . 19248 1 666 . 2 2 62 62 ASP CB C 13 40.072 . . . . . . B 167 ASP CB . 19248 1 667 . 2 2 62 62 ASP N N 15 120.127 . . . . . . B 167 ASP N . 19248 1 668 . 2 2 63 63 MET H H 1 7.116 . . . . . . B 168 MET H . 19248 1 669 . 2 2 63 63 MET HA H 1 3.142 . . . . . . B 168 MET HA . 19248 1 670 . 2 2 63 63 MET HB2 H 1 2.476 . . . . . . B 168 MET HB2 . 19248 1 671 . 2 2 63 63 MET HB3 H 1 1.958 . . . . . . B 168 MET HB3 . 19248 1 672 . 2 2 63 63 MET HG2 H 1 2.454 . . . . . . B 168 MET HG2 . 19248 1 673 . 2 2 63 63 MET HG3 H 1 2.160 . . . . . . B 168 MET HG3 . 19248 1 674 . 2 2 63 63 MET HE1 H 1 2.233 . . . . . . B 168 MET HE1 . 19248 1 675 . 2 2 63 63 MET HE2 H 1 2.233 . . . . . . B 168 MET HE2 . 19248 1 676 . 2 2 63 63 MET HE3 H 1 2.233 . . . . . . B 168 MET HE3 . 19248 1 677 . 2 2 63 63 MET CA C 13 59.102 . . . . . . B 168 MET CA . 19248 1 678 . 2 2 63 63 MET CB C 13 33.296 . . . . . . B 168 MET CB . 19248 1 679 . 2 2 63 63 MET CG C 13 31.317 . . . . . . B 168 MET CG . 19248 1 680 . 2 2 63 63 MET CE C 13 17.312 . . . . . . B 168 MET CE . 19248 1 681 . 2 2 63 63 MET N N 15 119.695 . . . . . . B 168 MET N . 19248 1 682 . 2 2 64 64 THR H H 1 7.860 . . . . . . B 169 THR H . 19248 1 683 . 2 2 64 64 THR HA H 1 3.830 . . . . . . B 169 THR HA . 19248 1 684 . 2 2 64 64 THR HB H 1 4.252 . . . . . . B 169 THR HB . 19248 1 685 . 2 2 64 64 THR HG21 H 1 1.316 . . . . . . B 169 THR HG21 . 19248 1 686 . 2 2 64 64 THR HG22 H 1 1.316 . . . . . . B 169 THR HG22 . 19248 1 687 . 2 2 64 64 THR HG23 H 1 1.316 . . . . . . B 169 THR HG23 . 19248 1 688 . 2 2 64 64 THR CA C 13 66.332 . . . . . . B 169 THR CA . 19248 1 689 . 2 2 64 64 THR CB C 13 68.512 . . . . . . B 169 THR CB . 19248 1 690 . 2 2 64 64 THR CG2 C 13 22.201 . . . . . . B 169 THR CG2 . 19248 1 691 . 2 2 64 64 THR N N 15 112.542 . . . . . . B 169 THR N . 19248 1 692 . 2 2 65 65 TYR H H 1 7.563 . . . . . . B 170 TYR H . 19248 1 693 . 2 2 65 65 TYR HA H 1 4.260 . . . . . . B 170 TYR HA . 19248 1 694 . 2 2 65 65 TYR HB2 H 1 3.290 . . . . . . B 170 TYR HB2 . 19248 1 695 . 2 2 65 65 TYR HB3 H 1 3.221 . . . . . . B 170 TYR HB3 . 19248 1 696 . 2 2 65 65 TYR HD1 H 1 7.237 . . . . . . B 170 TYR HD1 . 19248 1 697 . 2 2 65 65 TYR HD2 H 1 7.237 . . . . . . B 170 TYR HD2 . 19248 1 698 . 2 2 65 65 TYR HE1 H 1 6.869 . . . . . . B 170 TYR HE1 . 19248 1 699 . 2 2 65 65 TYR HE2 H 1 6.869 . . . . . . B 170 TYR HE2 . 19248 1 700 . 2 2 65 65 TYR CA C 13 60.953 . . . . . . B 170 TYR CA . 19248 1 701 . 2 2 65 65 TYR CB C 13 38.422 . . . . . . B 170 TYR CB . 19248 1 702 . 2 2 65 65 TYR CD2 C 13 133.277 . . . . . . B 170 TYR CD2 . 19248 1 703 . 2 2 65 65 TYR CE2 C 13 117.943 . . . . . . B 170 TYR CE2 . 19248 1 704 . 2 2 65 65 TYR N N 15 122.698 . . . . . . B 170 TYR N . 19248 1 705 . 2 2 66 66 ALA H H 1 8.324 . . . . . . B 171 ALA H . 19248 1 706 . 2 2 66 66 ALA HA H 1 3.781 . . . . . . B 171 ALA HA . 19248 1 707 . 2 2 66 66 ALA HB1 H 1 1.405 . . . . . . B 171 ALA HB1 . 19248 1 708 . 2 2 66 66 ALA HB2 H 1 1.405 . . . . . . B 171 ALA HB2 . 19248 1 709 . 2 2 66 66 ALA HB3 H 1 1.405 . . . . . . B 171 ALA HB3 . 19248 1 710 . 2 2 66 66 ALA CA C 13 55.758 . . . . . . B 171 ALA CA . 19248 1 711 . 2 2 66 66 ALA CB C 13 19.144 . . . . . . B 171 ALA CB . 19248 1 712 . 2 2 66 66 ALA N N 15 120.634 . . . . . . B 171 ALA N . 19248 1 713 . 2 2 67 67 VAL H H 1 7.567 . . . . . . B 172 VAL H . 19248 1 714 . 2 2 67 67 VAL HA H 1 3.515 . . . . . . B 172 VAL HA . 19248 1 715 . 2 2 67 67 VAL HB H 1 2.217 . . . . . . B 172 VAL HB . 19248 1 716 . 2 2 67 67 VAL HG11 H 1 1.109 . . . . . . B 172 VAL HG11 . 19248 1 717 . 2 2 67 67 VAL HG12 H 1 1.109 . . . . . . B 172 VAL HG12 . 19248 1 718 . 2 2 67 67 VAL HG13 H 1 1.109 . . . . . . B 172 VAL HG13 . 19248 1 719 . 2 2 67 67 VAL HG21 H 1 0.935 . . . . . . B 172 VAL HG21 . 19248 1 720 . 2 2 67 67 VAL HG22 H 1 0.935 . . . . . . B 172 VAL HG22 . 19248 1 721 . 2 2 67 67 VAL HG23 H 1 0.935 . . . . . . B 172 VAL HG23 . 19248 1 722 . 2 2 67 67 VAL CA C 13 66.507 . . . . . . B 172 VAL CA . 19248 1 723 . 2 2 67 67 VAL CB C 13 31.982 . . . . . . B 172 VAL CB . 19248 1 724 . 2 2 67 67 VAL CG1 C 13 23.150 . . . . . . B 172 VAL CG1 . 19248 1 725 . 2 2 67 67 VAL CG2 C 13 21.937 . . . . . . B 172 VAL CG2 . 19248 1 726 . 2 2 67 67 VAL N N 15 115.336 . . . . . . B 172 VAL N . 19248 1 727 . 2 2 68 68 ARG H H 1 7.520 . . . . . . B 173 ARG H . 19248 1 728 . 2 2 68 68 ARG HA H 1 4.234 . . . . . . B 173 ARG HA . 19248 1 729 . 2 2 68 68 ARG HB2 H 1 1.934 . . . . . . B 173 ARG HB2 . 19248 1 730 . 2 2 68 68 ARG HB3 H 1 1.934 . . . . . . B 173 ARG HB3 . 19248 1 731 . 2 2 68 68 ARG HG2 H 1 1.869 . . . . . . B 173 ARG HG2 . 19248 1 732 . 2 2 68 68 ARG HG3 H 1 1.748 . . . . . . B 173 ARG HG3 . 19248 1 733 . 2 2 68 68 ARG HD2 H 1 3.293 . . . . . . B 173 ARG HD2 . 19248 1 734 . 2 2 68 68 ARG HD3 H 1 3.293 . . . . . . B 173 ARG HD3 . 19248 1 735 . 2 2 68 68 ARG CA C 13 58.720 . . . . . . B 173 ARG CA . 19248 1 736 . 2 2 68 68 ARG CB C 13 30.944 . . . . . . B 173 ARG CB . 19248 1 737 . 2 2 68 68 ARG CG C 13 27.591 . . . . . . B 173 ARG CG . 19248 1 738 . 2 2 68 68 ARG CD C 13 43.702 . . . . . . B 173 ARG CD . 19248 1 739 . 2 2 68 68 ARG N N 15 116.571 . . . . . . B 173 ARG N . 19248 1 740 . 2 2 69 69 LYS H H 1 8.683 . . . . . . B 174 LYS H . 19248 1 741 . 2 2 69 69 LYS HA H 1 4.363 . . . . . . B 174 LYS HA . 19248 1 742 . 2 2 69 69 LYS HB2 H 1 1.464 . . . . . . B 174 LYS HB2 . 19248 1 743 . 2 2 69 69 LYS HB3 H 1 1.290 . . . . . . B 174 LYS HB3 . 19248 1 744 . 2 2 69 69 LYS HG2 H 1 1.154 . . . . . . B 174 LYS HG2 . 19248 1 745 . 2 2 69 69 LYS HG3 H 1 1.154 . . . . . . B 174 LYS HG3 . 19248 1 746 . 2 2 69 69 LYS HD2 H 1 1.639 . . . . . . B 174 LYS HD2 . 19248 1 747 . 2 2 69 69 LYS HD3 H 1 1.503 . . . . . . B 174 LYS HD3 . 19248 1 748 . 2 2 69 69 LYS HE2 H 1 3.024 . . . . . . B 174 LYS HE2 . 19248 1 749 . 2 2 69 69 LYS HE3 H 1 3.024 . . . . . . B 174 LYS HE3 . 19248 1 750 . 2 2 69 69 LYS CA C 13 56.883 . . . . . . B 174 LYS CA . 19248 1 751 . 2 2 69 69 LYS CB C 13 33.832 . . . . . . B 174 LYS CB . 19248 1 752 . 2 2 69 69 LYS CG C 13 24.578 . . . . . . B 174 LYS CG . 19248 1 753 . 2 2 69 69 LYS CD C 13 28.451 . . . . . . B 174 LYS CD . 19248 1 754 . 2 2 69 69 LYS CE C 13 42.319 . . . . . . B 174 LYS CE . 19248 1 755 . 2 2 69 69 LYS N N 15 115.848 . . . . . . B 174 LYS N . 19248 1 756 . 2 2 70 70 LEU H H 1 8.311 . . . . . . B 175 LEU H . 19248 1 757 . 2 2 70 70 LEU HA H 1 4.970 . . . . . . B 175 LEU HA . 19248 1 758 . 2 2 70 70 LEU HB2 H 1 2.283 . . . . . . B 175 LEU HB2 . 19248 1 759 . 2 2 70 70 LEU HB3 H 1 1.660 . . . . . . B 175 LEU HB3 . 19248 1 760 . 2 2 70 70 LEU HG H 1 1.286 . . . . . . B 175 LEU HG . 19248 1 761 . 2 2 70 70 LEU HD11 H 1 0.973 . . . . . . B 175 LEU HD11 . 19248 1 762 . 2 2 70 70 LEU HD12 H 1 0.973 . . . . . . B 175 LEU HD12 . 19248 1 763 . 2 2 70 70 LEU HD13 H 1 0.973 . . . . . . B 175 LEU HD13 . 19248 1 764 . 2 2 70 70 LEU HD21 H 1 1.149 . . . . . . B 175 LEU HD21 . 19248 1 765 . 2 2 70 70 LEU HD22 H 1 1.149 . . . . . . B 175 LEU HD22 . 19248 1 766 . 2 2 70 70 LEU HD23 H 1 1.149 . . . . . . B 175 LEU HD23 . 19248 1 767 . 2 2 70 70 LEU CA C 13 54.445 . . . . . . B 175 LEU CA . 19248 1 768 . 2 2 70 70 LEU CB C 13 42.277 . . . . . . B 175 LEU CB . 19248 1 769 . 2 2 70 70 LEU CG C 13 27.737 . . . . . . B 175 LEU CG . 19248 1 770 . 2 2 70 70 LEU CD1 C 13 23.780 . . . . . . B 175 LEU CD1 . 19248 1 771 . 2 2 70 70 LEU CD2 C 13 24.550 . . . . . . B 175 LEU CD2 . 19248 1 772 . 2 2 70 70 LEU N N 15 114.362 . . . . . . B 175 LEU N . 19248 1 773 . 2 2 71 71 ASP H H 1 7.195 . . . . . . B 176 ASP H . 19248 1 774 . 2 2 71 71 ASP HA H 1 4.573 . . . . . . B 176 ASP HA . 19248 1 775 . 2 2 71 71 ASP HB2 H 1 3.380 . . . . . . B 176 ASP HB2 . 19248 1 776 . 2 2 71 71 ASP HB3 H 1 2.748 . . . . . . B 176 ASP HB3 . 19248 1 777 . 2 2 71 71 ASP CA C 13 57.250 . . . . . . B 176 ASP CA . 19248 1 778 . 2 2 71 71 ASP CB C 13 42.053 . . . . . . B 176 ASP CB . 19248 1 779 . 2 2 71 71 ASP N N 15 120.098 . . . . . . B 176 ASP N . 19248 1 780 . 2 2 72 72 ASN H H 1 9.245 . . . . . . B 177 ASN H . 19248 1 781 . 2 2 72 72 ASN HA H 1 4.837 . . . . . . B 177 ASN HA . 19248 1 782 . 2 2 72 72 ASN HB2 H 1 3.417 . . . . . . B 177 ASN HB2 . 19248 1 783 . 2 2 72 72 ASN HB3 H 1 2.665 . . . . . . B 177 ASN HB3 . 19248 1 784 . 2 2 72 72 ASN HD21 H 1 7.467 . . . . . . B 177 ASN HD21 . 19248 1 785 . 2 2 72 72 ASN HD22 H 1 6.383 . . . . . . B 177 ASN HD22 . 19248 1 786 . 2 2 72 72 ASN CA C 13 54.545 . . . . . . B 177 ASN CA . 19248 1 787 . 2 2 72 72 ASN CB C 13 37.933 . . . . . . B 177 ASN CB . 19248 1 788 . 2 2 72 72 ASN N N 15 123.730 . . . . . . B 177 ASN N . 19248 1 789 . 2 2 72 72 ASN ND2 N 15 109.890 . . . . . . B 177 ASN ND2 . 19248 1 790 . 2 2 73 73 THR H H 1 7.381 . . . . . . B 178 THR H . 19248 1 791 . 2 2 73 73 THR HA H 1 4.856 . . . . . . B 178 THR HA . 19248 1 792 . 2 2 73 73 THR HB H 1 4.557 . . . . . . B 178 THR HB . 19248 1 793 . 2 2 73 73 THR HG21 H 1 1.502 . . . . . . B 178 THR HG21 . 19248 1 794 . 2 2 73 73 THR HG22 H 1 1.502 . . . . . . B 178 THR HG22 . 19248 1 795 . 2 2 73 73 THR HG23 H 1 1.502 . . . . . . B 178 THR HG23 . 19248 1 796 . 2 2 73 73 THR CA C 13 60.418 . . . . . . B 178 THR CA . 19248 1 797 . 2 2 73 73 THR CB C 13 73.248 . . . . . . B 178 THR CB . 19248 1 798 . 2 2 73 73 THR CG2 C 13 23.984 . . . . . . B 178 THR CG2 . 19248 1 799 . 2 2 73 73 THR N N 15 105.323 . . . . . . B 178 THR N . 19248 1 800 . 2 2 74 74 LYS H H 1 8.439 . . . . . . B 179 LYS H . 19248 1 801 . 2 2 74 74 LYS HA H 1 3.904 . . . . . . B 179 LYS HA . 19248 1 802 . 2 2 74 74 LYS HB2 H 1 1.782 . . . . . . B 179 LYS HB2 . 19248 1 803 . 2 2 74 74 LYS HB3 H 1 1.397 . . . . . . B 179 LYS HB3 . 19248 1 804 . 2 2 74 74 LYS HG2 H 1 0.982 . . . . . . B 179 LYS HG2 . 19248 1 805 . 2 2 74 74 LYS HG3 H 1 0.822 . . . . . . B 179 LYS HG3 . 19248 1 806 . 2 2 74 74 LYS HD2 H 1 1.647 . . . . . . B 179 LYS HD2 . 19248 1 807 . 2 2 74 74 LYS HD3 H 1 1.647 . . . . . . B 179 LYS HD3 . 19248 1 808 . 2 2 74 74 LYS HE2 H 1 2.921 . . . . . . B 179 LYS HE2 . 19248 1 809 . 2 2 74 74 LYS HE3 H 1 2.921 . . . . . . B 179 LYS HE3 . 19248 1 810 . 2 2 74 74 LYS CA C 13 56.455 . . . . . . B 179 LYS CA . 19248 1 811 . 2 2 74 74 LYS CB C 13 32.641 . . . . . . B 179 LYS CB . 19248 1 812 . 2 2 74 74 LYS CG C 13 25.485 . . . . . . B 179 LYS CG . 19248 1 813 . 2 2 74 74 LYS CD C 13 29.522 . . . . . . B 179 LYS CD . 19248 1 814 . 2 2 74 74 LYS CE C 13 41.982 . . . . . . B 179 LYS CE . 19248 1 815 . 2 2 74 74 LYS N N 15 120.223 . . . . . . B 179 LYS N . 19248 1 816 . 2 2 75 75 PHE H H 1 9.339 . . . . . . B 180 PHE H . 19248 1 817 . 2 2 75 75 PHE HA H 1 4.510 . . . . . . B 180 PHE HA . 19248 1 818 . 2 2 75 75 PHE HB2 H 1 2.906 . . . . . . B 180 PHE HB2 . 19248 1 819 . 2 2 75 75 PHE HB3 H 1 2.340 . . . . . . B 180 PHE HB3 . 19248 1 820 . 2 2 75 75 PHE HD1 H 1 6.615 . . . . . . B 180 PHE HD1 . 19248 1 821 . 2 2 75 75 PHE HD2 H 1 6.615 . . . . . . B 180 PHE HD2 . 19248 1 822 . 2 2 75 75 PHE HE1 H 1 6.835 . . . . . . B 180 PHE HE1 . 19248 1 823 . 2 2 75 75 PHE HE2 H 1 6.835 . . . . . . B 180 PHE HE2 . 19248 1 824 . 2 2 75 75 PHE HZ H 1 7.127 . . . . . . B 180 PHE HZ . 19248 1 825 . 2 2 75 75 PHE CA C 13 56.122 . . . . . . B 180 PHE CA . 19248 1 826 . 2 2 75 75 PHE CB C 13 43.233 . . . . . . B 180 PHE CB . 19248 1 827 . 2 2 75 75 PHE CD2 C 13 131.938 . . . . . . B 180 PHE CD2 . 19248 1 828 . 2 2 75 75 PHE CE2 C 13 129.756 . . . . . . B 180 PHE CE2 . 19248 1 829 . 2 2 75 75 PHE CZ C 13 128.650 . . . . . . B 180 PHE CZ . 19248 1 830 . 2 2 75 75 PHE N N 15 132.032 . . . . . . B 180 PHE N . 19248 1 831 . 2 2 76 76 ARG H H 1 8.288 . . . . . . B 181 ARG H . 19248 1 832 . 2 2 76 76 ARG HA H 1 4.981 . . . . . . B 181 ARG HA . 19248 1 833 . 2 2 76 76 ARG HB2 H 1 1.620 . . . . . . B 181 ARG HB2 . 19248 1 834 . 2 2 76 76 ARG HB3 H 1 1.417 . . . . . . B 181 ARG HB3 . 19248 1 835 . 2 2 76 76 ARG HG2 H 1 1.268 . . . . . . B 181 ARG HG2 . 19248 1 836 . 2 2 76 76 ARG HG3 H 1 1.268 . . . . . . B 181 ARG HG3 . 19248 1 837 . 2 2 76 76 ARG HD2 H 1 3.127 . . . . . . B 181 ARG HD2 . 19248 1 838 . 2 2 76 76 ARG HD3 H 1 3.127 . . . . . . B 181 ARG HD3 . 19248 1 839 . 2 2 76 76 ARG CA C 13 54.126 . . . . . . B 181 ARG CA . 19248 1 840 . 2 2 76 76 ARG CB C 13 32.920 . . . . . . B 181 ARG CB . 19248 1 841 . 2 2 76 76 ARG CG C 13 27.676 . . . . . . B 181 ARG CG . 19248 1 842 . 2 2 76 76 ARG CD C 13 43.475 . . . . . . B 181 ARG CD . 19248 1 843 . 2 2 76 76 ARG N N 15 128.341 . . . . . . B 181 ARG N . 19248 1 844 . 2 2 78 78 HIS H H 1 10.034 . . . . . . B 183 HIS H . 19248 1 845 . 2 2 78 78 HIS HA H 1 4.588 . . . . . . B 183 HIS HA . 19248 1 846 . 2 2 78 78 HIS HB2 H 1 4.239 . . . . . . B 183 HIS HB2 . 19248 1 847 . 2 2 78 78 HIS HB3 H 1 3.466 . . . . . . B 183 HIS HB3 . 19248 1 848 . 2 2 78 78 HIS HD2 H 1 7.296 . . . . . . B 183 HIS HD2 . 19248 1 849 . 2 2 78 78 HIS HE1 H 1 9.071 . . . . . . B 183 HIS HE1 . 19248 1 850 . 2 2 78 78 HIS CA C 13 58.271 . . . . . . B 183 HIS CA . 19248 1 851 . 2 2 78 78 HIS CB C 13 26.750 . . . . . . B 183 HIS CB . 19248 1 852 . 2 2 78 78 HIS CD2 C 13 120.714 . . . . . . B 183 HIS CD2 . 19248 1 853 . 2 2 78 78 HIS CE1 C 13 137.800 . . . . . . B 183 HIS CE1 . 19248 1 854 . 2 2 78 78 HIS N N 15 118.140 . . . . . . B 183 HIS N . 19248 1 855 . 2 2 79 79 GLU H H 1 7.144 . . . . . . B 184 GLU H . 19248 1 856 . 2 2 79 79 GLU HA H 1 4.515 . . . . . . B 184 GLU HA . 19248 1 857 . 2 2 79 79 GLU HB2 H 1 2.346 . . . . . . B 184 GLU HB2 . 19248 1 858 . 2 2 79 79 GLU HB3 H 1 1.313 . . . . . . B 184 GLU HB3 . 19248 1 859 . 2 2 79 79 GLU HG2 H 1 1.756 . . . . . . B 184 GLU HG2 . 19248 1 860 . 2 2 79 79 GLU HG3 H 1 1.617 . . . . . . B 184 GLU HG3 . 19248 1 861 . 2 2 79 79 GLU CA C 13 55.670 . . . . . . B 184 GLU CA . 19248 1 862 . 2 2 79 79 GLU CB C 13 30.021 . . . . . . B 184 GLU CB . 19248 1 863 . 2 2 79 79 GLU CG C 13 35.912 . . . . . . B 184 GLU CG . 19248 1 864 . 2 2 79 79 GLU N N 15 116.959 . . . . . . B 184 GLU N . 19248 1 865 . 2 2 80 80 GLY H H 1 7.934 . . . . . . B 185 GLY H . 19248 1 866 . 2 2 80 80 GLY HA2 H 1 4.254 . . . . . . B 185 GLY HA2 . 19248 1 867 . 2 2 80 80 GLY HA3 H 1 3.442 . . . . . . B 185 GLY HA3 . 19248 1 868 . 2 2 80 80 GLY CA C 13 45.401 . . . . . . B 185 GLY CA . 19248 1 869 . 2 2 80 80 GLY N N 15 108.035 . . . . . . B 185 GLY N . 19248 1 870 . 2 2 81 81 GLU H H 1 7.208 . . . . . . B 186 GLU H . 19248 1 871 . 2 2 81 81 GLU HA H 1 4.525 . . . . . . B 186 GLU HA . 19248 1 872 . 2 2 81 81 GLU HB2 H 1 2.031 . . . . . . B 186 GLU HB2 . 19248 1 873 . 2 2 81 81 GLU HB3 H 1 1.752 . . . . . . B 186 GLU HB3 . 19248 1 874 . 2 2 81 81 GLU HG2 H 1 2.287 . . . . . . B 186 GLU HG2 . 19248 1 875 . 2 2 81 81 GLU HG3 H 1 2.199 . . . . . . B 186 GLU HG3 . 19248 1 876 . 2 2 81 81 GLU CA C 13 56.700 . . . . . . B 186 GLU CA . 19248 1 877 . 2 2 81 81 GLU CB C 13 32.112 . . . . . . B 186 GLU CB . 19248 1 878 . 2 2 81 81 GLU CG C 13 37.921 . . . . . . B 186 GLU CG . 19248 1 879 . 2 2 81 81 GLU N N 15 118.585 . . . . . . B 186 GLU N . 19248 1 880 . 2 2 82 82 THR H H 1 8.571 . . . . . . B 187 THR H . 19248 1 881 . 2 2 82 82 THR HA H 1 5.908 . . . . . . B 187 THR HA . 19248 1 882 . 2 2 82 82 THR HB H 1 3.994 . . . . . . B 187 THR HB . 19248 1 883 . 2 2 82 82 THR HG21 H 1 1.154 . . . . . . B 187 THR HG21 . 19248 1 884 . 2 2 82 82 THR HG22 H 1 1.154 . . . . . . B 187 THR HG22 . 19248 1 885 . 2 2 82 82 THR HG23 H 1 1.154 . . . . . . B 187 THR HG23 . 19248 1 886 . 2 2 82 82 THR CA C 13 59.765 . . . . . . B 187 THR CA . 19248 1 887 . 2 2 82 82 THR CB C 13 72.153 . . . . . . B 187 THR CB . 19248 1 888 . 2 2 82 82 THR CG2 C 13 21.367 . . . . . . B 187 THR CG2 . 19248 1 889 . 2 2 82 82 THR N N 15 114.275 . . . . . . B 187 THR N . 19248 1 890 . 2 2 83 83 ALA H H 1 8.833 . . . . . . B 188 ALA H . 19248 1 891 . 2 2 83 83 ALA HA H 1 4.636 . . . . . . B 188 ALA HA . 19248 1 892 . 2 2 83 83 ALA HB1 H 1 1.548 . . . . . . B 188 ALA HB1 . 19248 1 893 . 2 2 83 83 ALA HB2 H 1 1.548 . . . . . . B 188 ALA HB2 . 19248 1 894 . 2 2 83 83 ALA HB3 H 1 1.548 . . . . . . B 188 ALA HB3 . 19248 1 895 . 2 2 83 83 ALA CA C 13 51.900 . . . . . . B 188 ALA CA . 19248 1 896 . 2 2 83 83 ALA CB C 13 24.254 . . . . . . B 188 ALA CB . 19248 1 897 . 2 2 83 83 ALA N N 15 123.311 . . . . . . B 188 ALA N . 19248 1 898 . 2 2 84 84 TYR H H 1 8.723 . . . . . . B 189 TYR H . 19248 1 899 . 2 2 84 84 TYR HA H 1 5.173 . . . . . . B 189 TYR HA . 19248 1 900 . 2 2 84 84 TYR HB2 H 1 2.906 . . . . . . B 189 TYR HB2 . 19248 1 901 . 2 2 84 84 TYR HB3 H 1 2.859 . . . . . . B 189 TYR HB3 . 19248 1 902 . 2 2 84 84 TYR HD1 H 1 7.075 . . . . . . B 189 TYR HD1 . 19248 1 903 . 2 2 84 84 TYR HD2 H 1 7.075 . . . . . . B 189 TYR HD2 . 19248 1 904 . 2 2 84 84 TYR HE1 H 1 6.914 . . . . . . B 189 TYR HE1 . 19248 1 905 . 2 2 84 84 TYR HE2 H 1 6.914 . . . . . . B 189 TYR HE2 . 19248 1 906 . 2 2 84 84 TYR CA C 13 58.720 . . . . . . B 189 TYR CA . 19248 1 907 . 2 2 84 84 TYR CB C 13 38.843 . . . . . . B 189 TYR CB . 19248 1 908 . 2 2 84 84 TYR CD2 C 13 133.208 . . . . . . B 189 TYR CD2 . 19248 1 909 . 2 2 84 84 TYR CE2 C 13 118.106 . . . . . . B 189 TYR CE2 . 19248 1 910 . 2 2 84 84 TYR N N 15 120.543 . . . . . . B 189 TYR N . 19248 1 911 . 2 2 85 85 ILE H H 1 8.286 . . . . . . B 190 ILE H . 19248 1 912 . 2 2 85 85 ILE HA H 1 5.024 . . . . . . B 190 ILE HA . 19248 1 913 . 2 2 85 85 ILE HB H 1 1.900 . . . . . . B 190 ILE HB . 19248 1 914 . 2 2 85 85 ILE HG12 H 1 1.687 . . . . . . B 190 ILE HG12 . 19248 1 915 . 2 2 85 85 ILE HG13 H 1 1.271 . . . . . . B 190 ILE HG13 . 19248 1 916 . 2 2 85 85 ILE HG21 H 1 0.533 . . . . . . B 190 ILE HG21 . 19248 1 917 . 2 2 85 85 ILE HG22 H 1 0.533 . . . . . . B 190 ILE HG22 . 19248 1 918 . 2 2 85 85 ILE HG23 H 1 0.533 . . . . . . B 190 ILE HG23 . 19248 1 919 . 2 2 85 85 ILE HD11 H 1 0.611 . . . . . . B 190 ILE HD11 . 19248 1 920 . 2 2 85 85 ILE HD12 H 1 0.611 . . . . . . B 190 ILE HD12 . 19248 1 921 . 2 2 85 85 ILE HD13 H 1 0.611 . . . . . . B 190 ILE HD13 . 19248 1 922 . 2 2 85 85 ILE CA C 13 59.920 . . . . . . B 190 ILE CA . 19248 1 923 . 2 2 85 85 ILE CB C 13 40.951 . . . . . . B 190 ILE CB . 19248 1 924 . 2 2 85 85 ILE CG1 C 13 24.968 . . . . . . B 190 ILE CG1 . 19248 1 925 . 2 2 85 85 ILE CG2 C 13 17.943 . . . . . . B 190 ILE CG2 . 19248 1 926 . 2 2 85 85 ILE CD1 C 13 14.573 . . . . . . B 190 ILE CD1 . 19248 1 927 . 2 2 85 85 ILE N N 15 115.845 . . . . . . B 190 ILE N . 19248 1 928 . 2 2 86 86 ARG H H 1 8.412 . . . . . . B 191 ARG H . 19248 1 929 . 2 2 86 86 ARG HA H 1 5.428 . . . . . . B 191 ARG HA . 19248 1 930 . 2 2 86 86 ARG HB2 H 1 1.935 . . . . . . B 191 ARG HB2 . 19248 1 931 . 2 2 86 86 ARG HB3 H 1 1.935 . . . . . . B 191 ARG HB3 . 19248 1 932 . 2 2 86 86 ARG HG2 H 1 1.827 . . . . . . B 191 ARG HG2 . 19248 1 933 . 2 2 86 86 ARG HG3 H 1 1.671 . . . . . . B 191 ARG HG3 . 19248 1 934 . 2 2 86 86 ARG HD2 H 1 3.386 . . . . . . B 191 ARG HD2 . 19248 1 935 . 2 2 86 86 ARG HD3 H 1 3.228 . . . . . . B 191 ARG HD3 . 19248 1 936 . 2 2 86 86 ARG HE H 1 8.920 . . . . . . B 191 ARG HE . 19248 1 937 . 2 2 86 86 ARG CA C 13 52.165 . . . . . . B 191 ARG CA . 19248 1 938 . 2 2 86 86 ARG CB C 13 30.310 . . . . . . B 191 ARG CB . 19248 1 939 . 2 2 86 86 ARG CG C 13 25.824 . . . . . . B 191 ARG CG . 19248 1 940 . 2 2 86 86 ARG CD C 13 41.269 . . . . . . B 191 ARG CD . 19248 1 941 . 2 2 86 86 ARG N N 15 117.660 . . . . . . B 191 ARG N . 19248 1 942 . 2 2 86 86 ARG NE N 15 84.276 . . . . . . B 191 ARG NE . 19248 1 943 . 2 2 87 87 VAL H H 1 9.099 . . . . . . B 192 VAL H . 19248 1 944 . 2 2 87 87 VAL HA H 1 4.884 . . . . . . B 192 VAL HA . 19248 1 945 . 2 2 87 87 VAL HB H 1 1.924 . . . . . . B 192 VAL HB . 19248 1 946 . 2 2 87 87 VAL HG11 H 1 0.988 . . . . . . B 192 VAL HG11 . 19248 1 947 . 2 2 87 87 VAL HG12 H 1 0.988 . . . . . . B 192 VAL HG12 . 19248 1 948 . 2 2 87 87 VAL HG13 H 1 0.988 . . . . . . B 192 VAL HG13 . 19248 1 949 . 2 2 87 87 VAL HG21 H 1 0.952 . . . . . . B 192 VAL HG21 . 19248 1 950 . 2 2 87 87 VAL HG22 H 1 0.952 . . . . . . B 192 VAL HG22 . 19248 1 951 . 2 2 87 87 VAL HG23 H 1 0.952 . . . . . . B 192 VAL HG23 . 19248 1 952 . 2 2 87 87 VAL CA C 13 61.429 . . . . . . B 192 VAL CA . 19248 1 953 . 2 2 87 87 VAL CB C 13 35.190 . . . . . . B 192 VAL CB . 19248 1 954 . 2 2 87 87 VAL CG1 C 13 21.958 . . . . . . B 192 VAL CG1 . 19248 1 955 . 2 2 87 87 VAL CG2 C 13 22.203 . . . . . . B 192 VAL CG2 . 19248 1 956 . 2 2 87 87 VAL N N 15 121.645 . . . . . . B 192 VAL N . 19248 1 957 . 2 2 88 88 LYS H H 1 8.834 . . . . . . B 193 LYS H . 19248 1 958 . 2 2 88 88 LYS HA H 1 4.909 . . . . . . B 193 LYS HA . 19248 1 959 . 2 2 88 88 LYS HB2 H 1 1.954 . . . . . . B 193 LYS HB2 . 19248 1 960 . 2 2 88 88 LYS HB3 H 1 1.825 . . . . . . B 193 LYS HB3 . 19248 1 961 . 2 2 88 88 LYS HG2 H 1 1.401 . . . . . . B 193 LYS HG2 . 19248 1 962 . 2 2 88 88 LYS HG3 H 1 1.401 . . . . . . B 193 LYS HG3 . 19248 1 963 . 2 2 88 88 LYS HD2 H 1 1.748 . . . . . . B 193 LYS HD2 . 19248 1 964 . 2 2 88 88 LYS HD3 H 1 1.748 . . . . . . B 193 LYS HD3 . 19248 1 965 . 2 2 88 88 LYS HE2 H 1 2.915 . . . . . . B 193 LYS HE2 . 19248 1 966 . 2 2 88 88 LYS HE3 H 1 2.915 . . . . . . B 193 LYS HE3 . 19248 1 967 . 2 2 88 88 LYS CA C 13 54.716 . . . . . . B 193 LYS CA . 19248 1 968 . 2 2 88 88 LYS CB C 13 36.680 . . . . . . B 193 LYS CB . 19248 1 969 . 2 2 88 88 LYS CG C 13 24.182 . . . . . . B 193 LYS CG . 19248 1 970 . 2 2 88 88 LYS CD C 13 29.496 . . . . . . B 193 LYS CD . 19248 1 971 . 2 2 88 88 LYS CE C 13 42.009 . . . . . . B 193 LYS CE . 19248 1 972 . 2 2 88 88 LYS N N 15 123.338 . . . . . . B 193 LYS N . 19248 1 973 . 2 2 89 89 VAL H H 1 8.690 . . . . . . B 194 VAL H . 19248 1 974 . 2 2 89 89 VAL HA H 1 4.196 . . . . . . B 194 VAL HA . 19248 1 975 . 2 2 89 89 VAL HB H 1 2.206 . . . . . . B 194 VAL HB . 19248 1 976 . 2 2 89 89 VAL HG11 H 1 1.206 . . . . . . B 194 VAL HG11 . 19248 1 977 . 2 2 89 89 VAL HG12 H 1 1.206 . . . . . . B 194 VAL HG12 . 19248 1 978 . 2 2 89 89 VAL HG13 H 1 1.206 . . . . . . B 194 VAL HG13 . 19248 1 979 . 2 2 89 89 VAL HG21 H 1 1.170 . . . . . . B 194 VAL HG21 . 19248 1 980 . 2 2 89 89 VAL HG22 H 1 1.170 . . . . . . B 194 VAL HG22 . 19248 1 981 . 2 2 89 89 VAL HG23 H 1 1.170 . . . . . . B 194 VAL HG23 . 19248 1 982 . 2 2 89 89 VAL CA C 13 64.279 . . . . . . B 194 VAL CA . 19248 1 983 . 2 2 89 89 VAL CB C 13 32.629 . . . . . . B 194 VAL CB . 19248 1 984 . 2 2 89 89 VAL CG1 C 13 21.713 . . . . . . B 194 VAL CG1 . 19248 1 985 . 2 2 89 89 VAL CG2 C 13 22.123 . . . . . . B 194 VAL CG2 . 19248 1 986 . 2 2 89 89 VAL N N 15 120.724 . . . . . . B 194 VAL N . 19248 1 987 . 2 2 90 90 ASP H H 1 8.342 . . . . . . B 195 ASP H . 19248 1 988 . 2 2 90 90 ASP HA H 1 4.865 . . . . . . B 195 ASP HA . 19248 1 989 . 2 2 90 90 ASP HB2 H 1 2.790 . . . . . . B 195 ASP HB2 . 19248 1 990 . 2 2 90 90 ASP HB3 H 1 2.461 . . . . . . B 195 ASP HB3 . 19248 1 991 . 2 2 90 90 ASP CA C 13 54.247 . . . . . . B 195 ASP CA . 19248 1 992 . 2 2 90 90 ASP CB C 13 42.672 . . . . . . B 195 ASP CB . 19248 1 993 . 2 2 90 90 ASP N N 15 125.866 . . . . . . B 195 ASP N . 19248 1 994 . 2 2 91 91 GLY H H 1 8.047 . . . . . . B 196 GLY H . 19248 1 995 . 2 2 91 91 GLY HA2 H 1 4.315 . . . . . . B 196 GLY HA2 . 19248 1 996 . 2 2 91 91 GLY HA3 H 1 4.136 . . . . . . B 196 GLY HA3 . 19248 1 997 . 2 2 91 91 GLY CA C 13 44.981 . . . . . . B 196 GLY CA . 19248 1 998 . 2 2 91 91 GLY N N 15 111.070 . . . . . . B 196 GLY N . 19248 1 stop_ save_