data_6777 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6777 _Entry.Title ; Beta PIX-SH3 complexed with an atypical peptide from alpha-PAK ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-08-15 _Entry.Accession_date 2005-08-15 _Entry.Last_release_date 2005-08-29 _Entry.Original_release_date 2005-08-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 H. Mott . R. . 6777 2 D. Nietlispach . . . 6777 3 K. Evetts . A. . 6777 4 D. Owen . . . 6777 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 6777 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 539 6777 '13C chemical shifts' 213 6777 '15N chemical shifts' 76 6777 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-08-29 2005-08-15 original author . 6777 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6777 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16101281 _Citation.Full_citation . _Citation.Title ; Structural Analysis of the SH3 Domain of beta-PIX and Its Interaction with alpha-p21 Activated Kinase (PAK) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 44 _Citation.Journal_issue 33 _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 10977 _Citation.Page_last 10983 _Citation.Year 2005 _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 H. Mott . R. . 6777 1 2 D. Nietlispach . . . 6777 1 3 K. Evetts . A. . 6777 1 4 D. Owen . . . 6777 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'SH3-peptide complex' 6777 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_PIX-SH3_and_PAK _Assembly.Sf_category assembly _Assembly.Sf_framecode system_PIX-SH3_and_PAK _Assembly.Entry_ID 6777 _Assembly.ID 1 _Assembly.Name 'beta PIX-SH3 complexed with an atypical peptide from alpha-PAK' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID heterodimer 6777 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'beta PIX-SH3' 1 $beta-PIX . . . native . . . . . 6777 1 2 alpha-PAK 2 $alpha_PAK . . . native . . . . . 6777 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1ZSG . . . . . . 6777 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'beta PIX-SH3 complexed with an atypical peptide from alpha-PAK' system 6777 1 'PIX-SH3 and PAK' abbreviation 6777 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_beta-PIX _Entity.Sf_category entity _Entity.Sf_framecode beta-PIX _Entity.Entry_ID 6777 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name beta-PIX _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MTDNSNNQLVVRAKFNFQQT NEDELSFSKGDVIHVTRVEE GGWWEGTLNGRTGWFPSNYV REVKA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 65 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 PDB 1ZSG . "Beta Pix-Sh3 Complexed With An Atypical Peptide From Alpha- Pak" . . . . . 100.00 22 100.00 100.00 3.54e-05 . . . . 6777 1 2 no DBJ BAF85787 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 553 100.00 100.00 8.16e-05 . . . . 6777 1 3 no DBJ BAG51489 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 522 100.00 100.00 7.40e-05 . . . . 6777 1 4 no DBJ BAH12236 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 455 100.00 100.00 5.92e-05 . . . . 6777 1 5 no GB AAA65441 . "p21-activated protein kinase [Homo sapiens]" . . . . . 100.00 545 100.00 100.00 7.79e-05 . . . . 6777 1 6 no GB AAB61533 . "protein kinase MUK2 [Rattus norvegicus]" . . . . . 100.00 544 100.00 100.00 7.86e-05 . . . . 6777 1 7 no GB AAB95646 . "serine/threonine protein kinase [Rattus norvegicus]" . . . . . 100.00 544 100.00 100.00 7.86e-05 . . . . 6777 1 8 no GB AAC24716 . "p21 activated kinase 1B [Homo sapiens]" . . . . . 100.00 553 100.00 100.00 8.32e-05 . . . . 6777 1 9 no GB AAC32375 . "Cdc42/Rac effector kinase PAK-A [Mus musculus]" . . . . . 100.00 545 100.00 100.00 8.02e-05 . . . . 6777 1 10 no PRF 2003404A . "Ser/Thr protein kinase" . . . . . 100.00 544 100.00 100.00 7.71e-05 . . . . 6777 1 11 no REF NP_001122092 . "serine/threonine-protein kinase PAK 1 isoform 1 [Homo sapiens]" . . . . . 100.00 553 100.00 100.00 8.32e-05 . . . . 6777 1 12 no REF NP_002567 . "serine/threonine-protein kinase PAK 1 isoform 2 [Homo sapiens]" . . . . . 100.00 545 100.00 100.00 7.87e-05 . . . . 6777 1 13 no REF NP_035165 . "serine/threonine-protein kinase PAK 1 [Mus musculus]" . . . . . 100.00 544 100.00 100.00 7.94e-05 . . . . 6777 1 14 no REF NP_058894 . "serine/threonine-protein kinase PAK 1 [Rattus norvegicus]" . . . . . 100.00 544 100.00 100.00 7.86e-05 . . . . 6777 1 15 no REF XP_001090310 . "PREDICTED: serine/threonine-protein kinase PAK 1-like isoform 7 [Macaca mulatta]" . . . . . 100.00 545 100.00 100.00 7.50e-05 . . . . 6777 1 16 no SP O88643 . "RecName: Full=Serine/threonine-protein kinase PAK 1; AltName: Full=Alpha-PAK; AltName: Full=CDC42/RAC effector kinase PAK-A; Al" . . . . . 100.00 545 100.00 100.00 8.02e-05 . . . . 6777 1 17 no SP P35465 . "RecName: Full=Serine/threonine-protein kinase PAK 1; AltName: Full=Alpha-PAK; AltName: Full=Protein kinase MUK2; AltName: Full=" . . . . . 100.00 544 100.00 100.00 7.86e-05 . . . . 6777 1 18 no SP Q13153 . "RecName: Full=Serine/threonine-protein kinase PAK 1; AltName: Full=Alpha-PAK; AltName: Full=p21-activated kinase 1; Short=PAK-1" . . . . . 100.00 545 100.00 100.00 7.87e-05 . . . . 6777 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID beta-PIX common 6777 1 PIX abbreviation 6777 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6777 1 2 . THR . 6777 1 3 . ASP . 6777 1 4 . ASN . 6777 1 5 . SER . 6777 1 6 . ASN . 6777 1 7 . ASN . 6777 1 8 . GLN . 6777 1 9 . LEU . 6777 1 10 . VAL . 6777 1 11 . VAL . 6777 1 12 . ARG . 6777 1 13 . ALA . 6777 1 14 . LYS . 6777 1 15 . PHE . 6777 1 16 . ASN . 6777 1 17 . PHE . 6777 1 18 . GLN . 6777 1 19 . GLN . 6777 1 20 . THR . 6777 1 21 . ASN . 6777 1 22 . GLU . 6777 1 23 . ASP . 6777 1 24 . GLU . 6777 1 25 . LEU . 6777 1 26 . SER . 6777 1 27 . PHE . 6777 1 28 . SER . 6777 1 29 . LYS . 6777 1 30 . GLY . 6777 1 31 . ASP . 6777 1 32 . VAL . 6777 1 33 . ILE . 6777 1 34 . HIS . 6777 1 35 . VAL . 6777 1 36 . THR . 6777 1 37 . ARG . 6777 1 38 . VAL . 6777 1 39 . GLU . 6777 1 40 . GLU . 6777 1 41 . GLY . 6777 1 42 . GLY . 6777 1 43 . TRP . 6777 1 44 . TRP . 6777 1 45 . GLU . 6777 1 46 . GLY . 6777 1 47 . THR . 6777 1 48 . LEU . 6777 1 49 . ASN . 6777 1 50 . GLY . 6777 1 51 . ARG . 6777 1 52 . THR . 6777 1 53 . GLY . 6777 1 54 . TRP . 6777 1 55 . PHE . 6777 1 56 . PRO . 6777 1 57 . SER . 6777 1 58 . ASN . 6777 1 59 . TYR . 6777 1 60 . VAL . 6777 1 61 . ARG . 6777 1 62 . GLU . 6777 1 63 . VAL . 6777 1 64 . LYS . 6777 1 65 . ALA . 6777 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 . MET 1 1 6777 1 . THR 2 2 6777 1 . ASP 3 3 6777 1 . ASN 4 4 6777 1 . SER 5 5 6777 1 . ASN 6 6 6777 1 . ASN 7 7 6777 1 . GLN 8 8 6777 1 . LEU 9 9 6777 1 . VAL 10 10 6777 1 . VAL 11 11 6777 1 . ARG 12 12 6777 1 . ALA 13 13 6777 1 . LYS 14 14 6777 1 . PHE 15 15 6777 1 . ASN 16 16 6777 1 . PHE 17 17 6777 1 . GLN 18 18 6777 1 . GLN 19 19 6777 1 . THR 20 20 6777 1 . ASN 21 21 6777 1 . GLU 22 22 6777 1 . ASP 23 23 6777 1 . GLU 24 24 6777 1 . LEU 25 25 6777 1 . SER 26 26 6777 1 . PHE 27 27 6777 1 . SER 28 28 6777 1 . LYS 29 29 6777 1 . GLY 30 30 6777 1 . ASP 31 31 6777 1 . VAL 32 32 6777 1 . ILE 33 33 6777 1 . HIS 34 34 6777 1 . VAL 35 35 6777 1 . THR 36 36 6777 1 . ARG 37 37 6777 1 . VAL 38 38 6777 1 . GLU 39 39 6777 1 . GLU 40 40 6777 1 . GLY 41 41 6777 1 . GLY 42 42 6777 1 . TRP 43 43 6777 1 . TRP 44 44 6777 1 . GLU 45 45 6777 1 . GLY 46 46 6777 1 . THR 47 47 6777 1 . LEU 48 48 6777 1 . ASN 49 49 6777 1 . GLY 50 50 6777 1 . ARG 51 51 6777 1 . THR 52 52 6777 1 . GLY 53 53 6777 1 . TRP 54 54 6777 1 . PHE 55 55 6777 1 . PRO 56 56 6777 1 . SER 57 57 6777 1 . ASN 58 58 6777 1 . TYR 59 59 6777 1 . VAL 60 60 6777 1 . ARG 61 61 6777 1 . GLU 62 62 6777 1 . VAL 63 63 6777 1 . LYS 64 64 6777 1 . ALA 65 65 6777 1 stop_ save_ save_alpha_PAK _Entity.Sf_category entity _Entity.Sf_framecode alpha_PAK _Entity.Entry_ID 6777 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'alpha-p21 activated kinase' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DATPPPVIAPRPEHTKSVYT RS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 22 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . . SWISS-PROT Q13153 . 'Serine/threonine-protein kinase PAK 1 (p21-activated kinase 1) (PAK-1) (p65-PAK) (Alpha-PAK)' . . . . . 100.00 545 100.00 100.00 3.48e-04 . . . . 6777 2 . . SWISS-PROT P35465 . 'Serine/threonine-protein kinase PAK 1 (p21-activated kinase 1) (PAK-1) (p68-PAK) (Alpha-PAK) (Protein kinase MUK2)' . . . . . 100.00 544 100.00 100.00 3.48e-04 . . . . 6777 2 . . SWISS-PROT O88643 . 'Serine/threonine-protein kinase PAK 1 (p21-activated kinase 1) (PAK-1) (p65-PAK) (Alpha-PAK) (CDC42/RAC effector kinase PAK-A)' . . . . . 100.00 545 100.00 100.00 3.54e-04 . . . . 6777 2 . . REF XP_001089263 . 'PREDICTED: similar to p21-activated kinase 1 isoform 1 [Macaca mulatta]' . . . . . 100.00 531 100.00 100.00 3.66e-04 . . . . 6777 2 . . REF NP_058894 . 'p21 (CDKN1A)-activated kinase 1 [Rattus norvegicus]' . . . . . 100.00 544 100.00 100.00 3.48e-04 . . . . 6777 2 . . REF NP_035165 . 'p21 (CDKN1A)-activated kinase 1 [Mus musculus]' . . . . . 100.00 544 100.00 100.00 3.51e-04 . . . . 6777 2 . . REF NP_002567 . 'p21-activated kinase 1 isoform 2 [Homo sapiens]' . . . . . 100.00 545 100.00 100.00 3.48e-04 . . . . 6777 2 . . REF NP_001122092 . 'p21-activated kinase 1 isoform 1 [Homo sapiens]' . . . . . 100.00 553 100.00 100.00 3.63e-04 . . . . 6777 2 . . PRF 2003404A . 'Ser/Thr protein kinase' . . . . . 100.00 544 100.00 100.00 3.43e-04 . . . . 6777 2 . . GenBank AAC32375 . 'Cdc42/Rac effector kinase PAK-A [Mus musculus]' . . . . . 100.00 545 100.00 100.00 3.54e-04 . . . . 6777 2 . . GenBank AAC24716 . 'p21 activated kinase 1B [Homo sapiens]' . . . . . 100.00 553 100.00 100.00 3.63e-04 . . . . 6777 2 . . GenBank AAB95646 . 'serine/threonine protein kinase [Rattus norvegicus]' . . . . . 100.00 544 100.00 100.00 3.48e-04 . . . . 6777 2 . . GenBank AAB61533 . 'protein kinase MUK2 [Rattus norvegicus]' . . . . . 100.00 544 100.00 100.00 3.48e-04 . . . . 6777 2 . . GenBank AAA65441 . 'p21-activated protein kinase [Homo sapiens]' . . . . . 100.00 545 100.00 100.00 3.46e-04 . . . . 6777 2 . . DBJ BAG51489 . 'unnamed protein product [Homo sapiens]' . . . . . 100.00 522 100.00 100.00 3.37e-04 . . . . 6777 2 . . DBJ BAF85787 . 'unnamed protein product [Homo sapiens]' . . . . . 100.00 553 100.00 100.00 3.57e-04 . . . . 6777 2 . . PDB 1ZSG . 'Beta Pix-Sh3 Complexed With An Atypical Peptide From Alpha- Pak' . . . . . 100.00 22 100.00 100.00 1.98e-03 . . . . 6777 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'alpha-p21 activated kinase' common 6777 2 PAK abbreviation 6777 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 1 183 ASP . 6777 2 2 184 ALA . 6777 2 3 185 THR . 6777 2 4 186 PRO . 6777 2 5 187 PRO . 6777 2 6 188 PRO . 6777 2 7 189 VAL . 6777 2 8 190 ILE . 6777 2 9 191 ALA . 6777 2 10 192 PRO . 6777 2 11 193 ARG . 6777 2 12 194 PRO . 6777 2 13 195 GLU . 6777 2 14 196 HIS . 6777 2 15 197 THR . 6777 2 16 198 LYS . 6777 2 17 199 SER . 6777 2 18 200 VAL . 6777 2 19 201 TYR . 6777 2 20 202 THR . 6777 2 21 203 ARG . 6777 2 22 204 SER . 6777 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 . ASP 1 1 6777 2 . ALA 2 2 6777 2 . THR 3 3 6777 2 . PRO 4 4 6777 2 . PRO 5 5 6777 2 . PRO 6 6 6777 2 . VAL 7 7 6777 2 . ILE 8 8 6777 2 . ALA 9 9 6777 2 . PRO 10 10 6777 2 . ARG 11 11 6777 2 . PRO 12 12 6777 2 . GLU 13 13 6777 2 . HIS 14 14 6777 2 . THR 15 15 6777 2 . LYS 16 16 6777 2 . SER 17 17 6777 2 . VAL 18 18 6777 2 . TYR 19 19 6777 2 . THR 20 20 6777 2 . ARG 21 21 6777 2 . SER 22 22 6777 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 6777 _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 $beta-PIX . 9606 . . 'Hono sapiens' Human . . Eukaryota Metazoa Hono sapiens . . . . . . . . . . . . . . . . . . . . . 6777 1 2 2 $alpha_PAK . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6777 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 6777 _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 $beta-PIX . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6777 1 2 2 $alpha_PAK . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6777 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6777 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 beta-PIX [U-15N] . . 1 $beta-PIX . . 1 . . mM . . . . 6777 1 2 'alpha-p21 activated kinase' . . . 2 $alpha_PAK . . 1.2 . . mM . . . . 6777 1 3 Na2HPO4/NaH2PO4 . . . . . . . 20 . . mM . . . . 6777 1 4 Na2SO4 . . . . . . . 100 . . mM . . . . 6777 1 5 NaN3 . . . . . . . 0.05 . . % . . . . 6777 1 6 H2O . . . . . . . 90 . . % . . . . 6777 1 7 D2O . . . . . . . 10 . . % . . . . 6777 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6777 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 beta-PIX '[U-13C; U-15N]' . . 1 $beta-PIX . . 1 . . mM . . . . 6777 2 2 'alpha-p21 activated kinase' . . . 2 $alpha_PAK . . 1.2 . . mM . . . . 6777 2 3 Na2HPO4/NaH2PO4 . . . . . . . 20 . . mM . . . . 6777 2 4 Na2SO4 . . . . . . . 100 . . mM . . . . 6777 2 5 NaN3 . . . . . . . 0.05 . . % . . . . 6777 2 6 H2O . . . . . . . 90 . . % . . . . 6777 2 7 D2O . . . . . . . 10 . . % . . . . 6777 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6777 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.3 0.2 pH 6777 1 temperature 298 1 K 6777 1 'ionic strength' 100 . mM 6777 1 pressure 1 . atm 6777 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6777 _Software.ID 1 _Software.Name XWINNMR _Software.Version 2.6 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6777 1 stop_ save_ save_AZARA _Software.Sf_category software _Software.Sf_framecode AZARA _Software.Entry_ID 6777 _Software.ID 2 _Software.Name AZARA _Software.Version 2.7 _Software.Details Boucher loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6777 2 stop_ save_ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 6777 _Software.ID 3 _Software.Name ANSIG _Software.Version 3.3 _Software.Details Kraulis loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6777 3 stop_ save_ save_Aria _Software.Sf_category software _Software.Sf_framecode Aria _Software.Entry_ID 6777 _Software.ID 4 _Software.Name Aria _Software.Version 1.2 _Software.Details 'Linge & Nilges' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6777 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 6777 _Software.ID 5 _Software.Name CNS _Software.Version 1.1 _Software.Details 'Brunger et al' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6777 5 refinement 6777 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6777 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6777 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DRX . 800 . . . 6777 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 6777 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6777 1 2 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6777 1 3 '13C,15N-filtered 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6777 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6777 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6777 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6777 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '13C,15N-filtered 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6777 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6777 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6777 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6777 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6777 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6777 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 MET HA H 1 4.478 0.01 . 1 . . . . . . . . 6777 1 2 . 1 1 1 1 MET CB C 13 32.770 0.06 . 1 . . . . . . . . 6777 1 3 . 1 1 1 1 MET HB2 H 1 1.976 0.00 . 1 . . . . . . . . 6777 1 4 . 1 1 1 1 MET HB3 H 1 2.033 0.00 . 1 . . . . . . . . 6777 1 5 . 1 1 1 1 MET CG C 13 31.740 0.01 . 1 . . . . . . . . 6777 1 6 . 1 1 1 1 MET HG2 H 1 2.468 0.01 . 1 . . . . . . . . 6777 1 7 . 1 1 1 1 MET HG3 H 1 2.518 0.01 . 1 . . . . . . . . 6777 1 8 . 1 1 1 1 MET CE C 13 16.810 0.00 . 1 . . . . . . . . 6777 1 9 . 1 1 1 1 MET HE1 H 1 2.028 0.00 . 1 . . . . . . . . 6777 1 10 . 1 1 1 1 MET HE2 H 1 2.028 0.00 . 1 . . . . . . . . 6777 1 11 . 1 1 1 1 MET HE3 H 1 2.028 0.00 . 1 . . . . . . . . 6777 1 12 . 1 1 2 2 THR N N 15 115.120 0.03 . 1 . . . . . . . . 6777 1 13 . 1 1 2 2 THR H H 1 8.311 0.01 . 1 . . . . . . . . 6777 1 14 . 1 1 2 2 THR CA C 13 61.750 0.09 . 1 . . . . . . . . 6777 1 15 . 1 1 2 2 THR HA H 1 4.293 0.01 . 1 . . . . . . . . 6777 1 16 . 1 1 2 2 THR CB C 13 69.710 0.10 . 1 . . . . . . . . 6777 1 17 . 1 1 2 2 THR HB H 1 4.184 0.01 . 1 . . . . . . . . 6777 1 18 . 1 1 2 2 THR CG2 C 13 21.520 0.09 . 1 . . . . . . . . 6777 1 19 . 1 1 2 2 THR HG21 H 1 1.122 0.01 . 1 . . . . . . . . 6777 1 20 . 1 1 2 2 THR HG22 H 1 1.122 0.01 . 1 . . . . . . . . 6777 1 21 . 1 1 2 2 THR HG23 H 1 1.122 0.01 . 1 . . . . . . . . 6777 1 22 . 1 1 3 3 ASP N N 15 122.380 0.02 . 1 . . . . . . . . 6777 1 23 . 1 1 3 3 ASP H H 1 8.276 0.02 . 1 . . . . . . . . 6777 1 24 . 1 1 3 3 ASP CA C 13 54.190 0.09 . 1 . . . . . . . . 6777 1 25 . 1 1 3 3 ASP HA H 1 4.555 0.01 . 1 . . . . . . . . 6777 1 26 . 1 1 3 3 ASP CB C 13 41.050 0.06 . 1 . . . . . . . . 6777 1 27 . 1 1 3 3 ASP HB2 H 1 2.634 0.01 . 2 . . . . . . . . 6777 1 28 . 1 1 4 4 ASN N N 15 119.380 0.03 . 1 . . . . . . . . 6777 1 29 . 1 1 4 4 ASN H H 1 8.363 0.02 . 1 . . . . . . . . 6777 1 30 . 1 1 4 4 ASN CA C 13 53.230 0.01 . 1 . . . . . . . . 6777 1 31 . 1 1 4 4 ASN HA H 1 4.669 0.02 . 1 . . . . . . . . 6777 1 32 . 1 1 4 4 ASN CB C 13 38.660 0.14 . 1 . . . . . . . . 6777 1 33 . 1 1 4 4 ASN HB2 H 1 2.712 0.04 . 1 . . . . . . . . 6777 1 34 . 1 1 4 4 ASN HB3 H 1 2.804 0.00 . 1 . . . . . . . . 6777 1 35 . 1 1 5 5 SER N N 15 115.860 0.03 . 1 . . . . . . . . 6777 1 36 . 1 1 5 5 SER H H 1 8.297 0.02 . 1 . . . . . . . . 6777 1 37 . 1 1 5 5 SER CA C 13 59.090 0.09 . 1 . . . . . . . . 6777 1 38 . 1 1 5 5 SER HA H 1 4.298 0.01 . 1 . . . . . . . . 6777 1 39 . 1 1 5 5 SER CB C 13 63.540 0.12 . 1 . . . . . . . . 6777 1 40 . 1 1 5 5 SER HB2 H 1 3.804 0.01 . 1 . . . . . . . . 6777 1 41 . 1 1 5 5 SER HB3 H 1 3.833 0.00 . 1 . . . . . . . . 6777 1 42 . 1 1 6 6 ASN N N 15 119.500 0.02 . 1 . . . . . . . . 6777 1 43 . 1 1 6 6 ASN H H 1 8.327 0.01 . 1 . . . . . . . . 6777 1 44 . 1 1 6 6 ASN CA C 13 53.320 0.05 . 1 . . . . . . . . 6777 1 45 . 1 1 6 6 ASN HA H 1 4.653 0.01 . 1 . . . . . . . . 6777 1 46 . 1 1 6 6 ASN CB C 13 38.590 0.08 . 1 . . . . . . . . 6777 1 47 . 1 1 6 6 ASN HB2 H 1 2.692 0.01 . 1 . . . . . . . . 6777 1 48 . 1 1 6 6 ASN HB3 H 1 2.787 0.01 . 1 . . . . . . . . 6777 1 49 . 1 1 6 6 ASN ND2 N 15 112.430 0.00 . 1 . . . . . . . . 6777 1 50 . 1 1 6 6 ASN HD21 H 1 6.824 0.01 . 1 . . . . . . . . 6777 1 51 . 1 1 6 6 ASN HD22 H 1 7.513 0.02 . 1 . . . . . . . . 6777 1 52 . 1 1 7 7 ASN N N 15 118.390 0.02 . 1 . . . . . . . . 6777 1 53 . 1 1 7 7 ASN H H 1 8.175 0.01 . 1 . . . . . . . . 6777 1 54 . 1 1 7 7 ASN CA C 13 53.190 0.12 . 1 . . . . . . . . 6777 1 55 . 1 1 7 7 ASN HA H 1 4.627 0.01 . 1 . . . . . . . . 6777 1 56 . 1 1 7 7 ASN CB C 13 38.690 0.08 . 1 . . . . . . . . 6777 1 57 . 1 1 7 7 ASN HB2 H 1 2.658 0.01 . 1 . . . . . . . . 6777 1 58 . 1 1 7 7 ASN HB3 H 1 2.738 0.01 . 1 . . . . . . . . 6777 1 59 . 1 1 7 7 ASN ND2 N 15 112.310 0.03 . 1 . . . . . . . . 6777 1 60 . 1 1 7 7 ASN HD21 H 1 6.797 0.01 . 1 . . . . . . . . 6777 1 61 . 1 1 7 7 ASN HD22 H 1 7.478 0.01 . 1 . . . . . . . . 6777 1 62 . 1 1 8 8 GLN N N 15 120.060 0.07 . 1 . . . . . . . . 6777 1 63 . 1 1 8 8 GLN H H 1 8.083 0.01 . 1 . . . . . . . . 6777 1 64 . 1 1 8 8 GLN CA C 13 55.520 0.10 . 1 . . . . . . . . 6777 1 65 . 1 1 8 8 GLN HA H 1 4.285 0.01 . 1 . . . . . . . . 6777 1 66 . 1 1 8 8 GLN CB C 13 29.570 0.06 . 1 . . . . . . . . 6777 1 67 . 1 1 8 8 GLN HB2 H 1 1.874 0.01 . 1 . . . . . . . . 6777 1 68 . 1 1 8 8 GLN HB3 H 1 2.019 0.01 . 1 . . . . . . . . 6777 1 69 . 1 1 8 8 GLN CG C 13 33.800 0.07 . 1 . . . . . . . . 6777 1 70 . 1 1 8 8 GLN NE2 N 15 111.670 0.02 . 1 . . . . . . . . 6777 1 71 . 1 1 8 8 GLN HE21 H 1 6.781 0.02 . 1 . . . . . . . . 6777 1 72 . 1 1 8 8 GLN HE22 H 1 7.329 0.02 . 1 . . . . . . . . 6777 1 73 . 1 1 8 8 GLN HG2 H 1 2.278 0.01 . 2 . . . . . . . . 6777 1 74 . 1 1 9 9 LEU N N 15 125.150 0.08 . 1 . . . . . . . . 6777 1 75 . 1 1 9 9 LEU H H 1 8.372 0.02 . 1 . . . . . . . . 6777 1 76 . 1 1 9 9 LEU CA C 13 55.300 0.12 . 1 . . . . . . . . 6777 1 77 . 1 1 9 9 LEU HA H 1 4.344 0.01 . 1 . . . . . . . . 6777 1 78 . 1 1 9 9 LEU CB C 13 42.810 0.08 . 1 . . . . . . . . 6777 1 79 . 1 1 9 9 LEU HB2 H 1 1.327 0.01 . 1 . . . . . . . . 6777 1 80 . 1 1 9 9 LEU HB3 H 1 1.503 0.01 . 1 . . . . . . . . 6777 1 81 . 1 1 9 9 LEU CG C 13 27.130 0.09 . 1 . . . . . . . . 6777 1 82 . 1 1 9 9 LEU HG H 1 1.314 0.01 . 1 . . . . . . . . 6777 1 83 . 1 1 9 9 LEU CD1 C 13 25.200 0.07 . 1 . . . . . . . . 6777 1 84 . 1 1 9 9 LEU HD11 H 1 0.568 0.01 . 2 . . . . . . . . 6777 1 85 . 1 1 9 9 LEU HD12 H 1 0.568 0.01 . 2 . . . . . . . . 6777 1 86 . 1 1 9 9 LEU HD13 H 1 0.568 0.01 . 2 . . . . . . . . 6777 1 87 . 1 1 9 9 LEU CD2 C 13 23.640 0.07 . 1 . . . . . . . . 6777 1 88 . 1 1 9 9 LEU HD21 H 1 0.770 0.01 . 2 . . . . . . . . 6777 1 89 . 1 1 9 9 LEU HD22 H 1 0.770 0.01 . 2 . . . . . . . . 6777 1 90 . 1 1 9 9 LEU HD23 H 1 0.770 0.01 . 2 . . . . . . . . 6777 1 91 . 1 1 10 10 VAL N N 15 126.530 0.05 . 1 . . . . . . . . 6777 1 92 . 1 1 10 10 VAL H H 1 8.546 0.02 . 1 . . . . . . . . 6777 1 93 . 1 1 10 10 VAL CA C 13 61.080 0.12 . 1 . . . . . . . . 6777 1 94 . 1 1 10 10 VAL HA H 1 4.563 0.01 . 1 . . . . . . . . 6777 1 95 . 1 1 10 10 VAL CB C 13 33.410 0.09 . 1 . . . . . . . . 6777 1 96 . 1 1 10 10 VAL HB H 1 1.750 0.01 . 1 . . . . . . . . 6777 1 97 . 1 1 10 10 VAL CG1 C 13 21.710 0.07 . 1 . . . . . . . . 6777 1 98 . 1 1 10 10 VAL HG11 H 1 0.494 0.01 . 2 . . . . . . . . 6777 1 99 . 1 1 10 10 VAL HG12 H 1 0.494 0.01 . 2 . . . . . . . . 6777 1 100 . 1 1 10 10 VAL HG13 H 1 0.494 0.01 . 2 . . . . . . . . 6777 1 101 . 1 1 10 10 VAL CG2 C 13 20.700 0.08 . 1 . . . . . . . . 6777 1 102 . 1 1 10 10 VAL HG21 H 1 0.595 0.00 . 2 . . . . . . . . 6777 1 103 . 1 1 10 10 VAL HG22 H 1 0.595 0.00 . 2 . . . . . . . . 6777 1 104 . 1 1 10 10 VAL HG23 H 1 0.595 0.00 . 2 . . . . . . . . 6777 1 105 . 1 1 11 11 VAL N N 15 115.570 0.05 . 1 . . . . . . . . 6777 1 106 . 1 1 11 11 VAL H H 1 8.592 0.02 . 1 . . . . . . . . 6777 1 107 . 1 1 11 11 VAL CA C 13 57.490 0.12 . 1 . . . . . . . . 6777 1 108 . 1 1 11 11 VAL HA H 1 5.080 0.01 . 1 . . . . . . . . 6777 1 109 . 1 1 11 11 VAL CB C 13 35.730 0.07 . 1 . . . . . . . . 6777 1 110 . 1 1 11 11 VAL HB H 1 1.789 0.01 . 1 . . . . . . . . 6777 1 111 . 1 1 11 11 VAL CG1 C 13 19.100 0.06 . 1 . . . . . . . . 6777 1 112 . 1 1 11 11 VAL HG11 H 1 0.578 0.01 . 2 . . . . . . . . 6777 1 113 . 1 1 11 11 VAL HG12 H 1 0.578 0.01 . 2 . . . . . . . . 6777 1 114 . 1 1 11 11 VAL HG13 H 1 0.578 0.01 . 2 . . . . . . . . 6777 1 115 . 1 1 11 11 VAL CG2 C 13 21.280 0.08 . 1 . . . . . . . . 6777 1 116 . 1 1 11 11 VAL HG21 H 1 0.899 0.01 . 2 . . . . . . . . 6777 1 117 . 1 1 11 11 VAL HG22 H 1 0.899 0.01 . 2 . . . . . . . . 6777 1 118 . 1 1 11 11 VAL HG23 H 1 0.899 0.01 . 2 . . . . . . . . 6777 1 119 . 1 1 12 12 ARG N N 15 119.710 0.03 . 1 . . . . . . . . 6777 1 120 . 1 1 12 12 ARG H H 1 9.005 0.02 . 1 . . . . . . . . 6777 1 121 . 1 1 12 12 ARG CA C 13 52.850 0.09 . 1 . . . . . . . . 6777 1 122 . 1 1 12 12 ARG HA H 1 5.156 0.01 . 1 . . . . . . . . 6777 1 123 . 1 1 12 12 ARG CB C 13 33.530 0.12 . 1 . . . . . . . . 6777 1 124 . 1 1 12 12 ARG HB2 H 1 1.321 0.01 . 1 . . . . . . . . 6777 1 125 . 1 1 12 12 ARG HB3 H 1 1.410 0.01 . 1 . . . . . . . . 6777 1 126 . 1 1 12 12 ARG CG C 13 27.160 0.09 . 1 . . . . . . . . 6777 1 127 . 1 1 12 12 ARG CD C 13 43.260 0.06 . 1 . . . . . . . . 6777 1 128 . 1 1 12 12 ARG HD2 H 1 2.971 0.01 . 1 . . . . . . . . 6777 1 129 . 1 1 12 12 ARG HD3 H 1 3.072 0.01 . 1 . . . . . . . . 6777 1 130 . 1 1 12 12 ARG HE H 1 7.137 0.00 . 1 . . . . . . . . 6777 1 131 . 1 1 12 12 ARG HG2 H 1 1.249 0.01 . 2 . . . . . . . . 6777 1 132 . 1 1 13 13 ALA N N 15 127.770 0.04 . 1 . . . . . . . . 6777 1 133 . 1 1 13 13 ALA H H 1 8.898 0.02 . 1 . . . . . . . . 6777 1 134 . 1 1 13 13 ALA CA C 13 52.740 0.12 . 1 . . . . . . . . 6777 1 135 . 1 1 13 13 ALA HA H 1 4.116 0.01 . 1 . . . . . . . . 6777 1 136 . 1 1 13 13 ALA CB C 13 20.310 0.09 . 1 . . . . . . . . 6777 1 137 . 1 1 13 13 ALA HB1 H 1 1.280 0.01 . 1 . . . . . . . . 6777 1 138 . 1 1 13 13 ALA HB2 H 1 1.280 0.01 . 1 . . . . . . . . 6777 1 139 . 1 1 13 13 ALA HB3 H 1 1.280 0.01 . 1 . . . . . . . . 6777 1 140 . 1 1 14 14 LYS N N 15 125.110 0.05 . 1 . . . . . . . . 6777 1 141 . 1 1 14 14 LYS H H 1 9.395 0.02 . 1 . . . . . . . . 6777 1 142 . 1 1 14 14 LYS CA C 13 56.450 0.12 . 1 . . . . . . . . 6777 1 143 . 1 1 14 14 LYS HA H 1 3.892 0.01 . 1 . . . . . . . . 6777 1 144 . 1 1 14 14 LYS CB C 13 33.690 0.09 . 1 . . . . . . . . 6777 1 145 . 1 1 14 14 LYS CG C 13 24.680 0.10 . 1 . . . . . . . . 6777 1 146 . 1 1 14 14 LYS HG2 H 1 0.906 0.01 . 1 . . . . . . . . 6777 1 147 . 1 1 14 14 LYS HG3 H 1 0.937 0.01 . 1 . . . . . . . . 6777 1 148 . 1 1 14 14 LYS CD C 13 28.920 0.11 . 1 . . . . . . . . 6777 1 149 . 1 1 14 14 LYS HD2 H 1 1.261 0.01 . 1 . . . . . . . . 6777 1 150 . 1 1 14 14 LYS HD3 H 1 1.365 0.01 . 1 . . . . . . . . 6777 1 151 . 1 1 14 14 LYS CE C 13 41.220 0.13 . 1 . . . . . . . . 6777 1 152 . 1 1 14 14 LYS HE2 H 1 2.601 0.01 . 1 . . . . . . . . 6777 1 153 . 1 1 14 14 LYS HE3 H 1 2.650 0.01 . 1 . . . . . . . . 6777 1 154 . 1 1 14 14 LYS HB2 H 1 0.941 0.01 . 2 . . . . . . . . 6777 1 155 . 1 1 15 15 PHE N N 15 112.420 0.04 . 1 . . . . . . . . 6777 1 156 . 1 1 15 15 PHE H H 1 7.139 0.02 . 1 . . . . . . . . 6777 1 157 . 1 1 15 15 PHE CA C 13 54.300 0.05 . 1 . . . . . . . . 6777 1 158 . 1 1 15 15 PHE HA H 1 4.740 0.01 . 1 . . . . . . . . 6777 1 159 . 1 1 15 15 PHE CB C 13 43.920 0.09 . 1 . . . . . . . . 6777 1 160 . 1 1 15 15 PHE HB2 H 1 2.385 0.01 . 1 . . . . . . . . 6777 1 161 . 1 1 15 15 PHE HB3 H 1 3.290 0.01 . 1 . . . . . . . . 6777 1 162 . 1 1 15 15 PHE CZ C 13 129.410 0.14 . 1 . . . . . . . . 6777 1 163 . 1 1 15 15 PHE HZ H 1 7.080 0.00 . 1 . . . . . . . . 6777 1 164 . 1 1 15 15 PHE CD1 C 13 132.210 0.10 . 3 . . . . . . . . 6777 1 165 . 1 1 15 15 PHE HD1 H 1 6.809 0.01 . 3 . . . . . . . . 6777 1 166 . 1 1 15 15 PHE CE1 C 13 130.770 0.09 . 3 . . . . . . . . 6777 1 167 . 1 1 15 15 PHE HE1 H 1 7.062 0.01 . 3 . . . . . . . . 6777 1 168 . 1 1 16 16 ASN N N 15 116.120 0.04 . 1 . . . . . . . . 6777 1 169 . 1 1 16 16 ASN H H 1 8.618 0.02 . 1 . . . . . . . . 6777 1 170 . 1 1 16 16 ASN CA C 13 53.150 0.12 . 1 . . . . . . . . 6777 1 171 . 1 1 16 16 ASN HA H 1 4.837 0.01 . 1 . . . . . . . . 6777 1 172 . 1 1 16 16 ASN CB C 13 38.850 0.10 . 1 . . . . . . . . 6777 1 173 . 1 1 16 16 ASN HB2 H 1 2.808 0.01 . 1 . . . . . . . . 6777 1 174 . 1 1 16 16 ASN HB3 H 1 2.960 0.01 . 1 . . . . . . . . 6777 1 175 . 1 1 16 16 ASN ND2 N 15 113.610 0.03 . 1 . . . . . . . . 6777 1 176 . 1 1 16 16 ASN HD21 H 1 6.909 0.02 . 1 . . . . . . . . 6777 1 177 . 1 1 16 16 ASN HD22 H 1 7.743 0.02 . 1 . . . . . . . . 6777 1 178 . 1 1 17 17 PHE N N 15 120.200 0.02 . 1 . . . . . . . . 6777 1 179 . 1 1 17 17 PHE H H 1 8.498 0.02 . 1 . . . . . . . . 6777 1 180 . 1 1 17 17 PHE CA C 13 57.800 0.05 . 1 . . . . . . . . 6777 1 181 . 1 1 17 17 PHE HA H 1 4.646 0.01 . 1 . . . . . . . . 6777 1 182 . 1 1 17 17 PHE CB C 13 42.840 0.08 . 1 . . . . . . . . 6777 1 183 . 1 1 17 17 PHE HB2 H 1 1.057 0.01 . 1 . . . . . . . . 6777 1 184 . 1 1 17 17 PHE HB3 H 1 2.577 0.01 . 1 . . . . . . . . 6777 1 185 . 1 1 17 17 PHE CZ C 13 130.000 0.03 . 1 . . . . . . . . 6777 1 186 . 1 1 17 17 PHE HZ H 1 7.608 0.01 . 1 . . . . . . . . 6777 1 187 . 1 1 17 17 PHE CD1 C 13 132.120 0.11 . 3 . . . . . . . . 6777 1 188 . 1 1 17 17 PHE HD1 H 1 6.866 0.01 . 3 . . . . . . . . 6777 1 189 . 1 1 17 17 PHE CE1 C 13 131.210 0.05 . 3 . . . . . . . . 6777 1 190 . 1 1 17 17 PHE HE1 H 1 7.363 0.01 . 3 . . . . . . . . 6777 1 191 . 1 1 18 18 GLN N N 15 127.730 0.03 . 1 . . . . . . . . 6777 1 192 . 1 1 18 18 GLN H H 1 7.328 0.02 . 1 . . . . . . . . 6777 1 193 . 1 1 18 18 GLN CA C 13 52.980 0.09 . 1 . . . . . . . . 6777 1 194 . 1 1 18 18 GLN HA H 1 4.194 0.01 . 1 . . . . . . . . 6777 1 195 . 1 1 18 18 GLN CB C 13 29.810 0.09 . 1 . . . . . . . . 6777 1 196 . 1 1 18 18 GLN CG C 13 33.270 0.07 . 1 . . . . . . . . 6777 1 197 . 1 1 18 18 GLN HG2 H 1 2.133 0.01 . 1 . . . . . . . . 6777 1 198 . 1 1 18 18 GLN HG3 H 1 2.174 0.01 . 1 . . . . . . . . 6777 1 199 . 1 1 18 18 GLN NE2 N 15 111.970 0.02 . 1 . . . . . . . . 6777 1 200 . 1 1 18 18 GLN HE21 H 1 6.746 0.01 . 1 . . . . . . . . 6777 1 201 . 1 1 18 18 GLN HE22 H 1 7.438 0.02 . 1 . . . . . . . . 6777 1 202 . 1 1 18 18 GLN HB2 H 1 1.637 0.01 . 2 . . . . . . . . 6777 1 203 . 1 1 19 19 GLN N N 15 121.230 0.04 . 1 . . . . . . . . 6777 1 204 . 1 1 19 19 GLN H H 1 7.972 0.02 . 1 . . . . . . . . 6777 1 205 . 1 1 19 19 GLN CA C 13 55.620 0.10 . 1 . . . . . . . . 6777 1 206 . 1 1 19 19 GLN HA H 1 4.021 0.01 . 1 . . . . . . . . 6777 1 207 . 1 1 19 19 GLN CB C 13 29.440 0.10 . 1 . . . . . . . . 6777 1 208 . 1 1 19 19 GLN HB2 H 1 1.952 0.01 . 1 . . . . . . . . 6777 1 209 . 1 1 19 19 GLN HB3 H 1 2.479 0.01 . 1 . . . . . . . . 6777 1 210 . 1 1 19 19 GLN CG C 13 32.840 0.09 . 1 . . . . . . . . 6777 1 211 . 1 1 19 19 GLN HG2 H 1 1.964 0.01 . 1 . . . . . . . . 6777 1 212 . 1 1 19 19 GLN HG3 H 1 2.018 0.01 . 1 . . . . . . . . 6777 1 213 . 1 1 19 19 GLN NE2 N 15 112.990 0.02 . 1 . . . . . . . . 6777 1 214 . 1 1 19 19 GLN HE21 H 1 6.953 0.01 . 1 . . . . . . . . 6777 1 215 . 1 1 19 19 GLN HE22 H 1 7.430 0.02 . 1 . . . . . . . . 6777 1 216 . 1 1 20 20 THR N N 15 113.580 0.04 . 1 . . . . . . . . 6777 1 217 . 1 1 20 20 THR H H 1 9.047 0.01 . 1 . . . . . . . . 6777 1 218 . 1 1 20 20 THR CA C 13 61.730 0.09 . 1 . . . . . . . . 6777 1 219 . 1 1 20 20 THR HA H 1 4.467 0.01 . 1 . . . . . . . . 6777 1 220 . 1 1 20 20 THR CB C 13 69.840 0.13 . 1 . . . . . . . . 6777 1 221 . 1 1 20 20 THR HB H 1 4.315 0.01 . 1 . . . . . . . . 6777 1 222 . 1 1 20 20 THR CG2 C 13 22.040 0.08 . 1 . . . . . . . . 6777 1 223 . 1 1 20 20 THR HG21 H 1 1.230 0.01 . 1 . . . . . . . . 6777 1 224 . 1 1 20 20 THR HG22 H 1 1.230 0.01 . 1 . . . . . . . . 6777 1 225 . 1 1 20 20 THR HG23 H 1 1.230 0.01 . 1 . . . . . . . . 6777 1 226 . 1 1 21 21 ASN N N 15 118.190 0.05 . 1 . . . . . . . . 6777 1 227 . 1 1 21 21 ASN H H 1 7.516 0.01 . 1 . . . . . . . . 6777 1 228 . 1 1 21 21 ASN CA C 13 52.190 0.03 . 1 . . . . . . . . 6777 1 229 . 1 1 21 21 ASN HA H 1 4.857 0.01 . 1 . . . . . . . . 6777 1 230 . 1 1 21 21 ASN CB C 13 43.370 0.08 . 1 . . . . . . . . 6777 1 231 . 1 1 21 21 ASN HB2 H 1 2.335 0.01 . 1 . . . . . . . . 6777 1 232 . 1 1 21 21 ASN HB3 H 1 2.657 0.01 . 1 . . . . . . . . 6777 1 233 . 1 1 21 21 ASN ND2 N 15 116.350 0.02 . 1 . . . . . . . . 6777 1 234 . 1 1 21 21 ASN HD21 H 1 6.628 0.01 . 1 . . . . . . . . 6777 1 235 . 1 1 21 21 ASN HD22 H 1 7.801 0.01 . 1 . . . . . . . . 6777 1 236 . 1 1 22 22 GLU N N 15 118.580 0.05 . 1 . . . . . . . . 6777 1 237 . 1 1 22 22 GLU H H 1 8.931 0.01 . 1 . . . . . . . . 6777 1 238 . 1 1 22 22 GLU CA C 13 58.750 0.12 . 1 . . . . . . . . 6777 1 239 . 1 1 22 22 GLU HA H 1 4.042 0.01 . 1 . . . . . . . . 6777 1 240 . 1 1 22 22 GLU CB C 13 29.500 0.09 . 1 . . . . . . . . 6777 1 241 . 1 1 22 22 GLU HB2 H 1 2.059 0.01 . 1 . . . . . . . . 6777 1 242 . 1 1 22 22 GLU HB3 H 1 2.111 0.01 . 1 . . . . . . . . 6777 1 243 . 1 1 22 22 GLU CG C 13 36.070 0.08 . 1 . . . . . . . . 6777 1 244 . 1 1 22 22 GLU HG2 H 1 2.317 0.01 . 2 . . . . . . . . 6777 1 245 . 1 1 23 23 ASP N N 15 115.920 0.04 . 1 . . . . . . . . 6777 1 246 . 1 1 23 23 ASP H H 1 8.060 0.02 . 1 . . . . . . . . 6777 1 247 . 1 1 23 23 ASP CA C 13 52.660 0.10 . 1 . . . . . . . . 6777 1 248 . 1 1 23 23 ASP HA H 1 4.907 0.01 . 1 . . . . . . . . 6777 1 249 . 1 1 23 23 ASP CB C 13 39.670 0.09 . 1 . . . . . . . . 6777 1 250 . 1 1 23 23 ASP HB2 H 1 2.634 0.01 . 1 . . . . . . . . 6777 1 251 . 1 1 23 23 ASP HB3 H 1 3.381 0.01 . 1 . . . . . . . . 6777 1 252 . 1 1 24 24 GLU N N 15 117.580 0.04 . 1 . . . . . . . . 6777 1 253 . 1 1 24 24 GLU H H 1 7.340 0.02 . 1 . . . . . . . . 6777 1 254 . 1 1 24 24 GLU CA C 13 54.220 0.13 . 1 . . . . . . . . 6777 1 255 . 1 1 24 24 GLU HA H 1 5.575 0.01 . 1 . . . . . . . . 6777 1 256 . 1 1 24 24 GLU CB C 13 32.360 0.12 . 1 . . . . . . . . 6777 1 257 . 1 1 24 24 GLU HB2 H 1 2.330 0.01 . 1 . . . . . . . . 6777 1 258 . 1 1 24 24 GLU HB3 H 1 2.637 0.01 . 1 . . . . . . . . 6777 1 259 . 1 1 24 24 GLU CG C 13 36.910 0.09 . 1 . . . . . . . . 6777 1 260 . 1 1 24 24 GLU HG2 H 1 2.278 0.01 . 1 . . . . . . . . 6777 1 261 . 1 1 24 24 GLU HG3 H 1 2.502 0.01 . 1 . . . . . . . . 6777 1 262 . 1 1 25 25 LEU N N 15 122.120 0.02 . 1 . . . . . . . . 6777 1 263 . 1 1 25 25 LEU H H 1 8.758 0.01 . 1 . . . . . . . . 6777 1 264 . 1 1 25 25 LEU CA C 13 53.920 0.14 . 1 . . . . . . . . 6777 1 265 . 1 1 25 25 LEU HA H 1 4.481 0.01 . 1 . . . . . . . . 6777 1 266 . 1 1 25 25 LEU CB C 13 45.460 0.12 . 1 . . . . . . . . 6777 1 267 . 1 1 25 25 LEU HB2 H 1 1.437 0.01 . 1 . . . . . . . . 6777 1 268 . 1 1 25 25 LEU HB3 H 1 1.779 0.01 . 1 . . . . . . . . 6777 1 269 . 1 1 25 25 LEU CG C 13 26.680 0.07 . 1 . . . . . . . . 6777 1 270 . 1 1 25 25 LEU HG H 1 1.596 0.01 . 1 . . . . . . . . 6777 1 271 . 1 1 25 25 LEU CD1 C 13 23.180 0.05 . 1 . . . . . . . . 6777 1 272 . 1 1 25 25 LEU HD11 H 1 0.817 0.00 . 2 . . . . . . . . 6777 1 273 . 1 1 25 25 LEU HD12 H 1 0.817 0.00 . 2 . . . . . . . . 6777 1 274 . 1 1 25 25 LEU HD13 H 1 0.817 0.00 . 2 . . . . . . . . 6777 1 275 . 1 1 25 25 LEU CD2 C 13 25.060 0.04 . 1 . . . . . . . . 6777 1 276 . 1 1 25 25 LEU HD21 H 1 0.822 0.00 . 2 . . . . . . . . 6777 1 277 . 1 1 25 25 LEU HD22 H 1 0.822 0.00 . 2 . . . . . . . . 6777 1 278 . 1 1 25 25 LEU HD23 H 1 0.822 0.00 . 2 . . . . . . . . 6777 1 279 . 1 1 26 26 SER N N 15 112.360 0.04 . 1 . . . . . . . . 6777 1 280 . 1 1 26 26 SER H H 1 7.383 0.02 . 1 . . . . . . . . 6777 1 281 . 1 1 26 26 SER CA C 13 58.350 0.07 . 1 . . . . . . . . 6777 1 282 . 1 1 26 26 SER HA H 1 4.798 0.02 . 1 . . . . . . . . 6777 1 283 . 1 1 26 26 SER CB C 13 65.200 0.10 . 1 . . . . . . . . 6777 1 284 . 1 1 26 26 SER HB2 H 1 3.688 0.01 . 1 . . . . . . . . 6777 1 285 . 1 1 26 26 SER HB3 H 1 3.949 0.01 . 1 . . . . . . . . 6777 1 286 . 1 1 27 27 PHE N N 15 116.310 0.05 . 1 . . . . . . . . 6777 1 287 . 1 1 27 27 PHE H H 1 8.854 0.02 . 1 . . . . . . . . 6777 1 288 . 1 1 27 27 PHE CA C 13 55.910 0.12 . 1 . . . . . . . . 6777 1 289 . 1 1 27 27 PHE HA H 1 4.862 0.01 . 1 . . . . . . . . 6777 1 290 . 1 1 27 27 PHE CB C 13 40.250 0.06 . 1 . . . . . . . . 6777 1 291 . 1 1 27 27 PHE HB2 H 1 3.197 0.01 . 1 . . . . . . . . 6777 1 292 . 1 1 27 27 PHE HB3 H 1 3.314 0.01 . 1 . . . . . . . . 6777 1 293 . 1 1 27 27 PHE CZ C 13 127.370 0.09 . 1 . . . . . . . . 6777 1 294 . 1 1 27 27 PHE HZ H 1 6.705 0.01 . 1 . . . . . . . . 6777 1 295 . 1 1 27 27 PHE CD1 C 13 132.760 0.04 . 3 . . . . . . . . 6777 1 296 . 1 1 27 27 PHE HD1 H 1 6.793 0.01 . 3 . . . . . . . . 6777 1 297 . 1 1 27 27 PHE CE1 C 13 131.140 0.06 . 3 . . . . . . . . 6777 1 298 . 1 1 27 27 PHE HE1 H 1 7.254 0.01 . 3 . . . . . . . . 6777 1 299 . 1 1 28 28 SER N N 15 117.080 0.03 . 1 . . . . . . . . 6777 1 300 . 1 1 28 28 SER H H 1 9.498 0.01 . 1 . . . . . . . . 6777 1 301 . 1 1 28 28 SER CA C 13 56.290 0.10 . 1 . . . . . . . . 6777 1 302 . 1 1 28 28 SER HA H 1 5.163 0.01 . 1 . . . . . . . . 6777 1 303 . 1 1 28 28 SER CB C 13 65.330 0.11 . 1 . . . . . . . . 6777 1 304 . 1 1 28 28 SER HB2 H 1 3.579 0.01 . 1 . . . . . . . . 6777 1 305 . 1 1 28 28 SER HB3 H 1 3.814 0.01 . 1 . . . . . . . . 6777 1 306 . 1 1 29 29 LYS N N 15 122.300 0.02 . 1 . . . . . . . . 6777 1 307 . 1 1 29 29 LYS H H 1 8.415 0.02 . 1 . . . . . . . . 6777 1 308 . 1 1 29 29 LYS CA C 13 58.510 0.09 . 1 . . . . . . . . 6777 1 309 . 1 1 29 29 LYS HA H 1 3.230 0.01 . 1 . . . . . . . . 6777 1 310 . 1 1 29 29 LYS CB C 13 32.290 0.09 . 1 . . . . . . . . 6777 1 311 . 1 1 29 29 LYS HB2 H 1 1.317 0.02 . 1 . . . . . . . . 6777 1 312 . 1 1 29 29 LYS HB3 H 1 1.559 0.01 . 1 . . . . . . . . 6777 1 313 . 1 1 29 29 LYS CG C 13 24.250 0.08 . 1 . . . . . . . . 6777 1 314 . 1 1 29 29 LYS CD C 13 29.370 0.07 . 1 . . . . . . . . 6777 1 315 . 1 1 29 29 LYS CE C 13 41.790 0.09 . 1 . . . . . . . . 6777 1 316 . 1 1 29 29 LYS HE2 H 1 2.823 0.01 . 1 . . . . . . . . 6777 1 317 . 1 1 29 29 LYS HE3 H 1 2.867 0.00 . 1 . . . . . . . . 6777 1 318 . 1 1 29 29 LYS HG2 H 1 1.019 0.01 . 2 . . . . . . . . 6777 1 319 . 1 1 29 29 LYS HD2 H 1 1.541 0.01 . 2 . . . . . . . . 6777 1 320 . 1 1 30 30 GLY N N 15 114.930 0.03 . 1 . . . . . . . . 6777 1 321 . 1 1 30 30 GLY H H 1 8.726 0.01 . 1 . . . . . . . . 6777 1 322 . 1 1 30 30 GLY CA C 13 44.550 0.10 . 1 . . . . . . . . 6777 1 323 . 1 1 30 30 GLY HA2 H 1 3.311 0.01 . 1 . . . . . . . . 6777 1 324 . 1 1 30 30 GLY HA3 H 1 4.445 0.01 . 1 . . . . . . . . 6777 1 325 . 1 1 31 31 ASP N N 15 122.330 0.03 . 1 . . . . . . . . 6777 1 326 . 1 1 31 31 ASP H H 1 8.185 0.01 . 1 . . . . . . . . 6777 1 327 . 1 1 31 31 ASP CA C 13 55.670 0.12 . 1 . . . . . . . . 6777 1 328 . 1 1 31 31 ASP HA H 1 4.523 0.01 . 1 . . . . . . . . 6777 1 329 . 1 1 31 31 ASP CB C 13 41.200 0.09 . 1 . . . . . . . . 6777 1 330 . 1 1 31 31 ASP HB2 H 1 2.359 0.01 . 1 . . . . . . . . 6777 1 331 . 1 1 31 31 ASP HB3 H 1 2.701 0.01 . 1 . . . . . . . . 6777 1 332 . 1 1 32 32 VAL N N 15 120.390 0.05 . 1 . . . . . . . . 6777 1 333 . 1 1 32 32 VAL H H 1 8.171 0.02 . 1 . . . . . . . . 6777 1 334 . 1 1 32 32 VAL CA C 13 61.620 0.11 . 1 . . . . . . . . 6777 1 335 . 1 1 32 32 VAL HA H 1 4.554 0.01 . 1 . . . . . . . . 6777 1 336 . 1 1 32 32 VAL CB C 13 32.440 0.11 . 1 . . . . . . . . 6777 1 337 . 1 1 32 32 VAL HB H 1 1.792 0.01 . 1 . . . . . . . . 6777 1 338 . 1 1 32 32 VAL CG1 C 13 21.200 0.07 . 1 . . . . . . . . 6777 1 339 . 1 1 32 32 VAL HG11 H 1 0.642 0.01 . 2 . . . . . . . . 6777 1 340 . 1 1 32 32 VAL HG12 H 1 0.642 0.01 . 2 . . . . . . . . 6777 1 341 . 1 1 32 32 VAL HG13 H 1 0.642 0.01 . 2 . . . . . . . . 6777 1 342 . 1 1 32 32 VAL CG2 C 13 21.130 0.04 . 1 . . . . . . . . 6777 1 343 . 1 1 32 32 VAL HG21 H 1 0.835 0.01 . 2 . . . . . . . . 6777 1 344 . 1 1 32 32 VAL HG22 H 1 0.835 0.01 . 2 . . . . . . . . 6777 1 345 . 1 1 32 32 VAL HG23 H 1 0.835 0.01 . 2 . . . . . . . . 6777 1 346 . 1 1 33 33 ILE N N 15 127.860 0.03 . 1 . . . . . . . . 6777 1 347 . 1 1 33 33 ILE H H 1 8.820 0.02 . 1 . . . . . . . . 6777 1 348 . 1 1 33 33 ILE CA C 13 60.120 0.11 . 1 . . . . . . . . 6777 1 349 . 1 1 33 33 ILE HA H 1 4.145 0.01 . 1 . . . . . . . . 6777 1 350 . 1 1 33 33 ILE CB C 13 41.490 0.09 . 1 . . . . . . . . 6777 1 351 . 1 1 33 33 ILE HB H 1 0.948 0.01 . 1 . . . . . . . . 6777 1 352 . 1 1 33 33 ILE CG1 C 13 28.560 0.10 . 1 . . . . . . . . 6777 1 353 . 1 1 33 33 ILE HG12 H 1 0.297 0.01 . 1 . . . . . . . . 6777 1 354 . 1 1 33 33 ILE HG13 H 1 0.871 0.01 . 1 . . . . . . . . 6777 1 355 . 1 1 33 33 ILE CG2 C 13 17.820 0.07 . 1 . . . . . . . . 6777 1 356 . 1 1 33 33 ILE HG21 H 1 0.315 0.01 . 1 . . . . . . . . 6777 1 357 . 1 1 33 33 ILE HG22 H 1 0.315 0.01 . 1 . . . . . . . . 6777 1 358 . 1 1 33 33 ILE HG23 H 1 0.315 0.01 . 1 . . . . . . . . 6777 1 359 . 1 1 33 33 ILE CD1 C 13 13.480 0.07 . 1 . . . . . . . . 6777 1 360 . 1 1 34 34 HIS N N 15 125.620 0.12 . 1 . . . . . . . . 6777 1 361 . 1 1 34 34 HIS H H 1 8.027 0.02 . 1 . . . . . . . . 6777 1 362 . 1 1 34 34 HIS CA C 13 55.450 0.04 . 1 . . . . . . . . 6777 1 363 . 1 1 34 34 HIS HA H 1 4.776 0.01 . 1 . . . . . . . . 6777 1 364 . 1 1 34 34 HIS CB C 13 29.220 0.11 . 1 . . . . . . . . 6777 1 365 . 1 1 34 34 HIS HB2 H 1 3.031 0.01 . 1 . . . . . . . . 6777 1 366 . 1 1 34 34 HIS HB3 H 1 3.089 0.01 . 1 . . . . . . . . 6777 1 367 . 1 1 34 34 HIS CD2 C 13 119.640 0.08 . 1 . . . . . . . . 6777 1 368 . 1 1 34 34 HIS HD2 H 1 7.063 0.05 . 1 . . . . . . . . 6777 1 369 . 1 1 34 34 HIS CE1 C 13 136.810 0.14 . 1 . . . . . . . . 6777 1 370 . 1 1 34 34 HIS HE1 H 1 8.158 0.05 . 1 . . . . . . . . 6777 1 371 . 1 1 35 35 VAL N N 15 126.740 0.04 . 1 . . . . . . . . 6777 1 372 . 1 1 35 35 VAL H H 1 8.673 0.02 . 1 . . . . . . . . 6777 1 373 . 1 1 35 35 VAL CA C 13 64.790 0.09 . 1 . . . . . . . . 6777 1 374 . 1 1 35 35 VAL HA H 1 4.118 0.01 . 1 . . . . . . . . 6777 1 375 . 1 1 35 35 VAL CB C 13 32.040 0.10 . 1 . . . . . . . . 6777 1 376 . 1 1 35 35 VAL HB H 1 1.998 0.01 . 1 . . . . . . . . 6777 1 377 . 1 1 35 35 VAL CG1 C 13 21.890 0.07 . 1 . . . . . . . . 6777 1 378 . 1 1 35 35 VAL HG11 H 1 0.802 0.01 . 2 . . . . . . . . 6777 1 379 . 1 1 35 35 VAL HG12 H 1 0.802 0.01 . 2 . . . . . . . . 6777 1 380 . 1 1 35 35 VAL HG13 H 1 0.802 0.01 . 2 . . . . . . . . 6777 1 381 . 1 1 35 35 VAL CG2 C 13 24.700 0.06 . 1 . . . . . . . . 6777 1 382 . 1 1 35 35 VAL HG21 H 1 1.138 0.01 . 2 . . . . . . . . 6777 1 383 . 1 1 35 35 VAL HG22 H 1 1.138 0.01 . 2 . . . . . . . . 6777 1 384 . 1 1 35 35 VAL HG23 H 1 1.138 0.01 . 2 . . . . . . . . 6777 1 385 . 1 1 36 36 THR N N 15 121.070 0.05 . 1 . . . . . . . . 6777 1 386 . 1 1 36 36 THR H H 1 9.548 0.02 . 1 . . . . . . . . 6777 1 387 . 1 1 36 36 THR CA C 13 62.300 0.09 . 1 . . . . . . . . 6777 1 388 . 1 1 36 36 THR HA H 1 4.363 0.01 . 1 . . . . . . . . 6777 1 389 . 1 1 36 36 THR CB C 13 68.390 0.14 . 1 . . . . . . . . 6777 1 390 . 1 1 36 36 THR HB H 1 3.991 0.01 . 1 . . . . . . . . 6777 1 391 . 1 1 36 36 THR CG2 C 13 23.430 0.08 . 1 . . . . . . . . 6777 1 392 . 1 1 36 36 THR HG21 H 1 0.989 0.01 . 1 . . . . . . . . 6777 1 393 . 1 1 36 36 THR HG22 H 1 0.989 0.01 . 1 . . . . . . . . 6777 1 394 . 1 1 36 36 THR HG23 H 1 0.989 0.01 . 1 . . . . . . . . 6777 1 395 . 1 1 37 37 ARG N N 15 121.500 0.04 . 1 . . . . . . . . 6777 1 396 . 1 1 37 37 ARG H H 1 7.550 0.02 . 1 . . . . . . . . 6777 1 397 . 1 1 37 37 ARG CA C 13 56.580 0.10 . 1 . . . . . . . . 6777 1 398 . 1 1 37 37 ARG HA H 1 4.374 0.01 . 1 . . . . . . . . 6777 1 399 . 1 1 37 37 ARG CB C 13 33.890 0.10 . 1 . . . . . . . . 6777 1 400 . 1 1 37 37 ARG HB2 H 1 1.416 0.01 . 1 . . . . . . . . 6777 1 401 . 1 1 37 37 ARG HB3 H 1 1.738 0.02 . 1 . . . . . . . . 6777 1 402 . 1 1 37 37 ARG CG C 13 26.550 0.14 . 1 . . . . . . . . 6777 1 403 . 1 1 37 37 ARG HG2 H 1 1.426 0.01 . 1 . . . . . . . . 6777 1 404 . 1 1 37 37 ARG HG3 H 1 1.533 0.01 . 1 . . . . . . . . 6777 1 405 . 1 1 37 37 ARG CD C 13 43.980 0.11 . 1 . . . . . . . . 6777 1 406 . 1 1 37 37 ARG HD2 H 1 2.862 0.02 . 1 . . . . . . . . 6777 1 407 . 1 1 37 37 ARG HD3 H 1 3.117 0.01 . 1 . . . . . . . . 6777 1 408 . 1 1 37 37 ARG NE N 15 84.410 0.01 . 1 . . . . . . . . 6777 1 409 . 1 1 37 37 ARG HE H 1 7.585 0.01 . 1 . . . . . . . . 6777 1 410 . 1 1 38 38 VAL N N 15 125.050 0.06 . 1 . . . . . . . . 6777 1 411 . 1 1 38 38 VAL H H 1 8.131 0.02 . 1 . . . . . . . . 6777 1 412 . 1 1 38 38 VAL CA C 13 61.690 0.09 . 1 . . . . . . . . 6777 1 413 . 1 1 38 38 VAL HA H 1 2.744 0.01 . 1 . . . . . . . . 6777 1 414 . 1 1 38 38 VAL CB C 13 31.600 0.10 . 1 . . . . . . . . 6777 1 415 . 1 1 38 38 VAL HB H 1 1.380 0.01 . 1 . . . . . . . . 6777 1 416 . 1 1 38 38 VAL CG1 C 13 20.360 0.07 . 1 . . . . . . . . 6777 1 417 . 1 1 38 38 VAL CG2 C 13 19.770 0.10 . 1 . . . . . . . . 6777 1 418 . 1 1 38 38 VAL HG21 H 1 0.180 0.01 . 2 . . . . . . . . 6777 1 419 . 1 1 38 38 VAL HG22 H 1 0.180 0.01 . 2 . . . . . . . . 6777 1 420 . 1 1 38 38 VAL HG23 H 1 0.180 0.01 . 2 . . . . . . . . 6777 1 421 . 1 1 39 39 GLU N N 15 124.140 0.02 . 1 . . . . . . . . 6777 1 422 . 1 1 39 39 GLU H H 1 6.735 0.02 . 1 . . . . . . . . 6777 1 423 . 1 1 39 39 GLU CA C 13 53.920 0.13 . 1 . . . . . . . . 6777 1 424 . 1 1 39 39 GLU HA H 1 4.859 0.01 . 1 . . . . . . . . 6777 1 425 . 1 1 39 39 GLU CB C 13 33.900 0.10 . 1 . . . . . . . . 6777 1 426 . 1 1 39 39 GLU HB2 H 1 2.294 0.01 . 1 . . . . . . . . 6777 1 427 . 1 1 39 39 GLU HB3 H 1 2.493 0.01 . 1 . . . . . . . . 6777 1 428 . 1 1 39 39 GLU CG C 13 35.310 0.09 . 1 . . . . . . . . 6777 1 429 . 1 1 39 39 GLU HG2 H 1 2.320 0.01 . 1 . . . . . . . . 6777 1 430 . 1 1 39 39 GLU HG3 H 1 2.558 0.01 . 1 . . . . . . . . 6777 1 431 . 1 1 40 40 GLU N N 15 120.990 0.06 . 1 . . . . . . . . 6777 1 432 . 1 1 40 40 GLU H H 1 9.077 0.02 . 1 . . . . . . . . 6777 1 433 . 1 1 40 40 GLU CA C 13 56.540 0.09 . 1 . . . . . . . . 6777 1 434 . 1 1 40 40 GLU HA H 1 4.469 0.01 . 1 . . . . . . . . 6777 1 435 . 1 1 40 40 GLU CB C 13 30.240 0.10 . 1 . . . . . . . . 6777 1 436 . 1 1 40 40 GLU HB2 H 1 1.990 0.02 . 1 . . . . . . . . 6777 1 437 . 1 1 40 40 GLU HB3 H 1 2.157 0.01 . 1 . . . . . . . . 6777 1 438 . 1 1 40 40 GLU CG C 13 36.170 0.11 . 1 . . . . . . . . 6777 1 439 . 1 1 40 40 GLU HG2 H 1 2.344 0.00 . 1 . . . . . . . . 6777 1 440 . 1 1 40 40 GLU HG3 H 1 2.388 0.01 . 1 . . . . . . . . 6777 1 441 . 1 1 41 41 GLY N N 15 110.12 0.07 . 1 . . . . . . . . 6777 1 442 . 1 1 41 41 GLY H H 1 9.081 0.02 . 1 . . . . . . . . 6777 1 443 . 1 1 41 41 GLY CA C 13 45.310 0.14 . 1 . . . . . . . . 6777 1 444 . 1 1 41 41 GLY HA2 H 1 3.805 0.01 . 1 . . . . . . . . 6777 1 445 . 1 1 41 41 GLY HA3 H 1 4.498 0.02 . 1 . . . . . . . . 6777 1 446 . 1 1 42 42 GLY N N 15 106.47 0.02 . 1 . . . . . . . . 6777 1 447 . 1 1 42 42 GLY H H 1 8.631 0.02 . 1 . . . . . . . . 6777 1 448 . 1 1 42 42 GLY CA C 13 45.260 0.09 . 1 . . . . . . . . 6777 1 449 . 1 1 42 42 GLY HA2 H 1 3.415 0.01 . 1 . . . . . . . . 6777 1 450 . 1 1 42 42 GLY HA3 H 1 4.276 0.01 . 1 . . . . . . . . 6777 1 451 . 1 1 43 43 TRP N N 15 121.790 0.10 . 1 . . . . . . . . 6777 1 452 . 1 1 43 43 TRP H H 1 8.479 0.04 . 1 . . . . . . . . 6777 1 453 . 1 1 43 43 TRP CA C 13 56.920 0.15 . 1 . . . . . . . . 6777 1 454 . 1 1 43 43 TRP HA H 1 5.123 0.01 . 1 . . . . . . . . 6777 1 455 . 1 1 43 43 TRP CB C 13 31.060 0.09 . 1 . . . . . . . . 6777 1 456 . 1 1 43 43 TRP HB2 H 1 2.853 0.01 . 1 . . . . . . . . 6777 1 457 . 1 1 43 43 TRP HB3 H 1 3.167 0.01 . 1 . . . . . . . . 6777 1 458 . 1 1 43 43 TRP CD1 C 13 124.940 0.11 . 1 . . . . . . . . 6777 1 459 . 1 1 43 43 TRP HD1 H 1 6.865 0.02 . 1 . . . . . . . . 6777 1 460 . 1 1 43 43 TRP NE1 N 15 130.690 0.02 . 1 . . . . . . . . 6777 1 461 . 1 1 43 43 TRP HE1 H 1 10.102 0.02 . 1 . . . . . . . . 6777 1 462 . 1 1 43 43 TRP CE3 C 13 120.030 0.10 . 1 . . . . . . . . 6777 1 463 . 1 1 43 43 TRP HE3 H 1 7.348 0.01 . 1 . . . . . . . . 6777 1 464 . 1 1 43 43 TRP CZ2 C 13 114.660 0.09 . 1 . . . . . . . . 6777 1 465 . 1 1 43 43 TRP HZ2 H 1 7.343 0.00 . 1 . . . . . . . . 6777 1 466 . 1 1 43 43 TRP CZ3 C 13 120.470 0.06 . 1 . . . . . . . . 6777 1 467 . 1 1 43 43 TRP HZ3 H 1 6.815 0.01 . 1 . . . . . . . . 6777 1 468 . 1 1 43 43 TRP CH2 C 13 124.560 0.07 . 1 . . . . . . . . 6777 1 469 . 1 1 43 43 TRP HH2 H 1 7.230 0.01 . 1 . . . . . . . . 6777 1 470 . 1 1 44 44 TRP N N 15 122.900 0.03 . 1 . . . . . . . . 6777 1 471 . 1 1 44 44 TRP H H 1 8.702 0.02 . 1 . . . . . . . . 6777 1 472 . 1 1 44 44 TRP CA C 13 52.200 0.11 . 1 . . . . . . . . 6777 1 473 . 1 1 44 44 TRP HA H 1 5.277 0.01 . 1 . . . . . . . . 6777 1 474 . 1 1 44 44 TRP CB C 13 34.310 0.09 . 1 . . . . . . . . 6777 1 475 . 1 1 44 44 TRP HB2 H 1 2.097 0.01 . 1 . . . . . . . . 6777 1 476 . 1 1 44 44 TRP HB3 H 1 3.133 0.01 . 1 . . . . . . . . 6777 1 477 . 1 1 44 44 TRP CD1 C 13 121.950 0.05 . 1 . . . . . . . . 6777 1 478 . 1 1 44 44 TRP HD1 H 1 7.764 0.02 . 1 . . . . . . . . 6777 1 479 . 1 1 44 44 TRP NE1 N 15 127.270 0.03 . 1 . . . . . . . . 6777 1 480 . 1 1 44 44 TRP HE1 H 1 9.892 0.02 . 1 . . . . . . . . 6777 1 481 . 1 1 44 44 TRP CE3 C 13 119.490 0.00 . 1 . . . . . . . . 6777 1 482 . 1 1 44 44 TRP HE3 H 1 7.370 0.01 . 1 . . . . . . . . 6777 1 483 . 1 1 44 44 TRP CZ2 C 13 114.920 0.07 . 1 . . . . . . . . 6777 1 484 . 1 1 44 44 TRP HZ2 H 1 7.466 0.01 . 1 . . . . . . . . 6777 1 485 . 1 1 44 44 TRP CZ3 C 13 121.000 0.07 . 1 . . . . . . . . 6777 1 486 . 1 1 44 44 TRP HZ3 H 1 6.866 0.01 . 1 . . . . . . . . 6777 1 487 . 1 1 44 44 TRP CH2 C 13 124.680 0.08 . 1 . . . . . . . . 6777 1 488 . 1 1 44 44 TRP HH2 H 1 7.190 0.01 . 1 . . . . . . . . 6777 1 489 . 1 1 45 45 GLU N N 15 121.190 0.04 . 1 . . . . . . . . 6777 1 490 . 1 1 45 45 GLU H H 1 8.403 0.02 . 1 . . . . . . . . 6777 1 491 . 1 1 45 45 GLU CA C 13 53.220 0.12 . 1 . . . . . . . . 6777 1 492 . 1 1 45 45 GLU HA H 1 4.513 0.01 . 1 . . . . . . . . 6777 1 493 . 1 1 45 45 GLU CB C 13 32.650 0.07 . 1 . . . . . . . . 6777 1 494 . 1 1 45 45 GLU HB3 H 1 1.323 0.02 . 1 . . . . . . . . 6777 1 495 . 1 1 45 45 GLU CG C 13 36.430 0.12 . 1 . . . . . . . . 6777 1 496 . 1 1 45 45 GLU HG2 H 1 0.572 0.01 . 1 . . . . . . . . 6777 1 497 . 1 1 45 45 GLU HG3 H 1 1.535 0.01 . 1 . . . . . . . . 6777 1 498 . 1 1 46 46 GLY N N 15 113.300 0.06 . 1 . . . . . . . . 6777 1 499 . 1 1 46 46 GLY H H 1 9.068 0.01 . 1 . . . . . . . . 6777 1 500 . 1 1 46 46 GLY CA C 13 46.780 0.11 . 1 . . . . . . . . 6777 1 501 . 1 1 46 46 GLY HA2 H 1 3.996 0.01 . 1 . . . . . . . . 6777 1 502 . 1 1 46 46 GLY HA3 H 1 4.967 0.01 . 1 . . . . . . . . 6777 1 503 . 1 1 47 47 THR N N 15 112.790 0.10 . 1 . . . . . . . . 6777 1 504 . 1 1 47 47 THR H H 1 9.153 0.02 . 1 . . . . . . . . 6777 1 505 . 1 1 47 47 THR CA C 13 59.930 0.13 . 1 . . . . . . . . 6777 1 506 . 1 1 47 47 THR HA H 1 5.644 0.01 . 1 . . . . . . . . 6777 1 507 . 1 1 47 47 THR CB C 13 71.290 0.10 . 1 . . . . . . . . 6777 1 508 . 1 1 47 47 THR HB H 1 3.797 0.01 . 1 . . . . . . . . 6777 1 509 . 1 1 47 47 THR CG2 C 13 21.110 0.06 . 1 . . . . . . . . 6777 1 510 . 1 1 47 47 THR HG21 H 1 1.047 0.01 . 1 . . . . . . . . 6777 1 511 . 1 1 47 47 THR HG22 H 1 1.047 0.01 . 1 . . . . . . . . 6777 1 512 . 1 1 47 47 THR HG23 H 1 1.047 0.01 . 1 . . . . . . . . 6777 1 513 . 1 1 48 48 LEU N N 15 126.960 0.05 . 1 . . . . . . . . 6777 1 514 . 1 1 48 48 LEU H H 1 8.883 0.02 . 1 . . . . . . . . 6777 1 515 . 1 1 48 48 LEU CA C 13 54.740 0.01 . 1 . . . . . . . . 6777 1 516 . 1 1 48 48 LEU HA H 1 4.618 0.01 . 1 . . . . . . . . 6777 1 517 . 1 1 48 48 LEU CB C 13 46.080 0.12 . 1 . . . . . . . . 6777 1 518 . 1 1 48 48 LEU HB2 H 1 1.450 0.01 . 1 . . . . . . . . 6777 1 519 . 1 1 48 48 LEU HB3 H 1 1.803 0.01 . 1 . . . . . . . . 6777 1 520 . 1 1 48 48 LEU CG C 13 27.520 0.11 . 1 . . . . . . . . 6777 1 521 . 1 1 48 48 LEU HG H 1 1.466 0.01 . 1 . . . . . . . . 6777 1 522 . 1 1 48 48 LEU CD1 C 13 23.110 0.05 . 1 . . . . . . . . 6777 1 523 . 1 1 48 48 LEU HD11 H 1 0.941 0.00 . 2 . . . . . . . . 6777 1 524 . 1 1 48 48 LEU HD12 H 1 0.941 0.00 . 2 . . . . . . . . 6777 1 525 . 1 1 48 48 LEU HD13 H 1 0.941 0.00 . 2 . . . . . . . . 6777 1 526 . 1 1 48 48 LEU CD2 C 13 27.210 0.04 . 1 . . . . . . . . 6777 1 527 . 1 1 48 48 LEU HD21 H 1 1.028 0.01 . 2 . . . . . . . . 6777 1 528 . 1 1 48 48 LEU HD22 H 1 1.028 0.01 . 2 . . . . . . . . 6777 1 529 . 1 1 48 48 LEU HD23 H 1 1.028 0.01 . 2 . . . . . . . . 6777 1 530 . 1 1 49 49 ASN N N 15 127.220 0.07 . 1 . . . . . . . . 6777 1 531 . 1 1 49 49 ASN H H 1 9.760 0.02 . 1 . . . . . . . . 6777 1 532 . 1 1 49 49 ASN CA C 13 54.090 0.10 . 1 . . . . . . . . 6777 1 533 . 1 1 49 49 ASN HA H 1 4.394 0.01 . 1 . . . . . . . . 6777 1 534 . 1 1 49 49 ASN CB C 13 37.210 0.08 . 1 . . . . . . . . 6777 1 535 . 1 1 49 49 ASN HB2 H 1 2.774 0.01 . 1 . . . . . . . . 6777 1 536 . 1 1 49 49 ASN HB3 H 1 3.058 0.01 . 1 . . . . . . . . 6777 1 537 . 1 1 49 49 ASN ND2 N 15 113.230 0.04 . 1 . . . . . . . . 6777 1 538 . 1 1 49 49 ASN HD21 H 1 7.096 0.01 . 1 . . . . . . . . 6777 1 539 . 1 1 49 49 ASN HD22 H 1 7.686 0.01 . 1 . . . . . . . . 6777 1 540 . 1 1 50 50 GLY N N 15 121.210 0.02 . 1 . . . . . . . . 6777 1 541 . 1 1 50 50 GLY H H 1 8.663 0.02 . 1 . . . . . . . . 6777 1 542 . 1 1 50 50 GLY CA C 13 45.310 0.08 . 1 . . . . . . . . 6777 1 543 . 1 1 50 50 GLY HA2 H 1 3.546 0.01 . 1 . . . . . . . . 6777 1 544 . 1 1 50 50 GLY HA3 H 1 4.121 0.01 . 1 . . . . . . . . 6777 1 545 . 1 1 51 51 ARG N N 15 121.520 0.04 . 1 . . . . . . . . 6777 1 546 . 1 1 51 51 ARG H H 1 7.833 0.01 . 1 . . . . . . . . 6777 1 547 . 1 1 51 51 ARG CA C 13 54.890 0.02 . 1 . . . . . . . . 6777 1 548 . 1 1 51 51 ARG HA H 1 4.680 0.01 . 1 . . . . . . . . 6777 1 549 . 1 1 51 51 ARG CB C 13 32.500 0.10 . 1 . . . . . . . . 6777 1 550 . 1 1 51 51 ARG HB2 H 1 1.798 0.01 . 1 . . . . . . . . 6777 1 551 . 1 1 51 51 ARG HB3 H 1 1.839 0.01 . 1 . . . . . . . . 6777 1 552 . 1 1 51 51 ARG CG C 13 27.790 0.11 . 1 . . . . . . . . 6777 1 553 . 1 1 51 51 ARG HG2 H 1 1.526 0.01 . 1 . . . . . . . . 6777 1 554 . 1 1 51 51 ARG HG3 H 1 1.702 0.01 . 1 . . . . . . . . 6777 1 555 . 1 1 51 51 ARG CD C 13 43.310 0.09 . 1 . . . . . . . . 6777 1 556 . 1 1 51 51 ARG HD2 H 1 3.263 0.01 . 1 . . . . . . . . 6777 1 557 . 1 1 51 51 ARG HD3 H 1 3.338 0.01 . 1 . . . . . . . . 6777 1 558 . 1 1 51 51 ARG HE H 1 7.298 0.00 . 1 . . . . . . . . 6777 1 559 . 1 1 52 52 THR N N 15 120.190 0.09 . 1 . . . . . . . . 6777 1 560 . 1 1 52 52 THR H H 1 8.541 0.02 . 1 . . . . . . . . 6777 1 561 . 1 1 52 52 THR CA C 13 60.770 0.11 . 1 . . . . . . . . 6777 1 562 . 1 1 52 52 THR HA H 1 5.404 0.01 . 1 . . . . . . . . 6777 1 563 . 1 1 52 52 THR CB C 13 70.540 0.13 . 1 . . . . . . . . 6777 1 564 . 1 1 52 52 THR HB H 1 3.752 0.01 . 1 . . . . . . . . 6777 1 565 . 1 1 52 52 THR CG2 C 13 20.820 0.11 . 1 . . . . . . . . 6777 1 566 . 1 1 52 52 THR HG21 H 1 0.896 0.01 . 1 . . . . . . . . 6777 1 567 . 1 1 52 52 THR HG22 H 1 0.896 0.01 . 1 . . . . . . . . 6777 1 568 . 1 1 52 52 THR HG23 H 1 0.896 0.01 . 1 . . . . . . . . 6777 1 569 . 1 1 53 53 GLY N N 15 112.810 0.05 . 1 . . . . . . . . 6777 1 570 . 1 1 53 53 GLY H H 1 9.193 0.02 . 1 . . . . . . . . 6777 1 571 . 1 1 53 53 GLY CA C 13 45.460 0.11 . 1 . . . . . . . . 6777 1 572 . 1 1 53 53 GLY HA2 H 1 3.772 0.01 . 1 . . . . . . . . 6777 1 573 . 1 1 53 53 GLY HA3 H 1 4.420 0.01 . 1 . . . . . . . . 6777 1 574 . 1 1 54 54 TRP N N 15 120.970 0.05 . 1 . . . . . . . . 6777 1 575 . 1 1 54 54 TRP H H 1 9.265 0.02 . 1 . . . . . . . . 6777 1 576 . 1 1 54 54 TRP CA C 13 57.320 0.11 . 1 . . . . . . . . 6777 1 577 . 1 1 54 54 TRP HA H 1 5.597 0.01 . 1 . . . . . . . . 6777 1 578 . 1 1 54 54 TRP CB C 13 31.050 0.07 . 1 . . . . . . . . 6777 1 579 . 1 1 54 54 TRP HB2 H 1 2.939 0.01 . 1 . . . . . . . . 6777 1 580 . 1 1 54 54 TRP HB3 H 1 3.482 0.01 . 1 . . . . . . . . 6777 1 581 . 1 1 54 54 TRP CD1 C 13 128.050 0.04 . 1 . . . . . . . . 6777 1 582 . 1 1 54 54 TRP HD1 H 1 7.416 0.00 . 1 . . . . . . . . 6777 1 583 . 1 1 54 54 TRP NE1 N 15 129.650 0.01 . 1 . . . . . . . . 6777 1 584 . 1 1 54 54 TRP HE1 H 1 9.655 0.03 . 1 . . . . . . . . 6777 1 585 . 1 1 54 54 TRP CZ2 C 13 114.580 0.11 . 1 . . . . . . . . 6777 1 586 . 1 1 54 54 TRP HZ2 H 1 7.287 0.01 . 1 . . . . . . . . 6777 1 587 . 1 1 54 54 TRP CH2 C 13 122.130 0.08 . 1 . . . . . . . . 6777 1 588 . 1 1 54 54 TRP HH2 H 1 6.747 0.01 . 1 . . . . . . . . 6777 1 589 . 1 1 55 55 PHE N N 15 117.930 0.06 . 1 . . . . . . . . 6777 1 590 . 1 1 55 55 PHE H H 1 9.853 0.02 . 1 . . . . . . . . 6777 1 591 . 1 1 55 55 PHE CA C 13 55.360 0.15 . 1 . . . . . . . . 6777 1 592 . 1 1 55 55 PHE HA H 1 5.105 0.01 . 1 . . . . . . . . 6777 1 593 . 1 1 55 55 PHE CB C 13 39.970 0.11 . 1 . . . . . . . . 6777 1 594 . 1 1 55 55 PHE HB2 H 1 2.787 0.01 . 1 . . . . . . . . 6777 1 595 . 1 1 55 55 PHE HB3 H 1 3.174 0.01 . 1 . . . . . . . . 6777 1 596 . 1 1 55 55 PHE CZ C 13 128.230 0.07 . 1 . . . . . . . . 6777 1 597 . 1 1 55 55 PHE HZ H 1 7.143 0.01 . 1 . . . . . . . . 6777 1 598 . 1 1 55 55 PHE CD1 C 13 133.710 0.06 . 3 . . . . . . . . 6777 1 599 . 1 1 55 55 PHE HD1 H 1 6.987 0.01 . 3 . . . . . . . . 6777 1 600 . 1 1 55 55 PHE CE1 C 13 129.390 0.07 . 3 . . . . . . . . 6777 1 601 . 1 1 55 55 PHE HE1 H 1 6.799 0.01 . 3 . . . . . . . . 6777 1 602 . 1 1 56 56 PRO CA C 13 60.370 0.13 . 1 . . . . . . . . 6777 1 603 . 1 1 56 56 PRO HA H 1 3.711 0.01 . 1 . . . . . . . . 6777 1 604 . 1 1 56 56 PRO CB C 13 30.590 0.08 . 1 . . . . . . . . 6777 1 605 . 1 1 56 56 PRO HB2 H 1 0.961 0.01 . 1 . . . . . . . . 6777 1 606 . 1 1 56 56 PRO HB3 H 1 1.300 0.01 . 1 . . . . . . . . 6777 1 607 . 1 1 56 56 PRO CG C 13 27.310 0.10 . 1 . . . . . . . . 6777 1 608 . 1 1 56 56 PRO HG3 H 1 0.362 0.01 . 1 . . . . . . . . 6777 1 609 . 1 1 56 56 PRO CD C 13 49.070 0.11 . 1 . . . . . . . . 6777 1 610 . 1 1 56 56 PRO HD2 H 1 1.909 0.01 . 1 . . . . . . . . 6777 1 611 . 1 1 56 56 PRO HD3 H 1 2.086 0.01 . 1 . . . . . . . . 6777 1 612 . 1 1 57 57 SER N N 15 122.030 0.06 . 1 . . . . . . . . 6777 1 613 . 1 1 57 57 SER H H 1 8.326 0.02 . 1 . . . . . . . . 6777 1 614 . 1 1 57 57 SER CA C 13 59.770 0.10 . 1 . . . . . . . . 6777 1 615 . 1 1 57 57 SER HA H 1 3.015 0.01 . 1 . . . . . . . . 6777 1 616 . 1 1 57 57 SER CB C 13 60.270 0.12 . 1 . . . . . . . . 6777 1 617 . 1 1 57 57 SER HB2 H 1 1.838 0.01 . 1 . . . . . . . . 6777 1 618 . 1 1 57 57 SER HB3 H 1 2.017 0.01 . 1 . . . . . . . . 6777 1 619 . 1 1 58 58 ASN N N 15 114.780 0.07 . 1 . . . . . . . . 6777 1 620 . 1 1 58 58 ASN H H 1 8.413 0.02 . 1 . . . . . . . . 6777 1 621 . 1 1 58 58 ASN CA C 13 52.800 0.06 . 1 . . . . . . . . 6777 1 622 . 1 1 58 58 ASN HA H 1 4.684 0.01 . 1 . . . . . . . . 6777 1 623 . 1 1 58 58 ASN CB C 13 35.190 0.06 . 1 . . . . . . . . 6777 1 624 . 1 1 58 58 ASN HB2 H 1 2.743 0.01 . 1 . . . . . . . . 6777 1 625 . 1 1 58 58 ASN HB3 H 1 3.042 0.02 . 1 . . . . . . . . 6777 1 626 . 1 1 58 58 ASN ND2 N 15 111.780 0.03 . 1 . . . . . . . . 6777 1 627 . 1 1 58 58 ASN HD21 H 1 6.966 0.02 . 1 . . . . . . . . 6777 1 628 . 1 1 58 58 ASN HD22 H 1 7.658 0.02 . 1 . . . . . . . . 6777 1 629 . 1 1 59 59 TYR N N 15 119.930 0.08 . 1 . . . . . . . . 6777 1 630 . 1 1 59 59 TYR H H 1 7.785 0.01 . 1 . . . . . . . . 6777 1 631 . 1 1 59 59 TYR CA C 13 58.520 0.02 . 1 . . . . . . . . 6777 1 632 . 1 1 59 59 TYR HA H 1 4.712 0.01 . 1 . . . . . . . . 6777 1 633 . 1 1 59 59 TYR CB C 13 38.110 0.10 . 1 . . . . . . . . 6777 1 634 . 1 1 59 59 TYR HB2 H 1 3.512 0.01 . 2 . . . . . . . . 6777 1 635 . 1 1 59 59 TYR CD1 C 13 131.070 0.05 . 3 . . . . . . . . 6777 1 636 . 1 1 59 59 TYR HD1 H 1 6.949 0.01 . 3 . . . . . . . . 6777 1 637 . 1 1 59 59 TYR CE1 C 13 118.380 0.05 . 3 . . . . . . . . 6777 1 638 . 1 1 59 59 TYR HE1 H 1 6.742 0.01 . 3 . . . . . . . . 6777 1 639 . 1 1 60 60 VAL N N 15 126.280 0.04 . 1 . . . . . . . . 6777 1 640 . 1 1 60 60 VAL H H 1 7.015 0.02 . 1 . . . . . . . . 6777 1 641 . 1 1 60 60 VAL CA C 13 58.340 0.10 . 1 . . . . . . . . 6777 1 642 . 1 1 60 60 VAL HA H 1 5.105 0.01 . 1 . . . . . . . . 6777 1 643 . 1 1 60 60 VAL CB C 13 35.600 0.09 . 1 . . . . . . . . 6777 1 644 . 1 1 60 60 VAL HB H 1 1.647 0.01 . 1 . . . . . . . . 6777 1 645 . 1 1 60 60 VAL CG1 C 13 20.580 0.05 . 1 . . . . . . . . 6777 1 646 . 1 1 60 60 VAL HG11 H 1 0.329 0.01 . 2 . . . . . . . . 6777 1 647 . 1 1 60 60 VAL HG12 H 1 0.329 0.01 . 2 . . . . . . . . 6777 1 648 . 1 1 60 60 VAL HG13 H 1 0.329 0.01 . 2 . . . . . . . . 6777 1 649 . 1 1 60 60 VAL CG2 C 13 17.530 0.09 . 1 . . . . . . . . 6777 1 650 . 1 1 60 60 VAL HG21 H 1 0.725 0.01 . 2 . . . . . . . . 6777 1 651 . 1 1 60 60 VAL HG22 H 1 0.725 0.01 . 2 . . . . . . . . 6777 1 652 . 1 1 60 60 VAL HG23 H 1 0.725 0.01 . 2 . . . . . . . . 6777 1 653 . 1 1 61 61 ARG N N 15 117.330 0.03 . 1 . . . . . . . . 6777 1 654 . 1 1 61 61 ARG H H 1 8.430 0.01 . 1 . . . . . . . . 6777 1 655 . 1 1 61 61 ARG CA C 13 53.810 0.04 . 1 . . . . . . . . 6777 1 656 . 1 1 61 61 ARG HA H 1 4.734 0.01 . 1 . . . . . . . . 6777 1 657 . 1 1 61 61 ARG CB C 13 33.690 0.09 . 1 . . . . . . . . 6777 1 658 . 1 1 61 61 ARG CG C 13 26.260 0.11 . 1 . . . . . . . . 6777 1 659 . 1 1 61 61 ARG HG2 H 1 1.493 0.01 . 1 . . . . . . . . 6777 1 660 . 1 1 61 61 ARG HG3 H 1 1.545 0.01 . 1 . . . . . . . . 6777 1 661 . 1 1 61 61 ARG CD C 13 43.180 0.10 . 1 . . . . . . . . 6777 1 662 . 1 1 61 61 ARG HD2 H 1 3.111 0.01 . 1 . . . . . . . . 6777 1 663 . 1 1 61 61 ARG HD3 H 1 3.171 0.01 . 1 . . . . . . . . 6777 1 664 . 1 1 61 61 ARG HB2 H 1 1.685 0.01 . 2 . . . . . . . . 6777 1 665 . 1 1 62 62 GLU N N 15 124.490 0.04 . 1 . . . . . . . . 6777 1 666 . 1 1 62 62 GLU H H 1 9.046 0.01 . 1 . . . . . . . . 6777 1 667 . 1 1 62 62 GLU CA C 13 57.760 0.11 . 1 . . . . . . . . 6777 1 668 . 1 1 62 62 GLU HA H 1 4.333 0.01 . 1 . . . . . . . . 6777 1 669 . 1 1 62 62 GLU CB C 13 30.050 0.09 . 1 . . . . . . . . 6777 1 670 . 1 1 62 62 GLU CG C 13 36.210 0.05 . 1 . . . . . . . . 6777 1 671 . 1 1 62 62 GLU HG2 H 1 2.196 0.01 . 1 . . . . . . . . 6777 1 672 . 1 1 62 62 GLU HG3 H 1 2.372 0.02 . 1 . . . . . . . . 6777 1 673 . 1 1 62 62 GLU HB2 H 1 1.980 0.01 . 2 . . . . . . . . 6777 1 674 . 1 1 63 63 VAL N N 15 123.770 0.04 . 1 . . . . . . . . 6777 1 675 . 1 1 63 63 VAL H H 1 8.389 0.02 . 1 . . . . . . . . 6777 1 676 . 1 1 63 63 VAL CA C 13 61.800 0.11 . 1 . . . . . . . . 6777 1 677 . 1 1 63 63 VAL HA H 1 4.074 0.01 . 1 . . . . . . . . 6777 1 678 . 1 1 63 63 VAL CB C 13 32.660 0.06 . 1 . . . . . . . . 6777 1 679 . 1 1 63 63 VAL HB H 1 1.885 0.01 . 1 . . . . . . . . 6777 1 680 . 1 1 63 63 VAL CG1 C 13 20.660 0.05 . 1 . . . . . . . . 6777 1 681 . 1 1 63 63 VAL HG11 H 1 0.719 0.01 . 2 . . . . . . . . 6777 1 682 . 1 1 63 63 VAL HG12 H 1 0.719 0.01 . 2 . . . . . . . . 6777 1 683 . 1 1 63 63 VAL HG13 H 1 0.719 0.01 . 2 . . . . . . . . 6777 1 684 . 1 1 63 63 VAL CG2 C 13 21.110 0.06 . 1 . . . . . . . . 6777 1 685 . 1 1 63 63 VAL HG21 H 1 0.785 0.01 . 2 . . . . . . . . 6777 1 686 . 1 1 63 63 VAL HG22 H 1 0.785 0.01 . 2 . . . . . . . . 6777 1 687 . 1 1 63 63 VAL HG23 H 1 0.785 0.01 . 2 . . . . . . . . 6777 1 688 . 1 1 64 64 LYS N N 15 125.730 0.03 . 1 . . . . . . . . 6777 1 689 . 1 1 64 64 LYS H H 1 8.330 0.02 . 1 . . . . . . . . 6777 1 690 . 1 1 64 64 LYS CA C 13 55.770 0.10 . 1 . . . . . . . . 6777 1 691 . 1 1 64 64 LYS HA H 1 4.335 0.01 . 1 . . . . . . . . 6777 1 692 . 1 1 64 64 LYS CB C 13 32.950 0.10 . 1 . . . . . . . . 6777 1 693 . 1 1 64 64 LYS HB2 H 1 1.679 0.01 . 1 . . . . . . . . 6777 1 694 . 1 1 64 64 LYS HB3 H 1 1.785 0.01 . 1 . . . . . . . . 6777 1 695 . 1 1 64 64 LYS CG C 13 24.420 0.08 . 1 . . . . . . . . 6777 1 696 . 1 1 64 64 LYS CD C 13 28.820 0.09 . 1 . . . . . . . . 6777 1 697 . 1 1 64 64 LYS CE C 13 41.960 0.09 . 1 . . . . . . . . 6777 1 698 . 1 1 64 64 LYS HG2 H 1 1.362 0.02 . 2 . . . . . . . . 6777 1 699 . 1 1 64 64 LYS HD2 H 1 1.620 0.01 . 2 . . . . . . . . 6777 1 700 . 1 1 64 64 LYS HE3 H 1 2.928 0.01 . 2 . . . . . . . . 6777 1 701 . 1 1 65 65 ALA N N 15 128.770 8.26 . 1 . . . . . . . . 6777 1 702 . 1 1 65 65 ALA H H 1 7.969 0.01 . 1 . . . . . . . . 6777 1 703 . 1 1 65 65 ALA CA C 13 53.660 0.08 . 1 . . . . . . . . 6777 1 704 . 1 1 65 65 ALA HA H 1 4.040 0.01 . 1 . . . . . . . . 6777 1 705 . 1 1 65 65 ALA CB C 13 20.040 0.04 . 1 . . . . . . . . 6777 1 706 . 1 1 65 65 ALA HB1 H 1 1.260 0.01 . 1 . . . . . . . . 6777 1 707 . 1 1 65 65 ALA HB2 H 1 1.260 0.01 . 1 . . . . . . . . 6777 1 708 . 1 1 65 65 ALA HB3 H 1 1.260 0.01 . 1 . . . . . . . . 6777 1 stop_ save_ save_chemical_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2 _Assigned_chem_shift_list.Entry_ID 6777 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6777 2 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 . 2 2 1 1 ASP HB2 H 1 2.631 0.01 . 1 . . . . 183 . . . 6777 2 2 . 2 2 1 1 ASP HB3 H 1 2.762 0.01 . 1 . . . . 183 . . . 6777 2 3 . 2 2 2 2 ALA H H 1 8.651 0.00 . 1 . . . . 184 . . . 6777 2 4 . 2 2 2 2 ALA HA H 1 4.387 0.01 . 1 . . . . 184 . . . 6777 2 5 . 2 2 2 2 ALA HB1 H 1 1.355 0.01 . 1 . . . . 184 . . . 6777 2 6 . 2 2 2 2 ALA HB2 H 1 1.355 0.01 . 1 . . . . 184 . . . 6777 2 7 . 2 2 2 2 ALA HB3 H 1 1.355 0.01 . 1 . . . . 184 . . . 6777 2 8 . 2 2 3 3 THR H H 1 8.246 0.03 . 1 . . . . 185 . . . 6777 2 9 . 2 2 3 3 THR HA H 1 4.470 0.01 . 1 . . . . 185 . . . 6777 2 10 . 2 2 3 3 THR HB H 1 4.095 0.01 . 1 . . . . 185 . . . 6777 2 11 . 2 2 3 3 THR HG21 H 1 1.246 0.01 . 1 . . . . 185 . . . 6777 2 12 . 2 2 3 3 THR HG22 H 1 1.246 0.01 . 1 . . . . 185 . . . 6777 2 13 . 2 2 3 3 THR HG23 H 1 1.246 0.01 . 1 . . . . 185 . . . 6777 2 14 . 2 2 4 4 PRO HA H 1 4.611 0.01 . 1 . . . . 186 . . . 6777 2 15 . 2 2 4 4 PRO HB2 H 1 1.789 0.01 . 1 . . . . 186 . . . 6777 2 16 . 2 2 4 4 PRO HB3 H 1 2.234 0.01 . 1 . . . . 186 . . . 6777 2 17 . 2 2 4 4 PRO HD2 H 1 3.629 0.01 . 1 . . . . 186 . . . 6777 2 18 . 2 2 4 4 PRO HD3 H 1 3.824 0.01 . 1 . . . . 186 . . . 6777 2 19 . 2 2 4 4 PRO HG2 H 1 1.948 0.01 . 2 . . . . 186 . . . 6777 2 20 . 2 2 5 5 PRO HA H 1 4.614 0.00 . 1 . . . . 187 . . . 6777 2 21 . 2 2 5 5 PRO HB2 H 1 1.698 0.02 . 1 . . . . 187 . . . 6777 2 22 . 2 2 5 5 PRO HB3 H 1 1.791 0.00 . 1 . . . . 187 . . . 6777 2 23 . 2 2 5 5 PRO HD2 H 1 3.478 0.01 . 1 . . . . 187 . . . 6777 2 24 . 2 2 5 5 PRO HD3 H 1 3.714 0.01 . 1 . . . . 187 . . . 6777 2 25 . 2 2 5 5 PRO HG2 H 1 1.947 0.01 . 2 . . . . 187 . . . 6777 2 26 . 2 2 6 6 PRO HA H 1 4.277 0.01 . 1 . . . . 188 . . . 6777 2 27 . 2 2 6 6 PRO HB2 H 1 1.693 0.01 . 1 . . . . 188 . . . 6777 2 28 . 2 2 6 6 PRO HB3 H 1 2.100 0.01 . 1 . . . . 188 . . . 6777 2 29 . 2 2 6 6 PRO HD2 H 1 3.585 0.01 . 1 . . . . 188 . . . 6777 2 30 . 2 2 6 6 PRO HD3 H 1 3.740 0.05 . 1 . . . . 188 . . . 6777 2 31 . 2 2 6 6 PRO HG2 H 1 1.886 0.00 . 2 . . . . 188 . . . 6777 2 32 . 2 2 7 7 VAL H H 1 8.168 0.02 . 1 . . . . 189 . . . 6777 2 33 . 2 2 7 7 VAL HA H 1 3.801 0.03 . 1 . . . . 189 . . . 6777 2 34 . 2 2 7 7 VAL HB H 1 1.875 0.02 . 1 . . . . 189 . . . 6777 2 35 . 2 2 7 7 VAL HG11 H 1 0.826 0.01 . 2 . . . . 189 . . . 6777 2 36 . 2 2 7 7 VAL HG12 H 1 0.826 0.01 . 2 . . . . 189 . . . 6777 2 37 . 2 2 7 7 VAL HG13 H 1 0.826 0.01 . 2 . . . . 189 . . . 6777 2 38 . 2 2 7 7 VAL HG21 H 1 0.933 0.01 . 2 . . . . 189 . . . 6777 2 39 . 2 2 7 7 VAL HG22 H 1 0.933 0.01 . 2 . . . . 189 . . . 6777 2 40 . 2 2 7 7 VAL HG23 H 1 0.933 0.01 . 2 . . . . 189 . . . 6777 2 41 . 2 2 8 8 ILE H H 1 8.387 0.02 . 1 . . . . 190 . . . 6777 2 42 . 2 2 8 8 ILE HA H 1 3.955 0.02 . 1 . . . . 190 . . . 6777 2 43 . 2 2 8 8 ILE HB H 1 1.677 0.01 . 1 . . . . 190 . . . 6777 2 44 . 2 2 8 8 ILE HG12 H 1 1.461 0.01 . 1 . . . . 190 . . . 6777 2 45 . 2 2 8 8 ILE HG13 H 1 1.601 0.01 . 1 . . . . 190 . . . 6777 2 46 . 2 2 8 8 ILE HG21 H 1 0.872 0.01 . 1 . . . . 190 . . . 6777 2 47 . 2 2 8 8 ILE HG22 H 1 0.872 0.01 . 1 . . . . 190 . . . 6777 2 48 . 2 2 8 8 ILE HG23 H 1 0.872 0.01 . 1 . . . . 190 . . . 6777 2 49 . 2 2 8 8 ILE HD11 H 1 0.817 0.01 . 1 . . . . 190 . . . 6777 2 50 . 2 2 8 8 ILE HD12 H 1 0.817 0.01 . 1 . . . . 190 . . . 6777 2 51 . 2 2 8 8 ILE HD13 H 1 0.817 0.01 . 1 . . . . 190 . . . 6777 2 52 . 2 2 9 9 ALA H H 1 8.218 0.01 . 1 . . . . 191 . . . 6777 2 53 . 2 2 9 9 ALA HA H 1 4.521 0.01 . 1 . . . . 191 . . . 6777 2 54 . 2 2 9 9 ALA HB1 H 1 1.446 0.03 . 1 . . . . 191 . . . 6777 2 55 . 2 2 9 9 ALA HB2 H 1 1.446 0.03 . 1 . . . . 191 . . . 6777 2 56 . 2 2 9 9 ALA HB3 H 1 1.446 0.03 . 1 . . . . 191 . . . 6777 2 57 . 2 2 10 10 PRO HA H 1 4.397 0.01 . 1 . . . . 192 . . . 6777 2 58 . 2 2 10 10 PRO HB2 H 1 1.704 0.02 . 1 . . . . 192 . . . 6777 2 59 . 2 2 10 10 PRO HB3 H 1 2.201 0.01 . 1 . . . . 192 . . . 6777 2 60 . 2 2 10 10 PRO HD2 H 1 3.587 0.01 . 1 . . . . 192 . . . 6777 2 61 . 2 2 10 10 PRO HD3 H 1 3.799 0.01 . 1 . . . . 192 . . . 6777 2 62 . 2 2 10 10 PRO HG2 H 1 1.991 0.01 . 2 . . . . 192 . . . 6777 2 63 . 2 2 11 11 ARG H H 1 8.390 0.02 . 1 . . . . 193 . . . 6777 2 64 . 2 2 11 11 ARG HA H 1 4.054 0.00 . 1 . . . . 193 . . . 6777 2 65 . 2 2 11 11 ARG HB2 H 1 1.635 0.00 . 1 . . . . 193 . . . 6777 2 66 . 2 2 11 11 ARG HB3 H 1 1.690 0.00 . 1 . . . . 193 . . . 6777 2 67 . 2 2 11 11 ARG HE H 1 7.229 0.00 . 1 . . . . 193 . . . 6777 2 68 . 2 2 11 11 ARG HG2 H 1 1.889 0.12 . 2 . . . . 193 . . . 6777 2 69 . 2 2 11 11 ARG HD3 H 1 3.147 0.12 . 2 . . . . 193 . . . 6777 2 70 . 2 2 12 12 PRO HA H 1 4.378 0.00 . 1 . . . . 194 . . . 6777 2 71 . 2 2 12 12 PRO HB2 H 1 1.794 0.01 . 1 . . . . 194 . . . 6777 2 72 . 2 2 12 12 PRO HB3 H 1 2.227 0.01 . 1 . . . . 194 . . . 6777 2 73 . 2 2 12 12 PRO HD2 H 1 3.595 0.02 . 1 . . . . 194 . . . 6777 2 74 . 2 2 12 12 PRO HD3 H 1 3.801 0.05 . 1 . . . . 194 . . . 6777 2 75 . 2 2 12 12 PRO HG2 H 1 1.957 0.00 . 2 . . . . 194 . . . 6777 2 76 . 2 2 13 13 GLU HA H 1 4.334 0.01 . 1 . . . . 195 . . . 6777 2 77 . 2 2 13 13 GLU HB2 H 1 1.839 0.02 . 1 . . . . 195 . . . 6777 2 78 . 2 2 13 13 GLU HB3 H 1 1.978 0.02 . 1 . . . . 195 . . . 6777 2 79 . 2 2 13 13 GLU HG2 H 1 2.335 0.01 . 2 . . . . 195 . . . 6777 2 80 . 2 2 15 15 THR H H 1 8.272 0.00 . 1 . . . . 197 . . . 6777 2 81 . 2 2 15 15 THR HA H 1 4.030 0.00 . 1 . . . . 197 . . . 6777 2 82 . 2 2 15 15 THR HG21 H 1 0.843 0.00 . 1 . . . . 197 . . . 6777 2 83 . 2 2 15 15 THR HG22 H 1 0.843 0.00 . 1 . . . . 197 . . . 6777 2 84 . 2 2 15 15 THR HG23 H 1 0.843 0.00 . 1 . . . . 197 . . . 6777 2 85 . 2 2 16 16 LYS HA H 1 4.133 0.00 . 1 . . . . 198 . . . 6777 2 86 . 2 2 16 16 LYS HB2 H 1 1.646 0.00 . 1 . . . . 198 . . . 6777 2 87 . 2 2 16 16 LYS HB3 H 1 1.694 0.00 . 1 . . . . 198 . . . 6777 2 88 . 2 2 16 16 LYS HG2 H 1 1.472 0.00 . 2 . . . . 198 . . . 6777 2 89 . 2 2 17 17 SER H H 1 8.329 0.02 . 1 . . . . 199 . . . 6777 2 90 . 2 2 17 17 SER HA H 1 4.429 0.01 . 1 . . . . 199 . . . 6777 2 91 . 2 2 17 17 SER HB2 H 1 3.773 0.01 . 1 . . . . 199 . . . 6777 2 92 . 2 2 17 17 SER HB3 H 1 3.844 0.01 . 1 . . . . 199 . . . 6777 2 93 . 2 2 18 18 VAL H H 1 8.075 0.02 . 1 . . . . 200 . . . 6777 2 94 . 2 2 18 18 VAL HA H 1 3.995 0.01 . 1 . . . . 200 . . . 6777 2 95 . 2 2 18 18 VAL HB H 1 1.948 0.01 . 1 . . . . 200 . . . 6777 2 96 . 2 2 18 18 VAL HG21 H 1 0.734 0.01 . 2 . . . . 200 . . . 6777 2 97 . 2 2 18 18 VAL HG22 H 1 0.734 0.01 . 2 . . . . 200 . . . 6777 2 98 . 2 2 18 18 VAL HG23 H 1 0.734 0.01 . 2 . . . . 200 . . . 6777 2 99 . 2 2 19 19 TYR H H 1 8.131 0.02 . 1 . . . . 201 . . . 6777 2 100 . 2 2 19 19 TYR HA H 1 4.564 0.01 . 1 . . . . 201 . . . 6777 2 101 . 2 2 19 19 TYR HB2 H 1 2.826 0.02 . 1 . . . . 201 . . . 6777 2 102 . 2 2 19 19 TYR HB3 H 1 3.062 0.01 . 1 . . . . 201 . . . 6777 2 103 . 2 2 19 19 TYR HD1 H 1 7.072 0.01 . 3 . . . . 201 . . . 6777 2 104 . 2 2 19 19 TYR HE1 H 1 6.767 0.01 . 3 . . . . 201 . . . 6777 2 105 . 2 2 20 20 THR H H 1 7.955 0.01 . 1 . . . . 202 . . . 6777 2 106 . 2 2 20 20 THR HA H 1 4.202 0.02 . 1 . . . . 202 . . . 6777 2 107 . 2 2 20 20 THR HB H 1 4.076 0.01 . 1 . . . . 202 . . . 6777 2 108 . 2 2 20 20 THR HG21 H 1 1.090 0.01 . 1 . . . . 202 . . . 6777 2 109 . 2 2 20 20 THR HG22 H 1 1.090 0.01 . 1 . . . . 202 . . . 6777 2 110 . 2 2 20 20 THR HG23 H 1 1.090 0.01 . 1 . . . . 202 . . . 6777 2 111 . 2 2 21 21 ARG H H 1 8.168 0.01 . 1 . . . . 203 . . . 6777 2 112 . 2 2 21 21 ARG HA H 1 4.342 0.01 . 1 . . . . 203 . . . 6777 2 113 . 2 2 21 21 ARG HB2 H 1 1.715 0.02 . 1 . . . . 203 . . . 6777 2 114 . 2 2 21 21 ARG HB3 H 1 1.851 0.01 . 1 . . . . 203 . . . 6777 2 115 . 2 2 21 21 ARG HE H 1 7.166 0.00 . 1 . . . . 203 . . . 6777 2 116 . 2 2 21 21 ARG HG2 H 1 1.590 0.01 . 2 . . . . 203 . . . 6777 2 117 . 2 2 21 21 ARG HD3 H 1 3.152 0.01 . 2 . . . . 203 . . . 6777 2 118 . 2 2 22 22 SER H H 1 8.004 0.02 . 1 . . . . 204 . . . 6777 2 119 . 2 2 22 22 SER HA H 1 4.227 0.01 . 1 . . . . 204 . . . 6777 2 120 . 2 2 22 22 SER HB2 H 1 3.790 0.01 . 2 . . . . 204 . . . 6777 2 stop_ save_