data_6895 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6895 _Entry.Title ; NMR Structure of the RNA Binding Domain of Human Fox-1 in Complex with UGCAUGU ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-11-10 _Entry.Accession_date 2005-11-29 _Entry.Last_release_date 2006-02-23 _Entry.Original_release_date 2006-02-23 _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 F. Allain . H.-T. . 6895 2 S. Auweter . D. . 6895 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 6895 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 234 6895 '15N chemical shifts' 84 6895 '1H chemical shifts' 564 6895 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 . . 2006-02-23 2005-11-10 original author . 6895 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6895 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16362037 _Citation.Full_citation . _Citation.Title ; Molecular basis of RNA recognition by the human alternative splicing factor Fox-1. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full . _Citation.Journal_volume 25 _Citation.Journal_issue 1 _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 163 _Citation.Page_last 173 _Citation.Year 2006 _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 S. Auweter . D. . 6895 1 2 R. Fasan . . . 6895 1 3 L. Reymond . . . 6895 1 4 J. Underwood . G. . 6895 1 5 D. Black . L. . 6895 1 6 S. Pitsch . . . 6895 1 7 F. Allain . H.-T. . 6895 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'PROTEIN-RNA COMPLEX' 6895 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system _Assembly.Sf_category assembly _Assembly.Sf_framecode system _Assembly.Entry_ID 6895 _Assembly.ID 1 _Assembly.Name 'PROTEIN/RNA Complex' _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 dimer 6895 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 'Ataxin-2-binding protein 1' 1 $fox-1 . . . native . . 1 . . 6895 1 2 UGCAUGU 2 $d1 . . . native . . 2 . . 6895 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 . PDB 2ERR . . . . . . 6895 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'PROTEIN/RNA Complex' abbreviation 6895 1 'PROTEIN/RNA Complex' system 6895 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_fox-1 _Entity.Sf_category entity _Entity.Sf_framecode fox-1 _Entity.Entry_ID 6895 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Ataxin-2-binding protein 1' _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 ; MGSSHHHHHHSSGLVPRGSH MNTENKSQPKRLHVSNIPFR FRDPDLRQMFGQFGKILDVE IIFNERGSKGFGFVTFENSA DADRAREKLHGTVVEGRKIE VNNATARVM ; _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 109 _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 2CQ3 . "Solution Structure Of Rna Binding Domain In Rna Binding Motif Protein 9" . . . . . 74.31 103 100.00 100.00 1.11e-50 . . . . 6895 1 2 no PDB 2ERR . "Nmr Structure Of The Rna Binding Domain Of Human Fox-1 In Complex With Ugcaugu" . . . . . 100.00 109 100.00 100.00 1.39e-72 . . . . 6895 1 3 no DBJ BAA91472 . "unnamed protein product [Homo sapiens]" . . . . . 80.73 397 100.00 100.00 1.16e-53 . . . . 6895 1 4 no DBJ BAA95079 . "RNA-binding protein [Mus musculus]" . . . . . 80.73 396 98.86 100.00 7.66e-53 . . . . 6895 1 5 no DBJ BAB46877 . "hypothetical protein [Macaca fascicularis]" . . . . . 80.73 376 100.00 100.00 3.73e-54 . . . . 6895 1 6 no DBJ BAD92063 . "ataxin 2-binding protein 1 isoform 4 variant [Homo sapiens]" . . . . . 80.73 303 100.00 100.00 2.66e-56 . . . . 6895 1 7 no DBJ BAE22304 . "unnamed protein product [Mus musculus]" . . . . . 80.73 378 98.86 100.00 1.61e-52 . . . . 6895 1 8 no EMBL CAD28499 . "hypothetical protein [Homo sapiens]" . . . . . 80.73 262 100.00 100.00 6.08e-57 . . . . 6895 1 9 no EMBL CAH89770 . "hypothetical protein [Pongo abelii]" . . . . . 80.73 374 100.00 100.00 2.76e-54 . . . . 6895 1 10 no EMBL CAH91712 . "hypothetical protein [Pongo abelii]" . . . . . 80.73 466 98.86 98.86 4.27e-53 . . . . 6895 1 11 no EMBL CAI29625 . "hypothetical protein [Pongo abelii]" . . . . . 80.73 382 100.00 100.00 2.09e-53 . . . . 6895 1 12 no GB AAF78291 . "ataxin 2-binding protein [Homo sapiens]" . . . . . 80.73 377 100.00 100.00 7.08e-54 . . . . 6895 1 13 no GB AAH59002 . "Ataxin 2 binding protein 1 [Mus musculus]" . . . . . 80.73 396 98.86 100.00 6.89e-53 . . . . 6895 1 14 no GB AAI13692 . "Ataxin 2-binding protein 1 [Homo sapiens]" . . . . . 80.73 395 100.00 100.00 9.17e-55 . . . . 6895 1 15 no GB AAI43817 . "A2BP1 protein [Homo sapiens]" . . . . . 80.73 370 100.00 100.00 6.50e-54 . . . . 6895 1 16 no GB AAL71904 . "hexaribonucleotide binding protein 1 isoform gamma [Homo sapiens]" . . . . . 80.73 418 100.00 100.00 4.66e-54 . . . . 6895 1 17 no REF NP_001100444 . "RNA binding protein fox-1 homolog 1 [Rattus norvegicus]" . . . . . 80.73 416 100.00 100.00 8.26e-54 . . . . 6895 1 18 no REF NP_001125995 . "RNA binding protein fox-1 homolog 1 [Pongo abelii]" . . . . . 80.73 466 98.86 98.86 4.27e-53 . . . . 6895 1 19 no REF NP_001135805 . "RNA binding protein fox-1 homolog 1 isoform 5 [Homo sapiens]" . . . . . 80.73 370 100.00 100.00 1.59e-53 . . . . 6895 1 20 no REF NP_001135806 . "RNA binding protein fox-1 homolog 1 isoform 4 [Homo sapiens]" . . . . . 80.73 397 100.00 100.00 1.16e-53 . . . . 6895 1 21 no REF NP_061193 . "RNA binding protein fox-1 homolog 1 isoform 4 [Homo sapiens]" . . . . . 80.73 397 100.00 100.00 1.16e-53 . . . . 6895 1 22 no SP Q5NVN8 . "RecName: Full=RNA binding protein fox-1 homolog 1; AltName: Full=Ataxin-2-binding protein 1; AltName: Full=Fox-1 homolog A [Pon" . . . . . 80.73 382 100.00 100.00 2.09e-53 . . . . 6895 1 23 no SP Q95KI0 . "RecName: Full=RNA binding protein fox-1 homolog 1; AltName: Full=Ataxin-2-binding protein 1; AltName: Full=Fox-1 homolog A [Mac" . . . . . 80.73 376 100.00 100.00 3.73e-54 . . . . 6895 1 24 no SP Q9JJ43 . "RecName: Full=RNA binding protein fox-1 homolog 1; AltName: Full=Ataxin-2-binding protein 1; AltName: Full=Fox-1 homolog A [Mus" . . . . . 80.73 396 98.86 100.00 6.89e-53 . . . . 6895 1 25 no SP Q9NWB1 . "RecName: Full=RNA binding protein fox-1 homolog 1; AltName: Full=Ataxin-2-binding protein 1; AltName: Full=Fox-1 homolog A; Alt" . . . . . 80.73 397 100.00 100.00 1.16e-53 . . . . 6895 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Ataxin-2-binding protein 1' abbreviation 6895 1 'Ataxin-2-binding protein 1' common 6895 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 -21 MET . 6895 1 2 -20 GLY . 6895 1 3 -19 SER . 6895 1 4 -18 SER . 6895 1 5 -17 HIS . 6895 1 6 -16 HIS . 6895 1 7 -15 HIS . 6895 1 8 -14 HIS . 6895 1 9 -13 HIS . 6895 1 10 -12 HIS . 6895 1 11 -11 SER . 6895 1 12 -10 SER . 6895 1 13 -9 GLY . 6895 1 14 -8 LEU . 6895 1 15 -7 VAL . 6895 1 16 -6 PRO . 6895 1 17 -5 ARG . 6895 1 18 -4 GLY . 6895 1 19 -3 SER . 6895 1 20 -2 HIS . 6895 1 21 -1 MET . 6895 1 22 1 ASN . 6895 1 23 2 THR . 6895 1 24 3 GLU . 6895 1 25 4 ASN . 6895 1 26 5 LYS . 6895 1 27 6 SER . 6895 1 28 7 GLN . 6895 1 29 8 PRO . 6895 1 30 9 LYS . 6895 1 31 10 ARG . 6895 1 32 11 LEU . 6895 1 33 12 HIS . 6895 1 34 13 VAL . 6895 1 35 14 SER . 6895 1 36 15 ASN . 6895 1 37 16 ILE . 6895 1 38 17 PRO . 6895 1 39 18 PHE . 6895 1 40 19 ARG . 6895 1 41 20 PHE . 6895 1 42 21 ARG . 6895 1 43 22 ASP . 6895 1 44 23 PRO . 6895 1 45 24 ASP . 6895 1 46 25 LEU . 6895 1 47 26 ARG . 6895 1 48 27 GLN . 6895 1 49 28 MET . 6895 1 50 29 PHE . 6895 1 51 30 GLY . 6895 1 52 31 GLN . 6895 1 53 32 PHE . 6895 1 54 33 GLY . 6895 1 55 34 LYS . 6895 1 56 35 ILE . 6895 1 57 36 LEU . 6895 1 58 37 ASP . 6895 1 59 38 VAL . 6895 1 60 39 GLU . 6895 1 61 40 ILE . 6895 1 62 41 ILE . 6895 1 63 42 PHE . 6895 1 64 43 ASN . 6895 1 65 44 GLU . 6895 1 66 45 ARG . 6895 1 67 46 GLY . 6895 1 68 47 SER . 6895 1 69 48 LYS . 6895 1 70 49 GLY . 6895 1 71 50 PHE . 6895 1 72 51 GLY . 6895 1 73 52 PHE . 6895 1 74 53 VAL . 6895 1 75 54 THR . 6895 1 76 55 PHE . 6895 1 77 56 GLU . 6895 1 78 57 ASN . 6895 1 79 58 SER . 6895 1 80 59 ALA . 6895 1 81 60 ASP . 6895 1 82 61 ALA . 6895 1 83 62 ASP . 6895 1 84 63 ARG . 6895 1 85 64 ALA . 6895 1 86 65 ARG . 6895 1 87 66 GLU . 6895 1 88 67 LYS . 6895 1 89 68 LEU . 6895 1 90 69 HIS . 6895 1 91 70 GLY . 6895 1 92 71 THR . 6895 1 93 72 VAL . 6895 1 94 73 VAL . 6895 1 95 74 GLU . 6895 1 96 75 GLY . 6895 1 97 76 ARG . 6895 1 98 77 LYS . 6895 1 99 78 ILE . 6895 1 100 79 GLU . 6895 1 101 80 VAL . 6895 1 102 81 ASN . 6895 1 103 82 ASN . 6895 1 104 83 ALA . 6895 1 105 84 THR . 6895 1 106 85 ALA . 6895 1 107 86 ARG . 6895 1 108 87 VAL . 6895 1 109 88 MET . 6895 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 6895 1 . GLY 2 2 6895 1 . SER 3 3 6895 1 . SER 4 4 6895 1 . HIS 5 5 6895 1 . HIS 6 6 6895 1 . HIS 7 7 6895 1 . HIS 8 8 6895 1 . HIS 9 9 6895 1 . HIS 10 10 6895 1 . SER 11 11 6895 1 . SER 12 12 6895 1 . GLY 13 13 6895 1 . LEU 14 14 6895 1 . VAL 15 15 6895 1 . PRO 16 16 6895 1 . ARG 17 17 6895 1 . GLY 18 18 6895 1 . SER 19 19 6895 1 . HIS 20 20 6895 1 . MET 21 21 6895 1 . ASN 22 22 6895 1 . THR 23 23 6895 1 . GLU 24 24 6895 1 . ASN 25 25 6895 1 . LYS 26 26 6895 1 . SER 27 27 6895 1 . GLN 28 28 6895 1 . PRO 29 29 6895 1 . LYS 30 30 6895 1 . ARG 31 31 6895 1 . LEU 32 32 6895 1 . HIS 33 33 6895 1 . VAL 34 34 6895 1 . SER 35 35 6895 1 . ASN 36 36 6895 1 . ILE 37 37 6895 1 . PRO 38 38 6895 1 . PHE 39 39 6895 1 . ARG 40 40 6895 1 . PHE 41 41 6895 1 . ARG 42 42 6895 1 . ASP 43 43 6895 1 . PRO 44 44 6895 1 . ASP 45 45 6895 1 . LEU 46 46 6895 1 . ARG 47 47 6895 1 . GLN 48 48 6895 1 . MET 49 49 6895 1 . PHE 50 50 6895 1 . GLY 51 51 6895 1 . GLN 52 52 6895 1 . PHE 53 53 6895 1 . GLY 54 54 6895 1 . LYS 55 55 6895 1 . ILE 56 56 6895 1 . LEU 57 57 6895 1 . ASP 58 58 6895 1 . VAL 59 59 6895 1 . GLU 60 60 6895 1 . ILE 61 61 6895 1 . ILE 62 62 6895 1 . PHE 63 63 6895 1 . ASN 64 64 6895 1 . GLU 65 65 6895 1 . ARG 66 66 6895 1 . GLY 67 67 6895 1 . SER 68 68 6895 1 . LYS 69 69 6895 1 . GLY 70 70 6895 1 . PHE 71 71 6895 1 . GLY 72 72 6895 1 . PHE 73 73 6895 1 . VAL 74 74 6895 1 . THR 75 75 6895 1 . PHE 76 76 6895 1 . GLU 77 77 6895 1 . ASN 78 78 6895 1 . SER 79 79 6895 1 . ALA 80 80 6895 1 . ASP 81 81 6895 1 . ALA 82 82 6895 1 . ASP 83 83 6895 1 . ARG 84 84 6895 1 . ALA 85 85 6895 1 . ARG 86 86 6895 1 . GLU 87 87 6895 1 . LYS 88 88 6895 1 . LEU 89 89 6895 1 . HIS 90 90 6895 1 . GLY 91 91 6895 1 . THR 92 92 6895 1 . VAL 93 93 6895 1 . VAL 94 94 6895 1 . GLU 95 95 6895 1 . GLY 96 96 6895 1 . ARG 97 97 6895 1 . LYS 98 98 6895 1 . ILE 99 99 6895 1 . GLU 100 100 6895 1 . VAL 101 101 6895 1 . ASN 102 102 6895 1 . ASN 103 103 6895 1 . ALA 104 104 6895 1 . THR 105 105 6895 1 . ALA 106 106 6895 1 . ARG 107 107 6895 1 . VAL 108 108 6895 1 . MET 109 109 6895 1 stop_ save_ save_d1 _Entity.Sf_category entity _Entity.Sf_framecode d1 _Entity.Entry_ID 6895 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name UGCAUGU _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code UGCAUGU _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 7 _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 . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID UGCAUGU abbreviation 6895 2 UGCAUGU common 6895 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 . U . 6895 2 2 . G . 6895 2 3 . C . 6895 2 4 . A . 6895 2 5 . U . 6895 2 6 . G . 6895 2 7 . U . 6895 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 . U 1 1 6895 2 . G 2 2 6895 2 . C 3 3 6895 2 . A 4 4 6895 2 . U 5 5 6895 2 . G 6 6 6895 2 . U 7 7 6895 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 6895 _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 $fox-1 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6895 1 2 2 $d1 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6895 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 6895 _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 $fox-1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6895 1 2 2 $d1 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6895 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6895 _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 'Ataxin-2-binding protein 1' [U-15N] . . 1 $fox-1 . . 1 . . mM . . . . 6895 1 2 UGCAUGU . . . 2 $d1 . . 1 . . mM . . . . 6895 1 3 'sodium phoshphate' . . . . . . . 20 . . mM . . . . 6895 1 4 NaCl . . . . . . . 30 . . mM . . . . 6895 1 5 H2O . . . . . . . 90 . . % . . . . 6895 1 6 D2O . . . . . . . 10 . . % . . . . 6895 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6895 _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 'Ataxin-2-binding protein 1' '[U-13C; U-15N]' . . 1 $fox-1 . . 1 . . mM . . . . 6895 2 2 UGCAUGU . . . 2 $d1 . . 1 . . mM . . . . 6895 2 3 'sodium phoshphate' . . . . . . . 20 . . mM . . . . 6895 2 4 NaCl . . . . . . . 30 . . mM . . . . 6895 2 5 H2O . . . . . . . 90 . . % . . . . 6895 2 6 D2O . . . . . . . 10 . . % . . . . 6895 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6895 _Sample.ID 3 _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 'Ataxin-2-binding protein 1' [U-15N] . . 1 $fox-1 . . 1 . . mM . . . . 6895 3 2 UGCAUGU . . . 2 $d1 . . 1 . . mM . . . . 6895 3 3 'sodium phoshphate' . . . . . . . 20 . . mM . . . . 6895 3 4 NaCl . . . . . . . 30 . . mM . . . . 6895 3 5 D2O . . . . . . . 100 . . % . . . . 6895 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 6895 _Sample.ID 4 _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 'Ataxin-2-binding protein 1' '[U-13C; U-15N]' . . 1 $fox-1 . . 1 . . mM . . . . 6895 4 2 UGCAUGU . . . 2 $d1 . . 1 . . mM . . . . 6895 4 3 'sodium phoshphate' . . . . . . . 20 . . mM . . . . 6895 4 4 NaCl . . . . . . . 30 . . mM . . . . 6895 4 5 D2O . . . . . . . 100 . . % . . . . 6895 4 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 6895 _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 6.5 . pH 6895 1 pressure 1 . atm 6895 1 temperature 313 . K 6895 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 6895 _Software.ID 1 _Software.Name CYANA _Software.Version 2.0 _Software.Details 'Peter Guentert' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6895 1 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 6895 _Software.ID 2 _Software.Name AMBER _Software.Version 7.0 _Software.Details 'David A. Case' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6895 2 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 6895 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6895 _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 AVANCE . 900 . . . 6895 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 6895 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6895 1 2 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6895 1 3 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6895 1 4 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6895 1 5 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6895 1 6 HNCOCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6895 1 7 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6895 1 8 '2D F1' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6895 1 9 'F2-edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6895 1 10 '2D F1-edited' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6895 1 11 'F2-fitered NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6895 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 6895 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 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 6895 _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 6895 _NMR_spec_expt.ID 3 _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6895 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCA _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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6895 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCACONH _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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6895 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCOCA _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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6895 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCCH-TOCSY _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_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6895 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '2D F1' _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_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6895 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 'F2-edited 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_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6895 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '2D F1-edited' _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_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 6895 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name 'F2-fitered 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 6895 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6895 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6895 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6895 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 6895 _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 . 6895 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 29 29 PRO CA C 13 62.465 0.050 . 1 . . . . . . . . 6895 1 2 . 1 1 29 29 PRO CB C 13 32.682 0.054 . 1 . . . . . . . . 6895 1 3 . 1 1 29 29 PRO CD C 13 50.015 0.057 . 1 . . . . . . . . 6895 1 4 . 1 1 29 29 PRO CG C 13 26.381 0.000 . 1 . . . . . . . . 6895 1 5 . 1 1 29 29 PRO HA H 1 4.613 0.009 . 1 . . . . . . . . 6895 1 6 . 1 1 29 29 PRO HB2 H 1 1.68 0.010 . 2 . . . . . . . . 6895 1 7 . 1 1 29 29 PRO HB3 H 1 2.198 0.018 . 2 . . . . . . . . 6895 1 8 . 1 1 29 29 PRO HD2 H 1 3.601 0.005 . 2 . . . . . . . . 6895 1 9 . 1 1 29 29 PRO HD3 H 1 3.828 0.002 . 2 . . . . . . . . 6895 1 10 . 1 1 29 29 PRO HG2 H 1 1.921 0.004 . 1 . . . . . . . . 6895 1 11 . 1 1 30 30 LYS CA C 13 55.766 0.045 . 1 . . . . . . . . 6895 1 12 . 1 1 30 30 LYS CB C 13 36.363 0.084 . 1 . . . . . . . . 6895 1 13 . 1 1 30 30 LYS CD C 13 29.386 0.000 . 1 . . . . . . . . 6895 1 14 . 1 1 30 30 LYS CE C 13 41.016 0.340 . 1 . . . . . . . . 6895 1 15 . 1 1 30 30 LYS CG C 13 25.384 0.000 . 1 . . . . . . . . 6895 1 16 . 1 1 30 30 LYS HA H 1 4.568 0.005 . 1 . . . . . . . . 6895 1 17 . 1 1 30 30 LYS HB2 H 1 1.528 0.004 . 2 . . . . . . . . 6895 1 18 . 1 1 30 30 LYS HB3 H 1 1.693 0.007 . 2 . . . . . . . . 6895 1 19 . 1 1 30 30 LYS HD2 H 1 1.733 0.000 . 2 . . . . . . . . 6895 1 20 . 1 1 30 30 LYS HD3 H 1 1.688 0.000 . 2 . . . . . . . . 6895 1 21 . 1 1 30 30 LYS H H 1 8.062 0.003 . 1 . . . . . . . . 6895 1 22 . 1 1 30 30 LYS N N 15 119.098 0.020 . 1 . . . . . . . . 6895 1 23 . 1 1 30 30 LYS HE2 H 1 2.838 0.051 . 2 . . . . . . . . 6895 1 24 . 1 1 30 30 LYS HG2 H 1 1.2 0.000 . 2 . . . . . . . . 6895 1 25 . 1 1 31 31 ARG CA C 13 53.627 0.018 . 1 . . . . . . . . 6895 1 26 . 1 1 31 31 ARG CB C 13 32.915 0.044 . 1 . . . . . . . . 6895 1 27 . 1 1 31 31 ARG CD C 13 44.049 0.076 . 1 . . . . . . . . 6895 1 28 . 1 1 31 31 ARG CG C 13 27.439 0.079 . 1 . . . . . . . . 6895 1 29 . 1 1 31 31 ARG HA H 1 5.559 0.014 . 1 . . . . . . . . 6895 1 30 . 1 1 31 31 ARG HB2 H 1 1.499 0.013 . 2 . . . . . . . . 6895 1 31 . 1 1 31 31 ARG HB3 H 1 1.895 0.004 . 2 . . . . . . . . 6895 1 32 . 1 1 31 31 ARG HD2 H 1 3.024 0.016 . 2 . . . . . . . . 6895 1 33 . 1 1 31 31 ARG HD3 H 1 3.112 0.016 . 2 . . . . . . . . 6895 1 34 . 1 1 31 31 ARG HG2 H 1 1.39 0.004 . 2 . . . . . . . . 6895 1 35 . 1 1 31 31 ARG HG3 H 1 1.687 0.011 . 2 . . . . . . . . 6895 1 36 . 1 1 31 31 ARG H H 1 8.896 0.012 . 1 . . . . . . . . 6895 1 37 . 1 1 31 31 ARG N N 15 130.707 0.036 . 1 . . . . . . . . 6895 1 38 . 1 1 32 32 LEU CA C 13 52.483 0.008 . 1 . . . . . . . . 6895 1 39 . 1 1 32 32 LEU CB C 13 44.08 0.024 . 1 . . . . . . . . 6895 1 40 . 1 1 32 32 LEU CD1 C 13 21.955 0.054 . 2 . . . . . . . . 6895 1 41 . 1 1 32 32 LEU CD2 C 13 25.988 0.024 . 2 . . . . . . . . 6895 1 42 . 1 1 32 32 LEU CG C 13 26.378 0.111 . 1 . . . . . . . . 6895 1 43 . 1 1 32 32 LEU HA H 1 5.138 0.004 . 1 . . . . . . . . 6895 1 44 . 1 1 32 32 LEU HB2 H 1 1.468 0.008 . 2 . . . . . . . . 6895 1 45 . 1 1 32 32 LEU HB3 H 1 1.618 0.002 . 2 . . . . . . . . 6895 1 46 . 1 1 32 32 LEU HG H 1 1.773 0.005 . 1 . . . . . . . . 6895 1 47 . 1 1 32 32 LEU H H 1 9.577 0.006 . 1 . . . . . . . . 6895 1 48 . 1 1 32 32 LEU N N 15 125.987 0.043 . 1 . . . . . . . . 6895 1 49 . 1 1 32 32 LEU HD11 H 1 0.84 0.005 . 2 . . . . . . . . 6895 1 50 . 1 1 32 32 LEU HD12 H 1 0.84 0.005 . 2 . . . . . . . . 6895 1 51 . 1 1 32 32 LEU HD13 H 1 0.84 0.005 . 2 . . . . . . . . 6895 1 52 . 1 1 32 32 LEU HD21 H 1 0.997 0.003 . 2 . . . . . . . . 6895 1 53 . 1 1 32 32 LEU HD22 H 1 0.997 0.003 . 2 . . . . . . . . 6895 1 54 . 1 1 32 32 LEU HD23 H 1 0.997 0.003 . 2 . . . . . . . . 6895 1 55 . 1 1 33 33 HIS CA C 13 53.942 0.062 . 1 . . . . . . . . 6895 1 56 . 1 1 33 33 HIS CB C 13 34.48 0.015 . 1 . . . . . . . . 6895 1 57 . 1 1 33 33 HIS HA H 1 4.628 0.002 . 1 . . . . . . . . 6895 1 58 . 1 1 33 33 HIS HB2 H 1 2.894 0.011 . 2 . . . . . . . . 6895 1 59 . 1 1 33 33 HIS HB3 H 1 2.485 0.008 . 2 . . . . . . . . 6895 1 60 . 1 1 33 33 HIS HD2 H 1 6.007 0.003 . 1 . . . . . . . . 6895 1 61 . 1 1 33 33 HIS HE1 H 1 7.058 0.003 . 1 . . . . . . . . 6895 1 62 . 1 1 33 33 HIS H H 1 9.06 0.002 . 1 . . . . . . . . 6895 1 63 . 1 1 33 33 HIS N N 15 123.822 0.072 . 1 . . . . . . . . 6895 1 64 . 1 1 34 34 VAL CA C 13 57.909 0.001 . 1 . . . . . . . . 6895 1 65 . 1 1 34 34 VAL CB C 13 32.988 0.057 . 1 . . . . . . . . 6895 1 66 . 1 1 34 34 VAL CG1 C 13 20.754 0.026 . 2 . . . . . . . . 6895 1 67 . 1 1 34 34 VAL CG2 C 13 19.658 0.050 . 2 . . . . . . . . 6895 1 68 . 1 1 34 34 VAL HA H 1 4.981 0.003 . 1 . . . . . . . . 6895 1 69 . 1 1 34 34 VAL HB H 1 1.619 0.003 . 1 . . . . . . . . 6895 1 70 . 1 1 34 34 VAL H H 1 8.433 0.005 . 1 . . . . . . . . 6895 1 71 . 1 1 34 34 VAL N N 15 126.445 0.044 . 1 . . . . . . . . 6895 1 72 . 1 1 34 34 VAL HG11 H 1 0.684 0.001 . 2 . . . . . . . . 6895 1 73 . 1 1 34 34 VAL HG12 H 1 0.684 0.001 . 2 . . . . . . . . 6895 1 74 . 1 1 34 34 VAL HG13 H 1 0.684 0.001 . 2 . . . . . . . . 6895 1 75 . 1 1 34 34 VAL HG21 H 1 0.756 0.002 . 2 . . . . . . . . 6895 1 76 . 1 1 34 34 VAL HG22 H 1 0.756 0.002 . 2 . . . . . . . . 6895 1 77 . 1 1 34 34 VAL HG23 H 1 0.756 0.002 . 2 . . . . . . . . 6895 1 78 . 1 1 35 35 SER CA C 13 55.01 0.080 . 1 . . . . . . . . 6895 1 79 . 1 1 35 35 SER CB C 13 64.334 0.058 . 1 . . . . . . . . 6895 1 80 . 1 1 35 35 SER HA H 1 4.859 0.012 . 1 . . . . . . . . 6895 1 81 . 1 1 35 35 SER HB2 H 1 3.311 0.005 . 2 . . . . . . . . 6895 1 82 . 1 1 35 35 SER HB3 H 1 2.922 0.005 . 2 . . . . . . . . 6895 1 83 . 1 1 35 35 SER H H 1 9.063 0.009 . 1 . . . . . . . . 6895 1 84 . 1 1 35 35 SER N N 15 118.629 0.043 . 1 . . . . . . . . 6895 1 85 . 1 1 36 36 ASN CA C 13 53.261 0.082 . 1 . . . . . . . . 6895 1 86 . 1 1 36 36 ASN CB C 13 37.55 0.003 . 1 . . . . . . . . 6895 1 87 . 1 1 36 36 ASN HA H 1 4.738 0.008 . 1 . . . . . . . . 6895 1 88 . 1 1 36 36 ASN HB2 H 1 2.239 0.004 . 2 . . . . . . . . 6895 1 89 . 1 1 36 36 ASN HB3 H 1 3.481 0.009 . 2 . . . . . . . . 6895 1 90 . 1 1 36 36 ASN HD21 H 1 6.547 0.000 . 2 . . . . . . . . 6895 1 91 . 1 1 36 36 ASN HD22 H 1 7.8 0.000 . 2 . . . . . . . . 6895 1 92 . 1 1 36 36 ASN H H 1 7.523 0.013 . 1 . . . . . . . . 6895 1 93 . 1 1 36 36 ASN N N 15 119.343 0.035 . 1 . . . . . . . . 6895 1 94 . 1 1 36 36 ASN ND2 N 15 110.411 0.001 . 1 . . . . . . . . 6895 1 95 . 1 1 37 37 ILE CA C 13 58.526 0.090 . 1 . . . . . . . . 6895 1 96 . 1 1 37 37 ILE CB C 13 35.787 0.069 . 1 . . . . . . . . 6895 1 97 . 1 1 37 37 ILE CD1 C 13 13.269 0.118 . 1 . . . . . . . . 6895 1 98 . 1 1 37 37 ILE CG1 C 13 28.204 0.000 . 1 . . . . . . . . 6895 1 99 . 1 1 37 37 ILE CG2 C 13 18.428 0.054 . 1 . . . . . . . . 6895 1 100 . 1 1 37 37 ILE HA H 1 3.975 0.010 . 1 . . . . . . . . 6895 1 101 . 1 1 37 37 ILE HB H 1 1.39 0.016 . 1 . . . . . . . . 6895 1 102 . 1 1 37 37 ILE HG12 H 1 1.821 0.015 . 2 . . . . . . . . 6895 1 103 . 1 1 37 37 ILE HG13 H 1 1.692 0.008 . 2 . . . . . . . . 6895 1 104 . 1 1 37 37 ILE H H 1 7.211 0.011 . 1 . . . . . . . . 6895 1 105 . 1 1 37 37 ILE N N 15 106.875 0.038 . 1 . . . . . . . . 6895 1 106 . 1 1 37 37 ILE HD11 H 1 0.677 0.015 . 1 . . . . . . . . 6895 1 107 . 1 1 37 37 ILE HD12 H 1 0.677 0.015 . 1 . . . . . . . . 6895 1 108 . 1 1 37 37 ILE HD13 H 1 0.677 0.015 . 1 . . . . . . . . 6895 1 109 . 1 1 37 37 ILE HG21 H 1 0.678 0.015 . 1 . . . . . . . . 6895 1 110 . 1 1 37 37 ILE HG22 H 1 0.678 0.015 . 1 . . . . . . . . 6895 1 111 . 1 1 37 37 ILE HG23 H 1 0.678 0.015 . 1 . . . . . . . . 6895 1 112 . 1 1 38 38 PRO CA C 13 62.687 0.000 . 1 . . . . . . . . 6895 1 113 . 1 1 38 38 PRO CD C 13 49.085 0.091 . 1 . . . . . . . . 6895 1 114 . 1 1 38 38 PRO CG C 13 27.671 0.000 . 1 . . . . . . . . 6895 1 115 . 1 1 38 38 PRO HA H 1 4.497 0.015 . 1 . . . . . . . . 6895 1 116 . 1 1 38 38 PRO HD2 H 1 1.703 0.014 . 2 . . . . . . . . 6895 1 117 . 1 1 38 38 PRO HD3 H 1 3.062 0.017 . 2 . . . . . . . . 6895 1 118 . 1 1 38 38 PRO HG2 H 1 1.29 0.006 . 2 . . . . . . . . 6895 1 119 . 1 1 38 38 PRO HG3 H 1 1.378 0.004 . 2 . . . . . . . . 6895 1 120 . 1 1 39 39 PHE CA C 13 56.158 0.000 . 1 . . . . . . . . 6895 1 121 . 1 1 39 39 PHE CB C 13 36.542 0.093 . 1 . . . . . . . . 6895 1 122 . 1 1 39 39 PHE HA H 1 4.55 0.050 . 1 . . . . . . . . 6895 1 123 . 1 1 39 39 PHE HB2 H 1 2.894 0.013 . 2 . . . . . . . . 6895 1 124 . 1 1 39 39 PHE HB3 H 1 3.286 0.010 . 2 . . . . . . . . 6895 1 125 . 1 1 39 39 PHE H H 1 9.192 0.002 . 1 . . . . . . . . 6895 1 126 . 1 1 39 39 PHE HZ H 1 6.635 0.004 . 1 . . . . . . . . 6895 1 127 . 1 1 39 39 PHE N N 15 128.487 0.027 . 1 . . . . . . . . 6895 1 128 . 1 1 39 39 PHE HD1 H 1 6.668 0.008 . 3 . . . . . . . . 6895 1 129 . 1 1 39 39 PHE HE1 H 1 6.381 0.004 . 3 . . . . . . . . 6895 1 130 . 1 1 40 40 ARG CA C 13 56.29 0.000 . 1 . . . . . . . . 6895 1 131 . 1 1 40 40 ARG CB C 13 28.797 0.000 . 1 . . . . . . . . 6895 1 132 . 1 1 40 40 ARG CD C 13 41.515 0.057 . 1 . . . . . . . . 6895 1 133 . 1 1 40 40 ARG CG C 13 24.849 0.028 . 1 . . . . . . . . 6895 1 134 . 1 1 40 40 ARG HA H 1 4.171 0.006 . 1 . . . . . . . . 6895 1 135 . 1 1 40 40 ARG HB2 H 1 1.42 0.000 . 2 . . . . . . . . 6895 1 136 . 1 1 40 40 ARG HB3 H 1 1.579 0.000 . 2 . . . . . . . . 6895 1 137 . 1 1 40 40 ARG HD2 H 1 2.896 0.000 . 2 . . . . . . . . 6895 1 138 . 1 1 40 40 ARG HD3 H 1 2.986 0.000 . 2 . . . . . . . . 6895 1 139 . 1 1 40 40 ARG HG2 H 1 1.255 0.000 . 2 . . . . . . . . 6895 1 140 . 1 1 40 40 ARG HG3 H 1 1.435 0.000 . 2 . . . . . . . . 6895 1 141 . 1 1 40 40 ARG H H 1 8.521 0.000 . 1 . . . . . . . . 6895 1 142 . 1 1 40 40 ARG N N 15 113.028 0.002 . 1 . . . . . . . . 6895 1 143 . 1 1 41 41 PHE CA C 13 57.334 0.000 . 1 . . . . . . . . 6895 1 144 . 1 1 41 41 PHE CB C 13 37.622 0.059 . 1 . . . . . . . . 6895 1 145 . 1 1 41 41 PHE HA H 1 4.583 0.003 . 1 . . . . . . . . 6895 1 146 . 1 1 41 41 PHE HB2 H 1 2.724 0.006 . 2 . . . . . . . . 6895 1 147 . 1 1 41 41 PHE HB3 H 1 3.687 0.013 . 2 . . . . . . . . 6895 1 148 . 1 1 41 41 PHE H H 1 7.721 0.006 . 1 . . . . . . . . 6895 1 149 . 1 1 41 41 PHE N N 15 119.65 0.074 . 1 . . . . . . . . 6895 1 150 . 1 1 41 41 PHE HD1 H 1 6.91 0.007 . 3 . . . . . . . . 6895 1 151 . 1 1 41 41 PHE HE1 H 1 7.324 0.003 . 3 . . . . . . . . 6895 1 152 . 1 1 42 42 ARG CA C 13 52.006 0.025 . 1 . . . . . . . . 6895 1 153 . 1 1 42 42 ARG CB C 13 33.101 0.014 . 1 . . . . . . . . 6895 1 154 . 1 1 42 42 ARG CD C 13 41.97 0.034 . 1 . . . . . . . . 6895 1 155 . 1 1 42 42 ARG CG C 13 26.15 0.023 . 1 . . . . . . . . 6895 1 156 . 1 1 42 42 ARG HA H 1 4.947 0.007 . 1 . . . . . . . . 6895 1 157 . 1 1 42 42 ARG HB2 H 1 1.885 0.000 . 2 . . . . . . . . 6895 1 158 . 1 1 42 42 ARG HB3 H 1 2.236 0.000 . 2 . . . . . . . . 6895 1 159 . 1 1 42 42 ARG HD2 H 1 3.401 0.008 . 2 . . . . . . . . 6895 1 160 . 1 1 42 42 ARG HD3 H 1 3.693 0.002 . 2 . . . . . . . . 6895 1 161 . 1 1 42 42 ARG HG2 H 1 1.83 0.004 . 2 . . . . . . . . 6895 1 162 . 1 1 42 42 ARG HG3 H 1 1.923 0.007 . 2 . . . . . . . . 6895 1 163 . 1 1 42 42 ARG H H 1 9.897 0.006 . 1 . . . . . . . . 6895 1 164 . 1 1 42 42 ARG N N 15 124.599 0.056 . 1 . . . . . . . . 6895 1 165 . 1 1 43 43 ASP CA C 13 59.196 0.020 . 1 . . . . . . . . 6895 1 166 . 1 1 43 43 ASP CB C 13 38.258 0.067 . 1 . . . . . . . . 6895 1 167 . 1 1 43 43 ASP HA H 1 4.246 0.000 . 1 . . . . . . . . 6895 1 168 . 1 1 43 43 ASP HB2 H 1 2.711 0.006 . 2 . . . . . . . . 6895 1 169 . 1 1 43 43 ASP HB3 H 1 2.743 0.008 . 2 . . . . . . . . 6895 1 170 . 1 1 43 43 ASP H H 1 8.929 0.004 . 1 . . . . . . . . 6895 1 171 . 1 1 43 43 ASP N N 15 121.241 0.052 . 1 . . . . . . . . 6895 1 172 . 1 1 44 44 PRO CA C 13 65.445 0.013 . 1 . . . . . . . . 6895 1 173 . 1 1 44 44 PRO CB C 13 30.266 0.089 . 1 . . . . . . . . 6895 1 174 . 1 1 44 44 PRO CD C 13 50.131 0.147 . 1 . . . . . . . . 6895 1 175 . 1 1 44 44 PRO CG C 13 27.574 0.078 . 1 . . . . . . . . 6895 1 176 . 1 1 44 44 PRO HA H 1 4.158 0.013 . 1 . . . . . . . . 6895 1 177 . 1 1 44 44 PRO HB2 H 1 1.758 0.021 . 2 . . . . . . . . 6895 1 178 . 1 1 44 44 PRO HB3 H 1 2.302 0.001 . 2 . . . . . . . . 6895 1 179 . 1 1 44 44 PRO HD2 H 1 3.565 0.012 . 2 . . . . . . . . 6895 1 180 . 1 1 44 44 PRO HD3 H 1 3.783 0.009 . 2 . . . . . . . . 6895 1 181 . 1 1 44 44 PRO HG2 H 1 1.946 0.004 . 1 . . . . . . . . 6895 1 182 . 1 1 45 45 ASP CA C 13 56.457 0.059 . 1 . . . . . . . . 6895 1 183 . 1 1 45 45 ASP CB C 13 39.777 0.113 . 1 . . . . . . . . 6895 1 184 . 1 1 45 45 ASP HA H 1 4.05 0.005 . 1 . . . . . . . . 6895 1 185 . 1 1 45 45 ASP HB2 H 1 0.923 0.004 . 2 . . . . . . . . 6895 1 186 . 1 1 45 45 ASP HB3 H 1 1.976 0.002 . 2 . . . . . . . . 6895 1 187 . 1 1 45 45 ASP H H 1 7.413 0.005 . 1 . . . . . . . . 6895 1 188 . 1 1 45 45 ASP N N 15 115.078 0.027 . 1 . . . . . . . . 6895 1 189 . 1 1 46 46 LEU CA C 13 56.461 0.000 . 1 . . . . . . . . 6895 1 190 . 1 1 46 46 LEU CB C 13 41.798 0.053 . 1 . . . . . . . . 6895 1 191 . 1 1 46 46 LEU CD1 C 13 25.079 0.025 . 2 . . . . . . . . 6895 1 192 . 1 1 46 46 LEU CD2 C 13 23.241 0.116 . 2 . . . . . . . . 6895 1 193 . 1 1 46 46 LEU CG C 13 28.528 0.000 . 1 . . . . . . . . 6895 1 194 . 1 1 46 46 LEU HA H 1 4.339 0.012 . 1 . . . . . . . . 6895 1 195 . 1 1 46 46 LEU HB2 H 1 1.451 0.008 . 2 . . . . . . . . 6895 1 196 . 1 1 46 46 LEU HB3 H 1 1.79 0.005 . 2 . . . . . . . . 6895 1 197 . 1 1 46 46 LEU HG H 1 1.679 0.000 . 1 . . . . . . . . 6895 1 198 . 1 1 46 46 LEU H H 1 7.26 0.018 . 1 . . . . . . . . 6895 1 199 . 1 1 46 46 LEU N N 15 117.926 0.113 . 1 . . . . . . . . 6895 1 200 . 1 1 46 46 LEU HD11 H 1 0.788 0.003 . 2 . . . . . . . . 6895 1 201 . 1 1 46 46 LEU HD12 H 1 0.788 0.003 . 2 . . . . . . . . 6895 1 202 . 1 1 46 46 LEU HD13 H 1 0.788 0.003 . 2 . . . . . . . . 6895 1 203 . 1 1 46 46 LEU HD21 H 1 0.895 0.003 . 2 . . . . . . . . 6895 1 204 . 1 1 46 46 LEU HD22 H 1 0.895 0.003 . 2 . . . . . . . . 6895 1 205 . 1 1 46 46 LEU HD23 H 1 0.895 0.003 . 2 . . . . . . . . 6895 1 206 . 1 1 47 47 ARG CA C 13 60.066 0.009 . 1 . . . . . . . . 6895 1 207 . 1 1 47 47 ARG CB C 13 28.816 0.014 . 1 . . . . . . . . 6895 1 208 . 1 1 47 47 ARG CD C 13 42.14 0.023 . 1 . . . . . . . . 6895 1 209 . 1 1 47 47 ARG CG C 13 29.551 0.003 . 1 . . . . . . . . 6895 1 210 . 1 1 47 47 ARG HA H 1 3.719 0.002 . 1 . . . . . . . . 6895 1 211 . 1 1 47 47 ARG HB2 H 1 1.424 0.007 . 2 . . . . . . . . 6895 1 212 . 1 1 47 47 ARG HB3 H 1 1.58 0.001 . 2 . . . . . . . . 6895 1 213 . 1 1 47 47 ARG HD2 H 1 3.018 0.001 . 2 . . . . . . . . 6895 1 214 . 1 1 47 47 ARG HD3 H 1 3.26 0.006 . 2 . . . . . . . . 6895 1 215 . 1 1 47 47 ARG H H 1 8.555 0.007 . 1 . . . . . . . . 6895 1 216 . 1 1 47 47 ARG N N 15 119.909 0.037 . 1 . . . . . . . . 6895 1 217 . 1 1 47 47 ARG HG2 H 1 1.813 0.012 . 2 . . . . . . . . 6895 1 218 . 1 1 48 48 GLN CA C 13 57.947 0.083 . 1 . . . . . . . . 6895 1 219 . 1 1 48 48 GLN CB C 13 27.701 0.014 . 1 . . . . . . . . 6895 1 220 . 1 1 48 48 GLN CG C 13 32.999 0.011 . 1 . . . . . . . . 6895 1 221 . 1 1 48 48 GLN HA H 1 4.028 0.009 . 1 . . . . . . . . 6895 1 222 . 1 1 48 48 GLN HB2 H 1 2.083 0.001 . 2 . . . . . . . . 6895 1 223 . 1 1 48 48 GLN HB3 H 1 2.123 0.003 . 2 . . . . . . . . 6895 1 224 . 1 1 48 48 GLN HE21 H 1 6.717 0.000 . 2 . . . . . . . . 6895 1 225 . 1 1 48 48 GLN HE22 H 1 7.287 0.000 . 2 . . . . . . . . 6895 1 226 . 1 1 48 48 GLN HG2 H 1 2.357 0.000 . 2 . . . . . . . . 6895 1 227 . 1 1 48 48 GLN HG3 H 1 2.405 0.001 . 2 . . . . . . . . 6895 1 228 . 1 1 48 48 GLN H H 1 8.024 0.006 . 1 . . . . . . . . 6895 1 229 . 1 1 48 48 GLN N N 15 118.134 0.026 . 1 . . . . . . . . 6895 1 230 . 1 1 48 48 GLN NE2 N 15 111.094 0.002 . 1 . . . . . . . . 6895 1 231 . 1 1 49 49 MET CA C 13 58.153 0.004 . 1 . . . . . . . . 6895 1 232 . 1 1 49 49 MET CB C 13 33.886 0.021 . 1 . . . . . . . . 6895 1 233 . 1 1 49 49 MET CE C 13 16.948 0.061 . 1 . . . . . . . . 6895 1 234 . 1 1 49 49 MET CG C 13 30.83 0.054 . 1 . . . . . . . . 6895 1 235 . 1 1 49 49 MET HA H 1 4.128 0.005 . 1 . . . . . . . . 6895 1 236 . 1 1 49 49 MET HB2 H 1 2.091 0.002 . 2 . . . . . . . . 6895 1 237 . 1 1 49 49 MET HB3 H 1 2.308 0.000 . 2 . . . . . . . . 6895 1 238 . 1 1 49 49 MET HG2 H 1 1.984 0.005 . 2 . . . . . . . . 6895 1 239 . 1 1 49 49 MET HG3 H 1 2.474 0.005 . 2 . . . . . . . . 6895 1 240 . 1 1 49 49 MET H H 1 7.32 0.009 . 1 . . . . . . . . 6895 1 241 . 1 1 49 49 MET N N 15 117.407 0.044 . 1 . . . . . . . . 6895 1 242 . 1 1 49 49 MET HE1 H 1 2.042 0.003 . 1 . . . . . . . . 6895 1 243 . 1 1 49 49 MET HE2 H 1 2.042 0.003 . 1 . . . . . . . . 6895 1 244 . 1 1 49 49 MET HE3 H 1 2.042 0.003 . 1 . . . . . . . . 6895 1 245 . 1 1 50 50 PHE CA C 13 60.741 0.031 . 1 . . . . . . . . 6895 1 246 . 1 1 50 50 PHE CB C 13 38.382 0.023 . 1 . . . . . . . . 6895 1 247 . 1 1 50 50 PHE HA H 1 4.536 0.008 . 1 . . . . . . . . 6895 1 248 . 1 1 50 50 PHE HB2 H 1 2.918 0.006 . 2 . . . . . . . . 6895 1 249 . 1 1 50 50 PHE HB3 H 1 3.289 0.004 . 2 . . . . . . . . 6895 1 250 . 1 1 50 50 PHE H H 1 8.43 0.015 . 1 . . . . . . . . 6895 1 251 . 1 1 50 50 PHE HZ H 1 7.018 0.002 . 1 . . . . . . . . 6895 1 252 . 1 1 50 50 PHE N N 15 113.864 0.036 . 1 . . . . . . . . 6895 1 253 . 1 1 50 50 PHE HD1 H 1 7.591 0.002 . 3 . . . . . . . . 6895 1 254 . 1 1 50 50 PHE HE1 H 1 7.133 0.002 . 3 . . . . . . . . 6895 1 255 . 1 1 51 51 GLY CA C 13 45.947 0.044 . 1 . . . . . . . . 6895 1 256 . 1 1 51 51 GLY HA2 H 1 4.055 0.007 . 2 . . . . . . . . 6895 1 257 . 1 1 51 51 GLY HA3 H 1 4.384 0.002 . 2 . . . . . . . . 6895 1 258 . 1 1 51 51 GLY H H 1 8.36 0.011 . 1 . . . . . . . . 6895 1 259 . 1 1 51 51 GLY N N 15 109.095 0.028 . 1 . . . . . . . . 6895 1 260 . 1 1 52 52 GLN CA C 13 56.428 0.016 . 1 . . . . . . . . 6895 1 261 . 1 1 52 52 GLN CB C 13 27.934 0.012 . 1 . . . . . . . . 6895 1 262 . 1 1 52 52 GLN CG C 13 32.786 0.069 . 1 . . . . . . . . 6895 1 263 . 1 1 52 52 GLN HA H 1 4.073 0.004 . 1 . . . . . . . . 6895 1 264 . 1 1 52 52 GLN HE21 H 1 6.822 0.000 . 2 . . . . . . . . 6895 1 265 . 1 1 52 52 GLN HE22 H 1 7.573 0.000 . 2 . . . . . . . . 6895 1 266 . 1 1 52 52 GLN HG2 H 1 1.625 0.002 . 2 . . . . . . . . 6895 1 267 . 1 1 52 52 GLN HG3 H 1 1.95 0.002 . 2 . . . . . . . . 6895 1 268 . 1 1 52 52 GLN H H 1 7.034 0.005 . 1 . . . . . . . . 6895 1 269 . 1 1 52 52 GLN N N 15 116.093 0.026 . 1 . . . . . . . . 6895 1 270 . 1 1 52 52 GLN NE2 N 15 112.203 0.000 . 1 . . . . . . . . 6895 1 271 . 1 1 52 52 GLN HB2 H 1 1.648 0.000 . 2 . . . . . . . . 6895 1 272 . 1 1 53 53 PHE CA C 13 58.812 0.015 . 1 . . . . . . . . 6895 1 273 . 1 1 53 53 PHE CB C 13 39.418 0.047 . 1 . . . . . . . . 6895 1 274 . 1 1 53 53 PHE HA H 1 4.389 0.007 . 1 . . . . . . . . 6895 1 275 . 1 1 53 53 PHE HB2 H 1 3.12 0.006 . 2 . . . . . . . . 6895 1 276 . 1 1 53 53 PHE HB3 H 1 3.361 0.009 . 2 . . . . . . . . 6895 1 277 . 1 1 53 53 PHE H H 1 7.911 0.011 . 1 . . . . . . . . 6895 1 278 . 1 1 53 53 PHE HZ H 1 7.118 0.002 . 1 . . . . . . . . 6895 1 279 . 1 1 53 53 PHE N N 15 115.384 0.060 . 1 . . . . . . . . 6895 1 280 . 1 1 53 53 PHE HD1 H 1 7.391 0.002 . 3 . . . . . . . . 6895 1 281 . 1 1 53 53 PHE HE2 H 1 7.226 0.002 . 3 . . . . . . . . 6895 1 282 . 1 1 54 54 GLY CA C 13 43.977 0.050 . 1 . . . . . . . . 6895 1 283 . 1 1 54 54 GLY HA2 H 1 3.868 0.009 . 2 . . . . . . . . 6895 1 284 . 1 1 54 54 GLY HA3 H 1 4.766 0.004 . 2 . . . . . . . . 6895 1 285 . 1 1 54 54 GLY H H 1 7.322 0.002 . 1 . . . . . . . . 6895 1 286 . 1 1 54 54 GLY N N 15 104.724 0.056 . 1 . . . . . . . . 6895 1 287 . 1 1 55 55 LYS CA C 13 57.058 0.010 . 1 . . . . . . . . 6895 1 288 . 1 1 55 55 LYS CB C 13 32.274 0.091 . 1 . . . . . . . . 6895 1 289 . 1 1 55 55 LYS CD C 13 28.182 0.109 . 1 . . . . . . . . 6895 1 290 . 1 1 55 55 LYS CE C 13 43.466 0.056 . 1 . . . . . . . . 6895 1 291 . 1 1 55 55 LYS CG C 13 24.402 0.005 . 1 . . . . . . . . 6895 1 292 . 1 1 55 55 LYS HA H 1 4.159 0.002 . 1 . . . . . . . . 6895 1 293 . 1 1 55 55 LYS HE2 H 1 2.975 0.000 . 2 . . . . . . . . 6895 1 294 . 1 1 55 55 LYS HE3 H 1 3.183 0.000 . 2 . . . . . . . . 6895 1 295 . 1 1 55 55 LYS HG2 H 1 1.219 0.005 . 2 . . . . . . . . 6895 1 296 . 1 1 55 55 LYS HG3 H 1 1.405 0.009 . 2 . . . . . . . . 6895 1 297 . 1 1 55 55 LYS H H 1 8.292 0.005 . 1 . . . . . . . . 6895 1 298 . 1 1 55 55 LYS N N 15 117.807 0.017 . 1 . . . . . . . . 6895 1 299 . 1 1 55 55 LYS HB2 H 1 1.799 0.003 . 2 . . . . . . . . 6895 1 300 . 1 1 55 55 LYS HD2 H 1 1.651 0.006 . 2 . . . . . . . . 6895 1 301 . 1 1 56 56 ILE CA C 13 58.559 0.016 . 1 . . . . . . . . 6895 1 302 . 1 1 56 56 ILE CB C 13 38.754 0.006 . 1 . . . . . . . . 6895 1 303 . 1 1 56 56 ILE CD1 C 13 11.914 0.038 . 1 . . . . . . . . 6895 1 304 . 1 1 56 56 ILE CG1 C 13 26.343 0.039 . 1 . . . . . . . . 6895 1 305 . 1 1 56 56 ILE CG2 C 13 17.916 0.037 . 1 . . . . . . . . 6895 1 306 . 1 1 56 56 ILE HA H 1 4.172 0.011 . 1 . . . . . . . . 6895 1 307 . 1 1 56 56 ILE HB H 1 1.644 0.001 . 1 . . . . . . . . 6895 1 308 . 1 1 56 56 ILE HG12 H 1 0.611 0.006 . 2 . . . . . . . . 6895 1 309 . 1 1 56 56 ILE HG13 H 1 1.322 0.001 . 2 . . . . . . . . 6895 1 310 . 1 1 56 56 ILE H H 1 8.531 0.000 . 1 . . . . . . . . 6895 1 311 . 1 1 56 56 ILE N N 15 127.815 0.069 . 1 . . . . . . . . 6895 1 312 . 1 1 56 56 ILE HD11 H 1 0.197 0.002 . 1 . . . . . . . . 6895 1 313 . 1 1 56 56 ILE HD12 H 1 0.197 0.002 . 1 . . . . . . . . 6895 1 314 . 1 1 56 56 ILE HD13 H 1 0.197 0.002 . 1 . . . . . . . . 6895 1 315 . 1 1 56 56 ILE HG21 H 1 0.507 0.004 . 1 . . . . . . . . 6895 1 316 . 1 1 56 56 ILE HG22 H 1 0.507 0.004 . 1 . . . . . . . . 6895 1 317 . 1 1 56 56 ILE HG23 H 1 0.507 0.004 . 1 . . . . . . . . 6895 1 318 . 1 1 57 57 LEU CA C 13 54.114 0.017 . 1 . . . . . . . . 6895 1 319 . 1 1 57 57 LEU CB C 13 42.803 0.032 . 1 . . . . . . . . 6895 1 320 . 1 1 57 57 LEU CD1 C 13 22.035 0.000 . 2 . . . . . . . . 6895 1 321 . 1 1 57 57 LEU CD2 C 13 25.088 0.379 . 2 . . . . . . . . 6895 1 322 . 1 1 57 57 LEU CG C 13 26.968 0.000 . 1 . . . . . . . . 6895 1 323 . 1 1 57 57 LEU HA H 1 4.44 0.012 . 1 . . . . . . . . 6895 1 324 . 1 1 57 57 LEU HB2 H 1 1.284 0.011 . 2 . . . . . . . . 6895 1 325 . 1 1 57 57 LEU HB3 H 1 1.541 0.005 . 2 . . . . . . . . 6895 1 326 . 1 1 57 57 LEU HG H 1 1.394 0.000 . 1 . . . . . . . . 6895 1 327 . 1 1 57 57 LEU H H 1 8.684 0.006 . 1 . . . . . . . . 6895 1 328 . 1 1 57 57 LEU N N 15 124.652 0.032 . 1 . . . . . . . . 6895 1 329 . 1 1 57 57 LEU HD11 H 1 0.863 0.000 . 2 . . . . . . . . 6895 1 330 . 1 1 57 57 LEU HD12 H 1 0.863 0.000 . 2 . . . . . . . . 6895 1 331 . 1 1 57 57 LEU HD13 H 1 0.863 0.000 . 2 . . . . . . . . 6895 1 332 . 1 1 57 57 LEU HD21 H 1 0.859 0.001 . 2 . . . . . . . . 6895 1 333 . 1 1 57 57 LEU HD22 H 1 0.859 0.001 . 2 . . . . . . . . 6895 1 334 . 1 1 57 57 LEU HD23 H 1 0.859 0.001 . 2 . . . . . . . . 6895 1 335 . 1 1 58 58 ASP CA C 13 54.074 0.008 . 1 . . . . . . . . 6895 1 336 . 1 1 58 58 ASP CB C 13 44.894 0.067 . 1 . . . . . . . . 6895 1 337 . 1 1 58 58 ASP HA H 1 4.792 0.002 . 1 . . . . . . . . 6895 1 338 . 1 1 58 58 ASP HB2 H 1 2.189 0.005 . 2 . . . . . . . . 6895 1 339 . 1 1 58 58 ASP HB3 H 1 2.674 0.002 . 2 . . . . . . . . 6895 1 340 . 1 1 58 58 ASP H H 1 7.24 0.004 . 1 . . . . . . . . 6895 1 341 . 1 1 58 58 ASP N N 15 116.375 0.039 . 1 . . . . . . . . 6895 1 342 . 1 1 59 59 VAL CA C 13 60.346 0.027 . 1 . . . . . . . . 6895 1 343 . 1 1 59 59 VAL CB C 13 34.775 0.081 . 1 . . . . . . . . 6895 1 344 . 1 1 59 59 VAL CG1 C 13 21.051 0.089 . 2 . . . . . . . . 6895 1 345 . 1 1 59 59 VAL CG2 C 13 22.179 0.058 . 2 . . . . . . . . 6895 1 346 . 1 1 59 59 VAL HA H 1 4.827 0.005 . 1 . . . . . . . . 6895 1 347 . 1 1 59 59 VAL HB H 1 1.961 0.001 . 1 . . . . . . . . 6895 1 348 . 1 1 59 59 VAL H H 1 7.842 0.002 . 1 . . . . . . . . 6895 1 349 . 1 1 59 59 VAL N N 15 120.52 0.037 . 1 . . . . . . . . 6895 1 350 . 1 1 59 59 VAL HG11 H 1 0.815 0.003 . 2 . . . . . . . . 6895 1 351 . 1 1 59 59 VAL HG12 H 1 0.815 0.003 . 2 . . . . . . . . 6895 1 352 . 1 1 59 59 VAL HG13 H 1 0.815 0.003 . 2 . . . . . . . . 6895 1 353 . 1 1 59 59 VAL HG21 H 1 0.89 0.004 . 2 . . . . . . . . 6895 1 354 . 1 1 59 59 VAL HG22 H 1 0.89 0.004 . 2 . . . . . . . . 6895 1 355 . 1 1 59 59 VAL HG23 H 1 0.89 0.004 . 2 . . . . . . . . 6895 1 356 . 1 1 60 60 GLU CA C 13 55.356 0.001 . 1 . . . . . . . . 6895 1 357 . 1 1 60 60 GLU CB C 13 33.355 0.180 . 1 . . . . . . . . 6895 1 358 . 1 1 60 60 GLU CG C 13 35.258 0.000 . 1 . . . . . . . . 6895 1 359 . 1 1 60 60 GLU HA H 1 4.683 0.011 . 1 . . . . . . . . 6895 1 360 . 1 1 60 60 GLU HB2 H 1 1.991 0.006 . 2 . . . . . . . . 6895 1 361 . 1 1 60 60 GLU HB3 H 1 2.127 0.019 . 2 . . . . . . . . 6895 1 362 . 1 1 60 60 GLU H H 1 8.827 0.009 . 1 . . . . . . . . 6895 1 363 . 1 1 60 60 GLU N N 15 125.731 0.032 . 1 . . . . . . . . 6895 1 364 . 1 1 60 60 GLU HG2 H 1 2.429 0.000 . 2 . . . . . . . . 6895 1 365 . 1 1 61 61 ILE CA C 13 59.901 0.059 . 1 . . . . . . . . 6895 1 366 . 1 1 61 61 ILE CB C 13 37.949 0.055 . 1 . . . . . . . . 6895 1 367 . 1 1 61 61 ILE CD1 C 13 12.111 0.058 . 1 . . . . . . . . 6895 1 368 . 1 1 61 61 ILE CG1 C 13 28.637 0.090 . 1 . . . . . . . . 6895 1 369 . 1 1 61 61 ILE CG2 C 13 16.638 0.055 . 1 . . . . . . . . 6895 1 370 . 1 1 61 61 ILE HA H 1 4.183 0.008 . 1 . . . . . . . . 6895 1 371 . 1 1 61 61 ILE HB H 1 1.791 0.000 . 1 . . . . . . . . 6895 1 372 . 1 1 61 61 ILE HG12 H 1 0.872 0.009 . 2 . . . . . . . . 6895 1 373 . 1 1 61 61 ILE HG13 H 1 1.484 0.008 . 2 . . . . . . . . 6895 1 374 . 1 1 61 61 ILE H H 1 8.954 0.003 . 1 . . . . . . . . 6895 1 375 . 1 1 61 61 ILE N N 15 128.926 0.040 . 1 . . . . . . . . 6895 1 376 . 1 1 61 61 ILE HD11 H 1 0.685 0.002 . 1 . . . . . . . . 6895 1 377 . 1 1 61 61 ILE HD12 H 1 0.685 0.002 . 1 . . . . . . . . 6895 1 378 . 1 1 61 61 ILE HD13 H 1 0.685 0.002 . 1 . . . . . . . . 6895 1 379 . 1 1 61 61 ILE HG21 H 1 0.378 0.008 . 1 . . . . . . . . 6895 1 380 . 1 1 61 61 ILE HG22 H 1 0.378 0.008 . 1 . . . . . . . . 6895 1 381 . 1 1 61 61 ILE HG23 H 1 0.378 0.008 . 1 . . . . . . . . 6895 1 382 . 1 1 62 62 ILE CA C 13 57.271 0.156 . 1 . . . . . . . . 6895 1 383 . 1 1 62 62 ILE CB C 13 33.483 0.100 . 1 . . . . . . . . 6895 1 384 . 1 1 62 62 ILE CD1 C 13 9.512 0.142 . 1 . . . . . . . . 6895 1 385 . 1 1 62 62 ILE CG1 C 13 28.85 0.000 . 1 . . . . . . . . 6895 1 386 . 1 1 62 62 ILE CG2 C 13 17.95 0.145 . 1 . . . . . . . . 6895 1 387 . 1 1 62 62 ILE HA H 1 4.456 0.008 . 1 . . . . . . . . 6895 1 388 . 1 1 62 62 ILE HB H 1 0.846 0.000 . 1 . . . . . . . . 6895 1 389 . 1 1 62 62 ILE H H 1 7.347 0.010 . 1 . . . . . . . . 6895 1 390 . 1 1 62 62 ILE N N 15 125.748 0.028 . 1 . . . . . . . . 6895 1 391 . 1 1 62 62 ILE HD11 H 1 0.885 0.009 . 1 . . . . . . . . 6895 1 392 . 1 1 62 62 ILE HD12 H 1 0.885 0.009 . 1 . . . . . . . . 6895 1 393 . 1 1 62 62 ILE HD13 H 1 0.885 0.009 . 1 . . . . . . . . 6895 1 394 . 1 1 62 62 ILE HG12 H 1 1.352 0.008 . 2 . . . . . . . . 6895 1 395 . 1 1 62 62 ILE HG21 H 1 0.792 0.009 . 1 . . . . . . . . 6895 1 396 . 1 1 62 62 ILE HG22 H 1 0.792 0.009 . 1 . . . . . . . . 6895 1 397 . 1 1 62 62 ILE HG23 H 1 0.792 0.009 . 1 . . . . . . . . 6895 1 398 . 1 1 63 63 PHE CA C 13 55.777 0.013 . 1 . . . . . . . . 6895 1 399 . 1 1 63 63 PHE CB C 13 42.922 0.054 . 1 . . . . . . . . 6895 1 400 . 1 1 63 63 PHE HA H 1 4.964 0.006 . 1 . . . . . . . . 6895 1 401 . 1 1 63 63 PHE HB2 H 1 2.699 0.008 . 2 . . . . . . . . 6895 1 402 . 1 1 63 63 PHE HB3 H 1 2.92 0.004 . 2 . . . . . . . . 6895 1 403 . 1 1 63 63 PHE H H 1 8.622 0.004 . 1 . . . . . . . . 6895 1 404 . 1 1 63 63 PHE HZ H 1 7.223 0.003 . 1 . . . . . . . . 6895 1 405 . 1 1 63 63 PHE N N 15 124.963 0.062 . 1 . . . . . . . . 6895 1 406 . 1 1 63 63 PHE HD1 H 1 7.088 0.002 . 3 . . . . . . . . 6895 1 407 . 1 1 63 63 PHE HE1 H 1 7.166 0.003 . 3 . . . . . . . . 6895 1 408 . 1 1 64 64 ASN CA C 13 51.279 0.009 . 1 . . . . . . . . 6895 1 409 . 1 1 64 64 ASN CB C 13 38.391 0.096 . 1 . . . . . . . . 6895 1 410 . 1 1 64 64 ASN HA H 1 4.488 0.007 . 1 . . . . . . . . 6895 1 411 . 1 1 64 64 ASN HB2 H 1 2.929 0.005 . 2 . . . . . . . . 6895 1 412 . 1 1 64 64 ASN HB3 H 1 3.451 0.004 . 2 . . . . . . . . 6895 1 413 . 1 1 64 64 ASN HD21 H 1 7.731 0.000 . 2 . . . . . . . . 6895 1 414 . 1 1 64 64 ASN HD22 H 1 8.897 0.000 . 2 . . . . . . . . 6895 1 415 . 1 1 64 64 ASN H H 1 8.898 0.006 . 1 . . . . . . . . 6895 1 416 . 1 1 64 64 ASN N N 15 117.718 0.042 . 1 . . . . . . . . 6895 1 417 . 1 1 64 64 ASN ND2 N 15 115.1 0.012 . 1 . . . . . . . . 6895 1 418 . 1 1 65 65 GLU H H 1 9.508 0.000 . 1 . . . . . . . . 6895 1 419 . 1 1 65 65 GLU N N 15 119.175 0.000 . 1 . . . . . . . . 6895 1 420 . 1 1 66 66 ARG CA C 13 55.42 0.007 . 1 . . . . . . . . 6895 1 421 . 1 1 66 66 ARG CB C 13 30.595 0.072 . 1 . . . . . . . . 6895 1 422 . 1 1 66 66 ARG CD C 13 42.379 0.285 . 1 . . . . . . . . 6895 1 423 . 1 1 66 66 ARG CG C 13 27.137 0.112 . 1 . . . . . . . . 6895 1 424 . 1 1 66 66 ARG HA H 1 4.152 0.006 . 1 . . . . . . . . 6895 1 425 . 1 1 66 66 ARG HB2 H 1 1.523 0.015 . 2 . . . . . . . . 6895 1 426 . 1 1 66 66 ARG HB3 H 1 1.703 0.012 . 2 . . . . . . . . 6895 1 427 . 1 1 66 66 ARG HD2 H 1 3.019 0.018 . 2 . . . . . . . . 6895 1 428 . 1 1 66 66 ARG HD3 H 1 3.125 0.022 . 2 . . . . . . . . 6895 1 429 . 1 1 66 66 ARG H H 1 7.665 0.006 . 1 . . . . . . . . 6895 1 430 . 1 1 66 66 ARG N N 15 117.293 0.063 . 1 . . . . . . . . 6895 1 431 . 1 1 66 66 ARG HG2 H 1 1.547 0.020 . 2 . . . . . . . . 6895 1 432 . 1 1 67 67 GLY CA C 13 42.548 0.053 . 1 . . . . . . . . 6895 1 433 . 1 1 67 67 GLY HA2 H 1 3.632 0.012 . 2 . . . . . . . . 6895 1 434 . 1 1 67 67 GLY HA3 H 1 4.106 0.006 . 2 . . . . . . . . 6895 1 435 . 1 1 67 67 GLY H H 1 7.7 0.002 . 1 . . . . . . . . 6895 1 436 . 1 1 67 67 GLY N N 15 106.143 0.059 . 1 . . . . . . . . 6895 1 437 . 1 1 68 68 SER CA C 13 57.319 0.075 . 1 . . . . . . . . 6895 1 438 . 1 1 68 68 SER CB C 13 63.107 0.096 . 1 . . . . . . . . 6895 1 439 . 1 1 68 68 SER HA H 1 3.702 0.003 . 1 . . . . . . . . 6895 1 440 . 1 1 68 68 SER HB2 H 1 3.77 0.001 . 2 . . . . . . . . 6895 1 441 . 1 1 68 68 SER HB3 H 1 3.869 0.004 . 2 . . . . . . . . 6895 1 442 . 1 1 68 68 SER H H 1 7.99 0.001 . 1 . . . . . . . . 6895 1 443 . 1 1 68 68 SER N N 15 115.107 0.016 . 1 . . . . . . . . 6895 1 444 . 1 1 69 69 LYS CA C 13 56.71 0.069 . 1 . . . . . . . . 6895 1 445 . 1 1 69 69 LYS CB C 13 30.334 0.061 . 1 . . . . . . . . 6895 1 446 . 1 1 69 69 LYS CD C 13 30.223 0.000 . 1 . . . . . . . . 6895 1 447 . 1 1 69 69 LYS CG C 13 26.117 0.111 . 1 . . . . . . . . 6895 1 448 . 1 1 69 69 LYS HA H 1 3.979 0.010 . 1 . . . . . . . . 6895 1 449 . 1 1 69 69 LYS HB2 H 1 0.915 0.004 . 2 . . . . . . . . 6895 1 450 . 1 1 69 69 LYS HB3 H 1 1.725 0.005 . 2 . . . . . . . . 6895 1 451 . 1 1 69 69 LYS HD2 H 1 0.922 0.000 . 2 . . . . . . . . 6895 1 452 . 1 1 69 69 LYS HD3 H 1 1.734 0.000 . 2 . . . . . . . . 6895 1 453 . 1 1 69 69 LYS HG2 H 1 0.701 0.002 . 2 . . . . . . . . 6895 1 454 . 1 1 69 69 LYS HG3 H 1 1.243 0.001 . 2 . . . . . . . . 6895 1 455 . 1 1 69 69 LYS H H 1 9.331 0.004 . 1 . . . . . . . . 6895 1 456 . 1 1 69 69 LYS N N 15 123.792 0.024 . 1 . . . . . . . . 6895 1 457 . 1 1 70 70 GLY CA C 13 45.651 0.070 . 1 . . . . . . . . 6895 1 458 . 1 1 70 70 GLY HA2 H 1 3.302 0.010 . 2 . . . . . . . . 6895 1 459 . 1 1 70 70 GLY HA3 H 1 4.653 0.012 . 2 . . . . . . . . 6895 1 460 . 1 1 70 70 GLY H H 1 9.495 0.006 . 1 . . . . . . . . 6895 1 461 . 1 1 70 70 GLY N N 15 107.025 0.033 . 1 . . . . . . . . 6895 1 462 . 1 1 71 71 PHE CA C 13 54.658 0.350 . 1 . . . . . . . . 6895 1 463 . 1 1 71 71 PHE CB C 13 41.362 0.293 . 1 . . . . . . . . 6895 1 464 . 1 1 71 71 PHE HA H 1 5.254 0.012 . 1 . . . . . . . . 6895 1 465 . 1 1 71 71 PHE HB2 H 1 3.151 0.011 . 2 . . . . . . . . 6895 1 466 . 1 1 71 71 PHE HB3 H 1 3.438 0.012 . 2 . . . . . . . . 6895 1 467 . 1 1 71 71 PHE H H 1 7.315 0.013 . 1 . . . . . . . . 6895 1 468 . 1 1 71 71 PHE HZ H 1 7.425 0.010 . 1 . . . . . . . . 6895 1 469 . 1 1 71 71 PHE N N 15 113.024 0.044 . 1 . . . . . . . . 6895 1 470 . 1 1 71 71 PHE HD1 H 1 6.926 0.005 . 3 . . . . . . . . 6895 1 471 . 1 1 71 71 PHE HE1 H 1 7.366 0.006 . 3 . . . . . . . . 6895 1 472 . 1 1 72 72 GLY CA C 13 45.184 0.045 . 1 . . . . . . . . 6895 1 473 . 1 1 72 72 GLY HA2 H 1 3.865 0.005 . 2 . . . . . . . . 6895 1 474 . 1 1 72 72 GLY HA3 H 1 4.209 0.001 . 2 . . . . . . . . 6895 1 475 . 1 1 72 72 GLY H H 1 8.812 0.001 . 1 . . . . . . . . 6895 1 476 . 1 1 72 72 GLY N N 15 105.351 0.046 . 1 . . . . . . . . 6895 1 477 . 1 1 73 73 PHE CA C 13 55.467 0.017 . 1 . . . . . . . . 6895 1 478 . 1 1 73 73 PHE CB C 13 42.9 0.085 . 1 . . . . . . . . 6895 1 479 . 1 1 73 73 PHE HA H 1 5.734 0.009 . 1 . . . . . . . . 6895 1 480 . 1 1 73 73 PHE HB2 H 1 2.632 0.010 . 2 . . . . . . . . 6895 1 481 . 1 1 73 73 PHE HB3 H 1 2.984 0.007 . 2 . . . . . . . . 6895 1 482 . 1 1 73 73 PHE H H 1 8.922 0.011 . 1 . . . . . . . . 6895 1 483 . 1 1 73 73 PHE N N 15 116.575 0.082 . 1 . . . . . . . . 6895 1 484 . 1 1 73 73 PHE HD1 H 1 6.82 0.022 . 3 . . . . . . . . 6895 1 485 . 1 1 74 74 VAL CA C 13 59.404 0.009 . 1 . . . . . . . . 6895 1 486 . 1 1 74 74 VAL CB C 13 35.628 0.089 . 1 . . . . . . . . 6895 1 487 . 1 1 74 74 VAL CG1 C 13 19.933 0.059 . 2 . . . . . . . . 6895 1 488 . 1 1 74 74 VAL CG2 C 13 20.624 0.030 . 2 . . . . . . . . 6895 1 489 . 1 1 74 74 VAL HA H 1 4.732 0.003 . 1 . . . . . . . . 6895 1 490 . 1 1 74 74 VAL HB H 1 1.374 0.003 . 1 . . . . . . . . 6895 1 491 . 1 1 74 74 VAL H H 1 8.515 0.007 . 1 . . . . . . . . 6895 1 492 . 1 1 74 74 VAL N N 15 116.828 0.036 . 1 . . . . . . . . 6895 1 493 . 1 1 74 74 VAL HG11 H 1 0.231 0.008 . 2 . . . . . . . . 6895 1 494 . 1 1 74 74 VAL HG12 H 1 0.231 0.008 . 2 . . . . . . . . 6895 1 495 . 1 1 74 74 VAL HG13 H 1 0.231 0.008 . 2 . . . . . . . . 6895 1 496 . 1 1 74 74 VAL HG21 H 1 0.29 0.009 . 2 . . . . . . . . 6895 1 497 . 1 1 74 74 VAL HG22 H 1 0.29 0.009 . 2 . . . . . . . . 6895 1 498 . 1 1 74 74 VAL HG23 H 1 0.29 0.009 . 2 . . . . . . . . 6895 1 499 . 1 1 75 75 THR CA C 13 61.242 0.017 . 1 . . . . . . . . 6895 1 500 . 1 1 75 75 THR CB C 13 69.032 0.008 . 1 . . . . . . . . 6895 1 501 . 1 1 75 75 THR CG2 C 13 23.146 0.039 . 1 . . . . . . . . 6895 1 502 . 1 1 75 75 THR HA H 1 5.027 0.002 . 1 . . . . . . . . 6895 1 503 . 1 1 75 75 THR HB H 1 3.891 0.002 . 1 . . . . . . . . 6895 1 504 . 1 1 75 75 THR H H 1 9.081 0.012 . 1 . . . . . . . . 6895 1 505 . 1 1 75 75 THR N N 15 122.889 0.023 . 1 . . . . . . . . 6895 1 506 . 1 1 75 75 THR HG21 H 1 1.113 0.007 . 1 . . . . . . . . 6895 1 507 . 1 1 75 75 THR HG22 H 1 1.113 0.007 . 1 . . . . . . . . 6895 1 508 . 1 1 75 75 THR HG23 H 1 1.113 0.007 . 1 . . . . . . . . 6895 1 509 . 1 1 76 76 PHE CA C 13 57.236 0.025 . 1 . . . . . . . . 6895 1 510 . 1 1 76 76 PHE CB C 13 40.524 0.107 . 1 . . . . . . . . 6895 1 511 . 1 1 76 76 PHE HA H 1 4.816 0.006 . 1 . . . . . . . . 6895 1 512 . 1 1 76 76 PHE HB2 H 1 2.821 0.013 . 2 . . . . . . . . 6895 1 513 . 1 1 76 76 PHE HB3 H 1 3.641 0.011 . 2 . . . . . . . . 6895 1 514 . 1 1 76 76 PHE H H 1 9.203 0.009 . 1 . . . . . . . . 6895 1 515 . 1 1 76 76 PHE HZ H 1 7.624 0.001 . 1 . . . . . . . . 6895 1 516 . 1 1 76 76 PHE N N 15 128.773 0.131 . 1 . . . . . . . . 6895 1 517 . 1 1 76 76 PHE HD1 H 1 7.262 0.007 . 3 . . . . . . . . 6895 1 518 . 1 1 76 76 PHE HE1 H 1 7.169 0.003 . 3 . . . . . . . . 6895 1 519 . 1 1 77 77 GLU CA C 13 58.979 0.017 . 1 . . . . . . . . 6895 1 520 . 1 1 77 77 GLU CB C 13 30.023 0.003 . 1 . . . . . . . . 6895 1 521 . 1 1 77 77 GLU CG C 13 36.59 0.041 . 1 . . . . . . . . 6895 1 522 . 1 1 77 77 GLU HA H 1 3.817 0.003 . 1 . . . . . . . . 6895 1 523 . 1 1 77 77 GLU HB2 H 1 1.735 0.009 . 2 . . . . . . . . 6895 1 524 . 1 1 77 77 GLU HB3 H 1 2.19 0.012 . 2 . . . . . . . . 6895 1 525 . 1 1 77 77 GLU HG2 H 1 2.159 0.011 . 2 . . . . . . . . 6895 1 526 . 1 1 77 77 GLU HG3 H 1 2.211 0.002 . 2 . . . . . . . . 6895 1 527 . 1 1 77 77 GLU H H 1 7.961 0.012 . 1 . . . . . . . . 6895 1 528 . 1 1 77 77 GLU N N 15 121.302 0.026 . 1 . . . . . . . . 6895 1 529 . 1 1 78 78 ASN CA C 13 50.886 0.033 . 1 . . . . . . . . 6895 1 530 . 1 1 78 78 ASN CB C 13 40.062 0.028 . 1 . . . . . . . . 6895 1 531 . 1 1 78 78 ASN HA H 1 5.022 0.007 . 1 . . . . . . . . 6895 1 532 . 1 1 78 78 ASN HB2 H 1 2.791 0.014 . 2 . . . . . . . . 6895 1 533 . 1 1 78 78 ASN HB3 H 1 2.966 0.015 . 2 . . . . . . . . 6895 1 534 . 1 1 78 78 ASN HD21 H 1 7.06 0.010 . 2 . . . . . . . . 6895 1 535 . 1 1 78 78 ASN HD22 H 1 7.583 0.011 . 2 . . . . . . . . 6895 1 536 . 1 1 78 78 ASN H H 1 9.261 0.000 . 1 . . . . . . . . 6895 1 537 . 1 1 78 78 ASN N N 15 113.976 0.049 . 1 . . . . . . . . 6895 1 538 . 1 1 78 78 ASN ND2 N 15 114.319 0.011 . 1 . . . . . . . . 6895 1 539 . 1 1 79 79 SER CA C 13 60.696 0.231 . 1 . . . . . . . . 6895 1 540 . 1 1 79 79 SER CB C 13 62.39 0.110 . 1 . . . . . . . . 6895 1 541 . 1 1 79 79 SER HA H 1 4.474 0.002 . 1 . . . . . . . . 6895 1 542 . 1 1 79 79 SER H H 1 8.772 0.009 . 1 . . . . . . . . 6895 1 543 . 1 1 79 79 SER N N 15 122.363 0.024 . 1 . . . . . . . . 6895 1 544 . 1 1 79 79 SER HB2 H 1 3.949 0.008 . 2 . . . . . . . . 6895 1 545 . 1 1 80 80 ALA CA C 13 54.374 0.039 . 1 . . . . . . . . 6895 1 546 . 1 1 80 80 ALA CB C 13 17.502 0.026 . 1 . . . . . . . . 6895 1 547 . 1 1 80 80 ALA HA H 1 4.153 0.005 . 1 . . . . . . . . 6895 1 548 . 1 1 80 80 ALA H H 1 8.292 0.010 . 1 . . . . . . . . 6895 1 549 . 1 1 80 80 ALA N N 15 123.241 0.000 . 1 . . . . . . . . 6895 1 550 . 1 1 80 80 ALA HB1 H 1 1.426 0.006 . 1 . . . . . . . . 6895 1 551 . 1 1 80 80 ALA HB2 H 1 1.426 0.006 . 1 . . . . . . . . 6895 1 552 . 1 1 80 80 ALA HB3 H 1 1.426 0.006 . 1 . . . . . . . . 6895 1 553 . 1 1 81 81 ASP CA C 13 56.078 0.044 . 1 . . . . . . . . 6895 1 554 . 1 1 81 81 ASP CB C 13 39.77 0.017 . 1 . . . . . . . . 6895 1 555 . 1 1 81 81 ASP HA H 1 4.327 0.004 . 1 . . . . . . . . 6895 1 556 . 1 1 81 81 ASP HB2 H 1 2.738 0.017 . 2 . . . . . . . . 6895 1 557 . 1 1 81 81 ASP HB3 H 1 2.972 0.006 . 2 . . . . . . . . 6895 1 558 . 1 1 81 81 ASP H H 1 7.292 0.004 . 1 . . . . . . . . 6895 1 559 . 1 1 81 81 ASP N N 15 119.388 0.039 . 1 . . . . . . . . 6895 1 560 . 1 1 82 82 ALA CA C 13 53.31 0.051 . 1 . . . . . . . . 6895 1 561 . 1 1 82 82 ALA CB C 13 17.65 0.164 . 1 . . . . . . . . 6895 1 562 . 1 1 82 82 ALA HA H 1 2.828 0.001 . 1 . . . . . . . . 6895 1 563 . 1 1 82 82 ALA H H 1 6.771 0.006 . 1 . . . . . . . . 6895 1 564 . 1 1 82 82 ALA N N 15 120.875 0.050 . 1 . . . . . . . . 6895 1 565 . 1 1 82 82 ALA HB1 H 1 1.303 0.004 . 1 . . . . . . . . 6895 1 566 . 1 1 82 82 ALA HB2 H 1 1.303 0.004 . 1 . . . . . . . . 6895 1 567 . 1 1 82 82 ALA HB3 H 1 1.303 0.004 . 1 . . . . . . . . 6895 1 568 . 1 1 83 83 ASP CA C 13 56.635 0.012 . 1 . . . . . . . . 6895 1 569 . 1 1 83 83 ASP CB C 13 39.056 0.012 . 1 . . . . . . . . 6895 1 570 . 1 1 83 83 ASP HA H 1 4.248 0.029 . 1 . . . . . . . . 6895 1 571 . 1 1 83 83 ASP H H 1 7.939 0.010 . 1 . . . . . . . . 6895 1 572 . 1 1 83 83 ASP N N 15 117.302 0.013 . 1 . . . . . . . . 6895 1 573 . 1 1 83 83 ASP HB2 H 1 2.603 0.003 . 2 . . . . . . . . 6895 1 574 . 1 1 84 84 ARG CA C 13 58.619 0.075 . 1 . . . . . . . . 6895 1 575 . 1 1 84 84 ARG CB C 13 29.856 0.128 . 1 . . . . . . . . 6895 1 576 . 1 1 84 84 ARG HA H 1 3.966 0.010 . 1 . . . . . . . . 6895 1 577 . 1 1 84 84 ARG HB2 H 1 1.898 0.011 . 2 . . . . . . . . 6895 1 578 . 1 1 84 84 ARG HB3 H 1 2.024 0.015 . 2 . . . . . . . . 6895 1 579 . 1 1 84 84 ARG H H 1 7.488 0.014 . 1 . . . . . . . . 6895 1 580 . 1 1 84 84 ARG N N 15 121.348 0.094 . 1 . . . . . . . . 6895 1 581 . 1 1 85 85 ALA CA C 13 53.611 0.008 . 1 . . . . . . . . 6895 1 582 . 1 1 85 85 ALA CB C 13 18.695 0.148 . 1 . . . . . . . . 6895 1 583 . 1 1 85 85 ALA HA H 1 2.221 0.003 . 1 . . . . . . . . 6895 1 584 . 1 1 85 85 ALA H H 1 7.792 0.002 . 1 . . . . . . . . 6895 1 585 . 1 1 85 85 ALA N N 15 121.442 0.083 . 1 . . . . . . . . 6895 1 586 . 1 1 85 85 ALA HB1 H 1 1.092 0.001 . 1 . . . . . . . . 6895 1 587 . 1 1 85 85 ALA HB2 H 1 1.092 0.001 . 1 . . . . . . . . 6895 1 588 . 1 1 85 85 ALA HB3 H 1 1.092 0.001 . 1 . . . . . . . . 6895 1 589 . 1 1 86 86 ARG CA C 13 59.707 0.001 . 1 . . . . . . . . 6895 1 590 . 1 1 86 86 ARG CB C 13 29.113 0.066 . 1 . . . . . . . . 6895 1 591 . 1 1 86 86 ARG CD C 13 42.807 0.087 . 1 . . . . . . . . 6895 1 592 . 1 1 86 86 ARG CG C 13 26.042 0.002 . 1 . . . . . . . . 6895 1 593 . 1 1 86 86 ARG HA H 1 3.601 0.005 . 1 . . . . . . . . 6895 1 594 . 1 1 86 86 ARG HB2 H 1 1.638 0.001 . 2 . . . . . . . . 6895 1 595 . 1 1 86 86 ARG HB3 H 1 1.934 0.004 . 2 . . . . . . . . 6895 1 596 . 1 1 86 86 ARG H H 1 8.206 0.010 . 1 . . . . . . . . 6895 1 597 . 1 1 86 86 ARG N N 15 116.958 0.055 . 1 . . . . . . . . 6895 1 598 . 1 1 86 86 ARG HD2 H 1 2.974 0.007 . 2 . . . . . . . . 6895 1 599 . 1 1 86 86 ARG HG2 H 1 1.406 0.007 . 2 . . . . . . . . 6895 1 600 . 1 1 87 87 GLU CA C 13 58.313 0.003 . 1 . . . . . . . . 6895 1 601 . 1 1 87 87 GLU CB C 13 29.02 0.006 . 1 . . . . . . . . 6895 1 602 . 1 1 87 87 GLU CG C 13 35.537 0.052 . 1 . . . . . . . . 6895 1 603 . 1 1 87 87 GLU HA H 1 3.912 0.008 . 1 . . . . . . . . 6895 1 604 . 1 1 87 87 GLU HB2 H 1 2.034 0.003 . 2 . . . . . . . . 6895 1 605 . 1 1 87 87 GLU HB3 H 1 2.064 0.000 . 2 . . . . . . . . 6895 1 606 . 1 1 87 87 GLU HG2 H 1 2.198 0.003 . 2 . . . . . . . . 6895 1 607 . 1 1 87 87 GLU HG3 H 1 2.332 0.006 . 2 . . . . . . . . 6895 1 608 . 1 1 87 87 GLU H H 1 7.672 0.009 . 1 . . . . . . . . 6895 1 609 . 1 1 87 87 GLU N N 15 116.406 0.032 . 1 . . . . . . . . 6895 1 610 . 1 1 88 88 LYS CA C 13 56.042 0.023 . 1 . . . . . . . . 6895 1 611 . 1 1 88 88 LYS CB C 13 32.106 0.015 . 1 . . . . . . . . 6895 1 612 . 1 1 88 88 LYS CD C 13 29.192 0.163 . 1 . . . . . . . . 6895 1 613 . 1 1 88 88 LYS CG C 13 24.133 0.063 . 1 . . . . . . . . 6895 1 614 . 1 1 88 88 LYS HA H 1 4.214 0.002 . 1 . . . . . . . . 6895 1 615 . 1 1 88 88 LYS HG2 H 1 1.486 0.002 . 2 . . . . . . . . 6895 1 616 . 1 1 88 88 LYS HG3 H 1 1.582 0.006 . 2 . . . . . . . . 6895 1 617 . 1 1 88 88 LYS H H 1 7.704 0.006 . 1 . . . . . . . . 6895 1 618 . 1 1 88 88 LYS N N 15 115.358 0.058 . 1 . . . . . . . . 6895 1 619 . 1 1 88 88 LYS HB2 H 1 1.719 0.000 . 2 . . . . . . . . 6895 1 620 . 1 1 88 88 LYS HD2 H 1 2.038 0.009 . 2 . . . . . . . . 6895 1 621 . 1 1 89 89 LEU CA C 13 54.518 0.094 . 1 . . . . . . . . 6895 1 622 . 1 1 89 89 LEU CB C 13 42.975 0.008 . 1 . . . . . . . . 6895 1 623 . 1 1 89 89 LEU CD1 C 13 25.276 0.094 . 2 . . . . . . . . 6895 1 624 . 1 1 89 89 LEU CD2 C 13 21.495 0.110 . 2 . . . . . . . . 6895 1 625 . 1 1 89 89 LEU CG C 13 26.744 0.000 . 1 . . . . . . . . 6895 1 626 . 1 1 89 89 LEU HA H 1 4.411 0.006 . 1 . . . . . . . . 6895 1 627 . 1 1 89 89 LEU HB2 H 1 1.028 0.009 . 2 . . . . . . . . 6895 1 628 . 1 1 89 89 LEU HB3 H 1 1.684 0.004 . 2 . . . . . . . . 6895 1 629 . 1 1 89 89 LEU HG H 1 1.424 0.000 . 1 . . . . . . . . 6895 1 630 . 1 1 89 89 LEU H H 1 8.181 0.006 . 1 . . . . . . . . 6895 1 631 . 1 1 89 89 LEU N N 15 115.282 0.048 . 1 . . . . . . . . 6895 1 632 . 1 1 89 89 LEU HD11 H 1 0.091 0.004 . 2 . . . . . . . . 6895 1 633 . 1 1 89 89 LEU HD12 H 1 0.091 0.004 . 2 . . . . . . . . 6895 1 634 . 1 1 89 89 LEU HD13 H 1 0.091 0.004 . 2 . . . . . . . . 6895 1 635 . 1 1 89 89 LEU HD21 H 1 0.734 0.002 . 2 . . . . . . . . 6895 1 636 . 1 1 89 89 LEU HD22 H 1 0.734 0.002 . 2 . . . . . . . . 6895 1 637 . 1 1 89 89 LEU HD23 H 1 0.734 0.002 . 2 . . . . . . . . 6895 1 638 . 1 1 90 90 HIS CA C 13 59.716 0.019 . 1 . . . . . . . . 6895 1 639 . 1 1 90 90 HIS CB C 13 30.446 0.071 . 1 . . . . . . . . 6895 1 640 . 1 1 90 90 HIS HA H 1 4.116 0.008 . 1 . . . . . . . . 6895 1 641 . 1 1 90 90 HIS HB2 H 1 3.127 0.002 . 2 . . . . . . . . 6895 1 642 . 1 1 90 90 HIS HB3 H 1 3.297 0.002 . 2 . . . . . . . . 6895 1 643 . 1 1 90 90 HIS HD2 H 1 6.902 0.001 . 1 . . . . . . . . 6895 1 644 . 1 1 90 90 HIS HE1 H 1 7.704 0.000 . 1 . . . . . . . . 6895 1 645 . 1 1 90 90 HIS H H 1 8.082 0.002 . 1 . . . . . . . . 6895 1 646 . 1 1 90 90 HIS N N 15 120.627 0.031 . 1 . . . . . . . . 6895 1 647 . 1 1 91 91 GLY CA C 13 44.749 0.036 . 1 . . . . . . . . 6895 1 648 . 1 1 91 91 GLY HA2 H 1 3.247 0.003 . 2 . . . . . . . . 6895 1 649 . 1 1 91 91 GLY HA3 H 1 3.867 0.004 . 2 . . . . . . . . 6895 1 650 . 1 1 91 91 GLY H H 1 8.062 0.003 . 1 . . . . . . . . 6895 1 651 . 1 1 91 91 GLY N N 15 115.925 0.041 . 1 . . . . . . . . 6895 1 652 . 1 1 92 92 THR CA C 13 61.562 0.020 . 1 . . . . . . . . 6895 1 653 . 1 1 92 92 THR CB C 13 69.412 0.345 . 1 . . . . . . . . 6895 1 654 . 1 1 92 92 THR CG2 C 13 21.405 0.017 . 1 . . . . . . . . 6895 1 655 . 1 1 92 92 THR HA H 1 4.219 0.010 . 1 . . . . . . . . 6895 1 656 . 1 1 92 92 THR HB H 1 4.081 0.005 . 1 . . . . . . . . 6895 1 657 . 1 1 92 92 THR H H 1 7.539 0.011 . 1 . . . . . . . . 6895 1 658 . 1 1 92 92 THR N N 15 113.161 0.007 . 1 . . . . . . . . 6895 1 659 . 1 1 92 92 THR HG21 H 1 1.181 0.003 . 1 . . . . . . . . 6895 1 660 . 1 1 92 92 THR HG22 H 1 1.181 0.003 . 1 . . . . . . . . 6895 1 661 . 1 1 92 92 THR HG23 H 1 1.181 0.003 . 1 . . . . . . . . 6895 1 662 . 1 1 93 93 VAL CA C 13 61.17 0.029 . 1 . . . . . . . . 6895 1 663 . 1 1 93 93 VAL CB C 13 31.098 0.043 . 1 . . . . . . . . 6895 1 664 . 1 1 93 93 VAL CG1 C 13 20.309 0.010 . 2 . . . . . . . . 6895 1 665 . 1 1 93 93 VAL CG2 C 13 20.664 0.093 . 2 . . . . . . . . 6895 1 666 . 1 1 93 93 VAL HA H 1 4.471 0.010 . 1 . . . . . . . . 6895 1 667 . 1 1 93 93 VAL HB H 1 1.8 0.003 . 1 . . . . . . . . 6895 1 668 . 1 1 93 93 VAL H H 1 8.149 0.007 . 1 . . . . . . . . 6895 1 669 . 1 1 93 93 VAL N N 15 121.485 0.119 . 1 . . . . . . . . 6895 1 670 . 1 1 93 93 VAL HG11 H 1 0.562 0.011 . 2 . . . . . . . . 6895 1 671 . 1 1 93 93 VAL HG12 H 1 0.562 0.011 . 2 . . . . . . . . 6895 1 672 . 1 1 93 93 VAL HG13 H 1 0.562 0.011 . 2 . . . . . . . . 6895 1 673 . 1 1 93 93 VAL HG21 H 1 0.75 0.024 . 2 . . . . . . . . 6895 1 674 . 1 1 93 93 VAL HG22 H 1 0.75 0.024 . 2 . . . . . . . . 6895 1 675 . 1 1 93 93 VAL HG23 H 1 0.75 0.024 . 2 . . . . . . . . 6895 1 676 . 1 1 94 94 VAL CA C 13 60.47 0.041 . 1 . . . . . . . . 6895 1 677 . 1 1 94 94 VAL CB C 13 33.386 0.004 . 1 . . . . . . . . 6895 1 678 . 1 1 94 94 VAL CG1 C 13 20.907 0.544 . 2 . . . . . . . . 6895 1 679 . 1 1 94 94 VAL CG2 C 13 21.315 0.000 . 2 . . . . . . . . 6895 1 680 . 1 1 94 94 VAL HA H 1 4.164 0.002 . 1 . . . . . . . . 6895 1 681 . 1 1 94 94 VAL HB H 1 1.782 0.002 . 1 . . . . . . . . 6895 1 682 . 1 1 94 94 VAL H H 1 9.049 0.012 . 1 . . . . . . . . 6895 1 683 . 1 1 94 94 VAL N N 15 129.736 0.045 . 1 . . . . . . . . 6895 1 684 . 1 1 94 94 VAL HG11 H 1 0.86 0.039 . 2 . . . . . . . . 6895 1 685 . 1 1 94 94 VAL HG12 H 1 0.86 0.039 . 2 . . . . . . . . 6895 1 686 . 1 1 94 94 VAL HG13 H 1 0.86 0.039 . 2 . . . . . . . . 6895 1 687 . 1 1 94 94 VAL HG21 H 1 0.888 0.000 . 2 . . . . . . . . 6895 1 688 . 1 1 94 94 VAL HG22 H 1 0.888 0.000 . 2 . . . . . . . . 6895 1 689 . 1 1 94 94 VAL HG23 H 1 0.888 0.000 . 2 . . . . . . . . 6895 1 690 . 1 1 95 95 GLU CA C 13 56.376 0.033 . 1 . . . . . . . . 6895 1 691 . 1 1 95 95 GLU CB C 13 26.515 0.053 . 1 . . . . . . . . 6895 1 692 . 1 1 95 95 GLU CG C 13 36.262 0.081 . 1 . . . . . . . . 6895 1 693 . 1 1 95 95 GLU HA H 1 3.711 0.004 . 1 . . . . . . . . 6895 1 694 . 1 1 95 95 GLU HB2 H 1 1.817 0.002 . 2 . . . . . . . . 6895 1 695 . 1 1 95 95 GLU HB3 H 1 2.109 0.006 . 2 . . . . . . . . 6895 1 696 . 1 1 95 95 GLU H H 1 9.204 0.004 . 1 . . . . . . . . 6895 1 697 . 1 1 95 95 GLU N N 15 125.744 0.066 . 1 . . . . . . . . 6895 1 698 . 1 1 95 95 GLU HG2 H 1 2.265 0.001 . 2 . . . . . . . . 6895 1 699 . 1 1 96 96 GLY CA C 13 44.558 0.008 . 1 . . . . . . . . 6895 1 700 . 1 1 96 96 GLY HA2 H 1 3.351 0.002 . 2 . . . . . . . . 6895 1 701 . 1 1 96 96 GLY HA3 H 1 4.028 0.001 . 2 . . . . . . . . 6895 1 702 . 1 1 96 96 GLY H H 1 7.911 0.000 . 1 . . . . . . . . 6895 1 703 . 1 1 96 96 GLY N N 15 101.991 0.044 . 1 . . . . . . . . 6895 1 704 . 1 1 97 97 ARG CA C 13 54.128 0.008 . 1 . . . . . . . . 6895 1 705 . 1 1 97 97 ARG CB C 13 30.785 0.306 . 1 . . . . . . . . 6895 1 706 . 1 1 97 97 ARG CD C 13 41.198 0.000 . 1 . . . . . . . . 6895 1 707 . 1 1 97 97 ARG CG C 13 26.704 0.176 . 1 . . . . . . . . 6895 1 708 . 1 1 97 97 ARG HA H 1 4.281 0.003 . 1 . . . . . . . . 6895 1 709 . 1 1 97 97 ARG HB2 H 1 1.621 0.005 . 2 . . . . . . . . 6895 1 710 . 1 1 97 97 ARG HB3 H 1 1.659 0.005 . 2 . . . . . . . . 6895 1 711 . 1 1 97 97 ARG HG2 H 1 1.281 0.278 . 2 . . . . . . . . 6895 1 712 . 1 1 97 97 ARG HG3 H 1 1.394 0.113 . 2 . . . . . . . . 6895 1 713 . 1 1 97 97 ARG H H 1 7.794 0.007 . 1 . . . . . . . . 6895 1 714 . 1 1 97 97 ARG N N 15 120.695 0.058 . 1 . . . . . . . . 6895 1 715 . 1 1 97 97 ARG HD2 H 1 2.822 0.000 . 2 . . . . . . . . 6895 1 716 . 1 1 98 98 LYS CA C 13 55.244 0.004 . 1 . . . . . . . . 6895 1 717 . 1 1 98 98 LYS CB C 13 31.485 0.159 . 1 . . . . . . . . 6895 1 718 . 1 1 98 98 LYS CD C 13 32.556 0.017 . 1 . . . . . . . . 6895 1 719 . 1 1 98 98 LYS CE C 13 40.948 0.000 . 1 . . . . . . . . 6895 1 720 . 1 1 98 98 LYS CG C 13 24.409 0.017 . 1 . . . . . . . . 6895 1 721 . 1 1 98 98 LYS HA H 1 4.418 0.010 . 1 . . . . . . . . 6895 1 722 . 1 1 98 98 LYS HB2 H 1 1.409 0.015 . 2 . . . . . . . . 6895 1 723 . 1 1 98 98 LYS HB3 H 1 1.552 0.013 . 2 . . . . . . . . 6895 1 724 . 1 1 98 98 LYS HD2 H 1 1.934 0.000 . 2 . . . . . . . . 6895 1 725 . 1 1 98 98 LYS HD3 H 1 2.059 0.000 . 2 . . . . . . . . 6895 1 726 . 1 1 98 98 LYS HG2 H 1 1.014 0.000 . 2 . . . . . . . . 6895 1 727 . 1 1 98 98 LYS HG3 H 1 1.102 0.000 . 2 . . . . . . . . 6895 1 728 . 1 1 98 98 LYS H H 1 8.302 0.002 . 1 . . . . . . . . 6895 1 729 . 1 1 98 98 LYS N N 15 123.928 0.028 . 1 . . . . . . . . 6895 1 730 . 1 1 98 98 LYS HE2 H 1 2.833 0.000 . 2 . . . . . . . . 6895 1 731 . 1 1 99 99 ILE CA C 13 60.378 0.120 . 1 . . . . . . . . 6895 1 732 . 1 1 99 99 ILE CB C 13 38.46 0.026 . 1 . . . . . . . . 6895 1 733 . 1 1 99 99 ILE CD1 C 13 13.069 0.092 . 1 . . . . . . . . 6895 1 734 . 1 1 99 99 ILE CG1 C 13 25.176 0.000 . 1 . . . . . . . . 6895 1 735 . 1 1 99 99 ILE CG2 C 13 17.175 0.026 . 1 . . . . . . . . 6895 1 736 . 1 1 99 99 ILE HA H 1 4.475 0.004 . 1 . . . . . . . . 6895 1 737 . 1 1 99 99 ILE HB H 1 1.807 0.007 . 1 . . . . . . . . 6895 1 738 . 1 1 99 99 ILE HG12 H 1 1.228 0.002 . 2 . . . . . . . . 6895 1 739 . 1 1 99 99 ILE HG13 H 1 1.413 0.001 . 2 . . . . . . . . 6895 1 740 . 1 1 99 99 ILE H H 1 8.803 0.006 . 1 . . . . . . . . 6895 1 741 . 1 1 99 99 ILE N N 15 126.375 0.047 . 1 . . . . . . . . 6895 1 742 . 1 1 99 99 ILE HD11 H 1 0.559 0.004 . 1 . . . . . . . . 6895 1 743 . 1 1 99 99 ILE HD12 H 1 0.559 0.004 . 1 . . . . . . . . 6895 1 744 . 1 1 99 99 ILE HD13 H 1 0.559 0.004 . 1 . . . . . . . . 6895 1 745 . 1 1 99 99 ILE HG21 H 1 0.685 0.004 . 1 . . . . . . . . 6895 1 746 . 1 1 99 99 ILE HG22 H 1 0.685 0.004 . 1 . . . . . . . . 6895 1 747 . 1 1 99 99 ILE HG23 H 1 0.685 0.004 . 1 . . . . . . . . 6895 1 748 . 1 1 100 100 GLU CA C 13 52.876 0.012 . 1 . . . . . . . . 6895 1 749 . 1 1 100 100 GLU CB C 13 31.993 0.007 . 1 . . . . . . . . 6895 1 750 . 1 1 100 100 GLU CG C 13 35.133 0.012 . 1 . . . . . . . . 6895 1 751 . 1 1 100 100 GLU HA H 1 5.073 0.011 . 1 . . . . . . . . 6895 1 752 . 1 1 100 100 GLU HB2 H 1 1.642 0.004 . 2 . . . . . . . . 6895 1 753 . 1 1 100 100 GLU HB3 H 1 1.907 0.004 . 2 . . . . . . . . 6895 1 754 . 1 1 100 100 GLU H H 1 7.899 0.007 . 1 . . . . . . . . 6895 1 755 . 1 1 100 100 GLU N N 15 121.704 0.048 . 1 . . . . . . . . 6895 1 756 . 1 1 100 100 GLU HG2 H 1 2.016 0.006 . 2 . . . . . . . . 6895 1 757 . 1 1 101 101 VAL CA C 13 60.873 0.015 . 1 . . . . . . . . 6895 1 758 . 1 1 101 101 VAL CB C 13 33.517 0.000 . 1 . . . . . . . . 6895 1 759 . 1 1 101 101 VAL CG1 C 13 20.974 0.044 . 2 . . . . . . . . 6895 1 760 . 1 1 101 101 VAL CG2 C 13 23.824 0.032 . 2 . . . . . . . . 6895 1 761 . 1 1 101 101 VAL HA H 1 5.013 0.006 . 1 . . . . . . . . 6895 1 762 . 1 1 101 101 VAL HB H 1 2.183 0.000 . 1 . . . . . . . . 6895 1 763 . 1 1 101 101 VAL H H 1 11.389 0.002 . 1 . . . . . . . . 6895 1 764 . 1 1 101 101 VAL N N 15 127.317 0.047 . 1 . . . . . . . . 6895 1 765 . 1 1 101 101 VAL HG11 H 1 0.976 0.003 . 2 . . . . . . . . 6895 1 766 . 1 1 101 101 VAL HG12 H 1 0.976 0.003 . 2 . . . . . . . . 6895 1 767 . 1 1 101 101 VAL HG13 H 1 0.976 0.003 . 2 . . . . . . . . 6895 1 768 . 1 1 101 101 VAL HG21 H 1 1 0.002 . 2 . . . . . . . . 6895 1 769 . 1 1 101 101 VAL HG22 H 1 1 0.002 . 2 . . . . . . . . 6895 1 770 . 1 1 101 101 VAL HG23 H 1 1 0.002 . 2 . . . . . . . . 6895 1 771 . 1 1 102 102 ASN CA C 13 50.478 0.021 . 1 . . . . . . . . 6895 1 772 . 1 1 102 102 ASN CB C 13 43.791 0.053 . 1 . . . . . . . . 6895 1 773 . 1 1 102 102 ASN HA H 1 4.97 0.009 . 1 . . . . . . . . 6895 1 774 . 1 1 102 102 ASN HB2 H 1 2.658 0.009 . 2 . . . . . . . . 6895 1 775 . 1 1 102 102 ASN HB3 H 1 3.006 0.010 . 2 . . . . . . . . 6895 1 776 . 1 1 102 102 ASN HD21 H 1 7.097 0.007 . 2 . . . . . . . . 6895 1 777 . 1 1 102 102 ASN HD22 H 1 8.931 0.004 . 2 . . . . . . . . 6895 1 778 . 1 1 102 102 ASN H H 1 9.517 0.022 . 1 . . . . . . . . 6895 1 779 . 1 1 102 102 ASN N N 15 124.427 0.053 . 1 . . . . . . . . 6895 1 780 . 1 1 102 102 ASN ND2 N 15 118.3 0.003 . 1 . . . . . . . . 6895 1 781 . 1 1 103 103 ASN CA C 13 54.309 0.016 . 1 . . . . . . . . 6895 1 782 . 1 1 103 103 ASN CB C 13 37.549 0.047 . 1 . . . . . . . . 6895 1 783 . 1 1 103 103 ASN HA H 1 4.832 0.005 . 1 . . . . . . . . 6895 1 784 . 1 1 103 103 ASN HB2 H 1 2.682 0.003 . 2 . . . . . . . . 6895 1 785 . 1 1 103 103 ASN HB3 H 1 2.861 0.007 . 2 . . . . . . . . 6895 1 786 . 1 1 103 103 ASN HD21 H 1 6.822 0.000 . 2 . . . . . . . . 6895 1 787 . 1 1 103 103 ASN HD22 H 1 7.46 0.000 . 2 . . . . . . . . 6895 1 788 . 1 1 103 103 ASN H H 1 8.922 0.001 . 1 . . . . . . . . 6895 1 789 . 1 1 103 103 ASN N N 15 119.225 0.014 . 1 . . . . . . . . 6895 1 790 . 1 1 103 103 ASN ND2 N 15 111.434 0.034 . 1 . . . . . . . . 6895 1 791 . 1 1 104 104 ALA CA C 13 51.49 0.146 . 1 . . . . . . . . 6895 1 792 . 1 1 104 104 ALA CB C 13 18.597 0.144 . 1 . . . . . . . . 6895 1 793 . 1 1 104 104 ALA HA H 1 5.153 0.011 . 1 . . . . . . . . 6895 1 794 . 1 1 104 104 ALA H H 1 8.482 0.003 . 1 . . . . . . . . 6895 1 795 . 1 1 104 104 ALA N N 15 125.678 0.022 . 1 . . . . . . . . 6895 1 796 . 1 1 104 104 ALA HB1 H 1 1.485 0.002 . 1 . . . . . . . . 6895 1 797 . 1 1 104 104 ALA HB2 H 1 1.485 0.002 . 1 . . . . . . . . 6895 1 798 . 1 1 104 104 ALA HB3 H 1 1.485 0.002 . 1 . . . . . . . . 6895 1 799 . 1 1 105 105 THR CA C 13 59.842 0.007 . 1 . . . . . . . . 6895 1 800 . 1 1 105 105 THR CB C 13 69.152 0.350 . 1 . . . . . . . . 6895 1 801 . 1 1 105 105 THR CG2 C 13 21.676 0.229 . 1 . . . . . . . . 6895 1 802 . 1 1 105 105 THR HA H 1 4.263 0.008 . 1 . . . . . . . . 6895 1 803 . 1 1 105 105 THR HB H 1 4.236 0.003 . 1 . . . . . . . . 6895 1 804 . 1 1 105 105 THR H H 1 8.58 0.004 . 1 . . . . . . . . 6895 1 805 . 1 1 105 105 THR N N 15 117.274 0.082 . 1 . . . . . . . . 6895 1 806 . 1 1 105 105 THR HG21 H 1 1.08 0.010 . 1 . . . . . . . . 6895 1 807 . 1 1 105 105 THR HG22 H 1 1.08 0.010 . 1 . . . . . . . . 6895 1 808 . 1 1 105 105 THR HG23 H 1 1.08 0.010 . 1 . . . . . . . . 6895 1 809 . 1 1 106 106 ALA CA C 13 51.988 0.125 . 1 . . . . . . . . 6895 1 810 . 1 1 106 106 ALA CB C 13 18.152 0.066 . 1 . . . . . . . . 6895 1 811 . 1 1 106 106 ALA HA H 1 4.237 0.016 . 1 . . . . . . . . 6895 1 812 . 1 1 106 106 ALA H H 1 8.593 0.007 . 1 . . . . . . . . 6895 1 813 . 1 1 106 106 ALA N N 15 126.873 0.049 . 1 . . . . . . . . 6895 1 814 . 1 1 106 106 ALA HB1 H 1 1.299 0.004 . 1 . . . . . . . . 6895 1 815 . 1 1 106 106 ALA HB2 H 1 1.299 0.004 . 1 . . . . . . . . 6895 1 816 . 1 1 106 106 ALA HB3 H 1 1.299 0.004 . 1 . . . . . . . . 6895 1 817 . 1 1 107 107 ARG CA C 13 55.342 0.000 . 1 . . . . . . . . 6895 1 818 . 1 1 107 107 ARG CB C 13 30.297 0.091 . 1 . . . . . . . . 6895 1 819 . 1 1 107 107 ARG CD C 13 42.941 0.001 . 1 . . . . . . . . 6895 1 820 . 1 1 107 107 ARG CG C 13 26.838 0.002 . 1 . . . . . . . . 6895 1 821 . 1 1 107 107 ARG HA H 1 4.044 0.007 . 1 . . . . . . . . 6895 1 822 . 1 1 107 107 ARG HB2 H 1 1.197 0.005 . 2 . . . . . . . . 6895 1 823 . 1 1 107 107 ARG HB3 H 1 1.405 0.003 . 2 . . . . . . . . 6895 1 824 . 1 1 107 107 ARG H H 1 8.174 0.017 . 1 . . . . . . . . 6895 1 825 . 1 1 107 107 ARG N N 15 121.432 0.000 . 1 . . . . . . . . 6895 1 826 . 1 1 107 107 ARG HD2 H 1 2.589 0.004 . 2 . . . . . . . . 6895 1 827 . 1 1 107 107 ARG HG2 H 1 1.045 0.003 . 2 . . . . . . . . 6895 1 828 . 1 1 108 108 VAL H H 1 8.387 0.000 . 1 . . . . . . . . 6895 1 829 . 1 1 108 108 VAL N N 15 123.425 0.000 . 1 . . . . . . . . 6895 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 6895 _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 . 6895 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 U H1' H 1 5.251 0.005 . 1 . . . . . . . . 6895 2 2 . 2 2 1 1 U H2' H 1 4.273 0.005 . 1 . . . . . . . . 6895 2 3 . 2 2 1 1 U H3' H 1 4.453 0.005 . 1 . . . . . . . . 6895 2 4 . 2 2 1 1 U H4' H 1 4.254 0.017 . 1 . . . . . . . . 6895 2 5 . 2 2 1 1 U H5 H 1 5.723 0.003 . 1 . . . . . . . . 6895 2 6 . 2 2 1 1 U H5' H 1 3.814 0.004 . 2 . . . . . . . . 6895 2 7 . 2 2 1 1 U H6 H 1 7.861 0.005 . 1 . . . . . . . . 6895 2 8 . 2 2 1 1 U H5'' H 1 3.966 0.007 . 2 . . . . . . . . 6895 2 9 . 2 2 2 2 G H1' H 1 5.847 0.004 . 1 . . . . . . . . 6895 2 10 . 2 2 2 2 G H2' H 1 5.214 0.005 . 1 . . . . . . . . 6895 2 11 . 2 2 2 2 G H3' H 1 4.881 0.002 . 1 . . . . . . . . 6895 2 12 . 2 2 2 2 G H4' H 1 4.449 0.003 . 1 . . . . . . . . 6895 2 13 . 2 2 2 2 G H5' H 1 3.714 0.006 . 2 . . . . . . . . 6895 2 14 . 2 2 2 2 G H8 H 1 8.211 0.003 . 1 . . . . . . . . 6895 2 15 . 2 2 2 2 G H5'' H 1 4.186 0.007 . 2 . . . . . . . . 6895 2 16 . 2 2 3 3 C H1' H 1 6.122 0.004 . 1 . . . . . . . . 6895 2 17 . 2 2 3 3 C H2' H 1 3.388 0.004 . 1 . . . . . . . . 6895 2 18 . 2 2 3 3 C H3' H 1 3.247 0.005 . 1 . . . . . . . . 6895 2 19 . 2 2 3 3 C H4' H 1 4.417 0.006 . 1 . . . . . . . . 6895 2 20 . 2 2 3 3 C H5 H 1 5.95 0.005 . 1 . . . . . . . . 6895 2 21 . 2 2 3 3 C H5' H 1 3.576 0.007 . 2 . . . . . . . . 6895 2 22 . 2 2 3 3 C H6 H 1 7.773 0.006 . 1 . . . . . . . . 6895 2 23 . 2 2 3 3 C H5'' H 1 4.255 0.008 . 2 . . . . . . . . 6895 2 24 . 2 2 4 4 A H1' H 1 6.096 0.005 . 1 . . . . . . . . 6895 2 25 . 2 2 4 4 A H2 H 1 8.627 0.005 . 1 . . . . . . . . 6895 2 26 . 2 2 4 4 A H2' H 1 5.33 0.004 . 1 . . . . . . . . 6895 2 27 . 2 2 4 4 A H3' H 1 4.769 0.003 . 1 . . . . . . . . 6895 2 28 . 2 2 4 4 A H4' H 1 4.386 0.005 . 1 . . . . . . . . 6895 2 29 . 2 2 4 4 A H5' H 1 3.939 0.005 . 2 . . . . . . . . 6895 2 30 . 2 2 4 4 A H8 H 1 8.679 0.005 . 1 . . . . . . . . 6895 2 31 . 2 2 4 4 A H5'' H 1 4.297 0.004 . 2 . . . . . . . . 6895 2 32 . 2 2 5 5 U H1' H 1 5.927 0.006 . 1 . . . . . . . . 6895 2 33 . 2 2 5 5 U H2' H 1 4.199 0.005 . 1 . . . . . . . . 6895 2 34 . 2 2 5 5 U H3' H 1 4.711 0.003 . 1 . . . . . . . . 6895 2 35 . 2 2 5 5 U H4' H 1 4.066 0.008 . 1 . . . . . . . . 6895 2 36 . 2 2 5 5 U H5 H 1 5.742 0.003 . 1 . . . . . . . . 6895 2 37 . 2 2 5 5 U H5' H 1 3.244 0.005 . 2 . . . . . . . . 6895 2 38 . 2 2 5 5 U H6 H 1 7.427 0.005 . 1 . . . . . . . . 6895 2 39 . 2 2 5 5 U H5'' H 1 3.825 0.010 . 2 . . . . . . . . 6895 2 40 . 2 2 6 6 G H1' H 1 5.66 0.003 . 1 . . . . . . . . 6895 2 41 . 2 2 6 6 G H2' H 1 5.526 0.006 . 1 . . . . . . . . 6895 2 42 . 2 2 6 6 G H3' H 1 4.864 0.004 . 1 . . . . . . . . 6895 2 43 . 2 2 6 6 G H4' H 1 4.713 0.004 . 1 . . . . . . . . 6895 2 44 . 2 2 6 6 G H5' H 1 4.391 0.005 . 2 . . . . . . . . 6895 2 45 . 2 2 6 6 G H8 H 1 7.565 0.005 . 1 . . . . . . . . 6895 2 46 . 2 2 6 6 G H5'' H 1 4.477 0.007 . 2 . . . . . . . . 6895 2 47 . 2 2 7 7 U H1' H 1 6.125 0.003 . 1 . . . . . . . . 6895 2 48 . 2 2 7 7 U H2' H 1 4.436 0.008 . 1 . . . . . . . . 6895 2 49 . 2 2 7 7 U H3' H 1 4.502 0.005 . 1 . . . . . . . . 6895 2 50 . 2 2 7 7 U H5 H 1 6.058 0.006 . 1 . . . . . . . . 6895 2 51 . 2 2 7 7 U H5' H 1 4.218 0.006 . 2 . . . . . . . . 6895 2 52 . 2 2 7 7 U H6 H 1 7.972 0.003 . 1 . . . . . . . . 6895 2 53 . 2 2 7 7 U H5'' H 1 4.423 0.007 . 2 . . . . . . . . 6895 2 stop_ save_