data_27260 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27260 _Entry.Title ; Backbone chemical shift assignments of apo calmodulin bound to the NaV1.7 IQ motif peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-09-20 _Entry.Accession_date 2017-09-20 _Entry.Last_release_date 2017-09-20 _Entry.Original_release_date 2017-09-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Holly Isbell . M. . . 27260 2 Adina Kilpatrick . M. . . 27260 3 Madeline Shea . A. . . 27260 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 27260 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 518 27260 '15N chemical shifts' 171 27260 '1H chemical shifts' 171 27260 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2018-09-28 2017-09-20 update BMRB 'update entry citation' 27260 1 . . 2018-05-08 2017-09-20 original author 'original release' 27260 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27260 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 29728980 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone resonance assignments of complexes of apo human calmodulin bound to IQ motif peptides of voltage-dependent sodium channels NaV1.1, NaV1.4 and NaV1.7 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 283 _Citation.Page_last 289 _Citation.Year 2018 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Holly Isbell H. M. . . 27260 1 2 Adina Kilpatrick A. M. . . 27260 1 3 Zesen Lin Z. . . . 27260 1 4 Ryan Mahling R. . . . 27260 1 5 Madeline Shea M. A. . . 27260 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27260 _Assembly.ID 1 _Assembly.Name 'CaM NaV1.7 IQ motif' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Calmodulin 1 $Calmodulin A . yes native no no . . . 27260 1 2 'NaV1.7 IQ Motif' 2 $voltage-gated_sodium_channel_NaV1.7_IQ_motif_peptide A . yes native no no . . . 27260 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1CFC . . NMR . 'Apo calmodulin' . 27260 1 yes PDB 2KXW . . NMR . 'Structure of the C-domain Fragment of apo Calmodulin Bound to the IQ motif of Nav1.2' . 27260 1 yes PDB 2L53 . . NMR . 'Solution NMR Structure of apo-calmodulin in complex with the IQ motif of Human Cardiac Sodium Channel NaV1.5' . 27260 1 yes PDB 2M5E . . NMR . 'Structure of the C-domain of Calcium-saturated Calmodulin bound to the IQ motif of NaV1.2' . 27260 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Calmodulin _Entity.Sf_category entity _Entity.Sf_framecode Calmodulin _Entity.Entry_ID 27260 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Calmodulin _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 ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residues 1-148' _Entity.Polymer_author_seq_details 'Initial alanine is residue 1' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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_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 yes UNP P0DP23 . . . . . . . . . . . . . . . . 27260 1 2 yes NCBI 801 . . . . . . . . . . . . . . . . 27260 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 1 ALA . 27260 1 2 2 ASP . 27260 1 3 3 GLN . 27260 1 4 4 LEU . 27260 1 5 5 THR . 27260 1 6 6 GLU . 27260 1 7 7 GLU . 27260 1 8 8 GLN . 27260 1 9 9 ILE . 27260 1 10 10 ALA . 27260 1 11 11 GLU . 27260 1 12 12 PHE . 27260 1 13 13 LYS . 27260 1 14 14 GLU . 27260 1 15 15 ALA . 27260 1 16 16 PHE . 27260 1 17 17 SER . 27260 1 18 18 LEU . 27260 1 19 19 PHE . 27260 1 20 20 ASP . 27260 1 21 21 LYS . 27260 1 22 22 ASP . 27260 1 23 23 GLY . 27260 1 24 24 ASP . 27260 1 25 25 GLY . 27260 1 26 26 THR . 27260 1 27 27 ILE . 27260 1 28 28 THR . 27260 1 29 29 THR . 27260 1 30 30 LYS . 27260 1 31 31 GLU . 27260 1 32 32 LEU . 27260 1 33 33 GLY . 27260 1 34 34 THR . 27260 1 35 35 VAL . 27260 1 36 36 MET . 27260 1 37 37 ARG . 27260 1 38 38 SER . 27260 1 39 39 LEU . 27260 1 40 40 GLY . 27260 1 41 41 GLN . 27260 1 42 42 ASN . 27260 1 43 43 PRO . 27260 1 44 44 THR . 27260 1 45 45 GLU . 27260 1 46 46 ALA . 27260 1 47 47 GLU . 27260 1 48 48 LEU . 27260 1 49 49 GLN . 27260 1 50 50 ASP . 27260 1 51 51 MET . 27260 1 52 52 ILE . 27260 1 53 53 ASN . 27260 1 54 54 GLU . 27260 1 55 55 VAL . 27260 1 56 56 ASP . 27260 1 57 57 ALA . 27260 1 58 58 ASP . 27260 1 59 59 GLY . 27260 1 60 60 ASN . 27260 1 61 61 GLY . 27260 1 62 62 THR . 27260 1 63 63 ILE . 27260 1 64 64 ASP . 27260 1 65 65 PHE . 27260 1 66 66 PRO . 27260 1 67 67 GLU . 27260 1 68 68 PHE . 27260 1 69 69 LEU . 27260 1 70 70 THR . 27260 1 71 71 MET . 27260 1 72 72 MET . 27260 1 73 73 ALA . 27260 1 74 74 ARG . 27260 1 75 75 LYS . 27260 1 76 76 MET . 27260 1 77 77 LYS . 27260 1 78 78 ASP . 27260 1 79 79 THR . 27260 1 80 80 ASP . 27260 1 81 81 SER . 27260 1 82 82 GLU . 27260 1 83 83 GLU . 27260 1 84 84 GLU . 27260 1 85 85 ILE . 27260 1 86 86 ARG . 27260 1 87 87 GLU . 27260 1 88 88 ALA . 27260 1 89 89 PHE . 27260 1 90 90 ARG . 27260 1 91 91 VAL . 27260 1 92 92 PHE . 27260 1 93 93 ASP . 27260 1 94 94 LYS . 27260 1 95 95 ASP . 27260 1 96 96 GLY . 27260 1 97 97 ASN . 27260 1 98 98 GLY . 27260 1 99 99 TYR . 27260 1 100 100 ILE . 27260 1 101 101 SER . 27260 1 102 102 ALA . 27260 1 103 103 ALA . 27260 1 104 104 GLU . 27260 1 105 105 LEU . 27260 1 106 106 ARG . 27260 1 107 107 HIS . 27260 1 108 108 VAL . 27260 1 109 109 MET . 27260 1 110 110 THR . 27260 1 111 111 ASN . 27260 1 112 112 LEU . 27260 1 113 113 GLY . 27260 1 114 114 GLU . 27260 1 115 115 LYS . 27260 1 116 116 LEU . 27260 1 117 117 THR . 27260 1 118 118 ASP . 27260 1 119 119 GLU . 27260 1 120 120 GLU . 27260 1 121 121 VAL . 27260 1 122 122 ASP . 27260 1 123 123 GLU . 27260 1 124 124 MET . 27260 1 125 125 ILE . 27260 1 126 126 ARG . 27260 1 127 127 GLU . 27260 1 128 128 ALA . 27260 1 129 129 ASP . 27260 1 130 130 ILE . 27260 1 131 131 ASP . 27260 1 132 132 GLY . 27260 1 133 133 ASP . 27260 1 134 134 GLY . 27260 1 135 135 GLN . 27260 1 136 136 VAL . 27260 1 137 137 ASN . 27260 1 138 138 TYR . 27260 1 139 139 GLU . 27260 1 140 140 GLU . 27260 1 141 141 PHE . 27260 1 142 142 VAL . 27260 1 143 143 GLN . 27260 1 144 144 MET . 27260 1 145 145 MET . 27260 1 146 146 THR . 27260 1 147 147 ALA . 27260 1 148 148 LYS . 27260 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 . ALA 1 1 27260 1 . ASP 2 2 27260 1 . GLN 3 3 27260 1 . LEU 4 4 27260 1 . THR 5 5 27260 1 . GLU 6 6 27260 1 . GLU 7 7 27260 1 . GLN 8 8 27260 1 . ILE 9 9 27260 1 . ALA 10 10 27260 1 . GLU 11 11 27260 1 . PHE 12 12 27260 1 . LYS 13 13 27260 1 . GLU 14 14 27260 1 . ALA 15 15 27260 1 . PHE 16 16 27260 1 . SER 17 17 27260 1 . LEU 18 18 27260 1 . PHE 19 19 27260 1 . ASP 20 20 27260 1 . LYS 21 21 27260 1 . ASP 22 22 27260 1 . GLY 23 23 27260 1 . ASP 24 24 27260 1 . GLY 25 25 27260 1 . THR 26 26 27260 1 . ILE 27 27 27260 1 . THR 28 28 27260 1 . THR 29 29 27260 1 . LYS 30 30 27260 1 . GLU 31 31 27260 1 . LEU 32 32 27260 1 . GLY 33 33 27260 1 . THR 34 34 27260 1 . VAL 35 35 27260 1 . MET 36 36 27260 1 . ARG 37 37 27260 1 . SER 38 38 27260 1 . LEU 39 39 27260 1 . GLY 40 40 27260 1 . GLN 41 41 27260 1 . ASN 42 42 27260 1 . PRO 43 43 27260 1 . THR 44 44 27260 1 . GLU 45 45 27260 1 . ALA 46 46 27260 1 . GLU 47 47 27260 1 . LEU 48 48 27260 1 . GLN 49 49 27260 1 . ASP 50 50 27260 1 . MET 51 51 27260 1 . ILE 52 52 27260 1 . ASN 53 53 27260 1 . GLU 54 54 27260 1 . VAL 55 55 27260 1 . ASP 56 56 27260 1 . ALA 57 57 27260 1 . ASP 58 58 27260 1 . GLY 59 59 27260 1 . ASN 60 60 27260 1 . GLY 61 61 27260 1 . THR 62 62 27260 1 . ILE 63 63 27260 1 . ASP 64 64 27260 1 . PHE 65 65 27260 1 . PRO 66 66 27260 1 . GLU 67 67 27260 1 . PHE 68 68 27260 1 . LEU 69 69 27260 1 . THR 70 70 27260 1 . MET 71 71 27260 1 . MET 72 72 27260 1 . ALA 73 73 27260 1 . ARG 74 74 27260 1 . LYS 75 75 27260 1 . MET 76 76 27260 1 . LYS 77 77 27260 1 . ASP 78 78 27260 1 . THR 79 79 27260 1 . ASP 80 80 27260 1 . SER 81 81 27260 1 . GLU 82 82 27260 1 . GLU 83 83 27260 1 . GLU 84 84 27260 1 . ILE 85 85 27260 1 . ARG 86 86 27260 1 . GLU 87 87 27260 1 . ALA 88 88 27260 1 . PHE 89 89 27260 1 . ARG 90 90 27260 1 . VAL 91 91 27260 1 . PHE 92 92 27260 1 . ASP 93 93 27260 1 . LYS 94 94 27260 1 . ASP 95 95 27260 1 . GLY 96 96 27260 1 . ASN 97 97 27260 1 . GLY 98 98 27260 1 . TYR 99 99 27260 1 . ILE 100 100 27260 1 . SER 101 101 27260 1 . ALA 102 102 27260 1 . ALA 103 103 27260 1 . GLU 104 104 27260 1 . LEU 105 105 27260 1 . ARG 106 106 27260 1 . HIS 107 107 27260 1 . VAL 108 108 27260 1 . MET 109 109 27260 1 . THR 110 110 27260 1 . ASN 111 111 27260 1 . LEU 112 112 27260 1 . GLY 113 113 27260 1 . GLU 114 114 27260 1 . LYS 115 115 27260 1 . LEU 116 116 27260 1 . THR 117 117 27260 1 . ASP 118 118 27260 1 . GLU 119 119 27260 1 . GLU 120 120 27260 1 . VAL 121 121 27260 1 . ASP 122 122 27260 1 . GLU 123 123 27260 1 . MET 124 124 27260 1 . ILE 125 125 27260 1 . ARG 126 126 27260 1 . GLU 127 127 27260 1 . ALA 128 128 27260 1 . ASP 129 129 27260 1 . ILE 130 130 27260 1 . ASP 131 131 27260 1 . GLY 132 132 27260 1 . ASP 133 133 27260 1 . GLY 134 134 27260 1 . GLN 135 135 27260 1 . VAL 136 136 27260 1 . ASN 137 137 27260 1 . TYR 138 138 27260 1 . GLU 139 139 27260 1 . GLU 140 140 27260 1 . PHE 141 141 27260 1 . VAL 142 142 27260 1 . GLN 143 143 27260 1 . MET 144 144 27260 1 . MET 145 145 27260 1 . THR 146 146 27260 1 . ALA 147 147 27260 1 . LYS 148 148 27260 1 stop_ save_ save_voltage-gated_sodium_channel_NaV1.7_IQ_motif_peptide _Entity.Sf_category entity _Entity.Sf_framecode voltage-gated_sodium_channel_NaV1.7_IQ_motif_peptide _Entity.Entry_ID 27260 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name voltage-gated_sodium_channel_NaV1.7_IQ_motif_peptide _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 ; GPGSKRKQEDVSATVIQRAY RRYRLRQNVKN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residues numbered 1885-1911' _Entity.Polymer_author_seq_details ; First four residues (GPGS) are part of a 3C protease cleavage site (numbered -4 to -1). NaV1.7 residue 1885 is residue 5 of the peptide. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 31 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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_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 yes UNP Q15858 . . . . . . . . . . . . . . . . 27260 2 2 yes NCBI 6335 . . . . . . . . . . . . . . . . 27260 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 -4 GLY . 27260 2 2 -3 PRO . 27260 2 3 -2 GLY . 27260 2 4 -1 SER . 27260 2 5 1885 LYS . 27260 2 6 1886 ARG . 27260 2 7 1887 LYS . 27260 2 8 1888 GLN . 27260 2 9 1889 GLU . 27260 2 10 1890 ASP . 27260 2 11 1891 VAL . 27260 2 12 1892 SER . 27260 2 13 1893 ALA . 27260 2 14 1894 THR . 27260 2 15 1895 VAL . 27260 2 16 1896 ILE . 27260 2 17 1897 GLN . 27260 2 18 1898 ARG . 27260 2 19 1899 ALA . 27260 2 20 1900 TYR . 27260 2 21 1901 ARG . 27260 2 22 1902 ARG . 27260 2 23 1903 TYR . 27260 2 24 1904 ARG . 27260 2 25 1905 LEU . 27260 2 26 1906 ARG . 27260 2 27 1907 GLN . 27260 2 28 1908 ASN . 27260 2 29 1909 VAL . 27260 2 30 1910 LYS . 27260 2 31 1911 ASN . 27260 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 . GLY 1 1 27260 2 . PRO 2 2 27260 2 . GLY 3 3 27260 2 . SER 4 4 27260 2 . LYS 5 5 27260 2 . ARG 6 6 27260 2 . LYS 7 7 27260 2 . GLN 8 8 27260 2 . GLU 9 9 27260 2 . ASP 10 10 27260 2 . VAL 11 11 27260 2 . SER 12 12 27260 2 . ALA 13 13 27260 2 . THR 14 14 27260 2 . VAL 15 15 27260 2 . ILE 16 16 27260 2 . GLN 17 17 27260 2 . ARG 18 18 27260 2 . ALA 19 19 27260 2 . TYR 20 20 27260 2 . ARG 21 21 27260 2 . ARG 22 22 27260 2 . TYR 23 23 27260 2 . ARG 24 24 27260 2 . LEU 25 25 27260 2 . ARG 26 26 27260 2 . GLN 27 27 27260 2 . ASN 28 28 27260 2 . VAL 29 29 27260 2 . LYS 30 30 27260 2 . ASN 31 31 27260 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 27260 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Calmodulin . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27260 1 2 2 $voltage-gated_sodium_channel_NaV1.7_IQ_motif_peptide . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27260 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 27260 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Calmodulin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . pT7-7 . . . 27260 1 2 2 $voltage-gated_sodium_channel_NaV1.7_IQ_motif_peptide . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . pBG101 . . . 27260 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27260 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Calmodulin '[U-99% 13C; U-99% 15N]' . . 1 $Calmodulin . . 1.0 . . mM . . . . 27260 1 2 'voltage-gated sodium channel NaV1.7 IQ motif peptide' '[U-99% 13C; U-99% 15N]' . . 2 $voltage-gated_sodium_channel_NaV1.7_IQ_motif_peptide . . 1.0 . . mM . . . . 27260 1 3 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 27260 1 4 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27260 1 5 imidazole '[U-99% 2H]' . . . . . . 10 . . mM . . . . 27260 1 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 27260 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27260 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 27260 1 pH 6.5 . pH 27260 1 pressure 1 . atm 27260 1 temperature 298 . K 27260 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27260 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27260 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27260 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27260 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27260 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27260 2 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 27260 _Software.ID 3 _Software.Type . _Software.Name Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27260 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27260 3 . 'data analysis' 27260 3 . 'peak picking' 27260 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27260 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27260 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 27260 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 27260 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27260 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27260 1 3 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27260 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27260 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27260 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27260 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.773 na indirect 0.25144953 . . . . . 27260 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . 27260 1 N 15 water protons . . . . ppm 4.773 na indirect 0.101329118 . . . . . 27260 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27260 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27260 1 2 '3D HNCACB' . . . 27260 1 3 '3D HN(CO)CACB' . . . 27260 1 4 '3D HNCO' . . . 27260 1 5 '3D HN(CA)CO' . . . 27260 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $Analysis . . 27260 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ASP C C 13 175.598 0.000 . 1 . . . . . 2 ASP C . 27260 1 2 . 1 . 1 2 2 ASP CA C 13 54.886 0.000 . 1 . . . . . 2 ASP CA . 27260 1 3 . 1 . 1 2 2 ASP CB C 13 41.431 0.002 . 1 . . . . . 2 ASP CB . 27260 1 4 . 1 . 1 3 3 GLN H H 1 8.203 0.001 . 1 . . . . . 3 GLN H . 27260 1 5 . 1 . 1 3 3 GLN C C 13 175.658 0.010 . 1 . . . . . 3 GLN C . 27260 1 6 . 1 . 1 3 3 GLN CA C 13 55.379 0.033 . 1 . . . . . 3 GLN CA . 27260 1 7 . 1 . 1 3 3 GLN CB C 13 30.451 0.016 . 1 . . . . . 3 GLN CB . 27260 1 8 . 1 . 1 3 3 GLN N N 15 118.651 0.011 . 1 . . . . . 3 GLN N . 27260 1 9 . 1 . 1 4 4 LEU H H 1 8.293 0.002 . 1 . . . . . 4 LEU H . 27260 1 10 . 1 . 1 4 4 LEU C C 13 177.554 0.010 . 1 . . . . . 4 LEU C . 27260 1 11 . 1 . 1 4 4 LEU CA C 13 54.397 0.026 . 1 . . . . . 4 LEU CA . 27260 1 12 . 1 . 1 4 4 LEU CB C 13 43.512 0.033 . 1 . . . . . 4 LEU CB . 27260 1 13 . 1 . 1 4 4 LEU N N 15 122.102 0.008 . 1 . . . . . 4 LEU N . 27260 1 14 . 1 . 1 5 5 THR H H 1 8.755 0.002 . 1 . . . . . 5 THR H . 27260 1 15 . 1 . 1 5 5 THR C C 13 175.374 0.018 . 1 . . . . . 5 THR C . 27260 1 16 . 1 . 1 5 5 THR CA C 13 60.449 0.023 . 1 . . . . . 5 THR CA . 27260 1 17 . 1 . 1 5 5 THR CB C 13 71.123 0.024 . 1 . . . . . 5 THR CB . 27260 1 18 . 1 . 1 5 5 THR N N 15 113.005 0.003 . 1 . . . . . 5 THR N . 27260 1 19 . 1 . 1 6 6 GLU H H 1 9.022 0.002 . 1 . . . . . 6 GLU H . 27260 1 20 . 1 . 1 6 6 GLU C C 13 179.507 0.029 . 1 . . . . . 6 GLU C . 27260 1 21 . 1 . 1 6 6 GLU CA C 13 60.037 0.088 . 1 . . . . . 6 GLU CA . 27260 1 22 . 1 . 1 6 6 GLU CB C 13 29.331 0.009 . 1 . . . . . 6 GLU CB . 27260 1 23 . 1 . 1 6 6 GLU N N 15 120.393 0.006 . 1 . . . . . 6 GLU N . 27260 1 24 . 1 . 1 7 7 GLU H H 1 8.730 0.002 . 1 . . . . . 7 GLU H . 27260 1 25 . 1 . 1 7 7 GLU C C 13 179.325 0.055 . 1 . . . . . 7 GLU C . 27260 1 26 . 1 . 1 7 7 GLU CA C 13 60.199 0.053 . 1 . . . . . 7 GLU CA . 27260 1 27 . 1 . 1 7 7 GLU CB C 13 29.106 0.044 . 1 . . . . . 7 GLU CB . 27260 1 28 . 1 . 1 7 7 GLU N N 15 119.474 0.010 . 1 . . . . . 7 GLU N . 27260 1 29 . 1 . 1 8 8 GLN H H 1 7.717 0.004 . 1 . . . . . 8 GLN H . 27260 1 30 . 1 . 1 8 8 GLN C C 13 177.595 0.000 . 1 . . . . . 8 GLN C . 27260 1 31 . 1 . 1 8 8 GLN CA C 13 58.660 0.023 . 1 . . . . . 8 GLN CA . 27260 1 32 . 1 . 1 8 8 GLN CB C 13 29.327 0.011 . 1 . . . . . 8 GLN CB . 27260 1 33 . 1 . 1 8 8 GLN N N 15 120.652 0.013 . 1 . . . . . 8 GLN N . 27260 1 34 . 1 . 1 9 9 ILE H H 1 8.221 0.002 . 1 . . . . . 9 ILE H . 27260 1 35 . 1 . 1 9 9 ILE C C 13 177.673 0.008 . 1 . . . . . 9 ILE C . 27260 1 36 . 1 . 1 9 9 ILE CA C 13 66.754 0.014 . 1 . . . . . 9 ILE CA . 27260 1 37 . 1 . 1 9 9 ILE CB C 13 38.204 0.065 . 1 . . . . . 9 ILE CB . 27260 1 38 . 1 . 1 9 9 ILE N N 15 118.654 0.007 . 1 . . . . . 9 ILE N . 27260 1 39 . 1 . 1 10 10 ALA H H 1 7.912 0.004 . 1 . . . . . 10 ALA H . 27260 1 40 . 1 . 1 10 10 ALA C C 13 180.828 0.047 . 1 . . . . . 10 ALA C . 27260 1 41 . 1 . 1 10 10 ALA CA C 13 55.405 0.041 . 1 . . . . . 10 ALA CA . 27260 1 42 . 1 . 1 10 10 ALA CB C 13 18.150 0.036 . 1 . . . . . 10 ALA CB . 27260 1 43 . 1 . 1 10 10 ALA N N 15 120.515 0.008 . 1 . . . . . 10 ALA N . 27260 1 44 . 1 . 1 11 11 GLU H H 1 7.787 0.002 . 1 . . . . . 11 GLU H . 27260 1 45 . 1 . 1 11 11 GLU C C 13 180.318 0.040 . 1 . . . . . 11 GLU C . 27260 1 46 . 1 . 1 11 11 GLU CA C 13 59.408 0.017 . 1 . . . . . 11 GLU CA . 27260 1 47 . 1 . 1 11 11 GLU CB C 13 29.500 0.021 . 1 . . . . . 11 GLU CB . 27260 1 48 . 1 . 1 11 11 GLU N N 15 120.326 0.007 . 1 . . . . . 11 GLU N . 27260 1 49 . 1 . 1 12 12 PHE H H 1 8.802 0.002 . 1 . . . . . 12 PHE H . 27260 1 50 . 1 . 1 12 12 PHE C C 13 178.055 0.024 . 1 . . . . . 12 PHE C . 27260 1 51 . 1 . 1 12 12 PHE CA C 13 58.464 0.010 . 1 . . . . . 12 PHE CA . 27260 1 52 . 1 . 1 12 12 PHE CB C 13 37.092 0.049 . 1 . . . . . 12 PHE CB . 27260 1 53 . 1 . 1 12 12 PHE N N 15 120.463 0.007 . 1 . . . . . 12 PHE N . 27260 1 54 . 1 . 1 13 13 LYS H H 1 9.230 0.004 . 1 . . . . . 13 LYS H . 27260 1 55 . 1 . 1 13 13 LYS C C 13 179.211 0.000 . 1 . . . . . 13 LYS C . 27260 1 56 . 1 . 1 13 13 LYS CA C 13 59.842 0.000 . 1 . . . . . 13 LYS CA . 27260 1 57 . 1 . 1 13 13 LYS CB C 13 32.189 0.000 . 1 . . . . . 13 LYS CB . 27260 1 58 . 1 . 1 13 13 LYS N N 15 121.670 0.009 . 1 . . . . . 13 LYS N . 27260 1 59 . 1 . 1 14 14 GLU H H 1 8.061 0.001 . 1 . . . . . 14 GLU H . 27260 1 60 . 1 . 1 14 14 GLU C C 13 178.801 0.000 . 1 . . . . . 14 GLU C . 27260 1 61 . 1 . 1 14 14 GLU CA C 13 59.453 0.029 . 1 . . . . . 14 GLU CA . 27260 1 62 . 1 . 1 14 14 GLU CB C 13 29.460 0.030 . 1 . . . . . 14 GLU CB . 27260 1 63 . 1 . 1 14 14 GLU N N 15 120.582 0.008 . 1 . . . . . 14 GLU N . 27260 1 64 . 1 . 1 15 15 ALA H H 1 7.648 0.002 . 1 . . . . . 15 ALA H . 27260 1 65 . 1 . 1 15 15 ALA C C 13 179.018 0.031 . 1 . . . . . 15 ALA C . 27260 1 66 . 1 . 1 15 15 ALA CA C 13 55.166 0.004 . 1 . . . . . 15 ALA CA . 27260 1 67 . 1 . 1 15 15 ALA CB C 13 19.504 0.028 . 1 . . . . . 15 ALA CB . 27260 1 68 . 1 . 1 15 15 ALA N N 15 120.890 0.005 . 1 . . . . . 15 ALA N . 27260 1 69 . 1 . 1 16 16 PHE H H 1 8.526 0.003 . 1 . . . . . 16 PHE H . 27260 1 70 . 1 . 1 16 16 PHE C C 13 177.468 0.000 . 1 . . . . . 16 PHE C . 27260 1 71 . 1 . 1 16 16 PHE CA C 13 61.916 0.013 . 1 . . . . . 16 PHE CA . 27260 1 72 . 1 . 1 16 16 PHE CB C 13 41.032 0.020 . 1 . . . . . 16 PHE CB . 27260 1 73 . 1 . 1 16 16 PHE N N 15 117.987 0.011 . 1 . . . . . 16 PHE N . 27260 1 74 . 1 . 1 17 17 SER H H 1 8.415 0.002 . 1 . . . . . 17 SER H . 27260 1 75 . 1 . 1 17 17 SER C C 13 175.005 0.000 . 1 . . . . . 17 SER C . 27260 1 76 . 1 . 1 17 17 SER CA C 13 61.680 0.050 . 1 . . . . . 17 SER CA . 27260 1 77 . 1 . 1 17 17 SER CB C 13 63.040 0.032 . 1 . . . . . 17 SER CB . 27260 1 78 . 1 . 1 17 17 SER N N 15 111.131 0.004 . 1 . . . . . 17 SER N . 27260 1 79 . 1 . 1 18 18 LEU H H 1 7.342 0.003 . 1 . . . . . 18 LEU H . 27260 1 80 . 1 . 1 18 18 LEU C C 13 177.883 0.015 . 1 . . . . . 18 LEU C . 27260 1 81 . 1 . 1 18 18 LEU CA C 13 56.928 0.010 . 1 . . . . . 18 LEU CA . 27260 1 82 . 1 . 1 18 18 LEU CB C 13 41.777 0.046 . 1 . . . . . 18 LEU CB . 27260 1 83 . 1 . 1 18 18 LEU N N 15 121.253 0.006 . 1 . . . . . 18 LEU N . 27260 1 84 . 1 . 1 19 19 PHE H H 1 7.381 0.001 . 1 . . . . . 19 PHE H . 27260 1 85 . 1 . 1 19 19 PHE C C 13 174.425 0.025 . 1 . . . . . 19 PHE C . 27260 1 86 . 1 . 1 19 19 PHE CA C 13 58.486 0.046 . 1 . . . . . 19 PHE CA . 27260 1 87 . 1 . 1 19 19 PHE CB C 13 39.847 0.039 . 1 . . . . . 19 PHE CB . 27260 1 88 . 1 . 1 19 19 PHE N N 15 114.895 0.009 . 1 . . . . . 19 PHE N . 27260 1 89 . 1 . 1 20 20 ASP H H 1 7.295 0.004 . 1 . . . . . 20 ASP H . 27260 1 90 . 1 . 1 20 20 ASP C C 13 176.951 0.016 . 1 . . . . . 20 ASP C . 27260 1 91 . 1 . 1 20 20 ASP CA C 13 52.710 0.010 . 1 . . . . . 20 ASP CA . 27260 1 92 . 1 . 1 20 20 ASP CB C 13 40.068 0.021 . 1 . . . . . 20 ASP CB . 27260 1 93 . 1 . 1 20 20 ASP N N 15 122.632 0.013 . 1 . . . . . 20 ASP N . 27260 1 94 . 1 . 1 21 21 LYS H H 1 8.074 0.001 . 1 . . . . . 21 LYS H . 27260 1 95 . 1 . 1 21 21 LYS C C 13 177.883 0.024 . 1 . . . . . 21 LYS C . 27260 1 96 . 1 . 1 21 21 LYS CA C 13 58.459 0.031 . 1 . . . . . 21 LYS CA . 27260 1 97 . 1 . 1 21 21 LYS CB C 13 32.598 0.022 . 1 . . . . . 21 LYS CB . 27260 1 98 . 1 . 1 21 21 LYS N N 15 123.874 0.006 . 1 . . . . . 21 LYS N . 27260 1 99 . 1 . 1 22 22 ASP H H 1 8.737 0.001 . 1 . . . . . 22 ASP H . 27260 1 100 . 1 . 1 22 22 ASP C C 13 176.819 0.007 . 1 . . . . . 22 ASP C . 27260 1 101 . 1 . 1 22 22 ASP CA C 13 54.577 0.032 . 1 . . . . . 22 ASP CA . 27260 1 102 . 1 . 1 22 22 ASP CB C 13 41.367 0.007 . 1 . . . . . 22 ASP CB . 27260 1 103 . 1 . 1 22 22 ASP N N 15 117.354 0.004 . 1 . . . . . 22 ASP N . 27260 1 104 . 1 . 1 23 23 GLY H H 1 8.014 0.001 . 1 . . . . . 23 GLY H . 27260 1 105 . 1 . 1 23 23 GLY C C 13 175.185 0.016 . 1 . . . . . 23 GLY C . 27260 1 106 . 1 . 1 23 23 GLY CA C 13 46.863 0.003 . 1 . . . . . 23 GLY CA . 27260 1 107 . 1 . 1 23 23 GLY N N 15 110.440 0.019 . 1 . . . . . 23 GLY N . 27260 1 108 . 1 . 1 24 24 ASP H H 1 8.765 0.002 . 1 . . . . . 24 ASP H . 27260 1 109 . 1 . 1 24 24 ASP C C 13 177.372 0.016 . 1 . . . . . 24 ASP C . 27260 1 110 . 1 . 1 24 24 ASP CA C 13 53.873 0.051 . 1 . . . . . 24 ASP CA . 27260 1 111 . 1 . 1 24 24 ASP CB C 13 41.481 0.024 . 1 . . . . . 24 ASP CB . 27260 1 112 . 1 . 1 24 24 ASP N N 15 120.894 0.008 . 1 . . . . . 24 ASP N . 27260 1 113 . 1 . 1 25 25 GLY H H 1 10.168 0.002 . 1 . . . . . 25 GLY H . 27260 1 114 . 1 . 1 25 25 GLY C C 13 174.174 0.039 . 1 . . . . . 25 GLY C . 27260 1 115 . 1 . 1 25 25 GLY CA C 13 46.040 0.021 . 1 . . . . . 25 GLY CA . 27260 1 116 . 1 . 1 25 25 GLY N N 15 112.141 0.013 . 1 . . . . . 25 GLY N . 27260 1 117 . 1 . 1 26 26 THR H H 1 7.585 0.003 . 1 . . . . . 26 THR H . 27260 1 118 . 1 . 1 26 26 THR C C 13 172.804 0.031 . 1 . . . . . 26 THR C . 27260 1 119 . 1 . 1 26 26 THR CA C 13 59.989 0.056 . 1 . . . . . 26 THR CA . 27260 1 120 . 1 . 1 26 26 THR CB C 13 73.144 0.068 . 1 . . . . . 26 THR CB . 27260 1 121 . 1 . 1 26 26 THR N N 15 109.998 0.010 . 1 . . . . . 26 THR N . 27260 1 122 . 1 . 1 27 27 ILE H H 1 8.264 0.003 . 1 . . . . . 27 ILE H . 27260 1 123 . 1 . 1 27 27 ILE C C 13 175.952 0.017 . 1 . . . . . 27 ILE C . 27260 1 124 . 1 . 1 27 27 ILE CA C 13 59.429 0.046 . 1 . . . . . 27 ILE CA . 27260 1 125 . 1 . 1 27 27 ILE CB C 13 41.562 0.010 . 1 . . . . . 27 ILE CB . 27260 1 126 . 1 . 1 27 27 ILE N N 15 110.588 0.010 . 1 . . . . . 27 ILE N . 27260 1 127 . 1 . 1 28 28 THR H H 1 8.331 0.002 . 1 . . . . . 28 THR H . 27260 1 128 . 1 . 1 28 28 THR C C 13 176.822 0.000 . 1 . . . . . 28 THR C . 27260 1 129 . 1 . 1 28 28 THR CA C 13 60.622 0.022 . 1 . . . . . 28 THR CA . 27260 1 130 . 1 . 1 28 28 THR CB C 13 70.595 0.022 . 1 . . . . . 28 THR CB . 27260 1 131 . 1 . 1 28 28 THR N N 15 110.927 0.006 . 1 . . . . . 28 THR N . 27260 1 132 . 1 . 1 29 29 THR H H 1 8.305 0.002 . 1 . . . . . 29 THR H . 27260 1 133 . 1 . 1 29 29 THR C C 13 177.164 0.000 . 1 . . . . . 29 THR C . 27260 1 134 . 1 . 1 29 29 THR CA C 13 65.155 0.017 . 1 . . . . . 29 THR CA . 27260 1 135 . 1 . 1 29 29 THR CB C 13 67.484 0.004 . 1 . . . . . 29 THR CB . 27260 1 136 . 1 . 1 29 29 THR N N 15 112.800 0.006 . 1 . . . . . 29 THR N . 27260 1 137 . 1 . 1 30 30 LYS H H 1 7.645 0.002 . 1 . . . . . 30 LYS H . 27260 1 138 . 1 . 1 30 30 LYS C C 13 178.003 0.022 . 1 . . . . . 30 LYS C . 27260 1 139 . 1 . 1 30 30 LYS CA C 13 58.323 0.025 . 1 . . . . . 30 LYS CA . 27260 1 140 . 1 . 1 30 30 LYS CB C 13 32.375 0.029 . 1 . . . . . 30 LYS CB . 27260 1 141 . 1 . 1 30 30 LYS N N 15 119.090 0.006 . 1 . . . . . 30 LYS N . 27260 1 142 . 1 . 1 31 31 GLU H H 1 7.513 0.003 . 1 . . . . . 31 GLU H . 27260 1 143 . 1 . 1 31 31 GLU C C 13 176.246 0.000 . 1 . . . . . 31 GLU C . 27260 1 144 . 1 . 1 31 31 GLU CA C 13 56.135 0.045 . 1 . . . . . 31 GLU CA . 27260 1 145 . 1 . 1 31 31 GLU CB C 13 29.871 0.045 . 1 . . . . . 31 GLU CB . 27260 1 146 . 1 . 1 31 31 GLU N N 15 117.690 0.009 . 1 . . . . . 31 GLU N . 27260 1 147 . 1 . 1 32 32 LEU H H 1 7.363 0.001 . 1 . . . . . 32 LEU H . 27260 1 148 . 1 . 1 32 32 LEU C C 13 178.183 0.022 . 1 . . . . . 32 LEU C . 27260 1 149 . 1 . 1 32 32 LEU CA C 13 58.729 0.032 . 1 . . . . . 32 LEU CA . 27260 1 150 . 1 . 1 32 32 LEU CB C 13 41.961 0.013 . 1 . . . . . 32 LEU CB . 27260 1 151 . 1 . 1 32 32 LEU N N 15 121.075 0.007 . 1 . . . . . 32 LEU N . 27260 1 152 . 1 . 1 33 33 GLY H H 1 8.801 0.001 . 1 . . . . . 33 GLY H . 27260 1 153 . 1 . 1 33 33 GLY C C 13 174.927 0.031 . 1 . . . . . 33 GLY C . 27260 1 154 . 1 . 1 33 33 GLY CA C 13 48.229 0.055 . 1 . . . . . 33 GLY CA . 27260 1 155 . 1 . 1 33 33 GLY N N 15 105.647 0.009 . 1 . . . . . 33 GLY N . 27260 1 156 . 1 . 1 34 34 THR H H 1 7.508 0.001 . 1 . . . . . 34 THR H . 27260 1 157 . 1 . 1 34 34 THR C C 13 177.257 0.000 . 1 . . . . . 34 THR C . 27260 1 158 . 1 . 1 34 34 THR CA C 13 66.012 0.078 . 1 . . . . . 34 THR CA . 27260 1 159 . 1 . 1 34 34 THR CB C 13 68.155 0.045 . 1 . . . . . 34 THR CB . 27260 1 160 . 1 . 1 34 34 THR N N 15 118.604 0.009 . 1 . . . . . 34 THR N . 27260 1 161 . 1 . 1 35 35 VAL H H 1 7.968 0.002 . 1 . . . . . 35 VAL H . 27260 1 162 . 1 . 1 35 35 VAL C C 13 179.306 0.038 . 1 . . . . . 35 VAL C . 27260 1 163 . 1 . 1 35 35 VAL CA C 13 66.391 0.055 . 1 . . . . . 35 VAL CA . 27260 1 164 . 1 . 1 35 35 VAL CB C 13 31.348 0.060 . 1 . . . . . 35 VAL CB . 27260 1 165 . 1 . 1 35 35 VAL N N 15 122.942 0.008 . 1 . . . . . 35 VAL N . 27260 1 166 . 1 . 1 36 36 MET H H 1 8.462 0.003 . 1 . . . . . 36 MET H . 27260 1 167 . 1 . 1 36 36 MET C C 13 179.025 0.018 . 1 . . . . . 36 MET C . 27260 1 168 . 1 . 1 36 36 MET CA C 13 60.201 0.041 . 1 . . . . . 36 MET CA . 27260 1 169 . 1 . 1 36 36 MET CB C 13 31.839 0.053 . 1 . . . . . 36 MET CB . 27260 1 170 . 1 . 1 36 36 MET N N 15 118.563 0.011 . 1 . . . . . 36 MET N . 27260 1 171 . 1 . 1 37 37 ARG H H 1 8.515 0.003 . 1 . . . . . 37 ARG H . 27260 1 172 . 1 . 1 37 37 ARG C C 13 181.451 0.000 . 1 . . . . . 37 ARG C . 27260 1 173 . 1 . 1 37 37 ARG CA C 13 59.420 0.000 . 1 . . . . . 37 ARG CA . 27260 1 174 . 1 . 1 37 37 ARG CB C 13 30.310 0.000 . 1 . . . . . 37 ARG CB . 27260 1 175 . 1 . 1 37 37 ARG N N 15 119.690 0.008 . 1 . . . . . 37 ARG N . 27260 1 176 . 1 . 1 38 38 SER H H 1 8.119 0.003 . 1 . . . . . 38 SER H . 27260 1 177 . 1 . 1 38 38 SER C C 13 175.850 0.000 . 1 . . . . . 38 SER C . 27260 1 178 . 1 . 1 38 38 SER CA C 13 61.544 0.000 . 1 . . . . . 38 SER CA . 27260 1 179 . 1 . 1 38 38 SER CB C 13 62.904 0.000 . 1 . . . . . 38 SER CB . 27260 1 180 . 1 . 1 38 38 SER N N 15 119.269 0.011 . 1 . . . . . 38 SER N . 27260 1 181 . 1 . 1 39 39 LEU H H 1 7.341 0.003 . 1 . . . . . 39 LEU H . 27260 1 182 . 1 . 1 39 39 LEU C C 13 177.242 0.008 . 1 . . . . . 39 LEU C . 27260 1 183 . 1 . 1 39 39 LEU CA C 13 54.564 0.021 . 1 . . . . . 39 LEU CA . 27260 1 184 . 1 . 1 39 39 LEU CB C 13 42.953 0.085 . 1 . . . . . 39 LEU CB . 27260 1 185 . 1 . 1 39 39 LEU N N 15 121.253 0.004 . 1 . . . . . 39 LEU N . 27260 1 186 . 1 . 1 40 40 GLY H H 1 7.929 0.003 . 1 . . . . . 40 GLY H . 27260 1 187 . 1 . 1 40 40 GLY C C 13 174.321 0.054 . 1 . . . . . 40 GLY C . 27260 1 188 . 1 . 1 40 40 GLY CA C 13 45.877 0.056 . 1 . . . . . 40 GLY CA . 27260 1 189 . 1 . 1 40 40 GLY N N 15 107.372 0.005 . 1 . . . . . 40 GLY N . 27260 1 190 . 1 . 1 41 41 GLN H H 1 7.774 0.002 . 1 . . . . . 41 GLN H . 27260 1 191 . 1 . 1 41 41 GLN C C 13 173.994 0.033 . 1 . . . . . 41 GLN C . 27260 1 192 . 1 . 1 41 41 GLN CA C 13 54.192 0.096 . 1 . . . . . 41 GLN CA . 27260 1 193 . 1 . 1 41 41 GLN CB C 13 30.227 0.032 . 1 . . . . . 41 GLN CB . 27260 1 194 . 1 . 1 41 41 GLN N N 15 117.976 0.008 . 1 . . . . . 41 GLN N . 27260 1 195 . 1 . 1 42 42 ASN H H 1 8.664 0.003 . 1 . . . . . 42 ASN H . 27260 1 196 . 1 . 1 42 42 ASN C C 13 171.971 0.000 . 1 . . . . . 42 ASN C . 27260 1 197 . 1 . 1 42 42 ASN CA C 13 51.083 0.000 . 1 . . . . . 42 ASN CA . 27260 1 198 . 1 . 1 42 42 ASN CB C 13 39.335 0.000 . 1 . . . . . 42 ASN CB . 27260 1 199 . 1 . 1 42 42 ASN N N 15 116.774 0.015 . 1 . . . . . 42 ASN N . 27260 1 200 . 1 . 1 43 43 PRO C C 13 177.602 0.000 . 1 . . . . . 43 PRO C . 27260 1 201 . 1 . 1 43 43 PRO CA C 13 62.374 0.020 . 1 . . . . . 43 PRO CA . 27260 1 202 . 1 . 1 43 43 PRO CB C 13 32.116 0.005 . 1 . . . . . 43 PRO CB . 27260 1 203 . 1 . 1 44 44 THR H H 1 8.756 0.003 . 1 . . . . . 44 THR H . 27260 1 204 . 1 . 1 44 44 THR C C 13 175.042 0.024 . 1 . . . . . 44 THR C . 27260 1 205 . 1 . 1 44 44 THR CA C 13 60.746 0.034 . 1 . . . . . 44 THR CA . 27260 1 206 . 1 . 1 44 44 THR CB C 13 70.937 0.029 . 1 . . . . . 44 THR CB . 27260 1 207 . 1 . 1 44 44 THR N N 15 113.217 0.015 . 1 . . . . . 44 THR N . 27260 1 208 . 1 . 1 45 45 GLU H H 1 8.859 0.002 . 1 . . . . . 45 GLU H . 27260 1 209 . 1 . 1 45 45 GLU C C 13 179.214 0.038 . 1 . . . . . 45 GLU C . 27260 1 210 . 1 . 1 45 45 GLU CA C 13 59.959 0.008 . 1 . . . . . 45 GLU CA . 27260 1 211 . 1 . 1 45 45 GLU CB C 13 29.196 0.039 . 1 . . . . . 45 GLU CB . 27260 1 212 . 1 . 1 45 45 GLU N N 15 120.684 0.013 . 1 . . . . . 45 GLU N . 27260 1 213 . 1 . 1 46 46 ALA H H 1 8.328 0.004 . 1 . . . . . 46 ALA H . 27260 1 214 . 1 . 1 46 46 ALA C C 13 180.204 0.036 . 1 . . . . . 46 ALA C . 27260 1 215 . 1 . 1 46 46 ALA CA C 13 55.087 0.051 . 1 . . . . . 46 ALA CA . 27260 1 216 . 1 . 1 46 46 ALA CB C 13 18.503 0.049 . 1 . . . . . 46 ALA CB . 27260 1 217 . 1 . 1 46 46 ALA N N 15 121.240 0.067 . 1 . . . . . 46 ALA N . 27260 1 218 . 1 . 1 47 47 GLU H H 1 7.738 0.004 . 1 . . . . . 47 GLU H . 27260 1 219 . 1 . 1 47 47 GLU C C 13 179.975 0.048 . 1 . . . . . 47 GLU C . 27260 1 220 . 1 . 1 47 47 GLU CA C 13 58.924 0.059 . 1 . . . . . 47 GLU CA . 27260 1 221 . 1 . 1 47 47 GLU CB C 13 30.058 0.031 . 1 . . . . . 47 GLU CB . 27260 1 222 . 1 . 1 47 47 GLU N N 15 119.086 0.013 . 1 . . . . . 47 GLU N . 27260 1 223 . 1 . 1 48 48 LEU H H 1 8.337 0.003 . 1 . . . . . 48 LEU H . 27260 1 224 . 1 . 1 48 48 LEU C C 13 178.379 0.010 . 1 . . . . . 48 LEU C . 27260 1 225 . 1 . 1 48 48 LEU CA C 13 58.108 0.043 . 1 . . . . . 48 LEU CA . 27260 1 226 . 1 . 1 48 48 LEU CB C 13 41.937 0.018 . 1 . . . . . 48 LEU CB . 27260 1 227 . 1 . 1 48 48 LEU N N 15 120.403 0.008 . 1 . . . . . 48 LEU N . 27260 1 228 . 1 . 1 49 49 GLN H H 1 8.071 0.003 . 1 . . . . . 49 GLN H . 27260 1 229 . 1 . 1 49 49 GLN C C 13 178.267 0.031 . 1 . . . . . 49 GLN C . 27260 1 230 . 1 . 1 49 49 GLN CA C 13 58.765 0.029 . 1 . . . . . 49 GLN CA . 27260 1 231 . 1 . 1 49 49 GLN CB C 13 28.254 0.078 . 1 . . . . . 49 GLN CB . 27260 1 232 . 1 . 1 49 49 GLN N N 15 117.813 0.013 . 1 . . . . . 49 GLN N . 27260 1 233 . 1 . 1 50 50 ASP H H 1 7.845 0.003 . 1 . . . . . 50 ASP H . 27260 1 234 . 1 . 1 50 50 ASP C C 13 178.999 0.025 . 1 . . . . . 50 ASP C . 27260 1 235 . 1 . 1 50 50 ASP CA C 13 57.543 0.087 . 1 . . . . . 50 ASP CA . 27260 1 236 . 1 . 1 50 50 ASP CB C 13 40.644 0.044 . 1 . . . . . 50 ASP CB . 27260 1 237 . 1 . 1 50 50 ASP N N 15 119.117 0.004 . 1 . . . . . 50 ASP N . 27260 1 238 . 1 . 1 51 51 MET H H 1 7.946 0.003 . 1 . . . . . 51 MET H . 27260 1 239 . 1 . 1 51 51 MET C C 13 178.471 0.022 . 1 . . . . . 51 MET C . 27260 1 240 . 1 . 1 51 51 MET CA C 13 59.744 0.045 . 1 . . . . . 51 MET CA . 27260 1 241 . 1 . 1 51 51 MET CB C 13 34.239 0.024 . 1 . . . . . 51 MET CB . 27260 1 242 . 1 . 1 51 51 MET N N 15 119.280 0.007 . 1 . . . . . 51 MET N . 27260 1 243 . 1 . 1 52 52 ILE H H 1 8.325 0.003 . 1 . . . . . 52 ILE H . 27260 1 244 . 1 . 1 52 52 ILE C C 13 177.565 0.009 . 1 . . . . . 52 ILE C . 27260 1 245 . 1 . 1 52 52 ILE CA C 13 65.324 0.016 . 1 . . . . . 52 ILE CA . 27260 1 246 . 1 . 1 52 52 ILE CB C 13 38.217 0.010 . 1 . . . . . 52 ILE CB . 27260 1 247 . 1 . 1 52 52 ILE N N 15 119.291 0.015 . 1 . . . . . 52 ILE N . 27260 1 248 . 1 . 1 53 53 ASN H H 1 8.263 0.002 . 1 . . . . . 53 ASN H . 27260 1 249 . 1 . 1 53 53 ASN C C 13 176.846 0.008 . 1 . . . . . 53 ASN C . 27260 1 250 . 1 . 1 53 53 ASN CA C 13 55.395 0.011 . 1 . . . . . 53 ASN CA . 27260 1 251 . 1 . 1 53 53 ASN CB C 13 38.294 0.032 . 1 . . . . . 53 ASN CB . 27260 1 252 . 1 . 1 53 53 ASN N N 15 117.560 0.003 . 1 . . . . . 53 ASN N . 27260 1 253 . 1 . 1 54 54 GLU H H 1 7.587 0.002 . 1 . . . . . 54 GLU H . 27260 1 254 . 1 . 1 54 54 GLU C C 13 177.839 0.016 . 1 . . . . . 54 GLU C . 27260 1 255 . 1 . 1 54 54 GLU CA C 13 58.461 0.008 . 1 . . . . . 54 GLU CA . 27260 1 256 . 1 . 1 54 54 GLU CB C 13 30.306 0.045 . 1 . . . . . 54 GLU CB . 27260 1 257 . 1 . 1 54 54 GLU N N 15 117.451 0.006 . 1 . . . . . 54 GLU N . 27260 1 258 . 1 . 1 55 55 VAL H H 1 7.623 0.002 . 1 . . . . . 55 VAL H . 27260 1 259 . 1 . 1 55 55 VAL C C 13 175.714 0.024 . 1 . . . . . 55 VAL C . 27260 1 260 . 1 . 1 55 55 VAL CA C 13 62.280 0.018 . 1 . . . . . 55 VAL CA . 27260 1 261 . 1 . 1 55 55 VAL CB C 13 32.974 0.029 . 1 . . . . . 55 VAL CB . 27260 1 262 . 1 . 1 55 55 VAL N N 15 113.152 0.004 . 1 . . . . . 55 VAL N . 27260 1 263 . 1 . 1 56 56 ASP H H 1 8.459 0.003 . 1 . . . . . 56 ASP H . 27260 1 264 . 1 . 1 56 56 ASP C C 13 176.936 0.007 . 1 . . . . . 56 ASP C . 27260 1 265 . 1 . 1 56 56 ASP CA C 13 53.670 0.054 . 1 . . . . . 56 ASP CA . 27260 1 266 . 1 . 1 56 56 ASP CB C 13 40.793 0.005 . 1 . . . . . 56 ASP CB . 27260 1 267 . 1 . 1 56 56 ASP N N 15 122.138 0.008 . 1 . . . . . 56 ASP N . 27260 1 268 . 1 . 1 57 57 ALA H H 1 8.158 0.004 . 1 . . . . . 57 ALA H . 27260 1 269 . 1 . 1 57 57 ALA C C 13 179.057 0.000 . 1 . . . . . 57 ALA C . 27260 1 270 . 1 . 1 57 57 ALA CA C 13 54.729 0.000 . 1 . . . . . 57 ALA CA . 27260 1 271 . 1 . 1 57 57 ALA CB C 13 19.124 0.000 . 1 . . . . . 57 ALA CB . 27260 1 272 . 1 . 1 57 57 ALA N N 15 125.245 0.015 . 1 . . . . . 57 ALA N . 27260 1 273 . 1 . 1 58 58 ASP H H 1 8.440 0.002 . 1 . . . . . 58 ASP H . 27260 1 274 . 1 . 1 58 58 ASP C C 13 177.034 0.005 . 1 . . . . . 58 ASP C . 27260 1 275 . 1 . 1 58 58 ASP CA C 13 54.606 0.067 . 1 . . . . . 58 ASP CA . 27260 1 276 . 1 . 1 58 58 ASP CB C 13 41.236 0.011 . 1 . . . . . 58 ASP CB . 27260 1 277 . 1 . 1 58 58 ASP N N 15 115.138 0.006 . 1 . . . . . 58 ASP N . 27260 1 278 . 1 . 1 59 59 GLY H H 1 7.921 0.003 . 1 . . . . . 59 GLY H . 27260 1 279 . 1 . 1 59 59 GLY C C 13 175.390 0.029 . 1 . . . . . 59 GLY C . 27260 1 280 . 1 . 1 59 59 GLY CA C 13 46.841 0.025 . 1 . . . . . 59 GLY CA . 27260 1 281 . 1 . 1 59 59 GLY N N 15 109.184 0.005 . 1 . . . . . 59 GLY N . 27260 1 282 . 1 . 1 60 60 ASN H H 1 9.258 0.003 . 1 . . . . . 60 ASN H . 27260 1 283 . 1 . 1 60 60 ASN C C 13 177.056 0.010 . 1 . . . . . 60 ASN C . 27260 1 284 . 1 . 1 60 60 ASN CA C 13 54.286 0.019 . 1 . . . . . 60 ASN CA . 27260 1 285 . 1 . 1 60 60 ASN CB C 13 39.383 0.032 . 1 . . . . . 60 ASN CB . 27260 1 286 . 1 . 1 60 60 ASN N N 15 119.973 0.016 . 1 . . . . . 60 ASN N . 27260 1 287 . 1 . 1 61 61 GLY H H 1 9.934 0.004 . 1 . . . . . 61 GLY H . 27260 1 288 . 1 . 1 61 61 GLY C C 13 174.575 0.037 . 1 . . . . . 61 GLY C . 27260 1 289 . 1 . 1 61 61 GLY CA C 13 45.917 0.026 . 1 . . . . . 61 GLY CA . 27260 1 290 . 1 . 1 61 61 GLY N N 15 110.255 0.006 . 1 . . . . . 61 GLY N . 27260 1 291 . 1 . 1 62 62 THR H H 1 7.573 0.002 . 1 . . . . . 62 THR H . 27260 1 292 . 1 . 1 62 62 THR C C 13 172.781 0.055 . 1 . . . . . 62 THR C . 27260 1 293 . 1 . 1 62 62 THR CA C 13 59.770 0.008 . 1 . . . . . 62 THR CA . 27260 1 294 . 1 . 1 62 62 THR CB C 13 72.544 0.023 . 1 . . . . . 62 THR CB . 27260 1 295 . 1 . 1 62 62 THR N N 15 111.069 0.004 . 1 . . . . . 62 THR N . 27260 1 296 . 1 . 1 63 63 ILE H H 1 8.907 0.002 . 1 . . . . . 63 ILE H . 27260 1 297 . 1 . 1 63 63 ILE C C 13 174.429 0.024 . 1 . . . . . 63 ILE C . 27260 1 298 . 1 . 1 63 63 ILE CA C 13 59.984 0.084 . 1 . . . . . 63 ILE CA . 27260 1 299 . 1 . 1 63 63 ILE CB C 13 41.901 0.010 . 1 . . . . . 63 ILE CB . 27260 1 300 . 1 . 1 63 63 ILE N N 15 119.034 0.005 . 1 . . . . . 63 ILE N . 27260 1 301 . 1 . 1 64 64 ASP H H 1 8.484 0.003 . 1 . . . . . 64 ASP H . 27260 1 302 . 1 . 1 64 64 ASP C C 13 176.172 0.009 . 1 . . . . . 64 ASP C . 27260 1 303 . 1 . 1 64 64 ASP CA C 13 51.974 0.012 . 1 . . . . . 64 ASP CA . 27260 1 304 . 1 . 1 64 64 ASP CB C 13 42.169 0.039 . 1 . . . . . 64 ASP CB . 27260 1 305 . 1 . 1 64 64 ASP N N 15 124.510 0.005 . 1 . . . . . 64 ASP N . 27260 1 306 . 1 . 1 65 65 PHE H H 1 8.656 0.004 . 1 . . . . . 65 PHE H . 27260 1 307 . 1 . 1 65 65 PHE C C 13 173.580 0.000 . 1 . . . . . 65 PHE C . 27260 1 308 . 1 . 1 65 65 PHE CA C 13 62.904 0.000 . 1 . . . . . 65 PHE CA . 27260 1 309 . 1 . 1 65 65 PHE CB C 13 36.573 0.000 . 1 . . . . . 65 PHE CB . 27260 1 310 . 1 . 1 65 65 PHE N N 15 118.905 0.009 . 1 . . . . . 65 PHE N . 27260 1 311 . 1 . 1 66 66 PRO C C 13 179.961 0.045 . 1 . . . . . 66 PRO C . 27260 1 312 . 1 . 1 66 66 PRO CA C 13 66.491 0.023 . 1 . . . . . 66 PRO CA . 27260 1 313 . 1 . 1 66 66 PRO CB C 13 30.899 0.000 . 1 . . . . . 66 PRO CB . 27260 1 314 . 1 . 1 67 67 GLU H H 1 8.083 0.002 . 1 . . . . . 67 GLU H . 27260 1 315 . 1 . 1 67 67 GLU C C 13 179.086 0.028 . 1 . . . . . 67 GLU C . 27260 1 316 . 1 . 1 67 67 GLU CA C 13 59.272 0.027 . 1 . . . . . 67 GLU CA . 27260 1 317 . 1 . 1 67 67 GLU CB C 13 29.551 0.057 . 1 . . . . . 67 GLU CB . 27260 1 318 . 1 . 1 67 67 GLU N N 15 117.823 0.005 . 1 . . . . . 67 GLU N . 27260 1 319 . 1 . 1 68 68 PHE H H 1 8.482 0.005 . 1 . . . . . 68 PHE H . 27260 1 320 . 1 . 1 68 68 PHE C C 13 176.810 0.009 . 1 . . . . . 68 PHE C . 27260 1 321 . 1 . 1 68 68 PHE CA C 13 61.495 0.018 . 1 . . . . . 68 PHE CA . 27260 1 322 . 1 . 1 68 68 PHE CB C 13 39.585 0.030 . 1 . . . . . 68 PHE CB . 27260 1 323 . 1 . 1 68 68 PHE N N 15 122.785 0.011 . 1 . . . . . 68 PHE N . 27260 1 324 . 1 . 1 69 69 LEU H H 1 8.466 0.003 . 1 . . . . . 69 LEU H . 27260 1 325 . 1 . 1 69 69 LEU C C 13 179.427 0.030 . 1 . . . . . 69 LEU C . 27260 1 326 . 1 . 1 69 69 LEU CA C 13 57.828 0.053 . 1 . . . . . 69 LEU CA . 27260 1 327 . 1 . 1 69 69 LEU CB C 13 41.183 0.084 . 1 . . . . . 69 LEU CB . 27260 1 328 . 1 . 1 69 69 LEU N N 15 118.751 0.003 . 1 . . . . . 69 LEU N . 27260 1 329 . 1 . 1 70 70 THR H H 1 7.738 0.005 . 1 . . . . . 70 THR H . 27260 1 330 . 1 . 1 70 70 THR C C 13 176.642 0.000 . 1 . . . . . 70 THR C . 27260 1 331 . 1 . 1 70 70 THR CA C 13 66.543 0.032 . 1 . . . . . 70 THR CA . 27260 1 332 . 1 . 1 70 70 THR CB C 13 68.421 0.057 . 1 . . . . . 70 THR CB . 27260 1 333 . 1 . 1 70 70 THR N N 15 115.785 0.014 . 1 . . . . . 70 THR N . 27260 1 334 . 1 . 1 71 71 MET H H 1 7.758 0.003 . 1 . . . . . 71 MET H . 27260 1 335 . 1 . 1 71 71 MET C C 13 178.666 0.027 . 1 . . . . . 71 MET C . 27260 1 336 . 1 . 1 71 71 MET CA C 13 59.058 0.072 . 1 . . . . . 71 MET CA . 27260 1 337 . 1 . 1 71 71 MET CB C 13 32.453 0.014 . 1 . . . . . 71 MET CB . 27260 1 338 . 1 . 1 71 71 MET N N 15 121.695 0.013 . 1 . . . . . 71 MET N . 27260 1 339 . 1 . 1 72 72 MET H H 1 8.035 0.003 . 1 . . . . . 72 MET H . 27260 1 340 . 1 . 1 72 72 MET C C 13 178.657 0.025 . 1 . . . . . 72 MET C . 27260 1 341 . 1 . 1 72 72 MET CA C 13 55.964 0.093 . 1 . . . . . 72 MET CA . 27260 1 342 . 1 . 1 72 72 MET CB C 13 30.961 0.065 . 1 . . . . . 72 MET CB . 27260 1 343 . 1 . 1 72 72 MET N N 15 117.809 0.009 . 1 . . . . . 72 MET N . 27260 1 344 . 1 . 1 73 73 ALA H H 1 8.317 0.004 . 1 . . . . . 73 ALA H . 27260 1 345 . 1 . 1 73 73 ALA C C 13 179.910 0.034 . 1 . . . . . 73 ALA C . 27260 1 346 . 1 . 1 73 73 ALA CA C 13 54.965 0.034 . 1 . . . . . 73 ALA CA . 27260 1 347 . 1 . 1 73 73 ALA CB C 13 18.198 0.048 . 1 . . . . . 73 ALA CB . 27260 1 348 . 1 . 1 73 73 ALA N N 15 121.463 0.012 . 1 . . . . . 73 ALA N . 27260 1 349 . 1 . 1 74 74 ARG H H 1 7.475 0.002 . 1 . . . . . 74 ARG H . 27260 1 350 . 1 . 1 74 74 ARG C C 13 178.279 0.029 . 1 . . . . . 74 ARG C . 27260 1 351 . 1 . 1 74 74 ARG CA C 13 58.694 0.015 . 1 . . . . . 74 ARG CA . 27260 1 352 . 1 . 1 74 74 ARG CB C 13 30.332 0.008 . 1 . . . . . 74 ARG CB . 27260 1 353 . 1 . 1 74 74 ARG N N 15 116.774 0.007 . 1 . . . . . 74 ARG N . 27260 1 354 . 1 . 1 75 75 LYS H H 1 7.711 0.003 . 1 . . . . . 75 LYS H . 27260 1 355 . 1 . 1 75 75 LYS C C 13 177.841 0.017 . 1 . . . . . 75 LYS C . 27260 1 356 . 1 . 1 75 75 LYS CA C 13 56.789 0.008 . 1 . . . . . 75 LYS CA . 27260 1 357 . 1 . 1 75 75 LYS CB C 13 32.002 0.009 . 1 . . . . . 75 LYS CB . 27260 1 358 . 1 . 1 75 75 LYS N N 15 118.427 0.006 . 1 . . . . . 75 LYS N . 27260 1 359 . 1 . 1 76 76 MET H H 1 7.914 0.002 . 1 . . . . . 76 MET H . 27260 1 360 . 1 . 1 76 76 MET C C 13 176.570 0.000 . 1 . . . . . 76 MET C . 27260 1 361 . 1 . 1 76 76 MET CA C 13 56.435 0.000 . 1 . . . . . 76 MET CA . 27260 1 362 . 1 . 1 76 76 MET CB C 13 33.075 0.000 . 1 . . . . . 76 MET CB . 27260 1 363 . 1 . 1 76 76 MET N N 15 117.499 0.008 . 1 . . . . . 76 MET N . 27260 1 364 . 1 . 1 77 77 LYS H H 1 7.667 0.002 . 1 . . . . . 77 LYS H . 27260 1 365 . 1 . 1 77 77 LYS C C 13 176.383 0.007 . 1 . . . . . 77 LYS C . 27260 1 366 . 1 . 1 77 77 LYS CA C 13 56.850 0.020 . 1 . . . . . 77 LYS CA . 27260 1 367 . 1 . 1 77 77 LYS CB C 13 33.089 0.059 . 1 . . . . . 77 LYS CB . 27260 1 368 . 1 . 1 77 77 LYS N N 15 120.626 0.010 . 1 . . . . . 77 LYS N . 27260 1 369 . 1 . 1 78 78 ASP H H 1 8.281 0.004 . 1 . . . . . 78 ASP H . 27260 1 370 . 1 . 1 78 78 ASP C C 13 176.196 0.020 . 1 . . . . . 78 ASP C . 27260 1 371 . 1 . 1 78 78 ASP CA C 13 54.564 0.033 . 1 . . . . . 78 ASP CA . 27260 1 372 . 1 . 1 78 78 ASP CB C 13 41.179 0.010 . 1 . . . . . 78 ASP CB . 27260 1 373 . 1 . 1 78 78 ASP N N 15 121.847 0.023 . 1 . . . . . 78 ASP N . 27260 1 374 . 1 . 1 79 79 THR H H 1 7.948 0.002 . 1 . . . . . 79 THR H . 27260 1 375 . 1 . 1 79 79 THR C C 13 173.863 0.044 . 1 . . . . . 79 THR C . 27260 1 376 . 1 . 1 79 79 THR CA C 13 61.905 0.039 . 1 . . . . . 79 THR CA . 27260 1 377 . 1 . 1 79 79 THR CB C 13 70.068 0.022 . 1 . . . . . 79 THR CB . 27260 1 378 . 1 . 1 79 79 THR N N 15 114.038 0.006 . 1 . . . . . 79 THR N . 27260 1 379 . 1 . 1 80 80 ASP H H 1 8.275 0.002 . 1 . . . . . 80 ASP H . 27260 1 380 . 1 . 1 80 80 ASP C C 13 175.699 0.018 . 1 . . . . . 80 ASP C . 27260 1 381 . 1 . 1 80 80 ASP CA C 13 54.423 0.013 . 1 . . . . . 80 ASP CA . 27260 1 382 . 1 . 1 80 80 ASP CB C 13 42.027 0.052 . 1 . . . . . 80 ASP CB . 27260 1 383 . 1 . 1 80 80 ASP N N 15 122.626 0.004 . 1 . . . . . 80 ASP N . 27260 1 384 . 1 . 1 81 81 SER H H 1 8.599 0.002 . 1 . . . . . 81 SER H . 27260 1 385 . 1 . 1 81 81 SER C C 13 174.959 0.000 . 1 . . . . . 81 SER C . 27260 1 386 . 1 . 1 81 81 SER CA C 13 58.309 0.038 . 1 . . . . . 81 SER CA . 27260 1 387 . 1 . 1 81 81 SER CB C 13 64.555 0.011 . 1 . . . . . 81 SER CB . 27260 1 388 . 1 . 1 81 81 SER N N 15 117.344 0.016 . 1 . . . . . 81 SER N . 27260 1 389 . 1 . 1 82 82 GLU H H 1 8.876 0.003 . 1 . . . . . 82 GLU H . 27260 1 390 . 1 . 1 82 82 GLU C C 13 177.755 0.000 . 1 . . . . . 82 GLU C . 27260 1 391 . 1 . 1 82 82 GLU CA C 13 60.189 0.001 . 1 . . . . . 82 GLU CA . 27260 1 392 . 1 . 1 82 82 GLU CB C 13 29.853 0.002 . 1 . . . . . 82 GLU CB . 27260 1 393 . 1 . 1 82 82 GLU N N 15 122.890 0.005 . 1 . . . . . 82 GLU N . 27260 1 394 . 1 . 1 83 83 GLU H H 1 8.399 0.002 . 1 . . . . . 83 GLU H . 27260 1 395 . 1 . 1 83 83 GLU C C 13 178.573 0.006 . 1 . . . . . 83 GLU C . 27260 1 396 . 1 . 1 83 83 GLU CA C 13 57.803 0.000 . 1 . . . . . 83 GLU CA . 27260 1 397 . 1 . 1 83 83 GLU CB C 13 29.675 0.000 . 1 . . . . . 83 GLU CB . 27260 1 398 . 1 . 1 83 83 GLU N N 15 117.766 0.015 . 1 . . . . . 83 GLU N . 27260 1 399 . 1 . 1 84 84 GLU H H 1 7.828 0.005 . 1 . . . . . 84 GLU H . 27260 1 400 . 1 . 1 84 84 GLU C C 13 179.736 0.000 . 1 . . . . . 84 GLU C . 27260 1 401 . 1 . 1 84 84 GLU CA C 13 59.200 0.000 . 1 . . . . . 84 GLU CA . 27260 1 402 . 1 . 1 84 84 GLU CB C 13 29.824 0.000 . 1 . . . . . 84 GLU CB . 27260 1 403 . 1 . 1 84 84 GLU N N 15 119.113 0.011 . 1 . . . . . 84 GLU N . 27260 1 404 . 1 . 1 85 85 ILE H H 1 8.093 0.003 . 1 . . . . . 85 ILE H . 27260 1 405 . 1 . 1 85 85 ILE C C 13 177.640 0.000 . 1 . . . . . 85 ILE C . 27260 1 406 . 1 . 1 85 85 ILE CA C 13 65.051 0.014 . 1 . . . . . 85 ILE CA . 27260 1 407 . 1 . 1 85 85 ILE CB C 13 38.051 0.007 . 1 . . . . . 85 ILE CB . 27260 1 408 . 1 . 1 85 85 ILE N N 15 120.022 0.013 . 1 . . . . . 85 ILE N . 27260 1 409 . 1 . 1 86 86 ARG H H 1 8.494 0.003 . 1 . . . . . 86 ARG H . 27260 1 410 . 1 . 1 86 86 ARG C C 13 178.368 0.031 . 1 . . . . . 86 ARG C . 27260 1 411 . 1 . 1 86 86 ARG CA C 13 61.481 0.003 . 1 . . . . . 86 ARG CA . 27260 1 412 . 1 . 1 86 86 ARG CB C 13 30.633 0.038 . 1 . . . . . 86 ARG CB . 27260 1 413 . 1 . 1 86 86 ARG N N 15 120.421 0.007 . 1 . . . . . 86 ARG N . 27260 1 414 . 1 . 1 87 87 GLU H H 1 8.416 0.002 . 1 . . . . . 87 GLU H . 27260 1 415 . 1 . 1 87 87 GLU C C 13 178.301 0.029 . 1 . . . . . 87 GLU C . 27260 1 416 . 1 . 1 87 87 GLU CA C 13 58.957 0.052 . 1 . . . . . 87 GLU CA . 27260 1 417 . 1 . 1 87 87 GLU CB C 13 29.434 0.040 . 1 . . . . . 87 GLU CB . 27260 1 418 . 1 . 1 87 87 GLU N N 15 116.593 0.004 . 1 . . . . . 87 GLU N . 27260 1 419 . 1 . 1 88 88 ALA H H 1 7.563 0.003 . 1 . . . . . 88 ALA H . 27260 1 420 . 1 . 1 88 88 ALA C C 13 178.907 0.016 . 1 . . . . . 88 ALA C . 27260 1 421 . 1 . 1 88 88 ALA CA C 13 55.222 0.036 . 1 . . . . . 88 ALA CA . 27260 1 422 . 1 . 1 88 88 ALA CB C 13 18.473 0.066 . 1 . . . . . 88 ALA CB . 27260 1 423 . 1 . 1 88 88 ALA N N 15 122.123 0.013 . 1 . . . . . 88 ALA N . 27260 1 424 . 1 . 1 89 89 PHE H H 1 7.694 0.003 . 1 . . . . . 89 PHE H . 27260 1 425 . 1 . 1 89 89 PHE C C 13 178.999 0.000 . 1 . . . . . 89 PHE C . 27260 1 426 . 1 . 1 89 89 PHE CA C 13 63.061 0.016 . 1 . . . . . 89 PHE CA . 27260 1 427 . 1 . 1 89 89 PHE CB C 13 39.931 0.055 . 1 . . . . . 89 PHE CB . 27260 1 428 . 1 . 1 89 89 PHE N N 15 114.139 0.007 . 1 . . . . . 89 PHE N . 27260 1 429 . 1 . 1 90 90 ARG H H 1 8.043 0.005 . 1 . . . . . 90 ARG H . 27260 1 430 . 1 . 1 90 90 ARG C C 13 178.999 0.029 . 1 . . . . . 90 ARG C . 27260 1 431 . 1 . 1 90 90 ARG CA C 13 59.549 0.069 . 1 . . . . . 90 ARG CA . 27260 1 432 . 1 . 1 90 90 ARG CB C 13 30.257 0.065 . 1 . . . . . 90 ARG CB . 27260 1 433 . 1 . 1 90 90 ARG N N 15 117.530 0.004 . 1 . . . . . 90 ARG N . 27260 1 434 . 1 . 1 91 91 VAL H H 1 7.073 0.003 . 1 . . . . . 91 VAL H . 27260 1 435 . 1 . 1 91 91 VAL C C 13 176.612 0.008 . 1 . . . . . 91 VAL C . 27260 1 436 . 1 . 1 91 91 VAL CA C 13 65.619 0.020 . 1 . . . . . 91 VAL CA . 27260 1 437 . 1 . 1 91 91 VAL CB C 13 31.609 0.030 . 1 . . . . . 91 VAL CB . 27260 1 438 . 1 . 1 91 91 VAL N N 15 119.098 0.008 . 1 . . . . . 91 VAL N . 27260 1 439 . 1 . 1 92 92 PHE H H 1 7.275 0.002 . 1 . . . . . 92 PHE H . 27260 1 440 . 1 . 1 92 92 PHE C C 13 174.243 0.037 . 1 . . . . . 92 PHE C . 27260 1 441 . 1 . 1 92 92 PHE CA C 13 58.073 0.026 . 1 . . . . . 92 PHE CA . 27260 1 442 . 1 . 1 92 92 PHE CB C 13 39.595 0.087 . 1 . . . . . 92 PHE CB . 27260 1 443 . 1 . 1 92 92 PHE N N 15 116.549 0.018 . 1 . . . . . 92 PHE N . 27260 1 444 . 1 . 1 93 93 ASP H H 1 7.512 0.002 . 1 . . . . . 93 ASP H . 27260 1 445 . 1 . 1 93 93 ASP C C 13 176.185 0.000 . 1 . . . . . 93 ASP C . 27260 1 446 . 1 . 1 93 93 ASP CA C 13 52.447 0.059 . 1 . . . . . 93 ASP CA . 27260 1 447 . 1 . 1 93 93 ASP CB C 13 40.698 0.000 . 1 . . . . . 93 ASP CB . 27260 1 448 . 1 . 1 93 93 ASP N N 15 120.612 0.002 . 1 . . . . . 93 ASP N . 27260 1 449 . 1 . 1 94 94 LYS H H 1 8.422 0.002 . 1 . . . . . 94 LYS H . 27260 1 450 . 1 . 1 94 94 LYS C C 13 178.215 0.027 . 1 . . . . . 94 LYS C . 27260 1 451 . 1 . 1 94 94 LYS CA C 13 58.779 0.009 . 1 . . . . . 94 LYS CA . 27260 1 452 . 1 . 1 94 94 LYS CB C 13 32.565 0.017 . 1 . . . . . 94 LYS CB . 27260 1 453 . 1 . 1 94 94 LYS N N 15 125.006 0.010 . 1 . . . . . 94 LYS N . 27260 1 454 . 1 . 1 95 95 ASP H H 1 8.499 0.002 . 1 . . . . . 95 ASP H . 27260 1 455 . 1 . 1 95 95 ASP C C 13 177.028 0.007 . 1 . . . . . 95 ASP C . 27260 1 456 . 1 . 1 95 95 ASP CA C 13 55.240 0.046 . 1 . . . . . 95 ASP CA . 27260 1 457 . 1 . 1 95 95 ASP CB C 13 41.518 0.003 . 1 . . . . . 95 ASP CB . 27260 1 458 . 1 . 1 95 95 ASP N N 15 117.032 0.008 . 1 . . . . . 95 ASP N . 27260 1 459 . 1 . 1 96 96 GLY H H 1 8.249 0.002 . 1 . . . . . 96 GLY H . 27260 1 460 . 1 . 1 96 96 GLY C C 13 175.065 0.021 . 1 . . . . . 96 GLY C . 27260 1 461 . 1 . 1 96 96 GLY CA C 13 46.807 0.042 . 1 . . . . . 96 GLY CA . 27260 1 462 . 1 . 1 96 96 GLY N N 15 109.565 0.006 . 1 . . . . . 96 GLY N . 27260 1 463 . 1 . 1 97 97 ASN H H 1 8.804 0.002 . 1 . . . . . 97 ASN H . 27260 1 464 . 1 . 1 97 97 ASN C C 13 175.961 0.024 . 1 . . . . . 97 ASN C . 27260 1 465 . 1 . 1 97 97 ASN CA C 13 53.424 0.033 . 1 . . . . . 97 ASN CA . 27260 1 466 . 1 . 1 97 97 ASN CB C 13 39.689 0.018 . 1 . . . . . 97 ASN CB . 27260 1 467 . 1 . 1 97 97 ASN N N 15 118.034 0.003 . 1 . . . . . 97 ASN N . 27260 1 468 . 1 . 1 98 98 GLY H H 1 9.641 0.003 . 1 . . . . . 98 GLY H . 27260 1 469 . 1 . 1 98 98 GLY C C 13 172.414 0.000 . 1 . . . . . 98 GLY C . 27260 1 470 . 1 . 1 98 98 GLY CA C 13 45.380 0.057 . 1 . . . . . 98 GLY CA . 27260 1 471 . 1 . 1 98 98 GLY N N 15 109.686 0.010 . 1 . . . . . 98 GLY N . 27260 1 472 . 1 . 1 99 99 TYR H H 1 7.913 0.003 . 1 . . . . . 99 TYR H . 27260 1 473 . 1 . 1 99 99 TYR C C 13 174.782 0.031 . 1 . . . . . 99 TYR C . 27260 1 474 . 1 . 1 99 99 TYR CA C 13 56.015 0.036 . 1 . . . . . 99 TYR CA . 27260 1 475 . 1 . 1 99 99 TYR CB C 13 42.252 0.056 . 1 . . . . . 99 TYR CB . 27260 1 476 . 1 . 1 99 99 TYR N N 15 117.295 0.005 . 1 . . . . . 99 TYR N . 27260 1 477 . 1 . 1 100 100 ILE H H 1 8.741 0.002 . 1 . . . . . 100 ILE H . 27260 1 478 . 1 . 1 100 100 ILE C C 13 174.282 0.045 . 1 . . . . . 100 ILE C . 27260 1 479 . 1 . 1 100 100 ILE CA C 13 59.586 0.034 . 1 . . . . . 100 ILE CA . 27260 1 480 . 1 . 1 100 100 ILE CB C 13 43.185 0.071 . 1 . . . . . 100 ILE CB . 27260 1 481 . 1 . 1 100 100 ILE N N 15 116.825 0.005 . 1 . . . . . 100 ILE N . 27260 1 482 . 1 . 1 101 101 SER H H 1 9.159 0.002 . 1 . . . . . 101 SER H . 27260 1 483 . 1 . 1 101 101 SER C C 13 175.533 0.000 . 1 . . . . . 101 SER C . 27260 1 484 . 1 . 1 101 101 SER CA C 13 58.616 0.047 . 1 . . . . . 101 SER CA . 27260 1 485 . 1 . 1 101 101 SER CB C 13 63.999 0.038 . 1 . . . . . 101 SER CB . 27260 1 486 . 1 . 1 101 101 SER N N 15 123.402 0.015 . 1 . . . . . 101 SER N . 27260 1 487 . 1 . 1 102 102 ALA H H 1 9.040 0.003 . 1 . . . . . 102 ALA H . 27260 1 488 . 1 . 1 102 102 ALA C C 13 179.472 0.039 . 1 . . . . . 102 ALA C . 27260 1 489 . 1 . 1 102 102 ALA CA C 13 55.703 0.045 . 1 . . . . . 102 ALA CA . 27260 1 490 . 1 . 1 102 102 ALA CB C 13 18.124 0.001 . 1 . . . . . 102 ALA CB . 27260 1 491 . 1 . 1 102 102 ALA N N 15 127.567 0.008 . 1 . . . . . 102 ALA N . 27260 1 492 . 1 . 1 103 103 ALA H H 1 8.458 0.003 . 1 . . . . . 103 ALA H . 27260 1 493 . 1 . 1 103 103 ALA C C 13 180.982 0.045 . 1 . . . . . 103 ALA C . 27260 1 494 . 1 . 1 103 103 ALA CA C 13 55.299 0.015 . 1 . . . . . 103 ALA CA . 27260 1 495 . 1 . 1 103 103 ALA CB C 13 18.500 0.054 . 1 . . . . . 103 ALA CB . 27260 1 496 . 1 . 1 103 103 ALA N N 15 119.563 0.007 . 1 . . . . . 103 ALA N . 27260 1 497 . 1 . 1 104 104 GLU H H 1 7.947 0.003 . 1 . . . . . 104 GLU H . 27260 1 498 . 1 . 1 104 104 GLU C C 13 178.599 0.017 . 1 . . . . . 104 GLU C . 27260 1 499 . 1 . 1 104 104 GLU CA C 13 58.984 0.026 . 1 . . . . . 104 GLU CA . 27260 1 500 . 1 . 1 104 104 GLU CB C 13 29.576 0.006 . 1 . . . . . 104 GLU CB . 27260 1 501 . 1 . 1 104 104 GLU N N 15 121.069 0.010 . 1 . . . . . 104 GLU N . 27260 1 502 . 1 . 1 105 105 LEU H H 1 8.687 0.002 . 1 . . . . . 105 LEU H . 27260 1 503 . 1 . 1 105 105 LEU C C 13 178.004 0.000 . 1 . . . . . 105 LEU C . 27260 1 504 . 1 . 1 105 105 LEU CA C 13 57.880 0.010 . 1 . . . . . 105 LEU CA . 27260 1 505 . 1 . 1 105 105 LEU CB C 13 41.461 0.009 . 1 . . . . . 105 LEU CB . 27260 1 506 . 1 . 1 105 105 LEU N N 15 120.098 0.009 . 1 . . . . . 105 LEU N . 27260 1 507 . 1 . 1 106 106 ARG H H 1 8.399 0.004 . 1 . . . . . 106 ARG H . 27260 1 508 . 1 . 1 106 106 ARG C C 13 178.506 0.029 . 1 . . . . . 106 ARG C . 27260 1 509 . 1 . 1 106 106 ARG CA C 13 59.795 0.024 . 1 . . . . . 106 ARG CA . 27260 1 510 . 1 . 1 106 106 ARG CB C 13 30.023 0.063 . 1 . . . . . 106 ARG CB . 27260 1 511 . 1 . 1 106 106 ARG N N 15 117.769 0.007 . 1 . . . . . 106 ARG N . 27260 1 512 . 1 . 1 107 107 HIS H H 1 7.768 0.002 . 1 . . . . . 107 HIS H . 27260 1 513 . 1 . 1 107 107 HIS C C 13 177.693 0.006 . 1 . . . . . 107 HIS C . 27260 1 514 . 1 . 1 107 107 HIS CA C 13 60.449 0.070 . 1 . . . . . 107 HIS CA . 27260 1 515 . 1 . 1 107 107 HIS CB C 13 30.129 0.052 . 1 . . . . . 107 HIS CB . 27260 1 516 . 1 . 1 107 107 HIS N N 15 119.297 0.003 . 1 . . . . . 107 HIS N . 27260 1 517 . 1 . 1 108 108 VAL H H 1 8.601 0.003 . 1 . . . . . 108 VAL H . 27260 1 518 . 1 . 1 108 108 VAL C C 13 177.685 0.000 . 1 . . . . . 108 VAL C . 27260 1 519 . 1 . 1 108 108 VAL CA C 13 66.192 0.048 . 1 . . . . . 108 VAL CA . 27260 1 520 . 1 . 1 108 108 VAL CB C 13 32.012 0.055 . 1 . . . . . 108 VAL CB . 27260 1 521 . 1 . 1 108 108 VAL N N 15 118.060 0.004 . 1 . . . . . 108 VAL N . 27260 1 522 . 1 . 1 109 109 MET H H 1 8.228 0.003 . 1 . . . . . 109 MET H . 27260 1 523 . 1 . 1 109 109 MET C C 13 178.225 0.015 . 1 . . . . . 109 MET C . 27260 1 524 . 1 . 1 109 109 MET CA C 13 56.389 0.052 . 1 . . . . . 109 MET CA . 27260 1 525 . 1 . 1 109 109 MET CB C 13 36.975 0.054 . 1 . . . . . 109 MET CB . 27260 1 526 . 1 . 1 109 109 MET N N 15 112.089 0.017 . 1 . . . . . 109 MET N . 27260 1 527 . 1 . 1 110 110 THR H H 1 7.529 0.003 . 1 . . . . . 110 THR H . 27260 1 528 . 1 . 1 110 110 THR C C 13 175.068 0.045 . 1 . . . . . 110 THR C . 27260 1 529 . 1 . 1 110 110 THR CA C 13 62.163 0.030 . 1 . . . . . 110 THR CA . 27260 1 530 . 1 . 1 110 110 THR CB C 13 70.768 0.056 . 1 . . . . . 110 THR CB . 27260 1 531 . 1 . 1 110 110 THR N N 15 104.649 0.008 . 1 . . . . . 110 THR N . 27260 1 532 . 1 . 1 111 111 ASN H H 1 7.412 0.002 . 1 . . . . . 111 ASN H . 27260 1 533 . 1 . 1 111 111 ASN C C 13 173.611 0.045 . 1 . . . . . 111 ASN C . 27260 1 534 . 1 . 1 111 111 ASN CA C 13 54.778 0.072 . 1 . . . . . 111 ASN CA . 27260 1 535 . 1 . 1 111 111 ASN CB C 13 41.340 0.055 . 1 . . . . . 111 ASN CB . 27260 1 536 . 1 . 1 111 111 ASN N N 15 116.271 0.010 . 1 . . . . . 111 ASN N . 27260 1 537 . 1 . 1 112 112 LEU H H 1 7.553 0.002 . 1 . . . . . 112 LEU H . 27260 1 538 . 1 . 1 112 112 LEU C C 13 176.644 0.020 . 1 . . . . . 112 LEU C . 27260 1 539 . 1 . 1 112 112 LEU CA C 13 53.541 0.030 . 1 . . . . . 112 LEU CA . 27260 1 540 . 1 . 1 112 112 LEU CB C 13 45.524 0.068 . 1 . . . . . 112 LEU CB . 27260 1 541 . 1 . 1 112 112 LEU N N 15 120.251 0.004 . 1 . . . . . 112 LEU N . 27260 1 542 . 1 . 1 113 113 GLY H H 1 9.141 0.008 . 1 . . . . . 113 GLY H . 27260 1 543 . 1 . 1 113 113 GLY C C 13 175.687 0.019 . 1 . . . . . 113 GLY C . 27260 1 544 . 1 . 1 113 113 GLY CA C 13 47.657 0.023 . 1 . . . . . 113 GLY CA . 27260 1 545 . 1 . 1 113 113 GLY N N 15 106.259 0.013 . 1 . . . . . 113 GLY N . 27260 1 546 . 1 . 1 114 114 GLU H H 1 9.137 0.004 . 1 . . . . . 114 GLU H . 27260 1 547 . 1 . 1 114 114 GLU C C 13 175.456 0.026 . 1 . . . . . 114 GLU C . 27260 1 548 . 1 . 1 114 114 GLU CA C 13 55.578 0.036 . 1 . . . . . 114 GLU CA . 27260 1 549 . 1 . 1 114 114 GLU CB C 13 27.804 0.050 . 1 . . . . . 114 GLU CB . 27260 1 550 . 1 . 1 114 114 GLU N N 15 129.493 0.008 . 1 . . . . . 114 GLU N . 27260 1 551 . 1 . 1 115 115 LYS H H 1 6.881 0.003 . 1 . . . . . 115 LYS H . 27260 1 552 . 1 . 1 115 115 LYS C C 13 177.487 0.019 . 1 . . . . . 115 LYS C . 27260 1 553 . 1 . 1 115 115 LYS CA C 13 58.464 0.019 . 1 . . . . . 115 LYS CA . 27260 1 554 . 1 . 1 115 115 LYS CB C 13 33.172 0.081 . 1 . . . . . 115 LYS CB . 27260 1 555 . 1 . 1 115 115 LYS N N 15 114.908 0.010 . 1 . . . . . 115 LYS N . 27260 1 556 . 1 . 1 116 116 LEU H H 1 8.397 0.004 . 1 . . . . . 116 LEU H . 27260 1 557 . 1 . 1 116 116 LEU C C 13 177.563 0.038 . 1 . . . . . 116 LEU C . 27260 1 558 . 1 . 1 116 116 LEU CA C 13 54.265 0.054 . 1 . . . . . 116 LEU CA . 27260 1 559 . 1 . 1 116 116 LEU CB C 13 42.384 0.042 . 1 . . . . . 116 LEU CB . 27260 1 560 . 1 . 1 116 116 LEU N N 15 121.993 0.008 . 1 . . . . . 116 LEU N . 27260 1 561 . 1 . 1 117 117 THR H H 1 9.127 0.004 . 1 . . . . . 117 THR H . 27260 1 562 . 1 . 1 117 117 THR C C 13 175.367 0.018 . 1 . . . . . 117 THR C . 27260 1 563 . 1 . 1 117 117 THR CA C 13 60.904 0.096 . 1 . . . . . 117 THR CA . 27260 1 564 . 1 . 1 117 117 THR CB C 13 71.180 0.016 . 1 . . . . . 117 THR CB . 27260 1 565 . 1 . 1 117 117 THR N N 15 111.548 0.011 . 1 . . . . . 117 THR N . 27260 1 566 . 1 . 1 118 118 ASP H H 1 8.729 0.002 . 1 . . . . . 118 ASP H . 27260 1 567 . 1 . 1 118 118 ASP C C 13 177.774 0.027 . 1 . . . . . 118 ASP C . 27260 1 568 . 1 . 1 118 118 ASP CA C 13 57.952 0.053 . 1 . . . . . 118 ASP CA . 27260 1 569 . 1 . 1 118 118 ASP CB C 13 40.509 0.041 . 1 . . . . . 118 ASP CB . 27260 1 570 . 1 . 1 118 118 ASP N N 15 120.501 0.008 . 1 . . . . . 118 ASP N . 27260 1 571 . 1 . 1 119 119 GLU H H 1 8.390 0.005 . 1 . . . . . 119 GLU H . 27260 1 572 . 1 . 1 119 119 GLU C C 13 179.594 0.019 . 1 . . . . . 119 GLU C . 27260 1 573 . 1 . 1 119 119 GLU CA C 13 59.805 0.030 . 1 . . . . . 119 GLU CA . 27260 1 574 . 1 . 1 119 119 GLU CB C 13 29.634 0.036 . 1 . . . . . 119 GLU CB . 27260 1 575 . 1 . 1 119 119 GLU N N 15 117.777 0.019 . 1 . . . . . 119 GLU N . 27260 1 576 . 1 . 1 120 120 GLU H H 1 7.772 0.001 . 1 . . . . . 120 GLU H . 27260 1 577 . 1 . 1 120 120 GLU C C 13 178.968 0.032 . 1 . . . . . 120 GLU C . 27260 1 578 . 1 . 1 120 120 GLU CA C 13 59.343 0.026 . 1 . . . . . 120 GLU CA . 27260 1 579 . 1 . 1 120 120 GLU CB C 13 32.424 0.068 . 1 . . . . . 120 GLU CB . 27260 1 580 . 1 . 1 120 120 GLU N N 15 119.074 0.001 . 1 . . . . . 120 GLU N . 27260 1 581 . 1 . 1 121 121 VAL H H 1 8.539 0.003 . 1 . . . . . 121 VAL H . 27260 1 582 . 1 . 1 121 121 VAL C C 13 176.485 0.024 . 1 . . . . . 121 VAL C . 27260 1 583 . 1 . 1 121 121 VAL CA C 13 65.060 0.025 . 1 . . . . . 121 VAL CA . 27260 1 584 . 1 . 1 121 121 VAL CB C 13 31.372 0.035 . 1 . . . . . 121 VAL CB . 27260 1 585 . 1 . 1 121 121 VAL N N 15 118.621 0.009 . 1 . . . . . 121 VAL N . 27260 1 586 . 1 . 1 122 122 ASP H H 1 8.230 0.002 . 1 . . . . . 122 ASP H . 27260 1 587 . 1 . 1 122 122 ASP C C 13 179.538 0.025 . 1 . . . . . 122 ASP C . 27260 1 588 . 1 . 1 122 122 ASP CA C 13 57.609 0.015 . 1 . . . . . 122 ASP CA . 27260 1 589 . 1 . 1 122 122 ASP CB C 13 40.154 0.014 . 1 . . . . . 122 ASP CB . 27260 1 590 . 1 . 1 122 122 ASP N N 15 122.733 0.009 . 1 . . . . . 122 ASP N . 27260 1 591 . 1 . 1 123 123 GLU H H 1 7.488 0.002 . 1 . . . . . 123 GLU H . 27260 1 592 . 1 . 1 123 123 GLU C C 13 177.848 0.017 . 1 . . . . . 123 GLU C . 27260 1 593 . 1 . 1 123 123 GLU CA C 13 59.229 0.053 . 1 . . . . . 123 GLU CA . 27260 1 594 . 1 . 1 123 123 GLU CB C 13 29.477 0.006 . 1 . . . . . 123 GLU CB . 27260 1 595 . 1 . 1 123 123 GLU N N 15 119.940 0.009 . 1 . . . . . 123 GLU N . 27260 1 596 . 1 . 1 124 124 MET H H 1 8.183 0.001 . 1 . . . . . 124 MET H . 27260 1 597 . 1 . 1 124 124 MET C C 13 177.837 0.013 . 1 . . . . . 124 MET C . 27260 1 598 . 1 . 1 124 124 MET CA C 13 60.050 0.005 . 1 . . . . . 124 MET CA . 27260 1 599 . 1 . 1 124 124 MET CB C 13 33.460 0.032 . 1 . . . . . 124 MET CB . 27260 1 600 . 1 . 1 124 124 MET N N 15 121.766 0.012 . 1 . . . . . 124 MET N . 27260 1 601 . 1 . 1 125 125 ILE H H 1 8.357 0.003 . 1 . . . . . 125 ILE H . 27260 1 602 . 1 . 1 125 125 ILE C C 13 177.638 0.020 . 1 . . . . . 125 ILE C . 27260 1 603 . 1 . 1 125 125 ILE CA C 13 63.547 0.003 . 1 . . . . . 125 ILE CA . 27260 1 604 . 1 . 1 125 125 ILE CB C 13 36.521 0.059 . 1 . . . . . 125 ILE CB . 27260 1 605 . 1 . 1 125 125 ILE N N 15 116.108 0.006 . 1 . . . . . 125 ILE N . 27260 1 606 . 1 . 1 126 126 ARG H H 1 7.730 0.003 . 1 . . . . . 126 ARG H . 27260 1 607 . 1 . 1 126 126 ARG C C 13 178.518 0.005 . 1 . . . . . 126 ARG C . 27260 1 608 . 1 . 1 126 126 ARG CA C 13 59.211 0.068 . 1 . . . . . 126 ARG CA . 27260 1 609 . 1 . 1 126 126 ARG CB C 13 30.271 0.084 . 1 . . . . . 126 ARG CB . 27260 1 610 . 1 . 1 126 126 ARG N N 15 119.526 0.008 . 1 . . . . . 126 ARG N . 27260 1 611 . 1 . 1 127 127 GLU H H 1 7.757 0.009 . 1 . . . . . 127 GLU H . 27260 1 612 . 1 . 1 127 127 GLU C C 13 176.624 0.000 . 1 . . . . . 127 GLU C . 27260 1 613 . 1 . 1 127 127 GLU CA C 13 58.053 0.025 . 1 . . . . . 127 GLU CA . 27260 1 614 . 1 . 1 127 127 GLU CB C 13 30.519 0.049 . 1 . . . . . 127 GLU CB . 27260 1 615 . 1 . 1 127 127 GLU N N 15 115.797 0.011 . 1 . . . . . 127 GLU N . 27260 1 616 . 1 . 1 128 128 ALA H H 1 7.911 0.001 . 1 . . . . . 128 ALA H . 27260 1 617 . 1 . 1 128 128 ALA C C 13 176.998 0.007 . 1 . . . . . 128 ALA C . 27260 1 618 . 1 . 1 128 128 ALA CA C 13 52.782 0.000 . 1 . . . . . 128 ALA CA . 27260 1 619 . 1 . 1 128 128 ALA CB C 13 19.721 0.000 . 1 . . . . . 128 ALA CB . 27260 1 620 . 1 . 1 128 128 ALA N N 15 119.993 0.009 . 1 . . . . . 128 ALA N . 27260 1 621 . 1 . 1 129 129 ASP H H 1 8.395 0.004 . 1 . . . . . 129 ASP H . 27260 1 622 . 1 . 1 129 129 ASP C C 13 176.058 0.008 . 1 . . . . . 129 ASP C . 27260 1 623 . 1 . 1 129 129 ASP CA C 13 53.214 0.028 . 1 . . . . . 129 ASP CA . 27260 1 624 . 1 . 1 129 129 ASP CB C 13 39.848 0.000 . 1 . . . . . 129 ASP CB . 27260 1 625 . 1 . 1 129 129 ASP N N 15 119.263 0.007 . 1 . . . . . 129 ASP N . 27260 1 626 . 1 . 1 130 130 ILE H H 1 7.863 0.002 . 1 . . . . . 130 ILE H . 27260 1 627 . 1 . 1 130 130 ILE C C 13 177.008 0.000 . 1 . . . . . 130 ILE C . 27260 1 628 . 1 . 1 130 130 ILE CA C 13 62.349 0.000 . 1 . . . . . 130 ILE CA . 27260 1 629 . 1 . 1 130 130 ILE CB C 13 39.563 0.000 . 1 . . . . . 130 ILE CB . 27260 1 630 . 1 . 1 130 130 ILE N N 15 122.605 0.013 . 1 . . . . . 130 ILE N . 27260 1 631 . 1 . 1 131 131 ASP C C 13 177.775 0.000 . 1 . . . . . 131 ASP C . 27260 1 632 . 1 . 1 131 131 ASP CA C 13 53.939 0.000 . 1 . . . . . 131 ASP CA . 27260 1 633 . 1 . 1 131 131 ASP CB C 13 41.508 0.000 . 1 . . . . . 131 ASP CB . 27260 1 634 . 1 . 1 132 132 GLY H H 1 8.238 0.004 . 1 . . . . . 132 GLY H . 27260 1 635 . 1 . 1 132 132 GLY C C 13 174.752 0.000 . 1 . . . . . 132 GLY C . 27260 1 636 . 1 . 1 132 132 GLY CA C 13 46.773 0.036 . 1 . . . . . 132 GLY CA . 27260 1 637 . 1 . 1 132 132 GLY N N 15 108.115 0.007 . 1 . . . . . 132 GLY N . 27260 1 638 . 1 . 1 133 133 ASP H H 1 8.404 0.001 . 1 . . . . . 133 ASP H . 27260 1 639 . 1 . 1 133 133 ASP C C 13 177.173 0.000 . 1 . . . . . 133 ASP C . 27260 1 640 . 1 . 1 133 133 ASP CA C 13 53.715 0.000 . 1 . . . . . 133 ASP CA . 27260 1 641 . 1 . 1 133 133 ASP CB C 13 41.560 0.000 . 1 . . . . . 133 ASP CB . 27260 1 642 . 1 . 1 133 133 ASP N N 15 119.761 0.004 . 1 . . . . . 133 ASP N . 27260 1 643 . 1 . 1 134 134 GLY C C 13 174.258 0.000 . 1 . . . . . 134 GLY C . 27260 1 644 . 1 . 1 134 134 GLY CA C 13 46.177 0.025 . 1 . . . . . 134 GLY CA . 27260 1 645 . 1 . 1 135 135 GLN H H 1 8.318 0.001 . 1 . . . . . 135 GLN H . 27260 1 646 . 1 . 1 135 135 GLN C C 13 174.242 0.035 . 1 . . . . . 135 GLN C . 27260 1 647 . 1 . 1 135 135 GLN CA C 13 54.798 0.057 . 1 . . . . . 135 GLN CA . 27260 1 648 . 1 . 1 135 135 GLN CB C 13 30.479 0.044 . 1 . . . . . 135 GLN CB . 27260 1 649 . 1 . 1 135 135 GLN N N 15 120.513 0.006 . 1 . . . . . 135 GLN N . 27260 1 650 . 1 . 1 136 136 VAL H H 1 9.016 0.004 . 1 . . . . . 136 VAL H . 27260 1 651 . 1 . 1 136 136 VAL C C 13 174.920 0.041 . 1 . . . . . 136 VAL C . 27260 1 652 . 1 . 1 136 136 VAL CA C 13 61.481 0.063 . 1 . . . . . 136 VAL CA . 27260 1 653 . 1 . 1 136 136 VAL CB C 13 33.376 0.012 . 1 . . . . . 136 VAL CB . 27260 1 654 . 1 . 1 136 136 VAL N N 15 121.025 0.008 . 1 . . . . . 136 VAL N . 27260 1 655 . 1 . 1 137 137 ASN H H 1 9.070 0.003 . 1 . . . . . 137 ASN H . 27260 1 656 . 1 . 1 137 137 ASN C C 13 176.019 0.024 . 1 . . . . . 137 ASN C . 27260 1 657 . 1 . 1 137 137 ASN CA C 13 51.898 0.091 . 1 . . . . . 137 ASN CA . 27260 1 658 . 1 . 1 137 137 ASN CB C 13 37.275 0.004 . 1 . . . . . 137 ASN CB . 27260 1 659 . 1 . 1 137 137 ASN N N 15 126.847 0.008 . 1 . . . . . 137 ASN N . 27260 1 660 . 1 . 1 138 138 TYR H H 1 7.203 0.001 . 1 . . . . . 138 TYR H . 27260 1 661 . 1 . 1 138 138 TYR C C 13 176.453 0.000 . 1 . . . . . 138 TYR C . 27260 1 662 . 1 . 1 138 138 TYR CA C 13 59.248 0.010 . 1 . . . . . 138 TYR CA . 27260 1 663 . 1 . 1 138 138 TYR CB C 13 36.773 0.063 . 1 . . . . . 138 TYR CB . 27260 1 664 . 1 . 1 138 138 TYR N N 15 122.499 0.012 . 1 . . . . . 138 TYR N . 27260 1 665 . 1 . 1 139 139 GLU H H 1 8.167 0.002 . 1 . . . . . 139 GLU H . 27260 1 666 . 1 . 1 139 139 GLU C C 13 179.037 0.020 . 1 . . . . . 139 GLU C . 27260 1 667 . 1 . 1 139 139 GLU CA C 13 59.560 0.019 . 1 . . . . . 139 GLU CA . 27260 1 668 . 1 . 1 139 139 GLU CB C 13 28.309 0.070 . 1 . . . . . 139 GLU CB . 27260 1 669 . 1 . 1 139 139 GLU N N 15 126.528 0.004 . 1 . . . . . 139 GLU N . 27260 1 670 . 1 . 1 140 140 GLU H H 1 7.377 0.000 . 1 . . . . . 140 GLU H . 27260 1 671 . 1 . 1 140 140 GLU C C 13 179.457 0.027 . 1 . . . . . 140 GLU C . 27260 1 672 . 1 . 1 140 140 GLU CA C 13 59.112 0.078 . 1 . . . . . 140 GLU CA . 27260 1 673 . 1 . 1 140 140 GLU CB C 13 29.301 0.074 . 1 . . . . . 140 GLU CB . 27260 1 674 . 1 . 1 140 140 GLU N N 15 117.551 0.006 . 1 . . . . . 140 GLU N . 27260 1 675 . 1 . 1 141 141 PHE H H 1 7.341 0.003 . 1 . . . . . 141 PHE H . 27260 1 676 . 1 . 1 141 141 PHE C C 13 177.595 0.000 . 1 . . . . . 141 PHE C . 27260 1 677 . 1 . 1 141 141 PHE CA C 13 59.974 0.000 . 1 . . . . . 141 PHE CA . 27260 1 678 . 1 . 1 141 141 PHE CB C 13 39.340 0.025 . 1 . . . . . 141 PHE CB . 27260 1 679 . 1 . 1 141 141 PHE N N 15 119.858 0.014 . 1 . . . . . 141 PHE N . 27260 1 680 . 1 . 1 142 142 VAL H H 1 8.402 0.006 . 1 . . . . . 142 VAL H . 27260 1 681 . 1 . 1 142 142 VAL C C 13 178.675 0.036 . 1 . . . . . 142 VAL C . 27260 1 682 . 1 . 1 142 142 VAL CA C 13 67.499 0.070 . 1 . . . . . 142 VAL CA . 27260 1 683 . 1 . 1 142 142 VAL CB C 13 31.689 0.048 . 1 . . . . . 142 VAL CB . 27260 1 684 . 1 . 1 142 142 VAL N N 15 119.448 0.003 . 1 . . . . . 142 VAL N . 27260 1 685 . 1 . 1 143 143 GLN H H 1 7.786 0.002 . 1 . . . . . 143 GLN H . 27260 1 686 . 1 . 1 143 143 GLN C C 13 178.148 0.003 . 1 . . . . . 143 GLN C . 27260 1 687 . 1 . 1 143 143 GLN CA C 13 58.847 0.005 . 1 . . . . . 143 GLN CA . 27260 1 688 . 1 . 1 143 143 GLN CB C 13 28.226 0.005 . 1 . . . . . 143 GLN CB . 27260 1 689 . 1 . 1 143 143 GLN N N 15 117.975 0.010 . 1 . . . . . 143 GLN N . 27260 1 690 . 1 . 1 144 144 MET H H 1 7.794 0.003 . 1 . . . . . 144 MET H . 27260 1 691 . 1 . 1 144 144 MET C C 13 178.131 0.021 . 1 . . . . . 144 MET C . 27260 1 692 . 1 . 1 144 144 MET CA C 13 59.031 0.045 . 1 . . . . . 144 MET CA . 27260 1 693 . 1 . 1 144 144 MET CB C 13 32.921 0.104 . 1 . . . . . 144 MET CB . 27260 1 694 . 1 . 1 144 144 MET N N 15 119.112 0.011 . 1 . . . . . 144 MET N . 27260 1 695 . 1 . 1 145 145 MET H H 1 7.744 0.002 . 1 . . . . . 145 MET H . 27260 1 696 . 1 . 1 145 145 MET C C 13 176.771 0.015 . 1 . . . . . 145 MET C . 27260 1 697 . 1 . 1 145 145 MET CA C 13 58.414 0.081 . 1 . . . . . 145 MET CA . 27260 1 698 . 1 . 1 145 145 MET CB C 13 34.883 0.045 . 1 . . . . . 145 MET CB . 27260 1 699 . 1 . 1 145 145 MET N N 15 113.501 0.004 . 1 . . . . . 145 MET N . 27260 1 700 . 1 . 1 146 146 THR H H 1 7.484 0.002 . 1 . . . . . 146 THR H . 27260 1 701 . 1 . 1 146 146 THR C C 13 174.529 0.028 . 1 . . . . . 146 THR C . 27260 1 702 . 1 . 1 146 146 THR CA C 13 62.019 0.077 . 1 . . . . . 146 THR CA . 27260 1 703 . 1 . 1 146 146 THR CB C 13 69.982 0.042 . 1 . . . . . 146 THR CB . 27260 1 704 . 1 . 1 146 146 THR N N 15 108.059 0.007 . 1 . . . . . 146 THR N . 27260 1 705 . 1 . 1 147 147 ALA H H 1 7.552 0.004 . 1 . . . . . 147 ALA H . 27260 1 706 . 1 . 1 147 147 ALA C C 13 177.085 0.000 . 1 . . . . . 147 ALA C . 27260 1 707 . 1 . 1 147 147 ALA CA C 13 53.382 0.024 . 1 . . . . . 147 ALA CA . 27260 1 708 . 1 . 1 147 147 ALA CB C 13 19.330 0.020 . 1 . . . . . 147 ALA CB . 27260 1 709 . 1 . 1 147 147 ALA N N 15 126.709 0.006 . 1 . . . . . 147 ALA N . 27260 1 710 . 1 . 1 148 148 LYS H H 1 8.050 0.001 . 1 . . . . . 148 LYS H . 27260 1 711 . 1 . 1 148 148 LYS C C 13 181.585 0.000 . 1 . . . . . 148 LYS C . 27260 1 712 . 1 . 1 148 148 LYS CA C 13 57.742 0.000 . 1 . . . . . 148 LYS CA . 27260 1 713 . 1 . 1 148 148 LYS CB C 13 33.904 0.000 . 1 . . . . . 148 LYS CB . 27260 1 714 . 1 . 1 148 148 LYS N N 15 126.356 0.009 . 1 . . . . . 148 LYS N . 27260 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 27260 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27260 2 2 '3D HNCACB' . . . 27260 2 3 '3D HN(CO)CACB' . . . 27260 2 4 '3D HNCO' . . . 27260 2 5 '3D HN(CA)CO' . . . 27260 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $Analysis . . 27260 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 2 2 PRO C C 13 177.505 0.000 . 1 . . . . . -3 PRO C . 27260 2 2 . 2 . 2 2 2 PRO CA C 13 63.415 0.000 . 1 . . . . . -3 PRO CA . 27260 2 3 . 2 . 2 2 2 PRO CB C 13 32.306 0.000 . 1 . . . . . -3 PRO CB . 27260 2 4 . 2 . 2 3 3 GLY H H 1 8.661 0.003 . 1 . . . . . -2 GLY H . 27260 2 5 . 2 . 2 3 3 GLY C C 13 174.375 0.000 . 1 . . . . . -2 GLY C . 27260 2 6 . 2 . 2 3 3 GLY CA C 13 45.401 0.025 . 1 . . . . . -2 GLY CA . 27260 2 7 . 2 . 2 3 3 GLY N N 15 109.734 0.009 . 1 . . . . . -2 GLY N . 27260 2 8 . 2 . 2 4 4 SER H H 1 8.178 0.003 . 1 . . . . . -1 SER H . 27260 2 9 . 2 . 2 4 4 SER C C 13 174.882 0.000 . 1 . . . . . -1 SER C . 27260 2 10 . 2 . 2 4 4 SER CA C 13 58.794 0.047 . 1 . . . . . -1 SER CA . 27260 2 11 . 2 . 2 4 4 SER CB C 13 63.691 0.077 . 1 . . . . . -1 SER CB . 27260 2 12 . 2 . 2 4 4 SER N N 15 115.833 0.014 . 1 . . . . . -1 SER N . 27260 2 13 . 2 . 2 5 5 LYS H H 1 8.435 0.003 . 1 . . . . . 1885 LYS H . 27260 2 14 . 2 . 2 5 5 LYS C C 13 176.840 0.000 . 1 . . . . . 1885 LYS C . 27260 2 15 . 2 . 2 5 5 LYS CA C 13 56.890 0.037 . 1 . . . . . 1885 LYS CA . 27260 2 16 . 2 . 2 5 5 LYS CB C 13 32.863 0.046 . 1 . . . . . 1885 LYS CB . 27260 2 17 . 2 . 2 5 5 LYS N N 15 123.782 0.004 . 1 . . . . . 1885 LYS N . 27260 2 18 . 2 . 2 6 6 ARG H H 1 8.239 0.002 . 1 . . . . . 1886 ARG H . 27260 2 19 . 2 . 2 6 6 ARG C C 13 176.832 0.009 . 1 . . . . . 1886 ARG C . 27260 2 20 . 2 . 2 6 6 ARG CA C 13 56.672 0.040 . 1 . . . . . 1886 ARG CA . 27260 2 21 . 2 . 2 6 6 ARG CB C 13 30.822 0.026 . 1 . . . . . 1886 ARG CB . 27260 2 22 . 2 . 2 6 6 ARG N N 15 121.614 0.007 . 1 . . . . . 1886 ARG N . 27260 2 23 . 2 . 2 7 7 LYS H H 1 8.546 0.003 . 1 . . . . . 1887 LYS H . 27260 2 24 . 2 . 2 7 7 LYS C C 13 177.698 0.016 . 1 . . . . . 1887 LYS C . 27260 2 25 . 2 . 2 7 7 LYS CA C 13 57.035 0.067 . 1 . . . . . 1887 LYS CA . 27260 2 26 . 2 . 2 7 7 LYS CB C 13 32.753 0.010 . 1 . . . . . 1887 LYS CB . 27260 2 27 . 2 . 2 7 7 LYS N N 15 122.398 0.009 . 1 . . . . . 1887 LYS N . 27260 2 28 . 2 . 2 8 8 GLN H H 1 8.593 0.003 . 1 . . . . . 1888 GLN H . 27260 2 29 . 2 . 2 8 8 GLN C C 13 178.455 0.020 . 1 . . . . . 1888 GLN C . 27260 2 30 . 2 . 2 8 8 GLN CA C 13 58.179 0.030 . 1 . . . . . 1888 GLN CA . 27260 2 31 . 2 . 2 8 8 GLN CB C 13 28.850 0.026 . 1 . . . . . 1888 GLN CB . 27260 2 32 . 2 . 2 8 8 GLN N N 15 121.380 0.007 . 1 . . . . . 1888 GLN N . 27260 2 33 . 2 . 2 9 9 GLU H H 1 9.262 0.006 . 1 . . . . . 1889 GLU H . 27260 2 34 . 2 . 2 9 9 GLU C C 13 177.916 0.023 . 1 . . . . . 1889 GLU C . 27260 2 35 . 2 . 2 9 9 GLU CA C 13 60.932 0.027 . 1 . . . . . 1889 GLU CA . 27260 2 36 . 2 . 2 9 9 GLU CB C 13 29.175 0.082 . 1 . . . . . 1889 GLU CB . 27260 2 37 . 2 . 2 9 9 GLU N N 15 120.202 0.013 . 1 . . . . . 1889 GLU N . 27260 2 38 . 2 . 2 10 10 ASP H H 1 7.899 0.002 . 1 . . . . . 1890 ASP H . 27260 2 39 . 2 . 2 10 10 ASP C C 13 179.079 0.027 . 1 . . . . . 1890 ASP C . 27260 2 40 . 2 . 2 10 10 ASP CA C 13 58.655 0.055 . 1 . . . . . 1890 ASP CA . 27260 2 41 . 2 . 2 10 10 ASP CB C 13 41.954 0.055 . 1 . . . . . 1890 ASP CB . 27260 2 42 . 2 . 2 10 10 ASP N N 15 118.805 0.004 . 1 . . . . . 1890 ASP N . 27260 2 43 . 2 . 2 11 11 VAL H H 1 7.945 0.002 . 1 . . . . . 1891 VAL H . 27260 2 44 . 2 . 2 11 11 VAL C C 13 178.999 0.027 . 1 . . . . . 1891 VAL C . 27260 2 45 . 2 . 2 11 11 VAL CA C 13 66.395 0.058 . 1 . . . . . 1891 VAL CA . 27260 2 46 . 2 . 2 11 11 VAL CB C 13 32.095 0.067 . 1 . . . . . 1891 VAL CB . 27260 2 47 . 2 . 2 11 11 VAL N N 15 121.678 0.012 . 1 . . . . . 1891 VAL N . 27260 2 48 . 2 . 2 12 12 SER H H 1 8.459 0.003 . 1 . . . . . 1892 SER H . 27260 2 49 . 2 . 2 12 12 SER C C 13 175.489 0.000 . 1 . . . . . 1892 SER C . 27260 2 50 . 2 . 2 12 12 SER CA C 13 63.285 0.000 . 1 . . . . . 1892 SER CA . 27260 2 51 . 2 . 2 12 12 SER N N 15 117.502 0.005 . 1 . . . . . 1892 SER N . 27260 2 52 . 2 . 2 13 13 ALA H H 1 8.481 0.000 . 1 . . . . . 1893 ALA H . 27260 2 53 . 2 . 2 13 13 ALA C C 13 178.253 0.012 . 1 . . . . . 1893 ALA C . 27260 2 54 . 2 . 2 13 13 ALA CA C 13 56.211 0.010 . 1 . . . . . 1893 ALA CA . 27260 2 55 . 2 . 2 13 13 ALA CB C 13 18.351 0.051 . 1 . . . . . 1893 ALA CB . 27260 2 56 . 2 . 2 13 13 ALA N N 15 122.551 0.010 . 1 . . . . . 1893 ALA N . 27260 2 57 . 2 . 2 14 14 THR H H 1 7.543 0.001 . 1 . . . . . 1894 THR H . 27260 2 58 . 2 . 2 14 14 THR C C 13 176.280 0.000 . 1 . . . . . 1894 THR C . 27260 2 59 . 2 . 2 14 14 THR CA C 13 66.494 0.036 . 1 . . . . . 1894 THR CA . 27260 2 60 . 2 . 2 14 14 THR CB C 13 68.395 0.070 . 1 . . . . . 1894 THR CB . 27260 2 61 . 2 . 2 14 14 THR N N 15 113.518 0.008 . 1 . . . . . 1894 THR N . 27260 2 62 . 2 . 2 15 15 VAL H H 1 7.739 0.002 . 1 . . . . . 1895 VAL H . 27260 2 63 . 2 . 2 15 15 VAL C C 13 179.018 0.031 . 1 . . . . . 1895 VAL C . 27260 2 64 . 2 . 2 15 15 VAL CA C 13 66.721 0.037 . 1 . . . . . 1895 VAL CA . 27260 2 65 . 2 . 2 15 15 VAL CB C 13 32.047 0.019 . 1 . . . . . 1895 VAL CB . 27260 2 66 . 2 . 2 15 15 VAL N N 15 121.833 0.014 . 1 . . . . . 1895 VAL N . 27260 2 67 . 2 . 2 16 16 ILE H H 1 7.107 0.004 . 1 . . . . . 1896 ILE H . 27260 2 68 . 2 . 2 16 16 ILE C C 13 177.311 0.004 . 1 . . . . . 1896 ILE C . 27260 2 69 . 2 . 2 16 16 ILE CA C 13 65.849 0.061 . 1 . . . . . 1896 ILE CA . 27260 2 70 . 2 . 2 16 16 ILE CB C 13 39.040 0.019 . 1 . . . . . 1896 ILE CB . 27260 2 71 . 2 . 2 16 16 ILE N N 15 119.217 0.007 . 1 . . . . . 1896 ILE N . 27260 2 72 . 2 . 2 17 17 GLN H H 1 8.822 0.002 . 1 . . . . . 1897 GLN H . 27260 2 73 . 2 . 2 17 17 GLN C C 13 178.949 0.009 . 1 . . . . . 1897 GLN C . 27260 2 74 . 2 . 2 17 17 GLN CA C 13 60.058 0.036 . 1 . . . . . 1897 GLN CA . 27260 2 75 . 2 . 2 17 17 GLN CB C 13 27.057 0.044 . 1 . . . . . 1897 GLN CB . 27260 2 76 . 2 . 2 17 17 GLN N N 15 119.701 0.008 . 1 . . . . . 1897 GLN N . 27260 2 77 . 2 . 2 18 18 ARG H H 1 8.981 0.004 . 1 . . . . . 1898 ARG H . 27260 2 78 . 2 . 2 18 18 ARG C C 13 179.814 0.029 . 1 . . . . . 1898 ARG C . 27260 2 79 . 2 . 2 18 18 ARG CA C 13 60.035 0.065 . 1 . . . . . 1898 ARG CA . 27260 2 80 . 2 . 2 18 18 ARG CB C 13 30.418 0.017 . 1 . . . . . 1898 ARG CB . 27260 2 81 . 2 . 2 18 18 ARG N N 15 117.284 0.003 . 1 . . . . . 1898 ARG N . 27260 2 82 . 2 . 2 19 19 ALA H H 1 7.860 0.002 . 1 . . . . . 1899 ALA H . 27260 2 83 . 2 . 2 19 19 ALA C C 13 180.590 0.041 . 1 . . . . . 1899 ALA C . 27260 2 84 . 2 . 2 19 19 ALA CA C 13 55.328 0.020 . 1 . . . . . 1899 ALA CA . 27260 2 85 . 2 . 2 19 19 ALA CB C 13 18.736 0.015 . 1 . . . . . 1899 ALA CB . 27260 2 86 . 2 . 2 19 19 ALA N N 15 122.285 0.005 . 1 . . . . . 1899 ALA N . 27260 2 87 . 2 . 2 20 20 TYR H H 1 9.194 0.002 . 1 . . . . . 1900 TYR H . 27260 2 88 . 2 . 2 20 20 TYR C C 13 177.283 0.009 . 1 . . . . . 1900 TYR C . 27260 2 89 . 2 . 2 20 20 TYR CA C 13 62.340 0.031 . 1 . . . . . 1900 TYR CA . 27260 2 90 . 2 . 2 20 20 TYR CB C 13 38.446 0.016 . 1 . . . . . 1900 TYR CB . 27260 2 91 . 2 . 2 20 20 TYR N N 15 121.886 0.015 . 1 . . . . . 1900 TYR N . 27260 2 92 . 2 . 2 21 21 ARG H H 1 8.681 0.003 . 1 . . . . . 1901 ARG H . 27260 2 93 . 2 . 2 21 21 ARG C C 13 179.770 0.044 . 1 . . . . . 1901 ARG C . 27260 2 94 . 2 . 2 21 21 ARG CA C 13 60.822 0.005 . 1 . . . . . 1901 ARG CA . 27260 2 95 . 2 . 2 21 21 ARG CB C 13 29.860 0.048 . 1 . . . . . 1901 ARG CB . 27260 2 96 . 2 . 2 21 21 ARG N N 15 118.902 0.012 . 1 . . . . . 1901 ARG N . 27260 2 97 . 2 . 2 22 22 ARG H H 1 8.039 0.002 . 1 . . . . . 1902 ARG H . 27260 2 98 . 2 . 2 22 22 ARG C C 13 178.618 0.017 . 1 . . . . . 1902 ARG C . 27260 2 99 . 2 . 2 22 22 ARG CA C 13 59.995 0.043 . 1 . . . . . 1902 ARG CA . 27260 2 100 . 2 . 2 22 22 ARG CB C 13 30.631 0.063 . 1 . . . . . 1902 ARG CB . 27260 2 101 . 2 . 2 22 22 ARG N N 15 119.231 0.012 . 1 . . . . . 1902 ARG N . 27260 2 102 . 2 . 2 23 23 TYR H H 1 7.997 0.003 . 1 . . . . . 1903 TYR H . 27260 2 103 . 2 . 2 23 23 TYR C C 13 177.464 0.015 . 1 . . . . . 1903 TYR C . 27260 2 104 . 2 . 2 23 23 TYR CA C 13 60.257 0.096 . 1 . . . . . 1903 TYR CA . 27260 2 105 . 2 . 2 23 23 TYR CB C 13 38.050 0.044 . 1 . . . . . 1903 TYR CB . 27260 2 106 . 2 . 2 23 23 TYR N N 15 122.608 0.006 . 1 . . . . . 1903 TYR N . 27260 2 107 . 2 . 2 24 24 ARG H H 1 8.383 0.004 . 1 . . . . . 1904 ARG H . 27260 2 108 . 2 . 2 24 24 ARG C C 13 179.028 0.029 . 1 . . . . . 1904 ARG C . 27260 2 109 . 2 . 2 24 24 ARG CA C 13 57.919 0.030 . 1 . . . . . 1904 ARG CA . 27260 2 110 . 2 . 2 24 24 ARG CB C 13 28.987 0.037 . 1 . . . . . 1904 ARG CB . 27260 2 111 . 2 . 2 24 24 ARG N N 15 119.453 0.011 . 1 . . . . . 1904 ARG N . 27260 2 112 . 2 . 2 25 25 LEU H H 1 7.549 0.002 . 1 . . . . . 1905 LEU H . 27260 2 113 . 2 . 2 25 25 LEU C C 13 179.277 0.009 . 1 . . . . . 1905 LEU C . 27260 2 114 . 2 . 2 25 25 LEU CA C 13 57.548 0.041 . 1 . . . . . 1905 LEU CA . 27260 2 115 . 2 . 2 25 25 LEU CB C 13 42.115 0.062 . 1 . . . . . 1905 LEU CB . 27260 2 116 . 2 . 2 25 25 LEU N N 15 119.045 0.011 . 1 . . . . . 1905 LEU N . 27260 2 117 . 2 . 2 26 26 ARG H H 1 7.571 0.003 . 1 . . . . . 1906 ARG H . 27260 2 118 . 2 . 2 26 26 ARG C C 13 177.766 0.045 . 1 . . . . . 1906 ARG C . 27260 2 119 . 2 . 2 26 26 ARG CA C 13 58.319 0.037 . 1 . . . . . 1906 ARG CA . 27260 2 120 . 2 . 2 26 26 ARG CB C 13 30.328 0.060 . 1 . . . . . 1906 ARG CB . 27260 2 121 . 2 . 2 26 26 ARG N N 15 117.761 0.005 . 1 . . . . . 1906 ARG N . 27260 2 122 . 2 . 2 27 27 GLN H H 1 7.639 0.002 . 1 . . . . . 1907 GLN H . 27260 2 123 . 2 . 2 27 27 GLN C C 13 176.540 0.022 . 1 . . . . . 1907 GLN C . 27260 2 124 . 2 . 2 27 27 GLN CA C 13 56.209 0.010 . 1 . . . . . 1907 GLN CA . 27260 2 125 . 2 . 2 27 27 GLN CB C 13 28.911 0.018 . 1 . . . . . 1907 GLN CB . 27260 2 126 . 2 . 2 27 27 GLN N N 15 117.219 0.011 . 1 . . . . . 1907 GLN N . 27260 2 127 . 2 . 2 28 28 ASN H H 1 7.914 0.002 . 1 . . . . . 1908 ASN H . 27260 2 128 . 2 . 2 28 28 ASN C C 13 175.269 0.034 . 1 . . . . . 1908 ASN C . 27260 2 129 . 2 . 2 28 28 ASN CA C 13 53.721 0.015 . 1 . . . . . 1908 ASN CA . 27260 2 130 . 2 . 2 28 28 ASN CB C 13 38.946 0.021 . 1 . . . . . 1908 ASN CB . 27260 2 131 . 2 . 2 28 28 ASN N N 15 117.857 0.009 . 1 . . . . . 1908 ASN N . 27260 2 132 . 2 . 2 29 29 VAL H H 1 7.743 0.003 . 1 . . . . . 1909 VAL H . 27260 2 133 . 2 . 2 29 29 VAL C C 13 175.847 0.030 . 1 . . . . . 1909 VAL C . 27260 2 134 . 2 . 2 29 29 VAL CA C 13 62.513 0.047 . 1 . . . . . 1909 VAL CA . 27260 2 135 . 2 . 2 29 29 VAL CB C 13 32.545 0.027 . 1 . . . . . 1909 VAL CB . 27260 2 136 . 2 . 2 29 29 VAL N N 15 119.084 0.003 . 1 . . . . . 1909 VAL N . 27260 2 137 . 2 . 2 30 30 LYS H H 1 8.169 0.003 . 1 . . . . . 1910 LYS H . 27260 2 138 . 2 . 2 30 30 LYS C C 13 175.348 0.009 . 1 . . . . . 1910 LYS C . 27260 2 139 . 2 . 2 30 30 LYS CA C 13 56.225 0.020 . 1 . . . . . 1910 LYS CA . 27260 2 140 . 2 . 2 30 30 LYS CB C 13 33.135 0.087 . 1 . . . . . 1910 LYS CB . 27260 2 141 . 2 . 2 30 30 LYS N N 15 125.038 0.007 . 1 . . . . . 1910 LYS N . 27260 2 142 . 2 . 2 31 31 ASN H H 1 7.997 0.001 . 1 . . . . . 1911 ASN H . 27260 2 143 . 2 . 2 31 31 ASN C C 13 179.574 0.000 . 1 . . . . . 1911 ASN C . 27260 2 144 . 2 . 2 31 31 ASN CA C 13 54.806 0.000 . 1 . . . . . 1911 ASN CA . 27260 2 145 . 2 . 2 31 31 ASN CB C 13 40.478 0.000 . 1 . . . . . 1911 ASN CB . 27260 2 146 . 2 . 2 31 31 ASN N N 15 125.913 0.006 . 1 . . . . . 1911 ASN N . 27260 2 stop_ save_