data_27332 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27332 _Entry.Title ; Backbone chemical shift assignments of apo calmodulin bound to the NaV1.4 IQ motif peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-12-06 _Entry.Accession_date 2017-12-06 _Entry.Last_release_date 2017-12-06 _Entry.Original_release_date 2017-12-06 _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. . . 27332 2 Madeline Shea . A. . . 27332 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 27332 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 513 27332 '15N chemical shifts' 169 27332 '1H chemical shifts' 169 27332 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 . . 2018-09-19 2017-12-06 update BMRB 'update entry citation' 27332 1 . . 2018-05-08 2017-12-06 original author 'original release' 27332 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27332 _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. . . 27332 1 2 Adina Kilpatrick A. M. . . 27332 1 3 Zesen Lin Z. . . . 27332 1 4 Ryan Mahling R. . . . 27332 1 5 Madeline Shea M. A. . . 27332 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27332 _Assembly.ID 1 _Assembly.Name 'CaM NaV1.4 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 . . . 27332 1 2 'NaV1.4 IQ Motif' 2 $voltage-gated_sodium_channel_NaV1.4_IQ_motif_peptide A . yes native no no . . . 27332 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' . 27332 1 yes PDB 2KXW . . NMR . 'Structure of the C-domain Fragment of apo Calmodulin Bound to the IQ motif of Nav1.2' . 27332 1 yes PDB 2L53 . . NMR . 'Solution NMR Structure of apo-calmodulin in complex with the IQ motif of Human Cardiac Sodium Channel NaV1.5' . 27332 1 yes PDB 2M5E . . NMR . 'Structure of the C-domain of Calcium-saturated Calmodulin bound to the IQ motif of NaV1.2' . 27332 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Calmodulin _Entity.Sf_category entity _Entity.Sf_framecode Calmodulin _Entity.Entry_ID 27332 _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 . . . . . . . . . . . . . . . . 27332 1 2 yes NCBI 801 . . . . . . . . . . . . . . . . 27332 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 . ALA . 27332 1 2 . ASP . 27332 1 3 . GLN . 27332 1 4 . LEU . 27332 1 5 . THR . 27332 1 6 . GLU . 27332 1 7 . GLU . 27332 1 8 . GLN . 27332 1 9 . ILE . 27332 1 10 . ALA . 27332 1 11 . GLU . 27332 1 12 . PHE . 27332 1 13 . LYS . 27332 1 14 . GLU . 27332 1 15 . ALA . 27332 1 16 . PHE . 27332 1 17 . SER . 27332 1 18 . LEU . 27332 1 19 . PHE . 27332 1 20 . ASP . 27332 1 21 . LYS . 27332 1 22 . ASP . 27332 1 23 . GLY . 27332 1 24 . ASP . 27332 1 25 . GLY . 27332 1 26 . THR . 27332 1 27 . ILE . 27332 1 28 . THR . 27332 1 29 . THR . 27332 1 30 . LYS . 27332 1 31 . GLU . 27332 1 32 . LEU . 27332 1 33 . GLY . 27332 1 34 . THR . 27332 1 35 . VAL . 27332 1 36 . MET . 27332 1 37 . ARG . 27332 1 38 . SER . 27332 1 39 . LEU . 27332 1 40 . GLY . 27332 1 41 . GLN . 27332 1 42 . ASN . 27332 1 43 . PRO . 27332 1 44 . THR . 27332 1 45 . GLU . 27332 1 46 . ALA . 27332 1 47 . GLU . 27332 1 48 . LEU . 27332 1 49 . GLN . 27332 1 50 . ASP . 27332 1 51 . MET . 27332 1 52 . ILE . 27332 1 53 . ASN . 27332 1 54 . GLU . 27332 1 55 . VAL . 27332 1 56 . ASP . 27332 1 57 . ALA . 27332 1 58 . ASP . 27332 1 59 . GLY . 27332 1 60 . ASN . 27332 1 61 . GLY . 27332 1 62 . THR . 27332 1 63 . ILE . 27332 1 64 . ASP . 27332 1 65 . PHE . 27332 1 66 . PRO . 27332 1 67 . GLU . 27332 1 68 . PHE . 27332 1 69 . LEU . 27332 1 70 . THR . 27332 1 71 . MET . 27332 1 72 . MET . 27332 1 73 . ALA . 27332 1 74 . ARG . 27332 1 75 . LYS . 27332 1 76 . MET . 27332 1 77 . LYS . 27332 1 78 . ASP . 27332 1 79 . THR . 27332 1 80 . ASP . 27332 1 81 . SER . 27332 1 82 . GLU . 27332 1 83 . GLU . 27332 1 84 . GLU . 27332 1 85 . ILE . 27332 1 86 . ARG . 27332 1 87 . GLU . 27332 1 88 . ALA . 27332 1 89 . PHE . 27332 1 90 . ARG . 27332 1 91 . VAL . 27332 1 92 . PHE . 27332 1 93 . ASP . 27332 1 94 . LYS . 27332 1 95 . ASP . 27332 1 96 . GLY . 27332 1 97 . ASN . 27332 1 98 . GLY . 27332 1 99 . TYR . 27332 1 100 . ILE . 27332 1 101 . SER . 27332 1 102 . ALA . 27332 1 103 . ALA . 27332 1 104 . GLU . 27332 1 105 . LEU . 27332 1 106 . ARG . 27332 1 107 . HIS . 27332 1 108 . VAL . 27332 1 109 . MET . 27332 1 110 . THR . 27332 1 111 . ASN . 27332 1 112 . LEU . 27332 1 113 . GLY . 27332 1 114 . GLU . 27332 1 115 . LYS . 27332 1 116 . LEU . 27332 1 117 . THR . 27332 1 118 . ASP . 27332 1 119 . GLU . 27332 1 120 . GLU . 27332 1 121 . VAL . 27332 1 122 . ASP . 27332 1 123 . GLU . 27332 1 124 . MET . 27332 1 125 . ILE . 27332 1 126 . ARG . 27332 1 127 . GLU . 27332 1 128 . ALA . 27332 1 129 . ASP . 27332 1 130 . ILE . 27332 1 131 . ASP . 27332 1 132 . GLY . 27332 1 133 . ASP . 27332 1 134 . GLY . 27332 1 135 . GLN . 27332 1 136 . VAL . 27332 1 137 . ASN . 27332 1 138 . TYR . 27332 1 139 . GLU . 27332 1 140 . GLU . 27332 1 141 . PHE . 27332 1 142 . VAL . 27332 1 143 . GLN . 27332 1 144 . MET . 27332 1 145 . MET . 27332 1 146 . THR . 27332 1 147 . ALA . 27332 1 148 . LYS . 27332 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 27332 1 . ASP 2 2 27332 1 . GLN 3 3 27332 1 . LEU 4 4 27332 1 . THR 5 5 27332 1 . GLU 6 6 27332 1 . GLU 7 7 27332 1 . GLN 8 8 27332 1 . ILE 9 9 27332 1 . ALA 10 10 27332 1 . GLU 11 11 27332 1 . PHE 12 12 27332 1 . LYS 13 13 27332 1 . GLU 14 14 27332 1 . ALA 15 15 27332 1 . PHE 16 16 27332 1 . SER 17 17 27332 1 . LEU 18 18 27332 1 . PHE 19 19 27332 1 . ASP 20 20 27332 1 . LYS 21 21 27332 1 . ASP 22 22 27332 1 . GLY 23 23 27332 1 . ASP 24 24 27332 1 . GLY 25 25 27332 1 . THR 26 26 27332 1 . ILE 27 27 27332 1 . THR 28 28 27332 1 . THR 29 29 27332 1 . LYS 30 30 27332 1 . GLU 31 31 27332 1 . LEU 32 32 27332 1 . GLY 33 33 27332 1 . THR 34 34 27332 1 . VAL 35 35 27332 1 . MET 36 36 27332 1 . ARG 37 37 27332 1 . SER 38 38 27332 1 . LEU 39 39 27332 1 . GLY 40 40 27332 1 . GLN 41 41 27332 1 . ASN 42 42 27332 1 . PRO 43 43 27332 1 . THR 44 44 27332 1 . GLU 45 45 27332 1 . ALA 46 46 27332 1 . GLU 47 47 27332 1 . LEU 48 48 27332 1 . GLN 49 49 27332 1 . ASP 50 50 27332 1 . MET 51 51 27332 1 . ILE 52 52 27332 1 . ASN 53 53 27332 1 . GLU 54 54 27332 1 . VAL 55 55 27332 1 . ASP 56 56 27332 1 . ALA 57 57 27332 1 . ASP 58 58 27332 1 . GLY 59 59 27332 1 . ASN 60 60 27332 1 . GLY 61 61 27332 1 . THR 62 62 27332 1 . ILE 63 63 27332 1 . ASP 64 64 27332 1 . PHE 65 65 27332 1 . PRO 66 66 27332 1 . GLU 67 67 27332 1 . PHE 68 68 27332 1 . LEU 69 69 27332 1 . THR 70 70 27332 1 . MET 71 71 27332 1 . MET 72 72 27332 1 . ALA 73 73 27332 1 . ARG 74 74 27332 1 . LYS 75 75 27332 1 . MET 76 76 27332 1 . LYS 77 77 27332 1 . ASP 78 78 27332 1 . THR 79 79 27332 1 . ASP 80 80 27332 1 . SER 81 81 27332 1 . GLU 82 82 27332 1 . GLU 83 83 27332 1 . GLU 84 84 27332 1 . ILE 85 85 27332 1 . ARG 86 86 27332 1 . GLU 87 87 27332 1 . ALA 88 88 27332 1 . PHE 89 89 27332 1 . ARG 90 90 27332 1 . VAL 91 91 27332 1 . PHE 92 92 27332 1 . ASP 93 93 27332 1 . LYS 94 94 27332 1 . ASP 95 95 27332 1 . GLY 96 96 27332 1 . ASN 97 97 27332 1 . GLY 98 98 27332 1 . TYR 99 99 27332 1 . ILE 100 100 27332 1 . SER 101 101 27332 1 . ALA 102 102 27332 1 . ALA 103 103 27332 1 . GLU 104 104 27332 1 . LEU 105 105 27332 1 . ARG 106 106 27332 1 . HIS 107 107 27332 1 . VAL 108 108 27332 1 . MET 109 109 27332 1 . THR 110 110 27332 1 . ASN 111 111 27332 1 . LEU 112 112 27332 1 . GLY 113 113 27332 1 . GLU 114 114 27332 1 . LYS 115 115 27332 1 . LEU 116 116 27332 1 . THR 117 117 27332 1 . ASP 118 118 27332 1 . GLU 119 119 27332 1 . GLU 120 120 27332 1 . VAL 121 121 27332 1 . ASP 122 122 27332 1 . GLU 123 123 27332 1 . MET 124 124 27332 1 . ILE 125 125 27332 1 . ARG 126 126 27332 1 . GLU 127 127 27332 1 . ALA 128 128 27332 1 . ASP 129 129 27332 1 . ILE 130 130 27332 1 . ASP 131 131 27332 1 . GLY 132 132 27332 1 . ASP 133 133 27332 1 . GLY 134 134 27332 1 . GLN 135 135 27332 1 . VAL 136 136 27332 1 . ASN 137 137 27332 1 . TYR 138 138 27332 1 . GLU 139 139 27332 1 . GLU 140 140 27332 1 . PHE 141 141 27332 1 . VAL 142 142 27332 1 . GLN 143 143 27332 1 . MET 144 144 27332 1 . MET 145 145 27332 1 . THR 146 146 27332 1 . ALA 147 147 27332 1 . LYS 148 148 27332 1 stop_ save_ save_voltage-gated_sodium_channel_NaV1.4_IQ_motif_peptide _Entity.Sf_category entity _Entity.Sf_framecode voltage-gated_sodium_channel_NaV1.4_IQ_motif_peptide _Entity.Entry_ID 27332 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name voltage-gated_sodium_channel_NaV1.4_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 ; GPGSKRKHEEVCAIKIQRAY RRHLLQRSMKQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residues numbered 1723-1749' _Entity.Polymer_author_seq_details ; First four residues (GPGS) are part of a 3C protease cleavage site (numbered -4 to -1). NaV1.4 residue 1723 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 'all free' _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 P35499 . . . . . . . . . . . . . . . . 27332 2 2 yes NCBI 6329 . . . . . . . . . . . . . . . . 27332 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 . 27332 2 2 -3 PRO . 27332 2 3 -2 GLY . 27332 2 4 -1 SER . 27332 2 5 1723 LYS . 27332 2 6 1724 ARG . 27332 2 7 1725 LYS . 27332 2 8 1726 HIS . 27332 2 9 1727 GLU . 27332 2 10 1728 GLU . 27332 2 11 1729 VAL . 27332 2 12 1730 CYS . 27332 2 13 1731 ALA . 27332 2 14 1732 ILE . 27332 2 15 1733 LYS . 27332 2 16 1734 ILE . 27332 2 17 1735 GLN . 27332 2 18 1736 ARG . 27332 2 19 1737 ALA . 27332 2 20 1738 TYR . 27332 2 21 1739 ARG . 27332 2 22 1740 ARG . 27332 2 23 1741 HIS . 27332 2 24 1742 LEU . 27332 2 25 1743 LEU . 27332 2 26 1744 GLN . 27332 2 27 1745 ARG . 27332 2 28 1746 SER . 27332 2 29 1747 MET . 27332 2 30 1748 LYS . 27332 2 31 1749 GLN . 27332 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 27332 2 . PRO 2 2 27332 2 . GLY 3 3 27332 2 . SER 4 4 27332 2 . LYS 5 5 27332 2 . ARG 6 6 27332 2 . LYS 7 7 27332 2 . HIS 8 8 27332 2 . GLU 9 9 27332 2 . GLU 10 10 27332 2 . VAL 11 11 27332 2 . CYS 12 12 27332 2 . ALA 13 13 27332 2 . ILE 14 14 27332 2 . LYS 15 15 27332 2 . ILE 16 16 27332 2 . GLN 17 17 27332 2 . ARG 18 18 27332 2 . ALA 19 19 27332 2 . TYR 20 20 27332 2 . ARG 21 21 27332 2 . ARG 22 22 27332 2 . HIS 23 23 27332 2 . LEU 24 24 27332 2 . LEU 25 25 27332 2 . GLN 26 26 27332 2 . ARG 27 27 27332 2 . SER 28 28 27332 2 . MET 29 29 27332 2 . LYS 30 30 27332 2 . GLN 31 31 27332 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 27332 _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 . . . . . . . . . . . . . 27332 1 2 2 $voltage-gated_sodium_channel_NaV1.4_IQ_motif_peptide . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27332 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 27332 _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 . . . 27332 1 2 2 $voltage-gated_sodium_channel_NaV1.4_IQ_motif_peptide . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . pBG101 . . . 27332 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27332 _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 . . 1.1 . . mM . . . . 27332 1 2 'voltage-gated sodium channel NaV1.4 IQ motif peptide' '[U-99% 13C; U-99% 15N]' . . 2 $voltage-gated_sodium_channel_NaV1.4_IQ_motif_peptide . . 1.1 . . mM . . . . 27332 1 3 EDTA 'natural abundance' . . . . . . .1 . . mM . . . . 27332 1 4 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27332 1 5 imidazole '[U-99% 2H]' . . . . . . 10 . . mM . . . . 27332 1 6 'sodium azide' 'natural abundance' . . . . . . .01 . . % . . . . 27332 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 27332 _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 27332 1 pH 6.5 . pH 27332 1 pressure 1 . atm 27332 1 temperature 298 . K 27332 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27332 _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' . . 27332 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27332 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27332 _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' . . 27332 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27332 2 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 27332 _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 . . 27332 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27332 3 . 'data analysis' 27332 3 . 'peak picking' 27332 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 27332 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Fully Automated Avance II' _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 27332 _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 'Fully Automated Avance II' . 500 . . . 27332 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 27332 _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 . . . . . . . . . . . . . . . . 27332 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27332 1 3 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27332 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27332 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27332 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 27332 _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 . . . . . 27332 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . 27332 1 N 15 water protons . . . . ppm 4.773 na indirect 0.101329118 . . . . . 27332 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 27332 _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' . . . 27332 1 2 '3D HNCACB' . . . 27332 1 3 '3D HN(CO)CACB' . . . 27332 1 4 '3D HNCO' . . . 27332 1 5 '3D HN(CA)CO' . . . 27332 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 . . 27332 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 13 175.578 0.052 . 1 . . . . . 2 ASP C . 27332 1 2 . 1 . 1 2 2 ASP CA C 13 54.930 0.000 . 1 . . . . . 2 ASP CA . 27332 1 3 . 1 . 1 2 2 ASP CB C 13 41.420 0.031 . 1 . . . . . 2 ASP CB . 27332 1 4 . 1 . 1 3 3 GLN H H 1 8.215 0.000 . 1 . . . . . 3 GLN H . 27332 1 5 . 1 . 1 3 3 GLN C C 13 175.681 0.010 . 1 . . . . . 3 GLN C . 27332 1 6 . 1 . 1 3 3 GLN CA C 13 55.437 0.073 . 1 . . . . . 3 GLN CA . 27332 1 7 . 1 . 1 3 3 GLN CB C 13 30.384 0.038 . 1 . . . . . 3 GLN CB . 27332 1 8 . 1 . 1 3 3 GLN N N 15 118.703 0.010 . 1 . . . . . 3 GLN N . 27332 1 9 . 1 . 1 4 4 LEU H H 1 8.297 0.002 . 1 . . . . . 4 LEU H . 27332 1 10 . 1 . 1 4 4 LEU C C 13 177.545 0.010 . 1 . . . . . 4 LEU C . 27332 1 11 . 1 . 1 4 4 LEU CA C 13 54.430 0.045 . 1 . . . . . 4 LEU CA . 27332 1 12 . 1 . 1 4 4 LEU CB C 13 43.506 0.020 . 1 . . . . . 4 LEU CB . 27332 1 13 . 1 . 1 4 4 LEU N N 15 122.045 0.022 . 1 . . . . . 4 LEU N . 27332 1 14 . 1 . 1 5 5 THR H H 1 8.747 0.002 . 1 . . . . . 5 THR H . 27332 1 15 . 1 . 1 5 5 THR C C 13 175.381 0.017 . 1 . . . . . 5 THR C . 27332 1 16 . 1 . 1 5 5 THR CA C 13 60.476 0.029 . 1 . . . . . 5 THR CA . 27332 1 17 . 1 . 1 5 5 THR CB C 13 71.238 0.030 . 1 . . . . . 5 THR CB . 27332 1 18 . 1 . 1 5 5 THR N N 15 112.963 0.015 . 1 . . . . . 5 THR N . 27332 1 19 . 1 . 1 6 6 GLU H H 1 9.026 0.002 . 1 . . . . . 6 GLU H . 27332 1 20 . 1 . 1 6 6 GLU C C 13 179.447 0.083 . 1 . . . . . 6 GLU C . 27332 1 21 . 1 . 1 6 6 GLU CA C 13 60.177 0.068 . 1 . . . . . 6 GLU CA . 27332 1 22 . 1 . 1 6 6 GLU CB C 13 29.196 0.078 . 1 . . . . . 6 GLU CB . 27332 1 23 . 1 . 1 6 6 GLU N N 15 120.402 0.011 . 1 . . . . . 6 GLU N . 27332 1 24 . 1 . 1 7 7 GLU H H 1 8.729 0.002 . 1 . . . . . 7 GLU H . 27332 1 25 . 1 . 1 7 7 GLU C C 13 179.288 0.021 . 1 . . . . . 7 GLU C . 27332 1 26 . 1 . 1 7 7 GLU CA C 13 60.247 0.000 . 1 . . . . . 7 GLU CA . 27332 1 27 . 1 . 1 7 7 GLU CB C 13 29.111 0.016 . 1 . . . . . 7 GLU CB . 27332 1 28 . 1 . 1 7 7 GLU N N 15 119.500 0.008 . 1 . . . . . 7 GLU N . 27332 1 29 . 1 . 1 8 8 GLN H H 1 7.718 0.001 . 1 . . . . . 8 GLN H . 27332 1 30 . 1 . 1 8 8 GLN C C 13 177.593 0.021 . 1 . . . . . 8 GLN C . 27332 1 31 . 1 . 1 8 8 GLN CA C 13 58.678 0.012 . 1 . . . . . 8 GLN CA . 27332 1 32 . 1 . 1 8 8 GLN CB C 13 29.242 0.000 . 1 . . . . . 8 GLN CB . 27332 1 33 . 1 . 1 8 8 GLN N N 15 120.603 0.008 . 1 . . . . . 8 GLN N . 27332 1 34 . 1 . 1 9 9 ILE H H 1 8.227 0.002 . 1 . . . . . 9 ILE H . 27332 1 35 . 1 . 1 9 9 ILE C C 13 177.666 0.010 . 1 . . . . . 9 ILE C . 27332 1 36 . 1 . 1 9 9 ILE CA C 13 66.778 0.021 . 1 . . . . . 9 ILE CA . 27332 1 37 . 1 . 1 9 9 ILE CB C 13 38.159 0.027 . 1 . . . . . 9 ILE CB . 27332 1 38 . 1 . 1 9 9 ILE N N 15 118.703 0.011 . 1 . . . . . 9 ILE N . 27332 1 39 . 1 . 1 10 10 ALA H H 1 7.918 0.002 . 1 . . . . . 10 ALA H . 27332 1 40 . 1 . 1 10 10 ALA C C 13 180.804 0.010 . 1 . . . . . 10 ALA C . 27332 1 41 . 1 . 1 10 10 ALA CA C 13 55.406 0.100 . 1 . . . . . 10 ALA CA . 27332 1 42 . 1 . 1 10 10 ALA CB C 13 17.985 0.027 . 1 . . . . . 10 ALA CB . 27332 1 43 . 1 . 1 10 10 ALA N N 15 120.604 0.008 . 1 . . . . . 10 ALA N . 27332 1 44 . 1 . 1 11 11 GLU H H 1 7.790 0.002 . 1 . . . . . 11 GLU H . 27332 1 45 . 1 . 1 11 11 GLU C C 13 180.280 0.029 . 1 . . . . . 11 GLU C . 27332 1 46 . 1 . 1 11 11 GLU CA C 13 59.426 0.027 . 1 . . . . . 11 GLU CA . 27332 1 47 . 1 . 1 11 11 GLU CB C 13 29.441 0.063 . 1 . . . . . 11 GLU CB . 27332 1 48 . 1 . 1 11 11 GLU N N 15 120.431 0.000 . 1 . . . . . 11 GLU N . 27332 1 49 . 1 . 1 12 12 PHE H H 1 8.792 0.002 . 1 . . . . . 12 PHE H . 27332 1 50 . 1 . 1 12 12 PHE C C 13 178.062 0.019 . 1 . . . . . 12 PHE C . 27332 1 51 . 1 . 1 12 12 PHE CA C 13 58.412 0.046 . 1 . . . . . 12 PHE CA . 27332 1 52 . 1 . 1 12 12 PHE CB C 13 36.990 0.015 . 1 . . . . . 12 PHE CB . 27332 1 53 . 1 . 1 12 12 PHE N N 15 120.447 0.010 . 1 . . . . . 12 PHE N . 27332 1 54 . 1 . 1 13 13 LYS H H 1 9.237 0.003 . 1 . . . . . 13 LYS H . 27332 1 55 . 1 . 1 13 13 LYS C C 13 179.175 0.010 . 1 . . . . . 13 LYS C . 27332 1 56 . 1 . 1 13 13 LYS CA C 13 59.864 0.057 . 1 . . . . . 13 LYS CA . 27332 1 57 . 1 . 1 13 13 LYS CB C 13 32.053 0.025 . 1 . . . . . 13 LYS CB . 27332 1 58 . 1 . 1 13 13 LYS N N 15 121.651 0.009 . 1 . . . . . 13 LYS N . 27332 1 59 . 1 . 1 14 14 GLU H H 1 8.061 0.002 . 1 . . . . . 14 GLU H . 27332 1 60 . 1 . 1 14 14 GLU C C 13 178.868 0.078 . 1 . . . . . 14 GLU C . 27332 1 61 . 1 . 1 14 14 GLU CA C 13 59.515 0.018 . 1 . . . . . 14 GLU CA . 27332 1 62 . 1 . 1 14 14 GLU CB C 13 29.324 0.026 . 1 . . . . . 14 GLU CB . 27332 1 63 . 1 . 1 14 14 GLU N N 15 120.586 0.014 . 1 . . . . . 14 GLU N . 27332 1 64 . 1 . 1 15 15 ALA H H 1 7.655 0.003 . 1 . . . . . 15 ALA H . 27332 1 65 . 1 . 1 15 15 ALA C C 13 178.988 0.010 . 1 . . . . . 15 ALA C . 27332 1 66 . 1 . 1 15 15 ALA CA C 13 55.168 0.067 . 1 . . . . . 15 ALA CA . 27332 1 67 . 1 . 1 15 15 ALA CB C 13 19.327 0.014 . 1 . . . . . 15 ALA CB . 27332 1 68 . 1 . 1 15 15 ALA N N 15 120.899 0.007 . 1 . . . . . 15 ALA N . 27332 1 69 . 1 . 1 16 16 PHE H H 1 8.529 0.003 . 1 . . . . . 16 PHE H . 27332 1 70 . 1 . 1 16 16 PHE C C 13 177.462 0.010 . 1 . . . . . 16 PHE C . 27332 1 71 . 1 . 1 16 16 PHE CA C 13 61.946 0.042 . 1 . . . . . 16 PHE CA . 27332 1 72 . 1 . 1 16 16 PHE CB C 13 40.949 0.051 . 1 . . . . . 16 PHE CB . 27332 1 73 . 1 . 1 16 16 PHE N N 15 117.890 0.005 . 1 . . . . . 16 PHE N . 27332 1 74 . 1 . 1 17 17 SER H H 1 8.415 0.001 . 1 . . . . . 17 SER H . 27332 1 75 . 1 . 1 17 17 SER C C 13 175.877 0.000 . 1 . . . . . 17 SER C . 27332 1 76 . 1 . 1 17 17 SER CA C 13 61.762 0.016 . 1 . . . . . 17 SER CA . 27332 1 77 . 1 . 1 17 17 SER CB C 13 63.155 0.031 . 1 . . . . . 17 SER CB . 27332 1 78 . 1 . 1 17 17 SER N N 15 111.152 0.008 . 1 . . . . . 17 SER N . 27332 1 79 . 1 . 1 18 18 LEU H H 1 7.344 0.002 . 1 . . . . . 18 LEU H . 27332 1 80 . 1 . 1 18 18 LEU C C 13 177.869 0.010 . 1 . . . . . 18 LEU C . 27332 1 81 . 1 . 1 18 18 LEU CA C 13 57.106 0.012 . 1 . . . . . 18 LEU CA . 27332 1 82 . 1 . 1 18 18 LEU CB C 13 41.716 0.026 . 1 . . . . . 18 LEU CB . 27332 1 83 . 1 . 1 18 18 LEU N N 15 121.221 0.013 . 1 . . . . . 18 LEU N . 27332 1 84 . 1 . 1 19 19 PHE H H 1 7.378 0.002 . 1 . . . . . 19 PHE H . 27332 1 85 . 1 . 1 19 19 PHE C C 13 174.482 0.052 . 1 . . . . . 19 PHE C . 27332 1 86 . 1 . 1 19 19 PHE CA C 13 58.488 0.022 . 1 . . . . . 19 PHE CA . 27332 1 87 . 1 . 1 19 19 PHE CB C 13 39.914 0.074 . 1 . . . . . 19 PHE CB . 27332 1 88 . 1 . 1 19 19 PHE N N 15 114.863 0.006 . 1 . . . . . 19 PHE N . 27332 1 89 . 1 . 1 20 20 ASP H H 1 7.302 0.004 . 1 . . . . . 20 ASP H . 27332 1 90 . 1 . 1 20 20 ASP C C 13 176.959 0.010 . 1 . . . . . 20 ASP C . 27332 1 91 . 1 . 1 20 20 ASP CA C 13 52.731 0.045 . 1 . . . . . 20 ASP CA . 27332 1 92 . 1 . 1 20 20 ASP CB C 13 40.030 0.016 . 1 . . . . . 20 ASP CB . 27332 1 93 . 1 . 1 20 20 ASP N N 15 122.475 0.005 . 1 . . . . . 20 ASP N . 27332 1 94 . 1 . 1 21 21 LYS H H 1 8.069 0.002 . 1 . . . . . 21 LYS H . 27332 1 95 . 1 . 1 21 21 LYS C C 13 177.889 0.010 . 1 . . . . . 21 LYS C . 27332 1 96 . 1 . 1 21 21 LYS CA C 13 58.500 0.051 . 1 . . . . . 21 LYS CA . 27332 1 97 . 1 . 1 21 21 LYS CB C 13 32.591 0.008 . 1 . . . . . 21 LYS CB . 27332 1 98 . 1 . 1 21 21 LYS N N 15 123.895 0.007 . 1 . . . . . 21 LYS N . 27332 1 99 . 1 . 1 22 22 ASP H H 1 8.735 0.002 . 1 . . . . . 22 ASP H . 27332 1 100 . 1 . 1 22 22 ASP C C 13 176.821 0.010 . 1 . . . . . 22 ASP C . 27332 1 101 . 1 . 1 22 22 ASP CA C 13 54.600 0.039 . 1 . . . . . 22 ASP CA . 27332 1 102 . 1 . 1 22 22 ASP CB C 13 41.352 0.048 . 1 . . . . . 22 ASP CB . 27332 1 103 . 1 . 1 22 22 ASP N N 15 117.304 0.007 . 1 . . . . . 22 ASP N . 27332 1 104 . 1 . 1 23 23 GLY H H 1 8.005 0.003 . 1 . . . . . 23 GLY H . 27332 1 105 . 1 . 1 23 23 GLY C C 13 175.154 0.000 . 1 . . . . . 23 GLY C . 27332 1 106 . 1 . 1 23 23 GLY CA C 13 46.863 0.003 . 1 . . . . . 23 GLY CA . 27332 1 107 . 1 . 1 23 23 GLY N N 15 110.453 0.007 . 1 . . . . . 23 GLY N . 27332 1 108 . 1 . 1 24 24 ASP H H 1 8.759 0.002 . 1 . . . . . 24 ASP H . 27332 1 109 . 1 . 1 24 24 ASP C C 13 177.338 0.010 . 1 . . . . . 24 ASP C . 27332 1 110 . 1 . 1 24 24 ASP CA C 13 53.944 0.039 . 1 . . . . . 24 ASP CA . 27332 1 111 . 1 . 1 24 24 ASP CB C 13 41.496 0.018 . 1 . . . . . 24 ASP CB . 27332 1 112 . 1 . 1 24 24 ASP N N 15 120.852 0.005 . 1 . . . . . 24 ASP N . 27332 1 113 . 1 . 1 25 25 GLY H H 1 10.171 0.004 . 1 . . . . . 25 GLY H . 27332 1 114 . 1 . 1 25 25 GLY C C 13 174.162 0.021 . 1 . . . . . 25 GLY C . 27332 1 115 . 1 . 1 25 25 GLY CA C 13 46.003 0.013 . 1 . . . . . 25 GLY CA . 27332 1 116 . 1 . 1 25 25 GLY N N 15 112.146 0.008 . 1 . . . . . 25 GLY N . 27332 1 117 . 1 . 1 26 26 THR H H 1 7.592 0.004 . 1 . . . . . 26 THR H . 27332 1 118 . 1 . 1 26 26 THR C C 13 172.870 0.031 . 1 . . . . . 26 THR C . 27332 1 119 . 1 . 1 26 26 THR CA C 13 59.955 0.014 . 1 . . . . . 26 THR CA . 27332 1 120 . 1 . 1 26 26 THR CB C 13 73.199 0.017 . 1 . . . . . 26 THR CB . 27332 1 121 . 1 . 1 26 26 THR N N 15 110.040 0.010 . 1 . . . . . 26 THR N . 27332 1 122 . 1 . 1 27 27 ILE H H 1 8.271 0.005 . 1 . . . . . 27 ILE H . 27332 1 123 . 1 . 1 27 27 ILE C C 13 175.950 0.031 . 1 . . . . . 27 ILE C . 27332 1 124 . 1 . 1 27 27 ILE CA C 13 59.496 0.073 . 1 . . . . . 27 ILE CA . 27332 1 125 . 1 . 1 27 27 ILE CB C 13 41.548 0.012 . 1 . . . . . 27 ILE CB . 27332 1 126 . 1 . 1 27 27 ILE N N 15 110.653 0.010 . 1 . . . . . 27 ILE N . 27332 1 127 . 1 . 1 28 28 THR H H 1 8.340 0.000 . 1 . . . . . 28 THR H . 27332 1 128 . 1 . 1 28 28 THR C C 13 176.808 0.017 . 1 . . . . . 28 THR C . 27332 1 129 . 1 . 1 28 28 THR CA C 13 60.798 0.015 . 1 . . . . . 28 THR CA . 27332 1 130 . 1 . 1 28 28 THR CB C 13 70.661 0.015 . 1 . . . . . 28 THR CB . 27332 1 131 . 1 . 1 28 28 THR N N 15 111.007 0.003 . 1 . . . . . 28 THR N . 27332 1 132 . 1 . 1 29 29 THR H H 1 8.310 0.003 . 1 . . . . . 29 THR H . 27332 1 133 . 1 . 1 29 29 THR C C 13 177.159 0.000 . 1 . . . . . 29 THR C . 27332 1 134 . 1 . 1 29 29 THR CA C 13 65.255 0.033 . 1 . . . . . 29 THR CA . 27332 1 135 . 1 . 1 29 29 THR CB C 13 67.520 0.034 . 1 . . . . . 29 THR CB . 27332 1 136 . 1 . 1 29 29 THR N N 15 112.770 0.007 . 1 . . . . . 29 THR N . 27332 1 137 . 1 . 1 30 30 LYS H H 1 7.647 0.002 . 1 . . . . . 30 LYS H . 27332 1 138 . 1 . 1 30 30 LYS C C 13 178.041 0.026 . 1 . . . . . 30 LYS C . 27332 1 139 . 1 . 1 30 30 LYS CA C 13 58.423 0.040 . 1 . . . . . 30 LYS CA . 27332 1 140 . 1 . 1 30 30 LYS CB C 13 32.325 0.039 . 1 . . . . . 30 LYS CB . 27332 1 141 . 1 . 1 30 30 LYS N N 15 119.104 0.014 . 1 . . . . . 30 LYS N . 27332 1 142 . 1 . 1 31 31 GLU H H 1 7.516 0.002 . 1 . . . . . 31 GLU H . 27332 1 143 . 1 . 1 31 31 GLU C C 13 176.270 0.021 . 1 . . . . . 31 GLU C . 27332 1 144 . 1 . 1 31 31 GLU CA C 13 56.210 0.047 . 1 . . . . . 31 GLU CA . 27332 1 145 . 1 . 1 31 31 GLU CB C 13 29.826 0.050 . 1 . . . . . 31 GLU CB . 27332 1 146 . 1 . 1 31 31 GLU N N 15 117.721 0.008 . 1 . . . . . 31 GLU N . 27332 1 147 . 1 . 1 32 32 LEU H H 1 7.373 0.004 . 1 . . . . . 32 LEU H . 27332 1 148 . 1 . 1 32 32 LEU C C 13 178.179 0.019 . 1 . . . . . 32 LEU C . 27332 1 149 . 1 . 1 32 32 LEU CA C 13 58.746 0.036 . 1 . . . . . 32 LEU CA . 27332 1 150 . 1 . 1 32 32 LEU CB C 13 41.965 0.025 . 1 . . . . . 32 LEU CB . 27332 1 151 . 1 . 1 32 32 LEU N N 15 121.003 0.010 . 1 . . . . . 32 LEU N . 27332 1 152 . 1 . 1 33 33 GLY H H 1 8.797 0.002 . 1 . . . . . 33 GLY H . 27332 1 153 . 1 . 1 33 33 GLY C C 13 174.947 0.029 . 1 . . . . . 33 GLY C . 27332 1 154 . 1 . 1 33 33 GLY CA C 13 48.214 0.027 . 1 . . . . . 33 GLY CA . 27332 1 155 . 1 . 1 33 33 GLY N N 15 105.692 0.007 . 1 . . . . . 33 GLY N . 27332 1 156 . 1 . 1 34 34 THR H H 1 7.509 0.002 . 1 . . . . . 34 THR H . 27332 1 157 . 1 . 1 34 34 THR C C 13 177.262 0.000 . 1 . . . . . 34 THR C . 27332 1 158 . 1 . 1 34 34 THR CA C 13 66.096 0.010 . 1 . . . . . 34 THR CA . 27332 1 159 . 1 . 1 34 34 THR CB C 13 68.170 0.093 . 1 . . . . . 34 THR CB . 27332 1 160 . 1 . 1 34 34 THR N N 15 118.647 0.007 . 1 . . . . . 34 THR N . 27332 1 161 . 1 . 1 35 35 VAL H H 1 7.967 0.002 . 1 . . . . . 35 VAL H . 27332 1 162 . 1 . 1 35 35 VAL C C 13 179.299 0.010 . 1 . . . . . 35 VAL C . 27332 1 163 . 1 . 1 35 35 VAL CA C 13 66.530 0.026 . 1 . . . . . 35 VAL CA . 27332 1 164 . 1 . 1 35 35 VAL CB C 13 31.404 0.037 . 1 . . . . . 35 VAL CB . 27332 1 165 . 1 . 1 35 35 VAL N N 15 122.968 0.006 . 1 . . . . . 35 VAL N . 27332 1 166 . 1 . 1 36 36 MET H H 1 8.462 0.002 . 1 . . . . . 36 MET H . 27332 1 167 . 1 . 1 36 36 MET C C 13 179.006 0.010 . 1 . . . . . 36 MET C . 27332 1 168 . 1 . 1 36 36 MET CA C 13 60.245 0.024 . 1 . . . . . 36 MET CA . 27332 1 169 . 1 . 1 36 36 MET CB C 13 31.768 0.019 . 1 . . . . . 36 MET CB . 27332 1 170 . 1 . 1 36 36 MET N N 15 118.760 0.012 . 1 . . . . . 36 MET N . 27332 1 171 . 1 . 1 37 37 ARG H H 1 8.518 0.003 . 1 . . . . . 37 ARG H . 27332 1 172 . 1 . 1 37 37 ARG C C 13 181.404 0.035 . 1 . . . . . 37 ARG C . 27332 1 173 . 1 . 1 37 37 ARG CA C 13 59.407 0.044 . 1 . . . . . 37 ARG CA . 27332 1 174 . 1 . 1 37 37 ARG CB C 13 30.278 0.025 . 1 . . . . . 37 ARG CB . 27332 1 175 . 1 . 1 37 37 ARG N N 15 119.703 0.010 . 1 . . . . . 37 ARG N . 27332 1 176 . 1 . 1 38 38 SER H H 1 8.118 0.001 . 1 . . . . . 38 SER H . 27332 1 177 . 1 . 1 38 38 SER C C 13 174.989 0.000 . 1 . . . . . 38 SER C . 27332 1 178 . 1 . 1 38 38 SER CA C 13 61.646 0.000 . 1 . . . . . 38 SER CA . 27332 1 179 . 1 . 1 38 38 SER CB C 13 62.789 0.003 . 1 . . . . . 38 SER CB . 27332 1 180 . 1 . 1 38 38 SER N N 15 119.269 0.009 . 1 . . . . . 38 SER N . 27332 1 181 . 1 . 1 39 39 LEU H H 1 7.334 0.001 . 1 . . . . . 39 LEU H . 27332 1 182 . 1 . 1 39 39 LEU C C 13 177.242 0.000 . 1 . . . . . 39 LEU C . 27332 1 183 . 1 . 1 39 39 LEU CA C 13 54.584 0.024 . 1 . . . . . 39 LEU CA . 27332 1 184 . 1 . 1 39 39 LEU CB C 13 42.884 0.052 . 1 . . . . . 39 LEU CB . 27332 1 185 . 1 . 1 39 39 LEU N N 15 121.223 0.014 . 1 . . . . . 39 LEU N . 27332 1 186 . 1 . 1 40 40 GLY H H 1 7.932 0.002 . 1 . . . . . 40 GLY H . 27332 1 187 . 1 . 1 40 40 GLY C C 13 174.280 0.015 . 1 . . . . . 40 GLY C . 27332 1 188 . 1 . 1 40 40 GLY CA C 13 45.842 0.048 . 1 . . . . . 40 GLY CA . 27332 1 189 . 1 . 1 40 40 GLY N N 15 107.384 0.016 . 1 . . . . . 40 GLY N . 27332 1 190 . 1 . 1 41 41 GLN H H 1 7.775 0.000 . 1 . . . . . 41 GLN H . 27332 1 191 . 1 . 1 41 41 GLN C C 13 173.989 0.035 . 1 . . . . . 41 GLN C . 27332 1 192 . 1 . 1 41 41 GLN CA C 13 54.157 0.013 . 1 . . . . . 41 GLN CA . 27332 1 193 . 1 . 1 41 41 GLN CB C 13 30.079 0.039 . 1 . . . . . 41 GLN CB . 27332 1 194 . 1 . 1 41 41 GLN N N 15 118.000 0.008 . 1 . . . . . 41 GLN N . 27332 1 195 . 1 . 1 42 42 ASN H H 1 8.673 0.002 . 1 . . . . . 42 ASN H . 27332 1 196 . 1 . 1 42 42 ASN C C 13 171.970 0.000 . 1 . . . . . 42 ASN C . 27332 1 197 . 1 . 1 42 42 ASN CA C 13 51.196 0.000 . 1 . . . . . 42 ASN CA . 27332 1 198 . 1 . 1 42 42 ASN CB C 13 39.345 0.000 . 1 . . . . . 42 ASN CB . 27332 1 199 . 1 . 1 42 42 ASN N N 15 116.783 0.007 . 1 . . . . . 42 ASN N . 27332 1 200 . 1 . 1 43 43 PRO C C 13 177.614 0.000 . 1 . . . . . 43 PRO C . 27332 1 201 . 1 . 1 43 43 PRO CA C 13 62.414 0.037 . 1 . . . . . 43 PRO CA . 27332 1 202 . 1 . 1 43 43 PRO CB C 13 32.000 0.037 . 1 . . . . . 43 PRO CB . 27332 1 203 . 1 . 1 44 44 THR H H 1 8.743 0.001 . 1 . . . . . 44 THR H . 27332 1 204 . 1 . 1 44 44 THR C C 13 175.057 0.026 . 1 . . . . . 44 THR C . 27332 1 205 . 1 . 1 44 44 THR CA C 13 60.772 0.039 . 1 . . . . . 44 THR CA . 27332 1 206 . 1 . 1 44 44 THR CB C 13 71.035 0.051 . 1 . . . . . 44 THR CB . 27332 1 207 . 1 . 1 44 44 THR N N 15 113.430 0.015 . 1 . . . . . 44 THR N . 27332 1 208 . 1 . 1 45 45 GLU H H 1 8.862 0.002 . 1 . . . . . 45 GLU H . 27332 1 209 . 1 . 1 45 45 GLU C C 13 179.188 0.027 . 1 . . . . . 45 GLU C . 27332 1 210 . 1 . 1 45 45 GLU CA C 13 60.094 0.078 . 1 . . . . . 45 GLU CA . 27332 1 211 . 1 . 1 45 45 GLU CB C 13 29.079 0.021 . 1 . . . . . 45 GLU CB . 27332 1 212 . 1 . 1 45 45 GLU N N 15 120.713 0.009 . 1 . . . . . 45 GLU N . 27332 1 213 . 1 . 1 46 46 ALA H H 1 8.329 0.002 . 1 . . . . . 46 ALA H . 27332 1 214 . 1 . 1 46 46 ALA C C 13 180.122 0.096 . 1 . . . . . 46 ALA C . 27332 1 215 . 1 . 1 46 46 ALA CA C 13 55.150 0.077 . 1 . . . . . 46 ALA CA . 27332 1 216 . 1 . 1 46 46 ALA CB C 13 18.306 0.051 . 1 . . . . . 46 ALA CB . 27332 1 217 . 1 . 1 46 46 ALA N N 15 121.260 0.003 . 1 . . . . . 46 ALA N . 27332 1 218 . 1 . 1 47 47 GLU H H 1 7.728 0.003 . 1 . . . . . 47 GLU H . 27332 1 219 . 1 . 1 47 47 GLU C C 13 179.939 0.031 . 1 . . . . . 47 GLU C . 27332 1 220 . 1 . 1 47 47 GLU CA C 13 58.958 0.013 . 1 . . . . . 47 GLU CA . 27332 1 221 . 1 . 1 47 47 GLU CB C 13 30.050 0.015 . 1 . . . . . 47 GLU CB . 27332 1 222 . 1 . 1 47 47 GLU N N 15 119.081 0.001 . 1 . . . . . 47 GLU N . 27332 1 223 . 1 . 1 48 48 LEU H H 1 8.337 0.002 . 1 . . . . . 48 LEU H . 27332 1 224 . 1 . 1 48 48 LEU C C 13 178.365 0.049 . 1 . . . . . 48 LEU C . 27332 1 225 . 1 . 1 48 48 LEU CA C 13 58.187 0.036 . 1 . . . . . 48 LEU CA . 27332 1 226 . 1 . 1 48 48 LEU CB C 13 41.942 0.025 . 1 . . . . . 48 LEU CB . 27332 1 227 . 1 . 1 48 48 LEU N N 15 120.326 0.008 . 1 . . . . . 48 LEU N . 27332 1 228 . 1 . 1 49 49 GLN H H 1 8.079 0.002 . 1 . . . . . 49 GLN H . 27332 1 229 . 1 . 1 49 49 GLN C C 13 178.275 0.021 . 1 . . . . . 49 GLN C . 27332 1 230 . 1 . 1 49 49 GLN CA C 13 58.791 0.003 . 1 . . . . . 49 GLN CA . 27332 1 231 . 1 . 1 49 49 GLN CB C 13 28.113 0.040 . 1 . . . . . 49 GLN CB . 27332 1 232 . 1 . 1 49 49 GLN N N 15 117.792 0.005 . 1 . . . . . 49 GLN N . 27332 1 233 . 1 . 1 50 50 ASP H H 1 7.849 0.002 . 1 . . . . . 50 ASP H . 27332 1 234 . 1 . 1 50 50 ASP C C 13 178.985 0.019 . 1 . . . . . 50 ASP C . 27332 1 235 . 1 . 1 50 50 ASP CA C 13 57.426 0.083 . 1 . . . . . 50 ASP CA . 27332 1 236 . 1 . 1 50 50 ASP CB C 13 40.553 0.029 . 1 . . . . . 50 ASP CB . 27332 1 237 . 1 . 1 50 50 ASP N N 15 119.103 0.007 . 1 . . . . . 50 ASP N . 27332 1 238 . 1 . 1 51 51 MET H H 1 7.948 0.002 . 1 . . . . . 51 MET H . 27332 1 239 . 1 . 1 51 51 MET C C 13 178.489 0.010 . 1 . . . . . 51 MET C . 27332 1 240 . 1 . 1 51 51 MET CA C 13 59.763 0.045 . 1 . . . . . 51 MET CA . 27332 1 241 . 1 . 1 51 51 MET CB C 13 34.142 0.145 . 1 . . . . . 51 MET CB . 27332 1 242 . 1 . 1 51 51 MET N N 15 119.261 0.002 . 1 . . . . . 51 MET N . 27332 1 243 . 1 . 1 52 52 ILE H H 1 8.323 0.002 . 1 . . . . . 52 ILE H . 27332 1 244 . 1 . 1 52 52 ILE C C 13 177.586 0.019 . 1 . . . . . 52 ILE C . 27332 1 245 . 1 . 1 52 52 ILE CA C 13 65.427 0.031 . 1 . . . . . 52 ILE CA . 27332 1 246 . 1 . 1 52 52 ILE CB C 13 38.206 0.026 . 1 . . . . . 52 ILE CB . 27332 1 247 . 1 . 1 52 52 ILE N N 15 119.195 0.000 . 1 . . . . . 52 ILE N . 27332 1 248 . 1 . 1 53 53 ASN H H 1 8.261 0.001 . 1 . . . . . 53 ASN H . 27332 1 249 . 1 . 1 53 53 ASN C C 13 176.842 0.010 . 1 . . . . . 53 ASN C . 27332 1 250 . 1 . 1 53 53 ASN CA C 13 55.438 0.017 . 1 . . . . . 53 ASN CA . 27332 1 251 . 1 . 1 53 53 ASN CB C 13 38.253 0.000 . 1 . . . . . 53 ASN CB . 27332 1 252 . 1 . 1 53 53 ASN N N 15 117.581 0.006 . 1 . . . . . 53 ASN N . 27332 1 253 . 1 . 1 54 54 GLU H H 1 7.582 0.001 . 1 . . . . . 54 GLU H . 27332 1 254 . 1 . 1 54 54 GLU C C 13 177.793 0.026 . 1 . . . . . 54 GLU C . 27332 1 255 . 1 . 1 54 54 GLU CA C 13 58.533 0.016 . 1 . . . . . 54 GLU CA . 27332 1 256 . 1 . 1 54 54 GLU CB C 13 30.263 0.059 . 1 . . . . . 54 GLU CB . 27332 1 257 . 1 . 1 54 54 GLU N N 15 117.548 0.007 . 1 . . . . . 54 GLU N . 27332 1 258 . 1 . 1 55 55 VAL H H 1 7.621 0.002 . 1 . . . . . 55 VAL H . 27332 1 259 . 1 . 1 55 55 VAL C C 13 175.712 0.017 . 1 . . . . . 55 VAL C . 27332 1 260 . 1 . 1 55 55 VAL CA C 13 62.328 0.035 . 1 . . . . . 55 VAL CA . 27332 1 261 . 1 . 1 55 55 VAL CB C 13 32.887 0.035 . 1 . . . . . 55 VAL CB . 27332 1 262 . 1 . 1 55 55 VAL N N 15 113.092 0.001 . 1 . . . . . 55 VAL N . 27332 1 263 . 1 . 1 56 56 ASP H H 1 8.458 0.002 . 1 . . . . . 56 ASP H . 27332 1 264 . 1 . 1 56 56 ASP C C 13 176.885 0.011 . 1 . . . . . 56 ASP C . 27332 1 265 . 1 . 1 56 56 ASP CA C 13 53.709 0.013 . 1 . . . . . 56 ASP CA . 27332 1 266 . 1 . 1 56 56 ASP CB C 13 40.787 0.038 . 1 . . . . . 56 ASP CB . 27332 1 267 . 1 . 1 56 56 ASP N N 15 122.171 0.003 . 1 . . . . . 56 ASP N . 27332 1 268 . 1 . 1 57 57 ALA H H 1 8.160 0.001 . 1 . . . . . 57 ALA H . 27332 1 269 . 1 . 1 57 57 ALA C C 13 178.978 0.017 . 1 . . . . . 57 ALA C . 27332 1 270 . 1 . 1 57 57 ALA CA C 13 54.661 0.039 . 1 . . . . . 57 ALA CA . 27332 1 271 . 1 . 1 57 57 ALA CB C 13 19.049 0.024 . 1 . . . . . 57 ALA CB . 27332 1 272 . 1 . 1 57 57 ALA N N 15 125.117 0.002 . 1 . . . . . 57 ALA N . 27332 1 273 . 1 . 1 58 58 ASP H H 1 8.442 0.003 . 1 . . . . . 58 ASP H . 27332 1 274 . 1 . 1 58 58 ASP C C 13 177.063 0.010 . 1 . . . . . 58 ASP C . 27332 1 275 . 1 . 1 58 58 ASP CA C 13 54.600 0.016 . 1 . . . . . 58 ASP CA . 27332 1 276 . 1 . 1 58 58 ASP CB C 13 41.180 0.019 . 1 . . . . . 58 ASP CB . 27332 1 277 . 1 . 1 58 58 ASP N N 15 115.150 0.009 . 1 . . . . . 58 ASP N . 27332 1 278 . 1 . 1 59 59 GLY H H 1 7.931 0.002 . 1 . . . . . 59 GLY H . 27332 1 279 . 1 . 1 59 59 GLY C C 13 175.443 0.021 . 1 . . . . . 59 GLY C . 27332 1 280 . 1 . 1 59 59 GLY CA C 13 46.881 0.047 . 1 . . . . . 59 GLY CA . 27332 1 281 . 1 . 1 59 59 GLY N N 15 109.185 0.004 . 1 . . . . . 59 GLY N . 27332 1 282 . 1 . 1 60 60 ASN H H 1 9.230 0.007 . 1 . . . . . 60 ASN H . 27332 1 283 . 1 . 1 60 60 ASN C C 13 177.028 0.010 . 1 . . . . . 60 ASN C . 27332 1 284 . 1 . 1 60 60 ASN CA C 13 54.283 0.024 . 1 . . . . . 60 ASN CA . 27332 1 285 . 1 . 1 60 60 ASN CB C 13 39.403 0.027 . 1 . . . . . 60 ASN CB . 27332 1 286 . 1 . 1 60 60 ASN N N 15 119.896 0.007 . 1 . . . . . 60 ASN N . 27332 1 287 . 1 . 1 61 61 GLY H H 1 9.928 0.004 . 1 . . . . . 61 GLY H . 27332 1 288 . 1 . 1 61 61 GLY C C 13 174.575 0.000 . 1 . . . . . 61 GLY C . 27332 1 289 . 1 . 1 61 61 GLY CA C 13 45.945 0.060 . 1 . . . . . 61 GLY CA . 27332 1 290 . 1 . 1 61 61 GLY N N 15 110.293 0.008 . 1 . . . . . 61 GLY N . 27332 1 291 . 1 . 1 62 62 THR H H 1 7.579 0.002 . 1 . . . . . 62 THR H . 27332 1 292 . 1 . 1 62 62 THR C C 13 172.825 0.039 . 1 . . . . . 62 THR C . 27332 1 293 . 1 . 1 62 62 THR CA C 13 59.843 0.083 . 1 . . . . . 62 THR CA . 27332 1 294 . 1 . 1 62 62 THR CB C 13 72.670 0.012 . 1 . . . . . 62 THR CB . 27332 1 295 . 1 . 1 62 62 THR N N 15 111.065 0.011 . 1 . . . . . 62 THR N . 27332 1 296 . 1 . 1 63 63 ILE H H 1 8.915 0.005 . 1 . . . . . 63 ILE H . 27332 1 297 . 1 . 1 63 63 ILE C C 13 174.472 0.017 . 1 . . . . . 63 ILE C . 27332 1 298 . 1 . 1 63 63 ILE CA C 13 60.088 0.016 . 1 . . . . . 63 ILE CA . 27332 1 299 . 1 . 1 63 63 ILE CB C 13 41.861 0.009 . 1 . . . . . 63 ILE CB . 27332 1 300 . 1 . 1 63 63 ILE N N 15 119.069 0.008 . 1 . . . . . 63 ILE N . 27332 1 301 . 1 . 1 64 64 ASP H H 1 8.503 0.003 . 1 . . . . . 64 ASP H . 27332 1 302 . 1 . 1 64 64 ASP C C 13 176.181 0.026 . 1 . . . . . 64 ASP C . 27332 1 303 . 1 . 1 64 64 ASP CA C 13 52.029 0.015 . 1 . . . . . 64 ASP CA . 27332 1 304 . 1 . 1 64 64 ASP CB C 13 42.172 0.029 . 1 . . . . . 64 ASP CB . 27332 1 305 . 1 . 1 64 64 ASP N N 15 124.524 0.009 . 1 . . . . . 64 ASP N . 27332 1 306 . 1 . 1 65 65 PHE H H 1 8.659 0.002 . 1 . . . . . 65 PHE H . 27332 1 307 . 1 . 1 65 65 PHE C C 13 173.604 0.000 . 1 . . . . . 65 PHE C . 27332 1 308 . 1 . 1 65 65 PHE CA C 13 63.050 0.000 . 1 . . . . . 65 PHE CA . 27332 1 309 . 1 . 1 65 65 PHE CB C 13 36.564 0.000 . 1 . . . . . 65 PHE CB . 27332 1 310 . 1 . 1 65 65 PHE N N 15 118.771 0.002 . 1 . . . . . 65 PHE N . 27332 1 311 . 1 . 1 66 66 PRO C C 13 179.929 0.000 . 1 . . . . . 66 PRO C . 27332 1 312 . 1 . 1 66 66 PRO CA C 13 66.615 0.000 . 1 . . . . . 66 PRO CA . 27332 1 313 . 1 . 1 66 66 PRO CB C 13 30.731 0.000 . 1 . . . . . 66 PRO CB . 27332 1 314 . 1 . 1 67 67 GLU H H 1 8.089 0.001 . 1 . . . . . 67 GLU H . 27332 1 315 . 1 . 1 67 67 GLU C C 13 179.095 0.026 . 1 . . . . . 67 GLU C . 27332 1 316 . 1 . 1 67 67 GLU CA C 13 59.230 0.037 . 1 . . . . . 67 GLU CA . 27332 1 317 . 1 . 1 67 67 GLU CB C 13 29.322 0.007 . 1 . . . . . 67 GLU CB . 27332 1 318 . 1 . 1 67 67 GLU N N 15 117.791 0.005 . 1 . . . . . 67 GLU N . 27332 1 319 . 1 . 1 68 68 PHE H H 1 8.491 0.001 . 1 . . . . . 68 PHE H . 27332 1 320 . 1 . 1 68 68 PHE C C 13 176.801 0.010 . 1 . . . . . 68 PHE C . 27332 1 321 . 1 . 1 68 68 PHE CA C 13 61.403 0.014 . 1 . . . . . 68 PHE CA . 27332 1 322 . 1 . 1 68 68 PHE CB C 13 39.568 0.051 . 1 . . . . . 68 PHE CB . 27332 1 323 . 1 . 1 68 68 PHE N N 15 122.641 0.011 . 1 . . . . . 68 PHE N . 27332 1 324 . 1 . 1 69 69 LEU H H 1 8.475 0.002 . 1 . . . . . 69 LEU H . 27332 1 325 . 1 . 1 69 69 LEU C C 13 179.412 0.034 . 1 . . . . . 69 LEU C . 27332 1 326 . 1 . 1 69 69 LEU CA C 13 57.882 0.033 . 1 . . . . . 69 LEU CA . 27332 1 327 . 1 . 1 69 69 LEU CB C 13 41.171 0.029 . 1 . . . . . 69 LEU CB . 27332 1 328 . 1 . 1 69 69 LEU N N 15 118.761 0.015 . 1 . . . . . 69 LEU N . 27332 1 329 . 1 . 1 70 70 THR H H 1 7.737 0.002 . 1 . . . . . 70 THR H . 27332 1 330 . 1 . 1 70 70 THR C C 13 176.642 0.000 . 1 . . . . . 70 THR C . 27332 1 331 . 1 . 1 70 70 THR CA C 13 66.557 0.054 . 1 . . . . . 70 THR CA . 27332 1 332 . 1 . 1 70 70 THR CB C 13 68.449 0.026 . 1 . . . . . 70 THR CB . 27332 1 333 . 1 . 1 70 70 THR N N 15 115.739 0.007 . 1 . . . . . 70 THR N . 27332 1 334 . 1 . 1 71 71 MET H H 1 7.755 0.003 . 1 . . . . . 71 MET H . 27332 1 335 . 1 . 1 71 71 MET C C 13 178.641 0.010 . 1 . . . . . 71 MET C . 27332 1 336 . 1 . 1 71 71 MET CA C 13 59.053 0.033 . 1 . . . . . 71 MET CA . 27332 1 337 . 1 . 1 71 71 MET CB C 13 32.689 0.015 . 1 . . . . . 71 MET CB . 27332 1 338 . 1 . 1 71 71 MET N N 15 121.599 0.011 . 1 . . . . . 71 MET N . 27332 1 339 . 1 . 1 72 72 MET H H 1 8.043 0.003 . 1 . . . . . 72 MET H . 27332 1 340 . 1 . 1 72 72 MET C C 13 178.668 0.000 . 1 . . . . . 72 MET C . 27332 1 341 . 1 . 1 72 72 MET CA C 13 55.956 0.076 . 1 . . . . . 72 MET CA . 27332 1 342 . 1 . 1 72 72 MET CB C 13 30.910 0.040 . 1 . . . . . 72 MET CB . 27332 1 343 . 1 . 1 72 72 MET N N 15 117.792 0.006 . 1 . . . . . 72 MET N . 27332 1 344 . 1 . 1 73 73 ALA H H 1 8.318 0.002 . 1 . . . . . 73 ALA H . 27332 1 345 . 1 . 1 73 73 ALA C C 13 179.922 0.042 . 1 . . . . . 73 ALA C . 27332 1 346 . 1 . 1 73 73 ALA CA C 13 55.032 0.027 . 1 . . . . . 73 ALA CA . 27332 1 347 . 1 . 1 73 73 ALA CB C 13 18.058 0.043 . 1 . . . . . 73 ALA CB . 27332 1 348 . 1 . 1 73 73 ALA N N 15 121.487 0.005 . 1 . . . . . 73 ALA N . 27332 1 349 . 1 . 1 74 74 ARG H H 1 7.478 0.001 . 1 . . . . . 74 ARG H . 27332 1 350 . 1 . 1 74 74 ARG C C 13 178.275 0.000 . 1 . . . . . 74 ARG C . 27332 1 351 . 1 . 1 74 74 ARG CA C 13 58.765 0.018 . 1 . . . . . 74 ARG CA . 27332 1 352 . 1 . 1 74 74 ARG CB C 13 30.295 0.001 . 1 . . . . . 74 ARG CB . 27332 1 353 . 1 . 1 74 74 ARG N N 15 116.800 0.004 . 1 . . . . . 74 ARG N . 27332 1 354 . 1 . 1 75 75 LYS H H 1 7.719 0.002 . 1 . . . . . 75 LYS H . 27332 1 355 . 1 . 1 75 75 LYS C C 13 177.876 0.010 . 1 . . . . . 75 LYS C . 27332 1 356 . 1 . 1 75 75 LYS CA C 13 56.675 0.103 . 1 . . . . . 75 LYS CA . 27332 1 357 . 1 . 1 75 75 LYS CB C 13 31.932 0.025 . 1 . . . . . 75 LYS CB . 27332 1 358 . 1 . 1 75 75 LYS N N 15 118.304 0.008 . 1 . . . . . 75 LYS N . 27332 1 359 . 1 . 1 76 76 MET H H 1 7.918 0.001 . 1 . . . . . 76 MET H . 27332 1 360 . 1 . 1 76 76 MET C C 13 176.611 0.010 . 1 . . . . . 76 MET C . 27332 1 361 . 1 . 1 76 76 MET CA C 13 56.526 0.000 . 1 . . . . . 76 MET CA . 27332 1 362 . 1 . 1 76 76 MET CB C 13 33.036 0.067 . 1 . . . . . 76 MET CB . 27332 1 363 . 1 . 1 76 76 MET N N 15 117.583 0.002 . 1 . . . . . 76 MET N . 27332 1 364 . 1 . 1 77 77 LYS H H 1 7.683 0.002 . 1 . . . . . 77 LYS H . 27332 1 365 . 1 . 1 77 77 LYS C C 13 176.360 0.049 . 1 . . . . . 77 LYS C . 27332 1 366 . 1 . 1 77 77 LYS CA C 13 56.750 0.005 . 1 . . . . . 77 LYS CA . 27332 1 367 . 1 . 1 77 77 LYS CB C 13 33.088 0.062 . 1 . . . . . 77 LYS CB . 27332 1 368 . 1 . 1 77 77 LYS N N 15 120.318 0.001 . 1 . . . . . 77 LYS N . 27332 1 369 . 1 . 1 78 78 ASP H H 1 8.223 0.001 . 1 . . . . . 78 ASP H . 27332 1 370 . 1 . 1 78 78 ASP C C 13 176.280 0.010 . 1 . . . . . 78 ASP C . 27332 1 371 . 1 . 1 78 78 ASP CA C 13 54.729 0.009 . 1 . . . . . 78 ASP CA . 27332 1 372 . 1 . 1 78 78 ASP CB C 13 41.128 0.024 . 1 . . . . . 78 ASP CB . 27332 1 373 . 1 . 1 78 78 ASP N N 15 121.381 0.015 . 1 . . . . . 78 ASP N . 27332 1 374 . 1 . 1 79 79 THR H H 1 7.984 0.002 . 1 . . . . . 79 THR H . 27332 1 375 . 1 . 1 79 79 THR C C 13 173.969 0.035 . 1 . . . . . 79 THR C . 27332 1 376 . 1 . 1 79 79 THR CA C 13 61.975 0.000 . 1 . . . . . 79 THR CA . 27332 1 377 . 1 . 1 79 79 THR CB C 13 70.235 0.039 . 1 . . . . . 79 THR CB . 27332 1 378 . 1 . 1 79 79 THR N N 15 114.277 0.006 . 1 . . . . . 79 THR N . 27332 1 379 . 1 . 1 80 80 ASP H H 1 8.299 0.001 . 1 . . . . . 80 ASP H . 27332 1 380 . 1 . 1 80 80 ASP C C 13 175.836 0.017 . 1 . . . . . 80 ASP C . 27332 1 381 . 1 . 1 80 80 ASP CA C 13 54.335 0.015 . 1 . . . . . 80 ASP CA . 27332 1 382 . 1 . 1 80 80 ASP CB C 13 41.929 0.073 . 1 . . . . . 80 ASP CB . 27332 1 383 . 1 . 1 80 80 ASP N N 15 123.033 0.005 . 1 . . . . . 80 ASP N . 27332 1 384 . 1 . 1 81 81 SER H H 1 8.542 0.002 . 1 . . . . . 81 SER H . 27332 1 385 . 1 . 1 81 81 SER C C 13 175.092 0.000 . 1 . . . . . 81 SER C . 27332 1 386 . 1 . 1 81 81 SER CA C 13 58.594 0.038 . 1 . . . . . 81 SER CA . 27332 1 387 . 1 . 1 81 81 SER CB C 13 64.715 0.007 . 1 . . . . . 81 SER CB . 27332 1 388 . 1 . 1 81 81 SER N N 15 117.316 0.010 . 1 . . . . . 81 SER N . 27332 1 389 . 1 . 1 82 82 GLU H H 1 8.842 0.002 . 1 . . . . . 82 GLU H . 27332 1 390 . 1 . 1 82 82 GLU C C 13 178.048 0.000 . 1 . . . . . 82 GLU C . 27332 1 391 . 1 . 1 82 82 GLU CA C 13 60.214 0.023 . 1 . . . . . 82 GLU CA . 27332 1 392 . 1 . 1 82 82 GLU CB C 13 29.635 0.008 . 1 . . . . . 82 GLU CB . 27332 1 393 . 1 . 1 82 82 GLU N N 15 122.509 0.004 . 1 . . . . . 82 GLU N . 27332 1 394 . 1 . 1 83 83 GLU H H 1 8.434 0.002 . 1 . . . . . 83 GLU H . 27332 1 395 . 1 . 1 83 83 GLU C C 13 178.572 0.026 . 1 . . . . . 83 GLU C . 27332 1 396 . 1 . 1 83 83 GLU CA C 13 59.597 0.032 . 1 . . . . . 83 GLU CA . 27332 1 397 . 1 . 1 83 83 GLU CB C 13 29.355 0.009 . 1 . . . . . 83 GLU CB . 27332 1 398 . 1 . 1 83 83 GLU N N 15 118.494 0.001 . 1 . . . . . 83 GLU N . 27332 1 399 . 1 . 1 84 84 GLU H H 1 7.872 0.002 . 1 . . . . . 84 GLU H . 27332 1 400 . 1 . 1 84 84 GLU C C 13 179.722 0.021 . 1 . . . . . 84 GLU C . 27332 1 401 . 1 . 1 84 84 GLU CA C 13 59.353 0.093 . 1 . . . . . 84 GLU CA . 27332 1 402 . 1 . 1 84 84 GLU CB C 13 30.000 0.048 . 1 . . . . . 84 GLU CB . 27332 1 403 . 1 . 1 84 84 GLU N N 15 118.873 0.016 . 1 . . . . . 84 GLU N . 27332 1 404 . 1 . 1 85 85 ILE H H 1 8.081 0.001 . 1 . . . . . 85 ILE H . 27332 1 405 . 1 . 1 85 85 ILE C C 13 177.752 0.019 . 1 . . . . . 85 ILE C . 27332 1 406 . 1 . 1 85 85 ILE CA C 13 63.554 0.041 . 1 . . . . . 85 ILE CA . 27332 1 407 . 1 . 1 85 85 ILE CB C 13 36.400 0.008 . 1 . . . . . 85 ILE CB . 27332 1 408 . 1 . 1 85 85 ILE N N 15 119.831 0.011 . 1 . . . . . 85 ILE N . 27332 1 409 . 1 . 1 86 86 ARG H H 1 8.616 0.002 . 1 . . . . . 86 ARG H . 27332 1 410 . 1 . 1 86 86 ARG C C 13 178.406 0.049 . 1 . . . . . 86 ARG C . 27332 1 411 . 1 . 1 86 86 ARG CA C 13 61.596 0.004 . 1 . . . . . 86 ARG CA . 27332 1 412 . 1 . 1 86 86 ARG CB C 13 30.431 0.084 . 1 . . . . . 86 ARG CB . 27332 1 413 . 1 . 1 86 86 ARG N N 15 121.568 0.006 . 1 . . . . . 86 ARG N . 27332 1 414 . 1 . 1 87 87 GLU H H 1 8.291 0.001 . 1 . . . . . 87 GLU H . 27332 1 415 . 1 . 1 87 87 GLU C C 13 178.296 0.000 . 1 . . . . . 87 GLU C . 27332 1 416 . 1 . 1 87 87 GLU CA C 13 58.953 0.070 . 1 . . . . . 87 GLU CA . 27332 1 417 . 1 . 1 87 87 GLU CB C 13 29.350 0.003 . 1 . . . . . 87 GLU CB . 27332 1 418 . 1 . 1 87 87 GLU N N 15 116.406 0.011 . 1 . . . . . 87 GLU N . 27332 1 419 . 1 . 1 88 88 ALA H H 1 7.601 0.002 . 1 . . . . . 88 ALA H . 27332 1 420 . 1 . 1 88 88 ALA C C 13 178.013 0.010 . 1 . . . . . 88 ALA C . 27332 1 421 . 1 . 1 88 88 ALA CA C 13 55.074 0.069 . 1 . . . . . 88 ALA CA . 27332 1 422 . 1 . 1 88 88 ALA CB C 13 18.145 0.048 . 1 . . . . . 88 ALA CB . 27332 1 423 . 1 . 1 88 88 ALA N N 15 122.122 0.004 . 1 . . . . . 88 ALA N . 27332 1 424 . 1 . 1 89 89 PHE H H 1 7.658 0.002 . 1 . . . . . 89 PHE H . 27332 1 425 . 1 . 1 89 89 PHE C C 13 178.668 0.041 . 1 . . . . . 89 PHE C . 27332 1 426 . 1 . 1 89 89 PHE CA C 13 62.496 0.065 . 1 . . . . . 89 PHE CA . 27332 1 427 . 1 . 1 89 89 PHE CB C 13 40.487 0.073 . 1 . . . . . 89 PHE CB . 27332 1 428 . 1 . 1 89 89 PHE N N 15 113.595 0.002 . 1 . . . . . 89 PHE N . 27332 1 429 . 1 . 1 90 90 ARG H H 1 7.881 0.002 . 1 . . . . . 90 ARG H . 27332 1 430 . 1 . 1 90 90 ARG C C 13 179.033 0.026 . 1 . . . . . 90 ARG C . 27332 1 431 . 1 . 1 90 90 ARG CA C 13 59.416 0.056 . 1 . . . . . 90 ARG CA . 27332 1 432 . 1 . 1 90 90 ARG CB C 13 30.123 0.047 . 1 . . . . . 90 ARG CB . 27332 1 433 . 1 . 1 90 90 ARG N N 15 117.141 0.006 . 1 . . . . . 90 ARG N . 27332 1 434 . 1 . 1 91 91 VAL H H 1 6.920 0.003 . 1 . . . . . 91 VAL H . 27332 1 435 . 1 . 1 91 91 VAL C C 13 176.442 0.010 . 1 . . . . . 91 VAL C . 27332 1 436 . 1 . 1 91 91 VAL CA C 13 64.767 0.014 . 1 . . . . . 91 VAL CA . 27332 1 437 . 1 . 1 91 91 VAL CB C 13 31.407 0.059 . 1 . . . . . 91 VAL CB . 27332 1 438 . 1 . 1 91 91 VAL N N 15 117.026 0.008 . 1 . . . . . 91 VAL N . 27332 1 439 . 1 . 1 92 92 PHE H H 1 7.401 0.003 . 1 . . . . . 92 PHE H . 27332 1 440 . 1 . 1 92 92 PHE C C 13 174.255 0.031 . 1 . . . . . 92 PHE C . 27332 1 441 . 1 . 1 92 92 PHE CA C 13 58.134 0.038 . 1 . . . . . 92 PHE CA . 27332 1 442 . 1 . 1 92 92 PHE CB C 13 39.199 0.010 . 1 . . . . . 92 PHE CB . 27332 1 443 . 1 . 1 92 92 PHE N N 15 117.534 0.002 . 1 . . . . . 92 PHE N . 27332 1 444 . 1 . 1 93 93 ASP H H 1 7.477 0.005 . 1 . . . . . 93 ASP H . 27332 1 445 . 1 . 1 93 93 ASP C C 13 176.229 0.017 . 1 . . . . . 93 ASP C . 27332 1 446 . 1 . 1 93 93 ASP CA C 13 52.460 0.016 . 1 . . . . . 93 ASP CA . 27332 1 447 . 1 . 1 93 93 ASP CB C 13 40.523 0.036 . 1 . . . . . 93 ASP CB . 27332 1 448 . 1 . 1 93 93 ASP N N 15 120.458 0.007 . 1 . . . . . 93 ASP N . 27332 1 449 . 1 . 1 94 94 LYS H H 1 8.419 0.007 . 1 . . . . . 94 LYS H . 27332 1 450 . 1 . 1 94 94 LYS C C 13 178.124 0.010 . 1 . . . . . 94 LYS C . 27332 1 451 . 1 . 1 94 94 LYS CA C 13 58.752 0.047 . 1 . . . . . 94 LYS CA . 27332 1 452 . 1 . 1 94 94 LYS CB C 13 32.546 0.015 . 1 . . . . . 94 LYS CB . 27332 1 453 . 1 . 1 94 94 LYS N N 15 125.106 0.008 . 1 . . . . . 94 LYS N . 27332 1 454 . 1 . 1 95 95 ASP H H 1 8.482 0.001 . 1 . . . . . 95 ASP H . 27332 1 455 . 1 . 1 95 95 ASP C C 13 177.035 0.000 . 1 . . . . . 95 ASP C . 27332 1 456 . 1 . 1 95 95 ASP CA C 13 55.201 0.040 . 1 . . . . . 95 ASP CA . 27332 1 457 . 1 . 1 95 95 ASP CB C 13 41.682 0.042 . 1 . . . . . 95 ASP CB . 27332 1 458 . 1 . 1 95 95 ASP N N 15 117.190 0.005 . 1 . . . . . 95 ASP N . 27332 1 459 . 1 . 1 96 96 GLY H H 1 8.335 0.005 . 1 . . . . . 96 GLY H . 27332 1 460 . 1 . 1 96 96 GLY C C 13 175.020 0.052 . 1 . . . . . 96 GLY C . 27332 1 461 . 1 . 1 96 96 GLY CA C 13 46.784 0.015 . 1 . . . . . 96 GLY CA . 27332 1 462 . 1 . 1 96 96 GLY N N 15 109.673 0.004 . 1 . . . . . 96 GLY N . 27332 1 463 . 1 . 1 97 97 ASN H H 1 8.762 0.008 . 1 . . . . . 97 ASN H . 27332 1 464 . 1 . 1 97 97 ASN C C 13 175.867 0.010 . 1 . . . . . 97 ASN C . 27332 1 465 . 1 . 1 97 97 ASN CA C 13 53.411 0.032 . 1 . . . . . 97 ASN CA . 27332 1 466 . 1 . 1 97 97 ASN CB C 13 39.811 0.072 . 1 . . . . . 97 ASN CB . 27332 1 467 . 1 . 1 97 97 ASN N N 15 117.851 0.010 . 1 . . . . . 97 ASN N . 27332 1 468 . 1 . 1 98 98 GLY H H 1 9.636 0.007 . 1 . . . . . 98 GLY H . 27332 1 469 . 1 . 1 98 98 GLY C C 13 172.570 0.000 . 1 . . . . . 98 GLY C . 27332 1 470 . 1 . 1 98 98 GLY CA C 13 45.430 0.004 . 1 . . . . . 98 GLY CA . 27332 1 471 . 1 . 1 98 98 GLY N N 15 109.836 0.010 . 1 . . . . . 98 GLY N . 27332 1 472 . 1 . 1 99 99 TYR H H 1 8.016 0.003 . 1 . . . . . 99 TYR H . 27332 1 473 . 1 . 1 99 99 TYR C C 13 174.792 0.052 . 1 . . . . . 99 TYR C . 27332 1 474 . 1 . 1 99 99 TYR CA C 13 56.059 0.029 . 1 . . . . . 99 TYR CA . 27332 1 475 . 1 . 1 99 99 TYR CB C 13 42.126 0.004 . 1 . . . . . 99 TYR CB . 27332 1 476 . 1 . 1 99 99 TYR N N 15 117.791 0.006 . 1 . . . . . 99 TYR N . 27332 1 477 . 1 . 1 100 100 ILE H H 1 8.759 0.002 . 1 . . . . . 100 ILE H . 27332 1 478 . 1 . 1 100 100 ILE C C 13 174.520 0.019 . 1 . . . . . 100 ILE C . 27332 1 479 . 1 . 1 100 100 ILE CA C 13 59.673 0.045 . 1 . . . . . 100 ILE CA . 27332 1 480 . 1 . 1 100 100 ILE CB C 13 43.062 0.071 . 1 . . . . . 100 ILE CB . 27332 1 481 . 1 . 1 100 100 ILE N N 15 117.115 0.007 . 1 . . . . . 100 ILE N . 27332 1 482 . 1 . 1 101 101 SER H H 1 9.132 0.003 . 1 . . . . . 101 SER H . 27332 1 483 . 1 . 1 101 101 SER C C 13 175.485 0.000 . 1 . . . . . 101 SER C . 27332 1 484 . 1 . 1 101 101 SER CA C 13 58.594 0.039 . 1 . . . . . 101 SER CA . 27332 1 485 . 1 . 1 101 101 SER CB C 13 64.022 0.029 . 1 . . . . . 101 SER CB . 27332 1 486 . 1 . 1 101 101 SER N N 15 123.322 0.004 . 1 . . . . . 101 SER N . 27332 1 487 . 1 . 1 102 102 ALA H H 1 8.994 0.004 . 1 . . . . . 102 ALA H . 27332 1 488 . 1 . 1 102 102 ALA C C 13 179.323 0.026 . 1 . . . . . 102 ALA C . 27332 1 489 . 1 . 1 102 102 ALA CA C 13 55.602 0.026 . 1 . . . . . 102 ALA CA . 27332 1 490 . 1 . 1 102 102 ALA CB C 13 18.167 0.112 . 1 . . . . . 102 ALA CB . 27332 1 491 . 1 . 1 102 102 ALA N N 15 127.459 0.008 . 1 . . . . . 102 ALA N . 27332 1 492 . 1 . 1 103 103 ALA H H 1 8.420 0.002 . 1 . . . . . 103 ALA H . 27332 1 493 . 1 . 1 103 103 ALA C C 13 180.904 0.018 . 1 . . . . . 103 ALA C . 27332 1 494 . 1 . 1 103 103 ALA CA C 13 55.298 0.025 . 1 . . . . . 103 ALA CA . 27332 1 495 . 1 . 1 103 103 ALA CB C 13 18.392 0.000 . 1 . . . . . 103 ALA CB . 27332 1 496 . 1 . 1 103 103 ALA N N 15 119.402 0.008 . 1 . . . . . 103 ALA N . 27332 1 497 . 1 . 1 104 104 GLU H H 1 7.917 0.001 . 1 . . . . . 104 GLU H . 27332 1 498 . 1 . 1 104 104 GLU C C 13 178.535 0.009 . 1 . . . . . 104 GLU C . 27332 1 499 . 1 . 1 104 104 GLU CA C 13 58.977 0.018 . 1 . . . . . 104 GLU CA . 27332 1 500 . 1 . 1 104 104 GLU CB C 13 29.492 0.035 . 1 . . . . . 104 GLU CB . 27332 1 501 . 1 . 1 104 104 GLU N N 15 121.062 0.006 . 1 . . . . . 104 GLU N . 27332 1 502 . 1 . 1 105 105 LEU H H 1 8.582 0.002 . 1 . . . . . 105 LEU H . 27332 1 503 . 1 . 1 105 105 LEU C C 13 177.914 0.010 . 1 . . . . . 105 LEU C . 27332 1 504 . 1 . 1 105 105 LEU CA C 13 57.853 0.046 . 1 . . . . . 105 LEU CA . 27332 1 505 . 1 . 1 105 105 LEU CB C 13 41.564 0.031 . 1 . . . . . 105 LEU CB . 27332 1 506 . 1 . 1 105 105 LEU N N 15 120.323 0.007 . 1 . . . . . 105 LEU N . 27332 1 507 . 1 . 1 106 106 ARG H H 1 8.398 0.003 . 1 . . . . . 106 ARG H . 27332 1 508 . 1 . 1 106 106 ARG C C 13 178.503 0.017 . 1 . . . . . 106 ARG C . 27332 1 509 . 1 . 1 106 106 ARG CA C 13 59.830 0.042 . 1 . . . . . 106 ARG CA . 27332 1 510 . 1 . 1 106 106 ARG CB C 13 30.125 0.080 . 1 . . . . . 106 ARG CB . 27332 1 511 . 1 . 1 106 106 ARG N N 15 117.367 0.011 . 1 . . . . . 106 ARG N . 27332 1 512 . 1 . 1 107 107 HIS H H 1 7.808 0.002 . 1 . . . . . 107 HIS H . 27332 1 513 . 1 . 1 107 107 HIS C C 13 177.821 0.000 . 1 . . . . . 107 HIS C . 27332 1 514 . 1 . 1 107 107 HIS CA C 13 60.585 0.071 . 1 . . . . . 107 HIS CA . 27332 1 515 . 1 . 1 107 107 HIS CB C 13 30.036 0.016 . 1 . . . . . 107 HIS CB . 27332 1 516 . 1 . 1 107 107 HIS N N 15 118.876 0.008 . 1 . . . . . 107 HIS N . 27332 1 517 . 1 . 1 108 108 VAL H H 1 8.597 0.003 . 1 . . . . . 108 VAL H . 27332 1 518 . 1 . 1 108 108 VAL C C 13 177.821 0.000 . 1 . . . . . 108 VAL C . 27332 1 519 . 1 . 1 108 108 VAL CA C 13 66.578 0.008 . 1 . . . . . 108 VAL CA . 27332 1 520 . 1 . 1 108 108 VAL CB C 13 31.963 0.020 . 1 . . . . . 108 VAL CB . 27332 1 521 . 1 . 1 108 108 VAL N N 15 118.023 0.011 . 1 . . . . . 108 VAL N . 27332 1 522 . 1 . 1 109 109 MET H H 1 8.120 0.002 . 1 . . . . . 109 MET H . 27332 1 523 . 1 . 1 109 109 MET C C 13 178.296 0.000 . 1 . . . . . 109 MET C . 27332 1 524 . 1 . 1 109 109 MET CA C 13 56.385 0.097 . 1 . . . . . 109 MET CA . 27332 1 525 . 1 . 1 109 109 MET CB C 13 36.729 0.094 . 1 . . . . . 109 MET CB . 27332 1 526 . 1 . 1 109 109 MET N N 15 112.107 0.010 . 1 . . . . . 109 MET N . 27332 1 527 . 1 . 1 110 110 THR H H 1 7.487 0.002 . 1 . . . . . 110 THR H . 27332 1 528 . 1 . 1 110 110 THR C C 13 174.627 0.031 . 1 . . . . . 110 THR C . 27332 1 529 . 1 . 1 110 110 THR CA C 13 61.930 0.033 . 1 . . . . . 110 THR CA . 27332 1 530 . 1 . 1 110 110 THR CB C 13 70.800 0.020 . 1 . . . . . 110 THR CB . 27332 1 531 . 1 . 1 110 110 THR N N 15 104.133 0.001 . 1 . . . . . 110 THR N . 27332 1 532 . 1 . 1 111 111 ASN H H 1 7.381 0.002 . 1 . . . . . 111 ASN H . 27332 1 533 . 1 . 1 111 111 ASN C C 13 173.452 0.049 . 1 . . . . . 111 ASN C . 27332 1 534 . 1 . 1 111 111 ASN CA C 13 54.794 0.000 . 1 . . . . . 111 ASN CA . 27332 1 535 . 1 . 1 111 111 ASN CB C 13 41.256 0.003 . 1 . . . . . 111 ASN CB . 27332 1 536 . 1 . 1 111 111 ASN N N 15 116.779 0.008 . 1 . . . . . 111 ASN N . 27332 1 537 . 1 . 1 112 112 LEU H H 1 7.596 0.005 . 1 . . . . . 112 LEU H . 27332 1 538 . 1 . 1 112 112 LEU C C 13 176.759 0.010 . 1 . . . . . 112 LEU C . 27332 1 539 . 1 . 1 112 112 LEU CA C 13 53.820 0.044 . 1 . . . . . 112 LEU CA . 27332 1 540 . 1 . 1 112 112 LEU CB C 13 46.019 0.037 . 1 . . . . . 112 LEU CB . 27332 1 541 . 1 . 1 112 112 LEU N N 15 119.966 0.008 . 1 . . . . . 112 LEU N . 27332 1 542 . 1 . 1 113 113 GLY H H 1 9.099 0.001 . 1 . . . . . 113 GLY H . 27332 1 543 . 1 . 1 113 113 GLY C C 13 175.877 0.017 . 1 . . . . . 113 GLY C . 27332 1 544 . 1 . 1 113 113 GLY CA C 13 47.261 0.045 . 1 . . . . . 113 GLY CA . 27332 1 545 . 1 . 1 113 113 GLY N N 15 106.316 0.012 . 1 . . . . . 113 GLY N . 27332 1 546 . 1 . 1 114 114 GLU H H 1 9.253 0.002 . 1 . . . . . 114 GLU H . 27332 1 547 . 1 . 1 114 114 GLU C C 13 175.374 0.010 . 1 . . . . . 114 GLU C . 27332 1 548 . 1 . 1 114 114 GLU CA C 13 54.886 0.026 . 1 . . . . . 114 GLU CA . 27332 1 549 . 1 . 1 114 114 GLU CB C 13 26.624 0.016 . 1 . . . . . 114 GLU CB . 27332 1 550 . 1 . 1 114 114 GLU N N 15 130.066 0.007 . 1 . . . . . 114 GLU N . 27332 1 551 . 1 . 1 115 115 LYS H H 1 6.826 0.002 . 1 . . . . . 115 LYS H . 27332 1 552 . 1 . 1 115 115 LYS C C 13 177.821 0.000 . 1 . . . . . 115 LYS C . 27332 1 553 . 1 . 1 115 115 LYS CA C 13 57.761 0.009 . 1 . . . . . 115 LYS CA . 27332 1 554 . 1 . 1 115 115 LYS CB C 13 33.686 0.026 . 1 . . . . . 115 LYS CB . 27332 1 555 . 1 . 1 115 115 LYS N N 15 115.693 0.004 . 1 . . . . . 115 LYS N . 27332 1 556 . 1 . 1 116 116 LEU H H 1 8.450 0.001 . 1 . . . . . 116 LEU H . 27332 1 557 . 1 . 1 116 116 LEU C C 13 177.501 0.010 . 1 . . . . . 116 LEU C . 27332 1 558 . 1 . 1 116 116 LEU CA C 13 54.460 0.041 . 1 . . . . . 116 LEU CA . 27332 1 559 . 1 . 1 116 116 LEU CB C 13 41.905 0.015 . 1 . . . . . 116 LEU CB . 27332 1 560 . 1 . 1 116 116 LEU N N 15 122.384 0.000 . 1 . . . . . 116 LEU N . 27332 1 561 . 1 . 1 117 117 THR H H 1 9.402 0.003 . 1 . . . . . 117 THR H . 27332 1 562 . 1 . 1 117 117 THR C C 13 175.209 0.026 . 1 . . . . . 117 THR C . 27332 1 563 . 1 . 1 117 117 THR CA C 13 60.913 0.051 . 1 . . . . . 117 THR CA . 27332 1 564 . 1 . 1 117 117 THR CB C 13 71.248 0.033 . 1 . . . . . 117 THR CB . 27332 1 565 . 1 . 1 117 117 THR N N 15 112.500 0.035 . 1 . . . . . 117 THR N . 27332 1 566 . 1 . 1 118 118 ASP H H 1 8.737 0.002 . 1 . . . . . 118 ASP H . 27332 1 567 . 1 . 1 118 118 ASP C C 13 177.655 0.021 . 1 . . . . . 118 ASP C . 27332 1 568 . 1 . 1 118 118 ASP CA C 13 57.863 0.010 . 1 . . . . . 118 ASP CA . 27332 1 569 . 1 . 1 118 118 ASP CB C 13 40.264 0.046 . 1 . . . . . 118 ASP CB . 27332 1 570 . 1 . 1 118 118 ASP N N 15 120.446 0.003 . 1 . . . . . 118 ASP N . 27332 1 571 . 1 . 1 119 119 GLU H H 1 8.365 0.003 . 1 . . . . . 119 GLU H . 27332 1 572 . 1 . 1 119 119 GLU C C 13 180.191 0.026 . 1 . . . . . 119 GLU C . 27332 1 573 . 1 . 1 119 119 GLU CA C 13 59.908 0.026 . 1 . . . . . 119 GLU CA . 27332 1 574 . 1 . 1 119 119 GLU CB C 13 29.594 0.002 . 1 . . . . . 119 GLU CB . 27332 1 575 . 1 . 1 119 119 GLU N N 15 117.180 0.007 . 1 . . . . . 119 GLU N . 27332 1 576 . 1 . 1 120 120 GLU H H 1 7.836 0.003 . 1 . . . . . 120 GLU H . 27332 1 577 . 1 . 1 120 120 GLU C C 13 178.709 0.029 . 1 . . . . . 120 GLU C . 27332 1 578 . 1 . 1 120 120 GLU CA C 13 59.575 0.064 . 1 . . . . . 120 GLU CA . 27332 1 579 . 1 . 1 120 120 GLU CB C 13 32.329 0.020 . 1 . . . . . 120 GLU CB . 27332 1 580 . 1 . 1 120 120 GLU N N 15 119.781 0.000 . 1 . . . . . 120 GLU N . 27332 1 581 . 1 . 1 121 121 VAL H H 1 8.771 0.003 . 1 . . . . . 121 VAL H . 27332 1 582 . 1 . 1 121 121 VAL C C 13 176.415 0.000 . 1 . . . . . 121 VAL C . 27332 1 583 . 1 . 1 121 121 VAL CA C 13 64.618 0.017 . 1 . . . . . 121 VAL CA . 27332 1 584 . 1 . 1 121 121 VAL CB C 13 31.320 0.031 . 1 . . . . . 121 VAL CB . 27332 1 585 . 1 . 1 121 121 VAL N N 15 118.496 0.008 . 1 . . . . . 121 VAL N . 27332 1 586 . 1 . 1 122 122 ASP H H 1 8.291 0.002 . 1 . . . . . 122 ASP H . 27332 1 587 . 1 . 1 122 122 ASP C C 13 179.826 0.045 . 1 . . . . . 122 ASP C . 27332 1 588 . 1 . 1 122 122 ASP CA C 13 57.608 0.039 . 1 . . . . . 122 ASP CA . 27332 1 589 . 1 . 1 122 122 ASP CB C 13 39.962 0.033 . 1 . . . . . 122 ASP CB . 27332 1 590 . 1 . 1 122 122 ASP N N 15 123.440 0.005 . 1 . . . . . 122 ASP N . 27332 1 591 . 1 . 1 123 123 GLU H H 1 7.453 0.002 . 1 . . . . . 123 GLU H . 27332 1 592 . 1 . 1 123 123 GLU C C 13 177.572 0.000 . 1 . . . . . 123 GLU C . 27332 1 593 . 1 . 1 123 123 GLU CA C 13 59.018 0.022 . 1 . . . . . 123 GLU CA . 27332 1 594 . 1 . 1 123 123 GLU CB C 13 28.796 0.042 . 1 . . . . . 123 GLU CB . 27332 1 595 . 1 . 1 123 123 GLU N N 15 121.015 0.006 . 1 . . . . . 123 GLU N . 27332 1 596 . 1 . 1 124 124 MET H H 1 8.116 0.003 . 1 . . . . . 124 MET H . 27332 1 597 . 1 . 1 124 124 MET C C 13 177.869 0.039 . 1 . . . . . 124 MET C . 27332 1 598 . 1 . 1 124 124 MET CA C 13 60.392 0.012 . 1 . . . . . 124 MET CA . 27332 1 599 . 1 . 1 124 124 MET CB C 13 33.602 0.054 . 1 . . . . . 124 MET CB . 27332 1 600 . 1 . 1 124 124 MET N N 15 121.741 0.008 . 1 . . . . . 124 MET N . 27332 1 601 . 1 . 1 125 125 ILE H H 1 8.294 0.004 . 1 . . . . . 125 ILE H . 27332 1 602 . 1 . 1 125 125 ILE C C 13 177.965 0.000 . 1 . . . . . 125 ILE C . 27332 1 603 . 1 . 1 125 125 ILE CA C 13 63.044 0.064 . 1 . . . . . 125 ILE CA . 27332 1 604 . 1 . 1 125 125 ILE CB C 13 35.766 0.017 . 1 . . . . . 125 ILE CB . 27332 1 605 . 1 . 1 125 125 ILE N N 15 116.151 0.010 . 1 . . . . . 125 ILE N . 27332 1 606 . 1 . 1 126 126 ARG H H 1 7.823 0.005 . 1 . . . . . 126 ARG H . 27332 1 607 . 1 . 1 126 126 ARG C C 13 179.129 0.026 . 1 . . . . . 126 ARG C . 27332 1 608 . 1 . 1 126 126 ARG CA C 13 59.677 0.003 . 1 . . . . . 126 ARG CA . 27332 1 609 . 1 . 1 126 126 ARG CB C 13 30.250 0.028 . 1 . . . . . 126 ARG CB . 27332 1 610 . 1 . 1 126 126 ARG N N 15 120.212 0.004 . 1 . . . . . 126 ARG N . 27332 1 611 . 1 . 1 127 127 GLU H H 1 8.221 0.001 . 1 . . . . . 127 GLU H . 27332 1 612 . 1 . 1 127 127 GLU C C 13 177.063 0.083 . 1 . . . . . 127 GLU C . 27332 1 613 . 1 . 1 127 127 GLU CA C 13 59.077 0.014 . 1 . . . . . 127 GLU CA . 27332 1 614 . 1 . 1 127 127 GLU CB C 13 31.220 0.005 . 1 . . . . . 127 GLU CB . 27332 1 615 . 1 . 1 127 127 GLU N N 15 116.535 0.028 . 1 . . . . . 127 GLU N . 27332 1 616 . 1 . 1 128 128 ALA H H 1 8.054 0.008 . 1 . . . . . 128 ALA H . 27332 1 617 . 1 . 1 128 128 ALA C C 13 177.242 0.000 . 1 . . . . . 128 ALA C . 27332 1 618 . 1 . 1 128 128 ALA CA C 13 53.345 0.000 . 1 . . . . . 128 ALA CA . 27332 1 619 . 1 . 1 128 128 ALA CB C 13 19.332 0.023 . 1 . . . . . 128 ALA CB . 27332 1 620 . 1 . 1 128 128 ALA N N 15 119.504 0.000 . 1 . . . . . 128 ALA N . 27332 1 621 . 1 . 1 129 129 ASP H H 1 8.302 0.003 . 1 . . . . . 129 ASP H . 27332 1 622 . 1 . 1 129 129 ASP C C 13 176.436 0.000 . 1 . . . . . 129 ASP C . 27332 1 623 . 1 . 1 129 129 ASP CA C 13 53.031 0.038 . 1 . . . . . 129 ASP CA . 27332 1 624 . 1 . 1 129 129 ASP CB C 13 39.488 0.047 . 1 . . . . . 129 ASP CB . 27332 1 625 . 1 . 1 129 129 ASP N N 15 118.771 0.001 . 1 . . . . . 129 ASP N . 27332 1 626 . 1 . 1 130 130 ILE H H 1 7.876 0.002 . 1 . . . . . 130 ILE H . 27332 1 627 . 1 . 1 130 130 ILE CA C 13 62.813 0.000 . 1 . . . . . 130 ILE CA . 27332 1 628 . 1 . 1 130 130 ILE N N 15 121.711 0.009 . 1 . . . . . 130 ILE N . 27332 1 629 . 1 . 1 131 131 ASP C C 13 177.622 0.000 . 1 . . . . . 131 ASP C . 27332 1 630 . 1 . 1 132 132 GLY H H 1 8.128 0.005 . 1 . . . . . 132 GLY H . 27332 1 631 . 1 . 1 132 132 GLY C C 13 174.740 0.000 . 1 . . . . . 132 GLY C . 27332 1 632 . 1 . 1 132 132 GLY CA C 13 46.808 0.030 . 1 . . . . . 132 GLY CA . 27332 1 633 . 1 . 1 132 132 GLY N N 15 108.318 0.005 . 1 . . . . . 132 GLY N . 27332 1 634 . 1 . 1 133 133 ASP H H 1 8.388 0.003 . 1 . . . . . 133 ASP H . 27332 1 635 . 1 . 1 133 133 ASP C C 13 177.324 0.000 . 1 . . . . . 133 ASP C . 27332 1 636 . 1 . 1 133 133 ASP CA C 13 53.612 0.000 . 1 . . . . . 133 ASP CA . 27332 1 637 . 1 . 1 133 133 ASP CB C 13 41.515 0.000 . 1 . . . . . 133 ASP CB . 27332 1 638 . 1 . 1 133 133 ASP N N 15 119.502 0.006 . 1 . . . . . 133 ASP N . 27332 1 639 . 1 . 1 134 134 GLY C C 13 174.172 0.010 . 1 . . . . . 134 GLY C . 27332 1 640 . 1 . 1 134 134 GLY CA C 13 46.089 0.031 . 1 . . . . . 134 GLY CA . 27332 1 641 . 1 . 1 135 135 GLN H H 1 8.243 0.006 . 1 . . . . . 135 GLN H . 27332 1 642 . 1 . 1 135 135 GLN CA C 13 54.774 0.000 . 1 . . . . . 135 GLN CA . 27332 1 643 . 1 . 1 135 135 GLN CB C 13 30.476 0.000 . 1 . . . . . 135 GLN CB . 27332 1 644 . 1 . 1 135 135 GLN N N 15 120.358 0.009 . 1 . . . . . 135 GLN N . 27332 1 645 . 1 . 1 136 136 VAL C C 13 175.082 0.031 . 1 . . . . . 136 VAL C . 27332 1 646 . 1 . 1 136 136 VAL CA C 13 61.768 0.037 . 1 . . . . . 136 VAL CA . 27332 1 647 . 1 . 1 136 136 VAL CB C 13 33.303 0.091 . 1 . . . . . 136 VAL CB . 27332 1 648 . 1 . 1 137 137 ASN H H 1 9.110 0.002 . 1 . . . . . 137 ASN H . 27332 1 649 . 1 . 1 137 137 ASN C C 13 175.950 0.031 . 1 . . . . . 137 ASN C . 27332 1 650 . 1 . 1 137 137 ASN CA C 13 51.928 0.017 . 1 . . . . . 137 ASN CA . 27332 1 651 . 1 . 1 137 137 ASN CB C 13 37.147 0.069 . 1 . . . . . 137 ASN CB . 27332 1 652 . 1 . 1 137 137 ASN N N 15 127.189 0.010 . 1 . . . . . 137 ASN N . 27332 1 653 . 1 . 1 138 138 TYR H H 1 7.313 0.006 . 1 . . . . . 138 TYR H . 27332 1 654 . 1 . 1 138 138 TYR C C 13 176.192 0.000 . 1 . . . . . 138 TYR C . 27332 1 655 . 1 . 1 138 138 TYR CA C 13 59.173 0.000 . 1 . . . . . 138 TYR CA . 27332 1 656 . 1 . 1 138 138 TYR CB C 13 39.973 0.000 . 1 . . . . . 138 TYR CB . 27332 1 657 . 1 . 1 138 138 TYR N N 15 122.704 0.005 . 1 . . . . . 138 TYR N . 27332 1 658 . 1 . 1 139 139 GLU H H 1 8.106 0.001 . 1 . . . . . 139 GLU H . 27332 1 659 . 1 . 1 139 139 GLU C C 13 179.257 0.093 . 1 . . . . . 139 GLU C . 27332 1 660 . 1 . 1 139 139 GLU CA C 13 60.246 0.015 . 1 . . . . . 139 GLU CA . 27332 1 661 . 1 . 1 139 139 GLU CB C 13 28.165 0.016 . 1 . . . . . 139 GLU CB . 27332 1 662 . 1 . 1 139 139 GLU N N 15 125.787 0.014 . 1 . . . . . 139 GLU N . 27332 1 663 . 1 . 1 140 140 GLU H H 1 7.342 0.010 . 1 . . . . . 140 GLU H . 27332 1 664 . 1 . 1 140 140 GLU CA C 13 58.753 0.000 . 1 . . . . . 140 GLU CA . 27332 1 665 . 1 . 1 140 140 GLU CB C 13 29.353 0.000 . 1 . . . . . 140 GLU CB . 27332 1 666 . 1 . 1 140 140 GLU N N 15 118.308 0.012 . 1 . . . . . 140 GLU N . 27332 1 667 . 1 . 1 141 141 PHE C C 13 177.448 0.000 . 1 . . . . . 141 PHE C . 27332 1 668 . 1 . 1 141 141 PHE CA C 13 60.380 0.000 . 1 . . . . . 141 PHE CA . 27332 1 669 . 1 . 1 141 141 PHE CB C 13 39.582 0.016 . 1 . . . . . 141 PHE CB . 27332 1 670 . 1 . 1 142 142 VAL H H 1 8.520 0.004 . 1 . . . . . 142 VAL H . 27332 1 671 . 1 . 1 142 142 VAL C C 13 178.461 0.041 . 1 . . . . . 142 VAL C . 27332 1 672 . 1 . 1 142 142 VAL CA C 13 67.323 0.005 . 1 . . . . . 142 VAL CA . 27332 1 673 . 1 . 1 142 142 VAL CB C 13 31.438 0.064 . 1 . . . . . 142 VAL CB . 27332 1 674 . 1 . 1 142 142 VAL N N 15 118.529 0.026 . 1 . . . . . 142 VAL N . 27332 1 675 . 1 . 1 143 143 GLN H H 1 7.500 0.005 . 1 . . . . . 143 GLN H . 27332 1 676 . 1 . 1 143 143 GLN C C 13 177.752 0.026 . 1 . . . . . 143 GLN C . 27332 1 677 . 1 . 1 143 143 GLN CA C 13 59.018 0.018 . 1 . . . . . 143 GLN CA . 27332 1 678 . 1 . 1 143 143 GLN CB C 13 28.206 0.027 . 1 . . . . . 143 GLN CB . 27332 1 679 . 1 . 1 143 143 GLN N N 15 118.866 0.010 . 1 . . . . . 143 GLN N . 27332 1 680 . 1 . 1 144 144 MET H H 1 7.584 0.002 . 1 . . . . . 144 MET H . 27332 1 681 . 1 . 1 144 144 MET C C 13 178.579 0.010 . 1 . . . . . 144 MET C . 27332 1 682 . 1 . 1 144 144 MET CA C 13 58.646 0.014 . 1 . . . . . 144 MET CA . 27332 1 683 . 1 . 1 144 144 MET CB C 13 31.866 0.000 . 1 . . . . . 144 MET CB . 27332 1 684 . 1 . 1 144 144 MET N N 15 118.445 0.016 . 1 . . . . . 144 MET N . 27332 1 685 . 1 . 1 145 145 MET H H 1 7.979 0.004 . 1 . . . . . 145 MET H . 27332 1 686 . 1 . 1 145 145 MET C C 13 176.260 0.010 . 1 . . . . . 145 MET C . 27332 1 687 . 1 . 1 145 145 MET CA C 13 58.193 0.036 . 1 . . . . . 145 MET CA . 27332 1 688 . 1 . 1 145 145 MET CB C 13 33.767 0.063 . 1 . . . . . 145 MET CB . 27332 1 689 . 1 . 1 145 145 MET N N 15 114.895 0.006 . 1 . . . . . 145 MET N . 27332 1 690 . 1 . 1 146 146 THR H H 1 7.473 0.003 . 1 . . . . . 146 THR H . 27332 1 691 . 1 . 1 146 146 THR C C 13 174.234 0.031 . 1 . . . . . 146 THR C . 27332 1 692 . 1 . 1 146 146 THR CA C 13 61.953 0.052 . 1 . . . . . 146 THR CA . 27332 1 693 . 1 . 1 146 146 THR CB C 13 70.059 0.038 . 1 . . . . . 146 THR CB . 27332 1 694 . 1 . 1 146 146 THR N N 15 108.432 0.008 . 1 . . . . . 146 THR N . 27332 1 695 . 1 . 1 147 147 ALA H H 1 7.421 0.004 . 1 . . . . . 147 ALA H . 27332 1 696 . 1 . 1 147 147 ALA C C 13 176.952 0.000 . 1 . . . . . 147 ALA C . 27332 1 697 . 1 . 1 147 147 ALA CA C 13 53.259 0.055 . 1 . . . . . 147 ALA CA . 27332 1 698 . 1 . 1 147 147 ALA CB C 13 19.246 0.034 . 1 . . . . . 147 ALA CB . 27332 1 699 . 1 . 1 147 147 ALA N N 15 126.694 0.006 . 1 . . . . . 147 ALA N . 27332 1 700 . 1 . 1 148 148 LYS H H 1 8.081 0.001 . 1 . . . . . 148 LYS H . 27332 1 701 . 1 . 1 148 148 LYS C C 13 181.603 0.000 . 1 . . . . . 148 LYS C . 27332 1 702 . 1 . 1 148 148 LYS CA C 13 57.740 0.000 . 1 . . . . . 148 LYS CA . 27332 1 703 . 1 . 1 148 148 LYS CB C 13 33.769 0.000 . 1 . . . . . 148 LYS CB . 27332 1 704 . 1 . 1 148 148 LYS N N 15 126.418 0.005 . 1 . . . . . 148 LYS N . 27332 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 27332 _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' . . . 27332 2 2 '3D HNCACB' . . . 27332 2 3 '3D HN(CO)CACB' . . . 27332 2 4 '3D HNCO' . . . 27332 2 5 '3D HN(CA)CO' . . . 27332 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 . . 27332 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 13 177.655 0.041 . 1 . . . . . -3 PRO C . 27332 2 2 . 2 . 2 2 2 PRO CA C 13 63.602 0.000 . 1 . . . . . -3 PRO CA . 27332 2 3 . 2 . 2 2 2 PRO CB C 13 32.311 0.000 . 1 . . . . . -3 PRO CB . 27332 2 4 . 2 . 2 3 3 GLY H H 1 8.688 0.007 . 1 . . . . . -2 GLY H . 27332 2 5 . 2 . 2 3 3 GLY C C 13 174.503 0.031 . 1 . . . . . -2 GLY C . 27332 2 6 . 2 . 2 3 3 GLY CA C 13 45.507 0.037 . 1 . . . . . -2 GLY CA . 27332 2 7 . 2 . 2 3 3 GLY N N 15 109.712 0.011 . 1 . . . . . -2 GLY N . 27332 2 8 . 2 . 2 4 4 SER H H 1 8.197 0.002 . 1 . . . . . -1 SER H . 27332 2 9 . 2 . 2 4 4 SER C C 13 175.278 0.000 . 1 . . . . . -1 SER C . 27332 2 10 . 2 . 2 4 4 SER CA C 13 59.229 0.038 . 1 . . . . . -1 SER CA . 27332 2 11 . 2 . 2 4 4 SER CB C 13 63.679 0.013 . 1 . . . . . -1 SER CB . 27332 2 12 . 2 . 2 4 4 SER N N 15 116.039 0.006 . 1 . . . . . -1 SER N . 27332 2 13 . 2 . 2 5 5 LYS H H 1 8.448 0.002 . 1 . . . . . 1723 LYS H . 27332 2 14 . 2 . 2 5 5 LYS C C 13 177.338 0.052 . 1 . . . . . 1723 LYS C . 27332 2 15 . 2 . 2 5 5 LYS CA C 13 57.696 0.042 . 1 . . . . . 1723 LYS CA . 27332 2 16 . 2 . 2 5 5 LYS CB C 13 32.738 0.026 . 1 . . . . . 1723 LYS CB . 27332 2 17 . 2 . 2 5 5 LYS N N 15 124.194 0.007 . 1 . . . . . 1723 LYS N . 27332 2 18 . 2 . 2 6 6 ARG H H 1 8.242 0.002 . 1 . . . . . 1724 ARG H . 27332 2 19 . 2 . 2 6 6 ARG C C 13 177.469 0.000 . 1 . . . . . 1724 ARG C . 27332 2 20 . 2 . 2 6 6 ARG CA C 13 57.241 0.022 . 1 . . . . . 1724 ARG CA . 27332 2 21 . 2 . 2 6 6 ARG CB C 13 30.454 0.027 . 1 . . . . . 1724 ARG CB . 27332 2 22 . 2 . 2 6 6 ARG N N 15 121.119 0.007 . 1 . . . . . 1724 ARG N . 27332 2 23 . 2 . 2 7 7 LYS H H 1 8.398 0.001 . 1 . . . . . 1725 LYS H . 27332 2 24 . 2 . 2 7 7 LYS C C 13 178.182 0.031 . 1 . . . . . 1725 LYS C . 27332 2 25 . 2 . 2 7 7 LYS CA C 13 57.735 0.042 . 1 . . . . . 1725 LYS CA . 27332 2 26 . 2 . 2 7 7 LYS CB C 13 32.488 0.051 . 1 . . . . . 1725 LYS CB . 27332 2 27 . 2 . 2 7 7 LYS N N 15 121.261 0.099 . 1 . . . . . 1725 LYS N . 27332 2 28 . 2 . 2 8 8 HIS H H 1 8.512 0.002 . 1 . . . . . 1726 HIS H . 27332 2 29 . 2 . 2 8 8 HIS C C 13 177.559 0.026 . 1 . . . . . 1726 HIS C . 27332 2 30 . 2 . 2 8 8 HIS CA C 13 59.132 0.014 . 1 . . . . . 1726 HIS CA . 27332 2 31 . 2 . 2 8 8 HIS CB C 13 30.255 0.051 . 1 . . . . . 1726 HIS CB . 27332 2 32 . 2 . 2 8 8 HIS N N 15 120.884 0.006 . 1 . . . . . 1726 HIS N . 27332 2 33 . 2 . 2 9 9 GLU H H 1 8.967 0.003 . 1 . . . . . 1727 GLU H . 27332 2 34 . 2 . 2 9 9 GLU C C 13 178.203 0.031 . 1 . . . . . 1727 GLU C . 27332 2 35 . 2 . 2 9 9 GLU CA C 13 60.800 0.056 . 1 . . . . . 1727 GLU CA . 27332 2 36 . 2 . 2 9 9 GLU CB C 13 29.208 0.005 . 1 . . . . . 1727 GLU CB . 27332 2 37 . 2 . 2 9 9 GLU N N 15 118.789 0.009 . 1 . . . . . 1727 GLU N . 27332 2 38 . 2 . 2 10 10 GLU H H 1 7.893 0.004 . 1 . . . . . 1728 GLU H . 27332 2 39 . 2 . 2 10 10 GLU C C 13 177.448 0.000 . 1 . . . . . 1728 GLU C . 27332 2 40 . 2 . 2 10 10 GLU CA C 13 60.653 0.000 . 1 . . . . . 1728 GLU CA . 27332 2 41 . 2 . 2 10 10 GLU CB C 13 29.739 0.013 . 1 . . . . . 1728 GLU CB . 27332 2 42 . 2 . 2 10 10 GLU N N 15 118.458 0.006 . 1 . . . . . 1728 GLU N . 27332 2 43 . 2 . 2 11 11 VAL H H 1 7.687 0.002 . 1 . . . . . 1729 VAL H . 27332 2 44 . 2 . 2 11 11 VAL C C 13 179.154 0.031 . 1 . . . . . 1729 VAL C . 27332 2 45 . 2 . 2 11 11 VAL CA C 13 66.614 0.029 . 1 . . . . . 1729 VAL CA . 27332 2 46 . 2 . 2 11 11 VAL CB C 13 32.124 0.031 . 1 . . . . . 1729 VAL CB . 27332 2 47 . 2 . 2 11 11 VAL N N 15 117.990 0.002 . 1 . . . . . 1729 VAL N . 27332 2 48 . 2 . 2 12 12 CYS H H 1 7.948 0.001 . 1 . . . . . 1730 CYS H . 27332 2 49 . 2 . 2 12 12 CYS C C 13 175.988 0.035 . 1 . . . . . 1730 CYS C . 27332 2 50 . 2 . 2 12 12 CYS CA C 13 64.838 0.055 . 1 . . . . . 1730 CYS CA . 27332 2 51 . 2 . 2 12 12 CYS CB C 13 26.975 0.046 . 1 . . . . . 1730 CYS CB . 27332 2 52 . 2 . 2 12 12 CYS N N 15 118.022 0.000 . 1 . . . . . 1730 CYS N . 27332 2 53 . 2 . 2 13 13 ALA H H 1 8.407 0.002 . 1 . . . . . 1731 ALA H . 27332 2 54 . 2 . 2 13 13 ALA C C 13 178.302 0.043 . 1 . . . . . 1731 ALA C . 27332 2 55 . 2 . 2 13 13 ALA CA C 13 56.344 0.095 . 1 . . . . . 1731 ALA CA . 27332 2 56 . 2 . 2 13 13 ALA CB C 13 17.707 0.042 . 1 . . . . . 1731 ALA CB . 27332 2 57 . 2 . 2 13 13 ALA N N 15 121.391 0.000 . 1 . . . . . 1731 ALA N . 27332 2 58 . 2 . 2 14 14 ILE H H 1 7.981 0.001 . 1 . . . . . 1732 ILE H . 27332 2 59 . 2 . 2 14 14 ILE C C 13 178.317 0.000 . 1 . . . . . 1732 ILE C . 27332 2 60 . 2 . 2 14 14 ILE CA C 13 65.045 0.019 . 1 . . . . . 1732 ILE CA . 27332 2 61 . 2 . 2 14 14 ILE CB C 13 38.200 0.029 . 1 . . . . . 1732 ILE CB . 27332 2 62 . 2 . 2 14 14 ILE N N 15 117.512 0.003 . 1 . . . . . 1732 ILE N . 27332 2 63 . 2 . 2 15 15 LYS H H 1 7.687 0.001 . 1 . . . . . 1733 LYS H . 27332 2 64 . 2 . 2 15 15 LYS C C 13 180.105 0.031 . 1 . . . . . 1733 LYS C . 27332 2 65 . 2 . 2 15 15 LYS CA C 13 60.413 0.070 . 1 . . . . . 1733 LYS CA . 27332 2 66 . 2 . 2 15 15 LYS CB C 13 32.496 0.032 . 1 . . . . . 1733 LYS CB . 27332 2 67 . 2 . 2 15 15 LYS N N 15 118.208 0.012 . 1 . . . . . 1733 LYS N . 27332 2 68 . 2 . 2 16 16 ILE H H 1 7.390 0.003 . 1 . . . . . 1734 ILE H . 27332 2 69 . 2 . 2 16 16 ILE C C 13 177.318 0.042 . 1 . . . . . 1734 ILE C . 27332 2 70 . 2 . 2 16 16 ILE CA C 13 66.096 0.026 . 1 . . . . . 1734 ILE CA . 27332 2 71 . 2 . 2 16 16 ILE CB C 13 39.024 0.040 . 1 . . . . . 1734 ILE CB . 27332 2 72 . 2 . 2 16 16 ILE N N 15 118.948 0.008 . 1 . . . . . 1734 ILE N . 27332 2 73 . 2 . 2 17 17 GLN H H 1 9.026 0.004 . 1 . . . . . 1735 GLN H . 27332 2 74 . 2 . 2 17 17 GLN C C 13 179.137 0.026 . 1 . . . . . 1735 GLN C . 27332 2 75 . 2 . 2 17 17 GLN CA C 13 60.267 0.077 . 1 . . . . . 1735 GLN CA . 27332 2 76 . 2 . 2 17 17 GLN CB C 13 26.924 0.042 . 1 . . . . . 1735 GLN CB . 27332 2 77 . 2 . 2 17 17 GLN N N 15 121.078 0.000 . 1 . . . . . 1735 GLN N . 27332 2 78 . 2 . 2 18 18 ARG H H 1 9.068 0.002 . 1 . . . . . 1736 ARG H . 27332 2 79 . 2 . 2 18 18 ARG C C 13 180.280 0.021 . 1 . . . . . 1736 ARG C . 27332 2 80 . 2 . 2 18 18 ARG CA C 13 60.067 0.031 . 1 . . . . . 1736 ARG CA . 27332 2 81 . 2 . 2 18 18 ARG CB C 13 30.339 0.021 . 1 . . . . . 1736 ARG CB . 27332 2 82 . 2 . 2 18 18 ARG N N 15 117.064 0.010 . 1 . . . . . 1736 ARG N . 27332 2 83 . 2 . 2 19 19 ALA H H 1 7.815 0.001 . 1 . . . . . 1737 ALA H . 27332 2 84 . 2 . 2 19 19 ALA C C 13 180.653 0.034 . 1 . . . . . 1737 ALA C . 27332 2 85 . 2 . 2 19 19 ALA CA C 13 55.302 0.031 . 1 . . . . . 1737 ALA CA . 27332 2 86 . 2 . 2 19 19 ALA CB C 13 18.526 0.017 . 1 . . . . . 1737 ALA CB . 27332 2 87 . 2 . 2 19 19 ALA N N 15 122.485 0.007 . 1 . . . . . 1737 ALA N . 27332 2 88 . 2 . 2 20 20 TYR H H 1 9.507 0.002 . 1 . . . . . 1738 TYR H . 27332 2 89 . 2 . 2 20 20 TYR C C 13 177.848 0.019 . 1 . . . . . 1738 TYR C . 27332 2 90 . 2 . 2 20 20 TYR CA C 13 63.737 0.006 . 1 . . . . . 1738 TYR CA . 27332 2 91 . 2 . 2 20 20 TYR CB C 13 38.451 0.017 . 1 . . . . . 1738 TYR CB . 27332 2 92 . 2 . 2 20 20 TYR N N 15 122.834 0.004 . 1 . . . . . 1738 TYR N . 27332 2 93 . 2 . 2 21 21 ARG H H 1 8.697 0.003 . 1 . . . . . 1739 ARG H . 27332 2 94 . 2 . 2 21 21 ARG C C 13 179.609 0.010 . 1 . . . . . 1739 ARG C . 27332 2 95 . 2 . 2 21 21 ARG CA C 13 61.396 0.083 . 1 . . . . . 1739 ARG CA . 27332 2 96 . 2 . 2 21 21 ARG CB C 13 29.755 0.000 . 1 . . . . . 1739 ARG CB . 27332 2 97 . 2 . 2 21 21 ARG N N 15 118.703 0.010 . 1 . . . . . 1739 ARG N . 27332 2 98 . 2 . 2 22 22 ARG H H 1 7.874 0.003 . 1 . . . . . 1740 ARG H . 27332 2 99 . 2 . 2 22 22 ARG C C 13 178.379 0.017 . 1 . . . . . 1740 ARG C . 27332 2 100 . 2 . 2 22 22 ARG CA C 13 60.066 0.014 . 1 . . . . . 1740 ARG CA . 27332 2 101 . 2 . 2 22 22 ARG CB C 13 29.946 0.014 . 1 . . . . . 1740 ARG CB . 27332 2 102 . 2 . 2 22 22 ARG N N 15 119.960 0.021 . 1 . . . . . 1740 ARG N . 27332 2 103 . 2 . 2 23 23 HIS H H 1 7.772 0.003 . 1 . . . . . 1741 HIS H . 27332 2 104 . 2 . 2 23 23 HIS C C 13 176.746 0.029 . 1 . . . . . 1741 HIS C . 27332 2 105 . 2 . 2 23 23 HIS CA C 13 58.831 0.017 . 1 . . . . . 1741 HIS CA . 27332 2 106 . 2 . 2 23 23 HIS CB C 13 27.814 0.070 . 1 . . . . . 1741 HIS CB . 27332 2 107 . 2 . 2 23 23 HIS N N 15 120.431 0.000 . 1 . . . . . 1741 HIS N . 27332 2 108 . 2 . 2 24 24 LEU H H 1 8.309 0.002 . 1 . . . . . 1742 LEU H . 27332 2 109 . 2 . 2 24 24 LEU C C 13 179.929 0.021 . 1 . . . . . 1742 LEU C . 27332 2 110 . 2 . 2 24 24 LEU CA C 13 57.618 0.056 . 1 . . . . . 1742 LEU CA . 27332 2 111 . 2 . 2 24 24 LEU CB C 13 41.728 0.069 . 1 . . . . . 1742 LEU CB . 27332 2 112 . 2 . 2 24 24 LEU N N 15 119.508 0.010 . 1 . . . . . 1742 LEU N . 27332 2 113 . 2 . 2 25 25 LEU H H 1 7.668 0.002 . 1 . . . . . 1743 LEU H . 27332 2 114 . 2 . 2 25 25 LEU C C 13 179.550 0.026 . 1 . . . . . 1743 LEU C . 27332 2 115 . 2 . 2 25 25 LEU CA C 13 57.498 0.000 . 1 . . . . . 1743 LEU CA . 27332 2 116 . 2 . 2 25 25 LEU CB C 13 41.890 0.039 . 1 . . . . . 1743 LEU CB . 27332 2 117 . 2 . 2 25 25 LEU N N 15 120.120 0.006 . 1 . . . . . 1743 LEU N . 27332 2 118 . 2 . 2 26 26 GLN H H 1 7.971 0.002 . 1 . . . . . 1744 GLN H . 27332 2 119 . 2 . 2 26 26 GLN C C 13 178.337 0.017 . 1 . . . . . 1744 GLN C . 27332 2 120 . 2 . 2 26 26 GLN CA C 13 58.119 0.051 . 1 . . . . . 1744 GLN CA . 27332 2 121 . 2 . 2 26 26 GLN CB C 13 28.466 0.033 . 1 . . . . . 1744 GLN CB . 27332 2 122 . 2 . 2 26 26 GLN N N 15 118.460 0.004 . 1 . . . . . 1744 GLN N . 27332 2 123 . 2 . 2 27 27 ARG H H 1 7.879 0.002 . 1 . . . . . 1745 ARG H . 27332 2 124 . 2 . 2 27 27 ARG C C 13 177.517 0.010 . 1 . . . . . 1745 ARG C . 27332 2 125 . 2 . 2 27 27 ARG CA C 13 58.053 0.000 . 1 . . . . . 1745 ARG CA . 27332 2 126 . 2 . 2 27 27 ARG CB C 13 30.174 0.038 . 1 . . . . . 1745 ARG CB . 27332 2 127 . 2 . 2 27 27 ARG N N 15 118.460 0.003 . 1 . . . . . 1745 ARG N . 27332 2 128 . 2 . 2 28 28 SER H H 1 7.804 0.002 . 1 . . . . . 1746 SER H . 27332 2 129 . 2 . 2 28 28 SER C C 13 174.751 0.031 . 1 . . . . . 1746 SER C . 27332 2 130 . 2 . 2 28 28 SER CA C 13 59.568 0.086 . 1 . . . . . 1746 SER CA . 27332 2 131 . 2 . 2 28 28 SER CB C 13 63.756 0.031 . 1 . . . . . 1746 SER CB . 27332 2 132 . 2 . 2 28 28 SER N N 15 114.528 0.008 . 1 . . . . . 1746 SER N . 27332 2 133 . 2 . 2 29 29 MET H H 1 7.784 0.002 . 1 . . . . . 1747 MET H . 27332 2 134 . 2 . 2 29 29 MET C C 13 176.063 0.000 . 1 . . . . . 1747 MET C . 27332 2 135 . 2 . 2 29 29 MET CA C 13 55.971 0.012 . 1 . . . . . 1747 MET CA . 27332 2 136 . 2 . 2 29 29 MET CB C 13 32.957 0.025 . 1 . . . . . 1747 MET CB . 27332 2 137 . 2 . 2 29 29 MET N N 15 120.852 0.006 . 1 . . . . . 1747 MET N . 27332 2 138 . 2 . 2 30 30 LYS H H 1 7.933 0.002 . 1 . . . . . 1748 LYS H . 27332 2 139 . 2 . 2 30 30 LYS C C 13 175.533 0.010 . 1 . . . . . 1748 LYS C . 27332 2 140 . 2 . 2 30 30 LYS CA C 13 56.393 0.031 . 1 . . . . . 1748 LYS CA . 27332 2 141 . 2 . 2 30 30 LYS CB C 13 32.936 0.031 . 1 . . . . . 1748 LYS CB . 27332 2 142 . 2 . 2 30 30 LYS N N 15 121.902 0.008 . 1 . . . . . 1748 LYS N . 27332 2 143 . 2 . 2 31 31 GLN H H 1 7.958 0.003 . 1 . . . . . 1749 GLN H . 27332 2 144 . 2 . 2 31 31 GLN C C 13 180.673 0.000 . 1 . . . . . 1749 GLN C . 27332 2 145 . 2 . 2 31 31 GLN CA C 13 57.479 0.000 . 1 . . . . . 1749 GLN CA . 27332 2 146 . 2 . 2 31 31 GLN CB C 13 30.485 0.000 . 1 . . . . . 1749 GLN CB . 27332 2 147 . 2 . 2 31 31 GLN N N 15 126.859 0.001 . 1 . . . . . 1749 GLN N . 27332 2 stop_ save_