data_27190 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27190 _Entry.Title ; Backbone chemical shift assignments of apo calmodulin bound to human NaV1.1 IQ motif peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-07-21 _Entry.Accession_date 2017-07-21 _Entry.Last_release_date 2017-07-21 _Entry.Original_release_date 2017-07-21 _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 Adina Kilpatrick . M. . . 27190 2 Zesen Lin . . . . 27190 3 Madeline Shea . A. . . 27190 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 27190 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 503 27190 '15N chemical shifts' 164 27190 '1H chemical shifts' 164 27190 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2018-09-28 2017-07-21 update BMRB 'update entry citation' 27190 1 . . 2018-05-08 2017-07-21 original author 'original release' 27190 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1CFC 'Apo calmodulin' 27190 PDB 2KXW 'Structure of the C-domain Fragment of apo Calmodulin Bound to the IQ motif of Nav1.2' 27190 PDB 2L53 'Solution NMR Structure of apo-calmodulin in complex with the IQ motif of Human Cardiac Sodium Channel NaV1.5' 27190 PDB 2M5E 'Structure of the C-domain of Calcium-saturated Calmodulin bound to the IQ motif of NaV1.2' 27190 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27190 _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. . . 27190 1 2 Adina Kilpatrick A. M. . . 27190 1 3 Zesen Lin Z. . . . 27190 1 4 Ryan Mahling R. . . . 27190 1 5 Madeline Shea M. A. . . 27190 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27190 _Assembly.ID 1 _Assembly.Name 'Apo CaM NaV1.1 IQ motif' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 . . . 27190 1 2 'NaV1.1 IQ motif peptide' 2 $Human_voltage-gated_sodium_channel_NaV1.1_IQ_motif_peptide B . yes native no no . . . 27190 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 . . 'solution NMR' . . 'Apo calmodulin' 27190 1 yes PDB 2KXW . . 'solution NMR' . . 'Structure of the C-domain Fragment of apo Calmodulin Bound to the IQ motif of Nav1.2' 27190 1 yes PDB 2L53 . . 'solution NMR' . . 'Solution NMR Structure of apo-calmodulin in complex with the IQ motif of Human Cardiac Sodium Channel NaV1.5' 27190 1 yes PDB 2M5E . . 'solution NMR' . . 'Structure of the C-domain of Calcium-saturated Calmodulin bound to the IQ motif of NaV1.2' 27190 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Calmodulin _Entity.Sf_category entity _Entity.Sf_framecode Calmodulin _Entity.Entry_ID 27190 _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 16706 _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 . . . . . . . . . . . . . . . . 27190 1 2 yes NCBI 801 . . . . . . . . . . . . . . . . 27190 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Essential calcium-binding protein' 27190 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ALA . 27190 1 2 2 ASP . 27190 1 3 3 GLN . 27190 1 4 4 LEU . 27190 1 5 5 THR . 27190 1 6 6 GLU . 27190 1 7 7 GLU . 27190 1 8 8 GLN . 27190 1 9 9 ILE . 27190 1 10 10 ALA . 27190 1 11 11 GLU . 27190 1 12 12 PHE . 27190 1 13 13 LYS . 27190 1 14 14 GLU . 27190 1 15 15 ALA . 27190 1 16 16 PHE . 27190 1 17 17 SER . 27190 1 18 18 LEU . 27190 1 19 19 PHE . 27190 1 20 20 ASP . 27190 1 21 21 LYS . 27190 1 22 22 ASP . 27190 1 23 23 GLY . 27190 1 24 24 ASP . 27190 1 25 25 GLY . 27190 1 26 26 THR . 27190 1 27 27 ILE . 27190 1 28 28 THR . 27190 1 29 29 THR . 27190 1 30 30 LYS . 27190 1 31 31 GLU . 27190 1 32 32 LEU . 27190 1 33 33 GLY . 27190 1 34 34 THR . 27190 1 35 35 VAL . 27190 1 36 36 MET . 27190 1 37 37 ARG . 27190 1 38 38 SER . 27190 1 39 39 LEU . 27190 1 40 40 GLY . 27190 1 41 41 GLN . 27190 1 42 42 ASN . 27190 1 43 43 PRO . 27190 1 44 44 THR . 27190 1 45 45 GLU . 27190 1 46 46 ALA . 27190 1 47 47 GLU . 27190 1 48 48 LEU . 27190 1 49 49 GLN . 27190 1 50 50 ASP . 27190 1 51 51 MET . 27190 1 52 52 ILE . 27190 1 53 53 ASN . 27190 1 54 54 GLU . 27190 1 55 55 VAL . 27190 1 56 56 ASP . 27190 1 57 57 ALA . 27190 1 58 58 ASP . 27190 1 59 59 GLY . 27190 1 60 60 ASN . 27190 1 61 61 GLY . 27190 1 62 62 THR . 27190 1 63 63 ILE . 27190 1 64 64 ASP . 27190 1 65 65 PHE . 27190 1 66 66 PRO . 27190 1 67 67 GLU . 27190 1 68 68 PHE . 27190 1 69 69 LEU . 27190 1 70 70 THR . 27190 1 71 71 MET . 27190 1 72 72 MET . 27190 1 73 73 ALA . 27190 1 74 74 ARG . 27190 1 75 75 LYS . 27190 1 76 76 MET . 27190 1 77 77 LYS . 27190 1 78 78 ASP . 27190 1 79 79 THR . 27190 1 80 80 ASP . 27190 1 81 81 SER . 27190 1 82 82 GLU . 27190 1 83 83 GLU . 27190 1 84 84 GLU . 27190 1 85 85 ILE . 27190 1 86 86 ARG . 27190 1 87 87 GLU . 27190 1 88 88 ALA . 27190 1 89 89 PHE . 27190 1 90 90 ARG . 27190 1 91 91 VAL . 27190 1 92 92 PHE . 27190 1 93 93 ASP . 27190 1 94 94 LYS . 27190 1 95 95 ASP . 27190 1 96 96 GLY . 27190 1 97 97 ASN . 27190 1 98 98 GLY . 27190 1 99 99 TYR . 27190 1 100 100 ILE . 27190 1 101 101 SER . 27190 1 102 102 ALA . 27190 1 103 103 ALA . 27190 1 104 104 GLU . 27190 1 105 105 LEU . 27190 1 106 106 ARG . 27190 1 107 107 HIS . 27190 1 108 108 VAL . 27190 1 109 109 MET . 27190 1 110 110 THR . 27190 1 111 111 ASN . 27190 1 112 112 LEU . 27190 1 113 113 GLY . 27190 1 114 114 GLU . 27190 1 115 115 LYS . 27190 1 116 116 LEU . 27190 1 117 117 THR . 27190 1 118 118 ASP . 27190 1 119 119 GLU . 27190 1 120 120 GLU . 27190 1 121 121 VAL . 27190 1 122 122 ASP . 27190 1 123 123 GLU . 27190 1 124 124 MET . 27190 1 125 125 ILE . 27190 1 126 126 ARG . 27190 1 127 127 GLU . 27190 1 128 128 ALA . 27190 1 129 129 ASP . 27190 1 130 130 ILE . 27190 1 131 131 ASP . 27190 1 132 132 GLY . 27190 1 133 133 ASP . 27190 1 134 134 GLY . 27190 1 135 135 GLN . 27190 1 136 136 VAL . 27190 1 137 137 ASN . 27190 1 138 138 TYR . 27190 1 139 139 GLU . 27190 1 140 140 GLU . 27190 1 141 141 PHE . 27190 1 142 142 VAL . 27190 1 143 143 GLN . 27190 1 144 144 MET . 27190 1 145 145 MET . 27190 1 146 146 THR . 27190 1 147 147 ALA . 27190 1 148 148 LYS . 27190 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 27190 1 . ASP 2 2 27190 1 . GLN 3 3 27190 1 . LEU 4 4 27190 1 . THR 5 5 27190 1 . GLU 6 6 27190 1 . GLU 7 7 27190 1 . GLN 8 8 27190 1 . ILE 9 9 27190 1 . ALA 10 10 27190 1 . GLU 11 11 27190 1 . PHE 12 12 27190 1 . LYS 13 13 27190 1 . GLU 14 14 27190 1 . ALA 15 15 27190 1 . PHE 16 16 27190 1 . SER 17 17 27190 1 . LEU 18 18 27190 1 . PHE 19 19 27190 1 . ASP 20 20 27190 1 . LYS 21 21 27190 1 . ASP 22 22 27190 1 . GLY 23 23 27190 1 . ASP 24 24 27190 1 . GLY 25 25 27190 1 . THR 26 26 27190 1 . ILE 27 27 27190 1 . THR 28 28 27190 1 . THR 29 29 27190 1 . LYS 30 30 27190 1 . GLU 31 31 27190 1 . LEU 32 32 27190 1 . GLY 33 33 27190 1 . THR 34 34 27190 1 . VAL 35 35 27190 1 . MET 36 36 27190 1 . ARG 37 37 27190 1 . SER 38 38 27190 1 . LEU 39 39 27190 1 . GLY 40 40 27190 1 . GLN 41 41 27190 1 . ASN 42 42 27190 1 . PRO 43 43 27190 1 . THR 44 44 27190 1 . GLU 45 45 27190 1 . ALA 46 46 27190 1 . GLU 47 47 27190 1 . LEU 48 48 27190 1 . GLN 49 49 27190 1 . ASP 50 50 27190 1 . MET 51 51 27190 1 . ILE 52 52 27190 1 . ASN 53 53 27190 1 . GLU 54 54 27190 1 . VAL 55 55 27190 1 . ASP 56 56 27190 1 . ALA 57 57 27190 1 . ASP 58 58 27190 1 . GLY 59 59 27190 1 . ASN 60 60 27190 1 . GLY 61 61 27190 1 . THR 62 62 27190 1 . ILE 63 63 27190 1 . ASP 64 64 27190 1 . PHE 65 65 27190 1 . PRO 66 66 27190 1 . GLU 67 67 27190 1 . PHE 68 68 27190 1 . LEU 69 69 27190 1 . THR 70 70 27190 1 . MET 71 71 27190 1 . MET 72 72 27190 1 . ALA 73 73 27190 1 . ARG 74 74 27190 1 . LYS 75 75 27190 1 . MET 76 76 27190 1 . LYS 77 77 27190 1 . ASP 78 78 27190 1 . THR 79 79 27190 1 . ASP 80 80 27190 1 . SER 81 81 27190 1 . GLU 82 82 27190 1 . GLU 83 83 27190 1 . GLU 84 84 27190 1 . ILE 85 85 27190 1 . ARG 86 86 27190 1 . GLU 87 87 27190 1 . ALA 88 88 27190 1 . PHE 89 89 27190 1 . ARG 90 90 27190 1 . VAL 91 91 27190 1 . PHE 92 92 27190 1 . ASP 93 93 27190 1 . LYS 94 94 27190 1 . ASP 95 95 27190 1 . GLY 96 96 27190 1 . ASN 97 97 27190 1 . GLY 98 98 27190 1 . TYR 99 99 27190 1 . ILE 100 100 27190 1 . SER 101 101 27190 1 . ALA 102 102 27190 1 . ALA 103 103 27190 1 . GLU 104 104 27190 1 . LEU 105 105 27190 1 . ARG 106 106 27190 1 . HIS 107 107 27190 1 . VAL 108 108 27190 1 . MET 109 109 27190 1 . THR 110 110 27190 1 . ASN 111 111 27190 1 . LEU 112 112 27190 1 . GLY 113 113 27190 1 . GLU 114 114 27190 1 . LYS 115 115 27190 1 . LEU 116 116 27190 1 . THR 117 117 27190 1 . ASP 118 118 27190 1 . GLU 119 119 27190 1 . GLU 120 120 27190 1 . VAL 121 121 27190 1 . ASP 122 122 27190 1 . GLU 123 123 27190 1 . MET 124 124 27190 1 . ILE 125 125 27190 1 . ARG 126 126 27190 1 . GLU 127 127 27190 1 . ALA 128 128 27190 1 . ASP 129 129 27190 1 . ILE 130 130 27190 1 . ASP 131 131 27190 1 . GLY 132 132 27190 1 . ASP 133 133 27190 1 . GLY 134 134 27190 1 . GLN 135 135 27190 1 . VAL 136 136 27190 1 . ASN 137 137 27190 1 . TYR 138 138 27190 1 . GLU 139 139 27190 1 . GLU 140 140 27190 1 . PHE 141 141 27190 1 . VAL 142 142 27190 1 . GLN 143 143 27190 1 . MET 144 144 27190 1 . MET 145 145 27190 1 . THR 146 146 27190 1 . ALA 147 147 27190 1 . LYS 148 148 27190 1 stop_ save_ save_Human_voltage-gated_sodium_channel_NaV1.1_IQ_motif_peptide _Entity.Sf_category entity _Entity.Sf_framecode Human_voltage-gated_sodium_channel_NaV1.1_IQ_motif_peptide _Entity.Entry_ID 27190 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Human_voltage-gated_sodium_channel_NaV1.1_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 ; GPGSKRKQEEVSAVIIQRAY RRHLLKRTVKQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residues numbered 1911-1937' _Entity.Polymer_author_seq_details ; First four residues (GPGS) are part of a 3C protease cleavage site (numbered -4 to -1). Residue 5 of the peptide corresponds to residue 1911 in NaV1.1. ; _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 31 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3633 _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 P35498 . . . . . . . . . . . . . . . . 27190 2 2 yes NCBI 6323 . . . . . . . . . . . . . . . . 27190 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Initiation and propagation of action potentials' 27190 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 . 27190 2 2 -3 PRO . 27190 2 3 -2 GLY . 27190 2 4 -1 SER . 27190 2 5 1911 LYS . 27190 2 6 1912 ARG . 27190 2 7 1913 LYS . 27190 2 8 1914 GLN . 27190 2 9 1915 GLU . 27190 2 10 1916 GLU . 27190 2 11 1917 VAL . 27190 2 12 1918 SER . 27190 2 13 1919 ALA . 27190 2 14 1920 VAL . 27190 2 15 1921 ILE . 27190 2 16 1922 ILE . 27190 2 17 1923 GLN . 27190 2 18 1924 ARG . 27190 2 19 1925 ALA . 27190 2 20 1926 TYR . 27190 2 21 1927 ARG . 27190 2 22 1928 ARG . 27190 2 23 1929 HIS . 27190 2 24 1930 LEU . 27190 2 25 1931 LEU . 27190 2 26 1932 LYS . 27190 2 27 1933 ARG . 27190 2 28 1934 THR . 27190 2 29 1935 VAL . 27190 2 30 1936 LYS . 27190 2 31 1937 GLN . 27190 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 27190 2 . PRO 2 2 27190 2 . GLY 3 3 27190 2 . SER 4 4 27190 2 . LYS 5 5 27190 2 . ARG 6 6 27190 2 . LYS 7 7 27190 2 . GLN 8 8 27190 2 . GLU 9 9 27190 2 . GLU 10 10 27190 2 . VAL 11 11 27190 2 . SER 12 12 27190 2 . ALA 13 13 27190 2 . VAL 14 14 27190 2 . ILE 15 15 27190 2 . ILE 16 16 27190 2 . GLN 17 17 27190 2 . ARG 18 18 27190 2 . ALA 19 19 27190 2 . TYR 20 20 27190 2 . ARG 21 21 27190 2 . ARG 22 22 27190 2 . HIS 23 23 27190 2 . LEU 24 24 27190 2 . LEU 25 25 27190 2 . LYS 26 26 27190 2 . ARG 27 27 27190 2 . THR 28 28 27190 2 . VAL 29 29 27190 2 . LYS 30 30 27190 2 . GLN 31 31 27190 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 27190 _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 . . . . . . . . . . . . . 27190 1 2 2 $Human_voltage-gated_sodium_channel_NaV1.1_IQ_motif_peptide . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27190 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 27190 _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 . . . 27190 1 2 2 $Human_voltage-gated_sodium_channel_NaV1.1_IQ_motif_peptide . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . pBG101 . . . 27190 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27190 _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 . . 0.85 . . mM . . . . 27190 1 2 'Human voltage-gated sodium channel NaV1.1 IQ motif peptide' '[U-99% 13C; U-99% 15N]' . . 2 $Human_voltage-gated_sodium_channel_NaV1.1_IQ_motif_peptide . . 0.85 . . mM . . . . 27190 1 3 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 27190 1 4 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27190 1 5 imidazole 'natural abundance' . . . . . . 10 . . mM . . . . 27190 1 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . '% w/v' . . . . 27190 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 27190 _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 27190 1 pH 6.5 . pH 27190 1 pressure 1 . atm 27190 1 temperature 298 . K 27190 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 27190 _Software.ID 1 _Software.Type . _Software.Name VNMRJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 27190 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27190 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27190 _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' . . 27190 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27190 2 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 27190 _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 . . 27190 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27190 3 . 'data analysis' 27190 3 . 'peak picking' 27190 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 27190 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 27190 _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 Varian INOVA . 600 . . . 27190 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 27190 _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 . . . . . . . . . . . . . . . . 27190 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27190 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27190 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27190 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27190 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27190 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 27190 _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 . . . . . 27190 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . 27190 1 N 15 water protons . . . . ppm 4.773 na indirect 0.101329118 . . . . . 27190 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 27190 _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' . . . 27190 1 2 '3D HNCACB' . . . 27190 1 3 '3D CBCA(CO)NH' . . . 27190 1 4 '3D HNCA' . . . 27190 1 5 '3D HNCO' . . . 27190 1 6 '3D HN(CA)CO' . . . 27190 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 . . 27190 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 13 175.521 0.000 . 1 . . . . . 2 ASP C . 27190 1 2 . 1 . 1 2 2 ASP CA C 13 54.876 0.058 . 1 . . . . . 2 ASP CA . 27190 1 3 . 1 . 1 2 2 ASP CB C 13 41.385 0.046 . 1 . . . . . 2 ASP CB . 27190 1 4 . 1 . 1 3 3 GLN H H 1 8.197 0.001 . 1 . . . . . 3 GLN H . 27190 1 5 . 1 . 1 3 3 GLN C C 13 175.654 0.025 . 1 . . . . . 3 GLN C . 27190 1 6 . 1 . 1 3 3 GLN CA C 13 55.432 0.090 . 1 . . . . . 3 GLN CA . 27190 1 7 . 1 . 1 3 3 GLN CB C 13 30.400 0.062 . 1 . . . . . 3 GLN CB . 27190 1 8 . 1 . 1 3 3 GLN N N 15 118.613 0.018 . 1 . . . . . 3 GLN N . 27190 1 9 . 1 . 1 4 4 LEU H H 1 8.291 0.002 . 1 . . . . . 4 LEU H . 27190 1 10 . 1 . 1 4 4 LEU C C 13 177.524 0.004 . 1 . . . . . 4 LEU C . 27190 1 11 . 1 . 1 4 4 LEU CA C 13 54.383 0.075 . 1 . . . . . 4 LEU CA . 27190 1 12 . 1 . 1 4 4 LEU CB C 13 43.484 0.039 . 1 . . . . . 4 LEU CB . 27190 1 13 . 1 . 1 4 4 LEU N N 15 122.033 0.036 . 1 . . . . . 4 LEU N . 27190 1 14 . 1 . 1 5 5 THR H H 1 8.754 0.003 . 1 . . . . . 5 THR H . 27190 1 15 . 1 . 1 5 5 THR C C 13 175.382 0.008 . 1 . . . . . 5 THR C . 27190 1 16 . 1 . 1 5 5 THR CA C 13 60.438 0.049 . 1 . . . . . 5 THR CA . 27190 1 17 . 1 . 1 5 5 THR CB C 13 71.106 0.009 . 1 . . . . . 5 THR CB . 27190 1 18 . 1 . 1 5 5 THR N N 15 113.074 0.038 . 1 . . . . . 5 THR N . 27190 1 19 . 1 . 1 6 6 GLU H H 1 9.020 0.004 . 1 . . . . . 6 GLU H . 27190 1 20 . 1 . 1 6 6 GLU C C 13 179.472 0.016 . 1 . . . . . 6 GLU C . 27190 1 21 . 1 . 1 6 6 GLU CA C 13 60.035 0.053 . 1 . . . . . 6 GLU CA . 27190 1 22 . 1 . 1 6 6 GLU CB C 13 29.207 0.063 . 1 . . . . . 6 GLU CB . 27190 1 23 . 1 . 1 6 6 GLU N N 15 120.395 0.019 . 1 . . . . . 6 GLU N . 27190 1 24 . 1 . 1 7 7 GLU H H 1 8.729 0.003 . 1 . . . . . 7 GLU H . 27190 1 25 . 1 . 1 7 7 GLU C C 13 179.285 0.020 . 1 . . . . . 7 GLU C . 27190 1 26 . 1 . 1 7 7 GLU CA C 13 60.195 0.048 . 1 . . . . . 7 GLU CA . 27190 1 27 . 1 . 1 7 7 GLU CB C 13 29.077 0.031 . 1 . . . . . 7 GLU CB . 27190 1 28 . 1 . 1 7 7 GLU N N 15 119.484 0.022 . 1 . . . . . 7 GLU N . 27190 1 29 . 1 . 1 8 8 GLN H H 1 7.717 0.005 . 1 . . . . . 8 GLN H . 27190 1 30 . 1 . 1 8 8 GLN C C 13 177.610 0.032 . 1 . . . . . 8 GLN C . 27190 1 31 . 1 . 1 8 8 GLN CA C 13 58.782 0.043 . 1 . . . . . 8 GLN CA . 27190 1 32 . 1 . 1 8 8 GLN CB C 13 29.045 0.015 . 1 . . . . . 8 GLN CB . 27190 1 33 . 1 . 1 8 8 GLN N N 15 120.647 0.060 . 1 . . . . . 8 GLN N . 27190 1 34 . 1 . 1 9 9 ILE H H 1 8.222 0.004 . 1 . . . . . 9 ILE H . 27190 1 35 . 1 . 1 9 9 ILE C C 13 177.654 0.072 . 1 . . . . . 9 ILE C . 27190 1 36 . 1 . 1 9 9 ILE CA C 13 66.739 0.038 . 1 . . . . . 9 ILE CA . 27190 1 37 . 1 . 1 9 9 ILE CB C 13 38.216 0.009 . 1 . . . . . 9 ILE CB . 27190 1 38 . 1 . 1 9 9 ILE N N 15 118.583 0.043 . 1 . . . . . 9 ILE N . 27190 1 39 . 1 . 1 10 10 ALA H H 1 7.911 0.003 . 1 . . . . . 10 ALA H . 27190 1 40 . 1 . 1 10 10 ALA C C 13 180.730 0.003 . 1 . . . . . 10 ALA C . 27190 1 41 . 1 . 1 10 10 ALA CA C 13 55.382 0.046 . 1 . . . . . 10 ALA CA . 27190 1 42 . 1 . 1 10 10 ALA CB C 13 17.996 0.044 . 1 . . . . . 10 ALA CB . 27190 1 43 . 1 . 1 10 10 ALA N N 15 120.563 0.029 . 1 . . . . . 10 ALA N . 27190 1 44 . 1 . 1 11 11 GLU H H 1 7.780 0.002 . 1 . . . . . 11 GLU H . 27190 1 45 . 1 . 1 11 11 GLU C C 13 180.250 0.016 . 1 . . . . . 11 GLU C . 27190 1 46 . 1 . 1 11 11 GLU CA C 13 59.463 0.049 . 1 . . . . . 11 GLU CA . 27190 1 47 . 1 . 1 11 11 GLU CB C 13 29.465 0.001 . 1 . . . . . 11 GLU CB . 27190 1 48 . 1 . 1 11 11 GLU N N 15 120.340 0.037 . 1 . . . . . 11 GLU N . 27190 1 49 . 1 . 1 12 12 PHE H H 1 8.792 0.005 . 1 . . . . . 12 PHE H . 27190 1 50 . 1 . 1 12 12 PHE C C 13 178.005 0.023 . 1 . . . . . 12 PHE C . 27190 1 51 . 1 . 1 12 12 PHE CA C 13 58.401 0.044 . 1 . . . . . 12 PHE CA . 27190 1 52 . 1 . 1 12 12 PHE CB C 13 36.966 0.075 . 1 . . . . . 12 PHE CB . 27190 1 53 . 1 . 1 12 12 PHE N N 15 120.438 0.036 . 1 . . . . . 12 PHE N . 27190 1 54 . 1 . 1 13 13 LYS H H 1 9.228 0.006 . 1 . . . . . 13 LYS H . 27190 1 55 . 1 . 1 13 13 LYS C C 13 179.130 0.003 . 1 . . . . . 13 LYS C . 27190 1 56 . 1 . 1 13 13 LYS CA C 13 59.805 0.038 . 1 . . . . . 13 LYS CA . 27190 1 57 . 1 . 1 13 13 LYS CB C 13 32.105 0.077 . 1 . . . . . 13 LYS CB . 27190 1 58 . 1 . 1 13 13 LYS N N 15 121.631 0.036 . 1 . . . . . 13 LYS N . 27190 1 59 . 1 . 1 14 14 GLU H H 1 8.059 0.003 . 1 . . . . . 14 GLU H . 27190 1 60 . 1 . 1 14 14 GLU C C 13 178.815 0.037 . 1 . . . . . 14 GLU C . 27190 1 61 . 1 . 1 14 14 GLU CA C 13 59.535 0.061 . 1 . . . . . 14 GLU CA . 27190 1 62 . 1 . 1 14 14 GLU CB C 13 29.356 0.082 . 1 . . . . . 14 GLU CB . 27190 1 63 . 1 . 1 14 14 GLU N N 15 120.604 0.007 . 1 . . . . . 14 GLU N . 27190 1 64 . 1 . 1 15 15 ALA H H 1 7.645 0.002 . 1 . . . . . 15 ALA H . 27190 1 65 . 1 . 1 15 15 ALA C C 13 178.925 0.033 . 1 . . . . . 15 ALA C . 27190 1 66 . 1 . 1 15 15 ALA CA C 13 55.094 0.074 . 1 . . . . . 15 ALA CA . 27190 1 67 . 1 . 1 15 15 ALA CB C 13 19.307 0.009 . 1 . . . . . 15 ALA CB . 27190 1 68 . 1 . 1 15 15 ALA N N 15 120.977 0.031 . 1 . . . . . 15 ALA N . 27190 1 69 . 1 . 1 16 16 PHE H H 1 8.520 0.004 . 1 . . . . . 16 PHE H . 27190 1 70 . 1 . 1 16 16 PHE C C 13 177.449 0.001 . 1 . . . . . 16 PHE C . 27190 1 71 . 1 . 1 16 16 PHE CA C 13 61.955 0.007 . 1 . . . . . 16 PHE CA . 27190 1 72 . 1 . 1 16 16 PHE CB C 13 40.828 0.023 . 1 . . . . . 16 PHE CB . 27190 1 73 . 1 . 1 16 16 PHE N N 15 118.001 0.046 . 1 . . . . . 16 PHE N . 27190 1 74 . 1 . 1 17 17 SER H H 1 8.413 0.006 . 1 . . . . . 17 SER H . 27190 1 75 . 1 . 1 17 17 SER C C 13 175.827 0.027 . 1 . . . . . 17 SER C . 27190 1 76 . 1 . 1 17 17 SER CA C 13 61.736 0.041 . 1 . . . . . 17 SER CA . 27190 1 77 . 1 . 1 17 17 SER N N 15 111.139 0.045 . 1 . . . . . 17 SER N . 27190 1 78 . 1 . 1 18 18 LEU H H 1 7.347 0.005 . 1 . . . . . 18 LEU H . 27190 1 79 . 1 . 1 18 18 LEU C C 13 177.869 0.001 . 1 . . . . . 18 LEU C . 27190 1 80 . 1 . 1 18 18 LEU CA C 13 57.082 0.050 . 1 . . . . . 18 LEU CA . 27190 1 81 . 1 . 1 18 18 LEU CB C 13 41.696 0.031 . 1 . . . . . 18 LEU CB . 27190 1 82 . 1 . 1 18 18 LEU N N 15 121.318 0.050 . 1 . . . . . 18 LEU N . 27190 1 83 . 1 . 1 19 19 PHE H H 1 7.373 0.004 . 1 . . . . . 19 PHE H . 27190 1 84 . 1 . 1 19 19 PHE C C 13 174.512 0.042 . 1 . . . . . 19 PHE C . 27190 1 85 . 1 . 1 19 19 PHE CA C 13 58.481 0.011 . 1 . . . . . 19 PHE CA . 27190 1 86 . 1 . 1 19 19 PHE CB C 13 39.749 0.013 . 1 . . . . . 19 PHE CB . 27190 1 87 . 1 . 1 19 19 PHE N N 15 114.869 0.039 . 1 . . . . . 19 PHE N . 27190 1 88 . 1 . 1 20 20 ASP H H 1 7.297 0.004 . 1 . . . . . 20 ASP H . 27190 1 89 . 1 . 1 20 20 ASP C C 13 176.958 0.001 . 1 . . . . . 20 ASP C . 27190 1 90 . 1 . 1 20 20 ASP CA C 13 52.686 0.107 . 1 . . . . . 20 ASP CA . 27190 1 91 . 1 . 1 20 20 ASP CB C 13 40.016 0.116 . 1 . . . . . 20 ASP CB . 27190 1 92 . 1 . 1 20 20 ASP N N 15 122.633 0.058 . 1 . . . . . 20 ASP N . 27190 1 93 . 1 . 1 21 21 LYS H H 1 8.066 0.003 . 1 . . . . . 21 LYS H . 27190 1 94 . 1 . 1 21 21 LYS C C 13 177.826 0.043 . 1 . . . . . 21 LYS C . 27190 1 95 . 1 . 1 21 21 LYS CA C 13 58.444 0.058 . 1 . . . . . 21 LYS CA . 27190 1 96 . 1 . 1 21 21 LYS CB C 13 32.528 0.037 . 1 . . . . . 21 LYS CB . 27190 1 97 . 1 . 1 21 21 LYS N N 15 123.832 0.035 . 1 . . . . . 21 LYS N . 27190 1 98 . 1 . 1 22 22 ASP H H 1 8.727 0.004 . 1 . . . . . 22 ASP H . 27190 1 99 . 1 . 1 22 22 ASP C C 13 176.794 0.003 . 1 . . . . . 22 ASP C . 27190 1 100 . 1 . 1 22 22 ASP CA C 13 54.510 0.073 . 1 . . . . . 22 ASP CA . 27190 1 101 . 1 . 1 22 22 ASP CB C 13 41.261 0.084 . 1 . . . . . 22 ASP CB . 27190 1 102 . 1 . 1 22 22 ASP N N 15 117.303 0.047 . 1 . . . . . 22 ASP N . 27190 1 103 . 1 . 1 23 23 GLY H H 1 8.004 0.005 . 1 . . . . . 23 GLY H . 27190 1 104 . 1 . 1 23 23 GLY C C 13 175.184 0.046 . 1 . . . . . 23 GLY C . 27190 1 105 . 1 . 1 23 23 GLY CA C 13 46.823 0.017 . 1 . . . . . 23 GLY CA . 27190 1 106 . 1 . 1 23 23 GLY N N 15 110.442 0.025 . 1 . . . . . 23 GLY N . 27190 1 107 . 1 . 1 24 24 ASP H H 1 8.759 0.002 . 1 . . . . . 24 ASP H . 27190 1 108 . 1 . 1 24 24 ASP C C 13 177.361 0.052 . 1 . . . . . 24 ASP C . 27190 1 109 . 1 . 1 24 24 ASP CA C 13 53.891 0.057 . 1 . . . . . 24 ASP CA . 27190 1 110 . 1 . 1 24 24 ASP CB C 13 41.424 0.034 . 1 . . . . . 24 ASP CB . 27190 1 111 . 1 . 1 24 24 ASP N N 15 120.879 0.056 . 1 . . . . . 24 ASP N . 27190 1 112 . 1 . 1 25 25 GLY H H 1 10.164 0.004 . 1 . . . . . 25 GLY H . 27190 1 113 . 1 . 1 25 25 GLY C C 13 174.152 0.034 . 1 . . . . . 25 GLY C . 27190 1 114 . 1 . 1 25 25 GLY CA C 13 45.934 0.008 . 1 . . . . . 25 GLY CA . 27190 1 115 . 1 . 1 25 25 GLY N N 15 112.171 0.033 . 1 . . . . . 25 GLY N . 27190 1 116 . 1 . 1 26 26 THR H H 1 7.587 0.005 . 1 . . . . . 26 THR H . 27190 1 117 . 1 . 1 26 26 THR CA C 13 59.932 0.047 . 1 . . . . . 26 THR CA . 27190 1 118 . 1 . 1 26 26 THR N N 15 110.074 0.023 . 1 . . . . . 26 THR N . 27190 1 119 . 1 . 1 27 27 ILE C C 13 175.925 0.000 . 1 . . . . . 27 ILE C . 27190 1 120 . 1 . 1 27 27 ILE CA C 13 59.096 0.100 . 1 . . . . . 27 ILE CA . 27190 1 121 . 1 . 1 27 27 ILE CB C 13 41.595 0.000 . 1 . . . . . 27 ILE CB . 27190 1 122 . 1 . 1 28 28 THR H H 1 8.327 0.004 . 1 . . . . . 28 THR H . 27190 1 123 . 1 . 1 28 28 THR C C 13 176.803 0.001 . 1 . . . . . 28 THR C . 27190 1 124 . 1 . 1 28 28 THR CA C 13 60.646 0.044 . 1 . . . . . 28 THR CA . 27190 1 125 . 1 . 1 28 28 THR CB C 13 70.627 0.071 . 1 . . . . . 28 THR CB . 27190 1 126 . 1 . 1 28 28 THR N N 15 110.926 0.037 . 1 . . . . . 28 THR N . 27190 1 127 . 1 . 1 29 29 THR H H 1 8.300 0.004 . 1 . . . . . 29 THR H . 27190 1 128 . 1 . 1 29 29 THR C C 13 177.079 0.046 . 1 . . . . . 29 THR C . 27190 1 129 . 1 . 1 29 29 THR CA C 13 65.130 0.064 . 1 . . . . . 29 THR CA . 27190 1 130 . 1 . 1 29 29 THR CB C 13 67.496 0.002 . 1 . . . . . 29 THR CB . 27190 1 131 . 1 . 1 29 29 THR N N 15 112.743 0.030 . 1 . . . . . 29 THR N . 27190 1 132 . 1 . 1 30 30 LYS H H 1 7.638 0.003 . 1 . . . . . 30 LYS H . 27190 1 133 . 1 . 1 30 30 LYS C C 13 177.971 0.031 . 1 . . . . . 30 LYS C . 27190 1 134 . 1 . 1 30 30 LYS CA C 13 58.387 0.062 . 1 . . . . . 30 LYS CA . 27190 1 135 . 1 . 1 30 30 LYS CB C 13 32.263 0.058 . 1 . . . . . 30 LYS CB . 27190 1 136 . 1 . 1 30 30 LYS N N 15 119.088 0.054 . 1 . . . . . 30 LYS N . 27190 1 137 . 1 . 1 31 31 GLU H H 1 7.506 0.003 . 1 . . . . . 31 GLU H . 27190 1 138 . 1 . 1 31 31 GLU C C 13 176.249 0.030 . 1 . . . . . 31 GLU C . 27190 1 139 . 1 . 1 31 31 GLU CA C 13 56.116 0.108 . 1 . . . . . 31 GLU CA . 27190 1 140 . 1 . 1 31 31 GLU CB C 13 29.874 0.000 . 1 . . . . . 31 GLU CB . 27190 1 141 . 1 . 1 31 31 GLU N N 15 117.749 0.048 . 1 . . . . . 31 GLU N . 27190 1 142 . 1 . 1 32 32 LEU H H 1 7.361 0.004 . 1 . . . . . 32 LEU H . 27190 1 143 . 1 . 1 32 32 LEU C C 13 178.090 0.052 . 1 . . . . . 32 LEU C . 27190 1 144 . 1 . 1 32 32 LEU CA C 13 58.630 0.073 . 1 . . . . . 32 LEU CA . 27190 1 145 . 1 . 1 32 32 LEU CB C 13 41.802 0.028 . 1 . . . . . 32 LEU CB . 27190 1 146 . 1 . 1 32 32 LEU N N 15 121.097 0.025 . 1 . . . . . 32 LEU N . 27190 1 147 . 1 . 1 33 33 GLY H H 1 8.797 0.004 . 1 . . . . . 33 GLY H . 27190 1 148 . 1 . 1 33 33 GLY C C 13 174.934 0.018 . 1 . . . . . 33 GLY C . 27190 1 149 . 1 . 1 33 33 GLY CA C 13 48.272 0.151 . 1 . . . . . 33 GLY CA . 27190 1 150 . 1 . 1 33 33 GLY N N 15 105.656 0.019 . 1 . . . . . 33 GLY N . 27190 1 151 . 1 . 1 34 34 THR H H 1 7.506 0.002 . 1 . . . . . 34 THR H . 27190 1 152 . 1 . 1 34 34 THR C C 13 177.306 0.045 . 1 . . . . . 34 THR C . 27190 1 153 . 1 . 1 34 34 THR CA C 13 66.037 0.023 . 1 . . . . . 34 THR CA . 27190 1 154 . 1 . 1 34 34 THR CB C 13 68.191 0.046 . 1 . . . . . 34 THR CB . 27190 1 155 . 1 . 1 34 34 THR N N 15 118.546 0.018 . 1 . . . . . 34 THR N . 27190 1 156 . 1 . 1 35 35 VAL H H 1 7.961 0.005 . 1 . . . . . 35 VAL H . 27190 1 157 . 1 . 1 35 35 VAL C C 13 179.215 0.007 . 1 . . . . . 35 VAL C . 27190 1 158 . 1 . 1 35 35 VAL CA C 13 66.373 0.047 . 1 . . . . . 35 VAL CA . 27190 1 159 . 1 . 1 35 35 VAL CB C 13 31.173 0.160 . 1 . . . . . 35 VAL CB . 27190 1 160 . 1 . 1 35 35 VAL N N 15 122.964 0.046 . 1 . . . . . 35 VAL N . 27190 1 161 . 1 . 1 36 36 MET H H 1 8.454 0.003 . 1 . . . . . 36 MET H . 27190 1 162 . 1 . 1 36 36 MET C C 13 179.052 0.081 . 1 . . . . . 36 MET C . 27190 1 163 . 1 . 1 36 36 MET CA C 13 60.243 0.015 . 1 . . . . . 36 MET CA . 27190 1 164 . 1 . 1 36 36 MET CB C 13 31.810 0.072 . 1 . . . . . 36 MET CB . 27190 1 165 . 1 . 1 36 36 MET N N 15 118.704 0.029 . 1 . . . . . 36 MET N . 27190 1 166 . 1 . 1 37 37 ARG H H 1 8.508 0.002 . 1 . . . . . 37 ARG H . 27190 1 167 . 1 . 1 37 37 ARG C C 13 181.293 0.027 . 1 . . . . . 37 ARG C . 27190 1 168 . 1 . 1 37 37 ARG CA C 13 59.257 0.065 . 1 . . . . . 37 ARG CA . 27190 1 169 . 1 . 1 37 37 ARG CB C 13 30.185 0.117 . 1 . . . . . 37 ARG CB . 27190 1 170 . 1 . 1 37 37 ARG N N 15 119.680 0.044 . 1 . . . . . 37 ARG N . 27190 1 171 . 1 . 1 38 38 SER H H 1 8.112 0.002 . 1 . . . . . 38 SER H . 27190 1 172 . 1 . 1 38 38 SER C C 13 175.025 0.045 . 1 . . . . . 38 SER C . 27190 1 173 . 1 . 1 38 38 SER CA C 13 61.746 0.021 . 1 . . . . . 38 SER CA . 27190 1 174 . 1 . 1 38 38 SER CB C 13 62.980 0.056 . 1 . . . . . 38 SER CB . 27190 1 175 . 1 . 1 38 38 SER N N 15 119.228 0.044 . 1 . . . . . 38 SER N . 27190 1 176 . 1 . 1 39 39 LEU H H 1 7.339 0.003 . 1 . . . . . 39 LEU H . 27190 1 177 . 1 . 1 39 39 LEU C C 13 177.176 0.025 . 1 . . . . . 39 LEU C . 27190 1 178 . 1 . 1 39 39 LEU CA C 13 54.513 0.087 . 1 . . . . . 39 LEU CA . 27190 1 179 . 1 . 1 39 39 LEU CB C 13 42.875 0.081 . 1 . . . . . 39 LEU CB . 27190 1 180 . 1 . 1 39 39 LEU N N 15 121.270 0.022 . 1 . . . . . 39 LEU N . 27190 1 181 . 1 . 1 40 40 GLY H H 1 7.925 0.003 . 1 . . . . . 40 GLY H . 27190 1 182 . 1 . 1 40 40 GLY C C 13 174.349 0.020 . 1 . . . . . 40 GLY C . 27190 1 183 . 1 . 1 40 40 GLY CA C 13 45.790 0.024 . 1 . . . . . 40 GLY CA . 27190 1 184 . 1 . 1 40 40 GLY N N 15 107.363 0.033 . 1 . . . . . 40 GLY N . 27190 1 185 . 1 . 1 41 41 GLN H H 1 7.767 0.002 . 1 . . . . . 41 GLN H . 27190 1 186 . 1 . 1 41 41 GLN C C 13 174.037 0.018 . 1 . . . . . 41 GLN C . 27190 1 187 . 1 . 1 41 41 GLN CA C 13 54.158 0.067 . 1 . . . . . 41 GLN CA . 27190 1 188 . 1 . 1 41 41 GLN CB C 13 30.124 0.029 . 1 . . . . . 41 GLN CB . 27190 1 189 . 1 . 1 41 41 GLN N N 15 117.983 0.023 . 1 . . . . . 41 GLN N . 27190 1 190 . 1 . 1 42 42 ASN H H 1 8.661 0.003 . 1 . . . . . 42 ASN H . 27190 1 191 . 1 . 1 42 42 ASN C C 13 172.082 0.000 . 1 . . . . . 42 ASN C . 27190 1 192 . 1 . 1 42 42 ASN CA C 13 51.289 0.004 . 1 . . . . . 42 ASN CA . 27190 1 193 . 1 . 1 42 42 ASN CB C 13 39.327 0.000 . 1 . . . . . 42 ASN CB . 27190 1 194 . 1 . 1 42 42 ASN N N 15 116.756 0.071 . 1 . . . . . 42 ASN N . 27190 1 195 . 1 . 1 43 43 PRO C C 13 177.593 0.000 . 1 . . . . . 43 PRO C . 27190 1 196 . 1 . 1 43 43 PRO CA C 13 62.379 0.094 . 1 . . . . . 43 PRO CA . 27190 1 197 . 1 . 1 43 43 PRO CB C 13 31.986 0.000 . 1 . . . . . 43 PRO CB . 27190 1 198 . 1 . 1 44 44 THR H H 1 8.755 0.003 . 1 . . . . . 44 THR H . 27190 1 199 . 1 . 1 44 44 THR C C 13 175.088 0.035 . 1 . . . . . 44 THR C . 27190 1 200 . 1 . 1 44 44 THR CA C 13 60.741 0.009 . 1 . . . . . 44 THR CA . 27190 1 201 . 1 . 1 44 44 THR CB C 13 70.961 0.010 . 1 . . . . . 44 THR CB . 27190 1 202 . 1 . 1 44 44 THR N N 15 113.389 0.039 . 1 . . . . . 44 THR N . 27190 1 203 . 1 . 1 45 45 GLU H H 1 8.857 0.005 . 1 . . . . . 45 GLU H . 27190 1 204 . 1 . 1 45 45 GLU C C 13 179.175 0.025 . 1 . . . . . 45 GLU C . 27190 1 205 . 1 . 1 45 45 GLU CA C 13 60.057 0.041 . 1 . . . . . 45 GLU CA . 27190 1 206 . 1 . 1 45 45 GLU CB C 13 29.070 0.014 . 1 . . . . . 45 GLU CB . 27190 1 207 . 1 . 1 45 45 GLU N N 15 120.681 0.038 . 1 . . . . . 45 GLU N . 27190 1 208 . 1 . 1 46 46 ALA H H 1 8.325 0.003 . 1 . . . . . 46 ALA H . 27190 1 209 . 1 . 1 46 46 ALA C C 13 180.100 0.040 . 1 . . . . . 46 ALA C . 27190 1 210 . 1 . 1 46 46 ALA CA C 13 55.068 0.048 . 1 . . . . . 46 ALA CA . 27190 1 211 . 1 . 1 46 46 ALA CB C 13 18.303 0.026 . 1 . . . . . 46 ALA CB . 27190 1 212 . 1 . 1 46 46 ALA N N 15 121.216 0.048 . 1 . . . . . 46 ALA N . 27190 1 213 . 1 . 1 47 47 GLU H H 1 7.731 0.004 . 1 . . . . . 47 GLU H . 27190 1 214 . 1 . 1 47 47 GLU C C 13 179.905 0.012 . 1 . . . . . 47 GLU C . 27190 1 215 . 1 . 1 47 47 GLU CA C 13 58.892 0.062 . 1 . . . . . 47 GLU CA . 27190 1 216 . 1 . 1 47 47 GLU CB C 13 30.061 0.020 . 1 . . . . . 47 GLU CB . 27190 1 217 . 1 . 1 47 47 GLU N N 15 119.094 0.024 . 1 . . . . . 47 GLU N . 27190 1 218 . 1 . 1 48 48 LEU H H 1 8.339 0.003 . 1 . . . . . 48 LEU H . 27190 1 219 . 1 . 1 48 48 LEU C C 13 178.360 0.018 . 1 . . . . . 48 LEU C . 27190 1 220 . 1 . 1 48 48 LEU CA C 13 58.065 0.059 . 1 . . . . . 48 LEU CA . 27190 1 221 . 1 . 1 48 48 LEU CB C 13 41.869 0.049 . 1 . . . . . 48 LEU CB . 27190 1 222 . 1 . 1 48 48 LEU N N 15 120.326 0.039 . 1 . . . . . 48 LEU N . 27190 1 223 . 1 . 1 49 49 GLN H H 1 8.065 0.003 . 1 . . . . . 49 GLN H . 27190 1 224 . 1 . 1 49 49 GLN C C 13 178.283 0.026 . 1 . . . . . 49 GLN C . 27190 1 225 . 1 . 1 49 49 GLN CA C 13 58.671 0.063 . 1 . . . . . 49 GLN CA . 27190 1 226 . 1 . 1 49 49 GLN CB C 13 28.159 0.064 . 1 . . . . . 49 GLN CB . 27190 1 227 . 1 . 1 49 49 GLN N N 15 117.737 0.032 . 1 . . . . . 49 GLN N . 27190 1 228 . 1 . 1 50 50 ASP H H 1 7.833 0.002 . 1 . . . . . 50 ASP H . 27190 1 229 . 1 . 1 50 50 ASP C C 13 178.892 0.051 . 1 . . . . . 50 ASP C . 27190 1 230 . 1 . 1 50 50 ASP CA C 13 57.493 0.055 . 1 . . . . . 50 ASP CA . 27190 1 231 . 1 . 1 50 50 ASP CB C 13 40.464 0.062 . 1 . . . . . 50 ASP CB . 27190 1 232 . 1 . 1 50 50 ASP N N 15 119.117 0.016 . 1 . . . . . 50 ASP N . 27190 1 233 . 1 . 1 51 51 MET H H 1 7.943 0.002 . 1 . . . . . 51 MET H . 27190 1 234 . 1 . 1 51 51 MET C C 13 178.416 0.006 . 1 . . . . . 51 MET C . 27190 1 235 . 1 . 1 51 51 MET CA C 13 59.740 0.028 . 1 . . . . . 51 MET CA . 27190 1 236 . 1 . 1 51 51 MET CB C 13 34.176 0.042 . 1 . . . . . 51 MET CB . 27190 1 237 . 1 . 1 51 51 MET N N 15 119.291 0.029 . 1 . . . . . 51 MET N . 27190 1 238 . 1 . 1 52 52 ILE H H 1 8.325 0.004 . 1 . . . . . 52 ILE H . 27190 1 239 . 1 . 1 52 52 ILE C C 13 177.539 0.006 . 1 . . . . . 52 ILE C . 27190 1 240 . 1 . 1 52 52 ILE CA C 13 65.363 0.023 . 1 . . . . . 52 ILE CA . 27190 1 241 . 1 . 1 52 52 ILE CB C 13 38.191 0.114 . 1 . . . . . 52 ILE CB . 27190 1 242 . 1 . 1 52 52 ILE N N 15 119.253 0.068 . 1 . . . . . 52 ILE N . 27190 1 243 . 1 . 1 53 53 ASN H H 1 8.253 0.004 . 1 . . . . . 53 ASN H . 27190 1 244 . 1 . 1 53 53 ASN C C 13 176.819 0.008 . 1 . . . . . 53 ASN C . 27190 1 245 . 1 . 1 53 53 ASN CA C 13 55.413 0.077 . 1 . . . . . 53 ASN CA . 27190 1 246 . 1 . 1 53 53 ASN CB C 13 38.260 0.060 . 1 . . . . . 53 ASN CB . 27190 1 247 . 1 . 1 53 53 ASN N N 15 117.585 0.050 . 1 . . . . . 53 ASN N . 27190 1 248 . 1 . 1 54 54 GLU H H 1 7.580 0.003 . 1 . . . . . 54 GLU H . 27190 1 249 . 1 . 1 54 54 GLU C C 13 177.821 0.039 . 1 . . . . . 54 GLU C . 27190 1 250 . 1 . 1 54 54 GLU CA C 13 58.442 0.058 . 1 . . . . . 54 GLU CA . 27190 1 251 . 1 . 1 54 54 GLU CB C 13 30.226 0.097 . 1 . . . . . 54 GLU CB . 27190 1 252 . 1 . 1 54 54 GLU N N 15 117.567 0.028 . 1 . . . . . 54 GLU N . 27190 1 253 . 1 . 1 55 55 VAL H H 1 7.634 0.005 . 1 . . . . . 55 VAL H . 27190 1 254 . 1 . 1 55 55 VAL C C 13 175.719 0.011 . 1 . . . . . 55 VAL C . 27190 1 255 . 1 . 1 55 55 VAL CA C 13 62.319 0.023 . 1 . . . . . 55 VAL CA . 27190 1 256 . 1 . 1 55 55 VAL CB C 13 32.861 0.109 . 1 . . . . . 55 VAL CB . 27190 1 257 . 1 . 1 55 55 VAL N N 15 113.256 0.027 . 1 . . . . . 55 VAL N . 27190 1 258 . 1 . 1 56 56 ASP H H 1 8.459 0.004 . 1 . . . . . 56 ASP H . 27190 1 259 . 1 . 1 56 56 ASP C C 13 176.926 0.009 . 1 . . . . . 56 ASP C . 27190 1 260 . 1 . 1 56 56 ASP CA C 13 53.599 0.074 . 1 . . . . . 56 ASP CA . 27190 1 261 . 1 . 1 56 56 ASP CB C 13 40.734 0.050 . 1 . . . . . 56 ASP CB . 27190 1 262 . 1 . 1 56 56 ASP N N 15 122.140 0.062 . 1 . . . . . 56 ASP N . 27190 1 263 . 1 . 1 57 57 ALA H H 1 8.153 0.004 . 1 . . . . . 57 ALA H . 27190 1 264 . 1 . 1 57 57 ALA C C 13 179.012 0.014 . 1 . . . . . 57 ALA C . 27190 1 265 . 1 . 1 57 57 ALA CA C 13 54.755 0.069 . 1 . . . . . 57 ALA CA . 27190 1 266 . 1 . 1 57 57 ALA CB C 13 18.989 0.066 . 1 . . . . . 57 ALA CB . 27190 1 267 . 1 . 1 57 57 ALA N N 15 125.152 0.047 . 1 . . . . . 57 ALA N . 27190 1 268 . 1 . 1 58 58 ASP H H 1 8.435 0.003 . 1 . . . . . 58 ASP H . 27190 1 269 . 1 . 1 58 58 ASP C C 13 177.021 0.000 . 1 . . . . . 58 ASP C . 27190 1 270 . 1 . 1 58 58 ASP CA C 13 54.503 0.055 . 1 . . . . . 58 ASP CA . 27190 1 271 . 1 . 1 58 58 ASP CB C 13 41.137 0.034 . 1 . . . . . 58 ASP CB . 27190 1 272 . 1 . 1 58 58 ASP N N 15 115.041 0.039 . 1 . . . . . 58 ASP N . 27190 1 273 . 1 . 1 59 59 GLY H H 1 7.908 0.003 . 1 . . . . . 59 GLY H . 27190 1 274 . 1 . 1 59 59 GLY C C 13 175.454 0.002 . 1 . . . . . 59 GLY C . 27190 1 275 . 1 . 1 59 59 GLY CA C 13 46.831 0.055 . 1 . . . . . 59 GLY CA . 27190 1 276 . 1 . 1 59 59 GLY N N 15 109.196 0.026 . 1 . . . . . 59 GLY N . 27190 1 277 . 1 . 1 60 60 ASN H H 1 9.255 0.005 . 1 . . . . . 60 ASN H . 27190 1 278 . 1 . 1 60 60 ASN C C 13 177.050 0.024 . 1 . . . . . 60 ASN C . 27190 1 279 . 1 . 1 60 60 ASN CA C 13 54.306 0.064 . 1 . . . . . 60 ASN CA . 27190 1 280 . 1 . 1 60 60 ASN CB C 13 39.355 0.032 . 1 . . . . . 60 ASN CB . 27190 1 281 . 1 . 1 60 60 ASN N N 15 119.949 0.013 . 1 . . . . . 60 ASN N . 27190 1 282 . 1 . 1 61 61 GLY H H 1 9.960 0.007 . 1 . . . . . 61 GLY H . 27190 1 283 . 1 . 1 61 61 GLY C C 13 174.627 0.027 . 1 . . . . . 61 GLY C . 27190 1 284 . 1 . 1 61 61 GLY CA C 13 45.875 0.016 . 1 . . . . . 61 GLY CA . 27190 1 285 . 1 . 1 61 61 GLY N N 15 110.389 0.067 . 1 . . . . . 61 GLY N . 27190 1 286 . 1 . 1 62 62 THR H H 1 7.566 0.004 . 1 . . . . . 62 THR H . 27190 1 287 . 1 . 1 62 62 THR C C 13 172.830 0.008 . 1 . . . . . 62 THR C . 27190 1 288 . 1 . 1 62 62 THR CA C 13 59.763 0.025 . 1 . . . . . 62 THR CA . 27190 1 289 . 1 . 1 62 62 THR CB C 13 72.608 0.041 . 1 . . . . . 62 THR CB . 27190 1 290 . 1 . 1 62 62 THR N N 15 111.016 0.018 . 1 . . . . . 62 THR N . 27190 1 291 . 1 . 1 63 63 ILE H H 1 8.905 0.004 . 1 . . . . . 63 ILE H . 27190 1 292 . 1 . 1 63 63 ILE C C 13 174.446 0.000 . 1 . . . . . 63 ILE C . 27190 1 293 . 1 . 1 63 63 ILE CA C 13 59.953 0.011 . 1 . . . . . 63 ILE CA . 27190 1 294 . 1 . 1 63 63 ILE CB C 13 41.720 0.000 . 1 . . . . . 63 ILE CB . 27190 1 295 . 1 . 1 63 63 ILE N N 15 119.092 0.065 . 1 . . . . . 63 ILE N . 27190 1 296 . 1 . 1 64 64 ASP H H 1 8.528 0.009 . 1 . . . . . 64 ASP H . 27190 1 297 . 1 . 1 64 64 ASP C C 13 176.157 0.076 . 1 . . . . . 64 ASP C . 27190 1 298 . 1 . 1 64 64 ASP CA C 13 52.096 0.100 . 1 . . . . . 64 ASP CA . 27190 1 299 . 1 . 1 64 64 ASP CB C 13 42.226 0.076 . 1 . . . . . 64 ASP CB . 27190 1 300 . 1 . 1 64 64 ASP N N 15 124.652 0.041 . 1 . . . . . 64 ASP N . 27190 1 301 . 1 . 1 65 65 PHE H H 1 8.646 0.004 . 1 . . . . . 65 PHE H . 27190 1 302 . 1 . 1 65 65 PHE C C 13 173.814 0.000 . 1 . . . . . 65 PHE C . 27190 1 303 . 1 . 1 65 65 PHE CA C 13 62.984 0.035 . 1 . . . . . 65 PHE CA . 27190 1 304 . 1 . 1 65 65 PHE N N 15 118.938 0.081 . 1 . . . . . 65 PHE N . 27190 1 305 . 1 . 1 66 66 PRO C C 13 179.880 0.000 . 1 . . . . . 66 PRO C . 27190 1 306 . 1 . 1 66 66 PRO CA C 13 66.445 0.000 . 1 . . . . . 66 PRO CA . 27190 1 307 . 1 . 1 66 66 PRO CB C 13 30.575 0.000 . 1 . . . . . 66 PRO CB . 27190 1 308 . 1 . 1 67 67 GLU H H 1 8.072 0.003 . 1 . . . . . 67 GLU H . 27190 1 309 . 1 . 1 67 67 GLU C C 13 179.041 0.037 . 1 . . . . . 67 GLU C . 27190 1 310 . 1 . 1 67 67 GLU CA C 13 59.181 0.038 . 1 . . . . . 67 GLU CA . 27190 1 311 . 1 . 1 67 67 GLU CB C 13 29.534 0.118 . 1 . . . . . 67 GLU CB . 27190 1 312 . 1 . 1 67 67 GLU N N 15 117.856 0.057 . 1 . . . . . 67 GLU N . 27190 1 313 . 1 . 1 68 68 PHE H H 1 8.466 0.005 . 1 . . . . . 68 PHE H . 27190 1 314 . 1 . 1 68 68 PHE C C 13 176.783 0.024 . 1 . . . . . 68 PHE C . 27190 1 315 . 1 . 1 68 68 PHE CA C 13 61.494 0.028 . 1 . . . . . 68 PHE CA . 27190 1 316 . 1 . 1 68 68 PHE CB C 13 39.531 0.050 . 1 . . . . . 68 PHE CB . 27190 1 317 . 1 . 1 68 68 PHE N N 15 122.669 0.028 . 1 . . . . . 68 PHE N . 27190 1 318 . 1 . 1 69 69 LEU H H 1 8.463 0.002 . 1 . . . . . 69 LEU H . 27190 1 319 . 1 . 1 69 69 LEU C C 13 179.328 0.036 . 1 . . . . . 69 LEU C . 27190 1 320 . 1 . 1 69 69 LEU CA C 13 57.855 0.080 . 1 . . . . . 69 LEU CA . 27190 1 321 . 1 . 1 69 69 LEU CB C 13 40.967 0.056 . 1 . . . . . 69 LEU CB . 27190 1 322 . 1 . 1 69 69 LEU N N 15 118.802 0.049 . 1 . . . . . 69 LEU N . 27190 1 323 . 1 . 1 70 70 THR H H 1 7.730 0.003 . 1 . . . . . 70 THR H . 27190 1 324 . 1 . 1 70 70 THR C C 13 176.640 0.019 . 1 . . . . . 70 THR C . 27190 1 325 . 1 . 1 70 70 THR CA C 13 66.524 0.043 . 1 . . . . . 70 THR CA . 27190 1 326 . 1 . 1 70 70 THR CB C 13 68.488 0.031 . 1 . . . . . 70 THR CB . 27190 1 327 . 1 . 1 70 70 THR N N 15 115.737 0.024 . 1 . . . . . 70 THR N . 27190 1 328 . 1 . 1 71 71 MET H H 1 7.739 0.004 . 1 . . . . . 71 MET H . 27190 1 329 . 1 . 1 71 71 MET C C 13 178.582 0.038 . 1 . . . . . 71 MET C . 27190 1 330 . 1 . 1 71 71 MET CA C 13 59.004 0.045 . 1 . . . . . 71 MET CA . 27190 1 331 . 1 . 1 71 71 MET CB C 13 32.662 0.062 . 1 . . . . . 71 MET CB . 27190 1 332 . 1 . 1 71 71 MET N N 15 121.628 0.038 . 1 . . . . . 71 MET N . 27190 1 333 . 1 . 1 72 72 MET H H 1 8.030 0.003 . 1 . . . . . 72 MET H . 27190 1 334 . 1 . 1 72 72 MET C C 13 178.554 0.032 . 1 . . . . . 72 MET C . 27190 1 335 . 1 . 1 72 72 MET CA C 13 56.012 0.079 . 1 . . . . . 72 MET CA . 27190 1 336 . 1 . 1 72 72 MET CB C 13 30.978 0.079 . 1 . . . . . 72 MET CB . 27190 1 337 . 1 . 1 72 72 MET N N 15 117.769 0.086 . 1 . . . . . 72 MET N . 27190 1 338 . 1 . 1 73 73 ALA H H 1 8.313 0.002 . 1 . . . . . 73 ALA H . 27190 1 339 . 1 . 1 73 73 ALA C C 13 179.837 0.026 . 1 . . . . . 73 ALA C . 27190 1 340 . 1 . 1 73 73 ALA CA C 13 54.964 0.053 . 1 . . . . . 73 ALA CA . 27190 1 341 . 1 . 1 73 73 ALA CB C 13 17.978 0.030 . 1 . . . . . 73 ALA CB . 27190 1 342 . 1 . 1 73 73 ALA N N 15 121.387 0.055 . 1 . . . . . 73 ALA N . 27190 1 343 . 1 . 1 74 74 ARG H H 1 7.474 0.004 . 1 . . . . . 74 ARG H . 27190 1 344 . 1 . 1 74 74 ARG C C 13 178.223 0.012 . 1 . . . . . 74 ARG C . 27190 1 345 . 1 . 1 74 74 ARG CA C 13 58.749 0.029 . 1 . . . . . 74 ARG CA . 27190 1 346 . 1 . 1 74 74 ARG CB C 13 30.255 0.061 . 1 . . . . . 74 ARG CB . 27190 1 347 . 1 . 1 74 74 ARG N N 15 116.802 0.042 . 1 . . . . . 74 ARG N . 27190 1 348 . 1 . 1 75 75 LYS H H 1 7.713 0.003 . 1 . . . . . 75 LYS H . 27190 1 349 . 1 . 1 75 75 LYS C C 13 177.836 0.004 . 1 . . . . . 75 LYS C . 27190 1 350 . 1 . 1 75 75 LYS CA C 13 56.776 0.055 . 1 . . . . . 75 LYS CA . 27190 1 351 . 1 . 1 75 75 LYS CB C 13 31.769 0.034 . 1 . . . . . 75 LYS CB . 27190 1 352 . 1 . 1 75 75 LYS N N 15 118.433 0.039 . 1 . . . . . 75 LYS N . 27190 1 353 . 1 . 1 76 76 MET H H 1 7.920 0.001 . 1 . . . . . 76 MET H . 27190 1 354 . 1 . 1 76 76 MET C C 13 176.585 0.008 . 1 . . . . . 76 MET C . 27190 1 355 . 1 . 1 76 76 MET CA C 13 56.492 0.071 . 1 . . . . . 76 MET CA . 27190 1 356 . 1 . 1 76 76 MET CB C 13 32.906 0.067 . 1 . . . . . 76 MET CB . 27190 1 357 . 1 . 1 76 76 MET N N 15 117.633 0.040 . 1 . . . . . 76 MET N . 27190 1 358 . 1 . 1 77 77 LYS H H 1 7.670 0.001 . 1 . . . . . 77 LYS H . 27190 1 359 . 1 . 1 77 77 LYS C C 13 176.459 0.005 . 1 . . . . . 77 LYS C . 27190 1 360 . 1 . 1 77 77 LYS CA C 13 56.949 0.060 . 1 . . . . . 77 LYS CA . 27190 1 361 . 1 . 1 77 77 LYS CB C 13 33.031 0.045 . 1 . . . . . 77 LYS CB . 27190 1 362 . 1 . 1 77 77 LYS N N 15 120.580 0.041 . 1 . . . . . 77 LYS N . 27190 1 363 . 1 . 1 78 78 ASP H H 1 8.271 0.002 . 1 . . . . . 78 ASP H . 27190 1 364 . 1 . 1 78 78 ASP C C 13 176.366 0.008 . 1 . . . . . 78 ASP C . 27190 1 365 . 1 . 1 78 78 ASP CA C 13 54.666 0.083 . 1 . . . . . 78 ASP CA . 27190 1 366 . 1 . 1 78 78 ASP CB C 13 41.115 0.032 . 1 . . . . . 78 ASP CB . 27190 1 367 . 1 . 1 78 78 ASP N N 15 121.703 0.044 . 1 . . . . . 78 ASP N . 27190 1 368 . 1 . 1 79 79 THR H H 1 7.984 0.002 . 1 . . . . . 79 THR H . 27190 1 369 . 1 . 1 79 79 THR C C 13 174.034 0.032 . 1 . . . . . 79 THR C . 27190 1 370 . 1 . 1 79 79 THR CA C 13 62.098 0.027 . 1 . . . . . 79 THR CA . 27190 1 371 . 1 . 1 79 79 THR CB C 13 70.024 0.072 . 1 . . . . . 79 THR CB . 27190 1 372 . 1 . 1 79 79 THR N N 15 114.417 0.027 . 1 . . . . . 79 THR N . 27190 1 373 . 1 . 1 80 80 ASP H H 1 8.238 0.002 . 1 . . . . . 80 ASP H . 27190 1 374 . 1 . 1 80 80 ASP C C 13 175.974 0.044 . 1 . . . . . 80 ASP C . 27190 1 375 . 1 . 1 80 80 ASP CA C 13 54.523 0.047 . 1 . . . . . 80 ASP CA . 27190 1 376 . 1 . 1 80 80 ASP CB C 13 41.800 0.023 . 1 . . . . . 80 ASP CB . 27190 1 377 . 1 . 1 80 80 ASP N N 15 122.750 0.020 . 1 . . . . . 80 ASP N . 27190 1 378 . 1 . 1 81 81 SER H H 1 8.550 0.003 . 1 . . . . . 81 SER H . 27190 1 379 . 1 . 1 81 81 SER C C 13 175.077 0.004 . 1 . . . . . 81 SER C . 27190 1 380 . 1 . 1 81 81 SER CA C 13 58.572 0.055 . 1 . . . . . 81 SER CA . 27190 1 381 . 1 . 1 81 81 SER CB C 13 64.367 0.065 . 1 . . . . . 81 SER CB . 27190 1 382 . 1 . 1 81 81 SER N N 15 117.337 0.052 . 1 . . . . . 81 SER N . 27190 1 383 . 1 . 1 82 82 GLU H H 1 8.813 0.007 . 1 . . . . . 82 GLU H . 27190 1 384 . 1 . 1 82 82 GLU C C 13 177.839 0.034 . 1 . . . . . 82 GLU C . 27190 1 385 . 1 . 1 82 82 GLU CA C 13 60.169 0.053 . 1 . . . . . 82 GLU CA . 27190 1 386 . 1 . 1 82 82 GLU CB C 13 29.760 0.016 . 1 . . . . . 82 GLU CB . 27190 1 387 . 1 . 1 82 82 GLU N N 15 122.749 0.031 . 1 . . . . . 82 GLU N . 27190 1 388 . 1 . 1 83 83 GLU H H 1 8.374 0.002 . 1 . . . . . 83 GLU H . 27190 1 389 . 1 . 1 83 83 GLU C C 13 178.430 0.014 . 1 . . . . . 83 GLU C . 27190 1 390 . 1 . 1 83 83 GLU CA C 13 59.526 0.066 . 1 . . . . . 83 GLU CA . 27190 1 391 . 1 . 1 83 83 GLU CB C 13 29.347 0.055 . 1 . . . . . 83 GLU CB . 27190 1 392 . 1 . 1 83 83 GLU N N 15 118.173 0.020 . 1 . . . . . 83 GLU N . 27190 1 393 . 1 . 1 84 84 GLU H H 1 7.856 0.004 . 1 . . . . . 84 GLU H . 27190 1 394 . 1 . 1 84 84 GLU C C 13 179.434 0.000 . 1 . . . . . 84 GLU C . 27190 1 395 . 1 . 1 84 84 GLU CA C 13 59.315 0.075 . 1 . . . . . 84 GLU CA . 27190 1 396 . 1 . 1 84 84 GLU CB C 13 29.833 0.082 . 1 . . . . . 84 GLU CB . 27190 1 397 . 1 . 1 84 84 GLU N N 15 118.994 0.021 . 1 . . . . . 84 GLU N . 27190 1 398 . 1 . 1 85 85 ILE H H 1 8.053 0.004 . 1 . . . . . 85 ILE H . 27190 1 399 . 1 . 1 85 85 ILE C C 13 177.682 0.012 . 1 . . . . . 85 ILE C . 27190 1 400 . 1 . 1 85 85 ILE CA C 13 64.893 0.017 . 1 . . . . . 85 ILE CA . 27190 1 401 . 1 . 1 85 85 ILE CB C 13 37.908 0.071 . 1 . . . . . 85 ILE CB . 27190 1 402 . 1 . 1 85 85 ILE N N 15 119.835 0.082 . 1 . . . . . 85 ILE N . 27190 1 403 . 1 . 1 86 86 ARG H H 1 8.495 0.006 . 1 . . . . . 86 ARG H . 27190 1 404 . 1 . 1 86 86 ARG C C 13 178.423 0.003 . 1 . . . . . 86 ARG C . 27190 1 405 . 1 . 1 86 86 ARG CA C 13 61.565 0.051 . 1 . . . . . 86 ARG CA . 27190 1 406 . 1 . 1 86 86 ARG CB C 13 30.497 0.124 . 1 . . . . . 86 ARG CB . 27190 1 407 . 1 . 1 86 86 ARG N N 15 120.521 0.042 . 1 . . . . . 86 ARG N . 27190 1 408 . 1 . 1 87 87 GLU H H 1 8.358 0.004 . 1 . . . . . 87 GLU H . 27190 1 409 . 1 . 1 87 87 GLU C C 13 178.299 0.045 . 1 . . . . . 87 GLU C . 27190 1 410 . 1 . 1 87 87 GLU CA C 13 58.897 0.069 . 1 . . . . . 87 GLU CA . 27190 1 411 . 1 . 1 87 87 GLU CB C 13 29.266 0.095 . 1 . . . . . 87 GLU CB . 27190 1 412 . 1 . 1 87 87 GLU N N 15 116.606 0.022 . 1 . . . . . 87 GLU N . 27190 1 413 . 1 . 1 88 88 ALA H H 1 7.624 0.004 . 1 . . . . . 88 ALA H . 27190 1 414 . 1 . 1 88 88 ALA C C 13 178.850 0.013 . 1 . . . . . 88 ALA C . 27190 1 415 . 1 . 1 88 88 ALA CA C 13 54.914 0.082 . 1 . . . . . 88 ALA CA . 27190 1 416 . 1 . 1 88 88 ALA CB C 13 18.347 0.070 . 1 . . . . . 88 ALA CB . 27190 1 417 . 1 . 1 88 88 ALA N N 15 122.310 0.030 . 1 . . . . . 88 ALA N . 27190 1 418 . 1 . 1 89 89 PHE H H 1 7.693 0.003 . 1 . . . . . 89 PHE H . 27190 1 419 . 1 . 1 89 89 PHE C C 13 178.696 0.013 . 1 . . . . . 89 PHE C . 27190 1 420 . 1 . 1 89 89 PHE CA C 13 62.890 0.083 . 1 . . . . . 89 PHE CA . 27190 1 421 . 1 . 1 89 89 PHE CB C 13 40.118 0.043 . 1 . . . . . 89 PHE CB . 27190 1 422 . 1 . 1 89 89 PHE N N 15 114.241 0.022 . 1 . . . . . 89 PHE N . 27190 1 423 . 1 . 1 90 90 ARG H H 1 7.943 0.004 . 1 . . . . . 90 ARG H . 27190 1 424 . 1 . 1 90 90 ARG C C 13 178.939 0.032 . 1 . . . . . 90 ARG C . 27190 1 425 . 1 . 1 90 90 ARG CA C 13 59.553 0.043 . 1 . . . . . 90 ARG CA . 27190 1 426 . 1 . 1 90 90 ARG CB C 13 29.995 0.037 . 1 . . . . . 90 ARG CB . 27190 1 427 . 1 . 1 90 90 ARG N N 15 117.497 0.052 . 1 . . . . . 90 ARG N . 27190 1 428 . 1 . 1 91 91 VAL H H 1 7.069 0.004 . 1 . . . . . 91 VAL H . 27190 1 429 . 1 . 1 91 91 VAL C C 13 176.629 0.011 . 1 . . . . . 91 VAL C . 27190 1 430 . 1 . 1 91 91 VAL CA C 13 65.389 0.034 . 1 . . . . . 91 VAL CA . 27190 1 431 . 1 . 1 91 91 VAL CB C 13 31.361 0.054 . 1 . . . . . 91 VAL CB . 27190 1 432 . 1 . 1 91 91 VAL N N 15 118.671 0.068 . 1 . . . . . 91 VAL N . 27190 1 433 . 1 . 1 92 92 PHE H H 1 7.311 0.003 . 1 . . . . . 92 PHE H . 27190 1 434 . 1 . 1 92 92 PHE C C 13 174.440 0.048 . 1 . . . . . 92 PHE C . 27190 1 435 . 1 . 1 92 92 PHE CA C 13 58.258 0.073 . 1 . . . . . 92 PHE CA . 27190 1 436 . 1 . 1 92 92 PHE CB C 13 39.385 0.007 . 1 . . . . . 92 PHE CB . 27190 1 437 . 1 . 1 92 92 PHE N N 15 116.551 0.040 . 1 . . . . . 92 PHE N . 27190 1 438 . 1 . 1 93 93 ASP H H 1 7.518 0.005 . 1 . . . . . 93 ASP H . 27190 1 439 . 1 . 1 93 93 ASP C C 13 176.284 0.048 . 1 . . . . . 93 ASP C . 27190 1 440 . 1 . 1 93 93 ASP CA C 13 52.552 0.066 . 1 . . . . . 93 ASP CA . 27190 1 441 . 1 . 1 93 93 ASP CB C 13 40.445 0.036 . 1 . . . . . 93 ASP CB . 27190 1 442 . 1 . 1 93 93 ASP N N 15 120.592 0.025 . 1 . . . . . 93 ASP N . 27190 1 443 . 1 . 1 94 94 LYS H H 1 8.409 0.004 . 1 . . . . . 94 LYS H . 27190 1 444 . 1 . 1 94 94 LYS C C 13 178.156 0.040 . 1 . . . . . 94 LYS C . 27190 1 445 . 1 . 1 94 94 LYS CA C 13 58.644 0.042 . 1 . . . . . 94 LYS CA . 27190 1 446 . 1 . 1 94 94 LYS CB C 13 32.522 0.057 . 1 . . . . . 94 LYS CB . 27190 1 447 . 1 . 1 94 94 LYS N N 15 125.146 0.025 . 1 . . . . . 94 LYS N . 27190 1 448 . 1 . 1 95 95 ASP H H 1 8.486 0.003 . 1 . . . . . 95 ASP H . 27190 1 449 . 1 . 1 95 95 ASP C C 13 176.972 0.003 . 1 . . . . . 95 ASP C . 27190 1 450 . 1 . 1 95 95 ASP CA C 13 55.167 0.052 . 1 . . . . . 95 ASP CA . 27190 1 451 . 1 . 1 95 95 ASP CB C 13 41.593 0.019 . 1 . . . . . 95 ASP CB . 27190 1 452 . 1 . 1 95 95 ASP N N 15 116.993 0.034 . 1 . . . . . 95 ASP N . 27190 1 453 . 1 . 1 96 96 GLY H H 1 8.287 0.004 . 1 . . . . . 96 GLY H . 27190 1 454 . 1 . 1 96 96 GLY C C 13 175.129 0.058 . 1 . . . . . 96 GLY C . 27190 1 455 . 1 . 1 96 96 GLY CA C 13 46.736 0.045 . 1 . . . . . 96 GLY CA . 27190 1 456 . 1 . 1 96 96 GLY N N 15 109.767 0.040 . 1 . . . . . 96 GLY N . 27190 1 457 . 1 . 1 97 97 ASN H H 1 8.790 0.006 . 1 . . . . . 97 ASN H . 27190 1 458 . 1 . 1 97 97 ASN C C 13 175.965 0.027 . 1 . . . . . 97 ASN C . 27190 1 459 . 1 . 1 97 97 ASN CA C 13 53.362 0.079 . 1 . . . . . 97 ASN CA . 27190 1 460 . 1 . 1 97 97 ASN CB C 13 39.657 0.077 . 1 . . . . . 97 ASN CB . 27190 1 461 . 1 . 1 97 97 ASN N N 15 118.032 0.037 . 1 . . . . . 97 ASN N . 27190 1 462 . 1 . 1 98 98 GLY H H 1 9.672 0.004 . 1 . . . . . 98 GLY H . 27190 1 463 . 1 . 1 98 98 GLY C C 13 172.633 0.042 . 1 . . . . . 98 GLY C . 27190 1 464 . 1 . 1 98 98 GLY CA C 13 45.269 0.020 . 1 . . . . . 98 GLY CA . 27190 1 465 . 1 . 1 98 98 GLY N N 15 109.760 0.035 . 1 . . . . . 98 GLY N . 27190 1 466 . 1 . 1 99 99 TYR H H 1 7.963 0.003 . 1 . . . . . 99 TYR H . 27190 1 467 . 1 . 1 99 99 TYR C C 13 174.905 0.004 . 1 . . . . . 99 TYR C . 27190 1 468 . 1 . 1 99 99 TYR CA C 13 56.098 0.068 . 1 . . . . . 99 TYR CA . 27190 1 469 . 1 . 1 99 99 TYR CB C 13 42.112 0.093 . 1 . . . . . 99 TYR CB . 27190 1 470 . 1 . 1 99 99 TYR N N 15 117.638 0.043 . 1 . . . . . 99 TYR N . 27190 1 471 . 1 . 1 100 100 ILE H H 1 8.711 0.005 . 1 . . . . . 100 ILE H . 27190 1 472 . 1 . 1 100 100 ILE C C 13 174.507 0.045 . 1 . . . . . 100 ILE C . 27190 1 473 . 1 . 1 100 100 ILE CA C 13 59.477 0.064 . 1 . . . . . 100 ILE CA . 27190 1 474 . 1 . 1 100 100 ILE CB C 13 43.145 0.023 . 1 . . . . . 100 ILE CB . 27190 1 475 . 1 . 1 100 100 ILE N N 15 116.596 0.042 . 1 . . . . . 100 ILE N . 27190 1 476 . 1 . 1 101 101 SER H H 1 9.128 0.005 . 1 . . . . . 101 SER H . 27190 1 477 . 1 . 1 101 101 SER C C 13 175.529 0.001 . 1 . . . . . 101 SER C . 27190 1 478 . 1 . 1 101 101 SER CA C 13 58.425 0.101 . 1 . . . . . 101 SER CA . 27190 1 479 . 1 . 1 101 101 SER CB C 13 63.949 0.072 . 1 . . . . . 101 SER CB . 27190 1 480 . 1 . 1 101 101 SER N N 15 122.928 0.021 . 1 . . . . . 101 SER N . 27190 1 481 . 1 . 1 102 102 ALA H H 1 9.002 0.003 . 1 . . . . . 102 ALA H . 27190 1 482 . 1 . 1 102 102 ALA C C 13 179.201 0.044 . 1 . . . . . 102 ALA C . 27190 1 483 . 1 . 1 102 102 ALA CA C 13 55.497 0.085 . 1 . . . . . 102 ALA CA . 27190 1 484 . 1 . 1 102 102 ALA CB C 13 18.109 0.080 . 1 . . . . . 102 ALA CB . 27190 1 485 . 1 . 1 102 102 ALA N N 15 127.908 0.042 . 1 . . . . . 102 ALA N . 27190 1 486 . 1 . 1 103 103 ALA H H 1 8.430 0.002 . 1 . . . . . 103 ALA H . 27190 1 487 . 1 . 1 103 103 ALA C C 13 180.909 0.065 . 1 . . . . . 103 ALA C . 27190 1 488 . 1 . 1 103 103 ALA CA C 13 55.180 0.045 . 1 . . . . . 103 ALA CA . 27190 1 489 . 1 . 1 103 103 ALA CB C 13 18.297 0.028 . 1 . . . . . 103 ALA CB . 27190 1 490 . 1 . 1 103 103 ALA N N 15 119.556 0.020 . 1 . . . . . 103 ALA N . 27190 1 491 . 1 . 1 104 104 GLU H H 1 7.875 0.003 . 1 . . . . . 104 GLU H . 27190 1 492 . 1 . 1 104 104 GLU C C 13 178.500 0.035 . 1 . . . . . 104 GLU C . 27190 1 493 . 1 . 1 104 104 GLU CA C 13 58.973 0.066 . 1 . . . . . 104 GLU CA . 27190 1 494 . 1 . 1 104 104 GLU CB C 13 29.505 0.037 . 1 . . . . . 104 GLU CB . 27190 1 495 . 1 . 1 104 104 GLU N N 15 120.979 0.052 . 1 . . . . . 104 GLU N . 27190 1 496 . 1 . 1 105 105 LEU H H 1 8.524 0.003 . 1 . . . . . 105 LEU H . 27190 1 497 . 1 . 1 105 105 LEU C C 13 177.804 0.025 . 1 . . . . . 105 LEU C . 27190 1 498 . 1 . 1 105 105 LEU CA C 13 57.725 0.041 . 1 . . . . . 105 LEU CA . 27190 1 499 . 1 . 1 105 105 LEU CB C 13 41.553 0.114 . 1 . . . . . 105 LEU CB . 27190 1 500 . 1 . 1 105 105 LEU N N 15 120.141 0.033 . 1 . . . . . 105 LEU N . 27190 1 501 . 1 . 1 106 106 ARG H H 1 8.398 0.002 . 1 . . . . . 106 ARG H . 27190 1 502 . 1 . 1 106 106 ARG C C 13 178.448 0.043 . 1 . . . . . 106 ARG C . 27190 1 503 . 1 . 1 106 106 ARG CA C 13 59.818 0.042 . 1 . . . . . 106 ARG CA . 27190 1 504 . 1 . 1 106 106 ARG CB C 13 30.300 0.027 . 1 . . . . . 106 ARG CB . 27190 1 505 . 1 . 1 106 106 ARG N N 15 117.351 0.053 . 1 . . . . . 106 ARG N . 27190 1 506 . 1 . 1 107 107 HIS H H 1 7.761 0.003 . 1 . . . . . 107 HIS H . 27190 1 507 . 1 . 1 107 107 HIS C C 13 177.950 0.032 . 1 . . . . . 107 HIS C . 27190 1 508 . 1 . 1 107 107 HIS CA C 13 60.649 0.068 . 1 . . . . . 107 HIS CA . 27190 1 509 . 1 . 1 107 107 HIS CB C 13 30.245 0.000 . 1 . . . . . 107 HIS CB . 27190 1 510 . 1 . 1 107 107 HIS N N 15 118.762 0.054 . 1 . . . . . 107 HIS N . 27190 1 511 . 1 . 1 108 108 VAL H H 1 8.611 0.006 . 1 . . . . . 108 VAL H . 27190 1 512 . 1 . 1 108 108 VAL C C 13 177.827 0.019 . 1 . . . . . 108 VAL C . 27190 1 513 . 1 . 1 108 108 VAL CA C 13 66.410 0.016 . 1 . . . . . 108 VAL CA . 27190 1 514 . 1 . 1 108 108 VAL CB C 13 31.852 0.053 . 1 . . . . . 108 VAL CB . 27190 1 515 . 1 . 1 108 108 VAL N N 15 117.795 0.032 . 1 . . . . . 108 VAL N . 27190 1 516 . 1 . 1 109 109 MET H H 1 8.148 0.004 . 1 . . . . . 109 MET H . 27190 1 517 . 1 . 1 109 109 MET C C 13 178.284 0.003 . 1 . . . . . 109 MET C . 27190 1 518 . 1 . 1 109 109 MET CA C 13 56.382 0.055 . 1 . . . . . 109 MET CA . 27190 1 519 . 1 . 1 109 109 MET CB C 13 36.747 0.005 . 1 . . . . . 109 MET CB . 27190 1 520 . 1 . 1 109 109 MET N N 15 112.347 0.031 . 1 . . . . . 109 MET N . 27190 1 521 . 1 . 1 110 110 THR H H 1 7.463 0.004 . 1 . . . . . 110 THR H . 27190 1 522 . 1 . 1 110 110 THR C C 13 174.741 0.000 . 1 . . . . . 110 THR C . 27190 1 523 . 1 . 1 110 110 THR CA C 13 61.877 0.018 . 1 . . . . . 110 THR CA . 27190 1 524 . 1 . 1 110 110 THR CB C 13 70.747 0.097 . 1 . . . . . 110 THR CB . 27190 1 525 . 1 . 1 110 110 THR N N 15 104.119 0.038 . 1 . . . . . 110 THR N . 27190 1 526 . 1 . 1 111 111 ASN H H 1 7.390 0.003 . 1 . . . . . 111 ASN H . 27190 1 527 . 1 . 1 111 111 ASN C C 13 173.486 0.003 . 1 . . . . . 111 ASN C . 27190 1 528 . 1 . 1 111 111 ASN CA C 13 54.808 0.070 . 1 . . . . . 111 ASN CA . 27190 1 529 . 1 . 1 111 111 ASN CB C 13 41.245 0.021 . 1 . . . . . 111 ASN CB . 27190 1 530 . 1 . 1 111 111 ASN N N 15 116.658 0.039 . 1 . . . . . 111 ASN N . 27190 1 531 . 1 . 1 112 112 LEU H H 1 7.633 0.003 . 1 . . . . . 112 LEU H . 27190 1 532 . 1 . 1 112 112 LEU C C 13 176.667 0.014 . 1 . . . . . 112 LEU C . 27190 1 533 . 1 . 1 112 112 LEU CA C 13 53.612 0.124 . 1 . . . . . 112 LEU CA . 27190 1 534 . 1 . 1 112 112 LEU CB C 13 45.903 0.020 . 1 . . . . . 112 LEU CB . 27190 1 535 . 1 . 1 112 112 LEU N N 15 120.099 0.028 . 1 . . . . . 112 LEU N . 27190 1 536 . 1 . 1 113 113 GLY H H 1 8.981 0.003 . 1 . . . . . 113 GLY H . 27190 1 537 . 1 . 1 113 113 GLY C C 13 176.094 0.039 . 1 . . . . . 113 GLY C . 27190 1 538 . 1 . 1 113 113 GLY CA C 13 47.731 0.178 . 1 . . . . . 113 GLY CA . 27190 1 539 . 1 . 1 113 113 GLY N N 15 106.302 0.023 . 1 . . . . . 113 GLY N . 27190 1 540 . 1 . 1 114 114 GLU H H 1 9.409 0.008 . 1 . . . . . 114 GLU H . 27190 1 541 . 1 . 1 114 114 GLU C C 13 175.370 0.028 . 1 . . . . . 114 GLU C . 27190 1 542 . 1 . 1 114 114 GLU CA C 13 54.835 0.098 . 1 . . . . . 114 GLU CA . 27190 1 543 . 1 . 1 114 114 GLU CB C 13 26.523 0.032 . 1 . . . . . 114 GLU CB . 27190 1 544 . 1 . 1 114 114 GLU N N 15 129.927 0.040 . 1 . . . . . 114 GLU N . 27190 1 545 . 1 . 1 115 115 LYS H H 1 6.793 0.004 . 1 . . . . . 115 LYS H . 27190 1 546 . 1 . 1 115 115 LYS C C 13 177.801 0.034 . 1 . . . . . 115 LYS C . 27190 1 547 . 1 . 1 115 115 LYS CA C 13 57.873 0.043 . 1 . . . . . 115 LYS CA . 27190 1 548 . 1 . 1 115 115 LYS CB C 13 33.744 0.049 . 1 . . . . . 115 LYS CB . 27190 1 549 . 1 . 1 115 115 LYS N N 15 115.612 0.035 . 1 . . . . . 115 LYS N . 27190 1 550 . 1 . 1 116 116 LEU H H 1 8.472 0.002 . 1 . . . . . 116 LEU H . 27190 1 551 . 1 . 1 116 116 LEU C C 13 177.607 0.063 . 1 . . . . . 116 LEU C . 27190 1 552 . 1 . 1 116 116 LEU CA C 13 54.413 0.087 . 1 . . . . . 116 LEU CA . 27190 1 553 . 1 . 1 116 116 LEU CB C 13 41.852 0.051 . 1 . . . . . 116 LEU CB . 27190 1 554 . 1 . 1 116 116 LEU N N 15 122.330 0.044 . 1 . . . . . 116 LEU N . 27190 1 555 . 1 . 1 117 117 THR H H 1 9.380 0.004 . 1 . . . . . 117 THR H . 27190 1 556 . 1 . 1 117 117 THR C C 13 175.221 0.003 . 1 . . . . . 117 THR C . 27190 1 557 . 1 . 1 117 117 THR CA C 13 60.726 0.034 . 1 . . . . . 117 THR CA . 27190 1 558 . 1 . 1 117 117 THR CB C 13 71.156 0.076 . 1 . . . . . 117 THR CB . 27190 1 559 . 1 . 1 117 117 THR N N 15 112.400 0.014 . 1 . . . . . 117 THR N . 27190 1 560 . 1 . 1 118 118 ASP H H 1 8.729 0.004 . 1 . . . . . 118 ASP H . 27190 1 561 . 1 . 1 118 118 ASP C C 13 177.649 0.026 . 1 . . . . . 118 ASP C . 27190 1 562 . 1 . 1 118 118 ASP CA C 13 57.844 0.040 . 1 . . . . . 118 ASP CA . 27190 1 563 . 1 . 1 118 118 ASP CB C 13 40.170 0.075 . 1 . . . . . 118 ASP CB . 27190 1 564 . 1 . 1 118 118 ASP N N 15 120.437 0.028 . 1 . . . . . 118 ASP N . 27190 1 565 . 1 . 1 119 119 GLU H H 1 8.359 0.003 . 1 . . . . . 119 GLU H . 27190 1 566 . 1 . 1 119 119 GLU C C 13 180.105 0.012 . 1 . . . . . 119 GLU C . 27190 1 567 . 1 . 1 119 119 GLU CA C 13 59.857 0.052 . 1 . . . . . 119 GLU CA . 27190 1 568 . 1 . 1 119 119 GLU CB C 13 29.625 0.034 . 1 . . . . . 119 GLU CB . 27190 1 569 . 1 . 1 119 119 GLU N N 15 117.184 0.032 . 1 . . . . . 119 GLU N . 27190 1 570 . 1 . 1 120 120 GLU H H 1 7.826 0.003 . 1 . . . . . 120 GLU H . 27190 1 571 . 1 . 1 120 120 GLU C C 13 178.673 0.012 . 1 . . . . . 120 GLU C . 27190 1 572 . 1 . 1 120 120 GLU CA C 13 59.495 0.032 . 1 . . . . . 120 GLU CA . 27190 1 573 . 1 . 1 120 120 GLU CB C 13 32.372 0.118 . 1 . . . . . 120 GLU CB . 27190 1 574 . 1 . 1 120 120 GLU N N 15 119.600 0.022 . 1 . . . . . 120 GLU N . 27190 1 575 . 1 . 1 121 121 VAL H H 1 8.757 0.004 . 1 . . . . . 121 VAL H . 27190 1 576 . 1 . 1 121 121 VAL C C 13 176.358 0.014 . 1 . . . . . 121 VAL C . 27190 1 577 . 1 . 1 121 121 VAL CA C 13 64.566 0.031 . 1 . . . . . 121 VAL CA . 27190 1 578 . 1 . 1 121 121 VAL CB C 13 31.135 0.039 . 1 . . . . . 121 VAL CB . 27190 1 579 . 1 . 1 121 121 VAL N N 15 118.513 0.023 . 1 . . . . . 121 VAL N . 27190 1 580 . 1 . 1 122 122 ASP H H 1 8.271 0.002 . 1 . . . . . 122 ASP H . 27190 1 581 . 1 . 1 122 122 ASP C C 13 179.778 0.024 . 1 . . . . . 122 ASP C . 27190 1 582 . 1 . 1 122 122 ASP CA C 13 57.506 0.062 . 1 . . . . . 122 ASP CA . 27190 1 583 . 1 . 1 122 122 ASP CB C 13 39.958 0.033 . 1 . . . . . 122 ASP CB . 27190 1 584 . 1 . 1 122 122 ASP N N 15 123.344 0.053 . 1 . . . . . 122 ASP N . 27190 1 585 . 1 . 1 123 123 GLU H H 1 7.433 0.005 . 1 . . . . . 123 GLU H . 27190 1 586 . 1 . 1 123 123 GLU C C 13 177.559 0.011 . 1 . . . . . 123 GLU C . 27190 1 587 . 1 . 1 123 123 GLU CA C 13 59.011 0.019 . 1 . . . . . 123 GLU CA . 27190 1 588 . 1 . 1 123 123 GLU CB C 13 28.868 0.001 . 1 . . . . . 123 GLU CB . 27190 1 589 . 1 . 1 123 123 GLU N N 15 120.938 0.046 . 1 . . . . . 123 GLU N . 27190 1 590 . 1 . 1 124 124 MET H H 1 8.101 0.003 . 1 . . . . . 124 MET H . 27190 1 591 . 1 . 1 124 124 MET C C 13 177.839 0.006 . 1 . . . . . 124 MET C . 27190 1 592 . 1 . 1 124 124 MET CA C 13 60.248 0.061 . 1 . . . . . 124 MET CA . 27190 1 593 . 1 . 1 124 124 MET CB C 13 33.658 0.016 . 1 . . . . . 124 MET CB . 27190 1 594 . 1 . 1 124 124 MET N N 15 121.596 0.019 . 1 . . . . . 124 MET N . 27190 1 595 . 1 . 1 125 125 ILE H H 1 8.314 0.006 . 1 . . . . . 125 ILE H . 27190 1 596 . 1 . 1 125 125 ILE C C 13 177.931 0.004 . 1 . . . . . 125 ILE C . 27190 1 597 . 1 . 1 125 125 ILE CA C 13 62.742 0.060 . 1 . . . . . 125 ILE CA . 27190 1 598 . 1 . 1 125 125 ILE CB C 13 35.683 0.028 . 1 . . . . . 125 ILE CB . 27190 1 599 . 1 . 1 125 125 ILE N N 15 116.179 0.012 . 1 . . . . . 125 ILE N . 27190 1 600 . 1 . 1 126 126 ARG H H 1 7.786 0.004 . 1 . . . . . 126 ARG H . 27190 1 601 . 1 . 1 126 126 ARG C C 13 178.857 0.000 . 1 . . . . . 126 ARG C . 27190 1 602 . 1 . 1 126 126 ARG CA C 13 59.580 0.000 . 1 . . . . . 126 ARG CA . 27190 1 603 . 1 . 1 126 126 ARG CB C 13 30.315 0.000 . 1 . . . . . 126 ARG CB . 27190 1 604 . 1 . 1 126 126 ARG N N 15 120.057 0.077 . 1 . . . . . 126 ARG N . 27190 1 605 . 1 . 1 128 128 ALA C C 13 177.134 0.000 . 1 . . . . . 128 ALA C . 27190 1 606 . 1 . 1 128 128 ALA CA C 13 53.055 0.000 . 1 . . . . . 128 ALA CA . 27190 1 607 . 1 . 1 128 128 ALA CB C 13 19.433 0.000 . 1 . . . . . 128 ALA CB . 27190 1 608 . 1 . 1 129 129 ASP H H 1 8.312 0.005 . 1 . . . . . 129 ASP H . 27190 1 609 . 1 . 1 129 129 ASP C C 13 176.343 0.045 . 1 . . . . . 129 ASP C . 27190 1 610 . 1 . 1 129 129 ASP CA C 13 52.926 0.090 . 1 . . . . . 129 ASP CA . 27190 1 611 . 1 . 1 129 129 ASP CB C 13 39.679 0.000 . 1 . . . . . 129 ASP CB . 27190 1 612 . 1 . 1 129 129 ASP N N 15 118.951 0.020 . 1 . . . . . 129 ASP N . 27190 1 613 . 1 . 1 130 130 ILE H H 1 7.853 0.005 . 1 . . . . . 130 ILE H . 27190 1 614 . 1 . 1 130 130 ILE CA C 13 62.710 0.000 . 1 . . . . . 130 ILE CA . 27190 1 615 . 1 . 1 130 130 ILE CB C 13 39.334 0.000 . 1 . . . . . 130 ILE CB . 27190 1 616 . 1 . 1 130 130 ILE N N 15 121.792 0.056 . 1 . . . . . 130 ILE N . 27190 1 617 . 1 . 1 132 132 GLY C C 13 174.704 0.000 . 1 . . . . . 132 GLY C . 27190 1 618 . 1 . 1 132 132 GLY CA C 13 46.749 0.009 . 1 . . . . . 132 GLY CA . 27190 1 619 . 1 . 1 133 133 ASP H H 1 8.384 0.005 . 1 . . . . . 133 ASP H . 27190 1 620 . 1 . 1 133 133 ASP C C 13 177.356 0.000 . 1 . . . . . 133 ASP C . 27190 1 621 . 1 . 1 133 133 ASP CA C 13 53.731 0.061 . 1 . . . . . 133 ASP CA . 27190 1 622 . 1 . 1 133 133 ASP CB C 13 41.497 0.000 . 1 . . . . . 133 ASP CB . 27190 1 623 . 1 . 1 133 133 ASP N N 15 119.537 0.031 . 1 . . . . . 133 ASP N . 27190 1 624 . 1 . 1 134 134 GLY C C 13 174.171 0.000 . 1 . . . . . 134 GLY C . 27190 1 625 . 1 . 1 134 134 GLY CA C 13 46.078 0.000 . 1 . . . . . 134 GLY CA . 27190 1 626 . 1 . 1 135 135 GLN H H 1 8.257 0.004 . 1 . . . . . 135 GLN H . 27190 1 627 . 1 . 1 135 135 GLN C C 13 174.156 0.000 . 1 . . . . . 135 GLN C . 27190 1 628 . 1 . 1 135 135 GLN CA C 13 54.718 0.013 . 1 . . . . . 135 GLN CA . 27190 1 629 . 1 . 1 135 135 GLN CB C 13 30.357 0.000 . 1 . . . . . 135 GLN CB . 27190 1 630 . 1 . 1 135 135 GLN N N 15 120.630 0.048 . 1 . . . . . 135 GLN N . 27190 1 631 . 1 . 1 136 136 VAL C C 13 175.083 0.000 . 1 . . . . . 136 VAL C . 27190 1 632 . 1 . 1 136 136 VAL CA C 13 61.778 0.061 . 1 . . . . . 136 VAL CA . 27190 1 633 . 1 . 1 137 137 ASN H H 1 9.090 0.004 . 1 . . . . . 137 ASN H . 27190 1 634 . 1 . 1 137 137 ASN C C 13 176.003 0.006 . 1 . . . . . 137 ASN C . 27190 1 635 . 1 . 1 137 137 ASN CA C 13 52.017 0.076 . 1 . . . . . 137 ASN CA . 27190 1 636 . 1 . 1 137 137 ASN CB C 13 37.228 0.134 . 1 . . . . . 137 ASN CB . 27190 1 637 . 1 . 1 137 137 ASN N N 15 127.188 0.048 . 1 . . . . . 137 ASN N . 27190 1 638 . 1 . 1 138 138 TYR H H 1 7.272 0.006 . 1 . . . . . 138 TYR H . 27190 1 639 . 1 . 1 138 138 TYR C C 13 176.248 0.077 . 1 . . . . . 138 TYR C . 27190 1 640 . 1 . 1 138 138 TYR CA C 13 59.448 0.032 . 1 . . . . . 138 TYR CA . 27190 1 641 . 1 . 1 138 138 TYR CB C 13 37.011 0.175 . 1 . . . . . 138 TYR CB . 27190 1 642 . 1 . 1 138 138 TYR N N 15 122.936 0.024 . 1 . . . . . 138 TYR N . 27190 1 643 . 1 . 1 139 139 GLU H H 1 8.190 0.003 . 1 . . . . . 139 GLU H . 27190 1 644 . 1 . 1 139 139 GLU C C 13 179.135 0.019 . 1 . . . . . 139 GLU C . 27190 1 645 . 1 . 1 139 139 GLU CA C 13 59.974 0.042 . 1 . . . . . 139 GLU CA . 27190 1 646 . 1 . 1 139 139 GLU CB C 13 28.258 0.073 . 1 . . . . . 139 GLU CB . 27190 1 647 . 1 . 1 139 139 GLU N N 15 126.149 0.052 . 1 . . . . . 139 GLU N . 27190 1 648 . 1 . 1 140 140 GLU H H 1 7.319 0.004 . 1 . . . . . 140 GLU H . 27190 1 649 . 1 . 1 140 140 GLU C C 13 179.266 0.000 . 1 . . . . . 140 GLU C . 27190 1 650 . 1 . 1 140 140 GLU CA C 13 58.784 0.056 . 1 . . . . . 140 GLU CA . 27190 1 651 . 1 . 1 140 140 GLU CB C 13 29.432 0.000 . 1 . . . . . 140 GLU CB . 27190 1 652 . 1 . 1 140 140 GLU N N 15 118.129 0.016 . 1 . . . . . 140 GLU N . 27190 1 653 . 1 . 1 141 141 PHE C C 13 177.516 0.008 . 1 . . . . . 141 PHE C . 27190 1 654 . 1 . 1 141 141 PHE CA C 13 60.110 0.000 . 1 . . . . . 141 PHE CA . 27190 1 655 . 1 . 1 141 141 PHE CB C 13 39.362 0.007 . 1 . . . . . 141 PHE CB . 27190 1 656 . 1 . 1 142 142 VAL H H 1 8.567 0.003 . 1 . . . . . 142 VAL H . 27190 1 657 . 1 . 1 142 142 VAL C C 13 178.582 0.068 . 1 . . . . . 142 VAL C . 27190 1 658 . 1 . 1 142 142 VAL CA C 13 67.413 0.070 . 1 . . . . . 142 VAL CA . 27190 1 659 . 1 . 1 142 142 VAL CB C 13 31.395 0.032 . 1 . . . . . 142 VAL CB . 27190 1 660 . 1 . 1 142 142 VAL N N 15 119.098 0.045 . 1 . . . . . 142 VAL N . 27190 1 661 . 1 . 1 143 143 GLN H H 1 7.603 0.007 . 1 . . . . . 143 GLN H . 27190 1 662 . 1 . 1 143 143 GLN C C 13 177.921 0.021 . 1 . . . . . 143 GLN C . 27190 1 663 . 1 . 1 143 143 GLN CA C 13 58.846 0.051 . 1 . . . . . 143 GLN CA . 27190 1 664 . 1 . 1 143 143 GLN CB C 13 27.996 0.023 . 1 . . . . . 143 GLN CB . 27190 1 665 . 1 . 1 143 143 GLN N N 15 118.551 0.027 . 1 . . . . . 143 GLN N . 27190 1 666 . 1 . 1 144 144 MET H H 1 7.691 0.003 . 1 . . . . . 144 MET H . 27190 1 667 . 1 . 1 144 144 MET C C 13 178.760 0.036 . 1 . . . . . 144 MET C . 27190 1 668 . 1 . 1 144 144 MET CA C 13 58.854 0.021 . 1 . . . . . 144 MET CA . 27190 1 669 . 1 . 1 144 144 MET CB C 13 31.721 0.050 . 1 . . . . . 144 MET CB . 27190 1 670 . 1 . 1 144 144 MET N N 15 118.913 0.018 . 1 . . . . . 144 MET N . 27190 1 671 . 1 . 1 145 145 MET H H 1 7.982 0.005 . 1 . . . . . 145 MET H . 27190 1 672 . 1 . 1 145 145 MET C C 13 176.939 0.020 . 1 . . . . . 145 MET C . 27190 1 673 . 1 . 1 145 145 MET CA C 13 58.427 0.059 . 1 . . . . . 145 MET CA . 27190 1 674 . 1 . 1 145 145 MET CB C 13 34.136 0.032 . 1 . . . . . 145 MET CB . 27190 1 675 . 1 . 1 145 145 MET N N 15 115.221 0.024 . 1 . . . . . 145 MET N . 27190 1 676 . 1 . 1 146 146 THR H H 1 7.588 0.003 . 1 . . . . . 146 THR H . 27190 1 677 . 1 . 1 146 146 THR C C 13 174.344 0.002 . 1 . . . . . 146 THR C . 27190 1 678 . 1 . 1 146 146 THR CA C 13 61.869 0.045 . 1 . . . . . 146 THR CA . 27190 1 679 . 1 . 1 146 146 THR CB C 13 69.768 0.038 . 1 . . . . . 146 THR CB . 27190 1 680 . 1 . 1 146 146 THR N N 15 108.362 0.026 . 1 . . . . . 146 THR N . 27190 1 681 . 1 . 1 147 147 ALA H H 1 7.340 0.003 . 1 . . . . . 147 ALA H . 27190 1 682 . 1 . 1 147 147 ALA C C 13 177.115 0.013 . 1 . . . . . 147 ALA C . 27190 1 683 . 1 . 1 147 147 ALA CA C 13 53.314 0.072 . 1 . . . . . 147 ALA CA . 27190 1 684 . 1 . 1 147 147 ALA CB C 13 19.260 0.037 . 1 . . . . . 147 ALA CB . 27190 1 685 . 1 . 1 147 147 ALA N N 15 126.352 0.014 . 1 . . . . . 147 ALA N . 27190 1 686 . 1 . 1 148 148 LYS H H 1 8.103 0.002 . 1 . . . . . 148 LYS H . 27190 1 687 . 1 . 1 148 148 LYS C C 13 181.669 0.000 . 1 . . . . . 148 LYS C . 27190 1 688 . 1 . 1 148 148 LYS CA C 13 57.932 0.028 . 1 . . . . . 148 LYS CA . 27190 1 689 . 1 . 1 148 148 LYS CB C 13 33.655 0.000 . 1 . . . . . 148 LYS CB . 27190 1 690 . 1 . 1 148 148 LYS N N 15 126.343 0.015 . 1 . . . . . 148 LYS N . 27190 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 27190 _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' . . . 27190 2 2 '3D HNCACB' . . . 27190 2 3 '3D CBCA(CO)NH' . . . 27190 2 4 '3D HNCA' . . . 27190 2 5 '3D HNCO' . . . 27190 2 6 '3D HN(CA)CO' . . . 27190 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 . . 27190 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 3 3 GLY C C 13 174.458 0.000 . 1 . . . . . -2 GLY C . 27190 2 2 . 2 . 2 3 3 GLY CA C 13 45.357 0.050 . 1 . . . . . -2 GLY CA . 27190 2 3 . 2 . 2 4 4 SER H H 1 8.178 0.004 . 1 . . . . . -1 SER H . 27190 2 4 . 2 . 2 4 4 SER C C 13 175.220 0.072 . 1 . . . . . -1 SER C . 27190 2 5 . 2 . 2 4 4 SER CA C 13 58.915 0.063 . 1 . . . . . -1 SER CA . 27190 2 6 . 2 . 2 4 4 SER CB C 13 63.740 0.057 . 1 . . . . . -1 SER CB . 27190 2 7 . 2 . 2 4 4 SER N N 15 115.942 0.034 . 1 . . . . . -1 SER N . 27190 2 8 . 2 . 2 5 5 LYS H H 1 8.459 0.004 . 1 . . . . . 1911 LYS H . 27190 2 9 . 2 . 2 5 5 LYS C C 13 177.120 0.018 . 1 . . . . . 1911 LYS C . 27190 2 10 . 2 . 2 5 5 LYS CA C 13 57.382 0.069 . 1 . . . . . 1911 LYS CA . 27190 2 11 . 2 . 2 5 5 LYS CB C 13 32.542 0.083 . 1 . . . . . 1911 LYS CB . 27190 2 12 . 2 . 2 5 5 LYS N N 15 124.090 0.029 . 1 . . . . . 1911 LYS N . 27190 2 13 . 2 . 2 6 6 ARG H H 1 8.185 0.003 . 1 . . . . . 1912 ARG H . 27190 2 14 . 2 . 2 6 6 ARG C C 13 177.460 0.032 . 1 . . . . . 1912 ARG C . 27190 2 15 . 2 . 2 6 6 ARG CA C 13 57.212 0.139 . 1 . . . . . 1912 ARG CA . 27190 2 16 . 2 . 2 6 6 ARG CB C 13 30.375 0.001 . 1 . . . . . 1912 ARG CB . 27190 2 17 . 2 . 2 6 6 ARG N N 15 120.760 0.060 . 1 . . . . . 1912 ARG N . 27190 2 18 . 2 . 2 7 7 LYS H H 1 8.270 0.008 . 1 . . . . . 1913 LYS H . 27190 2 19 . 2 . 2 7 7 LYS C C 13 177.889 0.083 . 1 . . . . . 1913 LYS C . 27190 2 20 . 2 . 2 7 7 LYS CA C 13 57.805 0.117 . 1 . . . . . 1913 LYS CA . 27190 2 21 . 2 . 2 7 7 LYS CB C 13 32.384 0.015 . 1 . . . . . 1913 LYS CB . 27190 2 22 . 2 . 2 7 7 LYS N N 15 121.255 0.050 . 1 . . . . . 1913 LYS N . 27190 2 23 . 2 . 2 8 8 GLN H H 1 8.320 0.003 . 1 . . . . . 1914 GLN H . 27190 2 24 . 2 . 2 8 8 GLN C C 13 178.860 0.006 . 1 . . . . . 1914 GLN C . 27190 2 25 . 2 . 2 8 8 GLN CA C 13 58.360 0.025 . 1 . . . . . 1914 GLN CA . 27190 2 26 . 2 . 2 8 8 GLN CB C 13 28.588 0.161 . 1 . . . . . 1914 GLN CB . 27190 2 27 . 2 . 2 8 8 GLN N N 15 119.769 0.041 . 1 . . . . . 1914 GLN N . 27190 2 28 . 2 . 2 9 9 GLU H H 1 8.878 0.012 . 1 . . . . . 1915 GLU H . 27190 2 29 . 2 . 2 9 9 GLU C C 13 177.673 0.029 . 1 . . . . . 1915 GLU C . 27190 2 30 . 2 . 2 9 9 GLU CA C 13 60.539 0.056 . 1 . . . . . 1915 GLU CA . 27190 2 31 . 2 . 2 9 9 GLU CB C 13 29.246 0.000 . 1 . . . . . 1915 GLU CB . 27190 2 32 . 2 . 2 9 9 GLU N N 15 121.038 0.044 . 1 . . . . . 1915 GLU N . 27190 2 33 . 2 . 2 10 10 GLU H H 1 7.989 0.004 . 1 . . . . . 1916 GLU H . 27190 2 34 . 2 . 2 10 10 GLU C C 13 177.849 0.029 . 1 . . . . . 1916 GLU C . 27190 2 35 . 2 . 2 10 10 GLU CA C 13 60.548 0.048 . 1 . . . . . 1916 GLU CA . 27190 2 36 . 2 . 2 10 10 GLU CB C 13 29.671 0.026 . 1 . . . . . 1916 GLU CB . 27190 2 37 . 2 . 2 10 10 GLU N N 15 118.825 0.069 . 1 . . . . . 1916 GLU N . 27190 2 38 . 2 . 2 11 11 VAL H H 1 7.797 0.007 . 1 . . . . . 1917 VAL H . 27190 2 39 . 2 . 2 11 11 VAL C C 13 178.780 0.000 . 1 . . . . . 1917 VAL C . 27190 2 40 . 2 . 2 11 11 VAL CA C 13 65.914 0.042 . 1 . . . . . 1917 VAL CA . 27190 2 41 . 2 . 2 11 11 VAL CB C 13 32.133 0.018 . 1 . . . . . 1917 VAL CB . 27190 2 42 . 2 . 2 11 11 VAL N N 15 117.106 0.028 . 1 . . . . . 1917 VAL N . 27190 2 43 . 2 . 2 12 12 SER H H 1 7.987 0.005 . 1 . . . . . 1918 SER H . 27190 2 44 . 2 . 2 12 12 SER C C 13 174.926 0.000 . 1 . . . . . 1918 SER C . 27190 2 45 . 2 . 2 12 12 SER CA C 13 62.884 0.087 . 1 . . . . . 1918 SER CA . 27190 2 46 . 2 . 2 12 12 SER N N 15 116.156 0.018 . 1 . . . . . 1918 SER N . 27190 2 47 . 2 . 2 13 13 ALA H H 1 8.347 0.002 . 1 . . . . . 1919 ALA H . 27190 2 48 . 2 . 2 13 13 ALA C C 13 177.967 0.040 . 1 . . . . . 1919 ALA C . 27190 2 49 . 2 . 2 13 13 ALA CA C 13 56.220 0.069 . 1 . . . . . 1919 ALA CA . 27190 2 50 . 2 . 2 13 13 ALA CB C 13 17.674 0.036 . 1 . . . . . 1919 ALA CB . 27190 2 51 . 2 . 2 13 13 ALA N N 15 123.004 0.024 . 1 . . . . . 1919 ALA N . 27190 2 52 . 2 . 2 14 14 VAL H H 1 7.511 0.003 . 1 . . . . . 1920 VAL H . 27190 2 53 . 2 . 2 14 14 VAL C C 13 178.249 0.001 . 1 . . . . . 1920 VAL C . 27190 2 54 . 2 . 2 14 14 VAL CA C 13 66.012 0.027 . 1 . . . . . 1920 VAL CA . 27190 2 55 . 2 . 2 14 14 VAL CB C 13 31.497 0.140 . 1 . . . . . 1920 VAL CB . 27190 2 56 . 2 . 2 14 14 VAL N N 15 116.609 0.019 . 1 . . . . . 1920 VAL N . 27190 2 57 . 2 . 2 15 15 ILE H H 1 7.570 0.004 . 1 . . . . . 1921 ILE H . 27190 2 58 . 2 . 2 15 15 ILE C C 13 179.287 0.004 . 1 . . . . . 1921 ILE C . 27190 2 59 . 2 . 2 15 15 ILE CA C 13 65.548 0.031 . 1 . . . . . 1921 ILE CA . 27190 2 60 . 2 . 2 15 15 ILE CB C 13 38.162 0.080 . 1 . . . . . 1921 ILE CB . 27190 2 61 . 2 . 2 15 15 ILE N N 15 119.471 0.067 . 1 . . . . . 1921 ILE N . 27190 2 62 . 2 . 2 16 16 ILE H H 1 7.432 0.004 . 1 . . . . . 1922 ILE H . 27190 2 63 . 2 . 2 16 16 ILE C C 13 177.412 0.007 . 1 . . . . . 1922 ILE C . 27190 2 64 . 2 . 2 16 16 ILE CA C 13 66.188 0.034 . 1 . . . . . 1922 ILE CA . 27190 2 65 . 2 . 2 16 16 ILE CB C 13 38.810 0.144 . 1 . . . . . 1922 ILE CB . 27190 2 66 . 2 . 2 16 16 ILE N N 15 119.829 0.025 . 1 . . . . . 1922 ILE N . 27190 2 67 . 2 . 2 17 17 GLN H H 1 9.112 0.005 . 1 . . . . . 1923 GLN H . 27190 2 68 . 2 . 2 17 17 GLN C C 13 179.121 0.042 . 1 . . . . . 1923 GLN C . 27190 2 69 . 2 . 2 17 17 GLN CA C 13 60.253 0.036 . 1 . . . . . 1923 GLN CA . 27190 2 70 . 2 . 2 17 17 GLN CB C 13 26.868 0.051 . 1 . . . . . 1923 GLN CB . 27190 2 71 . 2 . 2 17 17 GLN N N 15 120.627 0.027 . 1 . . . . . 1923 GLN N . 27190 2 72 . 2 . 2 18 18 ARG H H 1 9.048 0.003 . 1 . . . . . 1924 ARG H . 27190 2 73 . 2 . 2 18 18 ARG C C 13 180.207 0.018 . 1 . . . . . 1924 ARG C . 27190 2 74 . 2 . 2 18 18 ARG CA C 13 60.088 0.051 . 1 . . . . . 1924 ARG CA . 27190 2 75 . 2 . 2 18 18 ARG CB C 13 30.150 0.060 . 1 . . . . . 1924 ARG CB . 27190 2 76 . 2 . 2 18 18 ARG N N 15 117.169 0.039 . 1 . . . . . 1924 ARG N . 27190 2 77 . 2 . 2 19 19 ALA H H 1 7.884 0.004 . 1 . . . . . 1925 ALA H . 27190 2 78 . 2 . 2 19 19 ALA C C 13 180.573 0.019 . 1 . . . . . 1925 ALA C . 27190 2 79 . 2 . 2 19 19 ALA CA C 13 55.244 0.079 . 1 . . . . . 1925 ALA CA . 27190 2 80 . 2 . 2 19 19 ALA CB C 13 18.618 0.041 . 1 . . . . . 1925 ALA CB . 27190 2 81 . 2 . 2 19 19 ALA N N 15 122.343 0.021 . 1 . . . . . 1925 ALA N . 27190 2 82 . 2 . 2 20 20 TYR H H 1 9.478 0.002 . 1 . . . . . 1926 TYR H . 27190 2 83 . 2 . 2 20 20 TYR C C 13 177.840 0.008 . 1 . . . . . 1926 TYR C . 27190 2 84 . 2 . 2 20 20 TYR CA C 13 63.421 0.031 . 1 . . . . . 1926 TYR CA . 27190 2 85 . 2 . 2 20 20 TYR CB C 13 38.466 0.089 . 1 . . . . . 1926 TYR CB . 27190 2 86 . 2 . 2 20 20 TYR N N 15 122.617 0.040 . 1 . . . . . 1926 TYR N . 27190 2 87 . 2 . 2 21 21 ARG H H 1 8.704 0.004 . 1 . . . . . 1927 ARG H . 27190 2 88 . 2 . 2 21 21 ARG C C 13 179.489 0.000 . 1 . . . . . 1927 ARG C . 27190 2 89 . 2 . 2 21 21 ARG CA C 13 61.317 0.044 . 1 . . . . . 1927 ARG CA . 27190 2 90 . 2 . 2 21 21 ARG CB C 13 29.624 0.094 . 1 . . . . . 1927 ARG CB . 27190 2 91 . 2 . 2 21 21 ARG N N 15 118.493 0.039 . 1 . . . . . 1927 ARG N . 27190 2 92 . 2 . 2 22 22 ARG H H 1 7.823 0.003 . 1 . . . . . 1928 ARG H . 27190 2 93 . 2 . 2 22 22 ARG C C 13 178.637 0.000 . 1 . . . . . 1928 ARG C . 27190 2 94 . 2 . 2 22 22 ARG CA C 13 60.075 0.065 . 1 . . . . . 1928 ARG CA . 27190 2 95 . 2 . 2 22 22 ARG CB C 13 30.237 0.056 . 1 . . . . . 1928 ARG CB . 27190 2 96 . 2 . 2 22 22 ARG N N 15 119.230 0.043 . 1 . . . . . 1928 ARG N . 27190 2 97 . 2 . 2 23 23 HIS H H 1 7.697 0.007 . 1 . . . . . 1929 HIS H . 27190 2 98 . 2 . 2 23 23 HIS C C 13 177.189 0.086 . 1 . . . . . 1929 HIS C . 27190 2 99 . 2 . 2 23 23 HIS CA C 13 59.100 0.035 . 1 . . . . . 1929 HIS CA . 27190 2 100 . 2 . 2 23 23 HIS CB C 13 28.665 0.000 . 1 . . . . . 1929 HIS CB . 27190 2 101 . 2 . 2 23 23 HIS N N 15 120.722 0.066 . 1 . . . . . 1929 HIS N . 27190 2 102 . 2 . 2 24 24 LEU H H 1 8.300 0.005 . 1 . . . . . 1930 LEU H . 27190 2 103 . 2 . 2 24 24 LEU C C 13 179.730 0.028 . 1 . . . . . 1930 LEU C . 27190 2 104 . 2 . 2 24 24 LEU CA C 13 57.512 0.067 . 1 . . . . . 1930 LEU CA . 27190 2 105 . 2 . 2 24 24 LEU CB C 13 41.920 0.008 . 1 . . . . . 1930 LEU CB . 27190 2 106 . 2 . 2 24 24 LEU N N 15 119.747 0.027 . 1 . . . . . 1930 LEU N . 27190 2 107 . 2 . 2 25 25 LEU H H 1 7.546 0.004 . 1 . . . . . 1931 LEU H . 27190 2 108 . 2 . 2 25 25 LEU C C 13 178.936 0.019 . 1 . . . . . 1931 LEU C . 27190 2 109 . 2 . 2 25 25 LEU CA C 13 57.166 0.026 . 1 . . . . . 1931 LEU CA . 27190 2 110 . 2 . 2 25 25 LEU CB C 13 42.016 0.086 . 1 . . . . . 1931 LEU CB . 27190 2 111 . 2 . 2 25 25 LEU N N 15 119.069 0.028 . 1 . . . . . 1931 LEU N . 27190 2 112 . 2 . 2 26 26 LYS H H 1 7.537 0.004 . 1 . . . . . 1932 LYS H . 27190 2 113 . 2 . 2 26 26 LYS C C 13 177.670 0.046 . 1 . . . . . 1932 LYS C . 27190 2 114 . 2 . 2 26 26 LYS CA C 13 57.828 0.038 . 1 . . . . . 1932 LYS CA . 27190 2 115 . 2 . 2 26 26 LYS CB C 13 32.526 0.063 . 1 . . . . . 1932 LYS CB . 27190 2 116 . 2 . 2 26 26 LYS N N 15 118.135 0.029 . 1 . . . . . 1932 LYS N . 27190 2 117 . 2 . 2 27 27 ARG H H 1 7.541 0.004 . 1 . . . . . 1933 ARG H . 27190 2 118 . 2 . 2 27 27 ARG C C 13 176.746 0.034 . 1 . . . . . 1933 ARG C . 27190 2 119 . 2 . 2 27 27 ARG CA C 13 57.042 0.057 . 1 . . . . . 1933 ARG CA . 27190 2 120 . 2 . 2 27 27 ARG CB C 13 30.432 0.024 . 1 . . . . . 1933 ARG CB . 27190 2 121 . 2 . 2 27 27 ARG N N 15 117.543 0.032 . 1 . . . . . 1933 ARG N . 27190 2 122 . 2 . 2 28 28 THR H H 1 7.861 0.004 . 1 . . . . . 1934 THR H . 27190 2 123 . 2 . 2 28 28 THR C C 13 174.513 0.031 . 1 . . . . . 1934 THR C . 27190 2 124 . 2 . 2 28 28 THR CA C 13 62.497 0.023 . 1 . . . . . 1934 THR CA . 27190 2 125 . 2 . 2 28 28 THR CB C 13 69.873 0.006 . 1 . . . . . 1934 THR CB . 27190 2 126 . 2 . 2 28 28 THR N N 15 113.766 0.030 . 1 . . . . . 1934 THR N . 27190 2 127 . 2 . 2 29 29 VAL H H 1 7.953 0.003 . 1 . . . . . 1935 VAL H . 27190 2 128 . 2 . 2 29 29 VAL C C 13 175.751 0.001 . 1 . . . . . 1935 VAL C . 27190 2 129 . 2 . 2 29 29 VAL CA C 13 62.469 0.020 . 1 . . . . . 1935 VAL CA . 27190 2 130 . 2 . 2 29 29 VAL CB C 13 32.609 0.042 . 1 . . . . . 1935 VAL CB . 27190 2 131 . 2 . 2 29 29 VAL N N 15 122.850 0.018 . 1 . . . . . 1935 VAL N . 27190 2 132 . 2 . 2 30 30 LYS H H 1 8.309 0.003 . 1 . . . . . 1936 LYS H . 27190 2 133 . 2 . 2 30 30 LYS C C 13 175.542 0.023 . 1 . . . . . 1936 LYS C . 27190 2 134 . 2 . 2 30 30 LYS CA C 13 56.300 0.044 . 1 . . . . . 1936 LYS CA . 27190 2 135 . 2 . 2 30 30 LYS CB C 13 32.985 0.021 . 1 . . . . . 1936 LYS CB . 27190 2 136 . 2 . 2 30 30 LYS N N 15 126.102 0.009 . 1 . . . . . 1936 LYS N . 27190 2 137 . 2 . 2 31 31 GLN H H 1 8.023 0.003 . 1 . . . . . 1937 GLN H . 27190 2 138 . 2 . 2 31 31 GLN C C 13 180.510 0.000 . 1 . . . . . 1937 GLN C . 27190 2 139 . 2 . 2 31 31 GLN CA C 13 57.433 0.039 . 1 . . . . . 1937 GLN CA . 27190 2 140 . 2 . 2 31 31 GLN CB C 13 30.522 0.000 . 1 . . . . . 1937 GLN CB . 27190 2 141 . 2 . 2 31 31 GLN N N 15 127.493 0.015 . 1 . . . . . 1937 GLN N . 27190 2 stop_ save_