data_17627 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N chemical shift assignments for apo actinin-2 C-terminal EF-hand (Act2-EF34) ; _BMRB_accession_number 17627 _BMRB_flat_file_name bmr17627.str _Entry_type original _Submission_date 2011-05-05 _Accession_date 2011-05-05 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Au Yunghan . . 2 Beck Moriah R. . 3 Campbell Sharon L. . 4 Pastore Annalisa . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 250 "13C chemical shifts" 135 "15N chemical shifts" 67 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-06-03 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 17626 'Act2-EF34 in complex with palladin peptide' 4453 Act2EF34-Zr7 4454 Act2EF34-Zr7 stop_ _Original_release_date 2011-06-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The Interaction of alpha-Actinin-2 with ZASP and Titin' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Au Yunghan . . 2 Pastore Annalisa . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Thesis_institution 'University College London' _Thesis_institution_city London _Thesis_institution_country UK _Page_first . _Page_last . _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name alpha-actinin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Ef-Hands 3,4 From Alpha-Actinin' $Act2-EF34 stop_ _System_molecular_weight 8071.05 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Act2-EF34 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Act2-EF34 _Molecular_mass 8071.05 _Mol_thiol_state 'all free' loop_ _Biological_function 'scaffolding protein, involved in multiple binding interactions associated with actin cytoskeleton and muscle sarcomere' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 75 _Mol_residue_sequence ; GAMADTDTAEQVIASFRILA SDKPYILAEELRRELPPDQA QYCIKRMPAYSGPGSVPGAL DYAAFSSALYGESDL ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 ALA 5 ASP 6 THR 7 ASP 8 THR 9 ALA 10 GLU 11 GLN 12 VAL 13 ILE 14 ALA 15 SER 16 PHE 17 ARG 18 ILE 19 LEU 20 ALA 21 SER 22 ASP 23 LYS 24 PRO 25 TYR 26 ILE 27 LEU 28 ALA 29 GLU 30 GLU 31 LEU 32 ARG 33 ARG 34 GLU 35 LEU 36 PRO 37 PRO 38 ASP 39 GLN 40 ALA 41 GLN 42 TYR 43 CYS 44 ILE 45 LYS 46 ARG 47 MET 48 PRO 49 ALA 50 TYR 51 SER 52 GLY 53 PRO 54 GLY 55 SER 56 VAL 57 PRO 58 GLY 59 ALA 60 LEU 61 ASP 62 TYR 63 ALA 64 ALA 65 PHE 66 SER 67 SER 68 ALA 69 LEU 70 TYR 71 GLY 72 GLU 73 SER 74 ASP 75 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-05 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 17626 Act2-EF34 100.00 75 100.00 100.00 4.17e-45 BMRB 4453 "alpha-actinin C-terminal EF-hands" 100.00 75 100.00 100.00 4.17e-45 BMRB 4454 "alpha-actinin C-terminal EF-hands" 100.00 75 100.00 100.00 4.17e-45 PDB 1H8B "Ef-Hands 3,4 From Alpha-Actinin Z-Repeat 7 From Titin" 100.00 75 100.00 100.00 4.17e-45 PDB 4D1E "The Crystal Structure Of Human Muscle Alpha-actinin-2" 96.00 876 100.00 100.00 7.65e-41 DBJ BAB22865 "unnamed protein product [Mus musculus]" 96.00 225 97.22 97.22 1.70e-41 DBJ BAD92758 "actinin, alpha 2 variant [Homo sapiens]" 96.00 664 100.00 100.00 1.07e-40 DBJ BAG37672 "unnamed protein product [Homo sapiens]" 96.00 894 100.00 100.00 7.52e-41 DBJ BAH11921 "unnamed protein product [Homo sapiens]" 96.00 803 98.61 98.61 1.84e-40 DBJ BAH12587 "unnamed protein product [Homo sapiens]" 96.00 679 100.00 100.00 1.20e-40 EMBL CAB61269 "alpha-actinin 2 protein [Homo sapiens]" 96.00 894 100.00 100.00 6.75e-41 GB AAA51583 "alpha-actinin [Homo sapiens]" 96.00 894 100.00 100.00 6.75e-41 GB AAF76325 "alpha-actinin 2 [Mus musculus]" 96.00 894 97.22 97.22 1.12e-39 GB AAH47901 "Actinin, alpha 2 [Homo sapiens]" 96.00 894 100.00 100.00 6.75e-41 GB AAH51770 "Actinin, alpha 2 [Homo sapiens]" 96.00 894 100.00 100.00 6.75e-41 GB AAH89579 "Actinin alpha 2 [Mus musculus]" 96.00 894 97.22 97.22 1.20e-39 REF NP_001029807 "alpha-actinin-2 [Bos taurus]" 96.00 894 98.61 98.61 2.41e-40 REF NP_001094 "alpha-actinin-2 isoform 1 [Homo sapiens]" 96.00 894 100.00 100.00 6.75e-41 REF NP_001163796 "alpha-actinin-2 [Rattus norvegicus]" 96.00 894 97.22 97.22 1.33e-39 REF NP_001230595 "alpha-actinin-2 [Sus scrofa]" 96.00 894 98.61 98.61 2.61e-40 REF NP_001265272 "alpha-actinin-2 isoform 2 [Homo sapiens]" 96.00 894 100.00 100.00 7.52e-41 SP P35609 "RecName: Full=Alpha-actinin-2; AltName: Full=Alpha-actinin skeletal muscle isoform 2; AltName: Full=F-actin cross-linking prote" 96.00 894 100.00 100.00 6.75e-41 SP Q3ZC55 "RecName: Full=Alpha-actinin-2; AltName: Full=Alpha-actinin skeletal muscle isoform 2; AltName: Full=F-actin cross-linking prote" 96.00 894 98.61 98.61 2.41e-40 SP Q9JI91 "RecName: Full=Alpha-actinin-2; AltName: Full=Alpha-actinin skeletal muscle isoform 2; AltName: Full=F-actin cross-linking prote" 96.00 894 97.22 97.22 1.33e-39 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $Act2-EF34 Human 9606 Eukaryota Metazoa Homo sapiens 'skeletal muscle isoform' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $Act2-EF34 'recombinant technology' . Escherichia coli . pET9d 'modified pET vector with N-term 6-His tag and TEV site' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Act2-EF34 . mM 0.5 1 '[U-100% 13C; U-100% 15N]' D2O 10 % . . [U-2H] 'sodium phosphate' 20 mM . . 'natural abundance' 'sodium azide' 0.02 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Act2-EF34 . mM 0.5 1 '[U-100% 15N]' D2O 10 % . . [U-2H] 'sodium phosphate' 20 mM . . 'natural abundance' 'sodium azide' 0.02 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'peak picking' processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HNHB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 6.6 0.1 pH pressure 1 . atm temperature 300 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D HNCACB' '3D CBCA(CO)NH' '3D HNHA' '3D HNHB' stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Ef-Hands 3,4 From Alpha-Actinin' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLY CA C 45 . 1 2 2 2 ALA H H 7.97 . 1 3 2 2 ALA HA H 4.28 . 1 4 2 2 ALA HB H 1.32 . . 5 2 2 ALA CA C 52.39 . 1 6 2 2 ALA CB C 19.18 . 1 7 2 2 ALA N N 123.35 . 1 8 3 3 MET H H 8.44 . 1 9 3 3 MET HA H 4.37 . 1 10 3 3 MET HB2 H 1.95 . . 11 3 3 MET HB3 H 1.95 . . 12 3 3 MET HG2 H 2.45 . . 13 3 3 MET HG3 H 2.45 . . 14 3 3 MET CA C 55.26 . 1 15 3 3 MET CB C 32.82 . 1 16 3 3 MET N N 119.33 . 1 17 4 4 ALA H H 8.3 . 1 18 4 4 ALA HA H 4.29 . 1 19 4 4 ALA HB H 1.33 . . 20 4 4 ALA CA C 52.16 . 1 21 4 4 ALA CB C 19.28 . 1 22 4 4 ALA N N 124.79 . 1 23 5 5 ASP H H 8.32 . 1 24 5 5 ASP HA H 4.54 . 1 25 5 5 ASP HB2 H 2.68 . 2 26 5 5 ASP HB3 H 2.63 . 2 27 5 5 ASP CA C 54.61 . 1 28 5 5 ASP CB C 40.76 . 1 29 5 5 ASP N N 119.61 . 1 30 6 6 THR H H 7.86 . 1 31 6 6 THR HA H 4.26 . 1 32 6 6 THR HB H 3.75 . 1 33 6 6 THR CA C 61.71 . 1 34 6 6 THR CB C 69.37 . 1 35 6 6 THR N N 111.78 . 1 36 7 7 ASP H H 8.18 . 1 37 7 7 ASP HA H 4.63 . 1 38 7 7 ASP HB2 H 2.63 . . 39 7 7 ASP HB3 H 2.63 . . 40 7 7 ASP CA C 54.75 . 1 41 7 7 ASP CB C 41.17 . 1 42 7 7 ASP N N 122.79 . 1 43 8 8 THR H H 8.06 . 1 44 8 8 THR HA H 4.24 . 1 45 8 8 THR HB H 4.09 . 1 46 8 8 THR CA C 62.15 . 1 47 8 8 THR CB C 69.73 . 1 48 8 8 THR N N 113.91 . 1 49 9 9 ALA H H 8.44 . 1 50 9 9 ALA HA H 4 . 1 51 9 9 ALA HB H 1.4 . . 52 9 9 ALA CA C 54.84 . 1 53 9 9 ALA CB C 17.96 . 1 54 9 9 ALA N N 124.37 . 1 55 10 10 GLU H H 8.33 . 1 56 10 10 GLU HA H 3.99 . 1 57 10 10 GLU HB2 H 2 . . 58 10 10 GLU HB3 H 2 . . 59 10 10 GLU HG2 H 2.3 . . 60 10 10 GLU HG3 H 2.3 . . 61 10 10 GLU CA C 59.13 . 1 62 10 10 GLU CB C 29.13 . 1 63 10 10 GLU N N 116.53 . 1 64 11 11 GLN H H 7.83 . 1 65 11 11 GLN HA H 4.07 . 1 66 11 11 GLN HB2 H 2.08 . . 67 11 11 GLN HB3 H 2.08 . . 68 11 11 GLN HG2 H 2.34 . . 69 11 11 GLN HG3 H 2.34 . . 70 11 11 GLN CA C 57.97 . 1 71 11 11 GLN CB C 28.63 . 1 72 11 11 GLN N N 119.49 . 1 73 12 12 VAL H H 7.99 . 1 74 12 12 VAL HA H 3.57 . 1 75 12 12 VAL HB H 2.06 . 1 76 12 12 VAL HG1 H 0.87 . . 77 12 12 VAL HG2 H 0.81 . . 78 12 12 VAL CA C 65.54 . 1 79 12 12 VAL CB C 30.44 . 1 80 12 12 VAL N N 122.07 . 1 81 13 13 ILE H H 8.24 . 1 82 13 13 ILE HA H 3.67 . 1 83 13 13 ILE HB H 1.89 . 1 84 13 13 ILE CA C 65.32 . 1 85 13 13 ILE CB C 37.55 . 1 86 13 13 ILE N N 121.06 . 1 87 14 14 ALA H H 7.82 . 1 88 14 14 ALA HA H 4.04 . 1 89 14 14 ALA HB H 1.4 . . 90 14 14 ALA CA C 54.49 . 1 91 14 14 ALA CB C 17.86 . 1 92 14 14 ALA N N 121.23 . 1 93 15 15 SER H H 7.77 . 1 94 15 15 SER HA H 4.14 . 1 95 15 15 SER HB2 H 3.81 . 2 96 15 15 SER HB3 H 3.69 . 2 97 15 15 SER CA C 61 . 1 98 15 15 SER CB C 62.42 . 1 99 15 15 SER N N 114.09 . 1 100 16 16 PHE H H 7.87 . 1 101 16 16 PHE HA H 4.04 . 1 102 16 16 PHE HB2 H 2.69 . 2 103 16 16 PHE HB3 H 2.17 . 2 104 16 16 PHE CA C 60.37 . 1 105 16 16 PHE CB C 38.77 . 1 106 16 16 PHE N N 122.05 . 1 107 17 17 ARG H H 8.17 . 1 108 17 17 ARG HA H 3.57 . 1 109 17 17 ARG CA C 59.64 . 1 110 17 17 ARG CB C 29.76 . 1 111 17 17 ARG N N 119.99 . 1 112 18 18 ILE H H 7.27 . 1 113 18 18 ILE HA H 3.79 . 1 114 18 18 ILE HB H 1.85 . 1 115 18 18 ILE CA C 63.91 . 1 116 18 18 ILE CB C 37.9 . 1 117 18 18 ILE N N 118.08 . 1 118 19 19 LEU H H 7.6 . 1 119 19 19 LEU HA H 4 . 1 120 19 19 LEU HB2 H 1.78 . . 121 19 19 LEU HB3 H 1.78 . . 122 19 19 LEU CA C 57.17 . 1 123 19 19 LEU CB C 41.77 . 1 124 19 19 LEU N N 122.64 . 1 125 20 20 ALA H H 8.01 . 1 126 20 20 ALA HA H 4.22 . 1 127 20 20 ALA HB H 1.33 . . 128 20 20 ALA CA C 51.55 . 1 129 20 20 ALA CB C 18.88 . 1 130 20 20 ALA N N 119.22 . 1 131 21 21 SER H H 8.11 . 1 132 21 21 SER HA H 4.06 . 1 133 21 21 SER HB2 H 3.91 . . 134 21 21 SER HB3 H 3.91 . . 135 21 21 SER CA C 58.89 . 1 136 21 21 SER CB C 61.11 . 1 137 21 21 SER N N 116.41 . 1 138 22 22 ASP H H 8.63 . 1 139 22 22 ASP HA H 4.07 . 1 140 22 22 ASP HB2 H 2.84 . 2 141 22 22 ASP HB3 H 2.7 . 2 142 22 22 ASP CA C 55.72 . 1 143 22 22 ASP CB C 40.08 . 1 144 22 22 ASP N N 112.32 . 1 145 23 23 LYS H H 7.33 . 1 146 23 23 LYS HA H 4.38 . 1 147 23 23 LYS HB2 H 2.05 . . 148 23 23 LYS HB3 H 2.05 . . 149 23 23 LYS CB C 31.66 . 1 150 23 23 LYS N N 119.05 . 1 151 24 24 PRO CA C 63.12 . 1 152 24 24 PRO CB C 31.33 . 1 153 25 25 TYR H H 6.42 . 1 154 25 25 TYR HA H 4.79 . 1 155 25 25 TYR HB2 H 2.81 . . 156 25 25 TYR HB3 H 2.81 . . 157 25 25 TYR CA C 54.25 . 1 158 25 25 TYR CB C 40.68 . 1 159 25 25 TYR N N 112.96 . 1 160 26 26 ILE H H 9.1 . 1 161 26 26 ILE HA H 4.9 . 1 162 26 26 ILE CA C 58.64 . 1 163 26 26 ILE CB C 43.34 . 1 164 26 26 ILE N N 116.78 . 1 165 27 27 LEU H H 8.92 . 1 166 27 27 LEU HA H 5.04 . 1 167 27 27 LEU HB2 H 1.9 . . 168 27 27 LEU HB3 H 1.9 . . 169 27 27 LEU HG H 1.63 . 1 170 27 27 LEU CA C 53.17 . 1 171 27 27 LEU CB C 43.04 . 1 172 27 27 LEU N N 125.09 . 1 173 28 28 ALA H H 9.52 . 1 174 28 28 ALA HA H 4.35 . 1 175 28 28 ALA CA C 56.07 . 1 176 28 28 ALA CB C 17.45 . 1 177 28 28 ALA N N 126.89 . 1 178 29 29 GLU H H 9.2 . 1 179 29 29 GLU CA C 59.15 . 1 180 29 29 GLU CB C 29.11 . 1 181 29 29 GLU N N 113.99 . 1 182 30 30 GLU H H 7.17 . 1 183 30 30 GLU HA H 3.97 . 1 184 30 30 GLU HB2 H 1.86 . . 185 30 30 GLU HB3 H 1.86 . . 186 30 30 GLU CA C 58.76 . 1 187 30 30 GLU CB C 28.99 . 1 188 30 30 GLU N N 118.47 . 1 189 31 31 LEU H H 7.34 . 1 190 31 31 LEU HA H 3.9 . 1 191 31 31 LEU HB2 H 2.07 . . 192 31 31 LEU HB3 H 2.07 . . 193 31 31 LEU CA C 58.19 . 1 194 31 31 LEU CB C 42.3 . 1 195 31 31 LEU N N 118.49 . 1 196 32 32 ARG H H 8.1 . 1 197 32 32 ARG HA H 3.89 . 1 198 32 32 ARG HB2 H 1.7 . . 199 32 32 ARG HB3 H 1.7 . . 200 32 32 ARG CA C 58.36 . 1 201 32 32 ARG CB C 30.89 . 1 202 32 32 ARG N N 113.91 . 1 203 33 33 ARG H H 7.44 . 1 204 33 33 ARG HA H 4.15 . 1 205 33 33 ARG HB2 H 1.96 . 2 206 33 33 ARG HB3 H 1.75 . 2 207 33 33 ARG HG2 H 1.6 . . 208 33 33 ARG HG3 H 1.6 . . 209 33 33 ARG CA C 58.18 . 1 210 33 33 ARG CB C 30.84 . 1 211 33 33 ARG N N 116.92 . 1 212 34 34 GLU H H 7.24 . 1 213 34 34 GLU HA H 4.46 . 1 214 34 34 GLU HB2 H 1.66 . . 215 34 34 GLU HB3 H 1.66 . . 216 34 34 GLU HG2 H 2.19 . . 217 34 34 GLU HG3 H 2.19 . . 218 34 34 GLU CA C 56.25 . 1 219 34 34 GLU CB C 32.18 . 1 220 34 34 GLU N N 114.09 . 1 221 35 35 LEU H H 7.76 . 1 222 35 35 LEU HA H 4.92 . 1 223 35 35 LEU HB2 H 1.67 . . 224 35 35 LEU HB3 H 1.67 . . 225 35 35 LEU HG H 1.33 . 1 226 35 35 LEU CA C 52.1 . 1 227 35 35 LEU CB C 42.71 . 1 228 35 35 LEU N N 118.8 . 1 229 36 36 PRO CA C 65.98 . 1 230 36 36 PRO CB C 32.05 . 1 231 37 38 ASP H H 8.89 . 1 232 37 38 ASP HA H 4.36 . 1 233 37 38 ASP HB2 H 2.69 . 2 234 37 38 ASP HB3 H 2.6 . 2 235 37 38 ASP CA C 56.84 . 1 236 37 38 ASP CB C 39.19 . 1 237 37 38 ASP N N 116 . 1 238 38 39 GLN H H 7.44 . 1 239 38 39 GLN HA H 4.21 . 1 240 38 39 GLN HB2 H 2.09 . . 241 38 39 GLN HB3 H 2.09 . . 242 38 39 GLN CA C 58.27 . 1 243 38 39 GLN CB C 29.31 . 1 244 38 39 GLN N N 121.75 . 1 245 39 40 ALA H H 8.81 . 1 246 39 40 ALA HB H 1.28 . . 247 39 40 ALA CA C 56.01 . 1 248 39 40 ALA CB C 17.56 . 1 249 39 40 ALA N N 122.24 . 1 250 40 41 GLN H H 8.1 . 1 251 40 41 GLN HA H 3.98 . 1 252 40 41 GLN HB2 H 2.17 . 2 253 40 41 GLN HB3 H 2.08 . 2 254 40 41 GLN HG2 H 2.45 . . 255 40 41 GLN HG3 H 2.45 . . 256 40 41 GLN CA C 58.58 . 1 257 40 41 GLN CB C 28.39 . 1 258 40 41 GLN N N 115.09 . 1 259 41 42 TYR H H 7.63 . 1 260 41 42 TYR HA H 4.02 . 1 261 41 42 TYR HB2 H 3.32 . . 262 41 42 TYR HB3 H 3.32 . . 263 41 42 TYR CA C 61.09 . 1 264 41 42 TYR CB C 38.59 . 1 265 41 42 TYR N N 119.71 . 1 266 42 43 CYS H H 7.96 . 1 267 42 43 CYS HA H 3.88 . 1 268 42 43 CYS HB2 H 3.05 . 2 269 42 43 CYS HB3 H 2.45 . 2 270 42 43 CYS CA C 63.93 . 1 271 42 43 CYS CB C 27.62 . 1 272 42 43 CYS N N 115.27 . 1 273 43 44 ILE H H 8.41 . 1 274 43 44 ILE CA C 65.42 . 1 275 43 44 ILE CB C 38.26 . 1 276 43 44 ILE N N 119.76 . 1 277 44 45 LYS H H 7.52 . 1 278 44 45 LYS HA H 4.04 . 1 279 44 45 LYS HB2 H 1.75 . . 280 44 45 LYS HB3 H 1.75 . . 281 44 45 LYS CA C 57.67 . 1 282 44 45 LYS CB C 32.5 . 1 283 44 45 LYS N N 115.22 . 1 284 45 46 ARG H H 7.18 . 1 285 45 46 ARG HA H 4.25 . 1 286 45 46 ARG HB2 H 1.31 . . 287 45 46 ARG HB3 H 1.31 . . 288 45 46 ARG CA C 55.64 . 1 289 45 46 ARG CB C 31.45 . 1 290 45 46 ARG N N 116.04 . 1 291 46 47 MET H H 7.6 . 1 292 46 47 MET HA H 4.57 . 1 293 46 47 MET HB2 H 1.79 . . 294 46 47 MET HB3 H 1.79 . . 295 46 47 MET HG2 H 2.53 . . 296 46 47 MET HG3 H 2.53 . . 297 46 47 MET N N 120.23 . 1 298 47 48 PRO CA C 61.14 . 1 299 47 48 PRO CB C 32.07 . 1 300 48 49 ALA H H 8.41 . 1 301 48 49 ALA HA H 4.36 . 1 302 48 49 ALA HB H 1.32 . . 303 48 49 ALA CA C 52.48 . 1 304 48 49 ALA CB C 18.37 . 1 305 48 49 ALA N N 121.39 . 1 306 49 50 TYR H H 8.31 . 1 307 49 50 TYR HA H 4.59 . 1 308 49 50 TYR HB2 H 2.42 . . 309 49 50 TYR HB3 H 2.42 . . 310 49 50 TYR CA C 57.43 . 1 311 49 50 TYR CB C 38.87 . 1 312 49 50 TYR N N 122.19 . 1 313 50 51 SER H H 8.71 . 1 314 50 51 SER CA C 56.35 . 1 315 50 51 SER CB C 63.44 . 1 316 50 51 SER N N 124.29 . 1 317 51 52 GLY HA2 H 4.02 . 2 318 51 52 GLY HA3 H 3.53 . 2 319 51 52 GLY N N 107.1 . 1 320 52 54 GLY CA C 45.52 . 1 321 53 55 SER H H 7.61 . 1 322 53 55 SER HA H 3.7 . 1 323 53 55 SER HB2 H 3.52 . . 324 53 55 SER HB3 H 3.52 . . 325 53 55 SER CA C 59.33 . 1 326 53 55 SER CB C 62.84 . 1 327 53 55 SER N N 111.71 . 1 328 54 56 VAL H H 6.3 . 1 329 54 56 VAL HA H 4.67 . 1 330 54 56 VAL HB H 2.22 . 1 331 54 56 VAL CA C 57.57 . 1 332 54 56 VAL CB C 33.11 . 1 333 54 56 VAL N N 114.56 . 1 334 55 57 PRO CA C 63.88 . 1 335 55 57 PRO CB C 31.37 . 1 336 56 58 GLY H H 8.6 . 1 337 56 58 GLY HA2 H 4.26 . 2 338 56 58 GLY HA3 H 3.67 . 2 339 56 58 GLY CA C 44.69 . 1 340 56 58 GLY N N 111.9 . 1 341 57 59 ALA H H 7.76 . 1 342 57 59 ALA HA H 4.02 . 1 343 57 59 ALA HB H 1.06 . . 344 57 59 ALA CA C 53.04 . 1 345 57 59 ALA CB C 43.14 . 1 346 57 59 ALA N N 121.55 . 1 347 58 60 LEU H H 9.52 . 1 348 58 60 LEU HA H 4.35 . 1 349 58 60 LEU HB2 H 1.45 . . 350 58 60 LEU HB3 H 1.45 . . 351 58 60 LEU CA C 54.17 . 1 352 58 60 LEU CB C 43.83 . 1 353 58 60 LEU N N 126.53 . 1 354 59 61 ASP H H 9.06 . 1 355 59 61 ASP HB2 H 3.11 . . 356 59 61 ASP HB3 H 3.11 . . 357 59 61 ASP CA C 51.88 . 1 358 59 61 ASP CB C 41.01 . 1 359 59 61 ASP N N 121.73 . 1 360 60 62 TYR H H 7.06 . 1 361 60 62 TYR HA H 4.24 . 1 362 60 62 TYR HB2 H 2.77 . 2 363 60 62 TYR HB3 H 2.34 . 2 364 60 62 TYR CA C 58.41 . 1 365 60 62 TYR CB C 37.22 . 1 366 60 62 TYR N N 122.55 . 1 367 61 63 ALA H H 7.99 . 1 368 61 63 ALA HA H 4.2 . 1 369 61 63 ALA HB H 1.32 . . 370 61 63 ALA CA C 54.37 . 1 371 61 63 ALA CB C 17.15 . 1 372 61 63 ALA N N 127.64 . 1 373 62 64 ALA H H 7.5 . 1 374 62 64 ALA HA H 4.3 . 1 375 62 64 ALA HB H 1.3 . . 376 62 64 ALA CA C 52.27 . 1 377 62 64 ALA CB C 18.67 . 1 378 62 64 ALA N N 121.03 . 1 379 63 65 PHE H H 7.46 . 1 380 63 65 PHE HA H 4.46 . 1 381 63 65 PHE HB2 H 3.23 . 2 382 63 65 PHE HB3 H 3.11 . 2 383 63 65 PHE CA C 59.23 . 1 384 63 65 PHE CB C 40.64 . 1 385 63 65 PHE N N 118.82 . 1 386 64 66 SER H H 7.89 . 1 387 64 66 SER HA H 4.21 . 1 388 64 66 SER HB2 H 3.99 . 2 389 64 66 SER HB3 H 3.81 . 2 390 64 66 SER CA C 59.37 . 1 391 64 66 SER CB C 63.64 . 1 392 64 66 SER N N 117.71 . 1 393 65 67 SER H H 8.13 . 1 394 65 67 SER HA H 4.21 . 1 395 65 67 SER HB2 H 3.9 . . 396 65 67 SER HB3 H 3.9 . . 397 65 67 SER CA C 59.86 . 1 398 65 67 SER CB C 63.2 . 1 399 65 67 SER N N 116.57 . 1 400 66 68 ALA H H 7.78 . 1 401 66 68 ALA HA H 4.2 . 1 402 66 68 ALA HB H 1.28 . . 403 66 68 ALA CA C 52.77 . 1 404 66 68 ALA CB C 18.57 . 1 405 66 68 ALA N N 124 . 1 406 67 69 LEU H H 7.73 . 1 407 67 69 LEU HA H 4.06 . 1 408 67 69 LEU HB2 H 1.21 . . 409 67 69 LEU HB3 H 1.21 . . 410 67 69 LEU CA C 55.59 . 1 411 67 69 LEU CB C 42.26 . 1 412 67 69 LEU N N 119.63 . 1 413 68 70 TYR H H 7.86 . 1 414 68 70 TYR HA H 4.49 . 1 415 68 70 TYR HB2 H 3.07 . 2 416 68 70 TYR HB3 H 2.78 . 2 417 68 70 TYR CA C 57.79 . 1 418 68 70 TYR CB C 38.79 . 1 419 68 70 TYR N N 118.47 . 1 420 69 71 GLY H H 8.01 . 1 421 69 71 GLY HA2 H 3.95 . 2 422 69 71 GLY HA3 H 3.88 . 2 423 69 71 GLY CA C 45.09 . 1 424 69 71 GLY N N 109.82 . 1 425 70 72 GLU H H 8.18 . 1 426 70 72 GLU HA H 4.28 . 1 427 70 72 GLU HB2 H 2.04 . 2 428 70 72 GLU HB3 H 1.9 . 2 429 70 72 GLU HG2 H 2.23 . . 430 70 72 GLU HG3 H 2.23 . . 431 70 72 GLU CA C 56.3 . 1 432 70 72 GLU CB C 30.24 . 1 433 70 72 GLU N N 120.29 . 1 434 71 73 SER H H 8.28 . 1 435 71 73 SER HA H 4.47 . 1 436 71 73 SER HB2 H 3.81 . . 437 71 73 SER HB3 H 3.81 . . 438 71 73 SER CA C 58.1 . 1 439 71 73 SER CB C 64.17 . 1 440 71 73 SER N N 116.07 . 1 441 72 74 ASP H H 8.36 . 1 442 72 74 ASP HA H 4.61 . 1 443 72 74 ASP HB2 H 2.69 . 2 444 72 74 ASP HB3 H 2.55 . 2 445 72 74 ASP CA C 54.14 . 1 446 72 74 ASP CB C 40.84 . 1 447 72 74 ASP N N 122.83 . 1 448 73 75 LEU H H 7.69 . 1 449 73 75 LEU HA H 4.16 . 1 450 73 75 LEU HB2 H 1.53 . . 451 73 75 LEU HB3 H 1.53 . . 452 73 75 LEU N N 127.19 . 1 stop_ save_