data_25992 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and Side Chain Chemical Shift Assignments for the myosin IIA fragment 1893-1937 (MPT) ; _BMRB_accession_number 25992 _BMRB_flat_file_name bmr25992.str _Entry_type original _Submission_date 2016-03-11 _Accession_date 2016-03-11 _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 Bodor Andrea . . 2 Palfy Gyula . . 3 Kiss Bence . . 4 Nyitray Laszlo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 211 "13C chemical shifts" 136 "15N chemical shifts" 41 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-13 update BMRB 'update entry citation' 2016-08-19 original author 'original release' stop_ _Original_release_date 2016-08-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Multilevel Changes in Protein Dynamics upon Complex Formation of the Calcium-Loaded S100A4 with a Nonmuscle Myosin IIA Tail Fragment ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27418229 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Palfy Gyula . . 2 Kiss Bence . . 3 Nyitray Laszlo . . 4 Bodor Andrea . . stop_ _Journal_abbreviation Chembiochem. _Journal_volume 17 _Journal_issue 19 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1829 _Page_last 1838 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name MPT _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MPT $MPT stop_ _System_molecular_weight 5346.1 _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MPT _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MPT _Molecular_mass 5346.1 _Mol_thiol_state 'not present' _Details 'This fragment is a part of protein Myosin IIA heavy chain, region 1893-1937.' ############################## # Polymer residue sequence # ############################## _Residue_count 45 _Mol_residue_sequence ; YRKLQRELEDATETADAMNR EVSSLKNKLRRGDLPFVVPR RMARK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1893 TYR 2 1894 ARG 3 1895 LYS 4 1896 LEU 5 1897 GLN 6 1898 ARG 7 1899 GLU 8 1900 LEU 9 1901 GLU 10 1902 ASP 11 1903 ALA 12 1904 THR 13 1905 GLU 14 1906 THR 15 1907 ALA 16 1908 ASP 17 1909 ALA 18 1910 MET 19 1911 ASN 20 1912 ARG 21 1913 GLU 22 1914 VAL 23 1915 SER 24 1916 SER 25 1917 LEU 26 1918 LYS 27 1919 ASN 28 1920 LYS 29 1921 LEU 30 1922 ARG 31 1923 ARG 32 1924 GLY 33 1925 ASP 34 1926 LEU 35 1927 PRO 36 1928 PHE 37 1929 VAL 38 1930 VAL 39 1931 PRO 40 1932 ARG 41 1933 ARG 42 1934 MET 43 1935 ALA 44 1936 ARG 45 1937 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UNP P35579 Myosin-9 . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MPT Human 9606 Eukaryota Metazoa Homo sapiens 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 $MPT 'recombinant technology' . Escherichia coli . pUBK 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 _Isotopic_labeling $MPT 0.7 mM '[U-100% 15N]' CaCl2 1 mM 'natural abundance' MES 20 mM 'natural abundance' NaCl 20 mM 'natural abundance' TCEP 10 mM 'natural abundance' NaN3 10 mM 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MPT 0.80 mM '[U-100% 13C; U-100% 15N]' CaCl2 1 mM 'natural abundance' MES 20 mM 'natural abundance' NaCl 20 mM 'natural abundance' TCEP 10 mM 'natural abundance' NaN3 10 mM 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.0.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4.2 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details '5mm z-gradient 1H/13C/15N/2H inverse probe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CC(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CC(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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' 0.1 . M pH 6.2 . pH pressure 1 . atm temperature 283 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 5.4 . pH pressure 1 . atm temperature 283 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details 'The deposited data file consists chemical shift values from measurements collected on both sample_1 and sample_2.' loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HN(CO)CA' '3D CC(CO)NH' '3D HNCACB' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name MPT _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 1893 1 TYR HA H 4.576 0.020 1 2 1893 1 TYR CA C 57.973 0.3 1 3 1895 3 LYS H H 8.548 0.020 1 4 1895 3 LYS HA H 4.261 0.020 1 5 1895 3 LYS HB2 H 1.728 0.020 1 6 1895 3 LYS HB3 H 1.728 0.020 1 7 1895 3 LYS CA C 56.495 0.3 1 8 1895 3 LYS CB C 32.844 0.3 1 9 1895 3 LYS CG C 24.780 0.3 1 10 1895 3 LYS CD C 29.189 0.3 1 11 1895 3 LYS CE C 41.983 0.3 1 12 1895 3 LYS N N 124.700 0.3 1 13 1896 4 LEU H H 8.548 0.020 1 14 1896 4 LEU HA H 4.291 0.020 1 15 1896 4 LEU HB2 H 1.667 0.020 1 16 1896 4 LEU HB3 H 1.667 0.020 1 17 1896 4 LEU CA C 55.123 0.3 1 18 1896 4 LEU CB C 42.198 0.3 1 19 1896 4 LEU CG C 27.038 0.3 1 20 1896 4 LEU CD1 C 24.780 0.3 1 21 1896 4 LEU CD2 C 23.275 0.3 1 22 1896 4 LEU N N 124.412 0.3 1 23 1897 5 GLN H H 8.489 0.020 1 24 1897 5 GLN HA H 4.276 0.020 1 25 1897 5 GLN HB2 H 2.059 0.020 1 26 1897 5 GLN HB3 H 2.059 0.020 1 27 1897 5 GLN HG2 H 2.376 0.020 1 28 1897 5 GLN HG3 H 2.376 0.020 1 29 1897 5 GLN CA C 56.171 0.3 1 30 1897 5 GLN CB C 29.081 0.3 1 31 1897 5 GLN CG C 33.597 0.3 1 32 1897 5 GLN N N 121.652 0.3 1 33 1898 6 ARG H H 8.489 0.020 1 34 1898 6 ARG HA H 4.306 0.020 1 35 1898 6 ARG HB2 H 1.773 0.020 1 36 1898 6 ARG HB3 H 1.773 0.020 1 37 1898 6 ARG HD2 H 3.145 0.020 1 38 1898 6 ARG HD3 H 3.145 0.020 1 39 1898 6 ARG CA C 56.401 0.3 1 40 1898 6 ARG CB C 30.586 0.3 1 41 1898 6 ARG CG C 26.823 0.3 1 42 1898 6 ARG N N 121.981 0.3 1 43 1899 7 GLU H H 8.625 0.020 1 44 1899 7 GLU HA H 4.261 0.020 1 45 1899 7 GLU HB2 H 1.999 0.020 1 46 1899 7 GLU HB3 H 1.999 0.020 1 47 1899 7 GLU HG2 H 2.316 0.020 1 48 1899 7 GLU HG3 H 2.316 0.020 1 49 1899 7 GLU CA C 57.045 0.3 1 50 1899 7 GLU CB C 29.941 0.3 1 51 1899 7 GLU CG C 36.177 0.3 1 52 1899 7 GLU N N 121.512 0.3 1 53 1900 8 LEU H H 8.308 0.020 1 54 1900 8 LEU HA H 4.306 0.020 1 55 1900 8 LEU HB2 H 1.652 0.020 1 56 1900 8 LEU HB3 H 1.652 0.020 1 57 1900 8 LEU HG H 2.029 0.020 1 58 1900 8 LEU HD1 H 0.883 0.020 1 59 1900 8 LEU HD2 H 0.883 0.020 1 60 1900 8 LEU CA C 55.482 0.3 1 61 1900 8 LEU CB C 42.091 0.3 1 62 1900 8 LEU CG C 26.716 0.3 1 63 1900 8 LEU CD1 C 24.780 0.3 1 64 1900 8 LEU CD2 C 23.275 0.3 1 65 1900 8 LEU N N 122.003 0.3 1 66 1901 9 GLU H H 8.410 0.020 1 67 1901 9 GLU HA H 4.231 0.020 1 68 1901 9 GLU HB2 H 1.984 0.020 1 69 1901 9 GLU HB3 H 1.984 0.020 1 70 1901 9 GLU HG2 H 2.286 0.020 1 71 1901 9 GLU HG3 H 2.286 0.020 1 72 1901 9 GLU CA C 56.861 0.3 1 73 1901 9 GLU CB C 29.941 0.3 1 74 1901 9 GLU CG C 36.177 0.3 1 75 1901 9 GLU N N 121.183 0.3 1 76 1902 10 ASP H H 8.430 0.020 1 77 1902 10 ASP HA H 4.593 0.020 1 78 1902 10 ASP HB2 H 2.708 0.020 1 79 1902 10 ASP HB3 H 2.708 0.020 1 80 1902 10 ASP CA C 54.471 0.3 1 81 1902 10 ASP CB C 41.016 0.3 1 82 1902 10 ASP N N 121.379 0.3 1 83 1903 11 ALA H H 8.405 0.020 1 84 1903 11 ALA HA H 4.367 0.020 1 85 1903 11 ALA HB H 1.434 0.020 1 86 1903 11 ALA CA C 53.000 0.3 1 87 1903 11 ALA CB C 18.867 0.3 1 88 1903 11 ALA N N 125.122 0.3 1 89 1904 12 THR H H 8.298 0.020 1 90 1904 12 THR HA H 4.306 0.020 1 91 1904 12 THR HB H 4.249 0.020 1 92 1904 12 THR HG2 H 1.234 0.020 1 93 1904 12 THR CA C 63.019 0.3 1 94 1904 12 THR CB C 69.508 0.3 1 95 1904 12 THR CG2 C 21.681 0.3 1 96 1904 12 THR N N 113.832 0.3 1 97 1905 13 GLU H H 8.473 0.020 1 98 1905 13 GLU HA H 4.367 0.020 1 99 1905 13 GLU HB2 H 2.044 0.020 1 100 1905 13 GLU HB3 H 2.044 0.020 1 101 1905 13 GLU HG2 H 2.316 0.020 1 102 1905 13 GLU HG3 H 2.316 0.020 1 103 1905 13 GLU CA C 57.091 0.3 1 104 1905 13 GLU CB C 29.941 0.3 1 105 1905 13 GLU CG C 36.161 0.3 1 106 1905 13 GLU N N 123.241 0.3 1 107 1906 14 THR H H 8.249 0.020 1 108 1906 14 THR HA H 4.352 0.020 1 109 1906 14 THR HB H 4.247 0.020 1 110 1906 14 THR HG2 H 1.229 0.020 1 111 1906 14 THR CA C 62.605 0.3 1 112 1906 14 THR CB C 69.616 0.3 1 113 1906 14 THR CG2 C 21.681 0.3 1 114 1906 14 THR N N 115.330 0.3 1 115 1907 15 ALA H H 8.400 0.020 1 116 1907 15 ALA HA H 4.253 0.020 1 117 1907 15 ALA HB H 1.438 0.020 1 118 1907 15 ALA CA C 53.506 0.3 1 119 1907 15 ALA CB C 18.652 0.3 1 120 1907 15 ALA N N 126.015 0.3 1 121 1908 16 ASP H H 8.386 0.020 1 122 1908 16 ASP HA H 4.510 0.020 1 123 1908 16 ASP HB2 H 2.701 0.020 1 124 1908 16 ASP HB3 H 2.701 0.020 1 125 1908 16 ASP CA C 55.068 0.3 1 126 1908 16 ASP CB C 40.908 0.3 1 127 1908 16 ASP N N 119.165 0.3 1 128 1909 17 ALA H H 8.220 0.020 1 129 1909 17 ALA HA H 4.162 0.020 1 130 1909 17 ALA HB H 1.478 0.020 1 131 1909 17 ALA CA C 53.782 0.3 1 132 1909 17 ALA CB C 18.544 0.3 1 133 1909 17 ALA N N 123.625 0.3 1 134 1910 18 MET H H 8.268 0.020 1 135 1910 18 MET HA H 4.382 0.020 1 136 1910 18 MET HB2 H 2.105 0.020 1 137 1910 18 MET HB3 H 2.105 0.020 1 138 1910 18 MET HG2 H 2.587 0.020 1 139 1910 18 MET HG3 H 2.587 0.020 1 140 1910 18 MET CA C 56.311 0.3 1 141 1910 18 MET CB C 32.307 0.3 1 142 1910 18 MET CG C 31.662 0.3 1 143 1910 18 MET N N 117.667 0.3 1 144 1911 19 ASN H H 8.269 0.020 1 145 1911 19 ASN HA H 4.650 0.020 1 146 1911 19 ASN HB2 H 2.859 0.020 1 147 1911 19 ASN HB3 H 2.859 0.020 1 148 1911 19 ASN CA C 53.874 0.3 1 149 1911 19 ASN CB C 38.401 0.3 1 150 1911 19 ASN N N 118.702 0.3 1 151 1912 20 ARG H H 8.266 0.020 1 152 1912 20 ARG HA H 4.276 0.020 1 153 1912 20 ARG HB2 H 1.863 0.020 1 154 1912 20 ARG HB3 H 1.863 0.020 1 155 1912 20 ARG CA C 57.091 0.3 1 156 1912 20 ARG CB C 30.049 0.3 1 157 1912 20 ARG CG C 27.146 0.3 1 158 1912 20 ARG CD C 43.274 0.3 1 159 1912 20 ARG N N 121.086 0.3 1 160 1913 21 GLU H H 8.366 0.020 1 161 1913 21 GLU HA H 4.276 0.020 1 162 1913 21 GLU HB2 H 2.044 0.020 1 163 1913 21 GLU HB3 H 2.044 0.020 1 164 1913 21 GLU HG2 H 2.316 0.020 1 165 1913 21 GLU HG3 H 2.316 0.020 1 166 1913 21 GLU CA C 57.137 0.3 1 167 1913 21 GLU CB C 29.834 0.3 1 168 1913 21 GLU CG C 36.070 0.3 1 169 1913 21 GLU N N 121.367 0.3 1 170 1914 22 VAL H H 8.263 0.020 1 171 1914 22 VAL HA H 4.050 0.020 1 172 1914 22 VAL HB H 2.165 0.020 1 173 1914 22 VAL HG1 H 0.989 0.020 1 174 1914 22 VAL HG2 H 0.989 0.020 1 175 1914 22 VAL CA C 63.478 0.3 1 176 1914 22 VAL CB C 32.199 0.3 1 177 1914 22 VAL CG1 C 20.971 0.3 1 178 1914 22 VAL CG2 C 20.971 0.3 1 179 1914 22 VAL N N 121.066 0.3 1 180 1915 23 SER H H 8.430 0.020 1 181 1915 23 SER HA H 4.404 0.020 1 182 1915 23 SER HB2 H 3.929 0.020 1 183 1915 23 SER HB3 H 3.929 0.020 1 184 1915 23 SER CA C 59.205 0.3 1 185 1915 23 SER CB C 63.240 0.3 1 186 1915 23 SER N N 118.239 0.3 1 187 1916 24 SER H H 8.356 0.020 1 188 1916 24 SER HA H 4.404 0.020 1 189 1916 24 SER HB2 H 3.960 0.020 1 190 1916 24 SER HB3 H 3.960 0.020 1 191 1916 24 SER CA C 59.159 0.3 1 192 1916 24 SER CB C 63.487 0.3 1 193 1916 24 SER N N 118.033 0.3 1 194 1917 25 LEU H H 8.166 0.020 1 195 1917 25 LEU HA H 4.291 0.020 1 196 1917 25 LEU HB2 H 1.682 0.020 1 197 1917 25 LEU HB3 H 1.682 0.020 1 198 1917 25 LEU HG H 1.622 0.020 1 199 1917 25 LEU HD1 H 0.928 0.020 1 200 1917 25 LEU HD2 H 0.928 0.020 1 201 1917 25 LEU CA C 56.125 0.3 1 202 1917 25 LEU CB C 41.768 0.3 1 203 1917 25 LEU CG C 26.823 0.3 1 204 1917 25 LEU CD1 C 24.673 0.3 1 205 1917 25 LEU CD2 C 23.275 0.3 1 206 1917 25 LEU N N 123.341 0.3 1 207 1918 26 LYS H H 8.161 0.020 1 208 1918 26 LYS HA H 4.186 0.020 1 209 1918 26 LYS HB2 H 1.818 0.020 1 210 1918 26 LYS HB3 H 1.818 0.020 1 211 1918 26 LYS HG2 H 1.426 0.020 1 212 1918 26 LYS HG3 H 1.426 0.020 1 213 1918 26 LYS CA C 57.228 0.3 1 214 1918 26 LYS CB C 32.307 0.3 1 215 1918 26 LYS CG C 24.780 0.3 1 216 1918 26 LYS CD C 28.974 0.3 1 217 1918 26 LYS CE C 41.983 0.3 1 218 1918 26 LYS N N 120.149 0.3 1 219 1919 27 ASN H H 8.234 0.020 1 220 1919 27 ASN HA H 4.653 0.020 1 221 1919 27 ASN HB2 H 2.829 0.020 1 222 1919 27 ASN HB3 H 2.829 0.020 1 223 1919 27 ASN CA C 53.644 0.3 1 224 1919 27 ASN CB C 38.435 0.3 1 225 1919 27 ASN N N 118.297 0.3 1 226 1920 28 LYS H H 8.220 0.020 1 227 1920 28 LYS HA H 4.246 0.020 1 228 1920 28 LYS HB2 H 1.833 0.020 1 229 1920 28 LYS HB3 H 1.833 0.020 1 230 1920 28 LYS HG2 H 1.456 0.020 1 231 1920 28 LYS HG3 H 1.456 0.020 1 232 1920 28 LYS CA C 56.999 0.3 1 233 1920 28 LYS CB C 32.629 0.3 1 234 1920 28 LYS CG C 24.780 0.3 1 235 1920 28 LYS CD C 28.974 0.3 1 236 1920 28 LYS CE C 41.983 0.3 1 237 1920 28 LYS N N 121.412 0.3 1 238 1921 29 LEU H H 8.205 0.020 1 239 1921 29 LEU HA H 4.322 0.020 1 240 1921 29 LEU HB2 H 1.652 0.020 1 241 1921 29 LEU HB3 H 1.652 0.020 1 242 1921 29 LEU HD1 H 0.883 0.020 1 243 1921 29 LEU HD2 H 0.883 0.020 1 244 1921 29 LEU CA C 55.344 0.3 1 245 1921 29 LEU CB C 42.091 0.3 1 246 1921 29 LEU CG C 26.823 0.3 1 247 1921 29 LEU CD1 C 24.780 0.3 1 248 1921 29 LEU CD2 C 23.275 0.3 1 249 1921 29 LEU N N 122.031 0.3 1 250 1922 30 ARG H H 8.337 0.020 1 251 1922 30 ARG HA H 4.337 0.020 1 252 1922 30 ARG HB2 H 1.818 0.020 1 253 1922 30 ARG HB3 H 1.818 0.020 1 254 1922 30 ARG HG2 H 1.667 0.020 1 255 1922 30 ARG HG3 H 1.667 0.020 1 256 1922 30 ARG CA C 55.988 0.3 1 257 1922 30 ARG CB C 30.479 0.3 1 258 1922 30 ARG CG C 26.931 0.3 1 259 1922 30 ARG CD C 43.274 0.3 1 260 1922 30 ARG N N 122.170 0.3 1 261 1923 31 ARG H H 8.497 0.020 1 262 1923 31 ARG HA H 4.306 0.020 1 263 1923 31 ARG HB2 H 1.863 0.020 1 264 1923 31 ARG HB3 H 1.863 0.020 1 265 1923 31 ARG HG2 H 1.758 0.020 1 266 1923 31 ARG HG3 H 1.758 0.020 1 267 1923 31 ARG HD2 H 3.281 0.020 1 268 1923 31 ARG HD3 H 3.281 0.020 1 269 1923 31 ARG CA C 56.631 0.3 1 270 1923 31 ARG CB C 30.479 0.3 1 271 1923 31 ARG CG C 26.931 0.3 1 272 1923 31 ARG N N 122.923 0.3 1 273 1924 32 GLY H H 8.572 0.020 1 274 1924 32 GLY HA2 H 3.955 0.020 1 275 1924 32 GLY HA3 H 3.955 0.020 1 276 1924 32 GLY CA C 45.209 0.3 1 277 1924 32 GLY N N 110.311 0.3 1 278 1925 33 ASP H H 8.308 0.020 1 279 1925 33 ASP HA H 4.579 0.020 1 280 1925 33 ASP HB2 H 2.648 0.020 1 281 1925 33 ASP HB3 H 2.648 0.020 1 282 1925 33 ASP CA C 54.149 0.3 1 283 1925 33 ASP CB C 41.016 0.3 1 284 1925 33 ASP N N 120.155 0.3 1 285 1926 34 LEU H H 8.206 0.020 1 286 1926 34 LEU HA H 4.593 0.020 1 287 1926 34 LEU HB2 H 1.577 0.020 1 288 1926 34 LEU HB3 H 1.577 0.020 1 289 1926 34 LEU HG H 1.441 0.020 1 290 1926 34 LEU HD1 H 0.928 0.020 1 291 1926 34 LEU HD2 H 0.928 0.020 1 292 1926 34 LEU CA C 53.000 0.3 1 293 1926 34 LEU CB C 41.553 0.3 1 294 1926 34 LEU N N 123.246 0.3 1 295 1927 35 PRO HA H 4.368 0.020 1 296 1927 35 PRO HD2 H 3.799 0.020 2 297 1927 35 PRO HD3 H 3.601 0.020 2 298 1927 35 PRO CA C 63.019 0.3 1 299 1927 35 PRO CB C 31.769 0.3 1 300 1927 35 PRO CG C 27.146 0.3 1 301 1927 35 PRO CD C 50.262 0.3 1 302 1928 36 PHE H H 8.317 0.020 1 303 1928 36 PHE HA H 4.593 0.020 1 304 1928 36 PHE HB2 H 3.055 0.020 1 305 1928 36 PHE HB3 H 3.055 0.020 1 306 1928 36 PHE CA C 57.642 0.3 1 307 1928 36 PHE CB C 39.510 0.3 1 308 1928 36 PHE N N 120.905 0.3 1 309 1929 37 VAL H H 8.071 0.020 1 310 1929 37 VAL HA H 4.020 0.020 1 311 1929 37 VAL HB H 1.909 0.020 1 312 1929 37 VAL HG1 H 0.853 0.020 1 313 1929 37 VAL HG2 H 0.853 0.020 1 314 1929 37 VAL CA C 61.732 0.3 1 315 1929 37 VAL CB C 32.844 0.3 1 316 1929 37 VAL CG1 C 20.802 0.3 1 317 1929 37 VAL CG2 C 20.802 0.3 1 318 1929 37 VAL N N 124.623 0.3 1 319 1930 38 VAL H H 8.338 0.020 1 320 1930 38 VAL HA H 4.239 0.020 1 321 1930 38 VAL HB H 2.044 0.020 1 322 1930 38 VAL HG1 H 1.034 0.020 1 323 1930 38 VAL HG2 H 1.034 0.020 1 324 1930 38 VAL CA C 60.078 0.3 1 325 1930 38 VAL CB C 32.199 0.3 1 326 1930 38 VAL N N 127.146 0.3 1 327 1931 39 PRO HD2 H 3.944 0.020 2 328 1931 39 PRO HD3 H 3.716 0.020 2 329 1931 39 PRO CA C 62.973 0.3 1 330 1931 39 PRO CB C 32.092 0.3 1 331 1931 39 PRO CG C 27.361 0.3 1 332 1931 39 PRO CD C 51.015 0.3 1 333 1932 40 ARG H H 8.494 0.020 1 334 1932 40 ARG HA H 4.261 0.020 1 335 1932 40 ARG HB2 H 1.788 0.020 1 336 1932 40 ARG HB3 H 1.788 0.020 1 337 1932 40 ARG HD2 H 3.175 0.020 1 338 1932 40 ARG HD3 H 3.175 0.020 1 339 1932 40 ARG CA C 56.171 0.3 1 340 1932 40 ARG CB C 30.586 0.3 1 341 1932 40 ARG CG C 26.931 0.3 1 342 1932 40 ARG CD C 43.274 0.3 1 343 1932 40 ARG N N 122.170 0.3 1 344 1933 41 ARG H H 8.553 0.020 1 345 1933 41 ARG HA H 4.322 0.020 1 346 1933 41 ARG HB2 H 1.818 0.020 1 347 1933 41 ARG HB3 H 1.818 0.020 1 348 1933 41 ARG HG2 H 1.652 0.020 1 349 1933 41 ARG HG3 H 1.652 0.020 1 350 1933 41 ARG CA C 55.943 0.3 1 351 1933 41 ARG CB C 30.586 0.3 1 352 1933 41 ARG CG C 26.931 0.3 1 353 1933 41 ARG CD C 43.274 0.3 1 354 1933 41 ARG N N 123.152 0.3 1 355 1934 42 MET H H 8.566 0.020 1 356 1934 42 MET HA H 4.472 0.020 1 357 1934 42 MET HB2 H 2.029 0.020 1 358 1934 42 MET HB3 H 2.029 0.020 1 359 1934 42 MET HG2 H 2.587 0.020 1 360 1934 42 MET HG3 H 2.587 0.020 1 361 1934 42 MET CA C 55.023 0.3 1 362 1934 42 MET CB C 32.844 0.3 1 363 1934 42 MET CG C 31.877 0.3 1 364 1934 42 MET N N 122.784 0.3 1 365 1935 43 ALA H H 8.457 0.020 1 366 1935 43 ALA HA H 4.295 0.020 1 367 1935 43 ALA HB H 1.411 0.020 1 368 1935 43 ALA CA C 52.357 0.3 1 369 1935 43 ALA CB C 19.082 0.3 1 370 1935 43 ALA N N 126.190 0.3 1 371 1936 44 ARG H H 8.458 0.020 1 372 1936 44 ARG HA H 4.306 0.020 1 373 1936 44 ARG HB2 H 1.773 0.020 1 374 1936 44 ARG HB3 H 1.773 0.020 1 375 1936 44 ARG CA C 56.034 0.3 1 376 1936 44 ARG CB C 30.694 0.3 1 377 1936 44 ARG CG C 26.823 0.3 1 378 1936 44 ARG CD C 43.274 0.3 1 379 1936 44 ARG N N 121.518 0.3 1 380 1937 45 LYS H H 8.137 0.020 1 381 1937 45 LYS HA H 4.141 0.020 1 382 1937 45 LYS HB2 H 1.773 0.020 1 383 1937 45 LYS HB3 H 1.773 0.020 1 384 1937 45 LYS HG2 H 1.396 0.020 1 385 1937 45 LYS HG3 H 1.396 0.020 1 386 1937 45 LYS CA C 57.780 0.3 1 387 1937 45 LYS CB C 33.382 0.3 1 388 1937 45 LYS N N 128.443 0.3 1 stop_ save_