data_30071 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Calcium-loaded EF-hand domain of L-plastin ; _BMRB_accession_number 30071 _BMRB_flat_file_name bmr30071.str _Entry_type original _Submission_date 2016-05-02 _Accession_date 2016-05-02 _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 Ishida Hiroaki . . 2 Jensen K. V. . 3 Woodman G. W. . 4 Hyndman Eric M. . 5 Vogel Hans J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 94 "13C chemical shifts" 284 "15N chemical shifts" 95 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-04-13 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 30072 'Calcium-free EF-hand domain of L-plastin' stop_ _Original_release_date 2016-05-24 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The Calcium-Dependent Switch Helix of L-Plastin Regulates Actin Bundling. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28145401 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ishida Hiroaki . . 2 Jensen Katharine V. . 3 Woodman Andrew G. . 4 Hyndman 'M. Eric' E. . 5 Vogel Hans J. . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_name_full 'Scientific reports' _Journal_volume 7 _Journal_issue . _Journal_ISSN 2045-2322 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 40662 _Page_last 40662 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Plastin-2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 'CALCIUM ION' $entity_CA 'CALCIUM ION' $entity_CA stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Plastin-2 _Molecular_mass 10968.452 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 97 _Mol_residue_sequence ; MARGSVSDEEMMELREAFAK VDTDGNGYISFNELNDLFKA ACLPLPGYRVREITENLMAT GDLDQDGRISFDEFIKIFHG LKSTDVAKTFRKAINKK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ALA 3 3 ARG 4 4 GLY 5 5 SER 6 6 VAL 7 7 SER 8 8 ASP 9 9 GLU 10 10 GLU 11 11 MET 12 12 MET 13 13 GLU 14 14 LEU 15 15 ARG 16 16 GLU 17 17 ALA 18 18 PHE 19 19 ALA 20 20 LYS 21 21 VAL 22 22 ASP 23 23 THR 24 24 ASP 25 25 GLY 26 26 ASN 27 27 GLY 28 28 TYR 29 29 ILE 30 30 SER 31 31 PHE 32 32 ASN 33 33 GLU 34 34 LEU 35 35 ASN 36 36 ASP 37 37 LEU 38 38 PHE 39 39 LYS 40 40 ALA 41 41 ALA 42 42 CYS 43 43 LEU 44 44 PRO 45 45 LEU 46 46 PRO 47 47 GLY 48 48 TYR 49 49 ARG 50 50 VAL 51 51 ARG 52 52 GLU 53 53 ILE 54 54 THR 55 55 GLU 56 56 ASN 57 57 LEU 58 58 MET 59 59 ALA 60 60 THR 61 61 GLY 62 62 ASP 63 63 LEU 64 64 ASP 65 65 GLN 66 66 ASP 67 67 GLY 68 68 ARG 69 69 ILE 70 70 SER 71 71 PHE 72 72 ASP 73 73 GLU 74 74 PHE 75 75 ILE 76 76 LYS 77 77 ILE 78 78 PHE 79 79 HIS 80 80 GLY 81 81 LEU 82 82 LYS 83 83 SER 84 84 THR 85 85 ASP 86 86 VAL 87 87 ALA 88 88 LYS 89 89 THR 90 90 PHE 91 91 ARG 92 92 LYS 93 93 ALA 94 94 ILE 95 95 ASN 96 96 LYS 97 97 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type NON-POLYMER _Name_common 'CALCIUM ION' _BMRB_code CA _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 human 9606 Eukaryota Metazoa Homo sapiens 'LCP1, PLS2' 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 $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1.0 mM [U-98% 15N] EF-hand domain of L-plastin, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-98% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.5 mM [U-99% 13C; U-98% 15N] EF-hand domain of L-plastin, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-99% 13C; U-98% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '0.5 mM [U-99% 13C; U-98% 15N] EF-hand domain of L-plastin, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-99% 13C; U-98% 15N]' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 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' 100 . mM pH 6.8 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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 . loop_ _Software_label $software_2 stop_ loop_ _Experiment_label '3D HNCACB' '3D CBCA(CO)NH' '3D HN(CA)CO' '3D HNCO' '3D HNCA' '3D HN(CO)CA' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 MET C C 175.683 . . 2 1 1 MET CA C 55.243 . . 3 1 1 MET CB C 32.773 . . 4 1 1 MET N N 121.911 . . 5 2 2 ALA H H 8.393 . . 6 2 2 ALA C C 177.720 . . 7 2 2 ALA CA C 52.565 . . 8 2 2 ALA CB C 19.120 . . 9 2 2 ALA N N 125.648 . . 10 3 3 ARG H H 8.409 . . 11 3 3 ARG C C 176.874 . . 12 3 3 ARG CA C 56.370 . . 13 3 3 ARG CB C 30.666 . . 14 3 3 ARG N N 120.663 . . 15 4 4 GLY H H 8.511 . . 16 4 4 GLY C C 174.086 . . 17 4 4 GLY CA C 45.285 . . 18 4 4 GLY N N 110.307 . . 19 5 5 SER H H 8.222 . . 20 5 5 SER C C 173.990 . . 21 5 5 SER CA C 58.401 . . 22 5 5 SER CB C 64.024 . . 23 5 5 SER N N 115.737 . . 24 6 6 VAL H H 8.035 . . 25 6 6 VAL C C 176.018 . . 26 6 6 VAL CA C 61.669 . . 27 6 6 VAL CB C 32.947 . . 28 6 6 VAL N N 121.518 . . 29 7 7 SER H H 8.974 . . 30 7 7 SER C C 174.627 . . 31 7 7 SER CA C 57.455 . . 32 7 7 SER CB C 65.200 . . 33 7 7 SER N N 123.144 . . 34 8 8 ASP H H 8.943 . . 35 8 8 ASP C C 178.822 . . 36 8 8 ASP CA C 57.535 . . 37 8 8 ASP CB C 40.074 . . 38 8 8 ASP N N 121.970 . . 39 9 9 GLU H H 8.869 . . 40 9 9 GLU C C 179.213 . . 41 9 9 GLU CA C 60.184 . . 42 9 9 GLU CB C 29.154 . . 43 9 9 GLU N N 120.313 . . 44 10 10 GLU H H 8.026 . . 45 10 10 GLU C C 179.081 . . 46 10 10 GLU CA C 59.011 . . 47 10 10 GLU CB C 29.614 . . 48 10 10 GLU N N 121.837 . . 49 11 11 MET H H 8.646 . . 50 11 11 MET C C 178.477 . . 51 11 11 MET CA C 57.478 . . 52 11 11 MET CB C 30.755 . . 53 11 11 MET N N 119.447 . . 54 12 12 MET H H 7.991 . . 55 12 12 MET C C 178.839 . . 56 12 12 MET CA C 58.936 . . 57 12 12 MET CB C 31.924 . . 58 12 12 MET N N 118.538 . . 59 13 13 GLU H H 7.765 . . 60 13 13 GLU C C 179.982 . . 61 13 13 GLU CA C 59.559 . . 62 13 13 GLU CB C 29.365 . . 63 13 13 GLU N N 120.250 . . 64 14 14 LEU H H 8.661 . . 65 14 14 LEU C C 179.355 . . 66 14 14 LEU CA C 58.342 . . 67 14 14 LEU CB C 41.949 . . 68 14 14 LEU N N 121.199 . . 69 15 15 ARG H H 8.731 . . 70 15 15 ARG C C 179.391 . . 71 15 15 ARG CA C 59.923 . . 72 15 15 ARG CB C 29.787 . . 73 15 15 ARG N N 120.426 . . 74 16 16 GLU H H 7.889 . . 75 16 16 GLU C C 178.803 . . 76 16 16 GLU CA C 56.313 . . 77 16 16 GLU CB C 29.496 . . 78 16 16 GLU N N 120.051 . . 79 17 17 ALA H H 8.219 . . 80 17 17 ALA C C 178.461 . . 81 17 17 ALA CA C 55.009 . . 82 17 17 ALA CB C 18.401 . . 83 17 17 ALA N N 122.350 . . 84 18 18 PHE H H 8.543 . . 85 18 18 PHE C C 177.733 . . 86 18 18 PHE CA C 61.893 . . 87 18 18 PHE CB C 39.723 . . 88 18 18 PHE N N 118.002 . . 89 19 19 ALA H H 7.793 . . 90 19 19 ALA C C 178.788 . . 91 19 19 ALA CA C 54.285 . . 92 19 19 ALA CB C 18.144 . . 93 19 19 ALA N N 118.786 . . 94 20 20 LYS H H 7.310 . . 95 20 20 LYS C C 176.741 . . 96 20 20 LYS CA C 58.541 . . 97 20 20 LYS CB C 32.653 . . 98 20 20 LYS N N 114.986 . . 99 21 21 VAL H H 7.178 . . 100 21 21 VAL C C 177.052 . . 101 21 21 VAL CA C 62.915 . . 102 21 21 VAL CB C 32.555 . . 103 21 21 VAL N N 116.134 . . 104 22 22 ASP H H 7.795 . . 105 22 22 ASP C C 177.048 . . 106 22 22 ASP CA C 52.547 . . 107 22 22 ASP CB C 39.289 . . 108 22 22 ASP N N 118.981 . . 109 23 23 THR H H 8.130 . . 110 23 23 THR C C 176.968 . . 111 23 23 THR CA C 65.170 . . 112 23 23 THR CB C 68.728 . . 113 23 23 THR N N 118.955 . . 114 24 24 ASP H H 8.183 . . 115 24 24 ASP C C 177.821 . . 116 24 24 ASP CA C 53.190 . . 117 24 24 ASP CB C 39.421 . . 118 24 24 ASP N N 117.589 . . 119 25 25 GLY H H 7.760 . . 120 25 25 GLY C C 175.137 . . 121 25 25 GLY CA C 47.044 . . 122 25 25 GLY N N 109.148 . . 123 26 26 ASN H H 8.400 . . 124 26 26 ASN C C 176.282 . . 125 26 26 ASN CA C 52.556 . . 126 26 26 ASN CB C 37.977 . . 127 26 26 ASN N N 119.431 . . 128 27 27 GLY H H 10.403 . . 129 27 27 GLY C C 172.223 . . 130 27 27 GLY CA C 45.248 . . 131 27 27 GLY N N 112.441 . . 132 28 28 TYR H H 7.701 . . 133 28 28 TYR C C 174.813 . . 134 28 28 TYR CA C 56.398 . . 135 28 28 TYR CB C 43.546 . . 136 28 28 TYR N N 115.014 . . 137 29 29 ILE H H 10.119 . . 138 29 29 ILE C C 175.597 . . 139 29 29 ILE CA C 60.760 . . 140 29 29 ILE CB C 39.345 . . 141 29 29 ILE N N 127.057 . . 142 30 30 SER H H 9.342 . . 143 30 30 SER C C 175.005 . . 144 30 30 SER CA C 55.984 . . 145 30 30 SER CB C 66.302 . . 146 30 30 SER N N 124.594 . . 147 31 31 PHE H H 9.545 . . 148 31 31 PHE C C 177.841 . . 149 31 31 PHE CA C 62.548 . . 150 31 31 PHE CB C 39.032 . . 151 31 31 PHE N N 122.274 . . 152 32 32 ASN H H 8.821 . . 153 32 32 ASN C C 177.402 . . 154 32 32 ASN CA C 56.578 . . 155 32 32 ASN CB C 37.424 . . 156 32 32 ASN N N 116.163 . . 157 33 33 GLU H H 7.738 . . 158 33 33 GLU C C 180.733 . . 159 33 33 GLU CA C 56.433 . . 160 33 33 GLU CB C 29.204 . . 161 33 33 GLU N N 120.221 . . 162 34 34 LEU H H 8.186 . . 163 34 34 LEU C C 177.721 . . 164 34 34 LEU CA C 57.804 . . 165 34 34 LEU CB C 42.193 . . 166 34 34 LEU N N 122.463 . . 167 35 35 ASN H H 8.390 . . 168 35 35 ASN C C 178.250 . . 169 35 35 ASN CA C 56.966 . . 170 35 35 ASN CB C 33.146 . . 171 35 35 ASN N N 117.699 . . 172 36 36 ASP H H 8.732 . . 173 36 36 ASP C C 178.833 . . 174 36 36 ASP CA C 57.514 . . 175 36 36 ASP CB C 40.083 . . 176 36 36 ASP N N 120.222 . . 177 37 37 LEU H H 7.659 . . 178 37 37 LEU C C 179.072 . . 179 37 37 LEU CA C 57.857 . . 180 37 37 LEU CB C 41.174 . . 181 37 37 LEU N N 122.105 . . 182 38 38 PHE H H 7.845 . . 183 38 38 PHE C C 178.970 . . 184 38 38 PHE CA C 62.923 . . 185 38 38 PHE CB C 38.968 . . 186 38 38 PHE N N 116.297 . . 187 39 39 LYS H H 8.570 . . 188 39 39 LYS C C 178.968 . . 189 39 39 LYS CA C 59.752 . . 190 39 39 LYS CB C 32.386 . . 191 39 39 LYS N N 121.570 . . 192 40 40 ALA H H 7.867 . . 193 40 40 ALA C C 178.879 . . 194 40 40 ALA CA C 53.789 . . 195 40 40 ALA CB C 18.392 . . 196 40 40 ALA N N 120.405 . . 197 41 41 ALA H H 7.794 . . 198 41 41 ALA C C 176.691 . . 199 41 41 ALA CA C 53.775 . . 200 41 41 ALA CB C 19.119 . . 201 41 41 ALA N N 118.970 . . 202 42 42 CYS H H 7.788 . . 203 42 42 CYS C C 175.097 . . 204 42 42 CYS CA C 59.714 . . 205 42 42 CYS CB C 25.548 . . 206 42 42 CYS N N 112.190 . . 207 43 43 LEU H H 9.095 . . 208 43 43 LEU C C 177.293 . . 209 43 43 LEU CA C 53.534 . . 210 43 43 LEU CB C 40.568 . . 211 43 43 LEU N N 120.825 . . 212 44 44 PRO C C 175.104 . . 213 44 44 PRO CA C 62.576 . . 214 44 44 PRO CB C 28.147 . . 215 45 45 LEU H H 8.037 . . 216 45 45 LEU C C 174.093 . . 217 45 45 LEU CA C 51.413 . . 218 45 45 LEU CB C 45.576 . . 219 45 45 LEU N N 123.566 . . 220 46 46 PRO C C 178.099 . . 221 46 46 PRO CA C 62.159 . . 222 46 46 PRO CB C 32.531 . . 223 47 47 GLY H H 8.995 . . 224 47 47 GLY C C 175.881 . . 225 47 47 GLY CA C 47.886 . . 226 47 47 GLY N N 111.415 . . 227 48 48 TYR H H 8.370 . . 228 48 48 TYR C C 177.192 . . 229 48 48 TYR CA C 59.518 . . 230 48 48 TYR CB C 36.522 . . 231 48 48 TYR N N 117.883 . . 232 49 49 ARG H H 6.768 . . 233 49 49 ARG C C 177.747 . . 234 49 49 ARG CA C 56.138 . . 235 49 49 ARG CB C 29.214 . . 236 49 49 ARG N N 122.536 . . 237 50 50 VAL H H 7.558 . . 238 50 50 VAL C C 177.926 . . 239 50 50 VAL CA C 67.307 . . 240 50 50 VAL CB C 31.247 . . 241 50 50 VAL N N 120.803 . . 242 51 51 ARG H H 7.866 . . 243 51 51 ARG C C 177.698 . . 244 51 51 ARG CA C 59.302 . . 245 51 51 ARG CB C 29.309 . . 246 51 51 ARG N N 119.663 . . 247 52 52 GLU H H 7.525 . . 248 52 52 GLU C C 179.472 . . 249 52 52 GLU CA C 59.436 . . 250 52 52 GLU CB C 30.101 . . 251 52 52 GLU N N 118.542 . . 252 53 53 ILE H H 8.156 . . 253 53 53 ILE C C 177.835 . . 254 53 53 ILE CA C 65.408 . . 255 53 53 ILE CB C 37.795 . . 256 53 53 ILE N N 120.231 . . 257 54 54 THR H H 8.083 . . 258 54 54 THR C C 176.772 . . 259 54 54 THR CA C 67.100 . . 260 54 54 THR CB C 68.197 . . 261 54 54 THR N N 114.843 . . 262 55 55 GLU H H 8.436 . . 263 55 55 GLU C C 179.721 . . 264 55 55 GLU CA C 59.951 . . 265 55 55 GLU CB C 29.310 . . 266 55 55 GLU N N 120.375 . . 267 56 56 ASN H H 8.369 . . 268 56 56 ASN C C 178.251 . . 269 56 56 ASN CA C 56.433 . . 270 56 56 ASN CB C 39.126 . . 271 56 56 ASN N N 119.399 . . 272 57 57 LEU H H 8.649 . . 273 57 57 LEU C C 178.930 . . 274 57 57 LEU CA C 58.126 . . 275 57 57 LEU CB C 41.783 . . 276 57 57 LEU N N 123.328 . . 277 58 58 MET H H 7.878 . . 278 58 58 MET C C 177.761 . . 279 58 58 MET CA C 57.288 . . 280 58 58 MET CB C 30.825 . . 281 58 58 MET N N 117.324 . . 282 59 59 ALA H H 8.202 . . 283 59 59 ALA C C 180.478 . . 284 59 59 ALA CA C 55.069 . . 285 59 59 ALA CB C 18.459 . . 286 59 59 ALA N N 119.679 . . 287 60 60 THR H H 8.110 . . 288 60 60 THR C C 176.035 . . 289 60 60 THR CA C 64.045 . . 290 60 60 THR CB C 69.788 . . 291 60 60 THR N N 109.044 . . 292 61 61 GLY H H 8.385 . . 293 61 61 GLY C C 174.342 . . 294 61 61 GLY CA C 44.961 . . 295 61 61 GLY N N 108.272 . . 296 62 62 ASP H H 8.082 . . 297 62 62 ASP C C 177.070 . . 298 62 62 ASP CA C 53.065 . . 299 62 62 ASP CB C 39.117 . . 300 62 62 ASP N N 118.955 . . 301 63 63 LEU H H 7.895 . . 302 63 63 LEU C C 178.875 . . 303 63 63 LEU CA C 57.256 . . 304 63 63 LEU CB C 42.035 . . 305 63 63 LEU N N 127.054 . . 306 64 64 ASP H H 8.227 . . 307 64 64 ASP C C 175.818 . . 308 64 64 ASP CA C 52.846 . . 309 64 64 ASP CB C 39.258 . . 310 64 64 ASP N N 114.554 . . 311 65 65 GLN H H 7.623 . . 312 65 65 GLN C C 175.374 . . 313 65 65 GLN CA C 57.612 . . 314 65 65 GLN CB C 25.991 . . 315 65 65 GLN N N 113.804 . . 316 66 66 ASP H H 8.709 . . 317 66 66 ASP C C 178.052 . . 318 66 66 ASP CA C 53.089 . . 319 66 66 ASP CB C 40.701 . . 320 66 66 ASP N N 119.007 . . 321 67 67 GLY H H 10.406 . . 322 67 67 GLY C C 172.950 . . 323 67 67 GLY CA C 45.814 . . 324 67 67 GLY N N 113.129 . . 325 68 68 ARG H H 7.978 . . 326 68 68 ARG C C 174.979 . . 327 68 68 ARG CA C 53.814 . . 328 68 68 ARG CB C 33.863 . . 329 68 68 ARG N N 116.732 . . 330 69 69 ILE H H 9.534 . . 331 69 69 ILE C C 176.233 . . 332 69 69 ILE CA C 59.538 . . 333 69 69 ILE CB C 39.610 . . 334 69 69 ILE N N 125.047 . . 335 70 70 SER H H 9.950 . . 336 70 70 SER C C 174.627 . . 337 70 70 SER CA C 57.926 . . 338 70 70 SER CB C 65.206 . . 339 70 70 SER N N 126.539 . . 340 71 71 PHE H H 8.942 . . 341 71 71 PHE C C 176.560 . . 342 71 71 PHE CA C 61.898 . . 343 71 71 PHE CB C 37.971 . . 344 71 71 PHE N N 121.993 . . 345 72 72 ASP H H 8.349 . . 346 72 72 ASP C C 179.437 . . 347 72 72 ASP CA C 57.639 . . 348 72 72 ASP CB C 41.209 . . 349 72 72 ASP N N 116.986 . . 350 73 73 GLU H H 7.706 . . 351 73 73 GLU C C 179.222 . . 352 73 73 GLU CA C 58.753 . . 353 73 73 GLU CB C 29.669 . . 354 73 73 GLU N N 118.464 . . 355 74 74 PHE H H 9.013 . . 356 74 74 PHE C C 176.628 . . 357 74 74 PHE CA C 61.702 . . 358 74 74 PHE CB C 40.138 . . 359 74 74 PHE N N 123.771 . . 360 75 75 ILE H H 8.205 . . 361 75 75 ILE C C 178.364 . . 362 75 75 ILE CA C 65.860 . . 363 75 75 ILE CB C 37.842 . . 364 75 75 ILE N N 117.159 . . 365 76 76 LYS H H 7.171 . . 366 76 76 LYS C C 178.739 . . 367 76 76 LYS CA C 59.325 . . 368 76 76 LYS CB C 32.363 . . 369 76 76 LYS N N 117.232 . . 370 77 77 ILE H H 7.575 . . 371 77 77 ILE C C 176.361 . . 372 77 77 ILE CA C 64.487 . . 373 77 77 ILE CB C 37.980 . . 374 77 77 ILE N N 118.820 . . 375 78 78 PHE H H 7.313 . . 376 78 78 PHE C C 176.212 . . 377 78 78 PHE CA C 60.454 . . 378 78 78 PHE CB C 40.018 . . 379 78 78 PHE N N 115.996 . . 380 79 79 HIS H H 8.262 . . 381 79 79 HIS C C 175.976 . . 382 79 79 HIS CA C 56.656 . . 383 79 79 HIS CB C 31.206 . . 384 79 79 HIS N N 117.355 . . 385 80 80 GLY H H 8.140 . . 386 80 80 GLY C C 174.581 . . 387 80 80 GLY CA C 45.820 . . 388 80 80 GLY N N 109.580 . . 389 81 81 LEU H H 7.991 . . 390 81 81 LEU C C 177.906 . . 391 81 81 LEU CA C 55.502 . . 392 81 81 LEU CB C 41.915 . . 393 81 81 LEU N N 120.547 . . 394 82 82 LYS H H 7.829 . . 395 82 82 LYS C C 176.282 . . 396 82 82 LYS CA C 56.979 . . 397 82 82 LYS CB C 32.824 . . 398 82 82 LYS N N 118.815 . . 399 83 83 SER H H 8.266 . . 400 83 83 SER C C 174.926 . . 401 83 83 SER CA C 58.138 . . 402 83 83 SER CB C 63.390 . . 403 83 83 SER N N 115.449 . . 404 84 84 THR H H 7.993 . . 405 84 84 THR C C 175.317 . . 406 84 84 THR CA C 61.851 . . 407 84 84 THR CB C 71.031 . . 408 84 84 THR N N 114.433 . . 409 85 85 ASP H H 8.783 . . 410 85 85 ASP C C 179.261 . . 411 85 85 ASP CA C 57.607 . . 412 85 85 ASP CB C 40.431 . . 413 85 85 ASP N N 121.983 . . 414 86 86 VAL H H 8.191 . . 415 86 86 VAL C C 177.062 . . 416 86 86 VAL CA C 65.760 . . 417 86 86 VAL CB C 31.424 . . 418 86 86 VAL N N 118.914 . . 419 87 87 ALA H H 7.713 . . 420 87 87 ALA C C 179.982 . . 421 87 87 ALA CA C 55.564 . . 422 87 87 ALA CB C 18.991 . . 423 87 87 ALA N N 123.525 . . 424 88 88 LYS H H 8.097 . . 425 88 88 LYS C C 179.990 . . 426 88 88 LYS CA C 60.158 . . 427 88 88 LYS CB C 32.333 . . 428 88 88 LYS N N 118.008 . . 429 89 89 THR H H 8.162 . . 430 89 89 THR C C 175.659 . . 431 89 89 THR CA C 67.049 . . 432 89 89 THR CB C 68.239 . . 433 89 89 THR N N 118.056 . . 434 90 90 PHE H H 8.483 . . 435 90 90 PHE C C 176.785 . . 436 90 90 PHE CA C 58.036 . . 437 90 90 PHE CB C 39.296 . . 438 90 90 PHE N N 122.165 . . 439 91 91 ARG H H 8.575 . . 440 91 91 ARG C C 177.809 . . 441 91 91 ARG CA C 59.352 . . 442 91 91 ARG CB C 29.806 . . 443 91 91 ARG N N 117.723 . . 444 92 92 LYS H H 7.890 . . 445 92 92 LYS C C 178.764 . . 446 92 92 LYS CA C 59.444 . . 447 92 92 LYS CB C 32.434 . . 448 92 92 LYS N N 118.392 . . 449 93 93 ALA H H 7.985 . . 450 93 93 ALA C C 178.836 . . 451 93 93 ALA CA C 54.867 . . 452 93 93 ALA CB C 17.968 . . 453 93 93 ALA N N 120.515 . . 454 94 94 ILE H H 7.971 . . 455 94 94 ILE C C 177.220 . . 456 94 94 ILE CA C 65.216 . . 457 94 94 ILE CB C 38.384 . . 458 94 94 ILE N N 117.215 . . 459 95 95 ASN H H 7.932 . . 460 95 95 ASN C C 175.604 . . 461 95 95 ASN CA C 54.121 . . 462 95 95 ASN CB C 38.377 . . 463 95 95 ASN N N 116.226 . . 464 96 96 LYS H H 7.529 . . 465 96 96 LYS C C 175.890 . . 466 96 96 LYS CA C 56.618 . . 467 96 96 LYS CB C 32.513 . . 468 96 96 LYS N N 119.665 . . 469 97 97 LYS H H 7.641 . . 470 97 97 LYS C C 181.182 . . 471 97 97 LYS CA C 57.992 . . 472 97 97 LYS CB C 32.831 . . 473 97 97 LYS N N 126.964 . . stop_ save_