data_19236 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone (1H, 15N, CA, CB) assignments of D. crassirhizoma Plastocyanin (Zn) ; _BMRB_accession_number 19236 _BMRB_flat_file_name bmr19236.str _Entry_type original _Submission_date 2013-05-13 _Accession_date 2013-05-13 _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 Guan Jia-Ying . . 2 Ubbink Marcellus . . 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" 195 "15N chemical shifts" 94 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-06-10 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 19247 'Populus nigra Plastocyanin (Zn)' stop_ _Original_release_date 2013-06-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Dynamics in the complex of plastocyanin and tetralysine peptides' _Citation_status 'in preparation' _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 Guan Jia-Ying . . 2 Foester Johannes . . 3 Drijfhout 'Jan Wouter' . . 4 Timmer Monika . . 5 Blok Anneloes . . 6 Ullmann 'G. Matthias' . . 7 Ubbink Marcellus . . 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 . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name plastocyanin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label plastocyanin $plastocyanin zinc $entity_ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_plastocyanin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common plastocyanin _Molecular_mass . _Mol_thiol_state 'free disulfide and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 102 _Mol_residue_sequence ; AKVEVGDEVGNFKFYPDSIT VSAGEAVEFTLVGETGHNIV FDIPAGAPGTVASELKAASM DENDLLSEDEPSFKAKVSTP GTYTFYCTPHKSANMKGTLT VK ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 LYS 3 VAL 4 GLU 5 VAL 6 GLY 7 ASP 8 GLU 9 VAL 10 GLY 11 ASN 12 PHE 13 LYS 14 PHE 15 TYR 16 PRO 17 ASP 18 SER 19 ILE 20 THR 21 VAL 22 SER 23 ALA 24 GLY 25 GLU 26 ALA 27 VAL 28 GLU 29 PHE 30 THR 31 LEU 32 VAL 33 GLY 34 GLU 35 THR 36 GLY 37 HIS 38 ASN 39 ILE 40 VAL 41 PHE 42 ASP 43 ILE 44 PRO 45 ALA 46 GLY 47 ALA 48 PRO 49 GLY 50 THR 51 VAL 52 ALA 53 SER 54 GLU 55 LEU 56 LYS 57 ALA 58 ALA 59 SER 60 MET 61 ASP 62 GLU 63 ASN 64 ASP 65 LEU 66 LEU 67 SER 68 GLU 69 ASP 70 GLU 71 PRO 72 SER 73 PHE 74 LYS 75 ALA 76 LYS 77 VAL 78 SER 79 THR 80 PRO 81 GLY 82 THR 83 TYR 84 THR 85 PHE 86 TYR 87 CYS 88 THR 89 PRO 90 HIS 91 LYS 92 SER 93 ALA 94 ASN 95 MET 96 LYS 97 GLY 98 THR 99 LEU 100 THR 101 VAL 102 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 PDB 1KDI "Reduced Form Of Plastocyanin From Dryopteris Crassirhizoma" 100.00 102 100.00 100.00 5.49e-66 PDB 1KDJ "Oxidized Form Of Plastocyanin From Dryopteris Crassirhizoma" 100.00 102 100.00 100.00 5.49e-66 PDB 2BZ7 "Oxidized And Reduced Structures Of A Mutant Plastocyanin Of Fern" 100.00 102 99.02 99.02 1.02e-64 PDB 2BZC "Oxidized And Reduced Structures Of A Mutant Plastocyanin Of Fern" 100.00 102 99.02 99.02 1.02e-64 SP Q7SIB8 "RecName: Full=Plastocyanin" 100.00 102 100.00 100.00 5.49e-66 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_ZN (ZINC ION)" _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _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 ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $plastocyanin Ferns 97234 Eukaryota Viridiplantae Dryopteris crassirhizoma 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 $plastocyanin 'recombinant technology' . Escherichia coli . pET28c 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 $plastocyanin 2.4 mM '[U-13C; U-15N]' 'sodium phosphate' 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _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_1 save_ save_NMR_spectrometer_expt_1 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'sodium phosphate 10mM' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 . mM pH 6.5 . 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 'Calibrated with water chemical shift in 1H dimension. Indirectly calibrated 13C and 15N with the suggested corresponding chemical shift ratios.' 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 carbon' ppm 54.03 internal indirect . . . 0.2514495 water H 1 protons ppm 4.734 internal direct . . . 1.0 DSS N 15 'methyl carbon' ppm 118.53 internal indirect . . . 0.1013291 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 '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name plastocyanin _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 ALA CA C 51.874 0.1 1 2 1 1 ALA CB C 20.700 0.1 1 3 2 2 LYS H H 8.579 0.01 1 4 2 2 LYS CA C 55.709 0.1 1 5 2 2 LYS CB C 35.283 0.1 1 6 2 2 LYS N N 123.220 0.2 1 7 3 3 VAL H H 8.568 0.01 1 8 3 3 VAL CA C 61.234 0.1 1 9 3 3 VAL CB C 35.987 0.1 1 10 3 3 VAL N N 125.389 0.2 1 11 4 4 GLU H H 9.263 0.01 1 12 4 4 GLU CA C 55.791 0.1 1 13 4 4 GLU CB C 30.830 0.1 1 14 4 4 GLU N N 126.682 0.2 1 15 5 5 VAL H H 9.059 0.01 1 16 5 5 VAL CA C 61.757 0.1 1 17 5 5 VAL CB C 31.834 0.1 1 18 5 5 VAL N N 125.435 0.2 1 19 6 6 GLY H H 8.010 0.01 1 20 6 6 GLY CA C 43.854 0.1 1 21 6 6 GLY N N 112.622 0.2 1 22 7 7 ASP H H 6.938 0.01 1 23 7 7 ASP CA C 52.588 0.1 1 24 7 7 ASP CB C 43.178 0.1 1 25 7 7 ASP N N 109.874 0.2 1 26 8 8 GLU H H 8.921 0.01 1 27 8 8 GLU CA C 59.145 0.1 1 28 8 8 GLU CB C 29.446 0.1 1 29 8 8 GLU N N 116.869 0.2 1 30 9 9 VAL H H 7.414 0.01 1 31 9 9 VAL CA C 62.031 0.1 1 32 9 9 VAL CB C 31.731 0.1 1 33 9 9 VAL N N 113.531 0.2 1 34 10 10 GLY H H 7.838 0.01 1 35 10 10 GLY CA C 45.516 0.1 1 36 10 10 GLY N N 108.929 0.2 1 37 11 11 ASN H H 9.105 0.01 1 38 11 11 ASN CA C 54.455 0.1 1 39 11 11 ASN CB C 39.013 0.1 1 40 11 11 ASN N N 119.074 0.2 1 41 12 12 PHE H H 8.661 0.01 1 42 12 12 PHE CA C 51.909 0.1 1 43 12 12 PHE CB C 34.752 0.1 1 44 12 12 PHE N N 125.571 0.2 1 45 13 13 LYS H H 6.459 0.01 1 46 13 13 LYS CA C 54.330 0.1 1 47 13 13 LYS CB C 38.051 0.1 1 48 13 13 LYS N N 117.379 0.2 1 49 14 14 PHE H H 8.329 0.01 1 50 14 14 PHE CA C 57.373 0.1 1 51 14 14 PHE CB C 41.326 0.1 1 52 14 14 PHE N N 119.624 0.2 1 53 15 15 TYR H H 9.328 0.01 1 54 15 15 TYR CA C 54.807 0.1 1 55 15 15 TYR CB C 41.229 0.1 1 56 15 15 TYR N N 118.424 0.2 1 57 16 16 PRO CA C 63.698 0.1 1 58 16 16 PRO CB C 35.156 0.1 1 59 17 17 ASP H H 7.858 0.01 1 60 17 17 ASP CA C 53.106 0.1 1 61 17 17 ASP CB C 40.296 0.1 1 62 17 17 ASP N N 110.992 0.2 1 63 18 18 SER H H 7.184 0.01 1 64 18 18 SER CA C 56.930 0.1 1 65 18 18 SER CB C 64.350 0.1 1 66 18 18 SER N N 114.542 0.2 1 67 19 19 ILE H H 8.648 0.01 1 68 19 19 ILE CA C 59.993 0.1 1 69 19 19 ILE CB C 42.594 0.1 1 70 19 19 ILE N N 125.056 0.2 1 71 20 20 THR H H 8.468 0.01 1 72 20 20 THR CA C 61.439 0.1 1 73 20 20 THR CB C 70.567 0.1 1 74 20 20 THR N N 124.627 0.2 1 75 21 21 VAL H H 9.123 0.01 1 76 21 21 VAL CA C 58.409 0.1 1 77 21 21 VAL CB C 35.733 0.1 1 78 21 21 VAL N N 119.625 0.2 1 79 22 22 SER H H 8.137 0.01 1 80 22 22 SER CA C 58.036 0.1 1 81 22 22 SER CB C 64.498 0.1 1 82 22 22 SER N N 116.399 0.2 1 83 23 23 ALA H H 8.671 0.01 1 84 23 23 ALA CA C 54.411 0.1 1 85 23 23 ALA CB C 18.252 0.1 1 86 23 23 ALA N N 125.658 0.2 1 87 24 24 GLY H H 8.737 0.01 1 88 24 24 GLY CA C 45.160 0.1 1 89 24 24 GLY N N 113.061 0.2 1 90 25 25 GLU H H 8.116 0.01 1 91 25 25 GLU CA C 55.982 0.1 1 92 25 25 GLU CB C 30.806 0.1 1 93 25 25 GLU N N 123.406 0.2 1 94 26 26 ALA H H 8.496 0.01 1 95 26 26 ALA CA C 51.729 0.1 1 96 26 26 ALA CB C 19.641 0.1 1 97 26 26 ALA N N 127.633 0.2 1 98 27 27 VAL H H 8.923 0.01 1 99 27 27 VAL CA C 61.446 0.1 1 100 27 27 VAL CB C 32.632 0.1 1 101 27 27 VAL N N 122.377 0.2 1 102 28 28 GLU H H 8.439 0.01 1 103 28 28 GLU CA C 54.959 0.1 1 104 28 28 GLU CB C 30.762 0.1 1 105 28 28 GLU N N 126.750 0.2 1 106 29 29 PHE H H 9.439 0.01 1 107 29 29 PHE CA C 57.077 0.1 1 108 29 29 PHE CB C 40.307 0.1 1 109 29 29 PHE N N 127.531 0.2 1 110 30 30 THR H H 8.770 0.01 1 111 30 30 THR CA C 60.838 0.1 1 112 30 30 THR CB C 71.851 0.1 1 113 30 30 THR N N 118.258 0.2 1 114 31 31 LEU H H 9.450 0.01 1 115 31 31 LEU CA C 56.235 0.1 1 116 31 31 LEU CB C 43.711 0.1 1 117 31 31 LEU N N 130.618 0.2 1 118 32 32 VAL H H 8.741 0.01 1 119 32 32 VAL CA C 62.510 0.1 1 120 32 32 VAL CB C 33.332 0.1 1 121 32 32 VAL N N 131.491 0.2 1 122 33 33 GLY H H 8.281 0.01 1 123 33 33 GLY CA C 43.851 0.1 1 124 33 33 GLY N N 112.566 0.2 1 125 34 34 GLU H H 8.001 0.01 1 126 34 34 GLU CA C 57.385 0.1 1 127 34 34 GLU CB C 31.123 0.1 1 128 34 34 GLU N N 114.269 0.2 1 129 35 35 THR H H 7.863 0.01 1 130 35 35 THR CA C 63.054 0.1 1 131 35 35 THR CB C 69.040 0.1 1 132 35 35 THR N N 117.686 0.2 1 133 36 36 GLY H H 8.555 0.01 1 134 36 36 GLY CA C 46.385 0.1 1 135 36 36 GLY N N 112.690 0.2 1 136 37 37 HIS H H 6.583 0.01 1 137 37 37 HIS CA C 55.246 0.1 1 138 37 37 HIS CB C 36.539 0.1 1 139 37 37 HIS N N 116.323 0.2 1 140 38 38 ASN H H 9.500 0.01 1 141 38 38 ASN CA C 51.161 0.1 1 142 38 38 ASN CB C 40.361 0.1 1 143 38 38 ASN N N 123.813 0.2 1 144 39 39 ILE H H 5.992 0.01 1 145 39 39 ILE CA C 61.512 0.1 1 146 39 39 ILE CB C 40.083 0.1 1 147 39 39 ILE N N 112.981 0.2 1 148 40 40 VAL H H 8.705 0.01 1 149 40 40 VAL CA C 61.342 0.1 1 150 40 40 VAL CB C 35.838 0.1 1 151 40 40 VAL N N 125.249 0.2 1 152 41 41 PHE H H 8.264 0.01 1 153 41 41 PHE CA C 58.754 0.1 1 154 41 41 PHE CB C 40.728 0.1 1 155 41 41 PHE N N 123.996 0.2 1 156 42 42 ASP H H 8.822 0.01 1 157 42 42 ASP CA C 54.358 0.1 1 158 42 42 ASP CB C 42.604 0.1 1 159 42 42 ASP N N 122.922 0.2 1 160 43 43 ILE H H 8.468 0.01 1 161 43 43 ILE CA C 58.101 0.1 1 162 43 43 ILE CB C 37.757 0.1 1 163 43 43 ILE N N 125.222 0.2 1 164 44 44 PRO CA C 62.773 0.1 1 165 44 44 PRO CB C 32.417 0.1 1 166 45 45 ALA H H 8.605 0.01 1 167 45 45 ALA CA C 53.681 0.1 1 168 45 45 ALA CB C 18.051 0.1 1 169 45 45 ALA N N 126.706 0.2 1 170 46 46 GLY H H 8.774 0.01 1 171 46 46 GLY CA C 45.312 0.1 1 172 46 46 GLY N N 110.307 0.2 1 173 47 47 ALA H H 7.482 0.01 1 174 47 47 ALA CA C 50.792 0.1 1 175 47 47 ALA CB C 17.413 0.1 1 176 47 47 ALA N N 123.471 0.2 1 177 48 48 PRO CA C 62.402 0.1 1 178 48 48 PRO CB C 32.671 0.1 1 179 49 49 GLY H H 8.886 0.01 1 180 49 49 GLY CA C 47.827 0.1 1 181 49 49 GLY N N 110.922 0.2 1 182 50 50 THR H H 8.037 0.01 1 183 50 50 THR CA C 64.518 0.1 1 184 50 50 THR CB C 67.949 0.1 1 185 50 50 THR N N 112.162 0.2 1 186 51 51 VAL H H 6.966 0.01 1 187 51 51 VAL CA C 65.492 0.1 1 188 51 51 VAL CB C 32.344 0.1 1 189 51 51 VAL N N 124.017 0.2 1 190 52 52 ALA H H 8.233 0.01 1 191 52 52 ALA CA C 56.143 0.1 1 192 52 52 ALA CB C 18.109 0.1 1 193 52 52 ALA N N 122.042 0.2 1 194 53 53 SER H H 8.183 0.01 1 195 53 53 SER CA C 61.867 0.1 1 196 53 53 SER CB C 63.171 0.1 1 197 53 53 SER N N 111.896 0.2 1 198 54 54 GLU H H 7.694 0.01 1 199 54 54 GLU CA C 59.610 0.1 1 200 54 54 GLU CB C 30.326 0.1 1 201 54 54 GLU N N 124.890 0.2 1 202 55 55 LEU H H 8.405 0.01 1 203 55 55 LEU CA C 57.470 0.1 1 204 55 55 LEU CB C 41.496 0.1 1 205 55 55 LEU N N 119.817 0.2 1 206 56 56 LYS H H 8.157 0.01 1 207 56 56 LYS CA C 59.665 0.1 1 208 56 56 LYS CB C 32.202 0.1 1 209 56 56 LYS N N 121.972 0.2 1 210 57 57 ALA H H 7.769 0.01 1 211 57 57 ALA CA C 54.165 0.1 1 212 57 57 ALA CB C 17.972 0.1 1 213 57 57 ALA N N 120.912 0.2 1 214 58 58 ALA H H 7.222 0.01 1 215 58 58 ALA CA C 51.604 0.1 1 216 58 58 ALA CB C 19.403 0.1 1 217 58 58 ALA N N 121.189 0.2 1 218 59 59 SER H H 7.160 0.01 1 219 59 59 SER CA C 58.121 0.1 1 220 59 59 SER CB C 66.676 0.1 1 221 59 59 SER N N 108.325 0.2 1 222 60 60 MET H H 8.485 0.01 1 223 60 60 MET CA C 56.245 0.1 1 224 60 60 MET CB C 34.293 0.1 1 225 60 60 MET N N 123.132 0.2 1 226 61 61 ASP H H 8.565 0.01 1 227 61 61 ASP CA C 55.081 0.1 1 228 61 61 ASP CB C 42.982 0.1 1 229 61 61 ASP N N 120.178 0.2 1 230 62 62 GLU H H 8.453 0.01 1 231 62 62 GLU CA C 59.422 0.1 1 232 62 62 GLU CB C 29.741 0.1 1 233 62 62 GLU N N 123.513 0.2 1 234 63 63 ASN H H 8.658 0.01 1 235 63 63 ASN CA C 53.283 0.1 1 236 63 63 ASN CB C 39.440 0.1 1 237 63 63 ASN N N 115.415 0.2 1 238 64 64 ASP H H 7.591 0.01 1 239 64 64 ASP CA C 53.266 0.1 1 240 64 64 ASP CB C 43.336 0.1 1 241 64 64 ASP N N 121.715 0.2 1 242 65 65 LEU H H 8.001 0.01 1 243 65 65 LEU CA C 54.303 0.1 1 244 65 65 LEU CB C 47.176 0.1 1 245 65 65 LEU N N 117.363 0.2 1 246 66 66 LEU H H 8.305 0.01 1 247 66 66 LEU CA C 55.377 0.1 1 248 66 66 LEU CB C 44.158 0.1 1 249 66 66 LEU N N 121.330 0.2 1 250 67 67 SER H H 8.003 0.01 1 251 67 67 SER CA C 56.810 0.1 1 252 67 67 SER CB C 67.736 0.1 1 253 67 67 SER N N 115.149 0.2 1 254 68 68 GLU H H 8.684 0.01 1 255 68 68 GLU CA C 59.524 0.1 1 256 68 68 GLU CB C 29.627 0.1 1 257 68 68 GLU N N 118.192 0.2 1 258 69 69 ASP H H 7.755 0.01 1 259 69 69 ASP CA C 55.860 0.1 1 260 69 69 ASP CB C 41.608 0.1 1 261 69 69 ASP N N 115.081 0.2 1 262 70 70 GLU H H 7.251 0.01 1 263 70 70 GLU CA C 53.795 0.1 1 264 70 70 GLU CB C 30.182 0.1 1 265 70 70 GLU N N 120.192 0.2 1 266 71 71 PRO CA C 65.226 0.1 1 267 71 71 PRO CB C 33.450 0.1 1 268 72 72 SER H H 7.902 0.01 1 269 72 72 SER CA C 56.899 0.1 1 270 72 72 SER CB C 66.605 0.1 1 271 72 72 SER N N 114.303 0.2 1 272 73 73 PHE H H 9.028 0.01 1 273 73 73 PHE CA C 57.848 0.1 1 274 73 73 PHE CB C 44.444 0.1 1 275 73 73 PHE N N 125.482 0.2 1 276 74 74 LYS H H 7.569 0.01 1 277 74 74 LYS CA C 54.814 0.1 1 278 74 74 LYS CB C 34.761 0.1 1 279 74 74 LYS N N 127.513 0.2 1 280 75 75 ALA H H 8.752 0.01 1 281 75 75 ALA CA C 50.406 0.1 1 282 75 75 ALA CB C 23.601 0.1 1 283 75 75 ALA N N 125.627 0.2 1 284 76 76 LYS H H 8.355 0.01 1 285 76 76 LYS CA C 55.857 0.1 1 286 76 76 LYS CB C 34.507 0.1 1 287 76 76 LYS N N 122.016 0.2 1 288 77 77 VAL H H 8.862 0.01 1 289 77 77 VAL CA C 62.230 0.1 1 290 77 77 VAL CB C 33.583 0.1 1 291 77 77 VAL N N 127.975 0.2 1 292 78 78 SER H H 9.325 0.01 1 293 78 78 SER CA C 59.585 0.1 1 294 78 78 SER CB C 64.549 0.1 1 295 78 78 SER N N 123.005 0.2 1 296 79 79 THR H H 8.148 0.01 1 297 79 79 THR CA C 61.794 0.1 1 298 79 79 THR CB C 68.798 0.1 1 299 79 79 THR N N 123.511 0.2 1 300 80 80 PRO CA C 63.842 0.1 1 301 80 80 PRO CB C 32.467 0.1 1 302 81 81 GLY H H 8.536 0.01 1 303 81 81 GLY CA C 44.788 0.1 1 304 81 81 GLY N N 110.361 0.2 1 305 82 82 THR H H 7.626 0.01 1 306 82 82 THR CA C 62.254 0.1 1 307 82 82 THR CB C 71.008 0.1 1 308 82 82 THR N N 115.145 0.2 1 309 83 83 TYR H H 9.568 0.01 1 310 83 83 TYR CA C 56.602 0.1 1 311 83 83 TYR CB C 42.368 0.1 1 312 83 83 TYR N N 127.963 0.2 1 313 84 84 THR H H 9.607 0.01 1 314 84 84 THR CA C 61.678 0.1 1 315 84 84 THR CB C 71.153 0.1 1 316 84 84 THR N N 119.197 0.2 1 317 85 85 PHE H H 8.087 0.01 1 318 85 85 PHE CA C 54.320 0.1 1 319 85 85 PHE CB C 40.366 0.1 1 320 85 85 PHE N N 121.440 0.2 1 321 86 86 TYR H H 8.614 0.01 1 322 86 86 TYR CA C 56.424 0.1 1 323 86 86 TYR CB C 41.470 0.1 1 324 86 86 TYR N N 115.120 0.2 1 325 87 87 CYS H H 7.105 0.01 1 326 87 87 CYS CA C 57.179 0.1 1 327 87 87 CYS CB C 29.853 0.1 1 328 87 87 CYS N N 120.076 0.2 1 329 88 88 THR H H 9.994 0.01 1 330 88 88 THR CA C 69.997 0.1 1 331 88 88 THR CB C 67.198 0.1 1 332 88 88 THR N N 126.550 0.2 1 333 89 89 PRO CA C 65.039 0.1 1 334 89 89 PRO CB C 31.095 0.1 1 335 90 90 HIS H H 7.458 0.01 1 336 90 90 HIS CA C 57.959 0.1 1 337 90 90 HIS CB C 32.675 0.1 1 338 90 90 HIS N N 114.706 0.2 1 339 91 91 LYS H H 7.903 0.01 1 340 91 91 LYS CA C 61.586 0.1 1 341 91 91 LYS CB C 29.211 0.1 1 342 91 91 LYS N N 127.989 0.2 1 343 92 92 SER CA C 60.289 0.1 1 344 92 92 SER CB C 62.363 0.1 1 345 93 93 ALA H H 7.203 0.01 1 346 93 93 ALA CA C 51.334 0.1 1 347 93 93 ALA CB C 18.545 0.1 1 348 93 93 ALA N N 123.720 0.2 1 349 94 94 ASN H H 8.194 0.01 1 350 94 94 ASN CA C 54.622 0.1 1 351 94 94 ASN CB C 36.961 0.1 1 352 94 94 ASN N N 113.992 0.2 1 353 95 95 MET H H 7.491 0.01 1 354 95 95 MET CA C 56.665 0.1 1 355 95 95 MET CB C 31.085 0.1 1 356 95 95 MET N N 119.682 0.2 1 357 96 96 LYS H H 7.369 0.01 1 358 96 96 LYS CA C 54.224 0.1 1 359 96 96 LYS CB C 37.513 0.1 1 360 96 96 LYS N N 125.538 0.2 1 361 97 97 GLY H H 8.210 0.01 1 362 97 97 GLY CA C 44.211 0.1 1 363 97 97 GLY N N 112.752 0.2 1 364 98 98 THR H H 8.073 0.01 1 365 98 98 THR CA C 61.089 0.1 1 366 98 98 THR CB C 71.568 0.1 1 367 98 98 THR N N 112.849 0.2 1 368 99 99 LEU H H 9.639 0.01 1 369 99 99 LEU CA C 53.019 0.1 1 370 99 99 LEU CB C 46.812 0.1 1 371 99 99 LEU N N 128.843 0.2 1 372 100 100 THR H H 9.383 0.01 1 373 100 100 THR CA C 62.591 0.1 1 374 100 100 THR CB C 69.821 0.1 1 375 100 100 THR N N 126.304 0.2 1 376 101 101 VAL H H 9.299 0.01 1 377 101 101 VAL CA C 60.994 0.1 1 378 101 101 VAL CB C 33.306 0.1 1 379 101 101 VAL N N 128.898 0.2 1 380 102 102 LYS H H 8.779 0.01 1 381 102 102 LYS CA C 57.426 0.1 1 382 102 102 LYS CB C 34.754 0.1 1 383 102 102 LYS N N 133.482 0.2 1 stop_ save_