data_18198 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical Shift Assignment of the PP1 Binding Domain of NIPP1 ; _BMRB_accession_number 18198 _BMRB_flat_file_name bmr18198.str _Entry_type original _Submission_date 2012-01-17 _Accession_date 2012-01-17 _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 O'Connell Nichole E . 2 Nichols Scott . . 3 Peti Wolfgang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 81 "13C chemical shifts" 167 "15N chemical shifts" 81 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-12 update BMRB 'update entry citation' 2012-09-14 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The molecular basis for substrate specificity of the nuclear NIPP1:PP1 holoenzyme.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22940584 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nichols Nichole . . 2 Heroes Scott R. . 3 Beullens Ewald . . 4 Bollen Monique . . 5 Peti Mathieu . . 6 Page Wolfgang . . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 20 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1746 _Page_last 1756 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'NIPP1 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PP1 binding domain' $NIPP1 stop_ _System_molecular_weight 9858.8 _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'NIPP1 144-225' save_ ######################## # Monomeric polymers # ######################## save_NIPP1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NIPP1 _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'Regulatory/targeting subunit of nuclear PP1' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 88 _Mol_residue_sequence ; GAMGASGGEDDELKGLLGLP EEETELDNLTEFNTAHNKRI STLTIEEGNLDIQRPKRKRK NSRVTFSEDDEIINPEDVDP SVGRFRNM ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 138 GLY 2 139 ALA 3 140 MET 4 141 GLY 5 142 ALA 6 143 SER 7 144 GLY 8 145 GLY 9 146 GLU 10 147 ASP 11 148 ASP 12 149 GLU 13 150 LEU 14 151 LYS 15 152 GLY 16 153 LEU 17 154 LEU 18 155 GLY 19 156 LEU 20 157 PRO 21 158 GLU 22 159 GLU 23 160 GLU 24 161 THR 25 162 GLU 26 163 LEU 27 164 ASP 28 165 ASN 29 166 LEU 30 167 THR 31 168 GLU 32 169 PHE 33 170 ASN 34 171 THR 35 172 ALA 36 173 HIS 37 174 ASN 38 175 LYS 39 176 ARG 40 177 ILE 41 178 SER 42 179 THR 43 180 LEU 44 181 THR 45 182 ILE 46 183 GLU 47 184 GLU 48 185 GLY 49 186 ASN 50 187 LEU 51 188 ASP 52 189 ILE 53 190 GLN 54 191 ARG 55 192 PRO 56 193 LYS 57 194 ARG 58 195 LYS 59 196 ARG 60 197 LYS 61 198 ASN 62 199 SER 63 200 ARG 64 201 VAL 65 202 THR 66 203 PHE 67 204 SER 68 205 GLU 69 206 ASP 70 207 ASP 71 208 GLU 72 209 ILE 73 210 ILE 74 211 ASN 75 212 PRO 76 213 GLU 77 214 ASP 78 215 VAL 79 216 ASP 80 217 PRO 81 218 SER 82 219 VAL 83 220 GLY 84 221 ARG 85 222 PHE 86 223 ARG 87 224 ASN 88 225 MET stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 DBJ BAC27653 "unnamed protein product [Mus musculus]" 93.18 306 100.00 100.00 2.35e-48 DBJ BAF84766 "unnamed protein product [Homo sapiens]" 93.18 351 100.00 100.00 6.88e-48 DBJ BAG73611 "protein phosphatase 1, regulatory (inhibitor) subunit 8 [synthetic construct]" 93.18 351 100.00 100.00 6.88e-48 EMBL CAA90625 "NIPP-1, nuclear inhibitor of protein phosphatase-1 [Bos taurus]" 93.18 351 100.00 100.00 5.27e-48 EMBL CAG31586 "hypothetical protein RCJMB04_8f7 [Gallus gallus]" 93.18 354 97.56 100.00 1.64e-46 GB AAD22486 "nuclear inhibitor of phosphatase-1 [Homo sapiens]" 93.18 351 100.00 100.00 6.88e-48 GB AAD24669 "nuclear inhibitor of protein phosphatase-1 alpha [Homo sapiens]" 93.18 351 100.00 100.00 6.88e-48 GB AAD24670 "nuclear inhibitor of protein phosphatase-1 beta [Homo sapiens]" 93.18 209 100.00 100.00 2.55e-49 GB AAD31541 "nuclear inhibitor of protein phosphatase-1 alpha [Homo sapiens]" 93.18 351 100.00 100.00 6.88e-48 GB AAD31542 "nuclear inhibitor of protein phosphatase-1 beta [Homo sapiens]" 93.18 209 100.00 100.00 2.55e-49 REF NP_001026062 "nuclear inhibitor of protein phosphatase 1 [Gallus gallus]" 93.18 354 97.56 100.00 1.30e-46 REF NP_001101381 "nuclear inhibitor of protein phosphatase 1 [Rattus norvegicus]" 93.18 351 98.78 100.00 2.31e-47 REF NP_001230343 "nuclear inhibitor of protein phosphatase 1 [Sus scrofa]" 93.18 351 100.00 100.00 7.03e-48 REF NP_001253391 "nuclear inhibitor of protein phosphatase 1 [Macaca mulatta]" 93.18 351 100.00 100.00 6.88e-48 REF NP_001277654 "nuclear inhibitor of protein phosphatase 1 isoform 2 [Mus musculus]" 93.18 350 100.00 100.00 7.18e-48 SP Q12972 "RecName: Full=Nuclear inhibitor of protein phosphatase 1; Short=NIPP-1; AltName: Full=Protein phosphatase 1 regulatory inhibito" 93.18 351 100.00 100.00 6.88e-48 SP Q28147 "RecName: Full=Nuclear inhibitor of protein phosphatase 1; Short=NIPP-1; AltName: Full=Protein phosphatase 1 regulatory inhibito" 93.18 351 100.00 100.00 5.27e-48 SP Q8R3G1 "RecName: Full=Nuclear inhibitor of protein phosphatase 1; Short=NIPP-1; AltName: Full=Protein phosphatase 1 regulatory inhibito" 93.18 351 100.00 100.00 6.66e-48 TPG DAA32062 "TPA: nuclear inhibitor of protein phosphatase 1 [Bos taurus]" 93.18 351 100.00 100.00 6.88e-48 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $NIPP1 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 $NIPP1 'recombinant technology' . Escherichia coli . 'pET M30-MBP' 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 $NIPP1 1 mM '[U-99% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NIPP1 1 mM '[U-98% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version 1.8 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 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' 50 . mM pH 6.6 . pH pressure 1 . atm temperature 298 . 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D C(CO)NH' '2D 1H-15N 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 'PP1 binding domain' _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 1 139 2 ALA CA C 52.593 0.20 1 2 139 2 ALA CB C 19.336 0.20 1 3 140 3 MET H H 8.492 0.003 1 4 140 3 MET CA C 55.581 0.20 1 5 140 3 MET CB C 32.488 0.20 1 6 140 3 MET N N 119.782 0.04 1 7 141 4 GLY H H 8.334 0.003 1 8 141 4 GLY CA C 45.17 0.20 1 9 141 4 GLY N N 110.553 0.04 1 10 142 5 ALA H H 8.126 0.003 1 11 142 5 ALA CA C 52.529 0.20 1 12 142 5 ALA CB C 19.336 0.20 1 13 142 5 ALA N N 124.018 0.04 1 14 143 6 SER H H 8.353 0.003 1 15 143 6 SER CA C 58.44 0.20 1 16 143 6 SER CB C 63.833 0.20 1 17 143 6 SER N N 115.335 0.04 1 18 144 7 GLY H H 8.418 0.003 1 19 144 7 GLY CA C 45.392 0.20 1 20 144 7 GLY N N 111.075 0.04 1 21 145 8 GLY H H 8.218 0.003 1 22 145 8 GLY CA C 45.256 0.20 1 23 145 8 GLY N N 108.879 0.04 1 24 146 9 GLU H H 8.408 0.003 1 25 146 9 GLU CA C 56.935 0.20 1 26 146 9 GLU CB C 30.077 0.20 1 27 146 9 GLU N N 120.563 0.04 1 28 147 10 ASP H H 8.312 0.003 1 29 147 10 ASP CA C 54.528 0.20 1 30 147 10 ASP CB C 41.036 0.20 1 31 147 10 ASP N N 120.488 0.04 1 32 148 11 ASP H H 8.107 0.003 1 33 148 11 ASP CA C 55.022 0.20 1 34 148 11 ASP CB C 41.036 0.20 1 35 148 11 ASP N N 120.993 0.04 1 36 149 12 GLU H H 8.316 0.003 1 37 149 12 GLU CA C 57.537 0.20 1 38 149 12 GLU CB C 29.803 0.20 1 39 149 12 GLU N N 121.064 0.04 1 40 150 13 LEU H H 8.048 0.003 1 41 150 13 LEU CA C 55.502 0.20 1 42 150 13 LEU CB C 41.749 0.20 1 43 150 13 LEU N N 121.276 0.04 1 44 151 14 LYS H H 7.916 0.003 1 45 151 14 LYS CA C 57.107 0.20 1 46 151 14 LYS CB C 32.707 0.20 1 47 151 14 LYS N N 120.69 0.04 1 48 152 15 GLY H H 8.178 0.003 1 49 152 15 GLY CA C 45.406 0.20 1 50 152 15 GLY N N 108.649 0.04 1 51 153 16 LEU H H 7.867 0.003 1 52 153 16 LEU CA C 55.345 0.20 1 53 153 16 LEU CB C 42.187 0.20 1 54 153 16 LEU N N 121.202 0.04 1 55 154 17 LEU H H 8.063 0.003 1 56 154 17 LEU CA C 55.216 0.20 1 57 154 17 LEU CB C 42.297 0.20 1 58 154 17 LEU N N 121.572 0.04 1 59 155 18 GLY H H 8.139 0.003 1 60 155 18 GLY CA C 45.082 0.20 1 61 155 18 GLY N N 109.038 0.04 1 62 156 19 LEU H H 7.954 0.003 1 63 156 19 LEU CA C 52.958 0.20 1 64 156 19 LEU CB C 41.475 0.20 1 65 156 19 LEU N N 122.621 0.04 1 66 157 20 PRO CA C 63.169 0.20 1 67 157 20 PRO CB C 31.885 0.20 1 68 158 21 GLU H H 8.476 0.003 1 69 158 21 GLU CA C 56.785 0.20 1 70 158 21 GLU CB C 30.241 0.20 1 71 158 21 GLU N N 121.043 0.04 1 72 159 22 GLU H H 8.331 0.003 1 73 159 22 GLU CA C 56.548 0.20 1 74 159 22 GLU CB C 30.405 0.20 1 75 159 22 GLU N N 121.428 0.04 1 76 160 23 GLU H H 8.357 0.003 1 77 160 23 GLU CA C 56.548 0.20 1 78 160 23 GLU CB C 30.405 0.20 1 79 160 23 GLU N N 122.166 0.04 1 80 161 24 THR H H 8.096 0.003 1 81 161 24 THR CA C 61.957 0.20 1 82 161 24 THR CB C 70.087 0.20 1 83 161 24 THR N N 115.35 0.04 1 84 162 25 GLU H H 8.379 0.003 1 85 162 25 GLU CA C 56.419 0.20 1 86 162 25 GLU CB C 30.077 0.20 1 87 162 25 GLU N N 123.288 0.04 1 88 163 26 LEU H H 8.13 0.003 1 89 163 26 LEU CA C 55.409 0.20 1 90 163 26 LEU CB C 42.242 0.20 1 91 163 26 LEU N N 122.943 0.04 1 92 164 27 ASP H H 8.191 0.003 1 93 164 27 ASP CA C 54.549 0.20 1 94 164 27 ASP CB C 41.036 0.20 1 95 164 27 ASP N N 120.382 0.04 1 96 165 28 ASN H H 8.17 0.003 1 97 165 28 ASN CA C 53.453 0.20 1 98 165 28 ASN CB C 38.57 0.20 1 99 165 28 ASN N N 118.519 0.04 1 100 166 29 LEU H H 8.138 0.003 1 101 166 29 LEU CA C 55.646 0.20 1 102 166 29 LEU CB C 42.023 0.20 1 103 166 29 LEU N N 121.841 0.04 1 104 167 30 THR H H 7.991 0.003 1 105 167 30 THR CA C 62.675 0.20 1 106 167 30 THR CB C 69.641 0.20 1 107 167 30 THR N N 114.123 0.04 1 108 168 31 GLU H H 8.21 0.003 1 109 168 31 GLU CA C 57.043 0.20 1 110 168 31 GLU CB C 30.022 0.20 1 111 168 31 GLU N N 122.233 0.04 1 112 169 32 PHE H H 8.061 0.003 1 113 169 32 PHE CA C 58.354 0.20 1 114 169 32 PHE CB C 39.392 0.20 1 115 169 32 PHE N N 120.344 0.04 1 116 170 33 ASN H H 8.234 0.003 1 117 170 33 ASN CA C 53.603 0.20 1 118 170 33 ASN CB C 38.68 0.20 1 119 170 33 ASN N N 119.775 0.04 1 120 171 34 THR H H 7.991 0.003 1 121 171 34 THR CA C 62.675 0.20 1 122 171 34 THR CB C 69.632 0.20 1 123 171 34 THR N N 114.283 0.04 1 124 172 35 ALA H H 8.087 0.003 1 125 172 35 ALA CA C 53.109 0.20 1 126 172 35 ALA CB C 18.788 0.20 1 127 172 35 ALA N N 124.806 0.04 1 128 173 36 HIS H H 8.058 0.003 1 129 173 36 HIS CA C 56.112 0.20 1 130 173 36 HIS CB C 29.166 0.20 1 131 173 36 HIS N N 117.224 0.04 1 132 174 37 ASN H H 8.102 0.003 1 133 174 37 ASN CA C 53.53 0.20 1 134 174 37 ASN CB C 38.518 0.20 1 135 174 37 ASN N N 118.83 0.04 1 136 175 38 LYS H H 8.114 0.003 1 137 175 38 LYS CA C 56.527 0.20 1 138 175 38 LYS CB C 32.871 0.20 1 139 175 38 LYS N N 121.265 0.04 1 140 176 39 ARG H H 8.168 0.003 1 141 176 39 ARG CA C 56.312 0.20 1 142 176 39 ARG CB C 30.57 0.20 1 143 176 39 ARG N N 122.077 0.04 1 144 177 40 ILE H H 8.068 0.003 1 145 177 40 ILE CA C 61.17 0.20 1 146 177 40 ILE CB C 38.68 0.20 1 147 177 40 ILE N N 121.809 0.04 1 148 178 41 SER H H 8.28 0.003 1 149 178 41 SER CA C 58.268 0.20 1 150 178 41 SER CB C 63.778 0.20 1 151 178 41 SER N N 119.517 0.04 1 152 179 42 THR H H 8.066 0.003 1 153 179 42 THR CA C 61.944 0.20 1 154 179 42 THR CB C 69.532 0.20 1 155 179 42 THR N N 116.037 0.04 1 156 180 43 LEU H H 8.052 0.003 1 157 180 43 LEU CA C 55.323 0.20 1 158 180 43 LEU CB C 42.351 0.20 1 159 180 43 LEU N N 123.991 0.04 1 160 181 44 THR H H 8.088 0.003 1 161 181 44 THR CA C 61.937 0.20 1 162 181 44 THR CB C 69.745 0.20 1 163 181 44 THR N N 115.794 0.04 1 164 182 45 ILE H H 8.106 0.003 1 165 182 45 ILE CA C 61.471 0.20 1 166 182 45 ILE CB C 38.68 0.20 1 167 182 45 ILE N N 123.313 0.04 1 168 183 46 GLU H H 8.398 0.003 1 169 183 46 GLU CA C 56.763 0.20 1 170 183 46 GLU CB C 30.077 0.20 1 171 183 46 GLU N N 124.657 0.04 1 172 184 47 GLU H H 8.283 0.003 1 173 184 47 GLU CA C 57 0.20 1 174 184 47 GLU CB C 30.351 0.20 1 175 184 47 GLU N N 122.036 0.04 1 176 185 48 GLY H H 8.317 0.003 1 177 185 48 GLY CA C 45.389 0.20 1 178 185 48 GLY N N 109.247 0.04 1 179 186 49 ASN H H 8.098 0.003 1 180 186 49 ASN CA C 53.259 0.20 1 181 186 49 ASN CB C 38.735 0.20 1 182 186 49 ASN N N 118.36 0.04 1 183 187 50 LEU H H 8.142 0.003 1 184 187 50 LEU CA C 55.56 0.20 1 185 187 50 LEU CB C 42.242 0.20 1 186 187 50 LEU N N 122.332 0.04 1 187 188 51 ASP H H 8.203 0.003 1 188 188 51 ASP CA C 54.528 0.20 1 189 188 51 ASP CB C 40.927 0.20 1 190 188 51 ASP N N 120.686 0.04 1 191 189 52 ILE H H 7.735 0.003 1 192 189 52 ILE CA C 61.407 0.20 1 193 189 52 ILE CB C 38.68 0.20 1 194 189 52 ILE N N 119.687 0.04 1 195 190 53 GLN H H 8.201 0.003 1 196 190 53 GLN CA C 55.732 0.20 1 197 190 53 GLN CB C 29.145 0.20 1 198 190 53 GLN N N 122.533 0.04 1 199 191 54 ARG H H 8.078 0.003 1 200 191 54 ARG CA C 54.098 0.20 1 201 191 54 ARG CB C 30.203 0.20 1 202 191 54 ARG N N 122.793 0.04 1 203 192 55 PRO CA C 63.105 0.20 1 204 192 55 PRO CB C 32.104 0.20 1 205 193 56 LYS H H 8.347 0.003 1 206 193 56 LYS CA C 56.004 0.20 1 207 193 56 LYS CB C 32.972 0.20 1 208 193 56 LYS N N 121.71 0.04 1 209 194 57 ARG H H 8.255 0.003 1 210 194 57 ARG CA C 55.989 0.20 1 211 194 57 ARG CB C 30.844 0.20 1 212 194 57 ARG N N 122.244 0.04 1 213 195 58 LYS H H 8.363 0.003 1 214 195 58 LYS CA C 56.226 0.20 1 215 195 58 LYS CB C 33.145 0.20 1 216 195 58 LYS N N 123.396 0.04 1 217 196 59 ARG H H 8.365 0.003 1 218 196 59 ARG CA C 56.075 0.20 1 219 196 59 ARG CB C 30.898 0.20 1 220 196 59 ARG N N 123.108 0.04 1 221 197 60 LYS H H 8.457 0.003 1 222 197 60 LYS CA C 56.613 0.20 1 223 197 60 LYS CB C 33.09 0.20 1 224 197 60 LYS N N 123.303 0.04 1 225 198 61 ASN CA C 53.152 0.20 1 226 198 61 ASN CB C 38.79 0.20 1 227 199 62 SER H H 8.206 0.003 1 228 199 62 SER CA C 58.548 0.20 1 229 199 62 SER CB C 63.723 0.20 1 230 199 62 SER N N 116.256 0.04 1 231 200 63 ARG H H 8.277 0.003 1 232 200 63 ARG CA C 56.226 0.20 1 233 200 63 ARG CB C 30.734 0.20 1 234 200 63 ARG N N 122.452 0.04 1 235 201 64 VAL H H 8.007 0.003 1 236 201 64 VAL CA C 62.352 0.20 1 237 201 64 VAL CB C 32.707 0.20 1 238 201 64 VAL N N 120.234 0.04 1 239 202 65 THR H H 7.95 0.003 1 240 202 65 THR CA C 61.407 0.20 1 241 202 65 THR CB C 69.806 0.20 1 242 202 65 THR N N 116.948 0.04 1 243 203 66 PHE H H 8.187 0.003 1 244 203 66 PHE CA C 57.531 0.20 1 245 203 66 PHE CB C 39.776 0.20 1 246 203 66 PHE N N 122.196 0.04 1 247 204 67 SER H H 8.194 0.003 1 248 204 67 SER CA C 57.847 0.20 1 249 204 67 SER CB C 64.094 0.20 1 250 204 67 SER N N 117.442 0.04 1 251 205 68 GLU H H 8.517 0.003 1 252 205 68 GLU CA C 57.086 0.20 1 253 205 68 GLU CB C 29.967 0.20 1 254 205 68 GLU N N 122.858 0.04 1 255 206 69 ASP H H 8.111 0.003 1 256 206 69 ASP CA C 54.571 0.20 1 257 206 69 ASP CB C 41.146 0.20 1 258 206 69 ASP N N 119.853 0.04 1 259 207 70 ASP H H 7.98 0.003 1 260 207 70 ASP CA C 54.592 0.20 1 261 207 70 ASP CB C 41.146 0.20 1 262 207 70 ASP N N 120.159 0.04 1 263 208 71 GLU H H 8.091 0.003 1 264 208 71 GLU CA C 56.419 0.20 1 265 208 71 GLU CB C 30.405 0.20 1 266 208 71 GLU N N 120.523 0.04 1 267 209 72 ILE H H 8.066 0.003 1 268 209 72 ILE CA C 60.977 0.20 1 269 209 72 ILE CB C 38.296 0.20 1 270 209 72 ILE N N 122.793 0.04 1 271 210 73 ILE H H 8.13 0.003 1 272 210 73 ILE CA C 60.676 0.20 1 273 210 73 ILE CB C 38.516 0.20 1 274 210 73 ILE N N 126.021 0.04 1 275 211 74 ASN H H 8.588 0.003 1 276 211 74 ASN CA C 50.981 0.20 1 277 211 74 ASN CB C 38.657 0.20 1 278 211 74 ASN N N 124.725 0.04 1 279 212 75 PRO CA C 63.922 0.20 1 280 212 75 PRO CB C 32.049 0.20 1 281 213 76 GLU H H 8.395 0.003 1 282 213 76 GLU CA C 56.957 0.20 1 283 213 76 GLU CB C 29.748 0.20 1 284 213 76 GLU N N 118.389 0.04 1 285 214 77 ASP H H 8.007 0.003 1 286 214 77 ASP CA C 54.442 0.20 1 287 214 77 ASP CB C 41.146 0.20 1 288 214 77 ASP N N 120.442 0.04 1 289 215 78 VAL H H 7.629 0.003 1 290 215 78 VAL CA C 61.965 0.20 1 291 215 78 VAL CB C 32.871 0.20 1 292 215 78 VAL N N 119.154 0.04 1 293 216 79 ASP H H 8.276 0.003 1 294 216 79 ASP CA C 51.712 0.20 1 295 216 79 ASP CB C 41.584 0.20 1 296 216 79 ASP N N 125.294 0.04 1 297 217 80 PRO CA C 63.833 0.20 1 298 217 80 PRO CB C 32.049 0.20 1 299 218 81 SER H H 8.453 0.003 1 300 218 81 SER CA C 59.73 0.20 1 301 218 81 SER CB C 63.394 0.20 1 302 218 81 SER N N 115.223 0.04 1 303 219 82 VAL H H 7.545 0.003 1 304 219 82 VAL CA C 62.911 0.20 1 305 219 82 VAL CB C 32.378 0.20 1 306 219 82 VAL N N 120.458 0.04 1 307 220 83 GLY H H 8.19 0.003 1 308 220 83 GLY CA C 45.497 0.20 1 309 220 83 GLY N N 110.91 0.04 1 310 221 84 ARG H H 7.838 0.003 1 311 221 84 ARG CA C 56.355 0.20 1 312 221 84 ARG CB C 30.625 0.20 1 313 221 84 ARG N N 120.118 0.04 1 314 222 85 PHE H H 8.094 0.003 1 315 222 85 PHE CA C 57.535 0.20 1 316 222 85 PHE CB C 39.337 0.20 1 317 222 85 PHE N N 120.327 0.04 1 318 223 86 ARG H H 7.998 0.003 1 319 223 86 ARG CA C 56.011 0.20 1 320 223 86 ARG CB C 30.898 0.20 1 321 223 86 ARG N N 121.827 0.04 1 322 224 87 ASN H H 8.307 0.003 1 323 224 87 ASN CA C 53.431 0.20 1 324 224 87 ASN CB C 38.735 0.20 1 325 224 87 ASN N N 119.782 0.04 1 326 225 88 MET H H 7.768 0.003 1 327 225 88 MET CA C 57.064 0.20 1 328 225 88 MET CB C 33.748 0.20 1 329 225 88 MET N N 125.351 0.04 1 stop_ save_