data_27920 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, 13C backbone resonance assignments of the P146A variant of beta-phosphoglucomutase ; _BMRB_accession_number 27920 _BMRB_flat_file_name bmr27920.str _Entry_type original _Submission_date 2019-05-21 _Accession_date 2019-05-21 _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 Baxter Nicola J. . 2 Cruz-Navarrete F Aaron . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 194 "13C chemical shifts" 612 "15N chemical shifts" 194 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-03-19 update author 'update entry citation' 2019-09-03 update BMRB 'update entry citation' 2019-08-14 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 7235 'Backbone NMR assignments of wild-type beta-phosphoglucomutase' stop_ _Original_release_date 2019-05-21 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 15N and 13C backbone resonance assignments of the P146A variant of beta-phosphoglucomutase from Lactococcus lactis in its substrate-free form ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31396843 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cruz-Navarrete F. Aaron . 2 Baxter Nicola J. . 3 Wood Henry P. . 4 Hounslow Andrea M. . 5 Waltho Jonathan P. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 13 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 349 _Page_last 356 _Year 2019 _Details . loop_ _Keyword 'backbone resonance assignment' 'general acid-base catalysis' 'phosphoryl transfer enzyme' 'transverse relaxation optimised spectroscopy' 'triple-labelled protein' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'bPGM-P146A-Mg complex' _Enzyme_commission_number 'EC 5.4.2.6' loop_ _Mol_system_component_name _Mol_label bPGM-P146A $beta-phosphoglucomutase Mg $entity_MG stop_ _System_molecular_weight 24207.91 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'The wild-type enzyme catalyses the reversible interconversion of beta-glucose 1-phosphate and beta-glucose 6-phosphate' stop_ _Database_query_date . _Details 'This is a binary complex involving beta-phosphoglucomutase (P146A) and a catalytic Mg ion' save_ ######################## # Monomeric polymers # ######################## save_beta-phosphoglucomutase _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common beta-phosphoglucomutase _Molecular_mass 24183.61 _Mol_thiol_state 'all free' loop_ _Biological_function 'The wild-type enzyme catalyses the reversible interconversion of beta-glucose 1-phosphate and beta-glucose 6-phosphate' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 221 _Mol_residue_sequence ; MFKAVLFDLNGVITDTAEYH FRAWKALAEEIGINGVDRQF NEQLKGVSREDSLQKILDLA DKKVSAEEFKELAKRKNDNY VKMIQDVSPADVYPGILQLL KDLRSNKIKIALASASKNGP FLLERMNLTGYFDAIADPAE VAASKAAPDIFIAAAHAVGV APSESIGLEDSQAGIQAIKD SGALPIGVGRPEDLGDDIVI VPDTSHYTLEFLKEVWLQKQ K ; loop_ _Residue_seq_code _Residue_label 1 MET 2 PHE 3 LYS 4 ALA 5 VAL 6 LEU 7 PHE 8 ASP 9 LEU 10 ASN 11 GLY 12 VAL 13 ILE 14 THR 15 ASP 16 THR 17 ALA 18 GLU 19 TYR 20 HIS 21 PHE 22 ARG 23 ALA 24 TRP 25 LYS 26 ALA 27 LEU 28 ALA 29 GLU 30 GLU 31 ILE 32 GLY 33 ILE 34 ASN 35 GLY 36 VAL 37 ASP 38 ARG 39 GLN 40 PHE 41 ASN 42 GLU 43 GLN 44 LEU 45 LYS 46 GLY 47 VAL 48 SER 49 ARG 50 GLU 51 ASP 52 SER 53 LEU 54 GLN 55 LYS 56 ILE 57 LEU 58 ASP 59 LEU 60 ALA 61 ASP 62 LYS 63 LYS 64 VAL 65 SER 66 ALA 67 GLU 68 GLU 69 PHE 70 LYS 71 GLU 72 LEU 73 ALA 74 LYS 75 ARG 76 LYS 77 ASN 78 ASP 79 ASN 80 TYR 81 VAL 82 LYS 83 MET 84 ILE 85 GLN 86 ASP 87 VAL 88 SER 89 PRO 90 ALA 91 ASP 92 VAL 93 TYR 94 PRO 95 GLY 96 ILE 97 LEU 98 GLN 99 LEU 100 LEU 101 LYS 102 ASP 103 LEU 104 ARG 105 SER 106 ASN 107 LYS 108 ILE 109 LYS 110 ILE 111 ALA 112 LEU 113 ALA 114 SER 115 ALA 116 SER 117 LYS 118 ASN 119 GLY 120 PRO 121 PHE 122 LEU 123 LEU 124 GLU 125 ARG 126 MET 127 ASN 128 LEU 129 THR 130 GLY 131 TYR 132 PHE 133 ASP 134 ALA 135 ILE 136 ALA 137 ASP 138 PRO 139 ALA 140 GLU 141 VAL 142 ALA 143 ALA 144 SER 145 LYS 146 ALA 147 ALA 148 PRO 149 ASP 150 ILE 151 PHE 152 ILE 153 ALA 154 ALA 155 ALA 156 HIS 157 ALA 158 VAL 159 GLY 160 VAL 161 ALA 162 PRO 163 SER 164 GLU 165 SER 166 ILE 167 GLY 168 LEU 169 GLU 170 ASP 171 SER 172 GLN 173 ALA 174 GLY 175 ILE 176 GLN 177 ALA 178 ILE 179 LYS 180 ASP 181 SER 182 GLY 183 ALA 184 LEU 185 PRO 186 ILE 187 GLY 188 VAL 189 GLY 190 ARG 191 PRO 192 GLU 193 ASP 194 LEU 195 GLY 196 ASP 197 ASP 198 ILE 199 VAL 200 ILE 201 VAL 202 PRO 203 ASP 204 THR 205 SER 206 HIS 207 TYR 208 THR 209 LEU 210 GLU 211 PHE 212 LEU 213 LYS 214 GLU 215 VAL 216 TRP 217 LEU 218 GLN 219 LYS 220 GLN 221 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_MG _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'MAGNESIUM ION' _BMRB_code MG _PDB_code MG _Molecular_mass 24.305 _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 MG MG MG . 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 _Gene_mnemonic $beta-phosphoglucomutase . 1358 Bacteria Bacteria Lactococcus lactis pgmB 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 $beta-phosphoglucomutase 'recombinant technology' . Escherichia coli BL21(DE3) pET-22b(+) 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 $beta-phosphoglucomutase 1.2 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' 'potassium HEPES buffer' 50 mM 'natural abundance' 'magnesium chloride' 5 mM 'natural abundance' 'sodium azide' 2 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-99% 2H]' EDTA 1 mM 'natural abundance' TSP 1 mM [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_Felix _Saveframe_category software _Name Felix _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_1 save_ save_3D_TROSY-HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCO' _Sample_label $sample_1 save_ save_3D_TROSY_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY HN(CA)CO' _Sample_label $sample_1 save_ save_3D_TROSY_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY HNCA' _Sample_label $sample_1 save_ save_3D_TROSY_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY HN(CO)CA' _Sample_label $sample_1 save_ save_3D_TROSY_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY HNCACB' _Sample_label $sample_1 save_ save_3D_TROSY_HN(CO)CACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY HN(CO)CACB' _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' 77 . mM pH 7.2 . 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 'TROSY offset: amide protons and amide nitrogens.' loop_ _Software_label $TOPSPIN $Felix stop_ loop_ _Experiment_label '2D 1H-15N TROSY' '3D TROSY-HNCO' '3D TROSY HN(CA)CO' '3D TROSY HNCA' '3D TROSY HN(CO)CA' '3D TROSY HNCACB' '3D TROSY HN(CO)CACB' 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 bPGM-P146A _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 175.067 0.050 1 2 2 2 PHE H H 5.272 0.005 1 3 2 2 PHE C C 173.809 0.050 1 4 2 2 PHE CA C 55.841 0.050 1 5 2 2 PHE CB C 36.117 0.050 1 6 2 2 PHE N N 117.150 0.050 1 7 3 3 LYS H H 8.794 0.005 1 8 3 3 LYS C C 176.627 0.050 1 9 3 3 LYS CA C 55.627 0.050 1 10 3 3 LYS CB C 35.827 0.050 1 11 3 3 LYS N N 116.133 0.050 1 12 4 4 ALA H H 7.684 0.005 1 13 4 4 ALA C C 175.267 0.050 1 14 4 4 ALA CA C 50.691 0.050 1 15 4 4 ALA CB C 22.643 0.050 1 16 4 4 ALA N N 121.129 0.050 1 17 5 5 VAL H H 8.678 0.005 1 18 5 5 VAL C C 172.689 0.050 1 19 5 5 VAL CA C 61.016 0.050 1 20 5 5 VAL CB C 32.797 0.050 1 21 5 5 VAL N N 119.978 0.050 1 22 6 6 LEU H H 9.304 0.005 1 23 6 6 LEU C C 175.625 0.050 1 24 6 6 LEU CA C 51.807 0.050 1 25 6 6 LEU CB C 40.748 0.050 1 26 6 6 LEU N N 126.081 0.050 1 27 7 7 PHE H H 9.377 0.005 1 28 7 7 PHE C C 177.264 0.050 1 29 7 7 PHE CA C 58.971 0.050 1 30 7 7 PHE CB C 40.758 0.050 1 31 7 7 PHE N N 122.069 0.050 1 32 8 8 ASP H H 7.193 0.005 1 33 8 8 ASP C C 173.599 0.050 1 34 8 8 ASP CA C 53.560 0.050 1 35 8 8 ASP CB C 43.130 0.050 1 36 8 8 ASP N N 121.338 0.050 1 37 11 11 GLY C C 171.718 0.050 1 38 11 11 GLY CA C 44.826 0.050 1 39 12 12 VAL H H 7.466 0.005 1 40 12 12 VAL C C 172.723 0.050 1 41 12 12 VAL CA C 64.184 0.050 1 42 12 12 VAL CB C 33.194 0.050 1 43 12 12 VAL N N 118.321 0.050 1 44 13 13 ILE H H 8.098 0.005 1 45 13 13 ILE C C 175.377 0.050 1 46 13 13 ILE CA C 63.514 0.050 1 47 13 13 ILE CB C 38.522 0.050 1 48 13 13 ILE N N 114.548 0.050 1 49 14 14 THR H H 7.208 0.005 1 50 14 14 THR C C 171.959 0.050 1 51 14 14 THR CA C 59.189 0.050 1 52 14 14 THR CB C 67.278 0.050 1 53 14 14 THR N N 109.332 0.050 1 54 15 15 ASP H H 8.234 0.005 1 55 15 15 ASP C C 176.510 0.050 1 56 15 15 ASP CA C 53.761 0.050 1 57 15 15 ASP CB C 42.883 0.050 1 58 15 15 ASP N N 120.885 0.050 1 59 16 16 THR H H 9.203 0.005 1 60 16 16 THR C C 176.154 0.050 1 61 16 16 THR CA C 60.874 0.050 1 62 16 16 THR CB C 68.661 0.050 1 63 16 16 THR N N 114.745 0.050 1 64 17 17 ALA H H 9.052 0.005 1 65 17 17 ALA C C 181.029 0.050 1 66 17 17 ALA CA C 56.240 0.050 1 67 17 17 ALA CB C 18.233 0.050 1 68 17 17 ALA N N 128.885 0.050 1 69 18 18 GLU H H 9.222 0.005 1 70 18 18 GLU C C 178.212 0.050 1 71 18 18 GLU CA C 58.416 0.050 1 72 18 18 GLU CB C 28.414 0.050 1 73 18 18 GLU N N 119.757 0.050 1 74 19 19 TYR H H 7.336 0.005 1 75 19 19 TYR C C 178.712 0.050 1 76 19 19 TYR CA C 60.868 0.050 1 77 19 19 TYR CB C 37.215 0.050 1 78 19 19 TYR N N 118.095 0.050 1 79 20 20 HIS H H 8.007 0.005 1 80 20 20 HIS C C 177.339 0.050 1 81 20 20 HIS CA C 61.672 0.050 1 82 20 20 HIS CB C 30.843 0.050 1 83 20 20 HIS N N 119.045 0.050 1 84 21 21 PHE H H 8.375 0.005 1 85 21 21 PHE C C 176.974 0.050 1 86 21 21 PHE CA C 60.233 0.050 1 87 21 21 PHE CB C 37.446 0.050 1 88 21 21 PHE N N 119.065 0.050 1 89 22 22 ARG H H 8.409 0.005 1 90 22 22 ARG C C 179.548 0.050 1 91 22 22 ARG CA C 59.276 0.050 1 92 22 22 ARG CB C 29.851 0.050 1 93 22 22 ARG N N 117.820 0.050 1 94 23 23 ALA H H 8.185 0.005 1 95 23 23 ALA C C 179.777 0.050 1 96 23 23 ALA CA C 55.303 0.050 1 97 23 23 ALA CB C 17.816 0.050 1 98 23 23 ALA N N 123.266 0.050 1 99 24 24 TRP H H 8.508 0.005 1 100 24 24 TRP C C 178.639 0.050 1 101 24 24 TRP CA C 59.337 0.050 1 102 24 24 TRP CB C 29.829 0.050 1 103 24 24 TRP N N 120.025 0.050 1 104 25 25 LYS H H 8.825 0.005 1 105 25 25 LYS C C 178.189 0.050 1 106 25 25 LYS CA C 59.585 0.050 1 107 25 25 LYS CB C 31.488 0.050 1 108 25 25 LYS N N 120.819 0.050 1 109 26 26 ALA H H 7.833 0.005 1 110 26 26 ALA C C 180.704 0.050 1 111 26 26 ALA CA C 54.164 0.050 1 112 26 26 ALA CB C 17.189 0.050 1 113 26 26 ALA N N 119.574 0.050 1 114 27 27 LEU H H 7.472 0.005 1 115 27 27 LEU C C 178.100 0.050 1 116 27 27 LEU CA C 57.032 0.050 1 117 27 27 LEU CB C 41.599 0.050 1 118 27 27 LEU N N 120.291 0.050 1 119 28 28 ALA H H 8.668 0.005 1 120 28 28 ALA C C 179.764 0.050 1 121 28 28 ALA CA C 55.041 0.050 1 122 28 28 ALA CB C 17.304 0.050 1 123 28 28 ALA N N 120.907 0.050 1 124 29 29 GLU H H 8.293 0.005 1 125 29 29 GLU C C 180.283 0.050 1 126 29 29 GLU CA C 58.746 0.050 1 127 29 29 GLU CB C 28.280 0.050 1 128 29 29 GLU N N 116.948 0.050 1 129 30 30 GLU H H 7.852 0.005 1 130 30 30 GLU C C 178.805 0.050 1 131 30 30 GLU CA C 58.889 0.050 1 132 30 30 GLU CB C 28.764 0.050 1 133 30 30 GLU N N 121.321 0.050 1 134 31 31 ILE H H 7.665 0.005 1 135 31 31 ILE C C 175.936 0.050 1 136 31 31 ILE CA C 61.011 0.050 1 137 31 31 ILE CB C 36.947 0.050 1 138 31 31 ILE N N 111.721 0.050 1 139 32 32 GLY H H 7.602 0.005 1 140 32 32 GLY C C 174.543 0.050 1 141 32 32 GLY CA C 45.897 0.050 1 142 32 32 GLY N N 109.508 0.050 1 143 33 33 ILE H H 8.269 0.005 1 144 33 33 ILE C C 174.992 0.050 1 145 33 33 ILE CA C 60.873 0.050 1 146 33 33 ILE CB C 38.347 0.050 1 147 33 33 ILE N N 122.267 0.050 1 148 34 34 ASN H H 8.516 0.005 1 149 34 34 ASN C C 175.142 0.050 1 150 34 34 ASN CA C 52.564 0.050 1 151 34 34 ASN CB C 39.436 0.050 1 152 34 34 ASN N N 125.911 0.050 1 153 35 35 GLY H H 7.946 0.005 1 154 35 35 GLY C C 174.177 0.050 1 155 35 35 GLY CA C 44.776 0.050 1 156 35 35 GLY N N 107.552 0.050 1 157 36 36 VAL H H 8.428 0.005 1 158 36 36 VAL C C 174.135 0.050 1 159 36 36 VAL CA C 62.389 0.050 1 160 36 36 VAL CB C 28.735 0.050 1 161 36 36 VAL N N 121.859 0.050 1 162 37 37 ASP H H 7.587 0.005 1 163 37 37 ASP C C 176.429 0.050 1 164 37 37 ASP CA C 51.646 0.050 1 165 37 37 ASP CB C 41.891 0.050 1 166 37 37 ASP N N 125.919 0.050 1 167 38 38 ARG C C 178.575 0.050 1 168 38 38 ARG CA C 59.176 0.050 1 169 38 38 ARG CB C 28.429 0.050 1 170 39 39 GLN H H 8.058 0.005 1 171 39 39 GLN C C 178.730 0.050 1 172 39 39 GLN CA C 58.443 0.050 1 173 39 39 GLN CB C 27.242 0.050 1 174 39 39 GLN N N 119.622 0.050 1 175 40 40 PHE H H 8.561 0.005 1 176 40 40 PHE C C 177.575 0.050 1 177 40 40 PHE CA C 61.108 0.050 1 178 40 40 PHE CB C 38.866 0.050 1 179 40 40 PHE N N 123.644 0.050 1 180 41 41 ASN H H 8.339 0.005 1 181 41 41 ASN C C 177.483 0.050 1 182 41 41 ASN CA C 56.059 0.050 1 183 41 41 ASN CB C 39.227 0.050 1 184 41 41 ASN N N 116.040 0.050 1 185 42 42 GLU H H 7.732 0.005 1 186 42 42 GLU C C 179.077 0.050 1 187 42 42 GLU CA C 58.661 0.050 1 188 42 42 GLU CB C 28.612 0.050 1 189 42 42 GLU N N 118.996 0.050 1 190 43 43 GLN H H 7.695 0.005 1 191 43 43 GLN C C 176.386 0.050 1 192 43 43 GLN CA C 56.337 0.050 1 193 43 43 GLN CB C 27.540 0.050 1 194 43 43 GLN N N 116.123 0.050 1 195 46 46 GLY C C 174.281 0.050 1 196 46 46 GLY CA C 45.358 0.050 1 197 47 47 VAL H H 7.482 0.005 1 198 47 47 VAL C C 176.435 0.050 1 199 47 47 VAL CA C 61.312 0.050 1 200 47 47 VAL CB C 31.800 0.050 1 201 47 47 VAL N N 120.039 0.050 1 202 53 53 LEU C C 178.248 0.050 1 203 53 53 LEU CA C 57.072 0.050 1 204 53 53 LEU CB C 39.356 0.050 1 205 54 54 GLN H H 8.167 0.005 1 206 54 54 GLN C C 177.202 0.050 1 207 54 54 GLN CA C 58.188 0.050 1 208 54 54 GLN CB C 28.005 0.050 1 209 54 54 GLN N N 117.701 0.050 1 210 55 55 LYS H H 7.581 0.005 1 211 55 55 LYS C C 179.565 0.050 1 212 55 55 LYS CA C 59.160 0.050 1 213 55 55 LYS CB C 31.369 0.050 1 214 55 55 LYS N N 117.690 0.050 1 215 56 56 ILE H H 7.521 0.005 1 216 56 56 ILE C C 177.401 0.050 1 217 56 56 ILE CA C 64.844 0.050 1 218 56 56 ILE CB C 37.025 0.050 1 219 56 56 ILE N N 120.185 0.050 1 220 57 57 LEU H H 8.301 0.005 1 221 57 57 LEU C C 180.807 0.050 1 222 57 57 LEU CA C 57.779 0.050 1 223 57 57 LEU CB C 38.972 0.050 1 224 57 57 LEU N N 119.445 0.050 1 225 58 58 ASP H H 8.669 0.005 1 226 58 58 ASP C C 179.500 0.050 1 227 58 58 ASP CA C 56.449 0.050 1 228 58 58 ASP CB C 39.502 0.050 1 229 58 58 ASP N N 119.257 0.050 1 230 59 59 LEU H H 7.727 0.005 1 231 59 59 LEU C C 178.322 0.050 1 232 59 59 LEU CA C 57.285 0.050 1 233 59 59 LEU CB C 40.931 0.050 1 234 59 59 LEU N N 122.501 0.050 1 235 60 60 ALA H H 7.227 0.005 1 236 60 60 ALA C C 175.989 0.050 1 237 60 60 ALA CA C 50.347 0.050 1 238 60 60 ALA CB C 19.953 0.050 1 239 60 60 ALA N N 118.951 0.050 1 240 61 61 ASP H H 7.884 0.005 1 241 61 61 ASP C C 174.716 0.050 1 242 61 61 ASP CA C 55.016 0.050 1 243 61 61 ASP CB C 39.395 0.050 1 244 61 61 ASP N N 120.216 0.050 1 245 62 62 LYS H H 7.832 0.005 1 246 62 62 LYS C C 175.480 0.050 1 247 62 62 LYS CA C 55.374 0.050 1 248 62 62 LYS CB C 33.334 0.050 1 249 62 62 LYS N N 118.396 0.050 1 250 63 63 LYS H H 8.503 0.005 1 251 63 63 LYS C C 176.334 0.050 1 252 63 63 LYS CA C 54.457 0.050 1 253 63 63 LYS CB C 32.280 0.050 1 254 63 63 LYS N N 126.489 0.050 1 255 64 64 VAL H H 8.436 0.005 1 256 64 64 VAL C C 175.806 0.050 1 257 64 64 VAL CA C 58.270 0.050 1 258 64 64 VAL CB C 34.434 0.050 1 259 64 64 VAL N N 116.336 0.050 1 260 65 65 SER H H 9.028 0.005 1 261 65 65 SER C C 174.654 0.050 1 262 65 65 SER CA C 57.076 0.050 1 263 65 65 SER CB C 64.844 0.050 1 264 65 65 SER N N 119.396 0.050 1 265 66 66 ALA H H 8.927 0.005 1 266 66 66 ALA C C 181.087 0.050 1 267 66 66 ALA CA C 55.092 0.050 1 268 66 66 ALA CB C 17.187 0.050 1 269 66 66 ALA N N 124.029 0.050 1 270 67 67 GLU H H 8.596 0.005 1 271 67 67 GLU C C 179.495 0.050 1 272 67 67 GLU CA C 59.393 0.050 1 273 67 67 GLU CB C 28.286 0.050 1 274 67 67 GLU N N 117.916 0.050 1 275 68 68 GLU H H 7.895 0.005 1 276 68 68 GLU C C 178.747 0.050 1 277 68 68 GLU CA C 58.672 0.050 1 278 68 68 GLU CB C 29.413 0.050 1 279 68 68 GLU N N 122.529 0.050 1 280 69 69 PHE H H 8.894 0.005 1 281 69 69 PHE C C 176.837 0.050 1 282 69 69 PHE CA C 62.028 0.050 1 283 69 69 PHE CB C 38.855 0.050 1 284 69 69 PHE N N 121.626 0.050 1 285 70 70 LYS H H 7.645 0.005 1 286 70 70 LYS C C 179.939 0.050 1 287 70 70 LYS CA C 59.255 0.050 1 288 70 70 LYS CB C 31.696 0.050 1 289 70 70 LYS N N 116.391 0.050 1 290 71 71 GLU H H 7.737 0.005 1 291 71 71 GLU C C 179.183 0.050 1 292 71 71 GLU CA C 58.648 0.050 1 293 71 71 GLU CB C 28.307 0.050 1 294 71 71 GLU N N 121.022 0.050 1 295 72 72 LEU H H 8.474 0.005 1 296 72 72 LEU C C 178.282 0.050 1 297 72 72 LEU CA C 57.485 0.050 1 298 72 72 LEU CB C 41.584 0.050 1 299 72 72 LEU N N 121.878 0.050 1 300 73 73 ALA H H 7.998 0.005 1 301 73 73 ALA C C 180.288 0.050 1 302 73 73 ALA CA C 55.105 0.050 1 303 73 73 ALA CB C 16.213 0.050 1 304 73 73 ALA N N 121.104 0.050 1 305 74 74 LYS H H 7.663 0.005 1 306 74 74 LYS C C 178.639 0.050 1 307 74 74 LYS CA C 59.176 0.050 1 308 74 74 LYS CB C 31.180 0.050 1 309 74 74 LYS N N 120.080 0.050 1 310 75 75 ARG H H 8.273 0.005 1 311 75 75 ARG C C 179.158 0.050 1 312 75 75 ARG CA C 58.834 0.050 1 313 75 75 ARG CB C 28.956 0.050 1 314 75 75 ARG N N 121.214 0.050 1 315 76 76 LYS H H 7.895 0.005 1 316 76 76 LYS C C 178.835 0.050 1 317 76 76 LYS CA C 60.353 0.050 1 318 76 76 LYS CB C 28.752 0.050 1 319 76 76 LYS N N 119.482 0.050 1 320 77 77 ASN H H 7.512 0.005 1 321 77 77 ASN C C 176.576 0.050 1 322 77 77 ASN CA C 56.474 0.050 1 323 77 77 ASN CB C 37.816 0.050 1 324 77 77 ASN N N 118.894 0.050 1 325 78 78 ASP H H 8.676 0.005 1 326 78 78 ASP C C 179.428 0.050 1 327 78 78 ASP CA C 56.998 0.050 1 328 78 78 ASP CB C 39.278 0.050 1 329 78 78 ASP N N 121.106 0.050 1 330 79 79 ASN H H 8.353 0.005 1 331 79 79 ASN C C 176.733 0.050 1 332 79 79 ASN CA C 55.010 0.050 1 333 79 79 ASN CB C 37.222 0.050 1 334 79 79 ASN N N 119.559 0.050 1 335 80 80 TYR H H 8.285 0.005 1 336 80 80 TYR C C 175.645 0.050 1 337 80 80 TYR CA C 62.011 0.050 1 338 80 80 TYR CB C 37.840 0.050 1 339 80 80 TYR N N 122.551 0.050 1 340 81 81 VAL H H 8.263 0.005 1 341 81 81 VAL C C 177.800 0.050 1 342 81 81 VAL CA C 65.809 0.050 1 343 81 81 VAL CB C 30.608 0.050 1 344 81 81 VAL N N 118.023 0.050 1 345 82 82 LYS H H 7.285 0.005 1 346 82 82 LYS C C 179.929 0.050 1 347 82 82 LYS CA C 58.624 0.050 1 348 82 82 LYS CB C 31.192 0.050 1 349 82 82 LYS N N 118.885 0.050 1 350 83 83 MET H H 8.164 0.005 1 351 83 83 MET C C 179.381 0.050 1 352 83 83 MET CA C 58.151 0.050 1 353 83 83 MET CB C 31.606 0.050 1 354 83 83 MET N N 119.489 0.050 1 355 84 84 ILE H H 7.778 0.005 1 356 84 84 ILE C C 176.389 0.050 1 357 84 84 ILE CA C 63.416 0.050 1 358 84 84 ILE CB C 35.724 0.050 1 359 84 84 ILE N N 111.185 0.050 1 360 85 85 GLN H H 7.082 0.005 1 361 85 85 GLN C C 176.347 0.050 1 362 85 85 GLN CA C 57.724 0.050 1 363 85 85 GLN CB C 27.395 0.050 1 364 85 85 GLN N N 118.833 0.050 1 365 86 86 ASP H H 7.303 0.005 1 366 86 86 ASP C C 177.034 0.050 1 367 86 86 ASP CA C 54.234 0.050 1 368 86 86 ASP CB C 40.824 0.050 1 369 86 86 ASP N N 114.434 0.050 1 370 87 87 VAL H H 7.108 0.005 1 371 87 87 VAL C C 173.839 0.050 1 372 87 87 VAL CA C 63.650 0.050 1 373 87 87 VAL CB C 30.081 0.050 1 374 87 87 VAL N N 124.366 0.050 1 375 88 88 SER H H 9.179 0.005 1 376 88 88 SER C C 173.886 0.050 1 377 88 88 SER CA C 57.240 0.050 1 378 88 88 SER CB C 65.543 0.050 1 379 88 88 SER N N 125.242 0.050 1 380 89 89 PRO C C 177.780 0.050 1 381 89 89 PRO CA C 64.971 0.050 1 382 89 89 PRO CB C 30.640 0.050 1 383 90 90 ALA H H 7.779 0.005 1 384 90 90 ALA C C 178.085 0.050 1 385 90 90 ALA CA C 53.329 0.050 1 386 90 90 ALA CB C 17.524 0.050 1 387 90 90 ALA N N 119.822 0.050 1 388 91 91 ASP H H 8.132 0.005 1 389 91 91 ASP C C 177.100 0.050 1 390 91 91 ASP CA C 55.373 0.050 1 391 91 91 ASP CB C 40.995 0.050 1 392 91 91 ASP N N 115.567 0.050 1 393 92 92 VAL H H 7.211 0.005 1 394 92 92 VAL C C 176.857 0.050 1 395 92 92 VAL CA C 63.633 0.050 1 396 92 92 VAL CB C 31.063 0.050 1 397 92 92 VAL N N 123.484 0.050 1 398 93 93 TYR H H 8.996 0.005 1 399 93 93 TYR C C 175.297 0.050 1 400 93 93 TYR CA C 54.414 0.050 1 401 93 93 TYR CB C 34.758 0.050 1 402 93 93 TYR N N 130.833 0.050 1 403 94 94 PRO C C 177.357 0.050 1 404 94 94 PRO CA C 63.222 0.050 1 405 94 94 PRO CB C 31.280 0.050 1 406 95 95 GLY H H 8.464 0.005 1 407 95 95 GLY C C 175.928 0.050 1 408 95 95 GLY CA C 45.787 0.050 1 409 95 95 GLY N N 111.359 0.050 1 410 96 96 ILE H H 7.175 0.005 1 411 96 96 ILE C C 176.925 0.050 1 412 96 96 ILE CA C 61.138 0.050 1 413 96 96 ILE CB C 33.825 0.050 1 414 96 96 ILE N N 121.456 0.050 1 415 97 97 LEU H H 8.853 0.005 1 416 97 97 LEU C C 177.941 0.050 1 417 97 97 LEU CA C 58.258 0.050 1 418 97 97 LEU CB C 40.345 0.050 1 419 97 97 LEU N N 121.173 0.050 1 420 98 98 GLN H H 8.700 0.005 1 421 98 98 GLN C C 177.428 0.050 1 422 98 98 GLN CA C 57.623 0.050 1 423 98 98 GLN CB C 27.548 0.050 1 424 98 98 GLN N N 117.634 0.050 1 425 99 99 LEU H H 7.823 0.005 1 426 99 99 LEU C C 178.522 0.050 1 427 99 99 LEU CA C 57.871 0.050 1 428 99 99 LEU CB C 39.873 0.050 1 429 99 99 LEU N N 119.728 0.050 1 430 100 100 LEU H H 8.336 0.005 1 431 100 100 LEU C C 179.041 0.050 1 432 100 100 LEU CA C 57.929 0.050 1 433 100 100 LEU CB C 39.593 0.050 1 434 100 100 LEU N N 119.041 0.050 1 435 101 101 LYS H H 7.939 0.005 1 436 101 101 LYS C C 180.315 0.050 1 437 101 101 LYS CA C 60.008 0.050 1 438 101 101 LYS CB C 31.995 0.050 1 439 101 101 LYS N N 117.724 0.050 1 440 102 102 ASP H H 8.748 0.005 1 441 102 102 ASP C C 179.816 0.050 1 442 102 102 ASP CA C 57.100 0.050 1 443 102 102 ASP CB C 39.535 0.050 1 444 102 102 ASP N N 122.519 0.050 1 445 103 103 LEU H H 9.391 0.005 1 446 103 103 LEU C C 179.068 0.050 1 447 103 103 LEU CA C 58.289 0.050 1 448 103 103 LEU CB C 39.926 0.050 1 449 103 103 LEU N N 123.618 0.050 1 450 104 104 ARG H H 8.354 0.005 1 451 104 104 ARG C C 181.906 0.050 1 452 104 104 ARG CA C 59.138 0.050 1 453 104 104 ARG CB C 28.483 0.050 1 454 104 104 ARG N N 120.070 0.050 1 455 105 105 SER H H 8.706 0.005 1 456 105 105 SER C C 175.164 0.050 1 457 105 105 SER CA C 61.188 0.050 1 458 105 105 SER CB C 62.362 0.050 1 459 105 105 SER N N 117.156 0.050 1 460 106 106 ASN H H 7.450 0.005 1 461 106 106 ASN C C 172.382 0.050 1 462 106 106 ASN CA C 53.654 0.050 1 463 106 106 ASN CB C 39.428 0.050 1 464 106 106 ASN N N 118.205 0.050 1 465 107 107 LYS H H 7.925 0.005 1 466 107 107 LYS C C 175.077 0.050 1 467 107 107 LYS CA C 56.910 0.050 1 468 107 107 LYS CB C 27.330 0.050 1 469 107 107 LYS N N 114.712 0.050 1 470 108 108 ILE H H 7.995 0.005 1 471 108 108 ILE C C 175.756 0.050 1 472 108 108 ILE CA C 60.007 0.050 1 473 108 108 ILE CB C 36.944 0.050 1 474 108 108 ILE N N 122.368 0.050 1 475 109 109 LYS H H 7.730 0.005 1 476 109 109 LYS C C 175.827 0.050 1 477 109 109 LYS CA C 54.893 0.050 1 478 109 109 LYS CB C 32.544 0.050 1 479 109 109 LYS N N 125.050 0.050 1 480 110 110 ILE H H 9.311 0.005 1 481 110 110 ILE C C 175.833 0.050 1 482 110 110 ILE CA C 60.981 0.050 1 483 110 110 ILE CB C 40.212 0.050 1 484 110 110 ILE N N 122.086 0.050 1 485 111 111 ALA H H 8.831 0.005 1 486 111 111 ALA C C 176.175 0.050 1 487 111 111 ALA CA C 49.100 0.050 1 488 111 111 ALA CB C 23.160 0.050 1 489 111 111 ALA N N 127.880 0.050 1 490 112 112 LEU H H 8.529 0.005 1 491 112 112 LEU C C 174.033 0.050 1 492 112 112 LEU CA C 54.038 0.050 1 493 112 112 LEU CB C 42.123 0.050 1 494 112 112 LEU N N 123.770 0.050 1 495 113 113 ALA H H 9.248 0.005 1 496 113 113 ALA C C 172.963 0.050 1 497 113 113 ALA CA C 49.422 0.050 1 498 113 113 ALA CB C 19.044 0.050 1 499 113 113 ALA N N 134.624 0.050 1 500 114 114 SER H H 7.172 0.005 1 501 114 114 SER C C 174.366 0.050 1 502 114 114 SER CA C 55.612 0.050 1 503 114 114 SER CB C 64.544 0.050 1 504 114 114 SER N N 110.680 0.050 1 505 115 115 ALA H H 8.957 0.005 1 506 115 115 ALA C C 176.964 0.050 1 507 115 115 ALA CA C 51.568 0.050 1 508 115 115 ALA CB C 18.148 0.050 1 509 115 115 ALA N N 129.503 0.050 1 510 116 116 SER H H 8.264 0.005 1 511 116 116 SER CA C 57.635 0.050 1 512 116 116 SER CB C 63.526 0.050 1 513 116 116 SER N N 113.382 0.050 1 514 118 118 ASN C C 174.700 0.050 1 515 118 118 ASN CA C 53.025 0.050 1 516 118 118 ASN CB C 38.662 0.050 1 517 119 119 GLY H H 7.549 0.005 1 518 119 119 GLY C C 172.160 0.050 1 519 119 119 GLY CA C 48.294 0.050 1 520 119 119 GLY N N 106.257 0.050 1 521 120 120 PRO C C 179.186 0.050 1 522 120 120 PRO CA C 65.635 0.050 1 523 120 120 PRO CB C 30.561 0.050 1 524 121 121 PHE H H 7.706 0.005 1 525 121 121 PHE C C 177.325 0.050 1 526 121 121 PHE CA C 60.401 0.050 1 527 121 121 PHE CB C 38.730 0.050 1 528 121 121 PHE N N 119.333 0.050 1 529 122 122 LEU H H 8.220 0.005 1 530 122 122 LEU C C 178.766 0.050 1 531 122 122 LEU CA C 57.675 0.050 1 532 122 122 LEU CB C 40.528 0.050 1 533 122 122 LEU N N 119.844 0.050 1 534 123 123 LEU H H 8.275 0.005 1 535 123 123 LEU C C 178.944 0.050 1 536 123 123 LEU CA C 58.138 0.050 1 537 123 123 LEU CB C 40.186 0.050 1 538 123 123 LEU N N 117.301 0.050 1 539 124 124 GLU H H 7.580 0.005 1 540 124 124 GLU C C 180.881 0.050 1 541 124 124 GLU CA C 58.711 0.050 1 542 124 124 GLU CB C 27.934 0.050 1 543 124 124 GLU N N 121.015 0.050 1 544 125 125 ARG H H 8.059 0.005 1 545 125 125 ARG C C 178.411 0.050 1 546 125 125 ARG CA C 56.739 0.050 1 547 125 125 ARG CB C 28.144 0.050 1 548 125 125 ARG N N 120.933 0.050 1 549 126 126 MET H H 7.338 0.005 1 550 126 126 MET C C 173.601 0.050 1 551 126 126 MET CA C 55.986 0.050 1 552 126 126 MET CB C 32.506 0.050 1 553 126 126 MET N N 113.349 0.050 1 554 127 127 ASN H H 8.006 0.005 1 555 127 127 ASN C C 175.812 0.050 1 556 127 127 ASN CA C 53.566 0.050 1 557 127 127 ASN CB C 36.586 0.050 1 558 127 127 ASN N N 116.825 0.050 1 559 128 128 LEU H H 8.701 0.005 1 560 128 128 LEU C C 177.861 0.050 1 561 128 128 LEU CA C 53.696 0.050 1 562 128 128 LEU CB C 44.311 0.050 1 563 128 128 LEU N N 113.968 0.050 1 564 129 129 THR H H 7.381 0.005 1 565 129 129 THR C C 176.303 0.050 1 566 129 129 THR CA C 67.052 0.050 1 567 129 129 THR CB C 68.627 0.050 1 568 129 129 THR N N 115.581 0.050 1 569 130 130 GLY H H 8.587 0.005 1 570 130 130 GLY C C 174.851 0.050 1 571 130 130 GLY CA C 45.590 0.050 1 572 130 130 GLY N N 106.088 0.050 1 573 131 131 TYR H H 7.775 0.005 1 574 131 131 TYR C C 174.573 0.050 1 575 131 131 TYR CA C 59.554 0.050 1 576 131 131 TYR CB C 38.827 0.050 1 577 131 131 TYR N N 116.067 0.050 1 578 132 132 PHE H H 7.369 0.005 1 579 132 132 PHE C C 175.806 0.050 1 580 132 132 PHE CA C 58.289 0.050 1 581 132 132 PHE CB C 39.169 0.050 1 582 132 132 PHE N N 115.320 0.050 1 583 133 133 ASP H H 9.203 0.005 1 584 133 133 ASP C C 176.300 0.050 1 585 133 133 ASP CA C 56.515 0.050 1 586 133 133 ASP CB C 42.413 0.050 1 587 133 133 ASP N N 124.347 0.050 1 588 134 134 ALA H H 7.665 0.005 1 589 134 134 ALA C C 175.399 0.050 1 590 134 134 ALA CA C 51.819 0.050 1 591 134 134 ALA CB C 22.908 0.050 1 592 134 134 ALA N N 116.228 0.050 1 593 135 135 ILE H H 8.589 0.005 1 594 135 135 ILE C C 175.329 0.050 1 595 135 135 ILE CA C 60.437 0.050 1 596 135 135 ILE CB C 39.644 0.050 1 597 135 135 ILE N N 122.132 0.050 1 598 136 136 ALA H H 8.295 0.005 1 599 136 136 ALA C C 176.255 0.050 1 600 136 136 ALA CA C 52.184 0.050 1 601 136 136 ALA CB C 18.358 0.050 1 602 136 136 ALA N N 129.789 0.050 1 603 137 137 ASP H H 8.483 0.005 1 604 137 137 ASP C C 175.503 0.050 1 605 137 137 ASP CA C 51.170 0.050 1 606 137 137 ASP CB C 41.034 0.050 1 607 137 137 ASP N N 122.760 0.050 1 608 138 138 PRO C C 177.373 0.050 1 609 138 138 PRO CA C 63.291 0.050 1 610 138 138 PRO CB C 31.224 0.050 1 611 139 139 ALA H H 8.332 0.005 1 612 139 139 ALA C C 178.894 0.050 1 613 139 139 ALA CA C 52.989 0.050 1 614 139 139 ALA CB C 18.113 0.050 1 615 139 139 ALA N N 122.559 0.050 1 616 140 140 GLU H H 7.986 0.005 1 617 140 140 GLU C C 177.406 0.050 1 618 140 140 GLU CA C 56.762 0.050 1 619 140 140 GLU CB C 29.230 0.050 1 620 140 140 GLU N N 118.996 0.050 1 621 141 141 VAL H H 7.715 0.005 1 622 141 141 VAL C C 176.394 0.050 1 623 141 141 VAL CA C 62.123 0.050 1 624 141 141 VAL CB C 31.508 0.050 1 625 141 141 VAL N N 118.547 0.050 1 626 142 142 ALA H H 8.115 0.005 1 627 142 142 ALA C C 177.751 0.050 1 628 142 142 ALA CA C 52.596 0.050 1 629 142 142 ALA CB C 18.127 0.050 1 630 142 142 ALA N N 125.770 0.050 1 631 143 143 ALA H H 7.975 0.005 1 632 143 143 ALA C C 177.903 0.050 1 633 143 143 ALA CA C 52.307 0.050 1 634 143 143 ALA CB C 18.158 0.050 1 635 143 143 ALA N N 121.734 0.050 1 636 144 144 SER H H 7.961 0.005 1 637 144 144 SER C C 174.752 0.050 1 638 144 144 SER CA C 58.228 0.050 1 639 144 144 SER CB C 63.114 0.050 1 640 144 144 SER N N 113.772 0.050 1 641 145 145 LYS H H 8.163 0.005 1 642 145 145 LYS C C 175.814 0.050 1 643 145 145 LYS CA C 56.066 0.050 1 644 145 145 LYS CB C 32.038 0.050 1 645 145 145 LYS N N 122.855 0.050 1 646 146 146 ALA H H 8.215 0.005 1 647 146 146 ALA C C 176.915 0.050 1 648 146 146 ALA CA C 51.517 0.050 1 649 146 146 ALA CB C 18.852 0.050 1 650 146 146 ALA N N 123.494 0.050 1 651 147 147 ALA H H 8.215 0.005 1 652 147 147 ALA C C 176.553 0.050 1 653 147 147 ALA CA C 52.693 0.050 1 654 147 147 ALA CB C 17.498 0.050 1 655 147 147 ALA N N 124.209 0.050 1 656 148 148 PRO C C 177.580 0.050 1 657 148 148 PRO CA C 64.616 0.050 1 658 148 148 PRO CB C 30.605 0.050 1 659 149 149 ASP H H 8.116 0.005 1 660 149 149 ASP C C 178.330 0.050 1 661 149 149 ASP CA C 56.681 0.050 1 662 149 149 ASP CB C 39.703 0.050 1 663 149 149 ASP N N 116.448 0.050 1 664 150 150 ILE H H 7.976 0.005 1 665 150 150 ILE C C 176.662 0.050 1 666 150 150 ILE CA C 62.727 0.050 1 667 150 150 ILE CB C 36.957 0.050 1 668 150 150 ILE N N 120.374 0.050 1 669 151 151 PHE H H 7.168 0.005 1 670 151 151 PHE C C 177.730 0.050 1 671 151 151 PHE CA C 62.727 0.050 1 672 151 151 PHE CB C 37.844 0.050 1 673 151 151 PHE N N 120.768 0.050 1 674 152 152 ILE H H 8.004 0.005 1 675 152 152 ILE C C 177.822 0.050 1 676 152 152 ILE CA C 65.611 0.050 1 677 152 152 ILE CB C 37.431 0.050 1 678 152 152 ILE N N 120.258 0.050 1 679 153 153 ALA H H 8.215 0.005 1 680 153 153 ALA C C 180.967 0.050 1 681 153 153 ALA CA C 54.360 0.050 1 682 153 153 ALA CB C 17.274 0.050 1 683 153 153 ALA N N 120.296 0.050 1 684 154 154 ALA H H 7.780 0.005 1 685 154 154 ALA C C 176.983 0.050 1 686 154 154 ALA CA C 54.798 0.050 1 687 154 154 ALA CB C 18.214 0.050 1 688 154 154 ALA N N 122.461 0.050 1 689 155 155 ALA H H 7.604 0.005 1 690 155 155 ALA C C 179.803 0.050 1 691 155 155 ALA CA C 54.346 0.050 1 692 155 155 ALA CB C 15.862 0.050 1 693 155 155 ALA N N 118.975 0.050 1 694 156 156 HIS H H 8.424 0.005 1 695 156 156 HIS C C 179.726 0.050 1 696 156 156 HIS CA C 58.209 0.050 1 697 156 156 HIS CB C 29.017 0.050 1 698 156 156 HIS N N 116.626 0.050 1 699 157 157 ALA H H 8.321 0.005 1 700 157 157 ALA C C 179.397 0.050 1 701 157 157 ALA CA C 54.193 0.050 1 702 157 157 ALA CB C 17.495 0.050 1 703 157 157 ALA N N 122.238 0.050 1 704 158 158 VAL H H 7.289 0.005 1 705 158 158 VAL C C 175.535 0.050 1 706 158 158 VAL CA C 59.491 0.050 1 707 158 158 VAL CB C 30.436 0.050 1 708 158 158 VAL N N 107.764 0.050 1 709 159 159 GLY H H 7.818 0.005 1 710 159 159 GLY C C 174.637 0.050 1 711 159 159 GLY CA C 45.997 0.050 1 712 159 159 GLY N N 110.210 0.050 1 713 160 160 VAL H H 7.737 0.005 1 714 160 160 VAL C C 174.141 0.050 1 715 160 160 VAL CA C 58.922 0.050 1 716 160 160 VAL CB C 33.892 0.050 1 717 160 160 VAL N N 116.891 0.050 1 718 161 161 ALA H H 8.678 0.005 1 719 161 161 ALA C C 178.746 0.050 1 720 161 161 ALA CA C 49.538 0.050 1 721 161 161 ALA CB C 17.206 0.050 1 722 161 161 ALA N N 125.537 0.050 1 723 162 162 PRO C C 177.523 0.050 1 724 162 162 PRO CA C 65.788 0.050 1 725 162 162 PRO CB C 30.974 0.050 1 726 163 163 SER H H 7.731 0.005 1 727 163 163 SER C C 175.969 0.050 1 728 163 163 SER CA C 59.809 0.050 1 729 163 163 SER CB C 61.870 0.050 1 730 163 163 SER N N 106.656 0.050 1 731 164 164 GLU H H 7.859 0.005 1 732 164 164 GLU C C 174.798 0.050 1 733 164 164 GLU CA C 55.539 0.050 1 734 164 164 GLU CB C 29.276 0.050 1 735 164 164 GLU N N 121.724 0.050 1 736 165 165 SER H H 8.049 0.005 1 737 165 165 SER C C 172.125 0.050 1 738 165 165 SER CA C 57.591 0.050 1 739 165 165 SER CB C 65.403 0.050 1 740 165 165 SER N N 114.907 0.050 1 741 166 166 ILE H H 7.744 0.005 1 742 166 166 ILE C C 175.349 0.050 1 743 166 166 ILE CA C 58.838 0.050 1 744 166 166 ILE CB C 40.709 0.050 1 745 166 166 ILE N N 121.796 0.050 1 746 167 167 GLY H H 8.702 0.005 1 747 167 167 GLY C C 170.369 0.050 1 748 167 167 GLY CA C 43.349 0.050 1 749 167 167 GLY N N 112.328 0.050 1 750 168 168 LEU H H 7.970 0.005 1 751 168 168 LEU C C 175.139 0.050 1 752 168 168 LEU CA C 53.486 0.050 1 753 168 168 LEU CB C 40.922 0.050 1 754 168 168 LEU N N 123.469 0.050 1 755 169 169 GLU H H 6.897 0.005 1 756 169 169 GLU C C 174.708 0.050 1 757 169 169 GLU CA C 57.555 0.050 1 758 169 169 GLU N N 123.988 0.050 1 759 171 171 SER C C 173.928 0.050 1 760 171 171 SER CA C 56.178 0.050 1 761 171 171 SER CB C 66.988 0.050 1 762 172 172 GLN H H 9.198 0.005 1 763 172 172 GLN C C 178.445 0.050 1 764 172 172 GLN CA C 59.760 0.050 1 765 172 172 GLN CB C 27.332 0.050 1 766 172 172 GLN N N 126.002 0.050 1 767 173 173 ALA H H 8.884 0.005 1 768 173 173 ALA C C 180.877 0.050 1 769 173 173 ALA CA C 54.334 0.050 1 770 173 173 ALA CB C 17.185 0.050 1 771 173 173 ALA N N 120.963 0.050 1 772 174 174 GLY H H 7.888 0.005 1 773 174 174 GLY C C 175.387 0.050 1 774 174 174 GLY CA C 45.792 0.050 1 775 174 174 GLY N N 108.381 0.050 1 776 175 175 ILE H H 8.195 0.005 1 777 175 175 ILE C C 177.918 0.050 1 778 175 175 ILE CA C 62.691 0.050 1 779 175 175 ILE CB C 34.878 0.050 1 780 175 175 ILE N N 122.846 0.050 1 781 176 176 GLN H H 7.932 0.005 1 782 176 176 GLN C C 177.094 0.050 1 783 176 176 GLN CA C 57.871 0.050 1 784 176 176 GLN CB C 27.061 0.050 1 785 176 176 GLN N N 119.516 0.050 1 786 177 177 ALA H H 7.795 0.005 1 787 177 177 ALA C C 179.990 0.050 1 788 177 177 ALA CA C 54.766 0.050 1 789 177 177 ALA CB C 17.534 0.050 1 790 177 177 ALA N N 122.290 0.050 1 791 178 178 ILE H H 7.966 0.005 1 792 178 178 ILE C C 180.002 0.050 1 793 178 178 ILE CA C 64.948 0.050 1 794 178 178 ILE CB C 36.336 0.050 1 795 178 178 ILE N N 118.981 0.050 1 796 179 179 LYS H H 8.338 0.005 1 797 179 179 LYS C C 181.030 0.050 1 798 179 179 LYS CA C 59.578 0.050 1 799 179 179 LYS CB C 31.538 0.050 1 800 179 179 LYS N N 121.172 0.050 1 801 180 180 ASP H H 8.810 0.005 1 802 180 180 ASP C C 178.145 0.050 1 803 180 180 ASP CA C 56.663 0.050 1 804 180 180 ASP CB C 39.583 0.050 1 805 180 180 ASP N N 120.627 0.050 1 806 181 181 SER H H 8.031 0.005 1 807 181 181 SER C C 173.747 0.050 1 808 181 181 SER CA C 60.552 0.050 1 809 181 181 SER CB C 64.491 0.050 1 810 181 181 SER N N 116.287 0.050 1 811 182 182 GLY H H 7.422 0.005 1 812 182 182 GLY C C 173.419 0.050 1 813 182 182 GLY CA C 43.963 0.050 1 814 182 182 GLY N N 108.696 0.050 1 815 183 183 ALA H H 7.123 0.005 1 816 183 183 ALA C C 174.940 0.050 1 817 183 183 ALA CA C 50.733 0.050 1 818 183 183 ALA CB C 19.629 0.050 1 819 183 183 ALA N N 124.222 0.050 1 820 184 184 LEU H H 8.154 0.005 1 821 184 184 LEU C C 175.749 0.050 1 822 184 184 LEU CA C 51.628 0.050 1 823 184 184 LEU CB C 43.258 0.050 1 824 184 184 LEU N N 122.621 0.050 1 825 185 185 PRO C C 176.510 0.050 1 826 185 185 PRO CA C 61.124 0.050 1 827 185 185 PRO CB C 31.950 0.050 1 828 186 186 ILE H H 8.265 0.005 1 829 186 186 ILE C C 178.491 0.050 1 830 186 186 ILE CA C 61.479 0.050 1 831 186 186 ILE CB C 38.158 0.050 1 832 186 186 ILE N N 119.188 0.050 1 833 187 187 GLY H H 8.908 0.005 1 834 187 187 GLY C C 171.106 0.050 1 835 187 187 GLY CA C 44.945 0.050 1 836 187 187 GLY N N 115.661 0.050 1 837 188 188 VAL H H 7.772 0.005 1 838 188 188 VAL C C 174.002 0.050 1 839 188 188 VAL CA C 57.154 0.050 1 840 188 188 VAL CB C 32.001 0.050 1 841 188 188 VAL N N 118.248 0.050 1 842 189 189 GLY H H 8.387 0.005 1 843 189 189 GLY C C 171.061 0.050 1 844 189 189 GLY CA C 44.066 0.050 1 845 189 189 GLY N N 113.627 0.050 1 846 190 190 ARG H H 8.631 0.005 1 847 190 190 ARG C C 175.957 0.050 1 848 190 190 ARG CA C 52.595 0.050 1 849 190 190 ARG CB C 29.830 0.050 1 850 190 190 ARG N N 120.606 0.050 1 851 191 191 PRO C C 178.787 0.050 1 852 191 191 PRO CA C 64.585 0.050 1 853 191 191 PRO CB C 30.755 0.050 1 854 192 192 GLU H H 9.656 0.005 1 855 192 192 GLU C C 176.850 0.050 1 856 192 192 GLU CA C 59.215 0.050 1 857 192 192 GLU CB C 27.557 0.050 1 858 192 192 GLU N N 118.476 0.050 1 859 193 193 ASP H H 7.214 0.005 1 860 193 193 ASP C C 176.791 0.050 1 861 193 193 ASP CA C 54.865 0.050 1 862 193 193 ASP CB C 41.836 0.050 1 863 193 193 ASP N N 115.612 0.050 1 864 194 194 LEU H H 7.594 0.005 1 865 194 194 LEU C C 176.209 0.050 1 866 194 194 LEU CA C 55.840 0.050 1 867 194 194 LEU CB C 42.849 0.050 1 868 194 194 LEU N N 117.365 0.050 1 869 195 195 GLY H H 8.018 0.005 1 870 195 195 GLY C C 172.777 0.050 1 871 195 195 GLY CA C 43.678 0.050 1 872 195 195 GLY N N 107.098 0.050 1 873 196 196 ASP H H 7.970 0.005 1 874 196 196 ASP C C 176.913 0.050 1 875 196 196 ASP CA C 53.840 0.050 1 876 196 196 ASP CB C 41.277 0.050 1 877 196 196 ASP N N 116.808 0.050 1 878 197 197 ASP H H 8.797 0.005 1 879 197 197 ASP C C 175.250 0.050 1 880 197 197 ASP CA C 53.682 0.050 1 881 197 197 ASP CB C 39.594 0.050 1 882 197 197 ASP N N 117.394 0.050 1 883 198 198 ILE H H 6.964 0.005 1 884 198 198 ILE C C 175.355 0.050 1 885 198 198 ILE CA C 58.133 0.050 1 886 198 198 ILE CB C 40.145 0.050 1 887 198 198 ILE N N 115.124 0.050 1 888 199 199 VAL H H 9.033 0.005 1 889 199 199 VAL C C 174.275 0.050 1 890 199 199 VAL CA C 63.736 0.050 1 891 199 199 VAL CB C 30.209 0.050 1 892 199 199 VAL N N 126.366 0.050 1 893 200 200 ILE H H 7.978 0.005 1 894 200 200 ILE C C 176.107 0.050 1 895 200 200 ILE CA C 58.173 0.050 1 896 200 200 ILE CB C 41.134 0.050 1 897 200 200 ILE N N 125.572 0.050 1 898 201 201 VAL H H 8.731 0.005 1 899 201 201 VAL C C 174.376 0.050 1 900 201 201 VAL CA C 56.304 0.050 1 901 201 201 VAL CB C 31.656 0.050 1 902 201 201 VAL N N 119.485 0.050 1 903 202 202 PRO C C 177.223 0.050 1 904 202 202 PRO CA C 63.946 0.050 1 905 202 202 PRO CB C 31.000 0.050 1 906 203 203 ASP H H 6.839 0.005 1 907 203 203 ASP C C 175.778 0.050 1 908 203 203 ASP CA C 53.056 0.050 1 909 203 203 ASP CB C 41.571 0.050 1 910 203 203 ASP N N 109.864 0.050 1 911 204 204 THR H H 8.217 0.005 1 912 204 204 THR C C 176.506 0.050 1 913 204 204 THR CA C 65.296 0.050 1 914 204 204 THR CB C 68.909 0.050 1 915 204 204 THR N N 109.127 0.050 1 916 205 205 SER H H 8.853 0.005 1 917 205 205 SER C C 175.599 0.050 1 918 205 205 SER CA C 61.252 0.050 1 919 205 205 SER CB C 62.057 0.050 1 920 205 205 SER N N 119.281 0.050 1 921 206 206 HIS H H 7.260 0.005 1 922 206 206 HIS C C 176.744 0.050 1 923 206 206 HIS CA C 56.773 0.050 1 924 206 206 HIS CB C 30.212 0.050 1 925 206 206 HIS N N 118.153 0.050 1 926 207 207 TYR H H 7.789 0.005 1 927 207 207 TYR C C 173.518 0.050 1 928 207 207 TYR CA C 54.346 0.050 1 929 207 207 TYR CB C 35.331 0.050 1 930 207 207 TYR N N 120.095 0.050 1 931 208 208 THR H H 7.350 0.005 1 932 208 208 THR C C 174.688 0.050 1 933 208 208 THR CA C 57.944 0.050 1 934 208 208 THR CB C 71.151 0.050 1 935 208 208 THR N N 114.293 0.050 1 936 209 209 LEU H H 9.500 0.005 1 937 209 209 LEU C C 177.856 0.050 1 938 209 209 LEU CA C 58.285 0.050 1 939 209 209 LEU CB C 39.852 0.050 1 940 209 209 LEU N N 124.980 0.050 1 941 210 210 GLU H H 8.599 0.005 1 942 210 210 GLU C C 178.847 0.050 1 943 210 210 GLU CA C 59.502 0.050 1 944 210 210 GLU CB C 28.419 0.050 1 945 210 210 GLU N N 116.610 0.050 1 946 211 211 PHE H H 8.185 0.005 1 947 211 211 PHE C C 176.777 0.050 1 948 211 211 PHE CA C 60.917 0.050 1 949 211 211 PHE CB C 39.416 0.050 1 950 211 211 PHE N N 122.070 0.050 1 951 212 212 LEU H H 8.385 0.005 1 952 212 212 LEU C C 179.077 0.050 1 953 212 212 LEU CA C 58.937 0.050 1 954 212 212 LEU CB C 39.907 0.050 1 955 212 212 LEU N N 119.540 0.050 1 956 213 213 LYS H H 8.427 0.005 1 957 213 213 LYS C C 178.107 0.050 1 958 213 213 LYS CA C 60.540 0.050 1 959 213 213 LYS CB C 31.991 0.050 1 960 213 213 LYS N N 116.058 0.050 1 961 214 214 GLU H H 7.782 0.005 1 962 214 214 GLU C C 179.643 0.050 1 963 214 214 GLU CA C 59.145 0.050 1 964 214 214 GLU CB C 28.507 0.050 1 965 214 214 GLU N N 120.282 0.050 1 966 215 215 VAL H H 8.230 0.005 1 967 215 215 VAL C C 178.436 0.050 1 968 215 215 VAL CA C 65.730 0.050 1 969 215 215 VAL CB C 30.681 0.050 1 970 215 215 VAL N N 120.147 0.050 1 971 216 216 TRP H H 8.464 0.005 1 972 216 216 TRP C C 178.685 0.050 1 973 216 216 TRP CA C 60.603 0.050 1 974 216 216 TRP CB C 29.040 0.050 1 975 216 216 TRP N N 120.624 0.050 1 976 217 217 LEU H H 8.220 0.005 1 977 217 217 LEU C C 179.930 0.050 1 978 217 217 LEU CA C 57.060 0.050 1 979 217 217 LEU CB C 40.950 0.050 1 980 217 217 LEU N N 116.921 0.050 1 981 218 218 GLN H H 7.841 0.005 1 982 218 218 GLN C C 177.750 0.050 1 983 218 218 GLN CA C 57.142 0.050 1 984 218 218 GLN CB C 27.905 0.050 1 985 218 218 GLN N N 118.058 0.050 1 986 219 219 LYS H H 7.571 0.005 1 987 219 219 LYS C C 176.638 0.050 1 988 219 219 LYS CA C 55.411 0.050 1 989 219 219 LYS CB C 31.205 0.050 1 990 219 219 LYS N N 117.866 0.050 1 991 220 220 GLN H H 7.654 0.005 1 992 220 220 GLN C C 175.077 0.050 1 993 220 220 GLN CA C 55.135 0.050 1 994 220 220 GLN CB C 27.712 0.050 1 995 220 220 GLN N N 119.765 0.050 1 996 221 221 LYS H H 7.569 0.005 1 997 221 221 LYS C C 181.528 0.050 1 998 221 221 LYS CA C 57.275 0.050 1 999 221 221 LYS CB C 32.299 0.050 1 1000 221 221 LYS N N 127.377 0.050 1 stop_ save_