data_28096 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C backbone resonance assignments of wild-type substrate-free beta-phosphoglucomutase from Lactococcus lactis with a trans K145-P146 peptide bond (conformer B) ; _BMRB_accession_number 28096 _BMRB_flat_file_name bmr28096.str _Entry_type original _Submission_date 2020-03-10 _Accession_date 2020-03-10 _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 Trevitt Clare R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 188 "13C chemical shifts" 582 "15N chemical shifts" 188 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-12-04 update BMRB 'update entry citation' 2020-11-02 update BMRB 'update entry citation' 2020-09-03 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 28095 'binary complex; bPGM-Mg; with cis K145-P146 peptide bond' 28097 'transition state analogue complex; bPGM-P146A-Mg-MgF3-G6P TSA' 7235 'Backbone NMR assignments of wild-type substrate-free beta-phosphoglucomutase with a cis K145-P146 peptide bond' stop_ _Original_release_date 2020-03-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Allomorphy as a mechanism of post-translational control of enzyme activity ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 33139716 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wood Henry P. . 2 Cruz-Navarrete F Aaron . 3 Baxter Nicola J. . 4 Trevitt Clare R. . 5 Robertson Angus J. . 6 Dix Samuel R. . 7 Hounslow Andrea M. . 8 Cliff Matthew J. . 9 Waltho Jonathan P. . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_volume 11 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5538 _Page_last 5538 _Year 2020 _Details . loop_ _Keyword 'NMR spectroscopy' 'X-ray crystallography' allomorphy 'cis-trans proline isomerisation' 'enzyme regulation' 'phosphoryl transfer enzyme' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'bPGM-Mg complex' _Enzyme_commission_number 'EC 5.4.2.6' loop_ _Mol_system_component_name _Mol_label bPGM $beta-phosphoglucomutase Mg $entity_MG stop_ _System_molecular_weight 24233.95 _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 wild-type substrate-free beta-phosphoglucomutase and a catalytic Mg ion with a trans K145-P146 peptide bond. ; save_ ######################## # Monomeric polymers # ######################## save_beta-phosphoglucomutase _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common beta-phosphoglucomutase _Molecular_mass 24209.65 _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 VAASKPAPDIFIAAAHAVGV 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 PRO 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 'Lactococcus lactis' 1358 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 1.0 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]' TSP 2 mM [U-2H] TRIS 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing 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_ save_3D_TROSY_(H)N(COCA)NNH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY (H)N(COCA)NNH' _Sample_label $sample_1 save_ save_3D_TROSY_H-(NCOCA)NNH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY H-(NCOCA)NNH' _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' 74 . 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 . 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 _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 174.643 0.050 1 2 2 2 PHE H H 5.292 0.005 1 3 2 2 PHE C C 173.870 0.050 1 4 2 2 PHE CA C 55.858 0.050 1 5 2 2 PHE CB C 35.899 0.050 1 6 2 2 PHE N N 117.168 0.050 1 7 3 3 LYS H H 8.787 0.005 1 8 3 3 LYS C C 176.658 0.050 1 9 3 3 LYS CA C 55.638 0.050 1 10 3 3 LYS CB C 35.659 0.050 1 11 3 3 LYS N N 116.126 0.050 1 12 4 4 ALA H H 7.687 0.005 1 13 4 4 ALA C C 175.322 0.050 1 14 4 4 ALA CA C 50.666 0.050 1 15 4 4 ALA CB C 22.576 0.050 1 16 4 4 ALA N N 121.130 0.050 1 17 5 5 VAL H H 8.681 0.005 1 18 5 5 VAL C C 172.762 0.050 1 19 5 5 VAL CA C 61.022 0.050 1 20 5 5 VAL CB C 32.696 0.050 1 21 5 5 VAL N N 120.017 0.050 1 22 6 6 LEU H H 9.317 0.005 1 23 6 6 LEU C C 175.592 0.050 1 24 6 6 LEU CA C 51.752 0.050 1 25 6 6 LEU CB C 40.748 0.050 1 26 6 6 LEU N N 126.086 0.050 1 27 7 7 PHE H H 9.403 0.005 1 28 7 7 PHE C C 177.338 0.050 1 29 7 7 PHE CA C 59.032 0.050 1 30 7 7 PHE CB C 40.880 0.050 1 31 7 7 PHE N N 121.979 0.050 1 32 8 8 ASP H H 7.154 0.005 1 33 8 8 ASP CA C 54.593 0.050 1 34 8 8 ASP N N 121.393 0.050 1 35 11 11 GLY C C 171.768 0.050 1 36 11 11 GLY CA C 44.915 0.050 1 37 12 12 VAL H H 7.476 0.005 1 38 12 12 VAL C C 172.846 0.050 1 39 12 12 VAL CA C 64.207 0.050 1 40 12 12 VAL CB C 33.242 0.050 1 41 12 12 VAL N N 118.253 0.050 1 42 13 13 ILE H H 8.111 0.005 1 43 13 13 ILE C C 175.418 0.050 1 44 13 13 ILE CA C 63.566 0.050 1 45 13 13 ILE CB C 38.359 0.050 1 46 13 13 ILE N N 114.571 0.050 1 47 14 14 THR H H 7.218 0.005 1 48 14 14 THR C C 175.715 0.050 1 49 14 14 THR CA C 59.233 0.050 1 50 14 14 THR CB C 67.198 0.050 1 51 14 14 THR N N 109.475 0.050 1 52 15 15 ASP H H 8.219 0.005 1 53 15 15 ASP C C 176.598 0.050 1 54 15 15 ASP CA C 53.663 0.050 1 55 15 15 ASP N N 121.056 0.050 1 56 16 16 THR H H 9.194 0.005 1 57 16 16 THR C C 176.252 0.050 1 58 16 16 THR CA C 61.028 0.050 1 59 16 16 THR CB C 68.663 0.050 1 60 16 16 THR N N 115.009 0.050 1 61 17 17 ALA H H 9.024 0.005 1 62 17 17 ALA C C 180.996 0.050 1 63 17 17 ALA CA C 56.218 0.050 1 64 17 17 ALA CB C 18.214 0.050 1 65 17 17 ALA N N 128.839 0.050 1 66 18 18 GLU H H 9.209 0.005 1 67 18 18 GLU C C 178.238 0.050 1 68 18 18 GLU CA C 58.426 0.050 1 69 18 18 GLU CB C 28.378 0.050 1 70 18 18 GLU N N 119.792 0.050 1 71 19 19 TYR H H 7.330 0.005 1 72 19 19 TYR C C 178.712 0.050 1 73 19 19 TYR CA C 60.867 0.050 1 74 19 19 TYR CB C 37.187 0.050 1 75 19 19 TYR N N 118.094 0.050 1 76 20 20 HIS H H 8.015 0.005 1 77 20 20 HIS C C 177.338 0.050 1 78 20 20 HIS CA C 61.697 0.050 1 79 20 20 HIS CB C 30.767 0.050 1 80 20 20 HIS N N 119.096 0.050 1 81 21 21 PHE H H 8.394 0.005 1 82 21 21 PHE C C 176.988 0.050 1 83 21 21 PHE CA C 60.217 0.050 1 84 21 21 PHE CB C 37.457 0.050 1 85 21 21 PHE N N 119.080 0.050 1 86 22 22 ARG H H 8.409 0.005 1 87 22 22 ARG C C 179.560 0.050 1 88 22 22 ARG CA C 59.306 0.050 1 89 22 22 ARG CB C 29.857 0.050 1 90 22 22 ARG N N 117.815 0.050 1 91 23 23 ALA H H 8.188 0.005 1 92 23 23 ALA C C 179.781 0.050 1 93 23 23 ALA CA C 55.263 0.050 1 94 23 23 ALA CB C 17.857 0.050 1 95 23 23 ALA N N 123.241 0.050 1 96 24 24 TRP H H 8.526 0.005 1 97 24 24 TRP C C 178.644 0.050 1 98 24 24 TRP CA C 59.291 0.050 1 99 24 24 TRP CB C 29.815 0.050 1 100 24 24 TRP N N 120.042 0.050 1 101 25 25 LYS H H 8.837 0.005 1 102 25 25 LYS C C 178.208 0.050 1 103 25 25 LYS CA C 59.595 0.050 1 104 25 25 LYS CB C 31.453 0.050 1 105 25 25 LYS N N 120.879 0.050 1 106 26 26 ALA H H 7.825 0.005 1 107 26 26 ALA C C 180.692 0.050 1 108 26 26 ALA CA C 54.159 0.050 1 109 26 26 ALA CB C 17.145 0.050 1 110 26 26 ALA N N 119.553 0.050 1 111 27 27 LEU H H 7.473 0.005 1 112 27 27 LEU C C 178.106 0.050 1 113 27 27 LEU CA C 57.087 0.050 1 114 27 27 LEU CB C 41.484 0.050 1 115 27 27 LEU N N 120.310 0.050 1 116 28 28 ALA H H 8.673 0.005 1 117 28 28 ALA C C 179.757 0.050 1 118 28 28 ALA CA C 55.033 0.050 1 119 28 28 ALA CB C 17.354 0.050 1 120 28 28 ALA N N 120.867 0.050 1 121 29 29 GLU H H 8.313 0.005 1 122 29 29 GLU C C 180.243 0.050 1 123 29 29 GLU CA C 58.742 0.050 1 124 29 29 GLU CB C 28.311 0.050 1 125 29 29 GLU N N 116.965 0.050 1 126 30 30 GLU H H 7.854 0.005 1 127 30 30 GLU C C 178.794 0.050 1 128 30 30 GLU CA C 58.873 0.050 1 129 30 30 GLU CB C 28.794 0.050 1 130 30 30 GLU N N 121.329 0.050 1 131 31 31 ILE H H 7.670 0.005 1 132 31 31 ILE C C 175.972 0.050 1 133 31 31 ILE CA C 61.013 0.050 1 134 31 31 ILE CB C 36.931 0.050 1 135 31 31 ILE N N 111.716 0.050 1 136 32 32 GLY H H 7.605 0.005 1 137 32 32 GLY C C 174.586 0.050 1 138 32 32 GLY CA C 45.997 0.050 1 139 32 32 GLY N N 109.548 0.050 1 140 33 33 ILE H H 8.264 0.005 1 141 33 33 ILE C C 175.019 0.050 1 142 33 33 ILE CA C 60.871 0.050 1 143 33 33 ILE CB C 38.307 0.050 1 144 33 33 ILE N N 122.195 0.050 1 145 34 34 ASN H H 8.519 0.005 1 146 34 34 ASN C C 175.177 0.050 1 147 34 34 ASN CA C 52.583 0.050 1 148 34 34 ASN CB C 39.477 0.050 1 149 34 34 ASN N N 125.894 0.050 1 150 35 35 GLY H H 7.952 0.005 1 151 35 35 GLY C C 174.204 0.050 1 152 35 35 GLY CA C 44.851 0.050 1 153 35 35 GLY N N 107.634 0.050 1 154 36 36 VAL H H 8.428 0.005 1 155 36 36 VAL C C 174.202 0.050 1 156 36 36 VAL CA C 62.367 0.050 1 157 36 36 VAL CB C 28.619 0.050 1 158 36 36 VAL N N 121.829 0.050 1 159 37 37 ASP H H 7.595 0.005 1 160 37 37 ASP C C 181.571 0.050 1 161 37 37 ASP CA C 51.677 0.050 1 162 37 37 ASP CB C 41.716 0.050 1 163 37 37 ASP N N 125.856 0.050 1 164 38 38 ARG C C 178.576 0.050 1 165 38 38 ARG CA C 59.245 0.050 1 166 38 38 ARG CB C 28.386 0.050 1 167 39 39 GLN H H 8.068 0.005 1 168 39 39 GLN C C 178.745 0.050 1 169 39 39 GLN CA C 58.452 0.050 1 170 39 39 GLN CB C 27.267 0.050 1 171 39 39 GLN N N 119.628 0.050 1 172 40 40 PHE H H 8.562 0.005 1 173 40 40 PHE C C 177.578 0.050 1 174 40 40 PHE CA C 61.181 0.050 1 175 40 40 PHE CB C 38.804 0.050 1 176 40 40 PHE N N 123.664 0.050 1 177 41 41 ASN H H 8.346 0.005 1 178 41 41 ASN C C 177.505 0.050 1 179 41 41 ASN CA C 56.054 0.050 1 180 41 41 ASN CB C 39.225 0.050 1 181 41 41 ASN N N 116.049 0.050 1 182 42 42 GLU H H 7.734 0.005 1 183 42 42 GLU C C 179.108 0.050 1 184 42 42 GLU CA C 58.705 0.050 1 185 42 42 GLU CB C 28.561 0.050 1 186 42 42 GLU N N 118.992 0.050 1 187 43 43 GLN H H 7.710 0.005 1 188 43 43 GLN C C 176.232 0.050 1 189 43 43 GLN CA C 56.374 0.050 1 190 43 43 GLN CB C 27.425 0.050 1 191 43 43 GLN N N 116.201 0.050 1 192 46 46 GLY C C 174.181 0.050 1 193 46 46 GLY CA C 45.444 0.050 1 194 47 47 VAL H H 7.468 0.005 1 195 47 47 VAL C C 176.411 0.050 1 196 47 47 VAL CA C 61.200 0.050 1 197 47 47 VAL CB C 31.668 0.050 1 198 47 47 VAL N N 120.126 0.050 1 199 53 53 LEU C C 178.248 0.050 1 200 53 53 LEU CA C 57.033 0.050 1 201 53 53 LEU CB C 39.336 0.050 1 202 54 54 GLN H H 8.187 0.005 1 203 54 54 GLN C C 177.221 0.050 1 204 54 54 GLN CA C 58.199 0.050 1 205 54 54 GLN CB C 27.944 0.050 1 206 54 54 GLN N N 117.709 0.050 1 207 55 55 LYS H H 7.587 0.005 1 208 55 55 LYS C C 179.565 0.050 1 209 55 55 LYS CA C 59.183 0.050 1 210 55 55 LYS CB C 31.343 0.050 1 211 55 55 LYS N N 117.767 0.050 1 212 56 56 ILE H H 7.525 0.005 1 213 56 56 ILE C C 177.418 0.050 1 214 56 56 ILE CA C 64.892 0.050 1 215 56 56 ILE CB C 37.100 0.050 1 216 56 56 ILE N N 120.253 0.050 1 217 57 57 LEU H H 8.311 0.005 1 218 57 57 LEU C C 180.803 0.050 1 219 57 57 LEU CA C 57.782 0.050 1 220 57 57 LEU CB C 38.962 0.050 1 221 57 57 LEU N N 119.474 0.050 1 222 58 58 ASP H H 8.667 0.005 1 223 58 58 ASP C C 179.485 0.050 1 224 58 58 ASP CA C 56.407 0.050 1 225 58 58 ASP CB C 39.507 0.050 1 226 58 58 ASP N N 119.247 0.050 1 227 59 59 LEU H H 7.727 0.005 1 228 59 59 LEU C C 178.331 0.050 1 229 59 59 LEU CA C 57.299 0.050 1 230 59 59 LEU CB C 40.916 0.050 1 231 59 59 LEU N N 122.529 0.050 1 232 60 60 ALA H H 7.234 0.005 1 233 60 60 ALA C C 176.015 0.050 1 234 60 60 ALA CA C 50.370 0.050 1 235 60 60 ALA CB C 20.037 0.050 1 236 60 60 ALA N N 118.970 0.050 1 237 61 61 ASP H H 7.887 0.005 1 238 61 61 ASP C C 174.730 0.050 1 239 61 61 ASP CA C 54.992 0.050 1 240 61 61 ASP CB C 39.374 0.050 1 241 61 61 ASP N N 120.237 0.050 1 242 62 62 LYS H H 7.836 0.005 1 243 62 62 LYS C C 175.500 0.050 1 244 62 62 LYS CA C 55.352 0.050 1 245 62 62 LYS CB C 33.173 0.050 1 246 62 62 LYS N N 118.423 0.050 1 247 63 63 LYS H H 8.511 0.005 1 248 63 63 LYS C C 176.365 0.050 1 249 63 63 LYS CA C 54.445 0.050 1 250 63 63 LYS CB C 32.182 0.050 1 251 63 63 LYS N N 126.509 0.050 1 252 64 64 VAL H H 8.441 0.005 1 253 64 64 VAL C C 175.826 0.050 1 254 64 64 VAL CA C 58.270 0.050 1 255 64 64 VAL CB C 34.350 0.050 1 256 64 64 VAL N N 116.389 0.050 1 257 65 65 SER H H 9.033 0.005 1 258 65 65 SER C C 174.666 0.050 1 259 65 65 SER CA C 57.066 0.050 1 260 65 65 SER CB C 64.779 0.050 1 261 65 65 SER N N 119.417 0.050 1 262 66 66 ALA H H 8.932 0.005 1 263 66 66 ALA C C 181.069 0.050 1 264 66 66 ALA CA C 55.065 0.050 1 265 66 66 ALA CB C 17.195 0.050 1 266 66 66 ALA N N 124.046 0.050 1 267 67 67 GLU H H 8.602 0.005 1 268 67 67 GLU C C 179.491 0.050 1 269 67 67 GLU CA C 59.422 0.050 1 270 67 67 GLU CB C 28.349 0.050 1 271 67 67 GLU N N 117.938 0.050 1 272 68 68 GLU H H 7.900 0.005 1 273 68 68 GLU C C 178.740 0.050 1 274 68 68 GLU CA C 58.666 0.050 1 275 68 68 GLU CB C 29.376 0.050 1 276 68 68 GLU N N 122.551 0.050 1 277 69 69 PHE H H 8.899 0.005 1 278 69 69 PHE C C 176.849 0.050 1 279 69 69 PHE CA C 62.051 0.050 1 280 69 69 PHE CB C 38.780 0.050 1 281 69 69 PHE N N 121.637 0.050 1 282 70 70 LYS H H 7.647 0.005 1 283 70 70 LYS C C 179.928 0.050 1 284 70 70 LYS CA C 59.224 0.050 1 285 70 70 LYS CB C 31.662 0.050 1 286 70 70 LYS N N 116.466 0.050 1 287 71 71 GLU H H 7.740 0.005 1 288 71 71 GLU C C 179.176 0.050 1 289 71 71 GLU CA C 58.658 0.050 1 290 71 71 GLU CB C 28.284 0.050 1 291 71 71 GLU N N 121.020 0.050 1 292 72 72 LEU H H 8.477 0.005 1 293 72 72 LEU C C 178.300 0.050 1 294 72 72 LEU CA C 57.480 0.050 1 295 72 72 LEU CB C 41.560 0.050 1 296 72 72 LEU N N 121.889 0.050 1 297 73 73 ALA H H 7.996 0.005 1 298 73 73 ALA C C 180.260 0.050 1 299 73 73 ALA CA C 55.090 0.050 1 300 73 73 ALA CB C 16.239 0.050 1 301 73 73 ALA N N 121.109 0.050 1 302 74 74 LYS H H 7.665 0.005 1 303 74 74 LYS C C 178.636 0.050 1 304 74 74 LYS CA C 59.162 0.050 1 305 74 74 LYS CB C 31.169 0.050 1 306 74 74 LYS N N 120.115 0.050 1 307 75 75 ARG H H 8.279 0.005 1 308 75 75 ARG C C 179.147 0.050 1 309 75 75 ARG CA C 58.840 0.050 1 310 75 75 ARG CB C 28.872 0.050 1 311 75 75 ARG N N 121.227 0.050 1 312 76 76 LYS H H 7.885 0.005 1 313 76 76 LYS C C 178.825 0.050 1 314 76 76 LYS CA C 60.371 0.050 1 315 76 76 LYS CB C 28.746 0.050 1 316 76 76 LYS N N 119.453 0.050 1 317 77 77 ASN H H 7.502 0.005 1 318 77 77 ASN C C 176.556 0.050 1 319 77 77 ASN CA C 56.525 0.050 1 320 77 77 ASN CB C 37.888 0.050 1 321 77 77 ASN N N 118.860 0.050 1 322 78 78 ASP H H 8.680 0.005 1 323 78 78 ASP C C 179.428 0.050 1 324 78 78 ASP CA C 56.992 0.050 1 325 78 78 ASP CB C 39.144 0.050 1 326 78 78 ASP N N 121.036 0.050 1 327 79 79 ASN H H 8.360 0.005 1 328 79 79 ASN C C 176.754 0.050 1 329 79 79 ASN CA C 55.014 0.050 1 330 79 79 ASN CB C 37.181 0.050 1 331 79 79 ASN N N 119.518 0.050 1 332 80 80 TYR H H 8.292 0.005 1 333 80 80 TYR C C 175.694 0.050 1 334 80 80 TYR CA C 62.041 0.050 1 335 80 80 TYR CB C 37.889 0.050 1 336 80 80 TYR N N 122.587 0.050 1 337 81 81 VAL H H 8.288 0.005 1 338 81 81 VAL C C 177.808 0.050 1 339 81 81 VAL CA C 65.828 0.050 1 340 81 81 VAL CB C 30.557 0.050 1 341 81 81 VAL N N 118.069 0.050 1 342 82 82 LYS H H 7.281 0.005 1 343 82 82 LYS C C 179.905 0.050 1 344 82 82 LYS CA C 58.605 0.050 1 345 82 82 LYS CB C 31.222 0.050 1 346 82 82 LYS N N 118.869 0.050 1 347 83 83 MET H H 8.145 0.005 1 348 83 83 MET C C 179.352 0.050 1 349 83 83 MET CA C 58.156 0.050 1 350 83 83 MET CB C 31.595 0.050 1 351 83 83 MET N N 119.457 0.050 1 352 84 84 ILE H H 7.778 0.005 1 353 84 84 ILE C C 176.408 0.050 1 354 84 84 ILE CA C 63.419 0.050 1 355 84 84 ILE CB C 35.653 0.050 1 356 84 84 ILE N N 111.188 0.050 1 357 85 85 GLN H H 7.078 0.005 1 358 85 85 GLN C C 176.367 0.050 1 359 85 85 GLN CA C 57.731 0.050 1 360 85 85 GLN CB C 27.406 0.050 1 361 85 85 GLN N N 118.864 0.050 1 362 86 86 ASP H H 7.296 0.005 1 363 86 86 ASP C C 177.037 0.050 1 364 86 86 ASP CA C 54.227 0.050 1 365 86 86 ASP CB C 40.847 0.050 1 366 86 86 ASP N N 114.401 0.050 1 367 87 87 VAL H H 7.106 0.005 1 368 87 87 VAL C C 173.885 0.050 1 369 87 87 VAL CA C 63.678 0.050 1 370 87 87 VAL CB C 30.012 0.050 1 371 87 87 VAL N N 124.420 0.050 1 372 88 88 SER H H 9.183 0.005 1 373 88 88 SER CA C 57.232 0.050 1 374 88 88 SER CB C 65.409 0.050 1 375 88 88 SER N N 125.256 0.050 1 376 89 89 PRO C C 177.777 0.050 1 377 89 89 PRO CA C 64.951 0.050 1 378 89 89 PRO CB C 30.695 0.050 1 379 90 90 ALA H H 7.781 0.005 1 380 90 90 ALA C C 178.077 0.050 1 381 90 90 ALA CA C 53.303 0.050 1 382 90 90 ALA CB C 17.561 0.050 1 383 90 90 ALA N N 119.811 0.050 1 384 91 91 ASP H H 8.126 0.005 1 385 91 91 ASP C C 177.128 0.050 1 386 91 91 ASP CA C 55.331 0.050 1 387 91 91 ASP CB C 40.952 0.050 1 388 91 91 ASP N N 115.576 0.050 1 389 92 92 VAL H H 7.211 0.005 1 390 92 92 VAL C C 176.870 0.050 1 391 92 92 VAL CA C 63.640 0.050 1 392 92 92 VAL CB C 31.024 0.050 1 393 92 92 VAL N N 123.541 0.050 1 394 93 93 TYR H H 9.003 0.005 1 395 93 93 TYR C C 175.307 0.050 1 396 93 93 TYR CA C 54.447 0.050 1 397 93 93 TYR CB C 34.645 0.050 1 398 93 93 TYR N N 130.892 0.050 1 399 94 94 PRO C C 177.355 0.050 1 400 94 94 PRO CA C 63.280 0.050 1 401 94 94 PRO CB C 31.325 0.050 1 402 95 95 GLY H H 8.476 0.005 1 403 95 95 GLY C C 175.973 0.050 1 404 95 95 GLY CA C 45.830 0.050 1 405 95 95 GLY N N 111.397 0.050 1 406 96 96 ILE H H 7.128 0.005 1 407 96 96 ILE C C 176.919 0.050 1 408 96 96 ILE CA C 61.196 0.050 1 409 96 96 ILE CB C 33.770 0.050 1 410 96 96 ILE N N 121.482 0.050 1 411 97 97 LEU H H 8.857 0.005 1 412 97 97 LEU C C 177.935 0.050 1 413 97 97 LEU CA C 58.272 0.050 1 414 97 97 LEU CB C 40.248 0.050 1 415 97 97 LEU N N 121.208 0.050 1 416 98 98 GLN H H 8.711 0.005 1 417 98 98 GLN C C 177.437 0.050 1 418 98 98 GLN CA C 57.607 0.050 1 419 98 98 GLN CB C 27.463 0.050 1 420 98 98 GLN N N 117.654 0.050 1 421 99 99 LEU H H 7.828 0.005 1 422 99 99 LEU C C 178.518 0.050 1 423 99 99 LEU CA C 57.836 0.050 1 424 99 99 LEU CB C 39.831 0.050 1 425 99 99 LEU N N 119.564 0.050 1 426 100 100 LEU H H 8.343 0.005 1 427 100 100 LEU C C 179.020 0.050 1 428 100 100 LEU CA C 57.891 0.050 1 429 100 100 LEU CB C 39.401 0.050 1 430 100 100 LEU N N 119.078 0.050 1 431 101 101 LYS H H 7.946 0.005 1 432 101 101 LYS C C 180.301 0.050 1 433 101 101 LYS CA C 60.006 0.050 1 434 101 101 LYS CB C 31.930 0.050 1 435 101 101 LYS N N 117.730 0.050 1 436 102 102 ASP H H 8.741 0.005 1 437 102 102 ASP C C 179.793 0.050 1 438 102 102 ASP CA C 57.100 0.050 1 439 102 102 ASP CB C 39.496 0.050 1 440 102 102 ASP N N 122.513 0.050 1 441 103 103 LEU H H 9.393 0.005 1 442 103 103 LEU C C 179.059 0.050 1 443 103 103 LEU CA C 58.249 0.050 1 444 103 103 LEU CB C 39.906 0.050 1 445 103 103 LEU N N 123.648 0.050 1 446 104 104 ARG H H 8.358 0.005 1 447 104 104 ARG C C 181.873 0.050 1 448 104 104 ARG CA C 59.105 0.050 1 449 104 104 ARG CB C 28.490 0.050 1 450 104 104 ARG N N 120.081 0.050 1 451 105 105 SER H H 8.712 0.005 1 452 105 105 SER C C 175.178 0.050 1 453 105 105 SER CA C 61.194 0.050 1 454 105 105 SER CB C 62.273 0.050 1 455 105 105 SER N N 117.198 0.050 1 456 106 106 ASN H H 7.450 0.005 1 457 106 106 ASN C C 172.417 0.050 1 458 106 106 ASN CA C 53.628 0.050 1 459 106 106 ASN CB C 39.438 0.050 1 460 106 106 ASN N N 118.213 0.050 1 461 107 107 LYS H H 7.930 0.005 1 462 107 107 LYS C C 175.116 0.050 1 463 107 107 LYS CA C 56.880 0.050 1 464 107 107 LYS CB C 27.331 0.050 1 465 107 107 LYS N N 114.763 0.050 1 466 108 108 ILE H H 8.006 0.005 1 467 108 108 ILE C C 175.777 0.050 1 468 108 108 ILE CA C 59.970 0.050 1 469 108 108 ILE CB C 36.944 0.050 1 470 108 108 ILE N N 122.363 0.050 1 471 109 109 LYS H H 7.723 0.005 1 472 109 109 LYS C C 175.846 0.050 1 473 109 109 LYS CA C 54.889 0.050 1 474 109 109 LYS CB C 32.583 0.050 1 475 109 109 LYS N N 125.008 0.050 1 476 110 110 ILE H H 9.307 0.005 1 477 110 110 ILE C C 175.871 0.050 1 478 110 110 ILE CA C 60.974 0.050 1 479 110 110 ILE CB C 40.150 0.050 1 480 110 110 ILE N N 122.049 0.050 1 481 111 111 ALA H H 8.835 0.005 1 482 111 111 ALA C C 176.157 0.050 1 483 111 111 ALA CA C 49.176 0.050 1 484 111 111 ALA CB C 23.084 0.050 1 485 111 111 ALA N N 127.803 0.050 1 486 112 112 LEU H H 8.557 0.005 1 487 112 112 LEU C C 174.107 0.050 1 488 112 112 LEU CA C 53.955 0.050 1 489 112 112 LEU CB C 42.261 0.050 1 490 112 112 LEU N N 123.843 0.050 1 491 113 113 ALA H H 9.232 0.005 1 492 113 113 ALA C C 173.089 0.050 1 493 113 113 ALA CA C 49.625 0.050 1 494 113 113 ALA N N 134.378 0.050 1 495 114 114 SER H H 7.114 0.005 1 496 114 114 SER CA C 55.820 0.050 1 497 114 114 SER N N 110.502 0.050 1 498 115 115 ALA H H 8.969 0.005 1 499 115 115 ALA C C 176.997 0.050 1 500 115 115 ALA CA C 51.247 0.050 1 501 115 115 ALA N N 129.893 0.050 1 502 116 116 SER H H 8.247 0.005 1 503 116 116 SER CA C 57.766 0.050 1 504 116 116 SER N N 113.528 0.050 1 505 118 118 ASN C C 174.767 0.050 1 506 118 118 ASN CA C 53.002 0.050 1 507 118 118 ASN CB C 38.638 0.050 1 508 119 119 GLY H H 7.477 0.005 1 509 119 119 GLY C C 172.131 0.050 1 510 119 119 GLY CA C 48.198 0.050 1 511 119 119 GLY N N 106.243 0.050 1 512 120 120 PRO C C 179.217 0.050 1 513 120 120 PRO CA C 65.659 0.050 1 514 120 120 PRO CB C 30.433 0.050 1 515 121 121 PHE H H 7.708 0.005 1 516 121 121 PHE C C 177.343 0.050 1 517 121 121 PHE CA C 60.406 0.050 1 518 121 121 PHE CB C 38.617 0.050 1 519 121 121 PHE N N 119.298 0.050 1 520 122 122 LEU H H 8.214 0.005 1 521 122 122 LEU C C 178.761 0.050 1 522 122 122 LEU CA C 57.743 0.050 1 523 122 122 LEU CB C 40.503 0.050 1 524 122 122 LEU N N 119.892 0.050 1 525 123 123 LEU H H 8.294 0.005 1 526 123 123 LEU C C 178.938 0.050 1 527 123 123 LEU CA C 58.138 0.050 1 528 123 123 LEU CB C 40.093 0.050 1 529 123 123 LEU N N 117.313 0.050 1 530 124 124 GLU H H 7.577 0.005 1 531 124 124 GLU C C 180.870 0.050 1 532 124 124 GLU CA C 58.736 0.050 1 533 124 124 GLU CB C 27.905 0.050 1 534 124 124 GLU N N 121.014 0.050 1 535 125 125 ARG H H 8.066 0.005 1 536 125 125 ARG C C 178.425 0.050 1 537 125 125 ARG CA C 56.729 0.050 1 538 125 125 ARG CB C 28.205 0.050 1 539 125 125 ARG N N 120.958 0.050 1 540 126 126 MET H H 7.322 0.005 1 541 126 126 MET C C 173.638 0.050 1 542 126 126 MET CA C 55.989 0.050 1 543 126 126 MET CB C 32.513 0.050 1 544 126 126 MET N N 113.323 0.050 1 545 127 127 ASN H H 8.012 0.005 1 546 127 127 ASN C C 175.847 0.050 1 547 127 127 ASN CA C 53.438 0.050 1 548 127 127 ASN CB C 36.480 0.050 1 549 127 127 ASN N N 116.870 0.050 1 550 128 128 LEU H H 8.701 0.005 1 551 128 128 LEU C C 177.846 0.050 1 552 128 128 LEU CA C 53.671 0.050 1 553 128 128 LEU CB C 44.166 0.050 1 554 128 128 LEU N N 114.016 0.050 1 555 129 129 THR H H 7.385 0.005 1 556 129 129 THR C C 176.317 0.050 1 557 129 129 THR CA C 67.097 0.050 1 558 129 129 THR CB C 68.553 0.050 1 559 129 129 THR N N 115.625 0.050 1 560 130 130 GLY H H 8.595 0.005 1 561 130 130 GLY C C 174.879 0.050 1 562 130 130 GLY CA C 45.637 0.050 1 563 130 130 GLY N N 106.106 0.050 1 564 131 131 TYR H H 7.775 0.005 1 565 131 131 TYR C C 174.561 0.050 1 566 131 131 TYR CA C 59.574 0.050 1 567 131 131 TYR CB C 38.727 0.050 1 568 131 131 TYR N N 116.094 0.050 1 569 132 132 PHE H H 7.378 0.005 1 570 132 132 PHE C C 175.810 0.050 1 571 132 132 PHE CA C 58.312 0.050 1 572 132 132 PHE CB C 39.145 0.050 1 573 132 132 PHE N N 115.269 0.050 1 574 133 133 ASP H H 9.222 0.005 1 575 133 133 ASP C C 176.276 0.050 1 576 133 133 ASP CA C 56.439 0.050 1 577 133 133 ASP CB C 42.378 0.050 1 578 133 133 ASP N N 124.301 0.050 1 579 134 134 ALA H H 7.639 0.005 1 580 134 134 ALA C C 175.451 0.050 1 581 134 134 ALA CA C 51.854 0.050 1 582 134 134 ALA CB C 22.919 0.050 1 583 134 134 ALA N N 116.379 0.050 1 584 135 135 ILE H H 8.606 0.005 1 585 135 135 ILE C C 175.372 0.050 1 586 135 135 ILE CA C 60.429 0.050 1 587 135 135 ILE CB C 39.755 0.050 1 588 135 135 ILE N N 122.158 0.050 1 589 136 136 ALA H H 8.244 0.005 1 590 136 136 ALA C C 176.317 0.050 1 591 136 136 ALA CA C 52.267 0.050 1 592 136 136 ALA CB C 18.416 0.050 1 593 136 136 ALA N N 130.027 0.050 1 594 137 137 ASP H H 8.445 0.005 1 595 137 137 ASP C C 175.176 0.050 1 596 137 137 ASP CA C 51.344 0.050 1 597 137 137 ASP CB C 40.757 0.050 1 598 137 137 ASP N N 122.393 0.050 1 599 138 138 PRO C C 176.979 0.050 1 600 138 138 PRO CA C 62.852 0.050 1 601 138 138 PRO CB C 31.234 0.050 1 602 139 139 ALA H H 8.307 0.005 1 603 139 139 ALA C C 178.468 0.050 1 604 139 139 ALA CA C 52.636 0.050 1 605 139 139 ALA CB C 18.357 0.050 1 606 139 139 ALA N N 123.219 0.050 1 607 140 140 GLU H H 8.190 0.005 1 608 140 140 GLU C C 177.014 0.050 1 609 140 140 GLU CA C 56.681 0.050 1 610 140 140 GLU CB C 29.101 0.050 1 611 140 140 GLU N N 119.196 0.050 1 612 141 141 VAL H H 7.730 0.005 1 613 141 141 VAL C C 175.786 0.050 1 614 141 141 VAL CA C 61.631 0.050 1 615 141 141 VAL CB C 31.695 0.050 1 616 141 141 VAL N N 118.392 0.050 1 617 142 142 ALA H H 8.206 0.005 1 618 142 142 ALA C C 177.501 0.050 1 619 142 142 ALA CA C 52.251 0.050 1 620 142 142 ALA CB C 18.246 0.050 1 621 142 142 ALA N N 126.781 0.050 1 622 143 143 ALA H H 8.109 0.005 1 623 143 143 ALA C C 176.530 0.050 1 624 143 143 ALA CA C 50.868 0.050 1 625 143 143 ALA CB C 20.455 0.050 1 626 143 143 ALA N N 122.567 0.050 1 627 144 144 SER H H 8.221 0.005 1 628 144 144 SER C C 175.388 0.050 1 629 144 144 SER CA C 57.056 0.050 1 630 144 144 SER N N 113.948 0.050 1 631 150 150 ILE C C 175.774 0.050 1 632 150 150 ILE CA C 62.374 0.050 1 633 151 151 PHE H H 7.283 0.005 1 634 151 151 PHE C C 177.770 0.050 1 635 151 151 PHE CA C 63.145 0.050 1 636 151 151 PHE CB C 38.087 0.050 1 637 151 151 PHE N N 121.036 0.050 1 638 152 152 ILE H H 7.746 0.005 1 639 152 152 ILE C C 178.014 0.050 1 640 152 152 ILE CA C 65.706 0.050 1 641 152 152 ILE CB C 37.685 0.050 1 642 152 152 ILE N N 120.841 0.050 1 643 153 153 ALA H H 8.505 0.005 1 644 153 153 ALA C C 181.065 0.050 1 645 153 153 ALA CA C 54.368 0.050 1 646 153 153 ALA CB C 17.457 0.050 1 647 153 153 ALA N N 120.315 0.050 1 648 154 154 ALA H H 7.823 0.005 1 649 154 154 ALA C C 177.033 0.050 1 650 154 154 ALA CA C 54.769 0.050 1 651 154 154 ALA CB C 18.207 0.050 1 652 154 154 ALA N N 122.538 0.050 1 653 155 155 ALA H H 7.606 0.005 1 654 155 155 ALA C C 179.823 0.050 1 655 155 155 ALA CA C 54.251 0.050 1 656 155 155 ALA CB C 15.948 0.050 1 657 155 155 ALA N N 118.888 0.050 1 658 156 156 HIS H H 8.470 0.005 1 659 156 156 HIS C C 179.738 0.050 1 660 156 156 HIS CA C 58.166 0.050 1 661 156 156 HIS CB C 28.916 0.050 1 662 156 156 HIS N N 116.676 0.050 1 663 157 157 ALA H H 8.339 0.005 1 664 157 157 ALA C C 179.439 0.050 1 665 157 157 ALA CA C 54.179 0.050 1 666 157 157 ALA CB C 17.578 0.050 1 667 157 157 ALA N N 122.368 0.050 1 668 158 158 VAL H H 7.293 0.005 1 669 158 158 VAL C C 175.543 0.050 1 670 158 158 VAL CA C 59.502 0.050 1 671 158 158 VAL CB C 30.343 0.050 1 672 158 158 VAL N N 107.767 0.050 1 673 159 159 GLY H H 7.822 0.005 1 674 159 159 GLY C C 174.663 0.050 1 675 159 159 GLY CA C 46.058 0.050 1 676 159 159 GLY N N 110.132 0.050 1 677 160 160 VAL H H 7.771 0.005 1 678 160 160 VAL C C 174.114 0.050 1 679 160 160 VAL CA C 58.852 0.050 1 680 160 160 VAL CB C 33.840 0.050 1 681 160 160 VAL N N 116.880 0.050 1 682 161 161 ALA H H 8.675 0.005 1 683 161 161 ALA C C 178.772 0.050 1 684 161 161 ALA CA C 49.513 0.050 1 685 161 161 ALA CB C 17.265 0.050 1 686 161 161 ALA N N 125.264 0.050 1 687 162 162 PRO C C 177.503 0.050 1 688 162 162 PRO CA C 65.815 0.050 1 689 162 162 PRO CB C 30.830 0.050 1 690 163 163 SER H H 7.725 0.005 1 691 163 163 SER C C 176.013 0.050 1 692 163 163 SER CA C 59.825 0.050 1 693 163 163 SER CB C 61.892 0.050 1 694 163 163 SER N N 106.718 0.050 1 695 164 164 GLU H H 7.842 0.005 1 696 164 164 GLU C C 174.788 0.050 1 697 164 164 GLU CA C 55.550 0.050 1 698 164 164 GLU CB C 29.110 0.050 1 699 164 164 GLU N N 121.695 0.050 1 700 165 165 SER H H 8.036 0.005 1 701 165 165 SER C C 172.115 0.050 1 702 165 165 SER CA C 57.496 0.050 1 703 165 165 SER CB C 65.271 0.050 1 704 165 165 SER N N 114.858 0.050 1 705 166 166 ILE H H 7.743 0.005 1 706 166 166 ILE C C 175.354 0.050 1 707 166 166 ILE CA C 58.938 0.050 1 708 166 166 ILE CB C 40.522 0.050 1 709 166 166 ILE N N 121.818 0.050 1 710 167 167 GLY H H 8.724 0.005 1 711 167 167 GLY C C 170.417 0.050 1 712 167 167 GLY CA C 43.327 0.050 1 713 167 167 GLY N N 112.398 0.050 1 714 168 168 LEU H H 7.957 0.005 1 715 168 168 LEU C C 175.319 0.050 1 716 168 168 LEU CA C 53.524 0.050 1 717 168 168 LEU CB C 41.052 0.050 1 718 168 168 LEU N N 123.418 0.050 1 719 169 169 GLU H H 6.875 0.005 1 720 169 169 GLU C C 174.213 0.050 1 721 169 169 GLU CA C 56.449 0.050 1 722 169 169 GLU N N 123.563 0.050 1 723 171 171 SER C C 173.971 0.050 1 724 171 171 SER CA C 56.024 0.050 1 725 172 172 GLN H H 9.239 0.005 1 726 172 172 GLN C C 178.501 0.050 1 727 172 172 GLN CA C 59.789 0.050 1 728 172 172 GLN CB C 27.137 0.050 1 729 172 172 GLN N N 126.011 0.050 1 730 173 173 ALA H H 8.937 0.005 1 731 173 173 ALA C C 181.181 0.050 1 732 173 173 ALA CA C 54.333 0.050 1 733 173 173 ALA CB C 17.253 0.050 1 734 173 173 ALA N N 120.801 0.050 1 735 174 174 GLY H H 8.015 0.005 1 736 174 174 GLY CA C 46.011 0.050 1 737 174 174 GLY N N 108.707 0.050 1 738 175 175 ILE H H 8.166 0.005 1 739 175 175 ILE C C 177.668 0.050 1 740 175 175 ILE CA C 62.436 0.050 1 741 175 175 ILE N N 122.823 0.050 1 742 176 176 GLN C C 177.059 0.050 1 743 176 176 GLN CB C 27.200 0.050 1 744 177 177 ALA H H 7.658 0.005 1 745 177 177 ALA C C 180.868 0.050 1 746 177 177 ALA CA C 55.989 0.050 1 747 177 177 ALA CB C 23.004 0.050 1 748 177 177 ALA N N 122.202 0.050 1 749 178 178 ILE H H 8.014 0.005 1 750 178 178 ILE C C 179.974 0.050 1 751 178 178 ILE CA C 62.758 0.050 1 752 178 178 ILE CB C 36.471 0.050 1 753 178 178 ILE N N 119.100 0.050 1 754 179 179 LYS H H 8.376 0.005 1 755 179 179 LYS C C 180.974 0.050 1 756 179 179 LYS CA C 59.629 0.050 1 757 179 179 LYS CB C 31.667 0.050 1 758 179 179 LYS N N 121.307 0.050 1 759 180 180 ASP H H 8.780 0.005 1 760 180 180 ASP C C 178.069 0.050 1 761 180 180 ASP CA C 56.667 0.050 1 762 180 180 ASP CB C 39.691 0.050 1 763 180 180 ASP N N 120.493 0.050 1 764 181 181 SER H H 8.000 0.005 1 765 181 181 SER C C 173.713 0.050 1 766 181 181 SER CA C 60.520 0.050 1 767 181 181 SER CB C 64.566 0.050 1 768 181 181 SER N N 116.405 0.050 1 769 182 182 GLY H H 7.407 0.005 1 770 182 182 GLY C C 173.478 0.050 1 771 182 182 GLY CA C 44.059 0.050 1 772 182 182 GLY N N 108.655 0.050 1 773 183 183 ALA H H 7.099 0.005 1 774 183 183 ALA C C 174.966 0.050 1 775 183 183 ALA CA C 50.764 0.050 1 776 183 183 ALA CB C 19.550 0.050 1 777 183 183 ALA N N 124.184 0.050 1 778 184 184 LEU H H 8.168 0.005 1 779 184 184 LEU C C 174.926 0.050 1 780 184 184 LEU CA C 51.725 0.050 1 781 184 184 LEU CB C 43.241 0.050 1 782 184 184 LEU N N 122.675 0.050 1 783 185 185 PRO C C 176.507 0.050 1 784 185 185 PRO CA C 61.302 0.050 1 785 185 185 PRO CB C 31.802 0.050 1 786 186 186 ILE H H 8.265 0.005 1 787 186 186 ILE C C 178.507 0.050 1 788 186 186 ILE CA C 61.569 0.050 1 789 186 186 ILE CB C 38.137 0.050 1 790 186 186 ILE N N 119.230 0.050 1 791 187 187 GLY H H 8.915 0.005 1 792 187 187 GLY C C 171.127 0.050 1 793 187 187 GLY CA C 45.003 0.050 1 794 187 187 GLY N N 115.624 0.050 1 795 188 188 VAL H H 7.775 0.005 1 796 188 188 VAL C C 174.014 0.050 1 797 188 188 VAL CA C 57.175 0.050 1 798 188 188 VAL CB C 32.033 0.050 1 799 188 188 VAL N N 118.265 0.050 1 800 189 189 GLY H H 8.390 0.005 1 801 189 189 GLY C C 171.105 0.050 1 802 189 189 GLY CA C 44.185 0.050 1 803 189 189 GLY N N 113.611 0.050 1 804 190 190 ARG H H 8.630 0.005 1 805 190 190 ARG C C 175.985 0.050 1 806 190 190 ARG CA C 52.605 0.050 1 807 190 190 ARG CB C 29.939 0.050 1 808 190 190 ARG N N 120.569 0.050 1 809 191 191 PRO C C 178.801 0.050 1 810 191 191 PRO CA C 64.625 0.050 1 811 191 191 PRO CB C 30.790 0.050 1 812 192 192 GLU H H 9.663 0.005 1 813 192 192 GLU C C 176.849 0.050 1 814 192 192 GLU CA C 59.271 0.050 1 815 192 192 GLU CB C 27.573 0.050 1 816 192 192 GLU N N 118.504 0.050 1 817 193 193 ASP H H 7.217 0.005 1 818 193 193 ASP C C 176.820 0.050 1 819 193 193 ASP CA C 54.915 0.050 1 820 193 193 ASP CB C 41.776 0.050 1 821 193 193 ASP N N 115.642 0.050 1 822 194 194 LEU H H 7.584 0.005 1 823 194 194 LEU C C 176.171 0.050 1 824 194 194 LEU CA C 55.776 0.050 1 825 194 194 LEU CB C 42.797 0.050 1 826 194 194 LEU N N 117.610 0.050 1 827 195 195 GLY H H 8.024 0.005 1 828 195 195 GLY C C 172.752 0.050 1 829 195 195 GLY CA C 43.678 0.050 1 830 195 195 GLY N N 107.143 0.050 1 831 196 196 ASP H H 7.971 0.005 1 832 196 196 ASP C C 176.940 0.050 1 833 196 196 ASP CA C 53.797 0.050 1 834 196 196 ASP CB C 41.181 0.050 1 835 196 196 ASP N N 116.851 0.050 1 836 197 197 ASP H H 8.804 0.005 1 837 197 197 ASP C C 175.281 0.050 1 838 197 197 ASP CA C 53.619 0.050 1 839 197 197 ASP CB C 39.529 0.050 1 840 197 197 ASP N N 117.400 0.050 1 841 198 198 ILE H H 6.964 0.005 1 842 198 198 ILE C C 175.358 0.050 1 843 198 198 ILE CA C 58.131 0.050 1 844 198 198 ILE CB C 40.169 0.050 1 845 198 198 ILE N N 115.075 0.050 1 846 199 199 VAL H H 9.027 0.005 1 847 199 199 VAL C C 174.323 0.050 1 848 199 199 VAL CA C 63.758 0.050 1 849 199 199 VAL CB C 30.245 0.050 1 850 199 199 VAL N N 126.328 0.050 1 851 200 200 ILE H H 7.984 0.005 1 852 200 200 ILE C C 176.132 0.050 1 853 200 200 ILE CA C 58.197 0.050 1 854 200 200 ILE CB C 41.139 0.050 1 855 200 200 ILE N N 125.490 0.050 1 856 201 201 VAL H H 8.726 0.005 1 857 201 201 VAL C C 174.440 0.050 1 858 201 201 VAL CA C 56.330 0.050 1 859 201 201 VAL CB C 31.654 0.050 1 860 201 201 VAL N N 119.450 0.050 1 861 202 202 PRO C C 177.243 0.050 1 862 202 202 PRO CA C 63.979 0.050 1 863 202 202 PRO CB C 31.050 0.050 1 864 203 203 ASP H H 6.838 0.005 1 865 203 203 ASP C C 175.796 0.050 1 866 203 203 ASP CA C 53.086 0.050 1 867 203 203 ASP CB C 41.499 0.050 1 868 203 203 ASP N N 109.886 0.050 1 869 204 204 THR H H 8.222 0.005 1 870 204 204 THR C C 176.525 0.050 1 871 204 204 THR CA C 65.328 0.050 1 872 204 204 THR CB C 68.828 0.050 1 873 204 204 THR N N 109.141 0.050 1 874 205 205 SER H H 8.853 0.005 1 875 205 205 SER C C 175.629 0.050 1 876 205 205 SER CA C 61.282 0.050 1 877 205 205 SER CB C 61.989 0.050 1 878 205 205 SER N N 119.284 0.050 1 879 206 206 HIS H H 7.244 0.005 1 880 206 206 HIS C C 176.728 0.050 1 881 206 206 HIS CA C 56.758 0.050 1 882 206 206 HIS CB C 30.149 0.050 1 883 206 206 HIS N N 118.121 0.050 1 884 207 207 TYR H H 7.801 0.005 1 885 207 207 TYR C C 173.544 0.050 1 886 207 207 TYR CA C 54.306 0.050 1 887 207 207 TYR CB C 35.355 0.050 1 888 207 207 TYR N N 120.057 0.050 1 889 208 208 THR H H 7.345 0.005 1 890 208 208 THR C C 174.709 0.050 1 891 208 208 THR CA C 57.925 0.050 1 892 208 208 THR CB C 71.132 0.050 1 893 208 208 THR N N 114.317 0.050 1 894 209 209 LEU H H 9.505 0.005 1 895 209 209 LEU C C 177.846 0.050 1 896 209 209 LEU CA C 58.291 0.050 1 897 209 209 LEU CB C 39.763 0.050 1 898 209 209 LEU N N 124.989 0.050 1 899 210 210 GLU H H 8.606 0.005 1 900 210 210 GLU C C 178.839 0.050 1 901 210 210 GLU CA C 59.511 0.050 1 902 210 210 GLU CB C 28.424 0.050 1 903 210 210 GLU N N 116.644 0.050 1 904 211 211 PHE H H 8.187 0.005 1 905 211 211 PHE C C 176.794 0.050 1 906 211 211 PHE CA C 60.919 0.050 1 907 211 211 PHE CB C 39.380 0.050 1 908 211 211 PHE N N 122.077 0.050 1 909 212 212 LEU H H 8.391 0.005 1 910 212 212 LEU C C 179.075 0.050 1 911 212 212 LEU CA C 58.978 0.050 1 912 212 212 LEU CB C 39.875 0.050 1 913 212 212 LEU N N 119.595 0.050 1 914 213 213 LYS H H 8.436 0.005 1 915 213 213 LYS C C 178.114 0.050 1 916 213 213 LYS CA C 60.562 0.050 1 917 213 213 LYS CB C 31.949 0.050 1 918 213 213 LYS N N 116.133 0.050 1 919 214 214 GLU H H 7.792 0.005 1 920 214 214 GLU C C 179.635 0.050 1 921 214 214 GLU CA C 59.127 0.050 1 922 214 214 GLU CB C 28.561 0.050 1 923 214 214 GLU N N 120.287 0.050 1 924 215 215 VAL H H 8.236 0.005 1 925 215 215 VAL C C 178.437 0.050 1 926 215 215 VAL CA C 65.775 0.050 1 927 215 215 VAL CB C 30.602 0.050 1 928 215 215 VAL N N 120.146 0.050 1 929 216 216 TRP H H 8.469 0.005 1 930 216 216 TRP C C 178.656 0.050 1 931 216 216 TRP CA C 60.593 0.050 1 932 216 216 TRP CB C 28.941 0.050 1 933 216 216 TRP N N 120.615 0.050 1 934 217 217 LEU H H 8.227 0.005 1 935 217 217 LEU C C 179.911 0.050 1 936 217 217 LEU CA C 57.088 0.050 1 937 217 217 LEU CB C 40.931 0.050 1 938 217 217 LEU N N 116.949 0.050 1 939 218 218 GLN H H 7.848 0.005 1 940 218 218 GLN C C 177.749 0.050 1 941 218 218 GLN CA C 57.250 0.050 1 942 218 218 GLN CB C 27.828 0.050 1 943 218 218 GLN N N 118.108 0.050 1 944 219 219 LYS H H 7.567 0.005 1 945 219 219 LYS C C 176.651 0.050 1 946 219 219 LYS CA C 55.355 0.050 1 947 219 219 LYS CB C 31.243 0.050 1 948 219 219 LYS N N 117.817 0.050 1 949 220 220 GLN H H 7.656 0.005 1 950 220 220 GLN C C 175.105 0.050 1 951 220 220 GLN CA C 55.136 0.050 1 952 220 220 GLN CB C 27.648 0.050 1 953 220 220 GLN N N 119.793 0.050 1 954 221 221 LYS H H 7.573 0.005 1 955 221 221 LYS C C 181.504 0.050 1 956 221 221 LYS CA C 57.274 0.050 1 957 221 221 LYS CB C 32.299 0.050 1 958 221 221 LYS N N 127.355 0.050 1 stop_ save_