data_50369 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Human AK3 apo-form ; _BMRB_accession_number 50369 _BMRB_flat_file_name bmr50369.str _Entry_type original _Submission_date 2020-06-29 _Accession_date 2020-06-29 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Bckbone assignments of Human AK3' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rogne Per . . 2 Goodman Jack . . 3 Wolf-Watz Magnus . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 191 "13C chemical shifts" 545 "15N chemical shifts" 191 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-08-25 original BMRB . stop_ _Original_release_date 2020-06-29 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis for GTP versus ATP selectivity in the NMP kinase AK3 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32822537 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rogne Per . . 2 Dulko-Smith Beata . . 3 Goodman Jack . . 4 Rosselin Marie . . 5 Grundstrom Christin . . 6 Hedberg Christian . . 7 Nam Kwangho . . 8 Sauer-Eriksson Elisabeth . . 9 Wolf-Watz Magnus . . stop_ _Journal_abbreviation Biochemistry _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword 'Human AK3' 'Solution NMR' 'Substrate selectivity' 'X-ray cristallography' stop_ save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'Human AK3' _Enzyme_commission_number 2.7.4.10 loop_ _Mol_system_component_name _Mol_label AK3 $entity_1 Mg2+ $entity_MG stop_ _System_molecular_weight 25565 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'Human AK3 bound to Mg2+' save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 25565 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 227 _Mol_residue_sequence ; MGASARLLRAVIMGAPGSGK GTVSSRITTHFELKHLSSGD LLRDNMLRGTEIGVLAKAFI DQGKLIPDDVMTRLALHELK NLTQYSWLLDGFPRTLPQAE ALDRAYQIDTVINLNVPFEV IKQRLTARWIHPASGRVYNI EFNPPKTVGIDDLTGEPLIQ REDDKPETVIKRLKAYEDQT KPVLEYYQKKGVLETFSGTE TNKIWPYVYAFLQTKVPQRS QKASVTP ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 ALA 4 SER 5 ALA 6 ARG 7 LEU 8 LEU 9 ARG 10 ALA 11 VAL 12 ILE 13 MET 14 GLY 15 ALA 16 PRO 17 GLY 18 SER 19 GLY 20 LYS 21 GLY 22 THR 23 VAL 24 SER 25 SER 26 ARG 27 ILE 28 THR 29 THR 30 HIS 31 PHE 32 GLU 33 LEU 34 LYS 35 HIS 36 LEU 37 SER 38 SER 39 GLY 40 ASP 41 LEU 42 LEU 43 ARG 44 ASP 45 ASN 46 MET 47 LEU 48 ARG 49 GLY 50 THR 51 GLU 52 ILE 53 GLY 54 VAL 55 LEU 56 ALA 57 LYS 58 ALA 59 PHE 60 ILE 61 ASP 62 GLN 63 GLY 64 LYS 65 LEU 66 ILE 67 PRO 68 ASP 69 ASP 70 VAL 71 MET 72 THR 73 ARG 74 LEU 75 ALA 76 LEU 77 HIS 78 GLU 79 LEU 80 LYS 81 ASN 82 LEU 83 THR 84 GLN 85 TYR 86 SER 87 TRP 88 LEU 89 LEU 90 ASP 91 GLY 92 PHE 93 PRO 94 ARG 95 THR 96 LEU 97 PRO 98 GLN 99 ALA 100 GLU 101 ALA 102 LEU 103 ASP 104 ARG 105 ALA 106 TYR 107 GLN 108 ILE 109 ASP 110 THR 111 VAL 112 ILE 113 ASN 114 LEU 115 ASN 116 VAL 117 PRO 118 PHE 119 GLU 120 VAL 121 ILE 122 LYS 123 GLN 124 ARG 125 LEU 126 THR 127 ALA 128 ARG 129 TRP 130 ILE 131 HIS 132 PRO 133 ALA 134 SER 135 GLY 136 ARG 137 VAL 138 TYR 139 ASN 140 ILE 141 GLU 142 PHE 143 ASN 144 PRO 145 PRO 146 LYS 147 THR 148 VAL 149 GLY 150 ILE 151 ASP 152 ASP 153 LEU 154 THR 155 GLY 156 GLU 157 PRO 158 LEU 159 ILE 160 GLN 161 ARG 162 GLU 163 ASP 164 ASP 165 LYS 166 PRO 167 GLU 168 THR 169 VAL 170 ILE 171 LYS 172 ARG 173 LEU 174 LYS 175 ALA 176 TYR 177 GLU 178 ASP 179 GLN 180 THR 181 LYS 182 PRO 183 VAL 184 LEU 185 GLU 186 TYR 187 TYR 188 GLN 189 LYS 190 LYS 191 GLY 192 VAL 193 LEU 194 GLU 195 THR 196 PHE 197 SER 198 GLY 199 THR 200 GLU 201 THR 202 ASN 203 LYS 204 ILE 205 TRP 206 PRO 207 TYR 208 VAL 209 TYR 210 ALA 211 PHE 212 LEU 213 GLN 214 THR 215 LYS 216 VAL 217 PRO 218 GLN 219 ARG 220 SER 221 GLN 222 LYS 223 ALA 224 SER 225 VAL 226 THR 227 PRO 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 "entity_MG (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_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli BL21(DE3) plasmid pET24d-AK3 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '700uM triple labeled Human AK3' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 700 uM '[U-100% 13C; U-100% 15N; U-80% 2H]' MOPS 30 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TOPSPIN _Version 3.6 loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name MddNMR _Version . loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CYANA _Version . loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name CARA _Version . loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '25oC ambient pressure pH 7' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 7 . pH pressure 1 . atm temperature 298 0 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.7 internal indirect . . . 0.25 water H 1 protons ppm 4.7 internal direct . . . 1 water N 15 protons ppm 4.7 internal indirect . . . 0.1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_4 stop_ loop_ _Experiment_label '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name AK3 _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 5 5 ALA H H 8.158 0.01 . 2 5 5 ALA C C 177.013 0.05 . 3 5 5 ALA CA C 51.779 0.05 . 4 5 5 ALA CB C 18.495 0.05 . 5 5 5 ALA N N 126.330 0.05 . 6 6 6 ARG H H 8.114 0.01 . 7 6 6 ARG C C 175.542 0.05 . 8 6 6 ARG CA C 55.219 0.05 . 9 6 6 ARG CB C 29.835 0.05 . 10 6 6 ARG N N 121.402 0.05 . 11 7 7 LEU H H 7.995 0.01 . 12 7 7 LEU C C 175.895 0.05 . 13 7 7 LEU CA C 53.484 0.05 . 14 7 7 LEU CB C 40.968 0.05 . 15 7 7 LEU N N 124.691 0.05 . 16 8 8 LEU H H 8.473 0.01 . 17 8 8 LEU C C 175.881 0.05 . 18 8 8 LEU CA C 53.954 0.05 . 19 8 8 LEU CB C 43.250 0.05 . 20 8 8 LEU N N 125.758 0.05 . 21 9 9 ARG H H 9.266 0.01 . 22 9 9 ARG C C 173.380 0.05 . 23 9 9 ARG CA C 55.219 0.05 . 24 9 9 ARG CB C 28.660 0.05 . 25 9 9 ARG N N 130.973 0.05 . 26 10 10 ALA H H 8.005 0.01 . 27 10 10 ALA C C 182.412 0.05 . 28 10 10 ALA CA C 49.074 0.05 . 29 10 10 ALA CB C 22.160 0.05 . 30 10 10 ALA N N 124.624 0.05 . 31 11 11 VAL H H 7.961 0.01 . 32 11 11 VAL C C 174.145 0.05 . 33 11 11 VAL CA C 59.834 0.05 . 34 11 11 VAL CB C 36.405 0.05 . 35 11 11 VAL N N 120.163 0.05 . 36 12 12 ILE H H 8.673 0.01 . 37 12 12 ILE C C 172.762 0.05 . 38 12 12 ILE CA C 57.482 0.05 . 39 12 12 ILE CB C 41.383 0.05 . 40 12 12 ILE N N 123.711 0.05 . 41 13 13 MET H H 9.331 0.01 . 42 13 13 MET C C 173.718 0.05 . 43 13 13 MET CA C 53.778 0.05 . 44 13 13 MET CB C 35.644 0.05 . 45 13 13 MET N N 126.942 0.05 . 46 14 14 GLY H H 7.457 0.01 . 47 14 14 GLY C C 171.394 0.05 . 48 14 14 GLY CA C 44.987 0.05 . 49 14 14 GLY N N 106.533 0.05 . 50 15 15 ALA H H 8.929 0.01 . 51 15 15 ALA C C 175.616 0.05 . 52 15 15 ALA CA C 49.838 0.05 . 53 15 15 ALA CB C 16.351 0.05 . 54 15 15 ALA N N 125.415 0.05 . 55 17 17 GLY H H 8.038 0.01 . 56 17 17 GLY C C 175.042 0.05 . 57 17 17 GLY CA C 45.193 0.05 . 58 17 17 GLY N N 108.183 0.05 . 59 18 18 SER H H 7.995 0.01 . 60 18 18 SER C C 174.395 0.05 . 61 18 18 SER CA C 59.834 0.05 . 62 18 18 SER CB C 64.687 0.05 . 63 18 18 SER N N 113.266 0.05 . 64 19 19 GLY H H 8.406 0.01 . 65 19 19 GLY CA C 44.399 0.05 . 66 19 19 GLY N N 109.612 0.05 . 67 20 20 LYS H H 7.440 0.01 . 68 20 20 LYS C C 177.102 0.05 . 69 20 20 LYS CA C 59.540 0.05 . 70 20 20 LYS CB C 30.458 0.05 . 71 20 20 LYS N N 121.211 0.05 . 72 22 22 THR H H 7.492 0.01 . 73 22 22 THR CA C 65.391 0.05 . 74 22 22 THR CB C 67.730 0.05 . 75 22 22 THR N N 120.383 0.05 . 76 23 23 VAL H H 7.921 0.01 . 77 23 23 VAL C C 177.219 0.05 . 78 23 23 VAL CA C 67.067 0.05 . 79 23 23 VAL CB C 30.181 0.05 . 80 23 23 VAL N N 121.445 0.05 . 81 24 24 SER H H 8.937 0.01 . 82 24 24 SER CA C 62.598 0.05 . 83 24 24 SER CB C 61.437 0.05 . 84 24 24 SER N N 117.062 0.05 . 85 25 25 SER H H 7.408 0.01 . 86 25 25 SER CA C 60.834 0.05 . 87 25 25 SER CB C 62.254 0.05 . 88 25 25 SER N N 116.721 0.05 . 89 26 26 ARG H H 7.680 0.01 . 90 26 26 ARG C C 179.161 0.05 . 91 26 26 ARG CA C 59.188 0.05 . 92 26 26 ARG CB C 26.654 0.05 . 93 26 26 ARG N N 122.287 0.05 . 94 27 27 ILE H H 8.620 0.01 . 95 27 27 ILE C C 177.307 0.05 . 96 27 27 ILE CA C 66.743 0.05 . 97 27 27 ILE CB C 36.405 0.05 . 98 27 27 ILE N N 120.651 0.05 . 99 28 28 THR H H 7.768 0.01 . 100 28 28 THR C C 176.101 0.05 . 101 28 28 THR CA C 64.803 0.05 . 102 28 28 THR CB C 68.144 0.05 . 103 28 28 THR N N 111.042 0.05 . 104 29 29 THR H H 7.770 0.01 . 105 29 29 THR C C 175.469 0.05 . 106 29 29 THR CA C 65.215 0.05 . 107 29 29 THR CB C 68.468 0.05 . 108 29 29 THR N N 116.713 0.05 . 109 30 30 HIS H H 7.614 0.01 . 110 30 30 HIS C C 175.719 0.05 . 111 30 30 HIS CA C 59.011 0.05 . 112 30 30 HIS CB C 31.218 0.05 . 113 30 30 HIS N N 117.045 0.05 . 114 31 31 PHE H H 8.556 0.01 . 115 31 31 PHE C C 174.130 0.05 . 116 31 31 PHE CA C 57.424 0.05 . 117 31 31 PHE CB C 40.623 0.05 . 118 31 31 PHE N N 118.605 0.05 . 119 32 32 GLU H H 8.337 0.01 . 120 32 32 GLU C C 173.557 0.05 . 121 32 32 GLU CA C 54.719 0.05 . 122 32 32 GLU CB C 27.484 0.05 . 123 32 32 GLU N N 120.998 0.05 . 124 33 33 LEU H H 7.800 0.01 . 125 33 33 LEU C C 174.939 0.05 . 126 33 33 LEU CA C 53.602 0.05 . 127 33 33 LEU CB C 43.942 0.05 . 128 33 33 LEU N N 123.167 0.05 . 129 34 34 LYS H H 8.410 0.01 . 130 34 34 LYS C C 174.483 0.05 . 131 34 34 LYS CA C 54.248 0.05 . 132 34 34 LYS CB C 32.463 0.05 . 133 34 34 LYS N N 121.702 0.05 . 134 35 35 HIS H H 8.755 0.01 . 135 35 35 HIS C C 173.998 0.05 . 136 35 35 HIS CA C 54.101 0.05 . 137 35 35 HIS CB C 31.871 0.05 . 138 35 35 HIS N N 126.871 0.05 . 139 36 36 LEU H H 8.726 0.01 . 140 36 36 LEU C C 173.895 0.05 . 141 36 36 LEU CA C 52.396 0.05 . 142 36 36 LEU CB C 42.213 0.05 . 143 36 36 LEU N N 131.961 0.05 . 144 37 37 SER H H 8.404 0.01 . 145 37 37 SER C C 176.557 0.05 . 146 37 37 SER CA C 54.836 0.05 . 147 37 37 SER CB C 64.039 0.05 . 148 37 37 SER N N 119.118 0.05 . 149 38 38 SER H H 8.562 0.01 . 150 38 38 SER CA C 61.951 0.05 . 151 38 38 SER N N 121.570 0.05 . 152 39 39 GLY H H 8.348 0.01 . 153 39 39 GLY C C 176.528 0.05 . 154 39 39 GLY CA C 46.457 0.05 . 155 39 39 GLY N N 108.545 0.05 . 156 40 40 ASP H H 7.343 0.01 . 157 40 40 ASP C C 177.852 0.05 . 158 40 40 ASP CA C 56.600 0.05 . 159 40 40 ASP CB C 39.447 0.05 . 160 40 40 ASP N N 123.400 0.05 . 161 41 41 LEU H H 7.752 0.01 . 162 41 41 LEU C C 179.632 0.05 . 163 41 41 LEU CA C 56.983 0.05 . 164 41 41 LEU CB C 40.623 0.05 . 165 41 41 LEU N N 119.592 0.05 . 166 43 43 ARG H H 7.731 0.01 . 167 43 43 ARG C C 178.661 0.05 . 168 43 43 ARG CA C 59.070 0.05 . 169 43 43 ARG CB C 29.006 0.05 . 170 43 43 ARG N N 119.563 0.05 . 171 44 44 ASP H H 8.426 0.01 . 172 44 44 ASP C C 178.411 0.05 . 173 44 44 ASP CA C 57.100 0.05 . 174 44 44 ASP CB C 40.208 0.05 . 175 44 44 ASP N N 118.915 0.05 . 176 45 45 ASN H H 7.769 0.01 . 177 45 45 ASN C C 177.587 0.05 . 178 45 45 ASN CA C 57.365 0.05 . 179 45 45 ASN CB C 38.756 0.05 . 180 45 45 ASN N N 117.130 0.05 . 181 46 46 MET H H 8.103 0.01 . 182 46 46 MET C C 178.837 0.05 . 183 46 46 MET CA C 59.393 0.05 . 184 46 46 MET CB C 32.117 0.05 . 185 46 46 MET N N 117.821 0.05 . 186 47 47 LEU H H 8.144 0.01 . 187 47 47 LEU C C 179.146 0.05 . 188 47 47 LEU CA C 57.071 0.05 . 189 47 47 LEU CB C 40.830 0.05 . 190 47 47 LEU N N 120.766 0.05 . 191 48 48 ARG H H 7.618 0.01 . 192 48 48 ARG C C 177.410 0.05 . 193 48 48 ARG CA C 56.747 0.05 . 194 48 48 ARG CB C 30.250 0.05 . 195 48 48 ARG N N 115.797 0.05 . 196 49 49 GLY H H 7.594 0.01 . 197 49 49 GLY C C 175.631 0.05 . 198 49 49 GLY CA C 46.281 0.05 . 199 49 49 GLY N N 108.133 0.05 . 200 50 50 THR H H 7.296 0.01 . 201 50 50 THR C C 174.057 0.05 . 202 50 50 THR CA C 60.217 0.05 . 203 50 50 THR CB C 69.804 0.05 . 204 50 50 THR N N 109.255 0.05 . 205 51 51 GLU H H 8.751 0.01 . 206 51 51 GLU C C 179.543 0.05 . 207 51 51 GLU CA C 59.834 0.05 . 208 51 51 GLU CB C 28.245 0.05 . 209 51 51 GLU N N 121.568 0.05 . 210 52 52 ILE H H 8.039 0.01 . 211 52 52 ILE C C 176.440 0.05 . 212 52 52 ILE CA C 61.598 0.05 . 213 52 52 ILE CB C 36.612 0.05 . 214 52 52 ILE N N 117.482 0.05 . 215 53 53 GLY H H 7.818 0.01 . 216 53 53 GLY C C 175.469 0.05 . 217 53 53 GLY CA C 46.134 0.05 . 218 53 53 GLY N N 111.791 0.05 . 219 54 54 VAL H H 8.378 0.01 . 220 54 54 VAL C C 178.837 0.05 . 221 54 54 VAL CA C 65.685 0.05 . 222 54 54 VAL N N 121.795 0.05 . 223 55 55 LEU H H 7.234 0.01 . 224 55 55 LEU C C 178.631 0.05 . 225 55 55 LEU CA C 57.218 0.05 . 226 55 55 LEU CB C 40.830 0.05 . 227 55 55 LEU N N 122.453 0.05 . 228 56 56 ALA H H 8.261 0.01 . 229 56 56 ALA C C 179.117 0.05 . 230 56 56 ALA CA C 55.130 0.05 . 231 56 56 ALA CB C 17.388 0.05 . 232 56 56 ALA N N 119.710 0.05 . 233 57 57 LYS H H 8.158 0.01 . 234 57 57 LYS C C 176.748 0.05 . 235 57 57 LYS CA C 58.541 0.05 . 236 57 57 LYS CB C 31.979 0.05 . 237 57 57 LYS N N 117.646 0.05 . 238 58 58 ALA H H 7.397 0.01 . 239 58 58 ALA C C 180.941 0.05 . 240 58 58 ALA CA C 54.366 0.05 . 241 58 58 ALA CB C 16.628 0.05 . 242 58 58 ALA N N 119.991 0.05 . 243 59 59 PHE H H 7.328 0.01 . 244 59 59 PHE C C 178.028 0.05 . 245 59 59 PHE CA C 62.245 0.05 . 246 59 59 PHE CB C 37.442 0.05 . 247 59 59 PHE N N 115.296 0.05 . 248 60 60 ILE H H 7.616 0.01 . 249 60 60 ILE C C 181.191 0.05 . 250 60 60 ILE CA C 63.686 0.05 . 251 60 60 ILE CB C 36.474 0.05 . 252 60 60 ILE N N 120.500 0.05 . 253 61 61 ASP H H 9.092 0.01 . 254 61 61 ASP C C 177.896 0.05 . 255 61 61 ASP CA C 56.571 0.05 . 256 61 61 ASP CB C 39.240 0.05 . 257 61 61 ASP N N 122.393 0.05 . 258 62 62 GLN H H 7.255 0.01 . 259 62 62 GLN C C 176.101 0.05 . 260 62 62 GLN CA C 54.925 0.05 . 261 62 62 GLN CB C 29.282 0.05 . 262 62 62 GLN N N 116.281 0.05 . 263 63 63 GLY H H 8.093 0.01 . 264 63 63 GLY C C 174.454 0.05 . 265 63 63 GLY CA C 45.664 0.05 . 266 63 63 GLY N N 109.818 0.05 . 267 64 64 LYS H H 7.962 0.01 . 268 64 64 LYS C C 175.778 0.05 . 269 64 64 LYS CA C 53.984 0.05 . 270 64 64 LYS CB C 34.745 0.05 . 271 64 64 LYS N N 119.710 0.05 . 272 65 65 LEU H H 7.863 0.01 . 273 65 65 LEU C C 177.263 0.05 . 274 65 65 LEU CA C 53.719 0.05 . 275 65 65 LEU CB C 40.761 0.05 . 276 65 65 LEU N N 120.163 0.05 . 277 66 66 ILE H H 8.153 0.01 . 278 66 66 ILE C C 174.498 0.05 . 279 66 66 ILE CA C 58.600 0.05 . 280 66 66 ILE CB C 37.027 0.05 . 281 66 66 ILE N N 122.833 0.05 . 282 70 70 VAL H H 7.014 0.01 . 283 70 70 VAL C C 176.999 0.05 . 284 70 70 VAL CA C 65.450 0.05 . 285 70 70 VAL CB C 30.181 0.05 . 286 70 70 VAL N N 122.217 0.05 . 287 71 71 MET H H 7.404 0.01 . 288 71 71 MET C C 178.175 0.05 . 289 71 71 MET CA C 56.159 0.05 . 290 71 71 MET CB C 29.490 0.05 . 291 71 71 MET N N 118.108 0.05 . 292 72 72 THR H H 8.327 0.01 . 293 72 72 THR C C 175.204 0.05 . 294 72 72 THR CA C 66.214 0.05 . 295 72 72 THR CB C 67.522 0.05 . 296 72 72 THR N N 116.786 0.05 . 297 73 73 ARG H H 7.394 0.01 . 298 73 73 ARG C C 178.955 0.05 . 299 73 73 ARG CA C 59.364 0.05 . 300 73 73 ARG CB C 29.420 0.05 . 301 73 73 ARG N N 119.856 0.05 . 302 74 74 LEU H H 8.076 0.01 . 303 74 74 LEU C C 177.866 0.05 . 304 74 74 LEU CA C 58.159 0.05 . 305 74 74 LEU CB C 40.761 0.05 . 306 74 74 LEU N N 120.603 0.05 . 307 75 75 ALA H H 8.112 0.01 . 308 75 75 ALA C C 178.999 0.05 . 309 75 75 ALA CA C 54.807 0.05 . 310 75 75 ALA CB C 15.245 0.05 . 311 75 75 ALA N N 120.642 0.05 . 312 76 76 LEU H H 8.249 0.01 . 313 76 76 LEU C C 179.837 0.05 . 314 76 76 LEU CA C 57.718 0.05 . 315 76 76 LEU CB C 38.963 0.05 . 316 76 76 LEU N N 114.603 0.05 . 317 77 77 HIS H H 7.853 0.01 . 318 77 77 HIS C C 177.410 0.05 . 319 77 77 HIS CA C 59.658 0.05 . 320 77 77 HIS CB C 29.766 0.05 . 321 77 77 HIS N N 119.597 0.05 . 322 78 78 GLU H H 7.567 0.01 . 323 78 78 GLU C C 179.882 0.05 . 324 78 78 GLU CA C 57.365 0.05 . 325 78 78 GLU CB C 28.245 0.05 . 326 78 78 GLU N N 117.623 0.05 . 327 79 79 LEU H H 8.133 0.01 . 328 79 79 LEU C C 179.381 0.05 . 329 79 79 LEU CA C 56.953 0.05 . 330 79 79 LEU CB C 39.862 0.05 . 331 79 79 LEU N N 118.413 0.05 . 332 80 80 LYS H H 7.092 0.01 . 333 80 80 LYS C C 177.690 0.05 . 334 80 80 LYS CA C 58.394 0.05 . 335 80 80 LYS CB C 31.011 0.05 . 336 80 80 LYS N N 118.819 0.05 . 337 81 81 ASN H H 7.246 0.01 . 338 81 81 ASN C C 175.660 0.05 . 339 81 81 ASN CA C 53.161 0.05 . 340 81 81 ASN CB C 38.479 0.05 . 341 81 81 ASN N N 114.303 0.05 . 342 82 82 LEU H H 7.694 0.01 . 343 82 82 LEU C C 177.616 0.05 . 344 82 82 LEU CA C 53.807 0.05 . 345 82 82 LEU CB C 42.352 0.05 . 346 82 82 LEU N N 120.371 0.05 . 347 83 83 THR H H 7.432 0.01 . 348 83 83 THR C C 175.748 0.05 . 349 83 83 THR CA C 64.333 0.05 . 350 83 83 THR CB C 68.559 0.05 . 351 83 83 THR N N 111.804 0.05 . 352 84 84 GLN H H 8.949 0.01 . 353 84 84 GLN C C 174.263 0.05 . 354 84 84 GLN CA C 55.277 0.05 . 355 84 84 GLN CB C 27.069 0.05 . 356 84 84 GLN N N 119.355 0.05 . 357 85 85 TYR H H 7.697 0.01 . 358 85 85 TYR C C 175.748 0.05 . 359 85 85 TYR CA C 56.248 0.05 . 360 85 85 TYR CB C 40.623 0.05 . 361 85 85 TYR N N 119.490 0.05 . 362 86 86 SER H H 8.663 0.01 . 363 86 86 SER C C 174.292 0.05 . 364 86 86 SER CA C 59.423 0.05 . 365 86 86 SER CB C 63.245 0.05 . 366 86 86 SER N N 118.402 0.05 . 367 87 87 TRP H H 8.412 0.01 . 368 87 87 TRP C C 173.998 0.05 . 369 87 87 TRP CA C 54.307 0.05 . 370 87 87 TRP CB C 34.053 0.05 . 371 87 87 TRP N N 120.753 0.05 . 372 88 88 LEU H H 8.609 0.01 . 373 88 88 LEU CA C 52.720 0.05 . 374 88 88 LEU CB C 45.048 0.05 . 375 88 88 LEU N N 121.381 0.05 . 376 89 89 LEU H H 9.522 0.01 . 377 89 89 LEU C C 176.351 0.05 . 378 89 89 LEU CA C 55.042 0.05 . 379 89 89 LEU CB C 42.697 0.05 . 380 89 89 LEU N N 129.631 0.05 . 381 90 90 ASP H H 8.292 0.01 . 382 90 90 ASP C C 176.013 0.05 . 383 90 90 ASP CA C 52.573 0.05 . 384 90 90 ASP CB C 43.312 0.05 . 385 90 90 ASP N N 121.455 0.05 . 386 91 91 GLY H H 9.151 0.01 . 387 91 91 GLY CA C 44.223 0.05 . 388 91 91 GLY N N 115.314 0.05 . 389 92 92 PHE H H 7.328 0.01 . 390 92 92 PHE C C 171.335 0.05 . 391 92 92 PHE CA C 54.572 0.05 . 392 92 92 PHE CB C 41.798 0.05 . 393 92 92 PHE N N 121.070 0.05 . 394 94 94 ARG H H 8.614 0.01 . 395 94 94 ARG C C 174.851 0.05 . 396 94 94 ARG CA C 55.748 0.05 . 397 94 94 ARG CB C 31.426 0.05 . 398 94 94 ARG N N 118.261 0.05 . 399 95 95 THR H H 6.940 0.01 . 400 95 95 THR C C 175.072 0.05 . 401 95 95 THR CA C 57.600 0.05 . 402 95 95 THR CB C 71.325 0.05 . 403 95 95 THR N N 105.203 0.05 . 404 96 96 LEU H H 9.077 0.01 . 405 96 96 LEU C C 174.571 0.05 . 406 96 96 LEU CA C 58.717 0.05 . 407 96 96 LEU CB C 38.272 0.05 . 408 96 96 LEU N N 122.317 0.05 . 409 98 98 GLN H H 6.804 0.01 . 410 98 98 GLN C C 176.807 0.05 . 411 98 98 GLN CA C 58.217 0.05 . 412 98 98 GLN CB C 27.415 0.05 . 413 98 98 GLN N N 115.319 0.05 . 414 99 99 ALA H H 7.800 0.01 . 415 99 99 ALA C C 180.676 0.05 . 416 99 99 ALA CA C 54.454 0.05 . 417 99 99 ALA CB C 16.697 0.05 . 418 99 99 ALA N N 123.871 0.05 . 419 100 100 GLU H H 8.228 0.01 . 420 100 100 GLU C C 179.161 0.05 . 421 100 100 GLU CA C 59.070 0.05 . 422 100 100 GLU CB C 28.936 0.05 . 423 100 100 GLU N N 118.571 0.05 . 424 101 101 ALA H H 7.696 0.01 . 425 101 101 ALA C C 181.000 0.05 . 426 101 101 ALA CA C 54.484 0.05 . 427 101 101 ALA CB C 17.665 0.05 . 428 101 101 ALA N N 121.718 0.05 . 429 102 102 LEU H H 8.341 0.01 . 430 102 102 LEU C C 177.513 0.05 . 431 102 102 LEU CA C 57.776 0.05 . 432 102 102 LEU CB C 40.623 0.05 . 433 102 102 LEU N N 119.940 0.05 . 434 103 103 ASP H H 7.501 0.01 . 435 103 103 ASP C C 178.058 0.05 . 436 103 103 ASP CA C 55.983 0.05 . 437 103 103 ASP CB C 40.843 0.05 . 438 103 103 ASP N N 118.041 0.05 . 439 104 104 ARG H H 7.306 0.01 . 440 104 104 ARG C C 176.690 0.05 . 441 104 104 ARG CA C 57.659 0.05 . 442 104 104 ARG CB C 29.282 0.05 . 443 104 104 ARG N N 116.191 0.05 . 444 105 105 ALA H H 7.293 0.01 . 445 105 105 ALA C C 176.807 0.05 . 446 105 105 ALA CA C 53.249 0.05 . 447 105 105 ALA CB C 20.984 0.05 . 448 105 105 ALA N N 121.233 0.05 . 449 106 106 TYR H H 8.654 0.01 . 450 106 106 TYR C C 172.630 0.05 . 451 106 106 TYR CA C 56.718 0.05 . 452 106 106 TYR CB C 40.899 0.05 . 453 106 106 TYR N N 116.374 0.05 . 454 107 107 GLN H H 7.983 0.01 . 455 107 107 GLN C C 175.542 0.05 . 456 107 107 GLN CA C 56.483 0.05 . 457 107 107 GLN CB C 27.484 0.05 . 458 107 107 GLN N N 119.112 0.05 . 459 108 108 ILE H H 8.186 0.01 . 460 108 108 ILE C C 176.910 0.05 . 461 108 108 ILE CA C 58.570 0.05 . 462 108 108 ILE CB C 35.160 0.05 . 463 108 108 ILE N N 126.579 0.05 . 464 109 109 ASP H H 8.625 0.01 . 465 109 109 ASP C C 176.042 0.05 . 466 109 109 ASP CA C 55.219 0.05 . 467 109 109 ASP CB C 43.250 0.05 . 468 109 109 ASP N N 124.879 0.05 . 469 110 110 THR H H 7.148 0.01 . 470 110 110 THR C C 170.850 0.05 . 471 110 110 THR CA C 61.922 0.05 . 472 110 110 THR CB C 71.256 0.05 . 473 110 110 THR N N 114.355 0.05 . 474 111 111 VAL H H 8.074 0.01 . 475 111 111 VAL C C 173.718 0.05 . 476 111 111 VAL CA C 60.246 0.05 . 477 111 111 VAL CB C 32.463 0.05 . 478 111 111 VAL N N 127.623 0.05 . 479 112 112 ILE H H 8.911 0.01 . 480 112 112 ILE C C 177.013 0.05 . 481 112 112 ILE CA C 59.482 0.05 . 482 112 112 ILE CB C 39.171 0.05 . 483 112 112 ILE N N 127.432 0.05 . 484 113 113 ASN H H 8.907 0.01 . 485 113 113 ASN C C 173.630 0.05 . 486 113 113 ASN CA C 51.103 0.05 . 487 113 113 ASN CB C 41.453 0.05 . 488 113 113 ASN N N 125.388 0.05 . 489 114 114 LEU H H 8.046 0.01 . 490 114 114 LEU C C 174.380 0.05 . 491 114 114 LEU CA C 53.190 0.05 . 492 114 114 LEU CB C 40.519 0.05 . 493 114 114 LEU N N 127.267 0.05 . 494 115 115 ASN H H 8.877 0.01 . 495 115 115 ASN C C 172.821 0.05 . 496 115 115 ASN CA C 52.043 0.05 . 497 115 115 ASN CB C 38.894 0.05 . 498 115 115 ASN N N 124.620 0.05 . 499 116 116 VAL H H 7.249 0.01 . 500 116 116 VAL C C 173.939 0.05 . 501 116 116 VAL CA C 57.659 0.05 . 502 116 116 VAL CB C 34.883 0.05 . 503 116 116 VAL N N 128.322 0.05 . 504 118 118 PHE H H 8.880 0.01 . 505 118 118 PHE C C 176.999 0.05 . 506 118 118 PHE CA C 60.217 0.05 . 507 118 118 PHE CB C 37.926 0.05 . 508 118 118 PHE N N 126.062 0.05 . 509 119 119 GLU H H 9.260 0.01 . 510 119 119 GLU C C 179.043 0.05 . 511 119 119 GLU CA C 59.188 0.05 . 512 119 119 GLU CB C 28.107 0.05 . 513 119 119 GLU N N 116.572 0.05 . 514 120 120 VAL H H 6.923 0.01 . 515 120 120 VAL C C 178.058 0.05 . 516 120 120 VAL CA C 64.774 0.05 . 517 120 120 VAL CB C 30.803 0.05 . 518 120 120 VAL N N 119.315 0.05 . 519 121 121 ILE H H 7.508 0.01 . 520 121 121 ILE C C 177.763 0.05 . 521 121 121 ILE CA C 65.303 0.05 . 522 121 121 ILE CB C 36.197 0.05 . 523 121 121 ILE N N 119.535 0.05 . 524 122 122 LYS H H 8.458 0.01 . 525 122 122 LYS C C 178.940 0.05 . 526 122 122 LYS CA C 59.599 0.05 . 527 122 122 LYS CB C 30.873 0.05 . 528 122 122 LYS N N 118.689 0.05 . 529 123 123 GLN H H 7.373 0.01 . 530 123 123 GLN C C 177.749 0.05 . 531 123 123 GLN CA C 58.335 0.05 . 532 123 123 GLN CB C 27.415 0.05 . 533 123 123 GLN N N 119.045 0.05 . 534 124 124 ARG H H 7.697 0.01 . 535 124 124 ARG C C 179.749 0.05 . 536 124 124 ARG CA C 58.717 0.05 . 537 124 124 ARG CB C 29.490 0.05 . 538 124 124 ARG N N 118.114 0.05 . 539 125 125 LEU H H 8.157 0.01 . 540 125 125 LEU C C 178.381 0.05 . 541 125 125 LEU CA C 56.101 0.05 . 542 125 125 LEU CB C 41.798 0.05 . 543 125 125 LEU N N 116.764 0.05 . 544 126 126 THR H H 7.443 0.01 . 545 126 126 THR C C 174.660 0.05 . 546 126 126 THR CA C 60.658 0.05 . 547 126 126 THR CB C 69.389 0.05 . 548 126 126 THR N N 107.671 0.05 . 549 127 127 ALA H H 6.770 0.01 . 550 127 127 ALA C C 177.219 0.05 . 551 127 127 ALA CA C 52.631 0.05 . 552 127 127 ALA CB C 19.117 0.05 . 553 127 127 ALA N N 122.954 0.05 . 554 128 128 ARG H H 7.546 0.01 . 555 128 128 ARG C C 175.748 0.05 . 556 128 128 ARG CA C 56.600 0.05 . 557 128 128 ARG CB C 30.873 0.05 . 558 128 128 ARG N N 118.560 0.05 . 559 133 133 ALA H H 6.857 0.01 . 560 133 133 ALA C C 178.161 0.05 . 561 133 133 ALA CA C 54.395 0.05 . 562 133 133 ALA CB C 17.734 0.05 . 563 133 133 ALA N N 115.032 0.05 . 564 134 134 SER H H 6.734 0.01 . 565 134 134 SER C C 176.675 0.05 . 566 134 134 SER CA C 58.600 0.05 . 567 134 134 SER CB C 64.964 0.05 . 568 134 134 SER N N 109.306 0.05 . 569 135 135 GLY H H 8.432 0.01 . 570 135 135 GLY C C 174.292 0.05 . 571 135 135 GLY CA C 44.929 0.05 . 572 135 135 GLY N N 113.824 0.05 . 573 136 136 ARG H H 8.506 0.01 . 574 136 136 ARG C C 174.983 0.05 . 575 136 136 ARG CA C 58.835 0.05 . 576 136 136 ARG CB C 31.841 0.05 . 577 136 136 ARG N N 122.091 0.05 . 578 137 137 VAL H H 7.837 0.01 . 579 137 137 VAL C C 175.734 0.05 . 580 137 137 VAL CA C 60.746 0.05 . 581 137 137 VAL CB C 33.224 0.05 . 582 137 137 VAL N N 120.654 0.05 . 583 138 138 TYR H H 9.513 0.01 . 584 138 138 TYR C C 173.998 0.05 . 585 138 138 TYR CA C 56.424 0.05 . 586 138 138 TYR CB C 39.655 0.05 . 587 138 138 TYR N N 126.778 0.05 . 588 139 139 ASN H H 8.235 0.01 . 589 139 139 ASN C C 176.925 0.05 . 590 139 139 ASN CA C 51.749 0.05 . 591 139 139 ASN CB C 40.235 0.05 . 592 139 139 ASN N N 121.919 0.05 . 593 140 140 ILE H H 8.982 0.01 . 594 140 140 ILE C C 175.410 0.05 . 595 140 140 ILE CA C 64.009 0.05 . 596 140 140 ILE CB C 36.405 0.05 . 597 140 140 ILE N N 122.740 0.05 . 598 141 141 GLU H H 8.081 0.01 . 599 141 141 GLU C C 176.851 0.05 . 600 141 141 GLU CA C 57.424 0.05 . 601 141 141 GLU CB C 29.282 0.05 . 602 141 141 GLU N N 117.759 0.05 . 603 142 142 PHE H H 7.594 0.01 . 604 142 142 PHE C C 174.674 0.05 . 605 142 142 PHE CA C 58.276 0.05 . 606 142 142 PHE CB C 41.176 0.05 . 607 142 142 PHE N N 115.642 0.05 . 608 143 143 ASN H H 9.050 0.01 . 609 143 143 ASN C C 170.335 0.05 . 610 143 143 ASN CA C 51.808 0.05 . 611 143 143 ASN CB C 37.373 0.05 . 612 143 143 ASN N N 118.763 0.05 . 613 146 146 LYS H H 9.731 0.01 . 614 146 146 LYS C C 177.705 0.05 . 615 146 146 LYS CA C 58.717 0.05 . 616 146 146 LYS CB C 31.149 0.05 . 617 146 146 LYS N N 124.497 0.05 . 618 147 147 THR H H 8.621 0.01 . 619 147 147 THR C C 172.512 0.05 . 620 147 147 THR CA C 60.746 0.05 . 621 147 147 THR CB C 69.251 0.05 . 622 147 147 THR N N 117.017 0.05 . 623 148 148 VAL H H 7.690 0.01 . 624 148 148 VAL C C 176.837 0.05 . 625 148 148 VAL CA C 63.598 0.05 . 626 148 148 VAL CB C 30.665 0.05 . 627 148 148 VAL N N 123.930 0.05 . 628 149 149 GLY H H 7.675 0.01 . 629 149 149 GLY C C 173.762 0.05 . 630 149 149 GLY CA C 44.840 0.05 . 631 149 149 GLY N N 110.388 0.05 . 632 150 150 ILE H H 7.385 0.01 . 633 150 150 ILE C C 174.660 0.05 . 634 150 150 ILE CA C 57.835 0.05 . 635 150 150 ILE CB C 39.862 0.05 . 636 150 150 ILE N N 119.648 0.05 . 637 151 151 ASP H H 8.906 0.01 . 638 151 151 ASP C C 176.646 0.05 . 639 151 151 ASP CA C 54.072 0.05 . 640 151 151 ASP CB C 43.043 0.05 . 641 151 151 ASP N N 122.974 0.05 . 642 152 152 ASP H H 7.539 0.01 . 643 152 152 ASP C C 176.822 0.05 . 644 152 152 ASP CA C 56.894 0.05 . 645 152 152 ASP CB C 40.048 0.05 . 646 152 152 ASP N N 126.025 0.05 . 647 153 153 LEU H H 6.469 0.01 . 648 153 153 LEU C C 178.528 0.05 . 649 153 153 LEU CA C 56.793 0.05 . 650 153 153 LEU CB C 41.383 0.05 . 651 153 153 LEU N N 114.600 0.05 . 652 154 154 THR H H 7.250 0.01 . 653 154 154 THR C C 176.572 0.05 . 654 154 154 THR CA C 61.598 0.05 . 655 154 154 THR CB C 72.432 0.05 . 656 154 154 THR N N 105.345 0.05 . 657 155 155 GLY H H 7.754 0.01 . 658 155 155 GLY C C 173.454 0.05 . 659 155 155 GLY CA C 45.428 0.05 . 660 155 155 GLY N N 111.017 0.05 . 661 156 156 GLU H H 7.502 0.01 . 662 156 156 GLU C C 173.733 0.05 . 663 156 156 GLU CA C 54.072 0.05 . 664 156 156 GLU CB C 28.591 0.05 . 665 156 156 GLU N N 119.905 0.05 . 666 158 158 LEU H H 7.479 0.01 . 667 158 158 LEU C C 177.057 0.05 . 668 158 158 LEU CA C 51.985 0.05 . 669 158 158 LEU CB C 43.458 0.05 . 670 158 158 LEU N N 117.629 0.05 . 671 159 159 ILE H H 9.212 0.01 . 672 159 159 ILE C C 174.469 0.05 . 673 159 159 ILE CA C 58.894 0.05 . 674 159 159 ILE CB C 41.548 0.05 . 675 159 159 ILE N N 114.914 0.05 . 676 160 160 GLN H H 8.099 0.01 . 677 160 160 GLN C C 176.234 0.05 . 678 160 160 GLN CA C 54.454 0.05 . 679 160 160 GLN CB C 30.389 0.05 . 680 160 160 GLN N N 118.921 0.05 . 681 161 161 ARG H H 9.021 0.01 . 682 161 161 ARG C C 177.337 0.05 . 683 161 161 ARG CA C 55.219 0.05 . 684 161 161 ARG CB C 29.490 0.05 . 685 161 161 ARG N N 124.102 0.05 . 686 162 162 GLU H H 8.549 0.01 . 687 162 162 GLU C C 178.337 0.05 . 688 162 162 GLU CA C 58.982 0.05 . 689 162 162 GLU CB C 28.729 0.05 . 690 162 162 GLU N N 122.073 0.05 . 691 163 163 ASP H H 7.309 0.01 . 692 163 163 ASP C C 177.896 0.05 . 693 163 163 ASP CA C 60.687 0.05 . 694 163 163 ASP CB C 37.373 0.05 . 695 163 163 ASP N N 121.601 0.05 . 696 164 164 ASP H H 7.990 0.01 . 697 164 164 ASP CA C 59.893 0.05 . 698 164 164 ASP CB C 37.304 0.05 . 699 164 164 ASP N N 118.377 0.05 . 700 167 167 GLU H H 9.097 0.01 . 701 167 167 GLU C C 178.778 0.05 . 702 167 167 GLU CA C 59.452 0.05 . 703 167 167 GLU CB C 27.968 0.05 . 704 167 167 GLU N N 114.965 0.05 . 705 168 168 THR H H 7.104 0.01 . 706 168 168 THR C C 176.395 0.05 . 707 168 168 THR CA C 64.656 0.05 . 708 168 168 THR CB C 68.006 0.05 . 709 168 168 THR N N 116.360 0.05 . 710 169 169 VAL H H 8.137 0.01 . 711 169 169 VAL C C 177.749 0.05 . 712 169 169 VAL CA C 66.626 0.05 . 713 169 169 VAL CB C 31.011 0.05 . 714 169 169 VAL N N 124.202 0.05 . 715 170 170 ILE H H 8.472 0.01 . 716 170 170 ILE CA C 65.240 0.05 . 717 170 170 ILE CB C 36.889 0.05 . 718 170 170 ILE N N 118.645 0.05 . 719 171 171 LYS H H 7.108 0.01 . 720 171 171 LYS C C 179.602 0.05 . 721 171 171 LYS CA C 59.482 0.05 . 722 171 171 LYS CB C 31.426 0.05 . 723 171 171 LYS N N 119.389 0.05 . 724 172 172 ARG H H 8.057 0.01 . 725 172 172 ARG C C 180.073 0.05 . 726 172 172 ARG CA C 58.835 0.05 . 727 172 172 ARG CB C 29.490 0.05 . 728 172 172 ARG N N 121.008 0.05 . 729 173 173 LEU H H 8.532 0.01 . 730 173 173 LEU C C 179.264 0.05 . 731 173 173 LEU CA C 57.188 0.05 . 732 173 173 LEU CB C 40.000 0.05 . 733 173 173 LEU N N 121.907 0.05 . 734 174 174 LYS H H 8.358 0.01 . 735 174 174 LYS C C 178.308 0.05 . 736 174 174 LYS CA C 58.570 0.05 . 737 174 174 LYS CB C 30.803 0.05 . 738 174 174 LYS N N 121.795 0.05 . 739 175 175 ALA H H 7.863 0.01 . 740 175 175 ALA C C 180.441 0.05 . 741 175 175 ALA CA C 54.542 0.05 . 742 175 175 ALA CB C 16.835 0.05 . 743 175 175 ALA N N 120.811 0.05 . 744 176 176 TYR H H 7.815 0.01 . 745 176 176 TYR C C 178.631 0.05 . 746 176 176 TYR CA C 61.716 0.05 . 747 176 176 TYR CB C 36.889 0.05 . 748 176 176 TYR N N 118.830 0.05 . 749 177 177 GLU H H 8.559 0.01 . 750 177 177 GLU C C 178.440 0.05 . 751 177 177 GLU CA C 59.393 0.05 . 752 177 177 GLU CB C 28.936 0.05 . 753 177 177 GLU N N 124.144 0.05 . 754 178 178 ASP H H 8.474 0.01 . 755 178 178 ASP C C 178.131 0.05 . 756 178 178 ASP CA C 56.689 0.05 . 757 178 178 ASP CB C 39.793 0.05 . 758 178 178 ASP N N 118.706 0.05 . 759 179 179 GLN H H 7.727 0.01 . 760 179 179 GLN C C 177.410 0.05 . 761 179 179 GLN CA C 57.482 0.05 . 762 179 179 GLN CB C 28.521 0.05 . 763 179 179 GLN N N 116.718 0.05 . 764 180 180 THR H H 7.772 0.01 . 765 180 180 THR C C 176.175 0.05 . 766 180 180 THR CA C 64.362 0.05 . 767 180 180 THR CB C 68.836 0.05 . 768 180 180 THR N N 110.749 0.05 . 769 181 181 LYS H H 8.049 0.01 . 770 181 181 LYS C C 175.381 0.05 . 771 181 181 LYS CA C 61.804 0.05 . 772 181 181 LYS CB C 28.729 0.05 . 773 181 181 LYS N N 125.646 0.05 . 774 183 183 VAL H H 6.891 0.01 . 775 183 183 VAL C C 176.748 0.05 . 776 183 183 VAL CA C 65.479 0.05 . 777 183 183 VAL CB C 30.879 0.05 . 778 183 183 VAL N N 118.842 0.05 . 779 184 184 LEU H H 8.057 0.01 . 780 184 184 LEU C C 179.426 0.05 . 781 184 184 LEU CA C 57.835 0.05 . 782 184 184 LEU CB C 39.793 0.05 . 783 184 184 LEU N N 119.128 0.05 . 784 185 185 GLU H H 7.955 0.01 . 785 185 185 GLU C C 178.219 0.05 . 786 185 185 GLU CA C 59.041 0.05 . 787 185 185 GLU CB C 28.591 0.05 . 788 185 185 GLU N N 117.680 0.05 . 789 188 188 GLN H H 8.900 0.01 . 790 188 188 GLN C C 180.396 0.05 . 791 188 188 GLN CA C 58.019 0.05 . 792 188 188 GLN CB C 27.277 0.05 . 793 188 188 GLN N N 122.873 0.05 . 794 189 189 LYS H H 8.105 0.01 . 795 189 189 LYS C C 178.749 0.05 . 796 189 189 LYS CA C 58.688 0.05 . 797 189 189 LYS CB C 30.803 0.05 . 798 189 189 LYS N N 121.612 0.05 . 799 190 190 LYS H H 7.236 0.01 . 800 190 190 LYS C C 177.043 0.05 . 801 190 190 LYS CA C 55.983 0.05 . 802 190 190 LYS CB C 31.979 0.05 . 803 190 190 LYS N N 116.371 0.05 . 804 191 191 GLY H H 7.618 0.01 . 805 191 191 GLY C C 175.601 0.05 . 806 191 191 GLY CA C 45.487 0.05 . 807 191 191 GLY N N 107.223 0.05 . 808 192 192 VAL H H 7.101 0.01 . 809 192 192 VAL C C 174.748 0.05 . 810 192 192 VAL CA C 59.687 0.05 . 811 192 192 VAL CB C 31.564 0.05 . 812 192 192 VAL N N 107.948 0.05 . 813 193 193 LEU H H 7.234 0.01 . 814 193 193 LEU C C 174.571 0.05 . 815 193 193 LEU CA C 54.278 0.05 . 816 193 193 LEU CB C 42.628 0.05 . 817 193 193 LEU N N 125.693 0.05 . 818 194 194 GLU H H 9.220 0.01 . 819 194 194 GLU C C 173.630 0.05 . 820 194 194 GLU CA C 54.337 0.05 . 821 194 194 GLU CB C 29.835 0.05 . 822 194 194 GLU N N 132.431 0.05 . 823 195 195 THR H H 8.031 0.01 . 824 195 195 THR C C 173.865 0.05 . 825 195 195 THR CA C 61.598 0.05 . 826 195 195 THR CB C 68.836 0.05 . 827 195 195 THR N N 122.883 0.05 . 828 196 196 PHE H H 8.927 0.01 . 829 196 196 PHE C C 174.277 0.05 . 830 196 196 PHE CA C 56.365 0.05 . 831 196 196 PHE CB C 39.931 0.05 . 832 196 196 PHE N N 128.034 0.05 . 833 197 197 SER H H 8.676 0.01 . 834 197 197 SER C C 173.968 0.05 . 835 197 197 SER CA C 56.428 0.05 . 836 197 197 SER CB C 64.134 0.05 . 837 197 197 SER N N 120.248 0.05 . 838 198 198 GLY H H 7.691 0.01 . 839 198 198 GLY C C 171.159 0.05 . 840 198 198 GLY CA C 44.546 0.05 . 841 198 198 GLY N N 109.760 0.05 . 842 199 199 THR H H 8.606 0.01 . 843 199 199 THR C C 174.263 0.05 . 844 199 199 THR CA C 61.951 0.05 . 845 199 199 THR CB C 69.182 0.05 . 846 199 199 THR N N 106.007 0.05 . 847 200 200 GLU H H 7.433 0.01 . 848 200 200 GLU C C 177.249 0.05 . 849 200 200 GLU CA C 54.219 0.05 . 850 200 200 GLU CB C 31.633 0.05 . 851 200 200 GLU N N 119.146 0.05 . 852 203 203 LYS H H 7.307 0.01 . 853 203 203 LYS C C 177.881 0.05 . 854 203 203 LYS CA C 56.600 0.05 . 855 203 203 LYS CB C 31.979 0.05 . 856 203 203 LYS N N 117.341 0.05 . 857 204 204 ILE H H 7.496 0.01 . 858 204 204 ILE C C 177.912 0.05 . 859 204 204 ILE CA C 63.451 0.05 . 860 204 204 ILE CB C 39.585 0.05 . 861 204 204 ILE N N 120.273 0.05 . 862 205 205 TRP H H 8.362 0.01 . 863 205 205 TRP HE1 H 10.331 0.01 . 864 205 205 TRP C C 171.541 0.05 . 865 205 205 TRP CA C 60.540 0.05 . 866 205 205 TRP CB C 27.484 0.05 . 867 205 205 TRP N N 118.261 0.05 . 868 205 205 TRP NE1 N 131.635 0.05 . 869 207 207 TYR H H 7.025 0.01 . 870 207 207 TYR C C 178.558 0.05 . 871 207 207 TYR CA C 60.628 0.05 . 872 207 207 TYR CB C 37.027 0.05 . 873 207 207 TYR N N 114.848 0.05 . 874 208 208 VAL H H 7.115 0.01 . 875 208 208 VAL C C 176.778 0.05 . 876 208 208 VAL CA C 65.126 0.05 . 877 208 208 VAL CB C 29.835 0.05 . 878 208 208 VAL N N 123.805 0.05 . 879 209 209 TYR H H 7.842 0.01 . 880 209 209 TYR C C 176.513 0.05 . 881 209 209 TYR CA C 60.422 0.05 . 882 209 209 TYR CB C 36.059 0.05 . 883 209 209 TYR N N 119.930 0.05 . 884 210 210 ALA H H 7.367 0.01 . 885 210 210 ALA C C 179.911 0.05 . 886 210 210 ALA CA C 53.954 0.05 . 887 210 210 ALA CB C 17.250 0.05 . 888 210 210 ALA N N 118.734 0.05 . 889 211 211 PHE H H 7.475 0.01 . 890 211 211 PHE C C 177.940 0.05 . 891 211 211 PHE CA C 59.776 0.05 . 892 211 211 PHE CB C 38.963 0.05 . 893 211 211 PHE N N 117.804 0.05 . 894 212 212 LEU H H 8.144 0.01 . 895 212 212 LEU C C 178.631 0.05 . 896 212 212 LEU CA C 56.248 0.05 . 897 212 212 LEU CB C 39.655 0.05 . 898 212 212 LEU N N 119.739 0.05 . 899 213 213 GLN H H 7.744 0.01 . 900 213 213 GLN C C 177.572 0.05 . 901 213 213 GLN CA C 58.159 0.05 . 902 213 213 GLN CB C 27.899 0.05 . 903 213 213 GLN N N 117.578 0.05 . 904 222 222 LYS H H 8.155 0.01 . 905 222 222 LYS C C 176.160 0.05 . 906 222 222 LYS CA C 55.689 0.05 . 907 222 222 LYS CB C 31.979 0.05 . 908 222 222 LYS N N 122.938 0.05 . 909 223 223 ALA H H 8.202 0.01 . 910 223 223 ALA C C 177.572 0.05 . 911 223 223 ALA CA C 51.838 0.05 . 912 223 223 ALA CB C 18.426 0.05 . 913 223 223 ALA N N 125.783 0.05 . 914 224 224 SER H H 8.148 0.01 . 915 224 224 SER CA C 57.688 0.05 . 916 224 224 SER CB C 63.511 0.05 . 917 224 224 SER N N 115.762 0.05 . 918 225 225 VAL H H 8.032 0.01 . 919 225 225 VAL C C 174.925 0.05 . 920 225 225 VAL CA C 61.657 0.05 . 921 225 225 VAL CB C 31.910 0.05 . 922 225 225 VAL N N 122.330 0.05 . 923 226 226 THR H H 7.745 0.01 . 924 226 226 THR C C 172.144 0.05 . 925 226 226 THR CA C 58.129 0.05 . 926 226 226 THR CB C 70.012 0.05 . 927 226 226 THR N N 117.849 0.05 . stop_ save_