data_27463 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone chemical shift assignments for Holo form of Biliverdin reductase B ; _BMRB_accession_number 27463 _BMRB_flat_file_name bmr27463.str _Entry_type original _Submission_date 2018-04-23 _Accession_date 2018-04-23 _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 Paukovich Natasia A. . 2 Eisenmesser Elan Z. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 181 "13C chemical shifts" 373 "15N chemical shifts" 180 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-09-18 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 27462 'Apo form of Biliverdin reductase B' stop_ _Original_release_date 2018-04-23 save_ ############################# # Citation for this entry # ############################# save_BLVRB_citaiton_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Biliverdin Reductase B Dynamics Are Coupled to Coenzyme Binding. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29932944 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Paukovich Natasia . . 2 Xue Mengjun . . 3 Elder James R. . 4 Redzic Jasmina S. . 5 Blue Ashley . . 6 Pike Hamish . . 7 Miller Brian G. . 8 Pitts Todd M. . 9 Pollock David D. . 10 Hansen Kirk . . 11 D'Alessandro Angelo . . 12 Eisenmesser 'Elan Zohar' Z. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 430 _Journal_issue '18 Pt B' _Journal_ISSN 1089-8638 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3234 _Page_last 3250 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Reductase complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label BLVRB $BLVRB NADP $entity_NAP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'reduce flavins' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_BLVRB _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common BLVRB _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 206 _Mol_residue_sequence ; MAVKKIAIFGATGQTGLTTL AQAVQAGYEVTVLVRDSSRL PSEGPRPAHVVVGDVLQAAD VDKTVAGQDAVIVLLGTRND LSPTTVMSEGARNIVAAMKA HGVDKVVACTSAFLLWDPTK VPPRLQAVTDDHIRMHKVLR ESGLKYVAVMPPHIGDQPLT GAYTVTLDGRGPSRVISKHD LGHFMLRCLTTDEYDGHSTY PSHQYQ ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 VAL 4 LYS 5 LYS 6 ILE 7 ALA 8 ILE 9 PHE 10 GLY 11 ALA 12 THR 13 GLY 14 GLN 15 THR 16 GLY 17 LEU 18 THR 19 THR 20 LEU 21 ALA 22 GLN 23 ALA 24 VAL 25 GLN 26 ALA 27 GLY 28 TYR 29 GLU 30 VAL 31 THR 32 VAL 33 LEU 34 VAL 35 ARG 36 ASP 37 SER 38 SER 39 ARG 40 LEU 41 PRO 42 SER 43 GLU 44 GLY 45 PRO 46 ARG 47 PRO 48 ALA 49 HIS 50 VAL 51 VAL 52 VAL 53 GLY 54 ASP 55 VAL 56 LEU 57 GLN 58 ALA 59 ALA 60 ASP 61 VAL 62 ASP 63 LYS 64 THR 65 VAL 66 ALA 67 GLY 68 GLN 69 ASP 70 ALA 71 VAL 72 ILE 73 VAL 74 LEU 75 LEU 76 GLY 77 THR 78 ARG 79 ASN 80 ASP 81 LEU 82 SER 83 PRO 84 THR 85 THR 86 VAL 87 MET 88 SER 89 GLU 90 GLY 91 ALA 92 ARG 93 ASN 94 ILE 95 VAL 96 ALA 97 ALA 98 MET 99 LYS 100 ALA 101 HIS 102 GLY 103 VAL 104 ASP 105 LYS 106 VAL 107 VAL 108 ALA 109 CYS 110 THR 111 SER 112 ALA 113 PHE 114 LEU 115 LEU 116 TRP 117 ASP 118 PRO 119 THR 120 LYS 121 VAL 122 PRO 123 PRO 124 ARG 125 LEU 126 GLN 127 ALA 128 VAL 129 THR 130 ASP 131 ASP 132 HIS 133 ILE 134 ARG 135 MET 136 HIS 137 LYS 138 VAL 139 LEU 140 ARG 141 GLU 142 SER 143 GLY 144 LEU 145 LYS 146 TYR 147 VAL 148 ALA 149 VAL 150 MET 151 PRO 152 PRO 153 HIS 154 ILE 155 GLY 156 ASP 157 GLN 158 PRO 159 LEU 160 THR 161 GLY 162 ALA 163 TYR 164 THR 165 VAL 166 THR 167 LEU 168 ASP 169 GLY 170 ARG 171 GLY 172 PRO 173 SER 174 ARG 175 VAL 176 ILE 177 SER 178 LYS 179 HIS 180 ASP 181 LEU 182 GLY 183 HIS 184 PHE 185 MET 186 LEU 187 ARG 188 CYS 189 LEU 190 THR 191 THR 192 ASP 193 GLU 194 TYR 195 ASP 196 GLY 197 HIS 198 SER 199 THR 200 TYR 201 PRO 202 SER 203 HIS 204 GLN 205 TYR 206 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_NAP _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_NAP (NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE)" _BMRB_code NAP _PDB_code NAP _Molecular_mass 743.405 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons PA PA P . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? O5B O5B O . 0 . ? C5B C5B C . 0 . ? C4B C4B C . 0 . ? O4B O4B O . 0 . ? C3B C3B C . 0 . ? O3B O3B O . 0 . ? C2B C2B C . 0 . ? O2B O2B O . 0 . ? C1B C1B C . 0 . ? N9A N9A N . 0 . ? C8A C8A C . 0 . ? N7A N7A N . 0 . ? C5A C5A C . 0 . ? C6A C6A C . 0 . ? N6A N6A N . 0 . ? N1A N1A N . 0 . ? C2A C2A C . 0 . ? N3A N3A N . 0 . ? C4A C4A C . 0 . ? O3 O3 O . 0 . ? PN PN P . 0 . ? O1N O1N O . 0 . ? O2N O2N O . -1 . ? O5D O5D O . 0 . ? C5D C5D C . 0 . ? C4D C4D C . 0 . ? O4D O4D O . 0 . ? C3D C3D C . 0 . ? O3D O3D O . 0 . ? C2D C2D C . 0 . ? O2D O2D O . 0 . ? C1D C1D C . 0 . ? N1N N1N N . 1 . ? C2N C2N C . 0 . ? C3N C3N C . 0 . ? C7N C7N C . 0 . ? O7N O7N O . 0 . ? N7N N7N N . 0 . ? C4N C4N C . 0 . ? C5N C5N C . 0 . ? C6N C6N C . 0 . ? P2B P2B P . 0 . ? O1X O1X O . 0 . ? O2X O2X O . 0 . ? O3X O3X O . 0 . ? HOA2 HOA2 H . 0 . ? H51A H51A H . 0 . ? H52A H52A H . 0 . ? H4B H4B H . 0 . ? H3B H3B H . 0 . ? HO3A HO3A H . 0 . ? H2B H2B H . 0 . ? H1B H1B H . 0 . ? H8A H8A H . 0 . ? H61A H61A H . 0 . ? H62A H62A H . 0 . ? H2A H2A H . 0 . ? H51N H51N H . 0 . ? H52N H52N H . 0 . ? H4D H4D H . 0 . ? H3D H3D H . 0 . ? HO3N HO3N H . 0 . ? H2D H2D H . 0 . ? HO2N HO2N H . 0 . ? H1D H1D H . 0 . ? H2N H2N H . 0 . ? H71N H71N H . 0 . ? H72N H72N H . 0 . ? H4N H4N H . 0 . ? H5N H5N H . 0 . ? H6N H6N H . 0 . ? HOP2 HOP2 H . 0 . ? HOP3 HOP3 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB PA O1A ? ? SING PA O2A ? ? SING PA O5B ? ? SING PA O3 ? ? SING O2A HOA2 ? ? SING O5B C5B ? ? SING C5B C4B ? ? SING C5B H51A ? ? SING C5B H52A ? ? SING C4B O4B ? ? SING C4B C3B ? ? SING C4B H4B ? ? SING O4B C1B ? ? SING C3B O3B ? ? SING C3B C2B ? ? SING C3B H3B ? ? SING O3B HO3A ? ? SING C2B O2B ? ? SING C2B C1B ? ? SING C2B H2B ? ? SING O2B P2B ? ? SING C1B N9A ? ? SING C1B H1B ? ? SING N9A C8A ? ? SING N9A C4A ? ? DOUB C8A N7A ? ? SING C8A H8A ? ? SING N7A C5A ? ? SING C5A C6A ? ? DOUB C5A C4A ? ? SING C6A N6A ? ? DOUB C6A N1A ? ? SING N6A H61A ? ? SING N6A H62A ? ? SING N1A C2A ? ? DOUB C2A N3A ? ? SING C2A H2A ? ? SING N3A C4A ? ? SING O3 PN ? ? DOUB PN O1N ? ? SING PN O2N ? ? SING PN O5D ? ? SING O5D C5D ? ? SING C5D C4D ? ? SING C5D H51N ? ? SING C5D H52N ? ? SING C4D O4D ? ? SING C4D C3D ? ? SING C4D H4D ? ? SING O4D C1D ? ? SING C3D O3D ? ? SING C3D C2D ? ? SING C3D H3D ? ? SING O3D HO3N ? ? SING C2D O2D ? ? SING C2D C1D ? ? SING C2D H2D ? ? SING O2D HO2N ? ? SING C1D N1N ? ? SING C1D H1D ? ? SING N1N C2N ? ? DOUB N1N C6N ? ? DOUB C2N C3N ? ? SING C2N H2N ? ? SING C3N C7N ? ? SING C3N C4N ? ? DOUB C7N O7N ? ? SING C7N N7N ? ? SING N7N H71N ? ? SING N7N H72N ? ? DOUB C4N C5N ? ? SING C4N H4N ? ? SING C5N C6N ? ? SING C5N H5N ? ? SING C6N H6N ? ? DOUB P2B O1X ? ? SING P2B O2X ? ? SING P2B O3X ? ? SING O2X HOP2 ? ? SING O3X HOP3 ? ? 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 $BLVRB Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $BLVRB 'recombinant technology' . Escherichia coli . pET21 '37 degree growth' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_holo_1 _Saveframe_category sample _Sample_type solution _Details 'enzyme with NADP cofactor' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $BLVRB 500 uM '[U-100% 13C; U-100% 15N; U-80% 2H]' $entity_NAP 1 mM 'natural abundance' Bis-Tris 50 mM 'natural abundance' NaCl 50 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ save_holo_2 _Saveframe_category sample _Sample_type solution _Details 'enzyme with NADP cofactor' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $BLVRB 500 uM '[U-100% 13C; U-100% 15N; U-80% 2H]' $entity_NAP 1 mM 'natural abundance' Bis-Tris 50 mM 'natural abundance' NaCl 50 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNMR _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HN(CO)CA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $holo_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $holo_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $holo_1 save_ save_3D_HN(COCA)CB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $holo_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $holo_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '50mM Bis-Tris buffer' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 273 . 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 $CcpNMR stop_ loop_ _Experiment_label '3D HN(CO)CA' '3D HNCA' '3D HNCACB' '3D HN(COCA)CB' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $holo_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name BLVRB _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 H H 8.354 . . 2 1 1 MET CA C 54.844 . . 3 1 1 MET CB C 32.785 . . 4 1 1 MET N N 122.017 . . 5 2 2 ALA H H 8.333 . . 6 2 2 ALA CA C 51.739 . . 7 2 2 ALA CB C 18.713 . . 8 2 2 ALA N N 125.616 . . 9 3 3 VAL H H 8.336 . . 10 3 3 VAL CA C 62.478 . . 11 3 3 VAL CB C 32.403 . . 12 3 3 VAL N N 121.565 . . 13 4 4 LYS H H 9.164 . . 14 4 4 LYS CA C 57.031 . . 15 4 4 LYS CB C 35.562 . . 16 4 4 LYS N N 126.109 . . 17 5 5 LYS H H 8.856 . . 18 5 5 LYS CA C 55.089 . . 19 5 5 LYS CB C 32.720 . . 20 5 5 LYS N N 122.842 . . 21 6 6 ILE H H 8.243 . . 22 6 6 ILE CA C 57.795 . . 23 6 6 ILE CB C 41.676 . . 24 6 6 ILE N N 115.707 . . 25 7 7 ALA H H 7.682 . . 26 7 7 ALA CA C 48.311 . . 27 7 7 ALA CB C 21.433 . . 28 7 7 ALA N N 120.876 . . 29 8 8 ILE H H 8.296 . . 30 8 8 ILE CA C 60.178 . . 31 8 8 ILE CB C 40.767 . . 32 8 8 ILE N N 116.953 . . 33 9 9 PHE H H 8.902 . . 34 9 9 PHE CA C 57.349 . . 35 9 9 PHE CB C 40.437 . . 36 9 9 PHE N N 127.053 . . 37 10 10 GLY H H 9.936 . . 38 10 10 GLY CA C 45.700 . . 39 10 10 GLY N N 115.868 . . 40 11 11 ALA H H 8.862 . . 41 11 11 ALA CA C 53.681 . . 42 11 11 ALA CB C 19.874 . . 43 11 11 ALA N N 120.482 . . 44 12 12 THR H H 7.179 . . 45 12 12 THR CA C 60.452 . . 46 12 12 THR CB C 67.318 . . 47 12 12 THR CG2 C 24.117 . . 48 12 12 THR N N 131.325 . . 49 13 13 GLY H H 7.489 . . 50 13 13 GLY CA C 44.813 . . 51 13 13 GLY N N 113.081 . . 52 14 14 GLN H H 9.037 . . 53 14 14 GLN CA C 59.337 . . 54 14 14 GLN CB C 27.937 . . 55 14 14 GLN N N 117.870 . . 56 15 15 THR H H 9.257 . . 57 15 15 THR CA C 65.396 . . 58 15 15 THR CB C 67.136 . . 59 15 15 THR CG2 C 21.296 . . 60 15 15 THR N N 116.315 . . 61 16 16 GLY H H 9.660 . . 62 16 16 GLY CA C 48.272 . . 63 16 16 GLY N N 118.892 . . 64 17 17 LEU H H 8.342 . . 65 17 17 LEU CA C 58.415 . . 66 17 17 LEU CB C 42.353 . . 67 17 17 LEU N N 120.484 . . 68 18 18 THR H H 6.751 . . 69 18 18 THR CA C 61.310 . . 70 18 18 THR CB C 67.617 . . 71 18 18 THR N N 110.997 . . 72 19 19 THR H H 8.112 . . 73 19 19 THR CA C 68.455 . . 74 19 19 THR CB C 66.851 . . 75 19 19 THR N N 123.880 . . 76 20 20 LEU H H 9.163 . . 77 20 20 LEU CA C 58.320 . . 78 20 20 LEU CB C 41.209 . . 79 20 20 LEU N N 121.609 . . 80 21 21 ALA H H 7.537 . . 81 21 21 ALA CA C 55.486 . . 82 21 21 ALA CB C 17.711 . . 83 21 21 ALA N N 119.887 . . 84 22 22 GLN H H 8.511 . . 85 22 22 GLN CA C 59.139 . . 86 22 22 GLN CB C 30.464 . . 87 22 22 GLN N N 116.013 . . 88 23 23 ALA H H 9.023 . . 89 23 23 ALA CA C 54.686 . . 90 23 23 ALA CB C 18.740 . . 91 23 23 ALA N N 124.107 . . 92 24 24 VAL H H 8.379 . . 93 24 24 VAL CA C 66.031 . . 94 24 24 VAL CB C 31.554 . . 95 24 24 VAL N N 118.948 . . 96 25 25 GLN H H 8.192 . . 97 25 25 GLN CA C 58.435 . . 98 25 25 GLN CB C 27.952 . . 99 25 25 GLN CG C 33.749 . . 100 25 25 GLN N N 120.567 . . 101 26 26 ALA H H 7.731 . . 102 26 26 ALA CA C 52.217 . . 103 26 26 ALA CB C 18.582 . . 104 26 26 ALA N N 119.110 . . 105 27 27 GLY H H 7.684 . . 106 27 27 GLY CA C 44.657 . . 107 27 27 GLY N N 104.401 . . 108 28 28 TYR H H 7.629 . . 109 28 28 TYR CA C 59.215 . . 110 28 28 TYR CB C 37.805 . . 111 28 28 TYR N N 117.839 . . 112 29 29 GLU H H 8.997 . . 113 29 29 GLU CA C 55.036 . . 114 29 29 GLU CB C 29.284 . . 115 29 29 GLU N N 125.682 . . 116 30 30 VAL H H 9.352 . . 117 30 30 VAL CA C 62.500 . . 118 30 30 VAL CB C 33.313 . . 119 30 30 VAL CG1 C 21.956 . . 120 30 30 VAL N N 131.288 . . 121 31 31 THR H H 9.384 . . 122 31 31 THR CA C 61.088 . . 123 31 31 THR CB C 69.751 . . 124 31 31 THR CG2 C 20.492 . . 125 31 31 THR N N 125.933 . . 126 32 32 VAL H H 8.249 . . 127 32 32 VAL CA C 57.391 . . 128 32 32 VAL CB C 33.035 . . 129 32 32 VAL N N 115.570 . . 130 33 33 LEU H H 5.900 . . 131 33 33 LEU CA C 53.250 . . 132 33 33 LEU CB C 41.207 . . 133 33 33 LEU N N 121.484 . . 134 34 34 VAL H H 9.456 . . 135 34 34 VAL CA C 57.066 . . 136 34 34 VAL CB C 33.513 . . 137 34 34 VAL N N 123.565 . . 138 35 35 ARG H H 8.836 . . 139 35 35 ARG CA C 57.942 . . 140 35 35 ARG CB C 31.046 . . 141 35 35 ARG N N 122.069 . . 142 36 36 ASP H H 7.838 . . 143 36 36 ASP CA C 52.726 . . 144 36 36 ASP CB C 42.338 . . 145 36 36 ASP N N 115.618 . . 146 37 37 SER CA C 62.112 . . 147 38 38 SER H H 9.057 . . 148 38 38 SER CA C 60.535 . . 149 38 38 SER CB C 62.265 . . 150 38 38 SER N N 120.087 . . 151 39 39 ARG H H 7.297 . . 152 39 39 ARG CA C 56.684 . . 153 39 39 ARG CB C 29.532 . . 154 39 39 ARG N N 118.122 . . 155 40 40 LEU H H 7.213 . . 156 40 40 LEU CB C 40.013 . . 157 40 40 LEU N N 119.249 . . 158 41 41 PRO CA C 62.733 . . 159 41 41 PRO CB C 31.697 . . 160 41 41 PRO CG C 27.167 . . 161 42 42 SER H H 8.784 . . 162 42 42 SER CA C 59.099 . . 163 42 42 SER CB C 63.356 . . 164 42 42 SER N N 118.149 . . 165 43 43 GLU H H 7.900 . . 166 43 43 GLU CA C 54.785 . . 167 43 43 GLU CB C 31.024 . . 168 43 43 GLU CG C 35.183 . . 169 43 43 GLU N N 119.476 . . 170 44 44 GLY H H 8.223 . . 171 44 44 GLY CA C 43.736 . . 172 44 44 GLY N N 108.901 . . 173 45 45 PRO CA C 61.388 . . 174 45 45 PRO CB C 34.126 . . 175 46 46 ARG H H 8.855 . . 176 46 46 ARG CA C 52.811 . . 177 46 46 ARG CB C 29.441 . . 178 46 46 ARG N N 123.532 . . 179 47 47 PRO CA C 61.457 . . 180 47 47 PRO CB C 30.982 . . 181 48 48 ALA H H 7.671 . . 182 48 48 ALA CA C 53.974 . . 183 48 48 ALA CB C 19.048 . . 184 48 48 ALA N N 123.452 . . 185 49 49 HIS H H 7.943 . . 186 49 49 HIS CA C 53.124 . . 187 49 49 HIS CB C 30.895 . . 188 49 49 HIS N N 111.438 . . 189 50 50 VAL H H 9.010 . . 190 50 50 VAL CA C 61.479 . . 191 50 50 VAL CB C 33.766 . . 192 50 50 VAL N N 125.495 . . 193 51 51 VAL H H 9.031 . . 194 51 51 VAL CA C 61.230 . . 195 51 51 VAL CB C 32.315 . . 196 51 51 VAL N N 131.740 . . 197 52 52 VAL H H 8.552 . . 198 52 52 VAL CA C 60.128 . . 199 52 52 VAL CB C 31.010 . . 200 52 52 VAL N N 129.369 . . 201 53 53 GLY H H 8.826 . . 202 53 53 GLY CA C 46.032 . . 203 53 53 GLY N N 118.040 . . 204 54 54 ASP H H 9.374 . . 205 54 54 ASP CA C 52.362 . . 206 54 54 ASP CB C 46.328 . . 207 54 54 ASP N N 120.958 . . 208 55 55 VAL H H 9.909 . . 209 55 55 VAL HB H 9.919 . . 210 55 55 VAL CA C 62.407 . . 211 55 55 VAL CB C 31.807 . . 212 55 55 VAL CG1 C 22.503 . . 213 55 55 VAL CG2 C 19.106 . . 214 55 55 VAL N N 128.473 . . 215 56 56 LEU H H 9.361 . . 216 56 56 LEU CA C 54.535 . . 217 56 56 LEU CB C 40.001 . . 218 56 56 LEU N N 118.795 . . 219 57 57 GLN H H 8.086 . . 220 57 57 GLN CA C 53.341 . . 221 57 57 GLN CB C 27.713 . . 222 57 57 GLN N N 121.052 . . 223 58 58 ALA H H 9.102 . . 224 58 58 ALA CA C 56.208 . . 225 58 58 ALA CB C 17.807 . . 226 58 58 ALA N N 130.881 . . 227 59 59 ALA H H 9.020 . . 228 59 59 ALA CA C 54.838 . . 229 59 59 ALA CB C 18.024 . . 230 59 59 ALA N N 118.048 . . 231 60 60 ASP H H 7.179 . . 232 60 60 ASP CA C 56.558 . . 233 60 60 ASP CB C 39.504 . . 234 60 60 ASP N N 119.662 . . 235 61 61 VAL H H 7.600 . . 236 61 61 VAL CA C 67.019 . . 237 61 61 VAL CB C 31.079 . . 238 61 61 VAL N N 121.732 . . 239 62 62 ASP H H 8.801 . . 240 62 62 ASP CA C 59.129 . . 241 62 62 ASP CB C 42.064 . . 242 62 62 ASP N N 121.960 . . 243 63 63 LYS H H 7.277 . . 244 63 63 LYS CA C 58.099 . . 245 63 63 LYS CB C 32.348 . . 246 63 63 LYS N N 113.339 . . 247 64 64 THR H H 7.402 . . 248 64 64 THR CA C 65.625 . . 249 64 64 THR CB C 67.955 . . 250 64 64 THR CG2 C 21.143 . . 251 64 64 THR N N 116.107 . . 252 65 65 VAL H H 7.746 . . 253 65 65 VAL CA C 64.165 . . 254 65 65 VAL CB C 32.263 . . 255 65 65 VAL N N 118.038 . . 256 66 66 ALA H H 7.157 . . 257 66 66 ALA CA C 53.806 . . 258 66 66 ALA CB C 16.861 . . 259 66 66 ALA N N 120.669 . . 260 67 67 GLY H H 8.230 . . 261 67 67 GLY CA C 45.446 . . 262 67 67 GLY N N 109.799 . . 263 68 68 GLN H H 7.323 . . 264 68 68 GLN CA C 53.430 . . 265 68 68 GLN CB C 27.752 . . 266 68 68 GLN N N 115.003 . . 267 69 69 ASP H H 9.188 . . 268 69 69 ASP CA C 55.469 . . 269 69 69 ASP CB C 43.738 . . 270 69 69 ASP N N 116.060 . . 271 70 70 ALA H H 7.802 . . 272 70 70 ALA CA C 51.375 . . 273 70 70 ALA CB C 23.074 . . 274 70 70 ALA N N 117.017 . . 275 71 71 VAL H H 8.316 . . 276 71 71 VAL CA C 60.657 . . 277 71 71 VAL CB C 35.948 . . 278 71 71 VAL CG1 C 21.282 . . 279 71 71 VAL N N 117.167 . . 280 72 72 ILE H H 9.101 . . 281 72 72 ILE CA C 59.102 . . 282 72 72 ILE CB C 39.635 . . 283 72 72 ILE N N 125.657 . . 284 73 73 VAL H H 9.121 . . 285 73 73 VAL CA C 62.888 . . 286 73 73 VAL CB C 32.812 . . 287 73 73 VAL N N 127.259 . . 288 74 74 LEU H H 8.634 . . 289 74 74 LEU CA C 54.161 . . 290 74 74 LEU CB C 42.353 . . 291 74 74 LEU N N 132.539 . . 292 75 75 LEU H H 6.526 . . 293 75 75 LEU CA C 54.009 . . 294 75 75 LEU CB C 45.184 . . 295 75 75 LEU N N 116.478 . . 296 76 76 GLY H H 7.107 . . 297 76 76 GLY CA C 44.272 . . 298 76 76 GLY N N 107.205 . . 299 77 77 THR H H 8.493 . . 300 77 77 THR CA C 60.448 . . 301 77 77 THR CB C 68.550 . . 302 77 77 THR N N 107.991 . . 303 78 78 ARG H H 9.156 . . 304 78 78 ARG CA C 57.454 . . 305 78 78 ARG CB C 26.929 . . 306 78 78 ARG N N 123.774 . . 307 79 79 ASN CA C 53.232 . . 308 79 79 ASN CB C 37.457 . . 309 80 80 ASP H H 8.052 . . 310 80 80 ASP CA C 53.929 . . 311 80 80 ASP CB C 40.647 . . 312 80 80 ASP N N 120.811 . . 313 81 81 LEU H H 8.969 . . 314 81 81 LEU CA C 53.792 . . 315 81 81 LEU CB C 40.678 . . 316 81 81 LEU N N 129.548 . . 317 82 82 SER H H 8.348 . . 318 82 82 SER CA C 58.478 . . 319 82 82 SER CB C 61.445 . . 320 82 82 SER N N 119.413 . . 321 83 83 PRO CA C 63.918 . . 322 83 83 PRO CB C 30.903 . . 323 84 84 THR H H 7.825 . . 324 84 84 THR CA C 59.608 . . 325 84 84 THR CB C 68.869 . . 326 84 84 THR N N 117.685 . . 327 85 85 THR H H 8.048 . . 328 85 85 THR CA C 59.865 . . 329 85 85 THR CB C 68.592 . . 330 85 85 THR N N 112.877 . . 331 86 86 VAL H H 8.477 . . 332 86 86 VAL CA C 65.469 . . 333 86 86 VAL CB C 31.418 . . 334 86 86 VAL N N 121.877 . . 335 87 87 MET H H 7.619 . . 336 87 87 MET CA C 59.334 . . 337 87 87 MET CB C 31.081 . . 338 87 87 MET N N 116.121 . . 339 88 88 SER H H 8.776 . . 340 88 88 SER CA C 62.012 . . 341 88 88 SER CB C 60.771 . . 342 88 88 SER N N 117.395 . . 343 89 89 GLU H H 8.999 . . 344 89 89 GLU CA C 59.109 . . 345 89 89 GLU CB C 28.398 . . 346 89 89 GLU N N 124.152 . . 347 90 90 GLY H H 8.062 . . 348 90 90 GLY CA C 47.498 . . 349 90 90 GLY N N 108.181 . . 350 91 91 ALA H H 8.458 . . 351 91 91 ALA CA C 55.181 . . 352 91 91 ALA CB C 17.272 . . 353 91 91 ALA N N 122.328 . . 354 92 92 ARG H H 8.153 . . 355 92 92 ARG CA C 60.114 . . 356 92 92 ARG CB C 29.041 . . 357 92 92 ARG N N 119.023 . . 358 93 93 ASN H H 7.674 . . 359 93 93 ASN CA C 55.060 . . 360 93 93 ASN CB C 36.780 . . 361 93 93 ASN N N 118.316 . . 362 94 94 ILE H H 8.556 . . 363 94 94 ILE CA C 65.811 . . 364 94 94 ILE CB C 37.675 . . 365 94 94 ILE N N 124.351 . . 366 95 95 VAL H H 8.761 . . 367 95 95 VAL CA C 66.159 . . 368 95 95 VAL CB C 31.128 . . 369 95 95 VAL N N 119.460 . . 370 96 96 ALA H H 7.588 . . 371 96 96 ALA CA C 54.971 . . 372 96 96 ALA CB C 17.472 . . 373 96 96 ALA N N 120.479 . . 374 97 97 ALA H H 7.801 . . 375 97 97 ALA CA C 54.303 . . 376 97 97 ALA CB C 18.947 . . 377 97 97 ALA N N 120.509 . . 378 98 98 MET H H 8.903 . . 379 98 98 MET CA C 60.375 . . 380 98 98 MET CB C 31.886 . . 381 98 98 MET N N 119.576 . . 382 99 99 LYS H H 8.422 . . 383 99 99 LYS CA C 59.182 . . 384 99 99 LYS CB C 31.787 . . 385 99 99 LYS N N 117.578 . . 386 100 100 ALA H H 7.830 . . 387 100 100 ALA CA C 54.234 . . 388 100 100 ALA CB C 17.961 . . 389 100 100 ALA N N 120.789 . . 390 101 101 HIS H H 7.647 . . 391 101 101 HIS CA C 55.631 . . 392 101 101 HIS CB C 30.032 . . 393 101 101 HIS N N 111.746 . . 394 102 102 GLY H H 7.657 . . 395 102 102 GLY CA C 47.073 . . 396 102 102 GLY N N 111.041 . . 397 103 103 VAL H H 8.469 . . 398 103 103 VAL CA C 61.398 . . 399 103 103 VAL CB C 31.851 . . 400 103 103 VAL N N 122.363 . . 401 104 104 ASP H H 8.682 . . 402 104 104 ASP CA C 54.461 . . 403 104 104 ASP CB C 42.854 . . 404 104 104 ASP N N 125.271 . . 405 105 105 LYS H H 6.735 . . 406 105 105 LYS CA C 54.579 . . 407 105 105 LYS CB C 34.187 . . 408 105 105 LYS N N 118.876 . . 409 106 106 VAL H H 9.304 . . 410 106 106 VAL CA C 57.141 . . 411 106 106 VAL CB C 33.647 . . 412 106 106 VAL N N 126.283 . . 413 107 107 VAL H H 8.701 . . 414 107 107 VAL CA C 60.277 . . 415 107 107 VAL CB C 32.767 . . 416 107 107 VAL N N 129.259 . . 417 108 108 ALA H H 8.605 . . 418 108 108 ALA CA C 49.861 . . 419 108 108 ALA CB C 23.948 . . 420 108 108 ALA N N 125.183 . . 421 109 109 CYS H H 8.361 . . 422 109 109 CYS CA C 57.810 . . 423 109 109 CYS CB C 29.853 . . 424 109 109 CYS N N 126.101 . . 425 110 110 THR H H 8.987 . . 426 110 110 THR CA C 60.349 . . 427 110 110 THR CB C 68.105 . . 428 110 110 THR N N 118.852 . . 429 111 111 SER H H 7.950 . . 430 111 111 SER CA C 56.886 . . 431 111 111 SER CB C 65.798 . . 432 111 111 SER N N 113.347 . . 433 112 112 ALA H H 8.239 . . 434 112 112 ALA CA C 54.066 . . 435 112 112 ALA CB C 18.797 . . 436 112 112 ALA N N 125.360 . . 437 113 113 PHE H H 7.744 . . 438 113 113 PHE CA C 59.731 . . 439 113 113 PHE N N 114.390 . . 440 114 114 LEU H H 7.604 . . 441 114 114 LEU CA C 58.987 . . 442 114 114 LEU N N 121.760 . . 443 115 115 LEU H H 7.935 . . 444 115 115 LEU CA C 54.291 . . 445 115 115 LEU CB C 41.985 . . 446 115 115 LEU N N 118.984 . . 447 116 116 TRP H H 7.410 . . 448 116 116 TRP CA C 56.034 . . 449 116 116 TRP CB C 30.082 . . 450 116 116 TRP N N 121.401 . . 451 117 117 ASP H H 7.965 . . 452 117 117 ASP CB C 41.044 . . 453 117 117 ASP N N 120.341 . . 454 118 118 PRO CA C 64.535 . . 455 119 119 THR H H 8.503 . . 456 119 119 THR CA C 63.256 . . 457 119 119 THR CB C 69.195 . . 458 119 119 THR N N 108.565 . . 459 120 120 LYS H H 8.195 . . 460 120 120 LYS CA C 54.737 . . 461 120 120 LYS CB C 32.273 . . 462 120 120 LYS N N 120.443 . . 463 121 121 VAL H H 7.080 . . 464 121 121 VAL CA C 60.805 . . 465 121 121 VAL CB C 32.209 . . 466 121 121 VAL N N 122.588 . . 467 123 123 PRO CA C 65.426 . . 468 123 123 PRO CB C 31.622 . . 469 124 124 ARG H H 8.722 . . 470 124 124 ARG CA C 57.813 . . 471 124 124 ARG CB C 28.770 . . 472 124 124 ARG CG C 26.514 . . 473 124 124 ARG N N 115.539 . . 474 125 125 LEU H H 7.833 . . 475 125 125 LEU CA C 53.290 . . 476 125 125 LEU CB C 41.909 . . 477 125 125 LEU N N 116.981 . . 478 126 126 GLN H H 7.706 . . 479 126 126 GLN CA C 59.066 . . 480 126 126 GLN CB C 28.471 . . 481 126 126 GLN CG C 33.324 . . 482 126 126 GLN N N 125.251 . . 483 127 127 ALA H H 8.488 . . 484 127 127 ALA CA C 55.159 . . 485 127 127 ALA CB C 16.866 . . 486 127 127 ALA N N 123.027 . . 487 128 128 VAL H H 8.471 . . 488 128 128 VAL CA C 65.993 . . 489 128 128 VAL CB C 31.218 . . 490 128 128 VAL N N 119.247 . . 491 129 129 THR H H 7.699 . . 492 129 129 THR N N 117.724 . . 493 130 130 ASP H H 9.087 . . 494 130 130 ASP CA C 57.335 . . 495 130 130 ASP CB C 39.299 . . 496 130 130 ASP N N 121.844 . . 497 131 131 ASP H H 7.339 . . 498 131 131 ASP CA C 57.025 . . 499 131 131 ASP CB C 41.843 . . 500 131 131 ASP N N 120.171 . . 501 132 132 HIS H H 8.466 . . 502 132 132 HIS CA C 59.912 . . 503 132 132 HIS CB C 32.473 . . 504 132 132 HIS N N 121.547 . . 505 133 133 ILE H H 8.910 . . 506 133 133 ILE CA C 66.273 . . 507 133 133 ILE CB C 35.980 . . 508 133 133 ILE N N 120.600 . . 509 134 134 ARG H H 7.754 . . 510 134 134 ARG CA C 60.220 . . 511 134 134 ARG CB C 32.490 . . 512 134 134 ARG N N 119.286 . . 513 135 135 MET H H 8.954 . . 514 135 135 MET CA C 59.571 . . 515 135 135 MET CB C 32.382 . . 516 135 135 MET N N 121.242 . . 517 136 136 HIS H H 8.838 . . 518 136 136 HIS CA C 58.991 . . 519 136 136 HIS CB C 31.773 . . 520 136 136 HIS N N 119.469 . . 521 137 137 LYS H H 7.975 . . 522 137 137 LYS CA C 59.966 . . 523 137 137 LYS CB C 31.941 . . 524 137 137 LYS N N 118.509 . . 525 138 138 VAL H H 7.508 . . 526 138 138 VAL CA C 65.280 . . 527 138 138 VAL CB C 31.313 . . 528 138 138 VAL CG1 C 20.037 . . 529 138 138 VAL N N 117.767 . . 530 139 139 LEU H H 7.666 . . 531 139 139 LEU CA C 57.656 . . 532 139 139 LEU CB C 38.707 . . 533 139 139 LEU N N 118.834 . . 534 140 140 ARG H H 9.184 . . 535 140 140 ARG CA C 58.959 . . 536 140 140 ARG CB C 29.141 . . 537 140 140 ARG N N 124.246 . . 538 141 141 GLU H H 7.992 . . 539 141 141 GLU CA C 56.630 . . 540 141 141 GLU CB C 28.567 . . 541 141 141 GLU CG C 36.372 . . 542 141 141 GLU N N 116.055 . . 543 142 142 SER H H 7.234 . . 544 142 142 SER CA C 60.803 . . 545 142 142 SER CB C 65.002 . . 546 142 142 SER N N 113.440 . . 547 143 143 GLY H H 7.698 . . 548 143 143 GLY CA C 45.441 . . 549 143 143 GLY N N 110.335 . . 550 144 144 LEU H H 7.749 . . 551 144 144 LEU CA C 53.762 . . 552 144 144 LEU CB C 41.324 . . 553 144 144 LEU N N 121.071 . . 554 145 145 LYS H H 8.460 . . 555 145 145 LYS CA C 56.806 . . 556 145 145 LYS CB C 30.030 . . 557 145 145 LYS N N 121.879 . . 558 146 146 TYR H H 8.164 . . 559 146 146 TYR CA C 52.660 . . 560 146 146 TYR CB C 39.901 . . 561 146 146 TYR N N 126.974 . . 562 147 147 VAL H H 8.743 . . 563 147 147 VAL CA C 61.807 . . 564 147 147 VAL CB C 32.444 . . 565 147 147 VAL N N 131.945 . . 566 148 148 ALA H H 7.236 . . 567 148 148 ALA CA C 50.721 . . 568 148 148 ALA CB C 19.168 . . 569 148 148 ALA N N 130.302 . . 570 149 149 VAL H H 8.347 . . 571 149 149 VAL CA C 62.306 . . 572 149 149 VAL CB C 31.234 . . 573 149 149 VAL N N 128.009 . . 574 150 150 MET H H 8.939 . . 575 150 150 MET CB C 31.421 . . 576 150 150 MET N N 129.160 . . 577 152 152 PRO CA C 61.509 . . 578 153 153 HIS H H 7.259 . . 579 153 153 HIS CA C 57.930 . . 580 153 153 HIS CB C 29.734 . . 581 153 153 HIS N N 114.571 . . 582 154 154 ILE H H 7.511 . . 583 154 154 ILE CA C 59.590 . . 584 154 154 ILE CB C 37.846 . . 585 154 154 ILE N N 123.436 . . 586 155 155 GLY H H 8.543 . . 587 155 155 GLY CA C 42.990 . . 588 155 155 GLY N N 114.034 . . 589 156 156 ASP H H 8.044 . . 590 156 156 ASP CA C 52.654 . . 591 156 156 ASP CB C 40.515 . . 592 156 156 ASP N N 117.966 . . 593 157 157 GLN H H 8.742 . . 594 157 157 GLN CA C 56.285 . . 595 157 157 GLN CB C 25.064 . . 596 157 157 GLN N N 121.466 . . 597 158 158 PRO CA C 63.093 . . 598 158 158 PRO CB C 31.832 . . 599 159 159 LEU H H 7.840 . . 600 159 159 LEU CA C 56.344 . . 601 159 159 LEU CB C 42.415 . . 602 159 159 LEU N N 119.492 . . 603 160 160 THR H H 10.148 . . 604 160 160 THR CA C 62.097 . . 605 160 160 THR CB C 71.365 . . 606 160 160 THR N N 119.365 . . 607 161 161 GLY H H 9.045 . . 608 161 161 GLY CA C 45.665 . . 609 161 161 GLY N N 112.545 . . 610 162 162 ALA H H 8.010 . . 611 162 162 ALA CA C 51.346 . . 612 162 162 ALA CB C 18.955 . . 613 162 162 ALA N N 122.860 . . 614 163 163 TYR H H 5.858 . . 615 163 163 TYR CA C 53.897 . . 616 163 163 TYR CB C 38.917 . . 617 163 163 TYR N N 113.334 . . 618 164 164 THR H H 8.926 . . 619 164 164 THR CA C 61.543 . . 620 164 164 THR CB C 70.586 . . 621 164 164 THR N N 115.428 . . 622 165 165 VAL H H 8.831 . . 623 165 165 VAL CA C 61.786 . . 624 165 165 VAL CB C 32.991 . . 625 165 165 VAL N N 125.492 . . 626 169 169 GLY H H 7.313 . . 627 169 169 GLY CA C 44.853 . . 628 169 169 GLY N N 102.954 . . 629 170 170 ARG H H 8.081 . . 630 170 170 ARG CB C 30.348 . . 631 170 170 ARG N N 116.524 . . 632 175 175 VAL CA C 60.273 . . 633 176 176 ILE H H 8.594 . . 634 176 176 ILE CA C 55.273 . . 635 176 176 ILE CB C 41.816 . . 636 176 176 ILE N N 121.555 . . 637 177 177 SER H H 9.206 . . 638 177 177 SER CA C 57.253 . . 639 177 177 SER CB C 63.933 . . 640 177 177 SER N N 121.631 . . 641 178 178 LYS H H 9.176 . . 642 178 178 LYS CA C 58.759 . . 643 178 178 LYS CB C 30.725 . . 644 178 178 LYS N N 124.962 . . 645 179 179 HIS H H 7.237 . . 646 179 179 HIS CA C 58.003 . . 647 179 179 HIS CB C 30.983 . . 648 179 179 HIS N N 117.544 . . 649 180 180 ASP H H 7.167 . . 650 180 180 ASP CA C 56.553 . . 651 180 180 ASP CB C 41.023 . . 652 180 180 ASP N N 120.674 . . 653 181 181 LEU H H 8.728 . . 654 181 181 LEU CA C 57.152 . . 655 181 181 LEU CB C 40.296 . . 656 181 181 LEU N N 121.526 . . 657 182 182 GLY H H 8.112 . . 658 182 182 GLY CA C 48.500 . . 659 182 182 GLY N N 106.508 . . 660 183 183 HIS H H 8.027 . . 661 183 183 HIS CA C 60.970 . . 662 183 183 HIS CB C 30.708 . . 663 183 183 HIS N N 121.899 . . 664 184 184 PHE H H 8.720 . . 665 184 184 PHE CA C 61.349 . . 666 184 184 PHE CB C 37.671 . . 667 184 184 PHE N N 121.616 . . 668 185 185 MET H H 8.446 . . 669 185 185 MET CA C 58.799 . . 670 185 185 MET CB C 30.506 . . 671 185 185 MET N N 118.166 . . 672 186 186 LEU H H 7.394 . . 673 186 186 LEU CA C 56.447 . . 674 186 186 LEU CB C 40.181 . . 675 186 186 LEU N N 113.096 . . 676 187 187 ARG H H 8.278 . . 677 187 187 ARG CA C 58.682 . . 678 187 187 ARG CB C 29.382 . . 679 187 187 ARG N N 125.583 . . 680 188 188 CYS H H 7.568 . . 681 188 188 CYS CA C 63.377 . . 682 188 188 CYS CB C 31.108 . . 683 188 188 CYS N N 116.404 . . 684 189 189 LEU H H 7.610 . . 685 189 189 LEU CA C 55.446 . . 686 189 189 LEU CB C 41.285 . . 687 189 189 LEU N N 114.119 . . 688 190 190 THR H H 7.721 . . 689 190 190 THR CA C 61.094 . . 690 190 190 THR CB C 69.610 . . 691 190 190 THR CG2 C 21.267 . . 692 190 190 THR N N 106.468 . . 693 191 191 THR H H 7.220 . . 694 191 191 THR CA C 57.906 . . 695 191 191 THR CB C 69.176 . . 696 191 191 THR N N 114.818 . . 697 192 192 ASP H H 8.317 . . 698 192 192 ASP CA C 53.002 . . 699 192 192 ASP CB C 41.009 . . 700 192 192 ASP N N 125.258 . . 701 193 193 GLU H H 8.356 . . 702 193 193 GLU CA C 58.755 . . 703 193 193 GLU CB C 29.649 . . 704 193 193 GLU N N 121.979 . . 705 194 194 TYR H H 8.279 . . 706 194 194 TYR CA C 55.616 . . 707 194 194 TYR CB C 38.485 . . 708 194 194 TYR N N 116.253 . . 709 195 195 ASP H H 7.446 . . 710 195 195 ASP CA C 55.807 . . 711 195 195 ASP CB C 38.452 . . 712 195 195 ASP N N 123.141 . . 713 196 196 GLY H H 8.634 . . 714 196 196 GLY CA C 45.681 . . 715 196 196 GLY N N 111.085 . . 716 197 197 HIS H H 8.317 . . 717 197 197 HIS CA C 54.304 . . 718 197 197 HIS CB C 30.812 . . 719 197 197 HIS N N 116.357 . . 720 198 198 SER H H 8.816 . . 721 198 198 SER CA C 57.068 . . 722 198 198 SER CB C 64.836 . . 723 198 198 SER N N 116.697 . . 724 204 204 GLN CA C 54.012 . . 725 204 204 GLN CB C 29.003 . . 726 204 204 GLN CG C 32.946 . . 727 205 205 TYR H H 8.393 . . 728 205 205 TYR CA C 58.608 . . 729 205 205 TYR CB C 38.811 . . 730 205 205 TYR N N 123.688 . . 731 206 206 GLN H H 8.147 . . 732 206 206 GLN CA C 57.089 . . 733 206 206 GLN CB C 29.805 . . 734 206 206 GLN N N 125.842 . . stop_ save_