data_27976 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Mouse Lemur Biliverdin B bound to NADP ; _BMRB_accession_number 27976 _BMRB_flat_file_name bmr27976.str _Entry_type original _Submission_date 2019-07-16 _Accession_date 2019-07-16 _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 Eisenmesser Elan . . 2 Redzic Jasmina . . 3 Paukovich Natasia . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 178 "13C chemical shifts" 331 "15N chemical shifts" 178 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-09-28 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 27975 'Mouse Lemur BLVRB monomer' stop_ _Original_release_date 2019-07-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure, dynamics and function of the evolutionarily changing biliverdin reductase B family ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32246827 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Duff Michael R. . 2 Redzic Jasmina S. . 3 Ryan Lucas P. . 4 Paukovich Natasia . . 5 Zhao Rui . . 6 Nix Jay C. . 7 Pitts Todd M. . 8 Agarwal Pratul . . 9 Eisenmesser 'Elan Zohar' Z. . stop_ _Journal_abbreviation 'J. Biochem.' _Journal_name_full 'Journal of biochemistry' _Journal_volume 168 _Journal_issue 2 _Journal_ISSN 1756-2651 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 191 _Page_last 202 _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Mouse Lemur BLVRB monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Mouse Lemur BLVRB monomer' $Mouse_Lemur_BLVRB ligand $entity_NAP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Mouse_Lemur_BLVRB _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Mouse_Lemur_BLVRB _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 220 _Mol_residue_sequence ; MGHHHHHHLVPRGSMAVKKI VIFGATGRTGLTTLAQAVQA GYEVTVLVRDSSRLPSEGPR PARVIVGDVRHAADVDKAVA GQDAVVVLLGTGNDLSPTTV MSEGARNIVAAMKAHGVDKV VACTSAFLLWDPAKVPPRLQ DVTDDHIRMHKVLQESGLKY VAVMPPHIGDQPLTGAYSVT LDGRGPSRVISKHDLGHFML HCLTTAEYDGHSTYPSHQYD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -13 MET 2 -12 GLY 3 -11 HIS 4 -10 HIS 5 -9 HIS 6 -8 HIS 7 -7 HIS 8 -6 HIS 9 -5 LEU 10 -4 VAL 11 -3 PRO 12 -2 ARG 13 -1 GLY 14 0 SER 15 1 MET 16 2 ALA 17 3 VAL 18 4 LYS 19 5 LYS 20 6 ILE 21 7 VAL 22 8 ILE 23 9 PHE 24 10 GLY 25 11 ALA 26 12 THR 27 13 GLY 28 14 ARG 29 15 THR 30 16 GLY 31 17 LEU 32 18 THR 33 19 THR 34 20 LEU 35 21 ALA 36 22 GLN 37 23 ALA 38 24 VAL 39 25 GLN 40 26 ALA 41 27 GLY 42 28 TYR 43 29 GLU 44 30 VAL 45 31 THR 46 32 VAL 47 33 LEU 48 34 VAL 49 35 ARG 50 36 ASP 51 37 SER 52 38 SER 53 39 ARG 54 40 LEU 55 41 PRO 56 42 SER 57 43 GLU 58 44 GLY 59 45 PRO 60 46 ARG 61 47 PRO 62 48 ALA 63 49 ARG 64 50 VAL 65 51 ILE 66 52 VAL 67 53 GLY 68 54 ASP 69 55 VAL 70 56 ARG 71 57 HIS 72 58 ALA 73 59 ALA 74 60 ASP 75 61 VAL 76 62 ASP 77 63 LYS 78 64 ALA 79 65 VAL 80 66 ALA 81 67 GLY 82 68 GLN 83 69 ASP 84 70 ALA 85 71 VAL 86 72 VAL 87 73 VAL 88 74 LEU 89 75 LEU 90 76 GLY 91 77 THR 92 78 GLY 93 79 ASN 94 80 ASP 95 81 LEU 96 82 SER 97 83 PRO 98 84 THR 99 85 THR 100 86 VAL 101 87 MET 102 88 SER 103 89 GLU 104 90 GLY 105 91 ALA 106 92 ARG 107 93 ASN 108 94 ILE 109 95 VAL 110 96 ALA 111 97 ALA 112 98 MET 113 99 LYS 114 100 ALA 115 101 HIS 116 102 GLY 117 103 VAL 118 104 ASP 119 105 LYS 120 106 VAL 121 107 VAL 122 108 ALA 123 109 CYS 124 110 THR 125 111 SER 126 112 ALA 127 113 PHE 128 114 LEU 129 115 LEU 130 116 TRP 131 117 ASP 132 118 PRO 133 119 ALA 134 120 LYS 135 121 VAL 136 122 PRO 137 123 PRO 138 124 ARG 139 125 LEU 140 126 GLN 141 127 ASP 142 128 VAL 143 129 THR 144 130 ASP 145 131 ASP 146 132 HIS 147 133 ILE 148 134 ARG 149 135 MET 150 136 HIS 151 137 LYS 152 138 VAL 153 139 LEU 154 140 GLN 155 141 GLU 156 142 SER 157 143 GLY 158 144 LEU 159 145 LYS 160 146 TYR 161 147 VAL 162 148 ALA 163 149 VAL 164 150 MET 165 151 PRO 166 152 PRO 167 153 HIS 168 154 ILE 169 155 GLY 170 156 ASP 171 157 GLN 172 158 PRO 173 159 LEU 174 160 THR 175 161 GLY 176 162 ALA 177 163 TYR 178 164 SER 179 165 VAL 180 166 THR 181 167 LEU 182 168 ASP 183 169 GLY 184 170 ARG 185 171 GLY 186 172 PRO 187 173 SER 188 174 ARG 189 175 VAL 190 176 ILE 191 177 SER 192 178 LYS 193 179 HIS 194 180 ASP 195 181 LEU 196 182 GLY 197 183 HIS 198 184 PHE 199 185 MET 200 186 LEU 201 187 HIS 202 188 CYS 203 189 LEU 204 190 THR 205 191 THR 206 192 ALA 207 193 GLU 208 194 TYR 209 195 ASP 210 196 GLY 211 197 HIS 212 198 SER 213 199 THR 214 200 TYR 215 201 PRO 216 202 SER 217 203 HIS 218 204 GLN 219 205 TYR 220 206 ASP 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 '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 $Mouse_Lemur_BLVRB 'gray mouse lemur' 30608 Eukaryota Metazoa Microcebus murinus 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 $Mouse_Lemur_BLVRB 'recombinant technology' . Escherichia coli . pET21 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 $Mouse_Lemur_BLVRB 0.5 mM '[U-13C; U-15N; U-2H]' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection 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 DRX _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _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' 0.05 . M pH 6.5 . pH pressure 1 . atm temperature 20 . 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 glucose C 13 'methyl carbons' ppm 0 internal indirect . . . .251 water H 1 protons ppm 0 internal indirect . . . 1.00 'ammonium sulfate' N 15 nitrogen ppm 0 internal indirect . . . .101 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' 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 'Mouse Lemur BLVRB monomer' _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 15 MET H H 8.5125 . . 2 1 15 MET CA C 55.3272 . . 3 1 15 MET CB C 32.4195 . . 4 1 15 MET N N 122.0891 . . 5 2 16 ALA H H 8.2052 . . 6 2 16 ALA CA C 52.1368 . . 7 2 16 ALA CB C 18.8912 . . 8 2 16 ALA N N 125.5762 . . 9 3 17 VAL H H 8.2553 . . 10 3 17 VAL CA C 62.8618 . . 11 3 17 VAL CB C 31.9896 . . 12 3 17 VAL N N 121.7172 . . 13 4 18 LYS H H 9.0724 . . 14 4 18 LYS CA C 56.9786 . . 15 4 18 LYS CB C 35.7647 . . 16 4 18 LYS N N 127.1813 . . 17 5 19 LYS H H 8.9562 . . 18 5 19 LYS CA C 55.2970 . . 19 5 19 LYS CB C 32.5168 . . 20 5 19 LYS N N 123.2100 . . 21 6 20 ILE H H 8.2152 . . 22 6 20 ILE CA C 57.8930 . . 23 6 20 ILE CB C 41.7836 . . 24 6 20 ILE N N 115.8301 . . 25 7 21 VAL H H 7.5469 . . 26 7 21 VAL CA C 55.4469 . . 27 7 21 VAL CB C 33.5297 . . 28 7 21 VAL N N 117.5763 . . 29 8 22 ILE H H 8.0643 . . 30 8 22 ILE CA C 59.2950 . . 31 8 22 ILE CB C 40.7511 . . 32 8 22 ILE N N 123.5025 . . 33 9 23 PHE H H 8.9793 . . 34 9 23 PHE CA C 57.7232 . . 35 9 23 PHE CB C 40.5892 . . 36 9 23 PHE N N 126.8621 . . 37 10 24 GLY H H 9.8888 . . 38 10 24 GLY CA C 45.9108 . . 39 10 24 GLY N N 115.7438 . . 40 11 25 ALA H H 8.9935 . . 41 11 25 ALA CA C 53.8033 . . 42 11 25 ALA CB C 20.0583 . . 43 11 25 ALA N N 120.5727 . . 44 12 26 THR H H 6.9320 . . 45 12 26 THR CA C 61.1531 . . 46 12 26 THR N N 130.0943 . . 47 13 27 GLY H H 7.4628 . . 48 13 27 GLY N N 108.3073 . . 49 14 28 ARG CA C 60.0285 . . 50 15 29 THR H H 9.2513 . . 51 15 29 THR CA C 65.0905 . . 52 15 29 THR CB C 66.3527 . . 53 15 29 THR N N 116.2943 . . 54 16 30 GLY H H 9.4727 . . 55 16 30 GLY CA C 48.3905 . . 56 16 30 GLY N N 118.5348 . . 57 17 31 LEU H H 8.3875 . . 58 17 31 LEU CA C 58.3989 . . 59 17 31 LEU CB C 42.3952 . . 60 17 31 LEU N N 121.0608 . . 61 18 32 THR H H 6.6306 . . 62 18 32 THR CA C 61.4090 . . 63 18 32 THR CB C 67.5542 . . 64 18 32 THR N N 111.3184 . . 65 19 33 THR H H 8.0802 . . 66 19 33 THR CA C 68.1725 . . 67 19 33 THR CB C 66.7225 . . 68 19 33 THR N N 124.0449 . . 69 20 34 LEU H H 9.0574 . . 70 20 34 LEU CA C 58.3748 . . 71 20 34 LEU CB C 40.9858 . . 72 20 34 LEU N N 122.0453 . . 73 21 35 ALA H H 7.5161 . . 74 21 35 ALA CA C 55.4692 . . 75 21 35 ALA CB C 17.9382 . . 76 21 35 ALA N N 120.2647 . . 77 22 36 GLN H H 8.5573 . . 78 22 36 GLN CA C 59.1470 . . 79 22 36 GLN CB C 30.5296 . . 80 22 36 GLN N N 116.3731 . . 81 23 37 ALA H H 8.9579 . . 82 23 37 ALA CA C 54.7376 . . 83 23 37 ALA CB C 18.9295 . . 84 23 37 ALA N N 124.1718 . . 85 24 38 VAL H H 8.3339 . . 86 24 38 VAL CA C 65.9565 . . 87 24 38 VAL CB C 31.8103 . . 88 24 38 VAL N N 118.9812 . . 89 25 39 GLN H H 8.1198 . . 90 25 39 GLN CA C 58.4955 . . 91 25 39 GLN CB C 28.1254 . . 92 25 39 GLN N N 120.6877 . . 93 26 40 ALA H H 7.7606 . . 94 26 40 ALA CA C 52.4546 . . 95 26 40 ALA CB C 18.6726 . . 96 26 40 ALA N N 119.4079 . . 97 27 41 GLY H H 7.5947 . . 98 27 41 GLY CA C 45.0277 . . 99 27 41 GLY N N 104.4890 . . 100 28 42 TYR H H 7.6226 . . 101 28 42 TYR CA C 59.3151 . . 102 28 42 TYR CB C 38.1564 . . 103 28 42 TYR N N 118.1025 . . 104 29 43 GLU H H 8.9740 . . 105 29 43 GLU CA C 55.3088 . . 106 29 43 GLU CB C 29.6081 . . 107 29 43 GLU N N 125.3007 . . 108 30 44 VAL H H 9.4287 . . 109 30 44 VAL CA C 62.7096 . . 110 30 44 VAL CB C 33.2949 . . 111 30 44 VAL N N 130.7918 . . 112 31 45 THR H H 9.3794 . . 113 31 45 THR CA C 61.1957 . . 114 31 45 THR CB C 69.6035 . . 115 31 45 THR N N 126.6155 . . 116 32 46 VAL H H 8.3500 . . 117 32 46 VAL CA C 57.9347 . . 118 32 46 VAL CB C 33.3603 . . 119 32 46 VAL N N 115.6319 . . 120 33 47 LEU H H 5.9393 . . 121 33 47 LEU CA C 53.1430 . . 122 33 47 LEU CB C 43.0099 . . 123 33 47 LEU N N 122.1902 . . 124 34 48 VAL H H 9.4679 . . 125 34 48 VAL CA C 57.2771 . . 126 34 48 VAL CB C 33.7055 . . 127 34 48 VAL N N 123.8722 . . 128 35 49 ARG H H 8.6566 . . 129 35 49 ARG CA C 58.0305 . . 130 35 49 ARG CB C 31.2805 . . 131 35 49 ARG N N 121.1115 . . 132 36 50 ASP H H 7.5080 . . 133 36 50 ASP CA C 52.3479 . . 134 36 50 ASP N N 114.8209 . . 135 37 51 SER H H 9.2060 . . 136 37 51 SER CA C 60.5547 . . 137 37 51 SER N N 120.2949 . . 138 38 52 SER H H 9.0347 . . 139 38 52 SER CA C 60.6245 . . 140 38 52 SER N N 119.8194 . . 141 39 53 ARG H H 7.3359 . . 142 39 53 ARG CA C 56.6392 . . 143 39 53 ARG N N 119.1607 . . 144 40 54 LEU H H 7.1016 . . 145 40 54 LEU CA C 52.1851 . . 146 40 54 LEU CB C 40.3922 . . 147 40 54 LEU N N 120.4267 . . 148 41 55 PRO CA C 62.6824 . . 149 41 55 PRO CB C 31.8686 . . 150 42 56 SER H H 8.7642 . . 151 42 56 SER CA C 59.3757 . . 152 42 56 SER CB C 63.2798 . . 153 42 56 SER N N 118.7470 . . 154 43 57 GLU H H 7.9306 . . 155 43 57 GLU CA C 54.9887 . . 156 43 57 GLU CB C 30.8978 . . 157 43 57 GLU N N 119.7920 . . 158 44 58 GLY H H 8.1342 . . 159 44 58 GLY CA C 43.9803 . . 160 44 58 GLY N N 109.1173 . . 161 45 59 PRO CA C 61.5537 . . 162 45 59 PRO CB C 34.2997 . . 163 46 60 ARG H H 8.8247 . . 164 46 60 ARG CA C 53.1675 . . 165 46 60 ARG CB C 29.6994 . . 166 46 60 ARG N N 123.6975 . . 167 47 61 PRO CA C 61.4797 . . 168 47 61 PRO CB C 31.2157 . . 169 48 62 ALA H H 8.2075 . . 170 48 62 ALA CA C 54.2195 . . 171 48 62 ALA CB C 18.8507 . . 172 48 62 ALA N N 124.5118 . . 173 49 63 ARG H H 7.6667 . . 174 49 63 ARG CA C 55.5064 . . 175 49 63 ARG CB C 33.4479 . . 176 49 63 ARG N N 114.9973 . . 177 50 64 VAL H H 8.7392 . . 178 50 64 VAL CA C 61.2322 . . 179 50 64 VAL CB C 33.3980 . . 180 50 64 VAL N N 125.9430 . . 181 51 65 ILE H H 8.7703 . . 182 51 65 ILE CA C 59.3446 . . 183 51 65 ILE CB C 39.4590 . . 184 51 65 ILE N N 130.3650 . . 185 52 66 VAL H H 8.6530 . . 186 52 66 VAL CA C 60.2428 . . 187 52 66 VAL CB C 31.3458 . . 188 52 66 VAL N N 130.0455 . . 189 53 67 GLY H H 8.8496 . . 190 53 67 GLY CA C 46.2861 . . 191 53 67 GLY N N 117.2244 . . 192 54 68 ASP H H 9.1987 . . 193 54 68 ASP CA C 52.1698 . . 194 54 68 ASP CB C 45.2965 . . 195 54 68 ASP N N 120.8436 . . 196 55 69 VAL H H 9.6863 . . 197 55 69 VAL CA C 62.6898 . . 198 55 69 VAL CB C 31.4258 . . 199 55 69 VAL N N 126.3340 . . 200 56 70 ARG H H 9.3177 . . 201 56 70 ARG CA C 57.0162 . . 202 56 70 ARG CB C 29.2542 . . 203 56 70 ARG N N 118.6761 . . 204 57 71 HIS H H 8.2202 . . 205 57 71 HIS CA C 52.8932 . . 206 57 71 HIS CB C 29.0573 . . 207 57 71 HIS N N 121.2301 . . 208 58 72 ALA H H 9.2043 . . 209 58 72 ALA CA C 56.4360 . . 210 58 72 ALA CB C 17.9147 . . 211 58 72 ALA N N 131.5226 . . 212 59 73 ALA H H 8.6224 . . 213 59 73 ALA CA C 54.7575 . . 214 59 73 ALA CB C 18.2568 . . 215 59 73 ALA N N 117.8336 . . 216 60 74 ASP H H 7.1733 . . 217 60 74 ASP CA C 56.8737 . . 218 60 74 ASP CB C 40.0784 . . 219 60 74 ASP N N 119.5048 . . 220 61 75 VAL H H 7.2633 . . 221 61 75 VAL CA C 66.5060 . . 222 61 75 VAL CB C 31.1870 . . 223 61 75 VAL N N 118.7457 . . 224 62 76 ASP H H 8.4973 . . 225 62 76 ASP CA C 58.8070 . . 226 62 76 ASP CB C 42.3569 . . 227 62 76 ASP N N 119.8195 . . 228 63 77 LYS H H 7.2156 . . 229 63 77 LYS CA C 58.3869 . . 230 63 77 LYS CB C 32.2883 . . 231 63 77 LYS N N 114.2970 . . 232 64 78 ALA H H 7.4697 . . 233 64 78 ALA CA C 53.5626 . . 234 64 78 ALA CB C 19.2831 . . 235 64 78 ALA N N 120.3019 . . 236 65 79 VAL H H 7.7344 . . 237 65 79 VAL CA C 63.4309 . . 238 65 79 VAL CB C 32.7058 . . 239 65 79 VAL N N 115.5009 . . 240 66 80 ALA H H 7.0571 . . 241 66 80 ALA CA C 53.8794 . . 242 66 80 ALA CB C 17.3306 . . 243 66 80 ALA N N 121.2982 . . 244 67 81 GLY H H 8.2247 . . 245 67 81 GLY CA C 45.7336 . . 246 67 81 GLY N N 110.2341 . . 247 68 82 GLN H H 7.2958 . . 248 68 82 GLN CA C 53.6954 . . 249 68 82 GLN CB C 27.5766 . . 250 68 82 GLN N N 116.1445 . . 251 69 83 ASP H H 9.1896 . . 252 69 83 ASP CA C 55.8293 . . 253 69 83 ASP CB C 43.5373 . . 254 69 83 ASP N N 116.4545 . . 255 70 84 ALA H H 7.7479 . . 256 70 84 ALA CA C 51.7477 . . 257 70 84 ALA CB C 23.4208 . . 258 70 84 ALA N N 116.8030 . . 259 71 85 VAL H H 8.2258 . . 260 71 85 VAL CA C 60.7497 . . 261 71 85 VAL CB C 35.1125 . . 262 71 85 VAL N N 118.9094 . . 263 72 86 VAL H H 9.0065 . . 264 72 86 VAL CA C 60.8185 . . 265 72 86 VAL CB C 33.8765 . . 266 72 86 VAL N N 127.1335 . . 267 73 87 VAL H H 9.1909 . . 268 73 87 VAL CA C 63.0423 . . 269 73 87 VAL CB C 33.1604 . . 270 73 87 VAL N N 127.1179 . . 271 74 88 LEU H H 8.6526 . . 272 74 88 LEU CA C 54.4478 . . 273 74 88 LEU CB C 42.2317 . . 274 74 88 LEU N N 132.9733 . . 275 75 89 LEU H H 6.5520 . . 276 75 89 LEU CA C 54.1410 . . 277 75 89 LEU CB C 45.1770 . . 278 75 89 LEU N N 116.7468 . . 279 76 90 GLY H H 6.9596 . . 280 76 90 GLY CA C 44.4663 . . 281 76 90 GLY N N 107.3261 . . 282 77 91 THR H H 8.5583 . . 283 77 91 THR CA C 60.5217 . . 284 77 91 THR CB C 68.5586 . . 285 77 91 THR N N 110.0387 . . 286 78 92 GLY H H 9.1467 . . 287 78 92 GLY CA C 47.0051 . . 288 78 92 GLY N N 116.6584 . . 289 79 93 ASN CA C 52.8518 . . 290 80 94 ASP H H 8.0184 . . 291 80 94 ASP CA C 54.2492 . . 292 80 94 ASP CB C 41.0261 . . 293 80 94 ASP N N 121.0116 . . 294 81 95 LEU H H 8.9255 . . 295 81 95 LEU CA C 53.7063 . . 296 81 95 LEU CB C 40.9512 . . 297 81 95 LEU N N 129.4183 . . 298 82 96 SER H H 8.2199 . . 299 82 96 SER CA C 58.8616 . . 300 82 96 SER CB C 61.6989 . . 301 82 96 SER N N 119.3844 . . 302 83 97 PRO CA C 63.9088 . . 303 84 98 THR H H 7.7685 . . 304 84 98 THR CA C 59.6435 . . 305 84 98 THR CB C 68.8800 . . 306 84 98 THR N N 117.4666 . . 307 85 99 THR H H 8.0209 . . 308 85 99 THR CA C 60.1946 . . 309 85 99 THR CB C 68.8628 . . 310 85 99 THR N N 112.9486 . . 311 86 100 VAL H H 8.4171 . . 312 86 100 VAL CA C 66.0646 . . 313 86 100 VAL CB C 31.4692 . . 314 86 100 VAL N N 121.2119 . . 315 87 101 MET H H 7.7303 . . 316 87 101 MET CA C 59.3205 . . 317 87 101 MET CB C 31.1163 . . 318 87 101 MET N N 117.4208 . . 319 88 102 SER H H 8.9972 . . 320 88 102 SER CA C 62.2369 . . 321 88 102 SER N N 117.4175 . . 322 89 103 GLU H H 8.7675 . . 323 89 103 GLU CA C 59.5471 . . 324 89 103 GLU CB C 29.4698 . . 325 89 103 GLU N N 123.4513 . . 326 90 104 GLY H H 8.0408 . . 327 90 104 GLY CA C 47.2491 . . 328 90 104 GLY N N 106.7490 . . 329 91 105 ALA H H 8.5376 . . 330 91 105 ALA CA C 55.3180 . . 331 91 105 ALA CB C 17.9075 . . 332 91 105 ALA N N 122.6302 . . 333 92 106 ARG H H 8.1415 . . 334 92 106 ARG CA C 60.0405 . . 335 92 106 ARG CB C 29.3340 . . 336 92 106 ARG N N 118.5877 . . 337 93 107 ASN H H 7.7102 . . 338 93 107 ASN CA C 55.1738 . . 339 93 107 ASN CB C 36.8378 . . 340 93 107 ASN N N 118.3336 . . 341 94 108 ILE H H 8.7958 . . 342 94 108 ILE CA C 65.6228 . . 343 94 108 ILE CB C 37.7718 . . 344 94 108 ILE N N 124.7919 . . 345 95 109 VAL H H 8.6644 . . 346 95 109 VAL CA C 66.1336 . . 347 95 109 VAL CB C 31.2917 . . 348 95 109 VAL N N 119.5816 . . 349 96 110 ALA H H 7.5099 . . 350 96 110 ALA CA C 54.9809 . . 351 96 110 ALA CB C 17.7703 . . 352 96 110 ALA N N 120.4589 . . 353 97 111 ALA H H 7.7910 . . 354 97 111 ALA CA C 54.4548 . . 355 97 111 ALA CB C 19.1773 . . 356 97 111 ALA N N 120.7592 . . 357 98 112 MET H H 9.0328 . . 358 98 112 MET CA C 60.3250 . . 359 98 112 MET CB C 30.1268 . . 360 98 112 MET N N 119.5249 . . 361 99 113 LYS H H 8.3260 . . 362 99 113 LYS CA C 59.1239 . . 363 99 113 LYS CB C 31.8600 . . 364 99 113 LYS N N 117.4566 . . 365 100 114 ALA H H 7.8237 . . 366 100 114 ALA CA C 54.4212 . . 367 100 114 ALA CB C 18.2344 . . 368 100 114 ALA N N 121.1695 . . 369 101 115 HIS H H 7.6641 . . 370 101 115 HIS CA C 55.9629 . . 371 101 115 HIS CB C 30.3816 . . 372 101 115 HIS N N 112.1058 . . 373 102 116 GLY H H 7.6476 . . 374 102 116 GLY CA C 47.1039 . . 375 102 116 GLY N N 111.3163 . . 376 103 117 VAL H H 8.4881 . . 377 103 117 VAL CA C 61.4938 . . 378 103 117 VAL CB C 32.2204 . . 379 103 117 VAL N N 122.9502 . . 380 104 118 ASP H H 8.8141 . . 381 104 118 ASP CA C 54.5239 . . 382 104 118 ASP CB C 42.9848 . . 383 104 118 ASP N N 125.2077 . . 384 105 119 LYS H H 6.6343 . . 385 105 119 LYS CA C 54.7818 . . 386 105 119 LYS CB C 34.3692 . . 387 105 119 LYS N N 119.3338 . . 388 106 120 VAL H H 9.2349 . . 389 106 120 VAL CA C 57.3170 . . 390 106 120 VAL CB C 33.9703 . . 391 106 120 VAL N N 126.2968 . . 392 107 121 VAL H H 8.7293 . . 393 107 121 VAL CA C 60.2516 . . 394 107 121 VAL CB C 33.5384 . . 395 107 121 VAL N N 129.0692 . . 396 108 122 ALA H H 8.6435 . . 397 108 122 ALA CA C 50.3141 . . 398 108 122 ALA CB C 23.7676 . . 399 108 122 ALA N N 125.5355 . . 400 109 123 CYS H H 8.3808 . . 401 109 123 CYS CA C 57.8499 . . 402 109 123 CYS N N 126.7278 . . 403 110 124 THR H H 9.0336 . . 404 110 124 THR CA C 60.3814 . . 405 110 124 THR CB C 68.1600 . . 406 110 124 THR N N 119.2283 . . 407 111 125 SER H H 7.9583 . . 408 111 125 SER CA C 56.9757 . . 409 111 125 SER CB C 65.8567 . . 410 111 125 SER N N 113.6830 . . 411 112 126 ALA H H 8.3046 . . 412 112 126 ALA CA C 54.0950 . . 413 112 126 ALA N N 125.6392 . . 414 113 127 PHE H H 7.7055 . . 415 113 127 PHE CA C 59.7218 . . 416 113 127 PHE N N 114.8941 . . 417 114 128 LEU H H 7.5911 . . 418 114 128 LEU CA C 59.0547 . . 419 114 128 LEU N N 122.3329 . . 420 115 129 LEU H H 7.9794 . . 421 115 129 LEU CA C 54.1214 . . 422 115 129 LEU N N 118.8085 . . 423 116 130 TRP H H 7.4280 . . 424 116 130 TRP CA C 56.2951 . . 425 116 130 TRP N N 121.6907 . . 426 118 132 PRO CA C 64.3713 . . 427 119 133 ALA H H 8.4603 . . 428 119 133 ALA CA C 53.0971 . . 429 119 133 ALA N N 118.3760 . . 430 120 134 LYS H H 8.3627 . . 431 120 134 LYS CA C 54.8332 . . 432 120 134 LYS N N 116.3768 . . 433 121 135 VAL H H 7.1247 . . 434 121 135 VAL CA C 61.0987 . . 435 121 135 VAL CB C 32.3157 . . 436 121 135 VAL N N 123.1183 . . 437 123 137 PRO CA C 65.2073 . . 438 124 138 ARG H H 8.6393 . . 439 124 138 ARG CA C 57.6307 . . 440 124 138 ARG CB C 28.8857 . . 441 124 138 ARG N N 115.4797 . . 442 125 139 LEU H H 7.8386 . . 443 125 139 LEU CA C 53.3826 . . 444 125 139 LEU CB C 41.7855 . . 445 125 139 LEU N N 117.4263 . . 446 126 140 GLN H H 7.6780 . . 447 126 140 GLN CA C 59.1490 . . 448 126 140 GLN CB C 28.8117 . . 449 126 140 GLN N N 125.7371 . . 450 127 141 ASP H H 8.5043 . . 451 127 141 ASP CA C 57.9514 . . 452 127 141 ASP N N 118.9869 . . 453 129 143 THR CA C 67.1441 . . 454 130 144 ASP H H 8.9206 . . 455 130 144 ASP CA C 57.4923 . . 456 130 144 ASP CB C 39.5182 . . 457 130 144 ASP N N 121.6585 . . 458 131 145 ASP H H 7.3113 . . 459 131 145 ASP CA C 57.0371 . . 460 131 145 ASP CB C 42.1017 . . 461 131 145 ASP N N 120.4028 . . 462 132 146 HIS H H 8.2813 . . 463 132 146 HIS CA C 60.0915 . . 464 132 146 HIS N N 121.2861 . . 465 133 147 ILE H H 8.9607 . . 466 133 147 ILE CA C 66.0977 . . 467 133 147 ILE CB C 37.9212 . . 468 133 147 ILE N N 120.4910 . . 469 134 148 ARG H H 7.7560 . . 470 134 148 ARG CA C 60.2236 . . 471 134 148 ARG CB C 32.6417 . . 472 134 148 ARG N N 119.0515 . . 473 135 149 MET H H 8.8009 . . 474 135 149 MET CA C 59.5638 . . 475 135 149 MET CB C 32.4977 . . 476 135 149 MET N N 120.6851 . . 477 136 150 HIS H H 8.9092 . . 478 136 150 HIS CA C 58.9948 . . 479 136 150 HIS CB C 31.8759 . . 480 136 150 HIS N N 120.0803 . . 481 137 151 LYS H H 8.1869 . . 482 137 151 LYS CA C 59.5429 . . 483 137 151 LYS CB C 31.7931 . . 484 137 151 LYS N N 118.3890 . . 485 138 152 VAL H H 7.5004 . . 486 138 152 VAL CA C 65.3492 . . 487 138 152 VAL N N 118.3773 . . 488 139 153 LEU H H 7.6132 . . 489 139 153 LEU CA C 57.6650 . . 490 139 153 LEU CB C 38.4991 . . 491 139 153 LEU N N 119.3838 . . 492 140 154 GLN H H 9.1949 . . 493 140 154 GLN CA C 59.5245 . . 494 140 154 GLN CB C 29.4083 . . 495 140 154 GLN N N 124.0914 . . 496 141 155 GLU H H 8.0470 . . 497 141 155 GLU CA C 56.8147 . . 498 141 155 GLU CB C 29.0322 . . 499 141 155 GLU N N 116.0605 . . 500 142 156 SER H H 7.2470 . . 501 142 156 SER CA C 60.8644 . . 502 142 156 SER CB C 65.2648 . . 503 142 156 SER N N 113.7421 . . 504 143 157 GLY H H 7.6255 . . 505 143 157 GLY CA C 45.7077 . . 506 143 157 GLY N N 110.5669 . . 507 144 158 LEU H H 7.7534 . . 508 144 158 LEU CA C 53.8214 . . 509 144 158 LEU CB C 41.1649 . . 510 144 158 LEU N N 121.6474 . . 511 145 159 LYS H H 8.4037 . . 512 145 159 LYS CA C 55.8071 . . 513 145 159 LYS CB C 30.4853 . . 514 145 159 LYS N N 121.8180 . . 515 146 160 TYR H H 8.0185 . . 516 146 160 TYR CA C 53.0294 . . 517 146 160 TYR CB C 40.1283 . . 518 146 160 TYR N N 127.0353 . . 519 147 161 VAL H H 8.7873 . . 520 147 161 VAL CA C 61.7704 . . 521 147 161 VAL CB C 32.6250 . . 522 147 161 VAL N N 132.0901 . . 523 148 162 ALA H H 7.2504 . . 524 148 162 ALA CA C 50.9091 . . 525 148 162 ALA CB C 19.0598 . . 526 148 162 ALA N N 130.6169 . . 527 149 163 VAL H H 8.3371 . . 528 149 163 VAL CA C 62.3048 . . 529 149 163 VAL CB C 31.7289 . . 530 149 163 VAL N N 128.3040 . . 531 150 164 MET H H 8.9362 . . 532 150 164 MET CA C 53.5557 . . 533 150 164 MET CB C 32.0368 . . 534 150 164 MET N N 129.2692 . . 535 152 166 PRO CA C 61.5531 . . 536 153 167 HIS H H 7.2000 . . 537 153 167 HIS CA C 57.8997 . . 538 153 167 HIS N N 114.9162 . . 539 154 168 ILE H H 7.4596 . . 540 154 168 ILE CA C 59.5281 . . 541 154 168 ILE N N 123.9599 . . 542 155 169 GLY H H 8.6200 . . 543 155 169 GLY CA C 43.2571 . . 544 155 169 GLY N N 115.2251 . . 545 156 170 ASP H H 8.2707 . . 546 156 170 ASP CA C 53.6010 . . 547 156 170 ASP CB C 41.6412 . . 548 156 170 ASP N N 118.4922 . . 549 157 171 GLN H H 8.8894 . . 550 157 171 GLN CA C 56.6910 . . 551 157 171 GLN CB C 24.8216 . . 552 157 171 GLN N N 122.2941 . . 553 158 172 PRO CA C 63.0894 . . 554 158 172 PRO CB C 31.9986 . . 555 159 173 LEU H H 7.7562 . . 556 159 173 LEU CA C 56.2096 . . 557 159 173 LEU CB C 42.1797 . . 558 159 173 LEU N N 119.6258 . . 559 160 174 THR H H 10.1926 . . 560 160 174 THR CA C 62.1984 . . 561 160 174 THR N N 119.9704 . . 562 161 175 GLY H H 8.9604 . . 563 161 175 GLY CA C 45.7441 . . 564 161 175 GLY N N 112.6664 . . 565 162 176 ALA H H 7.9453 . . 566 162 176 ALA CA C 51.3399 . . 567 162 176 ALA CB C 19.2406 . . 568 162 176 ALA N N 122.7335 . . 569 163 177 TYR H H 5.8191 . . 570 163 177 TYR CA C 53.9010 . . 571 163 177 TYR CB C 38.8563 . . 572 163 177 TYR N N 113.7899 . . 573 164 178 SER H H 8.8592 . . 574 164 178 SER CA C 56.9735 . . 575 164 178 SER CB C 65.3938 . . 576 164 178 SER N N 115.3975 . . 577 165 179 VAL H H 8.5785 . . 578 165 179 VAL CA C 61.8510 . . 579 165 179 VAL CB C 33.9388 . . 580 165 179 VAL N N 122.4447 . . 581 168 182 ASP CA C 54.6826 . . 582 169 183 GLY H H 7.3099 . . 583 169 183 GLY N N 103.0192 . . 584 170 184 ARG H H 8.1412 . . 585 170 184 ARG CA C 55.3540 . . 586 170 184 ARG N N 116.1493 . . 587 175 189 VAL CA C 60.0204 . . 588 176 190 ILE H H 8.5907 . . 589 176 190 ILE CA C 55.3850 . . 590 176 190 ILE CB C 42.0384 . . 591 176 190 ILE N N 121.8306 . . 592 177 191 SER H H 9.1811 . . 593 177 191 SER CA C 57.3886 . . 594 177 191 SER CB C 64.6087 . . 595 177 191 SER N N 122.2692 . . 596 178 192 LYS H H 9.0681 . . 597 178 192 LYS CA C 58.7873 . . 598 178 192 LYS N N 124.2619 . . 599 179 193 HIS H H 7.0393 . . 600 179 193 HIS CA C 57.3617 . . 601 179 193 HIS CB C 31.3497 . . 602 179 193 HIS N N 117.6240 . . 603 180 194 ASP H H 7.5415 . . 604 180 194 ASP CA C 56.5939 . . 605 180 194 ASP CB C 41.1079 . . 606 180 194 ASP N N 121.1614 . . 607 181 195 LEU H H 8.7197 . . 608 181 195 LEU CA C 57.1992 . . 609 181 195 LEU CB C 40.1140 . . 610 181 195 LEU N N 121.5293 . . 611 182 196 GLY H H 8.0594 . . 612 182 196 GLY CA C 48.5522 . . 613 182 196 GLY N N 106.8178 . . 614 183 197 HIS H H 8.0615 . . 615 183 197 HIS CA C 61.1767 . . 616 183 197 HIS CB C 30.5493 . . 617 183 197 HIS N N 122.0300 . . 618 184 198 PHE H H 8.7566 . . 619 184 198 PHE CA C 61.1812 . . 620 184 198 PHE CB C 38.2383 . . 621 184 198 PHE N N 122.3395 . . 622 185 199 MET H H 8.5541 . . 623 185 199 MET CA C 58.5621 . . 624 185 199 MET CB C 30.0484 . . 625 185 199 MET N N 118.6964 . . 626 186 200 LEU H H 7.4075 . . 627 186 200 LEU CA C 56.0638 . . 628 186 200 LEU CB C 40.0569 . . 629 186 200 LEU N N 112.7427 . . 630 187 201 HIS H H 8.5926 . . 631 187 201 HIS CA C 59.6013 . . 632 187 201 HIS N N 123.7932 . . 633 188 202 CYS H H 7.7353 . . 634 188 202 CYS CA C 63.5653 . . 635 188 202 CYS CB C 27.8476 . . 636 188 202 CYS N N 116.8042 . . 637 189 203 LEU H H 7.5807 . . 638 189 203 LEU CA C 55.4318 . . 639 189 203 LEU CB C 40.7395 . . 640 189 203 LEU N N 115.0252 . . 641 190 204 THR H H 7.8435 . . 642 190 204 THR CA C 61.5002 . . 643 190 204 THR CB C 70.1322 . . 644 190 204 THR N N 108.2604 . . 645 191 205 THR H H 6.9441 . . 646 191 205 THR CA C 57.5826 . . 647 191 205 THR CB C 68.7845 . . 648 191 205 THR N N 114.5658 . . 649 192 206 ALA H H 8.5730 . . 650 192 206 ALA CA C 51.5572 . . 651 192 206 ALA CB C 19.3970 . . 652 192 206 ALA N N 129.7046 . . 653 193 207 GLU H H 8.2926 . . 654 193 207 GLU CA C 58.8560 . . 655 193 207 GLU CB C 29.7431 . . 656 193 207 GLU N N 121.1132 . . 657 194 208 TYR H H 8.2888 . . 658 194 208 TYR CA C 55.6839 . . 659 194 208 TYR CB C 38.8346 . . 660 194 208 TYR N N 116.5141 . . 661 195 209 ASP H H 7.5396 . . 662 195 209 ASP CA C 55.9461 . . 663 195 209 ASP CB C 38.6639 . . 664 195 209 ASP N N 123.3305 . . 665 196 210 GLY H H 8.7467 . . 666 196 210 GLY CA C 45.9998 . . 667 196 210 GLY N N 111.9316 . . 668 197 211 HIS H H 8.3526 . . 669 197 211 HIS CA C 54.6135 . . 670 197 211 HIS CB C 31.0570 . . 671 197 211 HIS N N 116.7593 . . 672 198 212 SER H H 8.7809 . . 673 198 212 SER CA C 57.2580 . . 674 198 212 SER CB C 65.2495 . . 675 198 212 SER N N 116.5200 . . 676 204 218 GLN H H 6.2840 . . 677 204 218 GLN CA C 54.0827 . . 678 204 218 GLN CB C 29.2308 . . 679 204 218 GLN N N 122.0383 . . 680 205 219 TYR H H 8.4272 . . 681 205 219 TYR CA C 58.5509 . . 682 205 219 TYR CB C 39.2690 . . 683 205 219 TYR N N 124.0596 . . 684 206 220 ASP H H 7.9553 . . 685 206 220 ASP CA C 55.5654 . . 686 206 220 ASP CB C 41.9562 . . 687 206 220 ASP N N 126.4996 . . stop_ save_