data_18473 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N resonance assignment of mouse lipocalin-type prostaglandin D synthase/substrate analog complex. ; _BMRB_accession_number 18473 _BMRB_flat_file_name bmr18473.str _Entry_type original _Submission_date 2012-05-18 _Accession_date 2012-05-18 _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 Shimamoto Shigeru . . 2 Ohkubo Tadayasu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 675 "13C chemical shifts" 432 "15N chemical shifts" 143 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-13 update BMRB 'update entry citation' 2012-06-18 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'H, 13C, and 15N resonance assignments of mouse lipocalin-type prostaglandin D synthase/substrate analog complex.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23361378 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shimamoto Shigeru . . 2 Maruo Hiroko . . 3 Yoshida Takuya . . 4 Ohkubo Tadayasu . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 8 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 129 _Page_last 132 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'L-PGDS/U-46619 complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label L-PGDS $lipocalin-type_prostaglandin_D_synthase U-46619 $U46 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_lipocalin-type_prostaglandin_D_synthase _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common lipocalin-type_prostaglandin_D_synthase _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 167 _Mol_residue_sequence ; GSQGHDTVQPNFQQDKFLGR WYSAGLASNSSWFREKKAVL YMCKTVVAPSTEGGLNLTST FLRKNQAETKIMVLQPAGAP GHYTYSSPHSGSIHSVSVVE ANYDEYALLFSRGTKGPGQD FRMATLYSRTQTLKDELKEK FTTFSKAQGLTEEDIVFLPQ PDKAIQE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . GLY 2 . SER 3 25 GLN 4 26 GLY 5 27 HIS 6 28 ASP 7 29 THR 8 30 VAL 9 31 GLN 10 32 PRO 11 33 ASN 12 34 PHE 13 35 GLN 14 36 GLN 15 37 ASP 16 38 LYS 17 39 PHE 18 40 LEU 19 41 GLY 20 42 ARG 21 43 TRP 22 44 TYR 23 45 SER 24 46 ALA 25 47 GLY 26 48 LEU 27 49 ALA 28 50 SER 29 51 ASN 30 52 SER 31 53 SER 32 54 TRP 33 55 PHE 34 56 ARG 35 57 GLU 36 58 LYS 37 59 LYS 38 60 ALA 39 61 VAL 40 62 LEU 41 63 TYR 42 64 MET 43 65 CYS 44 66 LYS 45 67 THR 46 68 VAL 47 69 VAL 48 70 ALA 49 71 PRO 50 72 SER 51 73 THR 52 74 GLU 53 75 GLY 54 76 GLY 55 77 LEU 56 78 ASN 57 79 LEU 58 80 THR 59 81 SER 60 82 THR 61 83 PHE 62 84 LEU 63 85 ARG 64 86 LYS 65 87 ASN 66 88 GLN 67 89 ALA 68 90 GLU 69 91 THR 70 92 LYS 71 93 ILE 72 94 MET 73 95 VAL 74 96 LEU 75 97 GLN 76 98 PRO 77 99 ALA 78 100 GLY 79 101 ALA 80 102 PRO 81 103 GLY 82 104 HIS 83 105 TYR 84 106 THR 85 107 TYR 86 108 SER 87 109 SER 88 110 PRO 89 111 HIS 90 112 SER 91 113 GLY 92 114 SER 93 115 ILE 94 116 HIS 95 117 SER 96 118 VAL 97 119 SER 98 120 VAL 99 121 VAL 100 122 GLU 101 123 ALA 102 124 ASN 103 125 TYR 104 126 ASP 105 127 GLU 106 128 TYR 107 129 ALA 108 130 LEU 109 131 LEU 110 132 PHE 111 133 SER 112 134 ARG 113 135 GLY 114 136 THR 115 137 LYS 116 138 GLY 117 139 PRO 118 140 GLY 119 141 GLN 120 142 ASP 121 143 PHE 122 144 ARG 123 145 MET 124 146 ALA 125 147 THR 126 148 LEU 127 149 TYR 128 150 SER 129 151 ARG 130 152 THR 131 153 GLN 132 154 THR 133 155 LEU 134 156 LYS 135 157 ASP 136 158 GLU 137 159 LEU 138 160 LYS 139 161 GLU 140 162 LYS 141 163 PHE 142 164 THR 143 165 THR 144 166 PHE 145 167 SER 146 168 LYS 147 169 ALA 148 170 GLN 149 171 GLY 150 172 LEU 151 173 THR 152 174 GLU 153 175 GLU 154 176 ASP 155 177 ILE 156 178 VAL 157 179 PHE 158 180 LEU 159 181 PRO 160 182 GLN 161 183 PRO 162 184 ASP 163 185 LYS 164 186 ALA 165 187 ILE 166 188 GLN 167 189 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-23 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 10137 L-PGDS 100.00 167 98.80 98.80 4.23e-119 BMRB 11062 "lipocalin-type prostaglandin D synthase" 100.00 167 98.20 98.20 1.44e-117 PDB 2CZT "Lipocalin-Type Prostaglandin D Synthase" 100.00 167 98.20 98.20 1.44e-117 PDB 2CZU "Lipocalin-Type Prostaglandin D Synthase" 100.00 167 98.20 98.20 1.44e-117 PDB 2E4J "Solution Structure Of Mouse Lipocalin-Type Prostaglandin D Synthase" 100.00 167 100.00 100.00 2.23e-120 PDB 2KTD "Solution Structure Of Mouse Lipocalin-Type Prostaglandin D Synthase Substrate Analog (U-46619) Complex" 100.00 167 100.00 100.00 2.23e-120 PDB 2RQ0 "Solution Structure Of Mouse Lipocalin-Type Prostaglandin D Synthase Possessing The Intrinsic Disulfide Bond" 100.00 167 98.20 98.20 1.44e-117 DBJ BAA74461 "prostaglandin D2 synthase [Mus musculus]" 99.40 189 98.19 98.80 2.30e-117 DBJ BAE20833 "unnamed protein product [Mus musculus]" 99.40 189 98.19 98.80 2.30e-117 EMBL CAA61506 "prostaglandin D synthetase [Mus musculus]" 99.40 189 98.19 98.80 2.30e-117 EMBL CAA71226 "prostaglandin D synthase [Mus musculus]" 99.40 189 98.19 98.80 2.30e-117 GB AAH38083 "Ptgds protein [Mus musculus]" 75.45 126 98.41 98.41 1.78e-85 GB AAH43015 "Prostaglandin D2 synthase (brain) [Mus musculus]" 99.40 189 98.19 98.80 2.30e-117 GB EDL08248 "prostaglandin D2 synthase (brain), isoform CRA_a, partial [Mus musculus]" 99.40 214 98.19 98.80 6.27e-117 GB EDL08250 "prostaglandin D2 synthase (brain), isoform CRA_c [Mus musculus]" 99.40 189 98.19 98.80 2.30e-117 GB EDL08251 "prostaglandin D2 synthase (brain), isoform CRA_c [Mus musculus]" 99.40 189 98.19 98.80 2.30e-117 REF NP_032989 "prostaglandin-H2 D-isomerase precursor [Mus musculus]" 99.40 189 98.19 98.80 2.30e-117 REF XP_006497849 "PREDICTED: prostaglandin-H2 D-isomerase isoform X1 [Mus musculus]" 99.40 189 98.19 98.80 2.30e-117 REF XP_006497850 "PREDICTED: prostaglandin-H2 D-isomerase isoform X1 [Mus musculus]" 99.40 189 98.19 98.80 2.30e-117 SP O09114 "RecName: Full=Prostaglandin-H2 D-isomerase; AltName: Full=Glutathione-independent PGD synthase; AltName: Full=Lipocalin-type pr" 99.40 189 98.19 98.80 2.30e-117 stop_ save_ ############# # Ligands # ############# save_U46 _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common '(5E)-7-{6-[(1E)-3-HYDROXYOCT-1-ENYL]-2-OXABICYCLO[2.2.1]HEPT-5-YL}HEPT-5-ENOIC ACID' _BMRB_code U46 _PDB_code U46 _Molecular_mass 350.492 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons OAX OAX O . 0 . ? CAW CAW C . 0 . ? OAY OAY O . 0 . ? CAR CAR C . 0 . ? CAQ CAQ C . 0 . ? CAP CAP C . 0 . ? CAO CAO C . 0 . ? CAN CAN C . 0 . ? CAF CAF C . 0 . ? CAD CAD C . 0 . ? CAC CAC C . 0 . ? CAB CAB C . 0 . ? CAT CAT C . 0 . ? OAS OAS O . 0 . ? CAA CAA C . 0 . ? CAE CAE C . 0 . ? CAG CAG C . 0 . ? CAH CAH C . 0 . ? CAI CAI C . 0 . ? OAU OAU O . 0 . ? CAJ CAJ C . 0 . ? CAK CAK C . 0 . ? CAL CAL C . 0 . ? CAM CAM C . 0 . ? CAV CAV C . 0 . ? HAX HAX H . 0 . ? HAR1 HAR1 H . 0 . ? HAR2 HAR2 H . 0 . ? HAQ1 HAQ1 H . 0 . ? HAQ2 HAQ2 H . 0 . ? HAP1 HAP1 H . 0 . ? HAP2 HAP2 H . 0 . ? HAO HAO H . 0 . ? HAN HAN H . 0 . ? HAF1 HAF1 H . 0 . ? HAF2 HAF2 H . 0 . ? HAD HAD H . 0 . ? HAC HAC H . 0 . ? HAB1 HAB1 H . 0 . ? HAB2 HAB2 H . 0 . ? HAT1 HAT1 H . 0 . ? HAT2 HAT2 H . 0 . ? HAA HAA H . 0 . ? HAE HAE H . 0 . ? HAG HAG H . 0 . ? HAH HAH H . 0 . ? HAI HAI H . 0 . ? HAU HAU H . 0 . ? HAJ1 HAJ1 H . 0 . ? HAJ2 HAJ2 H . 0 . ? HAK1 HAK1 H . 0 . ? HAK2 HAK2 H . 0 . ? HAL1 HAL1 H . 0 . ? HAL2 HAL2 H . 0 . ? HAM1 HAM1 H . 0 . ? HAM2 HAM2 H . 0 . ? HAV1 HAV1 H . 0 . ? HAV2 HAV2 H . 0 . ? HAV3 HAV3 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 SING OAX CAW ? ? SING OAX HAX ? ? DOUB CAW OAY ? ? SING CAW CAR ? ? SING CAR CAQ ? ? SING CAR HAR1 ? ? SING CAR HAR2 ? ? SING CAQ CAP ? ? SING CAQ HAQ1 ? ? SING CAQ HAQ2 ? ? SING CAP CAO ? ? SING CAP HAP1 ? ? SING CAP HAP2 ? ? DOUB CAO CAN ? ? SING CAO HAO ? ? SING CAN CAF ? ? SING CAN HAN ? ? SING CAF CAD ? ? SING CAF HAF1 ? ? SING CAF HAF2 ? ? SING CAD CAC ? ? SING CAD CAE ? ? SING CAD HAD ? ? SING CAC CAB ? ? SING CAC CAT ? ? SING CAC HAC ? ? SING CAB CAA ? ? SING CAB HAB1 ? ? SING CAB HAB2 ? ? SING CAT OAS ? ? SING CAT HAT1 ? ? SING CAT HAT2 ? ? SING OAS CAA ? ? SING CAA CAE ? ? SING CAA HAA ? ? SING CAE CAG ? ? SING CAE HAE ? ? DOUB CAG CAH ? ? SING CAG HAG ? ? SING CAH CAI ? ? SING CAH HAH ? ? SING CAI OAU ? ? SING CAI CAJ ? ? SING CAI HAI ? ? SING OAU HAU ? ? SING CAJ CAK ? ? SING CAJ HAJ1 ? ? SING CAJ HAJ2 ? ? SING CAK CAL ? ? SING CAK HAK1 ? ? SING CAK HAK2 ? ? SING CAL CAM ? ? SING CAL HAL1 ? ? SING CAL HAL2 ? ? SING CAM CAV ? ? SING CAM HAM1 ? ? SING CAM HAM2 ? ? SING CAV HAV1 ? ? SING CAV HAV2 ? ? SING CAV HAV3 ? ? 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 $lipocalin-type_prostaglandin_D_synthase Mouse 10090 Eukaryota Metazoa Mus musculus 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 $lipocalin-type_prostaglandin_D_synthase 'recombinant technology' . Escherichia coli . pGEX-2T stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'L-PGDS/U-46619 complex' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $lipocalin-type_prostaglandin_D_synthase 1.0 mM '[U-99% 13C; U-99% 15N]' $U46 1.5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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 pH 7.0 . pH pressure 1 . atm temperature 300.5 . 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_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D HCCH-TOCSY' 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 L-PGDS _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 25 3 GLN HA H 4.43 . 1 2 25 3 GLN HB2 H 2.058 . 2 3 25 3 GLN HB3 H 1.955 . 2 4 25 3 GLN CA C 56.337 . 1 5 25 3 GLN CB C 29.405 . 1 6 26 4 GLY H H 8.388 . 1 7 26 4 GLY CA C 45.467 . 1 8 26 4 GLY N N 109.861 . 1 9 27 5 HIS CA C 56.078 . 1 10 27 5 HIS CB C 31.219 . 1 11 28 6 ASP H H 8.319 . 1 12 28 6 ASP HA H 4.669 . 1 13 28 6 ASP HB2 H 2.638 . 2 14 28 6 ASP HB3 H 2.534 . 2 15 28 6 ASP CA C 54.2 . 1 16 28 6 ASP CB C 41.252 . 1 17 28 6 ASP N N 121.212 . 1 18 29 7 THR H H 8.168 . 1 19 29 7 THR HA H 4.278 . 1 20 29 7 THR HB H 4.213 . 1 21 29 7 THR HG2 H 1.203 . 1 22 29 7 THR CA C 62.554 . 1 23 29 7 THR CB C 69.754 . 1 24 29 7 THR CG2 C 21.731 . 1 25 29 7 THR N N 116.467 . 1 26 30 8 VAL H H 7.728 . 1 27 30 8 VAL HA H 4.326 . 1 28 30 8 VAL HB H 1.816 . 1 29 30 8 VAL HG1 H 0.72 . 4 30 30 8 VAL CA C 60.06 . 1 31 30 8 VAL CB C 34.641 . 1 32 30 8 VAL CG1 C 20.687 . 2 33 30 8 VAL N N 119.95 . 1 34 31 9 GLN H H 8.505 . 1 35 31 9 GLN CA C 53.274 . 1 36 31 9 GLN CB C 29.924 . 1 37 31 9 GLN CG C 33.029 . 1 38 31 9 GLN N N 127.541 . 1 39 32 10 PRO HA H 4.393 . 1 40 32 10 PRO HB2 H 2.346 . 2 41 32 10 PRO HB3 H 1.924 . 2 42 32 10 PRO CA C 63.203 . 1 43 32 10 PRO CB C 32.258 . 1 44 32 10 PRO CG C 27.614 . 1 45 32 10 PRO CD C 51.737 . 1 46 33 11 ASN H H 9.036 . 1 47 33 11 ASN HA H 4.489 . 1 48 33 11 ASN HB2 H 3.029 . 2 49 33 11 ASN HB3 H 2.781 . 2 50 33 11 ASN CA C 53.999 . 1 51 33 11 ASN CB C 38.338 . 1 52 33 11 ASN N N 119.027 . 1 53 34 12 PHE H H 7.952 . 1 54 34 12 PHE HA H 4.129 . 1 55 34 12 PHE HB2 H 3.284 . 2 56 34 12 PHE HB3 H 2.591 . 2 57 34 12 PHE HD1 H 7.041 . 3 58 34 12 PHE HD2 H 7.041 . 3 59 34 12 PHE HE1 H 7.166 . 3 60 34 12 PHE HE2 H 7.166 . 3 61 34 12 PHE CA C 59.477 . 1 62 34 12 PHE CB C 39.337 . 1 63 34 12 PHE N N 118.803 . 1 64 35 13 GLN H H 7.391 . 1 65 35 13 GLN HA H 4.279 . 1 66 35 13 GLN HB2 H 1.799 . 2 67 35 13 GLN HB3 H 1.29 . 2 68 35 13 GLN HG2 H 2.32 . 2 69 35 13 GLN CA C 52.831 . 1 70 35 13 GLN CB C 29.543 . 1 71 35 13 GLN CG C 32.902 . 1 72 35 13 GLN N N 128.467 . 1 73 36 14 GLN H H 8.74 . 1 74 36 14 GLN HA H 3.496 . 1 75 36 14 GLN HB2 H 2.253 . 2 76 36 14 GLN HB3 H 2.129 . 2 77 36 14 GLN HG2 H 2.51 . 2 78 36 14 GLN CA C 60.144 . 1 79 36 14 GLN CB C 29.742 . 1 80 36 14 GLN CG C 36.037 . 1 81 36 14 GLN N N 124.853 . 1 82 37 15 ASP H H 8.603 . 1 83 37 15 ASP HA H 4.2 . 1 84 37 15 ASP HB2 H 2.595 . 2 85 37 15 ASP HB3 H 2.49 . 2 86 37 15 ASP CA C 56.387 . 1 87 37 15 ASP CB C 39.41 . 1 88 37 15 ASP N N 113.973 . 1 89 38 16 LYS H H 6.828 . 1 90 38 16 LYS HA H 3.98 . 1 91 38 16 LYS HB2 H 1.09 . 2 92 38 16 LYS HB3 H 0.445 . 2 93 38 16 LYS HE2 H 2.852 . 2 94 38 16 LYS CA C 56.333 . 1 95 38 16 LYS CB C 31.092 . 1 96 38 16 LYS CG C 25.275 . 1 97 38 16 LYS CD C 28.418 . 1 98 38 16 LYS CE C 41.742 . 1 99 38 16 LYS N N 116.473 . 1 100 39 17 PHE H H 7.459 . 1 101 39 17 PHE HA H 4.796 . 1 102 39 17 PHE HB2 H 3.364 . 2 103 39 17 PHE HB3 H 3.187 . 2 104 39 17 PHE HD1 H 7.238 . 3 105 39 17 PHE HD2 H 7.238 . 3 106 39 17 PHE HE1 H 6.656 . 3 107 39 17 PHE HE2 H 6.932 . 3 108 39 17 PHE HZ H 6.229 . 1 109 39 17 PHE CA C 57.447 . 1 110 39 17 PHE CB C 42.118 . 1 111 39 17 PHE N N 119.321 . 1 112 40 18 LEU H H 6.676 . 1 113 40 18 LEU HA H 3.91 . 1 114 40 18 LEU HB2 H 1.827 . 2 115 40 18 LEU HB3 H 1.54 . 2 116 40 18 LEU HG H 2.273 . 1 117 40 18 LEU HD1 H 0.658 . 2 118 40 18 LEU HD2 H 1.039 . 2 119 40 18 LEU CA C 54.582 . 1 120 40 18 LEU CB C 42.45 . 1 121 40 18 LEU CD1 C 22.352 . 2 122 40 18 LEU CD2 C 25.316 . 1 123 40 18 LEU N N 111.918 . 1 124 41 19 GLY H H 8.916 . 1 125 41 19 GLY HA2 H 4.323 . 2 126 41 19 GLY HA3 H 3.684 . 2 127 41 19 GLY CA C 44.062 . 1 128 41 19 GLY N N 107.801 . 1 129 42 20 ARG H H 8.655 . 1 130 42 20 ARG HA H 4.414 . 1 131 42 20 ARG HB2 H 1.615 . 2 132 42 20 ARG CA C 56.839 . 1 133 42 20 ARG CB C 30.487 . 1 134 42 20 ARG CG C 26.666 . 1 135 42 20 ARG CD C 43.373 . 1 136 42 20 ARG N N 121.685 . 1 137 43 21 TRP H H 9.157 . 1 138 43 21 TRP HA H 4.614 . 1 139 43 21 TRP HB2 H 2.547 . 2 140 43 21 TRP HB3 H 2.053 . 2 141 43 21 TRP HD1 H 6.541 . 1 142 43 21 TRP HE1 H 9.741 . 2 143 43 21 TRP HE3 H 7.146 . 3 144 43 21 TRP HZ3 H 6.22 . 3 145 43 21 TRP HH2 H 6.59 . 1 146 43 21 TRP CA C 55.407 . 1 147 43 21 TRP CB C 34.141 . 1 148 43 21 TRP N N 130.604 . 1 149 43 21 TRP NE1 N 130.315 . 1 150 44 22 TYR H H 9.62 . 1 151 44 22 TYR HA H 5.332 . 1 152 44 22 TYR HB2 H 2.949 . 2 153 44 22 TYR HB3 H 2.795 . 2 154 44 22 TYR HD1 H 7.033 . 3 155 44 22 TYR HD2 H 7.033 . 3 156 44 22 TYR HE1 H 6.845 . 3 157 44 22 TYR HE2 H 6.845 . 3 158 44 22 TYR CA C 57.357 . 1 159 44 22 TYR CB C 39.892 . 1 160 44 22 TYR N N 118.079 . 1 161 45 23 SER H H 8.975 . 1 162 45 23 SER HA H 3.994 . 1 163 45 23 SER HB2 H 3.881 . 2 164 45 23 SER CA C 57.936 . 1 165 45 23 SER CB C 63.117 . 1 166 45 23 SER N N 119.045 . 1 167 46 24 ALA H H 8.759 . 1 168 46 24 ALA HA H 4.833 . 1 169 46 24 ALA HB H 1.495 . 1 170 46 24 ALA CA C 52.198 . 1 171 46 24 ALA CB C 22.279 . 1 172 46 24 ALA N N 126.821 . 1 173 47 25 GLY H H 7.934 . 1 174 47 25 GLY HA2 H 4.934 . 2 175 47 25 GLY HA3 H 2.81 . 2 176 47 25 GLY CA C 45.088 . 1 177 47 25 GLY N N 107.495 . 1 178 48 26 LEU H H 9.107 . 1 179 48 26 LEU HA H 5.411 . 1 180 48 26 LEU HB2 H 1.597 . 2 181 48 26 LEU HD1 H 1.127 . 2 182 48 26 LEU CA C 54.359 . 1 183 48 26 LEU CB C 49.003 . 1 184 48 26 LEU CD1 C 25.78 . 2 185 48 26 LEU N N 124.867 . 1 186 49 27 ALA H H 8.928 . 1 187 49 27 ALA HA H 5.523 . 1 188 49 27 ALA HB H 1.116 . 1 189 49 27 ALA CA C 50.717 . 1 190 49 27 ALA CB C 24.33 . 1 191 49 27 ALA N N 124.268 . 1 192 50 28 SER H H 7.251 . 1 193 50 28 SER HA H 4.628 . 1 194 50 28 SER HB2 H 3.488 . 2 195 50 28 SER HB3 H 2.586 . 2 196 50 28 SER CA C 55.913 . 1 197 50 28 SER CB C 64.638 . 1 198 50 28 SER N N 113.882 . 1 199 51 29 ASN H H 7.653 . 1 200 51 29 ASN HA H 4.853 . 1 201 51 29 ASN HB2 H 3.31 . 2 202 51 29 ASN HB3 H 2.521 . 2 203 51 29 ASN CA C 51.721 . 1 204 51 29 ASN CB C 37.78 . 1 205 51 29 ASN N N 120.341 . 1 206 52 30 SER H H 8.248 . 1 207 52 30 SER HA H 4.605 . 1 208 52 30 SER HB2 H 4.032 . 2 209 52 30 SER CA C 57.9 . 1 210 52 30 SER CB C 65.215 . 1 211 52 30 SER N N 115.615 . 1 212 55 33 PHE HA H 3.504 . 1 213 55 33 PHE HB2 H 2.952 . 2 214 55 33 PHE HD1 H 7.034 . 3 215 55 33 PHE HD2 H 7.034 . 3 216 55 33 PHE CA C 61.084 . 1 217 55 33 PHE CB C 39.363 . 1 218 56 34 ARG H H 7.978 . 1 219 56 34 ARG HA H 3.615 . 1 220 56 34 ARG HB2 H 1.895 . 2 221 56 34 ARG CA C 60.044 . 1 222 56 34 ARG CB C 29.984 . 1 223 56 34 ARG CG C 28.4 . 1 224 56 34 ARG CD C 43.449 . 1 225 56 34 ARG N N 117.368 . 1 226 57 35 GLU H H 7.722 . 1 227 57 35 GLU HA H 3.92 . 1 228 57 35 GLU HB2 H 1.893 . 2 229 57 35 GLU HG2 H 2.991 . 2 230 57 35 GLU CA C 58.122 . 1 231 57 35 GLU CB C 30.092 . 1 232 57 35 GLU CG C 36.287 . 1 233 57 35 GLU N N 116.18 . 1 234 58 36 LYS H H 7.508 . 1 235 58 36 LYS HA H 4.164 . 1 236 58 36 LYS HB2 H 1.496 . 2 237 58 36 LYS HB3 H 1 . 2 238 58 36 LYS HG2 H 0.996 . 2 239 58 36 LYS HG3 H 0.837 . 2 240 58 36 LYS HD2 H 1.3 . 2 241 58 36 LYS HD3 H 1.126 . 2 242 58 36 LYS HE2 H 2.811 . 2 243 58 36 LYS HE3 H 2.701 . 2 244 58 36 LYS CA C 55.255 . 1 245 58 36 LYS CB C 32.625 . 1 246 58 36 LYS CG C 24.339 . 1 247 58 36 LYS CD C 28.165 . 1 248 58 36 LYS CE C 41.977 . 1 249 58 36 LYS N N 116.546 . 1 250 59 37 LYS H H 7.431 . 1 251 59 37 LYS HA H 3.288 . 1 252 59 37 LYS HB2 H 1.312 . 2 253 59 37 LYS HB3 H 1.131 . 2 254 59 37 LYS HG2 H 1.081 . 2 255 59 37 LYS HE2 H 2.873 . 2 256 59 37 LYS CA C 60.063 . 1 257 59 37 LYS CB C 31.585 . 1 258 59 37 LYS CG C 23.805 . 1 259 59 37 LYS CD C 29.964 . 1 260 59 37 LYS CE C 41.911 . 1 261 59 37 LYS N N 118.797 . 1 262 60 38 ALA H H 8.023 . 1 263 60 38 ALA HA H 4.203 . 1 264 60 38 ALA HB H 1.372 . 1 265 60 38 ALA CA C 53.388 . 1 266 60 38 ALA CB C 19.148 . 1 267 60 38 ALA N N 117.567 . 1 268 61 39 VAL H H 7.905 . 1 269 61 39 VAL HA H 4.515 . 1 270 61 39 VAL HB H 2.5 . 1 271 61 39 VAL HG1 H 0.866 . 4 272 61 39 VAL HG2 H 0.866 . 2 273 61 39 VAL CA C 59.979 . 1 274 61 39 VAL CB C 31.55 . 1 275 61 39 VAL CG1 C 21.215 . 2 276 61 39 VAL CG2 C 19.165 . 2 277 61 39 VAL N N 109.759 . 1 278 62 40 LEU H H 6.689 . 1 279 62 40 LEU HA H 4.341 . 1 280 62 40 LEU HB2 H 1.569 . 2 281 62 40 LEU HB3 H 1.216 . 2 282 62 40 LEU HG H 1.83 . 1 283 62 40 LEU HD1 H 0.742 . 4 284 62 40 LEU CA C 54.928 . 1 285 62 40 LEU CB C 43.017 . 1 286 62 40 LEU N N 120.175 . 1 287 63 41 TYR H H 7.642 . 1 288 63 41 TYR HA H 4.778 . 1 289 63 41 TYR HB2 H 3.107 . 2 290 63 41 TYR HB3 H 2.874 . 2 291 63 41 TYR HD1 H 7.12 . 3 292 63 41 TYR HD2 H 7.12 . 3 293 63 41 TYR HE1 H 6.845 . 3 294 63 41 TYR HE2 H 6.845 . 3 295 63 41 TYR CA C 56.394 . 1 296 63 41 TYR CB C 41.935 . 1 297 63 41 TYR N N 117.467 . 1 298 64 42 MET H H 8.734 . 1 299 64 42 MET HA H 4.251 . 1 300 64 42 MET HB2 H 1.861 . 2 301 64 42 MET HB3 H 2.165 . 2 302 64 42 MET HG2 H 2.892 . 2 303 64 42 MET CA C 57.475 . 1 304 64 42 MET CB C 34.646 . 1 305 64 42 MET N N 120.657 . 1 306 65 43 CYS H H 7.873 . 1 307 65 43 CYS HA H 5.259 . 1 308 65 43 CYS HB2 H 3.18 . 2 309 65 43 CYS HB3 H 2.75 . 2 310 65 43 CYS CA C 55.974 . 1 311 65 43 CYS CB C 31.041 . 1 312 65 43 CYS N N 121.398 . 1 313 66 44 LYS HA H 4.589 . 1 314 66 44 LYS HB2 H 1.722 . 2 315 66 44 LYS HE2 H 2.982 . 2 316 66 44 LYS HE3 H 3.07 . 2 317 66 44 LYS CA C 55.894 . 1 318 66 44 LYS CB C 33.972 . 1 319 66 44 LYS CG C 24.844 . 1 320 66 44 LYS CD C 27.428 . 1 321 66 44 LYS CE C 41.89 . 1 322 67 45 THR H H 9.273 . 1 323 67 45 THR HA H 4.898 . 1 324 67 45 THR HB H 3.32 . 1 325 67 45 THR HG2 H 0.902 . 1 326 67 45 THR CA C 62.118 . 1 327 67 45 THR CB C 72.257 . 1 328 67 45 THR CG2 C 21.108 . 1 329 67 45 THR N N 125.283 . 1 330 68 46 VAL H H 8.95 . 1 331 68 46 VAL HA H 4.45 . 1 332 68 46 VAL HB H 1.878 . 1 333 68 46 VAL HG1 H 0.839 . 2 334 68 46 VAL HG2 H 0.77 . 2 335 68 46 VAL CA C 61.571 . 1 336 68 46 VAL CB C 33.099 . 1 337 68 46 VAL CG1 C 21.679 . 2 338 68 46 VAL CG2 C 21.679 . 1 339 68 46 VAL N N 126.615 . 1 340 69 47 VAL H H 9.294 . 1 341 69 47 VAL HA H 4.676 . 1 342 69 47 VAL HB H 2.229 . 1 343 69 47 VAL HG1 H 0.945 . 2 344 69 47 VAL HG2 H 0.738 . 2 345 69 47 VAL CA C 61.864 . 1 346 69 47 VAL CB C 32.509 . 1 347 69 47 VAL CG1 C 23.703 . 2 348 69 47 VAL CG2 C 21.632 . 2 349 69 47 VAL N N 130.74 . 1 350 70 48 ALA H H 9.294 . 1 351 70 48 ALA HB H 1.375 . 1 352 70 48 ALA CA C 49.675 . 1 353 70 48 ALA CB C 21.242 . 1 354 70 48 ALA N N 133.872 . 1 355 71 49 PRO HA H 4.839 . 1 356 71 49 PRO HB2 H 2.391 . 2 357 71 49 PRO HB3 H 1.975 . 2 358 71 49 PRO HG2 H 2.21 . 2 359 71 49 PRO HG3 H 2.053 . 2 360 71 49 PRO HD2 H 3.691 . 2 361 71 49 PRO CA C 62.974 . 1 362 71 49 PRO CB C 32.156 . 1 363 71 49 PRO CG C 27.44 . 1 364 71 49 PRO CD C 49.701 . 1 365 72 50 SER H H 8.068 . 1 366 72 50 SER HA H 4.886 . 1 367 72 50 SER HB2 H 4.14 . 2 368 72 50 SER HB3 H 3.462 . 2 369 72 50 SER CA C 55.428 . 1 370 72 50 SER CB C 65.344 . 1 371 72 50 SER N N 117.88 . 1 372 73 51 THR HA H 4.085 . 1 373 73 51 THR HB H 4.293 . 1 374 73 51 THR HG2 H 1.301 . 1 375 73 51 THR CA C 64.547 . 1 376 73 51 THR CB C 68.767 . 1 377 73 51 THR CG2 C 22.118 . 1 378 74 52 GLU H H 8.173 . 1 379 74 52 GLU HA H 4.434 . 1 380 74 52 GLU HB2 H 2.268 . 2 381 74 52 GLU HB3 H 2.012 . 2 382 74 52 GLU CA C 56.524 . 1 383 74 52 GLU CB C 29.398 . 1 384 74 52 GLU CG C 36.729 . 1 385 74 52 GLU N N 118.344 . 1 386 75 53 GLY H H 7.729 . 1 387 75 53 GLY HA2 H 4.438 . 2 388 75 53 GLY HA3 H 3.863 . 2 389 75 53 GLY CA C 45.558 . 1 390 75 53 GLY N N 106.467 . 1 391 76 54 GLY H H 7.783 . 1 392 76 54 GLY HA2 H 4.693 . 2 393 76 54 GLY HA3 H 4.161 . 2 394 76 54 GLY CA C 44.032 . 1 395 76 54 GLY N N 108.704 . 1 396 77 55 LEU H H 8.34 . 1 397 77 55 LEU HA H 5.139 . 1 398 77 55 LEU HB2 H 1.276 . 2 399 77 55 LEU HB3 H 1.101 . 2 400 77 55 LEU HG H 1.365 . 1 401 77 55 LEU HD1 H 0.765 . 2 402 77 55 LEU HD2 H 0.604 . 2 403 77 55 LEU CA C 53.294 . 1 404 77 55 LEU CB C 47.61 . 1 405 77 55 LEU CD1 C 23.788 . 2 406 77 55 LEU CD2 C 25.338 . 1 407 77 55 LEU N N 120.398 . 1 408 78 56 ASN H H 9.445 . 1 409 78 56 ASN HA H 5.21 . 1 410 78 56 ASN HB2 H 2.455 . 2 411 78 56 ASN CA C 52.3 . 1 412 78 56 ASN CB C 40.931 . 1 413 78 56 ASN N N 120.248 . 1 414 79 57 LEU H H 9.358 . 1 415 79 57 LEU HA H 4.762 . 1 416 79 57 LEU HB2 H 1.678 . 2 417 79 57 LEU HB3 H 1.527 . 2 418 79 57 LEU HG H 1.379 . 1 419 79 57 LEU HD1 H 0.804 . 2 420 79 57 LEU HD2 H 0.757 . 2 421 79 57 LEU CA C 54.354 . 1 422 79 57 LEU CB C 42.985 . 1 423 79 57 LEU CG C 29.517 . 1 424 79 57 LEU CD1 C 25.367 . 2 425 79 57 LEU CD2 C 23.784 . 1 426 79 57 LEU N N 126.987 . 1 427 80 58 THR H H 8.914 . 1 428 80 58 THR HA H 4.952 . 1 429 80 58 THR HB H 4.006 . 1 430 80 58 THR HG2 H 1.078 . 1 431 80 58 THR CA C 62.118 . 1 432 80 58 THR CB C 69.433 . 1 433 80 58 THR CG2 C 22.07 . 1 434 80 58 THR N N 121.691 . 1 435 81 59 SER H H 9.296 . 1 436 81 59 SER HA H 5.658 . 1 437 81 59 SER HB2 H 3.68 . 2 438 81 59 SER CA C 57.74 . 1 439 81 59 SER CB C 65.209 . 1 440 81 59 SER N N 125.899 . 1 441 82 60 THR H H 8.653 . 1 442 82 60 THR HA H 5.302 . 1 443 82 60 THR HB H 3.888 . 1 444 82 60 THR HG2 H 1.085 . 1 445 82 60 THR CA C 61.621 . 1 446 82 60 THR CB C 70.918 . 1 447 82 60 THR CG2 C 21.727 . 1 448 82 60 THR N N 119.772 . 1 449 83 61 PHE H H 8.98 . 1 450 83 61 PHE CA C 54.35 . 1 451 83 61 PHE CB C 36.366 . 1 452 83 61 PHE N N 125.4 . 1 453 86 64 LYS HA H 3.905 . 1 454 86 64 LYS HB2 H 1.884 . 2 455 86 64 LYS CA C 57.949 . 1 456 86 64 LYS CB C 30.791 . 1 457 86 64 LYS CG C 25.401 . 1 458 86 64 LYS CD C 29.022 . 1 459 86 64 LYS CE C 41.907 . 1 460 87 65 ASN H H 8.643 . 1 461 87 65 ASN HA H 4.436 . 1 462 87 65 ASN HB2 H 2.989 . 2 463 87 65 ASN HB3 H 2.896 . 2 464 87 65 ASN CA C 54.32 . 1 465 87 65 ASN CB C 38.361 . 1 466 87 65 ASN N N 113.859 . 1 467 88 66 GLN H H 7.923 . 1 468 88 66 GLN HA H 4.539 . 1 469 88 66 GLN HB2 H 2.339 . 2 470 88 66 GLN HB3 H 2.007 . 2 471 88 66 GLN CA C 54.858 . 1 472 88 66 GLN CB C 31.043 . 1 473 88 66 GLN CG C 33.658 . 1 474 88 66 GLN N N 118.634 . 1 475 89 67 ALA H H 8.513 . 1 476 89 67 ALA HA H 4.739 . 1 477 89 67 ALA HB H 1.258 . 1 478 89 67 ALA CA C 51.961 . 1 479 89 67 ALA CB C 19.645 . 1 480 89 67 ALA N N 126.109 . 1 481 90 68 GLU H H 8.773 . 1 482 90 68 GLU HA H 4.539 . 1 483 90 68 GLU HB2 H 1.878 . 2 484 90 68 GLU HB3 H 1.707 . 2 485 90 68 GLU CA C 55.255 . 1 486 90 68 GLU CB C 32.687 . 1 487 90 68 GLU CG C 28.926 . 1 488 90 68 GLU N N 123.442 . 1 489 91 69 THR H H 8.486 . 1 490 91 69 THR HA H 5.059 . 1 491 91 69 THR HB H 3.941 . 1 492 91 69 THR HG2 H 1.155 . 1 493 91 69 THR CA C 61.572 . 1 494 91 69 THR CB C 70.448 . 1 495 91 69 THR N N 118.05 . 1 496 92 70 LYS H H 8.98 . 1 497 92 70 LYS CA C 54.598 . 1 498 92 70 LYS CB C 35.921 . 1 499 92 70 LYS N N 125.402 . 1 500 93 71 ILE HA H 5.093 . 1 501 93 71 ILE HB H 1.66 . 1 502 93 71 ILE HG12 H 1.491 . 1 503 93 71 ILE HG13 H 1.158 . 1 504 93 71 ILE HG2 H 0.763 . 2 505 93 71 ILE HD1 H 0.796 . 1 506 93 71 ILE CA C 60.524 . 1 507 93 71 ILE CB C 40.353 . 1 508 93 71 ILE CG1 C 27.982 . 2 509 93 71 ILE CG2 C 17.287 . 2 510 93 71 ILE CD1 C 13.919 . 1 511 94 72 MET H H 8.979 . 1 512 94 72 MET HA H 4.781 . 1 513 94 72 MET HB2 H 1.867 . 2 514 94 72 MET CA C 54.371 . 1 515 94 72 MET CB C 36.786 . 1 516 94 72 MET N N 126.824 . 1 517 95 73 VAL H H 8.579 . 1 518 95 73 VAL HA H 4.743 . 1 519 95 73 VAL HB H 2.015 . 1 520 95 73 VAL HG1 H 0.985 . 2 521 95 73 VAL HG2 H 0.959 . 2 522 95 73 VAL CA C 61.996 . 1 523 95 73 VAL CB C 33.624 . 1 524 95 73 VAL CG1 C 21.207 . 2 525 95 73 VAL CG2 C 21.207 . 1 526 95 73 VAL N N 124.47 . 1 527 96 74 LEU H H 9.308 . 1 528 96 74 LEU HA H 5.097 . 1 529 96 74 LEU HB2 H 1.384 . 2 530 96 74 LEU HB3 H 1.155 . 2 531 96 74 LEU HD1 H 0.375 . 4 532 96 74 LEU HD2 H 0.502 . 4 533 96 74 LEU CA C 52.904 . 1 534 96 74 LEU CB C 42.467 . 1 535 96 74 LEU CD1 C 24.302 . 1 536 96 74 LEU CD2 C 24.302 . 1 537 96 74 LEU N N 128.057 . 1 538 97 75 GLN H H 9.393 . 1 539 97 75 GLN HA H 3.825 . 1 540 97 75 GLN CA C 53.143 . 1 541 97 75 GLN CB C 29.299 . 1 542 97 75 GLN N N 125.473 . 1 543 98 76 PRO HA H 4.375 . 1 544 98 76 PRO HB2 H 2.393 . 2 545 98 76 PRO HB3 H 2.057 . 2 546 98 76 PRO HG2 H 2.236 . 2 547 98 76 PRO CA C 63.973 . 1 548 98 76 PRO CB C 32.284 . 1 549 98 76 PRO CG C 26.918 . 1 550 98 76 PRO CD C 50.746 . 1 551 99 77 ALA H H 8.071 . 1 552 99 77 ALA HA H 4.673 . 1 553 99 77 ALA HB H 1.098 . 1 554 99 77 ALA CA C 51.185 . 1 555 99 77 ALA CB C 20.105 . 1 556 99 77 ALA N N 126.806 . 1 557 100 78 GLY H H 8.084 . 1 558 100 78 GLY HA2 H 4.185 . 2 559 100 78 GLY HA3 H 3.588 . 2 560 100 78 GLY CA C 46.065 . 1 561 100 78 GLY N N 108.855 . 1 562 101 79 ALA H H 8.08 . 1 563 101 79 ALA HA H 4.623 . 1 564 101 79 ALA HB H 1.271 . 1 565 101 79 ALA CA C 50.32 . 1 566 101 79 ALA CB C 18.62 . 1 567 101 79 ALA N N 126.853 . 1 568 102 80 PRO HA H 4.404 . 1 569 102 80 PRO HB2 H 2.533 . 2 570 102 80 PRO HB3 H 2.161 . 2 571 102 80 PRO HG2 H 2.057 . 2 572 102 80 PRO HG3 H 1.943 . 2 573 102 80 PRO HD2 H 3.642 . 2 574 102 80 PRO CA C 63.76 . 1 575 102 80 PRO CB C 32.095 . 1 576 102 80 PRO CG C 27.928 . 1 577 102 80 PRO CD C 50.584 . 1 578 103 81 GLY H H 8.129 . 1 579 103 81 GLY HA2 H 3.6 . 2 580 103 81 GLY HA3 H 2.352 . 2 581 103 81 GLY CA C 44.721 . 1 582 103 81 GLY N N 111.317 . 1 583 104 82 HIS H H 7.553 . 1 584 104 82 HIS HA H 5.228 . 1 585 104 82 HIS HB2 H 3.078 . 2 586 104 82 HIS HB3 H 2.743 . 2 587 104 82 HIS HD2 H 6.933 . 3 588 104 82 HIS CA C 54.848 . 1 589 104 82 HIS CB C 31.858 . 1 590 104 82 HIS N N 118.16 . 1 591 105 83 TYR H H 9.204 . 1 592 105 83 TYR HA H 5.446 . 1 593 105 83 TYR HB2 H 3.097 . 2 594 105 83 TYR HB3 H 2.41 . 2 595 105 83 TYR HD1 H 6.595 . 3 596 105 83 TYR HD2 H 6.595 . 3 597 105 83 TYR HE1 H 6.352 . 3 598 105 83 TYR HE2 H 6.352 . 3 599 105 83 TYR CA C 56.881 . 1 600 105 83 TYR CB C 44.526 . 1 601 105 83 TYR N N 122.718 . 1 602 106 84 THR H H 9.414 . 1 603 106 84 THR HA H 5.52 . 1 604 106 84 THR HB H 4.116 . 1 605 106 84 THR HG2 H 1.078 . 1 606 106 84 THR CA C 60.14 . 1 607 106 84 THR CB C 72.457 . 1 608 106 84 THR CG2 C 21.51 . 1 609 106 84 THR N N 111.503 . 1 610 107 85 TYR H H 8.653 . 1 611 107 85 TYR HA H 5.113 . 1 612 107 85 TYR HB2 H 2.915 . 2 613 107 85 TYR HD1 H 6.741 . 3 614 107 85 TYR HD2 H 6.741 . 3 615 107 85 TYR CA C 56.401 . 1 616 107 85 TYR CB C 41.426 . 1 617 107 85 TYR N N 117.531 . 1 618 108 86 SER HA H 4.54 . 1 619 108 86 SER HB2 H 3.539 . 2 620 108 86 SER CA C 56.095 . 1 621 108 86 SER CB C 63.172 . 1 622 109 87 SER H H 8.404 . 1 623 109 87 SER HA H 4.344 . 1 624 109 87 SER HB2 H 3.65 . 2 625 109 87 SER HB3 H 3.293 . 2 626 109 87 SER CA C 55.352 . 1 627 109 87 SER CB C 63.211 . 1 628 109 87 SER N N 121.245 . 1 629 110 88 PRO HA H 4.37 . 1 630 110 88 PRO HB2 H 2.235 . 2 631 110 88 PRO HB3 H 1.661 . 2 632 110 88 PRO CA C 60.447 . 1 633 110 88 PRO CB C 29.237 . 1 634 111 89 HIS H H 7.904 . 1 635 111 89 HIS N N 115.799 . 1 636 112 90 SER HA H 4.485 . 1 637 112 90 SER HB2 H 4.008 . 2 638 112 90 SER HB3 H 3.746 . 2 639 112 90 SER CA C 57.944 . 1 640 112 90 SER CB C 65.553 . 1 641 113 91 GLY H H 8.006 . 1 642 113 91 GLY HA2 H 4.076 . 2 643 113 91 GLY HA3 H 3.76 . 2 644 113 91 GLY CA C 45.916 . 1 645 113 91 GLY N N 111.317 . 1 646 114 92 SER H H 7.692 . 1 647 114 92 SER HA H 4.45 . 1 648 114 92 SER HB2 H 3.698 . 2 649 114 92 SER HB3 H 3.545 . 2 650 114 92 SER CA C 58.519 . 1 651 114 92 SER CB C 64.772 . 1 652 114 92 SER N N 115.617 . 1 653 115 93 ILE H H 8.385 . 1 654 115 93 ILE HA H 4.486 . 1 655 115 93 ILE HB H 1.731 . 1 656 115 93 ILE HG2 H 0.779 . 2 657 115 93 ILE HD1 H 0.865 . 1 658 115 93 ILE CA C 60.084 . 1 659 115 93 ILE CB C 37.813 . 1 660 115 93 ILE CG1 C 27.398 . 2 661 115 93 ILE CG2 C 17.076 . 2 662 115 93 ILE CD1 C 11.871 . 1 663 115 93 ILE N N 122.907 . 1 664 116 94 HIS H H 9.031 . 1 665 116 94 HIS HA H 5.269 . 1 666 116 94 HIS HB2 H 2.759 . 2 667 116 94 HIS HD2 H 6.519 . 3 668 116 94 HIS CA C 52.815 . 1 669 116 94 HIS CB C 33.675 . 1 670 116 94 HIS N N 128.488 . 1 671 117 95 SER H H 8.994 . 1 672 117 95 SER HA H 5.167 . 1 673 117 95 SER HB2 H 3.884 . 2 674 117 95 SER HB3 H 3.839 . 2 675 117 95 SER CA C 56.975 . 1 676 117 95 SER CB C 64.816 . 1 677 117 95 SER N N 115.768 . 1 678 118 96 VAL H H 9.256 . 1 679 118 96 VAL HA H 5.218 . 1 680 118 96 VAL HB H 2.066 . 1 681 118 96 VAL HG1 H 0.886 . 4 682 118 96 VAL HG2 H 0.843 . 4 683 118 96 VAL CA C 60.508 . 1 684 118 96 VAL CB C 35.167 . 1 685 118 96 VAL CG1 C 21.731 . 2 686 118 96 VAL CG2 C 20.677 . 1 687 118 96 VAL N N 125.004 . 1 688 119 97 SER H H 8.879 . 1 689 119 97 SER HA H 5.628 . 1 690 119 97 SER HB2 H 3.709 . 2 691 119 97 SER HB3 H 3.612 . 2 692 119 97 SER CA C 56.314 . 1 693 119 97 SER CB C 65.709 . 1 694 119 97 SER N N 121.425 . 1 695 120 98 VAL H H 8.379 . 1 696 120 98 VAL HA H 3.969 . 1 697 120 98 VAL HB H 1.369 . 1 698 120 98 VAL HG1 H 0.433 . 4 699 120 98 VAL HG2 H 0.149 . 4 700 120 98 VAL CA C 62.331 . 1 701 120 98 VAL CB C 29.322 . 1 702 120 98 VAL CG1 C 21.577 . 2 703 120 98 VAL CG2 C 18.605 . 1 704 120 98 VAL N N 124.551 . 1 705 121 99 VAL H H 8.355 . 1 706 121 99 VAL HA H 3.703 . 1 707 121 99 VAL HB H 1.653 . 1 708 121 99 VAL HG1 H 0.933 . 4 709 121 99 VAL HG2 H 0.851 . 4 710 121 99 VAL CA C 65.221 . 1 711 121 99 VAL CB C 32.595 . 1 712 121 99 VAL CG1 C 22.231 . 1 713 121 99 VAL CG2 C 21.402 . 1 714 121 99 VAL N N 129.084 . 1 715 122 100 GLU H H 7.221 . 1 716 122 100 GLU HA H 4.763 . 1 717 122 100 GLU HB2 H 1.974 . 2 718 122 100 GLU HB3 H 1.847 . 2 719 122 100 GLU HG2 H 2.314 . 2 720 122 100 GLU HG3 H 2.103 . 2 721 122 100 GLU CA C 54.864 . 1 722 122 100 GLU CB C 34.164 . 1 723 122 100 GLU CG C 36.748 . 1 724 122 100 GLU N N 113.89 . 1 725 123 101 ALA H H 8.714 . 1 726 123 101 ALA HA H 4.358 . 1 727 123 101 ALA HB H 0.925 . 1 728 123 101 ALA CA C 52.238 . 1 729 123 101 ALA CB C 21.63 . 1 730 123 101 ALA N N 124.458 . 1 731 125 103 TYR H H 8.976 . 1 732 125 103 TYR HA H 5.038 . 1 733 125 103 TYR HB2 H 3.122 . 2 734 125 103 TYR HD1 H 7.148 . 3 735 125 103 TYR HD2 H 7.148 . 3 736 125 103 TYR CA C 56.156 . 1 737 125 103 TYR CB C 40.991 . 1 738 125 103 TYR N N 125.383 . 1 739 126 104 ASP H H 8.553 . 1 740 126 104 ASP HA H 4.906 . 1 741 126 104 ASP HB2 H 1.709 . 2 742 126 104 ASP HB3 H 1.384 . 2 743 126 104 ASP CA C 54.489 . 1 744 126 104 ASP CB C 43.174 . 1 745 126 104 ASP N N 122.499 . 1 746 127 105 GLU H H 8.528 . 1 747 127 105 GLU CA C 55.631 . 1 748 127 105 GLU CB C 32.278 . 1 749 127 105 GLU N N 123.721 . 1 750 128 106 TYR HA H 4.072 . 1 751 128 106 TYR HB2 H 3.25 . 2 752 128 106 TYR HD1 H 6.922 . 3 753 128 106 TYR HD2 H 6.922 . 3 754 129 107 ALA H H 8.983 . 1 755 129 107 ALA HA H 4.726 . 1 756 129 107 ALA HB H 0.93 . 1 757 129 107 ALA CA C 51.642 . 1 758 129 107 ALA CB C 22.742 . 1 759 129 107 ALA N N 120.097 . 1 760 130 108 LEU H H 8.931 . 1 761 130 108 LEU HA H 5.207 . 1 762 130 108 LEU HB2 H 1.249 . 2 763 130 108 LEU HB3 H 1.109 . 2 764 130 108 LEU HG H 1.377 . 1 765 130 108 LEU HD1 H 0.688 . 4 766 130 108 LEU HD2 H 0.505 . 4 767 130 108 LEU CA C 53.808 . 1 768 130 108 LEU CB C 44.416 . 1 769 130 108 LEU CG C 27.928 . 1 770 130 108 LEU CD1 C 24.871 . 2 771 130 108 LEU CD2 C 24.871 . 1 772 130 108 LEU N N 123.011 . 1 773 131 109 LEU H H 9.238 . 1 774 131 109 LEU HA H 5.386 . 1 775 131 109 LEU HB2 H 1.444 . 2 776 131 109 LEU HD1 H 0.425 . 2 777 131 109 LEU HD2 H 0.372 . 2 778 131 109 LEU CA C 54.332 . 1 779 131 109 LEU CB C 44.512 . 1 780 131 109 LEU CD1 C 25.856 . 1 781 131 109 LEU CD2 C 24.302 . 1 782 131 109 LEU N N 126.253 . 1 783 132 110 PHE H H 9.025 . 1 784 132 110 PHE HA H 5.685 . 1 785 132 110 PHE HB2 H 3.09 . 2 786 132 110 PHE HB3 H 2.988 . 2 787 132 110 PHE HD1 H 7.25 . 3 788 132 110 PHE HD2 H 7.25 . 3 789 132 110 PHE HE2 H 6.681 . 3 790 132 110 PHE CA C 56.227 . 1 791 132 110 PHE CB C 43.317 . 1 792 132 110 PHE N N 120.248 . 1 793 133 111 SER H H 9.2 . 1 794 133 111 SER HA H 5.719 . 1 795 133 111 SER HB2 H 3.719 . 2 796 133 111 SER CA C 55.917 . 1 797 133 111 SER CB C 65.941 . 1 798 133 111 SER N N 125.589 . 1 799 134 112 ARG H H 8.532 . 1 800 134 112 ARG HA H 5.074 . 1 801 134 112 ARG HB2 H 1.745 . 2 802 134 112 ARG CA C 53.371 . 1 803 134 112 ARG CB C 34.165 . 1 804 134 112 ARG CG C 26.404 . 1 805 134 112 ARG CD C 43.491 . 1 806 134 112 ARG N N 120.097 . 1 807 135 113 GLY H H 8.056 . 1 808 135 113 GLY HA2 H 4.381 . 2 809 135 113 GLY HA3 H 4.07 . 2 810 135 113 GLY CA C 45.266 . 1 811 135 113 GLY N N 108.111 . 1 812 136 114 THR H H 8.488 . 1 813 136 114 THR HA H 4.658 . 1 814 136 114 THR HB H 4.244 . 1 815 136 114 THR HG2 H 1.205 . 1 816 136 114 THR CA C 61.119 . 1 817 136 114 THR CB C 70.867 . 1 818 136 114 THR CG2 C 21.709 . 1 819 136 114 THR N N 112.23 . 1 820 137 115 LYS H H 8.128 . 1 821 137 115 LYS HA H 4.43 . 1 822 137 115 LYS HB2 H 1.81 . 2 823 137 115 LYS HD2 H 1.69 . 2 824 137 115 LYS HE2 H 2.972 . 2 825 137 115 LYS CA C 56.412 . 1 826 137 115 LYS CB C 34.085 . 1 827 137 115 LYS CD C 29.428 . 1 828 137 115 LYS N N 121.279 . 1 829 138 116 GLY H H 8.52 . 1 830 138 116 GLY HA2 H 3.856 . 2 831 138 116 GLY HA3 H 4.539 . 2 832 138 116 GLY CA C 44.54 . 1 833 138 116 GLY N N 112.462 . 1 834 139 117 PRO HA H 4.397 . 1 835 139 117 PRO HB2 H 2.363 . 2 836 139 117 PRO HB3 H 1.951 . 2 837 139 117 PRO CA C 64.14 . 1 838 139 117 PRO CB C 32.051 . 1 839 139 117 PRO CG C 27.41 . 1 840 139 117 PRO CD C 49.941 . 1 841 140 118 GLY H H 8.772 . 1 842 140 118 GLY HA2 H 4.238 . 2 843 140 118 GLY HA3 H 3.966 . 2 844 140 118 GLY CA C 46.035 . 1 845 140 118 GLY N N 109.785 . 1 846 141 119 GLN H H 7.908 . 1 847 141 119 GLN HA H 4.011 . 1 848 141 119 GLN HB2 H 2.241 . 2 849 141 119 GLN HB3 H 2.031 . 2 850 141 119 GLN CA C 57.733 . 1 851 141 119 GLN CB C 29.133 . 1 852 141 119 GLN N N 119.393 . 1 853 142 120 ASP H H 8.479 . 1 854 142 120 ASP HA H 4.643 . 1 855 142 120 ASP HB2 H 2.736 . 2 856 142 120 ASP HB3 H 2.604 . 2 857 142 120 ASP CA C 54.318 . 1 858 142 120 ASP CB C 40.894 . 1 859 142 120 ASP N N 118.316 . 1 860 143 121 PHE H H 8.005 . 1 861 143 121 PHE HA H 4.457 . 1 862 143 121 PHE HB2 H 3.256 . 2 863 143 121 PHE HB3 H 2.537 . 2 864 143 121 PHE HD1 H 6.716 . 3 865 143 121 PHE HD2 H 6.716 . 3 866 143 121 PHE CA C 59.208 . 1 867 143 121 PHE CB C 39.852 . 1 868 143 121 PHE N N 122.474 . 1 869 144 122 ARG H H 7.962 . 1 870 144 122 ARG HA H 4.626 . 1 871 144 122 ARG HB2 H 1.537 . 2 872 144 122 ARG HD2 H 3.881 . 2 873 144 122 ARG CA C 54.35 . 1 874 144 122 ARG CB C 34.681 . 1 875 144 122 ARG CG C 28.445 . 1 876 144 122 ARG CD C 40.904 . 1 877 144 122 ARG N N 126.739 . 1 878 145 123 MET H H 8.392 . 1 879 145 123 MET HA H 5.113 . 1 880 145 123 MET HB2 H 1.849 . 2 881 145 123 MET HB3 H 1.781 . 2 882 145 123 MET HG2 H 2.302 . 2 883 145 123 MET HG3 H 2.209 . 2 884 145 123 MET HE H 1.701 . 1 885 145 123 MET CA C 55.103 . 1 886 145 123 MET CB C 38.096 . 1 887 145 123 MET CG C 32.08 . 1 888 145 123 MET CE C 18.424 . 1 889 145 123 MET N N 121.55 . 1 890 146 124 ALA H H 9.819 . 1 891 146 124 ALA HA H 5.776 . 1 892 146 124 ALA HB H 1.564 . 1 893 146 124 ALA CA C 50.19 . 1 894 146 124 ALA CB C 22.748 . 1 895 146 124 ALA N N 132.151 . 1 896 147 125 THR H H 9.164 . 1 897 147 125 THR HA H 4.903 . 1 898 147 125 THR HB H 3.656 . 1 899 147 125 THR HG2 H 0.92 . 1 900 147 125 THR CA C 62.673 . 1 901 147 125 THR CB C 71.463 . 1 902 147 125 THR CG2 C 21.717 . 1 903 147 125 THR N N 118.814 . 1 904 148 126 LEU H H 8.369 . 1 905 148 126 LEU HA H 5.059 . 1 906 148 126 LEU HB2 H 0.966 . 2 907 148 126 LEU HB3 H 0.372 . 2 908 148 126 LEU HD1 H 0.966 . 2 909 148 126 LEU HD2 H 0.683 . 2 910 148 126 LEU CA C 52.828 . 1 911 148 126 LEU CB C 42.652 . 1 912 148 126 LEU CD1 C 23.938 . 2 913 148 126 LEU CD2 C 26.91 . 1 914 148 126 LEU N N 128.163 . 1 915 149 127 TYR H H 9.334 . 1 916 149 127 TYR HA H 5.735 . 1 917 149 127 TYR HB2 H 2.951 . 2 918 149 127 TYR HB3 H 2.371 . 2 919 149 127 TYR HD2 H 6.604 . 3 920 149 127 TYR HE1 H 6.238 . 3 921 149 127 TYR HE2 H 6.238 . 3 922 149 127 TYR CA C 54.35 . 1 923 149 127 TYR CB C 40.085 . 1 924 149 127 TYR N N 128.481 . 1 925 150 128 SER H H 9.606 . 1 926 150 128 SER HA H 5.945 . 1 927 150 128 SER HB2 H 3.81 . 2 928 150 128 SER HB3 H 3.799 . 2 929 150 128 SER CA C 55.354 . 1 930 150 128 SER CB C 65.974 . 1 931 150 128 SER N N 113.046 . 1 932 151 129 ARG H H 8.695 . 1 933 151 129 ARG HA H 4.1 . 1 934 151 129 ARG HB2 H 2.028 . 2 935 151 129 ARG HB3 H 1.879 . 2 936 151 129 ARG HD2 H 2.986 . 2 937 151 129 ARG CA C 57.177 . 1 938 151 129 ARG CB C 31.008 . 1 939 151 129 ARG CG C 28.433 . 1 940 151 129 ARG CD C 41.413 . 1 941 151 129 ARG N N 126.259 . 1 942 152 130 THR H H 8.216 . 1 943 152 130 THR HA H 4.796 . 1 944 152 130 THR HB H 4.459 . 1 945 152 130 THR HG2 H 1.249 . 1 946 152 130 THR CA C 59.547 . 1 947 152 130 THR CB C 71.244 . 1 948 152 130 THR CG2 C 21.243 . 1 949 152 130 THR N N 108.284 . 1 950 153 131 GLN H H 8.647 . 1 951 153 131 GLN HA H 3.744 . 1 952 153 131 GLN HB2 H 2.323 . 2 953 153 131 GLN HB3 H 1.892 . 2 954 153 131 GLN HG2 H 2.113 . 2 955 153 131 GLN HG3 H 2.042 . 2 956 153 131 GLN CA C 57.383 . 1 957 153 131 GLN CB C 28.978 . 1 958 153 131 GLN CG C 33.655 . 1 959 153 131 GLN N N 118.718 . 1 960 154 132 THR H H 7.275 . 1 961 154 132 THR HA H 4.278 . 1 962 154 132 THR HB H 4.142 . 1 963 154 132 THR HG2 H 1.088 . 1 964 154 132 THR CA C 60.622 . 1 965 154 132 THR CB C 69.878 . 1 966 154 132 THR CG2 C 21.704 . 1 967 154 132 THR N N 109.451 . 1 968 155 133 LEU H H 8.525 . 1 969 155 133 LEU HA H 4.54 . 1 970 155 133 LEU HB2 H 1.298 . 2 971 155 133 LEU HB3 H 1.324 . 2 972 155 133 LEU HD1 H 0.64 . 4 973 155 133 LEU HD2 H 0.573 . 4 974 155 133 LEU CA C 53.296 . 1 975 155 133 LEU CB C 44.538 . 1 976 155 133 LEU CD1 C 23.783 . 1 977 155 133 LEU CD2 C 25.856 . 1 978 155 133 LEU N N 124.459 . 1 979 156 134 LYS H H 8.241 . 1 980 156 134 LYS HA H 4.344 . 1 981 156 134 LYS HB2 H 2.087 . 2 982 156 134 LYS HB3 H 1.736 . 2 983 156 134 LYS HG2 H 1.57 . 2 984 156 134 LYS HE2 H 2.986 . 2 985 156 134 LYS CA C 55.899 . 1 986 156 134 LYS CB C 33.622 . 1 987 156 134 LYS CG C 25.343 . 1 988 156 134 LYS CD C 29.409 . 1 989 156 134 LYS CE C 41.895 . 1 990 156 134 LYS N N 124.233 . 1 991 157 135 ASP H H 8.94 . 1 992 157 135 ASP HA H 4.111 . 1 993 157 135 ASP HB2 H 2.655 . 2 994 157 135 ASP HB3 H 2.56 . 2 995 157 135 ASP CA C 58.465 . 1 996 157 135 ASP CB C 39.991 . 1 997 157 135 ASP N N 124.547 . 1 998 158 136 GLU H H 9.535 . 1 999 158 136 GLU HA H 4.124 . 1 1000 158 136 GLU HB2 H 2.022 . 2 1001 158 136 GLU CA C 59.524 . 1 1002 158 136 GLU CB C 29.007 . 1 1003 158 136 GLU CG C 36.236 . 1 1004 158 136 GLU N N 118.327 . 1 1005 159 137 LEU H H 7.248 . 1 1006 159 137 LEU HA H 4.083 . 1 1007 159 137 LEU HB2 H 1.752 . 2 1008 159 137 LEU HB3 H 1.466 . 2 1009 159 137 LEU HD1 H 0.698 . 4 1010 159 137 LEU HD2 H 0.49 . 4 1011 159 137 LEU CA C 56.34 . 1 1012 159 137 LEU CB C 41.851 . 1 1013 159 137 LEU CD1 C 24.302 . 1 1014 159 137 LEU CD2 C 23.784 . 1 1015 159 137 LEU N N 119.829 . 1 1016 160 138 LYS H H 7.391 . 1 1017 160 138 LYS HA H 3.97 . 1 1018 160 138 LYS HB2 H 1.797 . 2 1019 160 138 LYS HB3 H 1.49 . 2 1020 160 138 LYS CA C 60.535 . 1 1021 160 138 LYS CB C 31.57 . 1 1022 160 138 LYS CG C 25.863 . 1 1023 160 138 LYS CD C 28.967 . 1 1024 160 138 LYS CE C 41.4 . 1 1025 160 138 LYS N N 119.824 . 1 1026 161 139 GLU H H 7.875 . 1 1027 161 139 GLU HA H 4.085 . 1 1028 161 139 GLU HB2 H 2.055 . 2 1029 161 139 GLU CA C 59.378 . 1 1030 161 139 GLU CB C 29.157 . 1 1031 161 139 GLU N N 119.749 . 1 1032 162 140 LYS H H 7.807 . 1 1033 162 140 LYS HA H 4.065 . 1 1034 162 140 LYS HB2 H 2.022 . 2 1035 162 140 LYS HB3 H 1.822 . 2 1036 162 140 LYS CA C 59.523 . 1 1037 162 140 LYS CB C 32.075 . 1 1038 162 140 LYS CG C 23.784 . 1 1039 162 140 LYS N N 120.548 . 1 1040 163 141 PHE H H 8.576 . 1 1041 163 141 PHE HA H 4.38 . 1 1042 163 141 PHE HB2 H 3.351 . 2 1043 163 141 PHE HD1 H 7.191 . 3 1044 163 141 PHE CA C 61.588 . 1 1045 163 141 PHE CB C 39.837 . 1 1046 163 141 PHE N N 119.115 . 1 1047 164 142 THR H H 8.791 . 1 1048 164 142 THR CA C 68.307 . 1 1049 164 142 THR N N 120.168 . 1 1050 165 143 THR H H 8.586 . 1 1051 165 143 THR HA H 3.736 . 1 1052 165 143 THR HB H 4.23 . 1 1053 165 143 THR HG2 H 1.24 . 1 1054 165 143 THR CA C 66.785 . 1 1055 165 143 THR CB C 68.632 . 1 1056 165 143 THR CG2 C 21.713 . 1 1057 165 143 THR N N 118.62 . 1 1058 166 144 PHE H H 8.328 . 1 1059 166 144 PHE HA H 4.12 . 1 1060 166 144 PHE HB2 H 3.282 . 2 1061 166 144 PHE HB3 H 2.865 . 2 1062 166 144 PHE HD1 H 7.041 . 3 1063 166 144 PHE HD2 H 7.041 . 3 1064 166 144 PHE HE1 H 7.247 . 3 1065 166 144 PHE HE2 H 7.247 . 3 1066 166 144 PHE HZ H 6.84 . 1 1067 166 144 PHE CA C 61.515 . 1 1068 166 144 PHE CB C 39.766 . 1 1069 166 144 PHE N N 122.711 . 1 1070 167 145 SER H H 8.073 . 1 1071 167 145 SER HA H 3.284 . 1 1072 167 145 SER HB2 H 3.548 . 2 1073 167 145 SER HB3 H 3.028 . 2 1074 167 145 SER CA C 64.143 . 1 1075 167 145 SER CB C 62.026 . 1 1076 167 145 SER N N 115.684 . 1 1077 168 146 LYS H H 8.003 . 1 1078 168 146 LYS HA H 4.393 . 1 1079 168 146 LYS HB2 H 1.728 . 2 1080 168 146 LYS CA C 58.739 . 1 1081 168 146 LYS CB C 32.071 . 1 1082 168 146 LYS CG C 25.857 . 1 1083 168 146 LYS CD C 29.481 . 1 1084 168 146 LYS CE C 41.392 . 1 1085 168 146 LYS N N 121.398 . 1 1086 169 147 ALA H H 7.731 . 1 1087 169 147 ALA HA H 4.039 . 1 1088 169 147 ALA HB H 1.309 . 1 1089 169 147 ALA CA C 54.237 . 1 1090 169 147 ALA CB C 17.065 . 1 1091 169 147 ALA N N 123.341 . 1 1092 170 148 GLN H H 7.04 . 1 1093 170 148 GLN HA H 4.149 . 1 1094 170 148 GLN HB2 H 2.044 . 2 1095 170 148 GLN CA C 53.204 . 1 1096 170 148 GLN CB C 26.888 . 1 1097 170 148 GLN CG C 31.036 . 1 1098 170 148 GLN N N 113.822 . 1 1099 171 149 GLY H H 7.626 . 1 1100 171 149 GLY HA2 H 4.05 . 2 1101 171 149 GLY HA3 H 3.584 . 2 1102 171 149 GLY CA C 45.556 . 1 1103 171 149 GLY N N 105.959 . 1 1104 172 150 LEU H H 7.347 . 1 1105 172 150 LEU HA H 4.552 . 1 1106 172 150 LEU HB2 H 1.278 . 2 1107 172 150 LEU HD1 H 0.578 . 2 1108 172 150 LEU HD2 H 0.641 . 2 1109 172 150 LEU CA C 53.661 . 1 1110 172 150 LEU CB C 40.731 . 1 1111 172 150 LEU CD1 C 25.338 . 1 1112 172 150 LEU CD2 C 23.78 . 1 1113 172 150 LEU N N 121.113 . 1 1114 173 151 THR H H 9.003 . 1 1115 173 151 THR HA H 4.539 . 1 1116 173 151 THR HB H 4.489 . 1 1117 173 151 THR HG2 H 1.193 . 1 1118 173 151 THR CA C 60.648 . 1 1119 173 151 THR CB C 71.933 . 1 1120 173 151 THR CG2 C 21.586 . 1 1121 173 151 THR N N 111.822 . 1 1122 174 152 GLU H H 9.098 . 1 1123 174 152 GLU HA H 3.862 . 1 1124 174 152 GLU HB2 H 2.055 . 2 1125 174 152 GLU HG2 H 2.384 . 2 1126 174 152 GLU HG3 H 2.301 . 2 1127 174 152 GLU CA C 60.526 . 1 1128 174 152 GLU CB C 29.368 . 1 1129 174 152 GLU CG C 37.233 . 1 1130 174 152 GLU N N 118.631 . 1 1131 175 153 GLU H H 8.133 . 1 1132 175 153 GLU HA H 4.174 . 1 1133 175 153 GLU HB2 H 2.325 . 2 1134 175 153 GLU HB3 H 2.274 . 2 1135 175 153 GLU CA C 58.593 . 1 1136 175 153 GLU CB C 29.508 . 1 1137 175 153 GLU CG C 36.723 . 1 1138 175 153 GLU N N 116.231 . 1 1139 176 154 ASP H H 7.833 . 1 1140 176 154 ASP HA H 4.788 . 1 1141 176 154 ASP HB2 H 2.888 . 2 1142 176 154 ASP HB3 H 2.638 . 2 1143 176 154 ASP CA C 54.359 . 1 1144 176 154 ASP CB C 42.873 . 1 1145 176 154 ASP N N 118.696 . 1 1146 177 155 ILE H H 6.952 . 1 1147 177 155 ILE HA H 4.321 . 1 1148 177 155 ILE HB H 1.705 . 1 1149 177 155 ILE HG12 H 1.279 . 1 1150 177 155 ILE HG2 H 0.704 . 2 1151 177 155 ILE HD1 H 0.533 . 1 1152 177 155 ILE CA C 61.689 . 1 1153 177 155 ILE CB C 40.442 . 1 1154 177 155 ILE CG2 C 16.016 . 1 1155 177 155 ILE N N 117.379 . 1 1156 178 156 VAL H H 9.215 . 1 1157 178 156 VAL HA H 4.541 . 1 1158 178 156 VAL HB H 2.078 . 1 1159 178 156 VAL HG1 H 0.971 . 4 1160 178 156 VAL CA C 60.608 . 1 1161 178 156 VAL CB C 36.213 . 1 1162 178 156 VAL CG1 C 21.713 . 2 1163 178 156 VAL N N 126.105 . 1 1164 179 157 PHE H H 8.71 . 1 1165 179 157 PHE HA H 5.008 . 1 1166 179 157 PHE HB2 H 3.162 . 2 1167 179 157 PHE HB3 H 2.907 . 2 1168 179 157 PHE HD1 H 7.281 . 3 1169 179 157 PHE HD2 H 7.281 . 3 1170 179 157 PHE CA C 58.482 . 1 1171 179 157 PHE CB C 38.28 . 1 1172 179 157 PHE N N 124.9 . 1 1173 180 158 LEU H H 7.457 . 1 1174 180 158 LEU HA H 4.226 . 1 1175 180 158 LEU HB2 H 1.696 . 2 1176 180 158 LEU HB3 H 1.372 . 2 1177 180 158 LEU CA C 53.165 . 1 1178 180 158 LEU CB C 41.376 . 1 1179 180 158 LEU N N 125.771 . 1 1180 181 159 PRO HA H 4.755 . 1 1181 181 159 PRO HB2 H 2.352 . 2 1182 181 159 PRO HB3 H 2.119 . 2 1183 181 159 PRO CA C 62.024 . 1 1184 181 159 PRO CB C 32.599 . 1 1185 181 159 PRO CG C 26.853 . 1 1186 181 159 PRO CD C 51.134 . 1 1187 182 160 GLN H H 8.718 . 1 1188 182 160 GLN HA H 4.589 . 1 1189 182 160 GLN HB2 H 2.067 . 2 1190 182 160 GLN HB3 H 2.038 . 2 1191 182 160 GLN CA C 55.952 . 1 1192 182 160 GLN CB C 29.287 . 1 1193 182 160 GLN CG C 33.666 . 1 1194 182 160 GLN N N 120.397 . 1 1195 183 161 PRO HA H 4.232 . 1 1196 183 161 PRO HB2 H 1.837 . 2 1197 183 161 PRO HB3 H 1.36 . 2 1198 183 161 PRO CA C 63.096 . 1 1199 183 161 PRO CB C 32.012 . 1 1200 183 161 PRO CG C 27.449 . 1 1201 183 161 PRO CD C 50.662 . 1 1202 184 162 ASP H H 8.165 . 1 1203 184 162 ASP HA H 4.436 . 1 1204 184 162 ASP HB2 H 2.63 . 2 1205 184 162 ASP CA C 54.896 . 1 1206 184 162 ASP CB C 41.407 . 1 1207 184 162 ASP N N 119.652 . 1 1208 185 163 LYS H H 7.938 . 1 1209 185 163 LYS HA H 4.339 . 1 1210 185 163 LYS HB2 H 1.797 . 2 1211 185 163 LYS HB3 H 1.729 . 2 1212 185 163 LYS HG2 H 1.666 . 2 1213 185 163 LYS HG3 H 1.406 . 2 1214 185 163 LYS HE2 H 2.981 . 2 1215 185 163 LYS CA C 56.432 . 1 1216 185 163 LYS CB C 33.051 . 1 1217 185 163 LYS CG C 24.762 . 1 1218 185 163 LYS CD C 28.945 . 1 1219 185 163 LYS CE C 41.926 . 1 1220 185 163 LYS N N 120.351 . 1 1221 186 164 ALA H H 8.199 . 1 1222 186 164 ALA HA H 4.127 . 1 1223 186 164 ALA HB H 1.347 . 1 1224 186 164 ALA CA C 52.718 . 1 1225 186 164 ALA CB C 19.153 . 1 1226 186 164 ALA N N 123.851 . 1 1227 187 165 ILE H H 8.052 . 1 1228 187 165 ILE HA H 4.122 . 1 1229 187 165 ILE HB H 1.856 . 1 1230 187 165 ILE HG12 H 1.468 . 1 1231 187 165 ILE HG13 H 1.183 . 1 1232 187 165 ILE HG2 H 0.945 . 2 1233 187 165 ILE HD1 H 0.841 . 1 1234 187 165 ILE CA C 61.092 . 1 1235 187 165 ILE CB C 38.753 . 1 1236 187 165 ILE CG2 C 22.525 . 2 1237 187 165 ILE CD1 C 12.987 . 1 1238 187 165 ILE N N 119.519 . 1 1239 188 166 GLN H H 8.31 . 1 1240 188 166 GLN HA H 4.347 . 1 1241 188 166 GLN HB2 H 2.057 . 2 1242 188 166 GLN HB3 H 1.953 . 2 1243 188 166 GLN HG2 H 2.34 . 2 1244 188 166 GLN CA C 55.833 . 1 1245 188 166 GLN CB C 29.938 . 1 1246 188 166 GLN N N 125.073 . 1 1247 189 167 GLU H H 8.077 . 1 1248 189 167 GLU CA C 57.915 . 1 1249 189 167 GLU CB C 31.499 . 1 1250 189 167 GLU N N 128.436 . 1 stop_ save_