data_19945 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; holo FldA ; _BMRB_accession_number 19945 _BMRB_flat_file_name bmr19945.str _Entry_type original _Submission_date 2014-04-27 _Accession_date 2014-04-27 _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 Jin Changwen . . 2 Hu Yunfei . . 3 Ye Qian . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 927 "13C chemical shifts" 739 "15N chemical shifts" 184 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-05-18 original BMRB . stop_ _Original_release_date 2015-05-18 save_ ############################# # Citation for this entry # ############################# save_holo_FldA _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR study of YqcA from Escherichia coli ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jin Changwen . . 2 Hu Yunfei . . 3 Ye Qian . . stop_ _Journal_abbreviation 'Biochem. J.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'FldA in complex with flavin' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 'FLAVIN MONONUCLEOTIDE' $entity_FMN 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 19755.035 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 176 _Mol_residue_sequence ; MAITGIFFGSDTGNTENIAK MIQKQLGKDVADVHDIAKSS KEDLEAYDILLLGIPTWYYG EAQCDWDDFFPTLEEIDFNG KLVALFGCGDQEDYAEYFCD ALGTIRDIIEPRGATIVGHW PTAGYHFEASKGLADDDHFV GLAIDEDRQPELTAERVEKW VKQISEELHLDEILNA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ALA 3 3 ILE 4 4 THR 5 5 GLY 6 6 ILE 7 7 PHE 8 8 PHE 9 9 GLY 10 10 SER 11 11 ASP 12 12 THR 13 13 GLY 14 14 ASN 15 15 THR 16 16 GLU 17 17 ASN 18 18 ILE 19 19 ALA 20 20 LYS 21 21 MET 22 22 ILE 23 23 GLN 24 24 LYS 25 25 GLN 26 26 LEU 27 27 GLY 28 28 LYS 29 29 ASP 30 30 VAL 31 31 ALA 32 32 ASP 33 33 VAL 34 34 HIS 35 35 ASP 36 36 ILE 37 37 ALA 38 38 LYS 39 39 SER 40 40 SER 41 41 LYS 42 42 GLU 43 43 ASP 44 44 LEU 45 45 GLU 46 46 ALA 47 47 TYR 48 48 ASP 49 49 ILE 50 50 LEU 51 51 LEU 52 52 LEU 53 53 GLY 54 54 ILE 55 55 PRO 56 56 THR 57 57 TRP 58 58 TYR 59 59 TYR 60 60 GLY 61 61 GLU 62 62 ALA 63 63 GLN 64 64 CYS 65 65 ASP 66 66 TRP 67 67 ASP 68 68 ASP 69 69 PHE 70 70 PHE 71 71 PRO 72 72 THR 73 73 LEU 74 74 GLU 75 75 GLU 76 76 ILE 77 77 ASP 78 78 PHE 79 79 ASN 80 80 GLY 81 81 LYS 82 82 LEU 83 83 VAL 84 84 ALA 85 85 LEU 86 86 PHE 87 87 GLY 88 88 CYS 89 89 GLY 90 90 ASP 91 91 GLN 92 92 GLU 93 93 ASP 94 94 TYR 95 95 ALA 96 96 GLU 97 97 TYR 98 98 PHE 99 99 CYS 100 100 ASP 101 101 ALA 102 102 LEU 103 103 GLY 104 104 THR 105 105 ILE 106 106 ARG 107 107 ASP 108 108 ILE 109 109 ILE 110 110 GLU 111 111 PRO 112 112 ARG 113 113 GLY 114 114 ALA 115 115 THR 116 116 ILE 117 117 VAL 118 118 GLY 119 119 HIS 120 120 TRP 121 121 PRO 122 122 THR 123 123 ALA 124 124 GLY 125 125 TYR 126 126 HIS 127 127 PHE 128 128 GLU 129 129 ALA 130 130 SER 131 131 LYS 132 132 GLY 133 133 LEU 134 134 ALA 135 135 ASP 136 136 ASP 137 137 ASP 138 138 HIS 139 139 PHE 140 140 VAL 141 141 GLY 142 142 LEU 143 143 ALA 144 144 ILE 145 145 ASP 146 146 GLU 147 147 ASP 148 148 ARG 149 149 GLN 150 150 PRO 151 151 GLU 152 152 LEU 153 153 THR 154 154 ALA 155 155 GLU 156 156 ARG 157 157 VAL 158 158 GLU 159 159 LYS 160 160 TRP 161 161 VAL 162 162 LYS 163 163 GLN 164 164 ILE 165 165 SER 166 166 GLU 167 167 GLU 168 168 LEU 169 169 HIS 170 170 LEU 171 171 ASP 172 172 GLU 173 173 ILE 174 174 LEU 175 175 ASN 176 176 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 25015 entity 100.00 176 100.00 100.00 1.90e-124 PDB 1AG9 "Flavodoxins That Are Required For Enzyme Activation: The Structure Of Oxidized Flavodoxin From Escherichia Coli At 1.8 Angstrom" 99.43 175 100.00 100.00 1.65e-123 PDB 1AHN "E. Coli Flavodoxin At 2.6 Angstroms Resolution" 99.43 175 100.00 100.00 1.65e-123 PDB 2MOK Holo_flda 100.00 176 100.00 100.00 1.90e-124 DBJ BAA35333 "flavodoxin 1 [Escherichia coli str. K12 substr. W3110]" 100.00 176 100.00 100.00 1.90e-124 DBJ BAB34138 "flavodoxin 1 [Escherichia coli O157:H7 str. Sakai]" 100.00 176 100.00 100.00 1.90e-124 DBJ BAG76270 "flavodoxin [Escherichia coli SE11]" 100.00 176 100.00 100.00 1.90e-124 DBJ BAI24076 "flavodoxin 1 [Escherichia coli O26:H11 str. 11368]" 100.00 176 100.00 100.00 1.90e-124 DBJ BAI29544 "flavodoxin 1 [Escherichia coli O103:H2 str. 12009]" 100.00 176 100.00 100.00 1.90e-124 EMBL CAD05157 "flavodoxin 1 [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 176 97.16 98.30 3.95e-121 EMBL CAP75173 "Flavodoxin-1 [Escherichia coli LF82]" 100.00 176 100.00 100.00 1.90e-124 EMBL CAQ31149 "flavodoxin 1 [Escherichia coli BL21(DE3)]" 100.00 176 100.00 100.00 1.90e-124 EMBL CAQ89923 "flavodoxin 1 [Escherichia fergusonii ATCC 35469]" 100.00 176 100.00 100.00 1.90e-124 EMBL CAQ97531 "flavodoxin 1 [Escherichia coli IAI1]" 100.00 176 100.00 100.00 1.90e-124 GB AAA23789 "flavodoxin [Escherichia coli]" 100.00 176 100.00 100.00 1.90e-124 GB AAC73778 "flavodoxin 1 [Escherichia coli str. K-12 substr. MG1655]" 100.00 176 100.00 100.00 1.90e-124 GB AAG55007 "flavodoxin 1 [Escherichia coli O157:H7 str. EDL933]" 100.00 176 100.00 100.00 1.90e-124 GB AAL19638 "flavodoxin 1 [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 100.00 176 97.73 98.86 2.84e-122 GB AAN79244 "Flavodoxin 1 [Escherichia coli CFT073]" 100.00 215 100.00 100.00 2.22e-123 PIR AC0586 "flavodoxin 1 [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" 100.00 176 97.16 98.30 3.95e-121 REF NP_308742 "flavodoxin FldA [Escherichia coli O157:H7 str. Sakai]" 100.00 176 100.00 100.00 1.90e-124 REF NP_415210 "flavodoxin 1 [Escherichia coli str. K-12 substr. MG1655]" 100.00 176 100.00 100.00 1.90e-124 REF NP_455255 "flavodoxin 1 [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 176 97.16 98.30 3.95e-121 REF NP_459679 "flavodoxin [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 100.00 176 97.73 98.86 2.84e-122 REF WP_000321745 "flavodoxin FldA, partial [Escherichia coli]" 81.82 144 100.00 100.00 1.28e-99 SP P61949 "RecName: Full=Flavodoxin-1" 100.00 176 100.00 100.00 1.90e-124 SP P61950 "RecName: Full=Flavodoxin-1" 100.00 176 100.00 100.00 1.90e-124 SP P61951 "RecName: Full=Flavodoxin-1" 100.00 176 100.00 100.00 1.90e-124 SP Q8ZQX1 "RecName: Full=Flavodoxin-1" 100.00 176 97.73 98.86 2.84e-122 stop_ save_ ############# # Ligands # ############# save_FMN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'FLAVIN MONONUCLEOTIDE' _BMRB_code FMN _PDB_code FMN _Molecular_mass 456.344 _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 N1 N1 N . 0 . ? C2 C2 C . 0 . ? O2 O2 O . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? O4 O4 O . 0 . ? C4A C4A C . 0 . ? N5 N5 N . 0 . ? C5A C5A C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? C7M C7M C . 0 . ? C8 C8 C . 0 . ? C8M C8M C . 0 . ? C9 C9 C . 0 . ? C9A C9A C . 0 . ? N10 N10 N . 0 . ? C10 C10 C . 0 . ? C1' C1' C . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C5' C5' C . 0 . ? O5' O5' O . 0 . ? P P P . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? O3P O3P O . 0 . ? HN3 HN3 H . 0 . ? H6 H6 H . 0 . ? HM71 HM71 H . 0 . ? HM72 HM72 H . 0 . ? HM73 HM73 H . 0 . ? HM81 HM81 H . 0 . ? HM82 HM82 H . 0 . ? HM83 HM83 H . 0 . ? H9 H9 H . 0 . ? H1'1 H1'1 H . 0 . ? H1'2 H1'2 H . 0 . ? H2' H2' H . 0 . ? HO2' HO2' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H4' H4' H . 0 . ? HO4' HO4' H . 0 . ? H5'1 H5'1 H . 0 . ? H5'2 H5'2 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 SING N1 C2 ? ? DOUB N1 C10 ? ? DOUB C2 O2 ? ? SING C2 N3 ? ? SING N3 C4 ? ? SING N3 HN3 ? ? DOUB C4 O4 ? ? SING C4 C4A ? ? DOUB C4A N5 ? ? SING C4A C10 ? ? SING N5 C5A ? ? DOUB C5A C6 ? ? SING C5A C9A ? ? SING C6 C7 ? ? SING C6 H6 ? ? SING C7 C7M ? ? DOUB C7 C8 ? ? SING C7M HM71 ? ? SING C7M HM72 ? ? SING C7M HM73 ? ? SING C8 C8M ? ? SING C8 C9 ? ? SING C8M HM81 ? ? SING C8M HM82 ? ? SING C8M HM83 ? ? DOUB C9 C9A ? ? SING C9 H9 ? ? SING C9A N10 ? ? SING N10 C10 ? ? SING N10 C1' ? ? SING C1' C2' ? ? SING C1' H1'1 ? ? SING C1' H1'2 ? ? SING C2' O2' ? ? SING C2' C3' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C3' O3' ? ? SING C3' C4' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C4' O4' ? ? SING C4' C5' ? ? SING C4' H4' ? ? SING O4' HO4' ? ? SING C5' O5' ? ? SING C5' H5'1 ? ? SING C5' H5'2 ? ? SING O5' P ? ? DOUB P O1P ? ? SING P O2P ? ? SING P O3P ? ? SING O2P HOP2 ? ? SING O3P 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 $entity_1 'E. Coli' 562 Bacteria . Escherichia coli 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 $entity_1 'recombinant technology' . Escherichia coli . pET21a(+) 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 $entity_1 1 mM '[U-100% 15N]' 'sodium phosphate' 30 mM 'natural abundance' DTT 40 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 30 mM 'natural abundance' DTT 40 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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_2 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 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' 180 . mM pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0 internal indirect . . . 0.25145 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.10133 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' 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 entity_1 _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 2 2 ALA HA H 4.252 . . 2 2 2 ALA HB H 1.493 . . 3 2 2 ALA C C 174.479 . . 4 2 2 ALA CA C 53.468 . . 5 2 2 ALA CB C 19.167 . . 6 3 3 ILE H H 8.456 . . 7 3 3 ILE HA H 4.545 . . 8 3 3 ILE HB H 2.170 . . 9 3 3 ILE HG12 H 1.507 . . 10 3 3 ILE HG13 H 1.732 . . 11 3 3 ILE HG2 H 1.175 . . 12 3 3 ILE HD1 H 1.005 . . 13 3 3 ILE C C 175.806 . . 14 3 3 ILE CA C 63.195 . . 15 3 3 ILE CB C 39.410 . . 16 3 3 ILE CG1 C 27.691 . . 17 3 3 ILE CG2 C 17.900 . . 18 3 3 ILE CD1 C 14.496 . . 19 3 3 ILE N N 116.571 . . 20 4 4 THR H H 8.244 . . 21 4 4 THR HA H 5.124 . . 22 4 4 THR HB H 3.969 . . 23 4 4 THR HG2 H 0.964 . . 24 4 4 THR C C 172.410 . . 25 4 4 THR CA C 61.724 . . 26 4 4 THR CB C 70.059 . . 27 4 4 THR CG2 C 22.003 . . 28 4 4 THR N N 115.734 . . 29 5 5 GLY H H 8.554 . . 30 5 5 GLY HA2 H 3.854 . . 31 5 5 GLY HA3 H 1.935 . . 32 5 5 GLY C C 171.077 . . 33 5 5 GLY CA C 43.509 . . 34 5 5 GLY N N 116.016 . . 35 6 6 ILE H H 8.719 . . 36 6 6 ILE HA H 5.451 . . 37 6 6 ILE HB H 2.133 . . 38 6 6 ILE HG12 H 1.631 . . 39 6 6 ILE HG13 H 1.005 . . 40 6 6 ILE HG2 H 1.176 . . 41 6 6 ILE HD1 H 0.652 . . 42 6 6 ILE C C 175.245 . . 43 6 6 ILE CA C 59.918 . . 44 6 6 ILE CB C 38.208 . . 45 6 6 ILE CG1 C 27.582 . . 46 6 6 ILE CG2 C 17.900 . . 47 6 6 ILE CD1 C 14.830 . . 48 6 6 ILE N N 126.504 . . 49 7 7 PHE H H 9.609 . . 50 7 7 PHE HA H 5.613 . . 51 7 7 PHE HB2 H 2.449 . . 52 7 7 PHE HB3 H 3.185 . . 53 7 7 PHE HD1 H 6.869 . . 54 7 7 PHE C C 174.634 . . 55 7 7 PHE CA C 55.663 . . 56 7 7 PHE CB C 41.688 . . 57 7 7 PHE CD1 C 132.224 . . 58 7 7 PHE N N 127.559 . . 59 8 8 PHE H H 8.545 . . 60 8 8 PHE HA H 6.224 . . 61 8 8 PHE HB2 H 2.992 . . 62 8 8 PHE HB3 H 2.624 . . 63 8 8 PHE HD1 H 6.640 . . 64 8 8 PHE C C 171.212 . . 65 8 8 PHE CA C 54.679 . . 66 8 8 PHE CB C 43.521 . . 67 8 8 PHE N N 120.006 . . 68 9 9 GLY H H 7.701 . . 69 9 9 GLY HA2 H 4.702 . . 70 9 9 GLY HA3 H 3.516 . . 71 9 9 GLY C C 172.512 . . 72 9 9 GLY CA C 44.318 . . 73 9 9 GLY N N 109.650 . . 74 10 10 SER H H 8.634 . . 75 10 10 SER HA H 5.001 . . 76 10 10 SER HB2 H 3.914 . . 77 10 10 SER HB3 H 3.775 . . 78 10 10 SER C C 173.439 . . 79 10 10 SER CA C 58.308 . . 80 10 10 SER CB C 66.423 . . 81 10 10 SER N N 115.953 . . 82 11 11 ASP H H 11.201 . . 83 11 11 ASP HA H 4.974 . . 84 11 11 ASP HB2 H 2.515 . . 85 11 11 ASP HB3 H 2.046 . . 86 11 11 ASP C C 179.108 . . 87 11 11 ASP CA C 55.549 . . 88 11 11 ASP CB C 40.100 . . 89 11 11 ASP N N 104.000 . . 90 12 12 THR H H 9.311 . . 91 12 12 THR HA H 4.804 . . 92 12 12 THR HB H 4.804 . . 93 12 12 THR HG2 H 1.419 . . 94 12 12 THR C C 175.080 . . 95 12 12 THR CA C 60.237 . . 96 12 12 THR CB C 68.567 . . 97 12 12 THR CG2 C 23.282 . . 98 12 12 THR N N 112.000 . . 99 13 13 GLY H H 8.000 . . 100 13 13 GLY HA2 H 4.362 . . 101 13 13 GLY HA3 H 3.769 . . 102 13 13 GLY C C 176.690 . . 103 13 13 GLY CA C 46.300 . . 104 13 13 GLY N N 112.221 . . 105 14 14 ASN H H 11.112 . . 106 14 14 ASN HA H 4.626 . . 107 14 14 ASN HB2 H 3.597 . . 108 14 14 ASN HB3 H 2.630 . . 109 14 14 ASN HD21 H 7.407 . . 110 14 14 ASN HD22 H 9.125 . . 111 14 14 ASN C C 178.888 . . 112 14 14 ASN CA C 57.064 . . 113 14 14 ASN CB C 36.834 . . 114 14 14 ASN N N 128.520 . . 115 14 14 ASN ND2 N 117.820 . . 116 15 15 THR H H 11.327 . . 117 15 15 THR HA H 4.369 . . 118 15 15 THR HB H 3.614 . . 119 15 15 THR HG2 H 1.250 . . 120 15 15 THR C C 176.786 . . 121 15 15 THR CA C 67.325 . . 122 15 15 THR CB C 67.961 . . 123 15 15 THR CG2 C 22.534 . . 124 15 15 THR N N 122.550 . . 125 16 16 GLU H H 6.590 . . 126 16 16 GLU HA H 2.287 . . 127 16 16 GLU HB2 H 1.453 . . 128 16 16 GLU HB3 H 1.717 . . 129 16 16 GLU HG2 H 1.335 . . 130 16 16 GLU HG3 H 1.656 . . 131 16 16 GLU C C 176.642 . . 132 16 16 GLU CA C 59.069 . . 133 16 16 GLU CB C 28.377 . . 134 16 16 GLU CG C 35.286 . . 135 16 16 GLU N N 120.578 . . 136 17 17 ASN H H 7.705 . . 137 17 17 ASN HA H 4.310 . . 138 17 17 ASN HB2 H 2.971 . . 139 17 17 ASN HD21 H 6.759 . . 140 17 17 ASN HD22 H 8.061 . . 141 17 17 ASN C C 178.255 . . 142 17 17 ASN CA C 56.301 . . 143 17 17 ASN CB C 37.638 . . 144 17 17 ASN CG C 175.606 . . 145 17 17 ASN N N 118.000 . . 146 17 17 ASN ND2 N 115.426 . . 147 18 18 ILE H H 8.141 . . 148 18 18 ILE HA H 3.652 . . 149 18 18 ILE HB H 2.128 . . 150 18 18 ILE HG12 H 2.100 . . 151 18 18 ILE HG13 H 1.007 . . 152 18 18 ILE HG2 H 0.547 . . 153 18 18 ILE HD1 H 0.642 . . 154 18 18 ILE C C 177.564 . . 155 18 18 ILE CA C 62.500 . . 156 18 18 ILE CB C 34.551 . . 157 18 18 ILE CG1 C 27.316 . . 158 18 18 ILE CG2 C 18.815 . . 159 18 18 ILE CD1 C 78.206 . . 160 18 18 ILE N N 119.430 . . 161 19 19 ALA H H 8.304 . . 162 19 19 ALA HA H 3.669 . . 163 19 19 ALA HB H 1.465 . . 164 19 19 ALA C C 178.888 . . 165 19 19 ALA CA C 55.655 . . 166 19 19 ALA CB C 18.815 . . 167 19 19 ALA N N 123.208 . . 168 20 20 LYS H H 7.722 . . 169 20 20 LYS HA H 3.816 . . 170 20 20 LYS HB2 H 1.895 . . 171 20 20 LYS HG2 H 1.530 . . 172 20 20 LYS HG3 H 1.353 . . 173 20 20 LYS HD2 H 1.636 . . 174 20 20 LYS HE2 H 2.792 . . 175 20 20 LYS HE3 H 2.919 . . 176 20 20 LYS C C 179.666 . . 177 20 20 LYS CA C 59.822 . . 178 20 20 LYS CB C 32.098 . . 179 20 20 LYS CG C 26.650 . . 180 20 20 LYS CD C 29.176 . . 181 20 20 LYS CE C 41.987 . . 182 20 20 LYS N N 116.460 . . 183 21 21 MET H H 8.336 . . 184 21 21 MET HA H 3.946 . . 185 21 21 MET HB2 H 2.126 . . 186 21 21 MET HB3 H 2.287 . . 187 21 21 MET HG2 H 2.434 . . 188 21 21 MET HG3 H 2.735 . . 189 21 21 MET HE H 2.025 . . 190 21 21 MET C C 179.435 . . 191 21 21 MET CA C 59.662 . . 192 21 21 MET CB C 34.262 . . 193 21 21 MET CG C 31.967 . . 194 21 21 MET CE C 16.424 . . 195 21 21 MET N N 123.880 . . 196 22 22 ILE H H 8.500 . . 197 22 22 ILE HA H 3.245 . . 198 22 22 ILE HB H 1.578 . . 199 22 22 ILE HG12 H 0.469 . . 200 22 22 ILE HG13 H 1.500 . . 201 22 22 ILE HG2 H 0.618 . . 202 22 22 ILE HD1 H -0.275 . . 203 22 22 ILE C C 177.592 . . 204 22 22 ILE CA C 65.724 . . 205 22 22 ILE CB C 37.677 . . 206 22 22 ILE CG1 C 29.362 . . 207 22 22 ILE CG2 C 17.487 . . 208 22 22 ILE CD1 C 13.502 . . 209 22 22 ILE N N 122.065 . . 210 23 23 GLN H H 7.985 . . 211 23 23 GLN HA H 3.444 . . 212 23 23 GLN HB2 H 2.213 . . 213 23 23 GLN HB3 H 1.615 . . 214 23 23 GLN HG2 H 2.022 . . 215 23 23 GLN HG3 H 2.302 . . 216 23 23 GLN HE21 H 8.332 . . 217 23 23 GLN HE22 H 7.067 . . 218 23 23 GLN C C 177.017 . . 219 23 23 GLN CA C 59.691 . . 220 23 23 GLN CB C 27.848 . . 221 23 23 GLN CG C 33.426 . . 222 23 23 GLN CD C 178.057 . . 223 23 23 GLN N N 119.264 . . 224 23 23 GLN NE2 N 114.700 . . 225 24 24 LYS H H 7.942 . . 226 24 24 LYS HA H 3.920 . . 227 24 24 LYS HB2 H 1.922 . . 228 24 24 LYS HG2 H 1.415 . . 229 24 24 LYS HG3 H 1.544 . . 230 24 24 LYS HD2 H 1.690 . . 231 24 24 LYS HE2 H 2.983 . . 232 24 24 LYS C C 178.427 . . 233 24 24 LYS CA C 59.160 . . 234 24 24 LYS CB C 32.364 . . 235 24 24 LYS CG C 25.190 . . 236 24 24 LYS CD C 29.441 . . 237 24 24 LYS CE C 42.226 . . 238 24 24 LYS N N 118.970 . . 239 25 25 GLN H H 7.636 . . 240 25 25 GLN HA H 4.003 . . 241 25 25 GLN HB2 H 2.043 . . 242 25 25 GLN HB3 H 2.133 . . 243 25 25 GLN HG2 H 2.337 . . 244 25 25 GLN HE21 H 7.026 . . 245 25 25 GLN HE22 H 7.674 . . 246 25 25 GLN C C 178.226 . . 247 25 25 GLN CA C 58.083 . . 248 25 25 GLN CB C 28.910 . . 249 25 25 GLN CG C 33.566 . . 250 25 25 GLN CD C 178.168 . . 251 25 25 GLN N N 118.400 . . 252 25 25 GLN NE2 N 111.530 . . 253 26 26 LEU H H 8.098 . . 254 26 26 LEU HA H 4.019 . . 255 26 26 LEU HB2 H 1.244 . . 256 26 26 LEU HB3 H 1.689 . . 257 26 26 LEU HG H 0.576 . . 258 26 26 LEU HD1 H 0.631 . . 259 26 26 LEU HD2 H 1.555 . . 260 26 26 LEU C C 177.247 . . 261 26 26 LEU CA C 57.069 . . 262 26 26 LEU CB C 43.149 . . 263 26 26 LEU CG C 26.785 . . 264 26 26 LEU CD1 C 23.240 . . 265 26 26 LEU CD2 C 26.700 . . 266 26 26 LEU N N 119.080 . . 267 27 27 GLY H H 8.050 . . 268 27 27 GLY HA2 H 3.660 . . 269 27 27 GLY HA3 H 4.562 . . 270 27 27 GLY C C 175.231 . . 271 27 27 GLY CA C 44.060 . . 272 27 27 GLY N N 107.750 . . 273 28 28 LYS H H 8.786 . . 274 28 28 LYS HA H 4.223 . . 275 28 28 LYS HB2 H 1.841 . . 276 28 28 LYS HG2 H 1.375 . . 277 28 28 LYS HG3 H 1.480 . . 278 28 28 LYS HD2 H 1.694 . . 279 28 28 LYS HE2 H 2.985 . . 280 28 28 LYS C C 176.372 . . 281 28 28 LYS CA C 58.929 . . 282 28 28 LYS CB C 32.098 . . 283 28 28 LYS CG C 24.925 . . 284 28 28 LYS CD C 29.426 . . 285 28 28 LYS CE C 41.921 . . 286 28 28 LYS N N 125.187 . . 287 29 29 ASP H H 8.919 . . 288 29 29 ASP HA H 4.575 . . 289 29 29 ASP HB2 H 2.711 . . 290 29 29 ASP HB3 H 2.819 . . 291 29 29 ASP C C 176.437 . . 292 29 29 ASP CA C 55.210 . . 293 29 29 ASP CB C 39.802 . . 294 29 29 ASP N N 115.960 . . 295 30 30 VAL H H 7.573 . . 296 30 30 VAL HA H 4.056 . . 297 30 30 VAL HB H 1.980 . . 298 30 30 VAL HG1 H 0.990 . . 299 30 30 VAL HG2 H 0.894 . . 300 30 30 VAL C C 174.656 . . 301 30 30 VAL CA C 63.720 . . 302 30 30 VAL CB C 32.838 . . 303 30 30 VAL CG1 C 22.269 . . 304 30 30 VAL CG2 C 22.003 . . 305 30 30 VAL N N 120.609 . . 306 31 31 ALA H H 7.951 . . 307 31 31 ALA HA H 5.531 . . 308 31 31 ALA HB H 1.076 . . 309 31 31 ALA C C 175.174 . . 310 31 31 ALA CA C 50.162 . . 311 31 31 ALA CB C 23.331 . . 312 31 31 ALA N N 123.100 . . 313 32 32 ASP H H 8.175 . . 314 32 32 ASP HA H 4.869 . . 315 32 32 ASP HB2 H 2.498 . . 316 32 32 ASP C C 174.771 . . 317 32 32 ASP CA C 52.412 . . 318 32 32 ASP CB C 43.787 . . 319 32 32 ASP N N 121.576 . . 320 33 33 VAL H H 8.397 . . 321 33 33 VAL HA H 4.657 . . 322 33 33 VAL HB H 1.705 . . 323 33 33 VAL HG1 H 0.874 . . 324 33 33 VAL HG2 H 0.737 . . 325 33 33 VAL C C 174.252 . . 326 33 33 VAL CA C 61.303 . . 327 33 33 VAL CB C 33.876 . . 328 33 33 VAL CG1 C 22.269 . . 329 33 33 VAL CG2 C 22.800 . . 330 33 33 VAL N N 120.428 . . 331 34 34 HIS H H 8.945 . . 332 34 34 HIS HA H 4.553 . . 333 34 34 HIS HB2 H 1.929 . . 334 34 34 HIS HB3 H 2.541 . . 335 34 34 HIS HD2 H 6.852 . . 336 34 34 HIS C C 171.920 . . 337 34 34 HIS CA C 53.571 . . 338 34 34 HIS CB C 33.420 . . 339 34 34 HIS CD2 C 118.400 . . 340 34 34 HIS N N 125.285 . . 341 35 35 ASP H H 8.589 . . 342 35 35 ASP HA H 3.297 . . 343 35 35 ASP HB2 H 2.450 . . 344 35 35 ASP HB3 H 2.287 . . 345 35 35 ASP C C 179.780 . . 346 35 35 ASP CA C 51.756 . . 347 35 35 ASP CB C 41.396 . . 348 35 35 ASP N N 124.120 . . 349 36 36 ILE H H 9.705 . . 350 36 36 ILE HA H 3.554 . . 351 36 36 ILE HB H 0.236 . . 352 36 36 ILE HG12 H -1.341 . . 353 36 36 ILE HG13 H -0.138 . . 354 36 36 ILE HG2 H -0.409 . . 355 36 36 ILE HD1 H -0.658 . . 356 36 36 ILE C C 175.404 . . 357 36 36 ILE CA C 59.350 . . 358 36 36 ILE CB C 39.271 . . 359 36 36 ILE CG1 C 27.069 . . 360 36 36 ILE CG2 C 18.442 . . 361 36 36 ILE CD1 C 13.986 . . 362 36 36 ILE N N 106.681 . . 363 37 37 ALA H H 8.261 . . 364 37 37 ALA HA H 4.089 . . 365 37 37 ALA HB H 1.184 . . 366 37 37 ALA C C 178.140 . . 367 37 37 ALA CA C 53.616 . . 368 37 37 ALA CB C 19.346 . . 369 37 37 ALA N N 123.095 . . 370 38 38 LYS H H 7.437 . . 371 38 38 LYS HA H 4.611 . . 372 38 38 LYS HB2 H 1.662 . . 373 38 38 LYS HB3 H 2.255 . . 374 38 38 LYS HG2 H 1.288 . . 375 38 38 LYS HD2 H 1.644 . . 376 38 38 LYS HD3 H 1.720 . . 377 38 38 LYS HE2 H 3.030 . . 378 38 38 LYS HE3 H 2.981 . . 379 38 38 LYS C C 176.498 . . 380 38 38 LYS CA C 54.147 . . 381 38 38 LYS CB C 33.426 . . 382 38 38 LYS CG C 25.191 . . 383 38 38 LYS CD C 29.253 . . 384 38 38 LYS CE C 42.182 . . 385 38 38 LYS N N 115.312 . . 386 39 39 SER H H 7.051 . . 387 39 39 SER HA H 5.019 . . 388 39 39 SER HB2 H 3.511 . . 389 39 39 SER HB3 H 3.771 . . 390 39 39 SER C C 171.402 . . 391 39 39 SER CA C 58.929 . . 392 39 39 SER CB C 65.538 . . 393 39 39 SER N N 115.623 . . 394 40 40 SER H H 9.377 . . 395 40 40 SER HA H 5.025 . . 396 40 40 SER HB2 H 4.189 . . 397 40 40 SER HB3 H 3.983 . . 398 40 40 SER C C 174.741 . . 399 40 40 SER CA C 56.003 . . 400 40 40 SER CB C 67.416 . . 401 40 40 SER N N 118.860 . . 402 41 41 LYS H H 9.098 . . 403 41 41 LYS HA H 3.738 . . 404 41 41 LYS HB2 H 1.716 . . 405 41 41 LYS HG2 H 1.242 . . 406 41 41 LYS HG3 H 1.106 . . 407 41 41 LYS HD2 H 1.636 . . 408 41 41 LYS HE2 H 2.833 . . 409 41 41 LYS HE3 H 2.909 . . 410 41 41 LYS C C 177.391 . . 411 41 41 LYS CA C 60.973 . . 412 41 41 LYS CB C 33.307 . . 413 41 41 LYS CG C 24.321 . . 414 41 41 LYS CD C 29.973 . . 415 41 41 LYS CE C 41.819 . . 416 41 41 LYS N N 122.504 . . 417 42 42 GLU H H 8.839 . . 418 42 42 GLU HA H 4.128 . . 419 42 42 GLU HB2 H 2.049 . . 420 42 42 GLU HB3 H 1.965 . . 421 42 42 GLU HG2 H 2.493 . . 422 42 42 GLU HG3 H 2.286 . . 423 42 42 GLU C C 178.773 . . 424 42 42 GLU CA C 59.992 . . 425 42 42 GLU CB C 28.644 . . 426 42 42 GLU CG C 37.280 . . 427 42 42 GLU N N 115.836 . . 428 43 43 ASP H H 7.794 . . 429 43 43 ASP HA H 4.486 . . 430 43 43 ASP HB2 H 2.529 . . 431 43 43 ASP HB3 H 3.148 . . 432 43 43 ASP C C 177.564 . . 433 43 43 ASP CA C 57.601 . . 434 43 43 ASP CB C 40.806 . . 435 43 43 ASP N N 119.589 . . 436 44 44 LEU H H 6.854 . . 437 44 44 LEU HA H 3.971 . . 438 44 44 LEU HB2 H 1.436 . . 439 44 44 LEU HG H 0.294 . . 440 44 44 LEU HD1 H 0.276 . . 441 44 44 LEU HD2 H 0.529 . . 442 44 44 LEU C C 178.600 . . 443 44 44 LEU CA C 59.882 . . 444 44 44 LEU CB C 42.724 . . 445 44 44 LEU CG C 30.238 . . 446 44 44 LEU CD1 C 26.785 . . 447 44 44 LEU CD2 C 26.418 . . 448 44 44 LEU N N 118.745 . . 449 45 45 GLU H H 7.571 . . 450 45 45 GLU HA H 3.627 . . 451 45 45 GLU HB2 H 2.007 . . 452 45 45 GLU HG2 H 2.453 . . 453 45 45 GLU HG3 H 2.092 . . 454 45 45 GLU C C 176.988 . . 455 45 45 GLU CA C 58.676 . . 456 45 45 GLU CB C 30.238 . . 457 45 45 GLU CG C 37.601 . . 458 45 45 GLU N N 114.280 . . 459 46 46 ALA H H 7.026 . . 460 46 46 ALA HA H 4.038 . . 461 46 46 ALA HB H 1.270 . . 462 46 46 ALA C C 176.901 . . 463 46 46 ALA CA C 53.319 . . 464 46 46 ALA CB C 19.081 . . 465 46 46 ALA N N 118.860 . . 466 47 47 TYR H H 7.277 . . 467 47 47 TYR HA H 4.731 . . 468 47 47 TYR HB2 H 3.417 . . 469 47 47 TYR HB3 H 2.922 . . 470 47 47 TYR HD2 H 7.416 . . 471 47 47 TYR HE2 H 6.971 . . 472 47 47 TYR C C 175.807 . . 473 47 47 TYR CA C 57.607 . . 474 47 47 TYR CB C 41.662 . . 475 47 47 TYR CD2 C 134.800 . . 476 47 47 TYR CE2 C 118.000 . . 477 47 47 TYR N N 115.674 . . 478 48 48 ASP H H 9.546 . . 479 48 48 ASP HA H 4.908 . . 480 48 48 ASP HB2 H 2.737 . . 481 48 48 ASP HB3 H 3.141 . . 482 48 48 ASP C C 175.030 . . 483 48 48 ASP CA C 55.208 . . 484 48 48 ASP CB C 41.646 . . 485 48 48 ASP N N 121.598 . . 486 49 49 ILE H H 7.331 . . 487 49 49 ILE HA H 5.294 . . 488 49 49 ILE HB H 2.085 . . 489 49 49 ILE HG12 H 1.723 . . 490 49 49 ILE HG13 H 1.153 . . 491 49 49 ILE HG2 H 0.841 . . 492 49 49 ILE HD1 H 0.939 . . 493 49 49 ILE C C 175.059 . . 494 49 49 ILE CA C 60.530 . . 495 49 49 ILE CB C 40.068 . . 496 49 49 ILE CG1 C 27.491 . . 497 49 49 ILE CG2 C 19.081 . . 498 49 49 ILE CD1 C 14.033 . . 499 49 49 ILE N N 119.608 . . 500 50 50 LEU H H 9.095 . . 501 50 50 LEU HA H 5.660 . . 502 50 50 LEU HB2 H 1.962 . . 503 50 50 LEU HB3 H 1.552 . . 504 50 50 LEU HG H 1.794 . . 505 50 50 LEU HD1 H 1.349 . . 506 50 50 LEU HD2 H 1.077 . . 507 50 50 LEU C C 174.598 . . 508 50 50 LEU CA C 52.819 . . 509 50 50 LEU CB C 48.037 . . 510 50 50 LEU CG C 26.520 . . 511 50 50 LEU CD1 C 26.780 . . 512 50 50 LEU CD2 C 27.051 . . 513 50 50 LEU N N 127.901 . . 514 51 51 LEU H H 9.275 . . 515 51 51 LEU HA H 6.032 . . 516 51 51 LEU HB2 H 1.941 . . 517 51 51 LEU HB3 H 1.742 . . 518 51 51 LEU HG H 1.801 . . 519 51 51 LEU HD1 H 0.846 . . 520 51 51 LEU HD2 H 0.737 . . 521 51 51 LEU C C 175.894 . . 522 51 51 LEU CA C 53.311 . . 523 51 51 LEU CB C 44.318 . . 524 51 51 LEU CG C 29.441 . . 525 51 51 LEU CD1 C 26.929 . . 526 51 51 LEU CD2 C 24.660 . . 527 51 51 LEU N N 123.440 . . 528 52 52 LEU H H 9.024 . . 529 52 52 LEU HA H 5.656 . . 530 52 52 LEU HB2 H 1.134 . . 531 52 52 LEU HB3 H 1.892 . . 532 52 52 LEU HG H 1.792 . . 533 52 52 LEU HD1 H 0.740 . . 534 52 52 LEU HD2 H 1.256 . . 535 52 52 LEU C C 173.763 . . 536 52 52 LEU CA C 52.877 . . 537 52 52 LEU CB C 41.486 . . 538 52 52 LEU CG C 26.784 . . 539 52 52 LEU CD1 C 25.382 . . 540 52 52 LEU CD2 C 24.680 . . 541 52 52 LEU N N 123.320 . . 542 53 53 GLY H H 9.283 . . 543 53 53 GLY HA2 H 4.022 . . 544 53 53 GLY HA3 H 1.791 . . 545 53 53 GLY C C 174.530 . . 546 53 53 GLY CA C 42.989 . . 547 53 53 GLY N N 110.739 . . 548 54 54 ILE H H 9.136 . . 549 54 54 ILE HA H 5.206 . . 550 54 54 ILE HB H 0.812 . . 551 54 54 ILE HG12 H 0.977 . . 552 54 54 ILE HG2 H 0.567 . . 553 54 54 ILE HD1 H 0.601 . . 554 54 54 ILE CA C 56.007 . . 555 54 54 ILE CB C 42.990 . . 556 54 54 ILE CG1 C 27.466 . . 557 54 54 ILE CG2 C 13.502 . . 558 54 54 ILE CD1 C 15.000 . . 559 54 54 ILE N N 126.032 . . 560 55 55 PRO HA H 5.317 . . 561 55 55 PRO HB2 H 2.358 . . 562 55 55 PRO HB3 H 1.997 . . 563 55 55 PRO HG2 H 3.456 . . 564 55 55 PRO HD2 H 4.480 . . 565 55 55 PRO HD3 H 3.710 . . 566 55 55 PRO C C 174.771 . . 567 55 55 PRO CA C 61.748 . . 568 55 55 PRO CB C 33.014 . . 569 55 55 PRO CG C 26.950 . . 570 55 55 PRO CD C 51.900 . . 571 56 56 THR H H 6.599 . . 572 56 56 THR HA H 4.582 . . 573 56 56 THR HB H 3.606 . . 574 56 56 THR HG2 H 1.367 . . 575 56 56 THR C C 171.719 . . 576 56 56 THR CA C 62.383 . . 577 56 56 THR CB C 69.692 . . 578 56 56 THR CG2 C 22.199 . . 579 56 56 THR N N 113.710 . . 580 57 57 TRP H H 8.865 . . 581 57 57 TRP HA H 2.626 . . 582 57 57 TRP HB2 H 1.995 . . 583 57 57 TRP HB3 H 2.583 . . 584 57 57 TRP HD1 H 6.210 . . 585 57 57 TRP HE1 H 11.088 . . 586 57 57 TRP HE3 H 5.450 . . 587 57 57 TRP HZ2 H 7.940 . . 588 57 57 TRP HZ3 H 6.643 . . 589 57 57 TRP HH2 H 7.149 . . 590 57 57 TRP C C 172.611 . . 591 57 57 TRP CA C 56.275 . . 592 57 57 TRP CB C 34.754 . . 593 57 57 TRP CD1 C 122.160 . . 594 57 57 TRP CE3 C 122.960 . . 595 57 57 TRP CZ2 C 115.770 . . 596 57 57 TRP CZ3 C 121.300 . . 597 57 57 TRP CH2 C 123.900 . . 598 57 57 TRP N N 130.050 . . 599 57 57 TRP NE1 N 131.000 . . 600 58 58 TYR H H 5.730 . . 601 58 58 TYR HA H 4.216 . . 602 58 58 TYR HB2 H 3.261 . . 603 58 58 TYR HB3 H 3.003 . . 604 58 58 TYR HD1 H 7.323 . . 605 58 58 TYR HE1 H 6.913 . . 606 58 58 TYR C C 173.619 . . 607 58 58 TYR CA C 59.200 . . 608 58 58 TYR CB C 36.200 . . 609 58 58 TYR CD1 C 133.200 . . 610 58 58 TYR CE1 C 119.229 . . 611 58 58 TYR N N 112.793 . . 612 59 59 TYR H H 7.661 . . 613 59 59 TYR HA H 3.395 . . 614 59 59 TYR HB2 H 2.168 . . 615 59 59 TYR HB3 H 3.434 . . 616 59 59 TYR HD2 H 7.060 . . 617 59 59 TYR HE2 H 6.910 . . 618 59 59 TYR C C 175.865 . . 619 59 59 TYR CA C 59.460 . . 620 59 59 TYR CB C 33.610 . . 621 59 59 TYR CD2 C 133.500 . . 622 59 59 TYR CE2 C 118.700 . . 623 59 59 TYR N N 112.220 . . 624 60 60 GLY H H 8.142 . . 625 60 60 GLY HA2 H 3.779 . . 626 60 60 GLY HA3 H 4.725 . . 627 60 60 GLY C C 174.483 . . 628 60 60 GLY CA C 46.178 . . 629 60 60 GLY N N 104.550 . . 630 61 61 GLU H H 8.307 . . 631 61 61 GLU HA H 4.438 . . 632 61 61 GLU HB2 H 2.320 . . 633 61 61 GLU HG2 H 2.371 . . 634 61 61 GLU HG3 H 2.608 . . 635 61 61 GLU C C 175.548 . . 636 61 61 GLU CA C 55.476 . . 637 61 61 GLU CB C 30.500 . . 638 61 61 GLU CG C 35.817 . . 639 61 61 GLU N N 120.991 . . 640 62 62 ALA H H 8.722 . . 641 62 62 ALA HA H 4.206 . . 642 62 62 ALA HB H 1.506 . . 643 62 62 ALA C C 176.671 . . 644 62 62 ALA CA C 51.810 . . 645 62 62 ALA CB C 21.206 . . 646 62 62 ALA N N 122.750 . . 647 63 63 GLN H H 6.302 . . 648 63 63 GLN HA H 3.886 . . 649 63 63 GLN C C 176.757 . . 650 63 63 GLN CA C 57.609 . . 651 63 63 GLN N N 120.579 . . 652 64 64 CYS H H 9.091 . . 653 64 64 CYS HA H 4.111 . . 654 64 64 CYS HB2 H 2.856 . . 655 64 64 CYS HB3 H 3.124 . . 656 64 64 CYS C C 174.972 . . 657 64 64 CYS CA C 61.489 . . 658 64 64 CYS CB C 27.582 . . 659 64 64 CYS N N 125.487 . . 660 65 65 ASP H H 7.093 . . 661 65 65 ASP HA H 4.399 . . 662 65 65 ASP HB2 H 2.200 . . 663 65 65 ASP HB3 H 2.826 . . 664 65 65 ASP C C 179.000 . . 665 65 65 ASP CA C 58.132 . . 666 65 65 ASP CB C 41.223 . . 667 65 65 ASP N N 120.298 . . 668 66 66 TRP H H 7.394 . . 669 66 66 TRP HA H 4.216 . . 670 66 66 TRP HB2 H 3.045 . . 671 66 66 TRP HB3 H 2.863 . . 672 66 66 TRP HD1 H 7.089 . . 673 66 66 TRP HE1 H 9.916 . . 674 66 66 TRP HE3 H 7.841 . . 675 66 66 TRP HZ2 H 7.270 . . 676 66 66 TRP HZ3 H 7.119 . . 677 66 66 TRP HH2 H 6.882 . . 678 66 66 TRP C C 176.930 . . 679 66 66 TRP CA C 60.523 . . 680 66 66 TRP CB C 29.961 . . 681 66 66 TRP CD1 C 125.100 . . 682 66 66 TRP CE3 C 122.000 . . 683 66 66 TRP CZ2 C 114.100 . . 684 66 66 TRP CZ3 C 120.810 . . 685 66 66 TRP CH2 C 119.300 . . 686 66 66 TRP N N 122.608 . . 687 66 66 TRP NE1 N 128.246 . . 688 67 67 ASP H H 8.087 . . 689 67 67 ASP HA H 3.525 . . 690 67 67 ASP HB2 H 2.674 . . 691 67 67 ASP HB3 H 2.261 . . 692 67 67 ASP C C 179.579 . . 693 67 67 ASP CA C 57.341 . . 694 67 67 ASP CB C 42.400 . . 695 67 67 ASP N N 118.860 . . 696 68 68 ASP H H 8.056 . . 697 68 68 ASP HA H 4.356 . . 698 68 68 ASP HB2 H 2.822 . . 699 68 68 ASP HB3 H 2.712 . . 700 68 68 ASP C C 176.873 . . 701 68 68 ASP CA C 56.255 . . 702 68 68 ASP CB C 40.807 . . 703 68 68 ASP N N 116.220 . . 704 69 69 PHE H H 7.659 . . 705 69 69 PHE HA H 4.363 . . 706 69 69 PHE HB2 H 3.037 . . 707 69 69 PHE HD1 H 7.229 . . 708 69 69 PHE HE1 H 6.975 . . 709 69 69 PHE HZ H 6.616 . . 710 69 69 PHE C C 177.103 . . 711 69 69 PHE CA C 58.929 . . 712 69 69 PHE CB C 41.530 . . 713 69 69 PHE CD1 C 133.190 . . 714 69 69 PHE CE1 C 129.600 . . 715 69 69 PHE CZ C 128.650 . . 716 69 69 PHE N N 120.493 . . 717 70 70 PHE H H 8.197 . . 718 70 70 PHE HA H 5.018 . . 719 70 70 PHE HB2 H 3.657 . . 720 70 70 PHE HB3 H 3.393 . . 721 70 70 PHE HD1 H 7.389 . . 722 70 70 PHE HE1 H 7.099 . . 723 70 70 PHE HZ H 6.625 . . 724 70 70 PHE C C 174.396 . . 725 70 70 PHE CA C 59.123 . . 726 70 70 PHE CB C 34.755 . . 727 70 70 PHE CD1 C 130.700 . . 728 70 70 PHE CE1 C 130.690 . . 729 70 70 PHE CZ C 127.070 . . 730 70 70 PHE N N 122.293 . . 731 71 71 PRO HA H 4.398 . . 732 71 71 PRO HB2 H 1.828 . . 733 71 71 PRO HB3 H 2.388 . . 734 71 71 PRO HG2 H 2.143 . . 735 71 71 PRO HG3 H 2.056 . . 736 71 71 PRO HD2 H 3.863 . . 737 71 71 PRO HD3 H 3.675 . . 738 71 71 PRO C C 179.118 . . 739 71 71 PRO CA C 66.367 . . 740 71 71 PRO CB C 30.930 . . 741 71 71 PRO CG C 28.545 . . 742 71 71 PRO CD C 50.428 . . 743 72 72 THR H H 7.534 . . 744 72 72 THR HA H 3.816 . . 745 72 72 THR HB H 3.006 . . 746 72 72 THR HG2 H 0.828 . . 747 72 72 THR C C 176.498 . . 748 72 72 THR CA C 65.803 . . 749 72 72 THR CB C 67.203 . . 750 72 72 THR CG2 C 23.300 . . 751 72 72 THR N N 114.461 . . 752 73 73 LEU H H 8.123 . . 753 73 73 LEU HA H 4.090 . . 754 73 73 LEU HB2 H 2.437 . . 755 73 73 LEU HB3 H 2.044 . . 756 73 73 LEU HG H 2.069 . . 757 73 73 LEU HD1 H 1.140 . . 758 73 73 LEU HD2 H 1.415 . . 759 73 73 LEU C C 177.996 . . 760 73 73 LEU CA C 58.151 . . 761 73 73 LEU CB C 43.786 . . 762 73 73 LEU CG C 26.785 . . 763 73 73 LEU CD1 C 26.628 . . 764 73 73 LEU CD2 C 25.622 . . 765 73 73 LEU N N 124.812 . . 766 74 74 GLU H H 7.933 . . 767 74 74 GLU HA H 3.825 . . 768 74 74 GLU HB2 H 2.145 . . 769 74 74 GLU HG2 H 2.173 . . 770 74 74 GLU HG3 H 2.598 . . 771 74 74 GLU C C 176.930 . . 772 74 74 GLU CA C 57.675 . . 773 74 74 GLU CB C 30.021 . . 774 74 74 GLU CG C 37.234 . . 775 74 74 GLU N N 111.877 . . 776 75 75 GLU H H 7.659 . . 777 75 75 GLU HA H 4.347 . . 778 75 75 GLU HB2 H 2.176 . . 779 75 75 GLU HG2 H 2.269 . . 780 75 75 GLU HG3 H 2.623 . . 781 75 75 GLU C C 177.045 . . 782 75 75 GLU CA C 56.026 . . 783 75 75 GLU CB C 30.509 . . 784 75 75 GLU CG C 36.083 . . 785 75 75 GLU N N 116.571 . . 786 76 76 ILE H H 7.468 . . 787 76 76 ILE HA H 3.777 . . 788 76 76 ILE HB H 1.920 . . 789 76 76 ILE HG12 H 0.922 . . 790 76 76 ILE HG13 H 1.912 . . 791 76 76 ILE HG2 H -0.115 . . 792 76 76 ILE HD1 H 0.959 . . 793 76 76 ILE C C 174.656 . . 794 76 76 ILE CA C 62.074 . . 795 76 76 ILE CB C 39.005 . . 796 76 76 ILE CG1 C 28.349 . . 797 76 76 ILE CG2 C 15.294 . . 798 76 76 ILE CD1 C 15.401 . . 799 76 76 ILE N N 123.080 . . 800 77 77 ASP H H 8.605 . . 801 77 77 ASP HA H 4.813 . . 802 77 77 ASP HB2 H 2.655 . . 803 77 77 ASP HB3 H 2.919 . . 804 77 77 ASP C C 176.614 . . 805 77 77 ASP CA C 53.141 . . 806 77 77 ASP CB C 40.865 . . 807 77 77 ASP N N 126.540 . . 808 78 78 PHE H H 8.053 . . 809 78 78 PHE HA H 4.160 . . 810 78 78 PHE HB2 H 2.592 . . 811 78 78 PHE HB3 H 3.167 . . 812 78 78 PHE HD2 H 7.110 . . 813 78 78 PHE HE2 H 7.370 . . 814 78 78 PHE C C 175.347 . . 815 78 78 PHE CA C 59.142 . . 816 78 78 PHE CB C 40.168 . . 817 78 78 PHE CD2 C 132.190 . . 818 78 78 PHE CE2 C 132.940 . . 819 78 78 PHE N N 124.583 . . 820 79 79 ASN H H 8.695 . . 821 79 79 ASN HA H 4.517 . . 822 79 79 ASN HB2 H 3.099 . . 823 79 79 ASN HB3 H 2.643 . . 824 79 79 ASN HD21 H 7.012 . . 825 79 79 ASN HD22 H 8.631 . . 826 79 79 ASN C C 176.815 . . 827 79 79 ASN CA C 56.452 . . 828 79 79 ASN CB C 38.739 . . 829 79 79 ASN CG C 177.161 . . 830 79 79 ASN N N 121.321 . . 831 79 79 ASN ND2 N 117.588 . . 832 80 80 GLY H H 8.646 . . 833 80 80 GLY HA2 H 3.812 . . 834 80 80 GLY HA3 H 4.303 . . 835 80 80 GLY C C 174.195 . . 836 80 80 GLY CA C 45.646 . . 837 80 80 GLY N N 114.150 . . 838 81 81 LYS H H 8.295 . . 839 81 81 LYS HA H 5.037 . . 840 81 81 LYS HB2 H 2.228 . . 841 81 81 LYS HB3 H 1.610 . . 842 81 81 LYS HG2 H 1.553 . . 843 81 81 LYS HG3 H 1.363 . . 844 81 81 LYS HD2 H 1.879 . . 845 81 81 LYS HD3 H 1.499 . . 846 81 81 LYS HE2 H 2.283 . . 847 81 81 LYS HE3 H 2.403 . . 848 81 81 LYS C C 176.268 . . 849 81 81 LYS CA C 55.996 . . 850 81 81 LYS CB C 33.955 . . 851 81 81 LYS CG C 25.949 . . 852 81 81 LYS CD C 29.546 . . 853 81 81 LYS CE C 42.416 . . 854 81 81 LYS N N 119.318 . . 855 82 82 LEU H H 8.407 . . 856 82 82 LEU HA H 5.230 . . 857 82 82 LEU HB2 H 1.365 . . 858 82 82 LEU HB3 H 1.911 . . 859 82 82 LEU HG H 1.850 . . 860 82 82 LEU HD1 H 1.042 . . 861 82 82 LEU HD2 H 0.975 . . 862 82 82 LEU C C 175.347 . . 863 82 82 LEU CA C 53.804 . . 864 82 82 LEU CB C 44.151 . . 865 82 82 LEU CG C 27.582 . . 866 82 82 LEU CD1 C 25.739 . . 867 82 82 LEU CD2 C 23.661 . . 868 82 82 LEU N N 127.000 . . 869 83 83 VAL H H 8.960 . . 870 83 83 VAL HA H 5.840 . . 871 83 83 VAL HB H 1.638 . . 872 83 83 VAL HG1 H 0.895 . . 873 83 83 VAL HG2 H 0.988 . . 874 83 83 VAL C C 173.417 . . 875 83 83 VAL CA C 59.202 . . 876 83 83 VAL CB C 36.348 . . 877 83 83 VAL CG1 C 22.003 . . 878 83 83 VAL CG2 C 22.003 . . 879 83 83 VAL N N 121.665 . . 880 84 84 ALA H H 9.021 . . 881 84 84 ALA HA H 5.333 . . 882 84 84 ALA HB H 1.511 . . 883 84 84 ALA C C 175.231 . . 884 84 84 ALA CA C 50.428 . . 885 84 84 ALA CB C 24.128 . . 886 84 84 ALA N N 128.017 . . 887 85 85 LEU H H 11.134 . . 888 85 85 LEU HA H 5.612 . . 889 85 85 LEU HB2 H 1.699 . . 890 85 85 LEU HB3 H 1.168 . . 891 85 85 LEU HG H 1.731 . . 892 85 85 LEU HD1 H 0.778 . . 893 85 85 LEU C C 174.454 . . 894 85 85 LEU CA C 52.973 . . 895 85 85 LEU CB C 45.912 . . 896 85 85 LEU CG C 27.582 . . 897 85 85 LEU CD1 C 25.990 . . 898 85 85 LEU N N 124.220 . . 899 86 86 PHE H H 8.829 . . 900 86 86 PHE HA H 5.222 . . 901 86 86 PHE HB2 H 2.464 . . 902 86 86 PHE HB3 H 2.147 . . 903 86 86 PHE HD1 H 7.021 . . 904 86 86 PHE C C 173.619 . . 905 86 86 PHE CA C 54.678 . . 906 86 86 PHE CB C 42.980 . . 907 86 86 PHE CD1 C 132.180 . . 908 86 86 PHE N N 114.461 . . 909 87 87 GLY H H 8.496 . . 910 87 87 GLY HA2 H 4.012 . . 911 87 87 GLY HA3 H 3.626 . . 912 87 87 GLY C C 170.423 . . 913 87 87 GLY CA C 45.930 . . 914 87 87 GLY N N 104.437 . . 915 88 88 CYS H H 5.354 . . 916 88 88 CYS HA H 6.003 . . 917 88 88 CYS HB2 H 3.156 . . 918 88 88 CYS HB3 H 2.803 . . 919 88 88 CYS C C 174.425 . . 920 88 88 CYS CA C 56.538 . . 921 88 88 CYS CB C 31.301 . . 922 88 88 CYS N N 114.166 . . 923 89 89 GLY H H 8.404 . . 924 89 89 GLY HA2 H 5.301 . . 925 89 89 GLY HA3 H 4.306 . . 926 89 89 GLY C C 173.187 . . 927 89 89 GLY CA C 46.443 . . 928 89 89 GLY N N 109.463 . . 929 90 90 ASP H H 8.698 . . 930 90 90 ASP HA H 5.799 . . 931 90 90 ASP HB2 H 2.863 . . 932 90 90 ASP HB3 H 3.181 . . 933 90 90 ASP C C 176.095 . . 934 90 90 ASP CA C 52.553 . . 935 90 90 ASP CB C 43.255 . . 936 90 90 ASP N N 123.090 . . 937 91 91 GLN H H 9.675 . . 938 91 91 GLN HA H 3.696 . . 939 91 91 GLN HB2 H 2.161 . . 940 91 91 GLN HB3 H 0.485 . . 941 91 91 GLN HG2 H 1.792 . . 942 91 91 GLN HG3 H 2.175 . . 943 91 91 GLN HE21 H 6.467 . . 944 91 91 GLN HE22 H 9.594 . . 945 91 91 GLN C C 173.639 . . 946 91 91 GLN CA C 57.060 . . 947 91 91 GLN CB C 29.441 . . 948 91 91 GLN CG C 32.879 . . 949 91 91 GLN CD C 181.105 . . 950 91 91 GLN N N 123.780 . . 951 91 91 GLN NE2 N 111.492 . . 952 92 92 GLU H H 8.396 . . 953 92 92 GLU HA H 4.591 . . 954 92 92 GLU HB2 H 1.793 . . 955 92 92 GLU HB3 H 2.044 . . 956 92 92 GLU HG2 H 2.182 . . 957 92 92 GLU HG3 H 2.327 . . 958 92 92 GLU C C 177.247 . . 959 92 92 GLU CA C 57.336 . . 960 92 92 GLU CB C 30.770 . . 961 92 92 GLU CG C 36.576 . . 962 92 92 GLU N N 118.631 . . 963 93 93 ASP H H 7.779 . . 964 93 93 ASP HA H 4.282 . . 965 93 93 ASP HB2 H 2.287 . . 966 93 93 ASP HB3 H 1.619 . . 967 93 93 ASP C C 175.986 . . 968 93 93 ASP CA C 55.425 . . 969 93 93 ASP CB C 40.250 . . 970 93 93 ASP N N 120.889 . . 971 94 94 TYR H H 6.693 . . 972 94 94 TYR HA H 4.685 . . 973 94 94 TYR HB2 H 2.877 . . 974 94 94 TYR HB3 H 2.722 . . 975 94 94 TYR HD1 H 6.460 . . 976 94 94 TYR HD2 H 5.970 . . 977 94 94 TYR HE1 H 5.460 . . 978 94 94 TYR HE2 H 5.420 . . 979 94 94 TYR C C 175.519 . . 980 94 94 TYR CA C 56.379 . . 981 94 94 TYR CB C 36.842 . . 982 94 94 TYR CD1 C 132.690 . . 983 94 94 TYR CD2 C 132.690 . . 984 94 94 TYR N N 117.028 . . 985 95 95 ALA H H 6.962 . . 986 95 95 ALA HA H 4.156 . . 987 95 95 ALA HB H 1.637 . . 988 95 95 ALA C C 179.723 . . 989 95 95 ALA CA C 55.923 . . 990 95 95 ALA CB C 20.555 . . 991 95 95 ALA N N 121.950 . . 992 96 96 GLU H H 9.327 . . 993 96 96 GLU HA H 4.306 . . 994 96 96 GLU HB2 H 1.805 . . 995 96 96 GLU HB3 H 1.640 . . 996 96 96 GLU HG2 H 2.112 . . 997 96 96 GLU HG3 H 1.992 . . 998 96 96 GLU C C 174.684 . . 999 96 96 GLU CA C 56.985 . . 1000 96 96 GLU CB C 29.176 . . 1001 96 96 GLU CG C 37.145 . . 1002 96 96 GLU N N 115.884 . . 1003 97 97 TYR H H 8.175 . . 1004 97 97 TYR HA H 5.409 . . 1005 97 97 TYR HB2 H 3.729 . . 1006 97 97 TYR HB3 H 2.605 . . 1007 97 97 TYR HD1 H 7.230 . . 1008 97 97 TYR HE1 H 7.040 . . 1009 97 97 TYR C C 179.953 . . 1010 97 97 TYR CA C 56.442 . . 1011 97 97 TYR CB C 41.292 . . 1012 97 97 TYR CD1 C 133.691 . . 1013 97 97 TYR CE1 C 118.940 . . 1014 97 97 TYR N N 121.836 . . 1015 98 98 PHE H H 7.889 . . 1016 98 98 PHE HA H 5.137 . . 1017 98 98 PHE HB2 H 3.312 . . 1018 98 98 PHE HB3 H 2.796 . . 1019 98 98 PHE C C 174.742 . . 1020 98 98 PHE CA C 58.663 . . 1021 98 98 PHE CB C 38.655 . . 1022 98 98 PHE N N 124.580 . . 1023 99 99 CYS H H 8.617 . . 1024 99 99 CYS HA H 3.652 . . 1025 99 99 CYS HB2 H 2.394 . . 1026 99 99 CYS HB3 H 1.792 . . 1027 99 99 CYS C C 175.087 . . 1028 99 99 CYS CA C 62.876 . . 1029 99 99 CYS CB C 24.000 . . 1030 99 99 CYS N N 120.329 . . 1031 100 100 ASP H H 7.104 . . 1032 100 100 ASP HA H 3.945 . . 1033 100 100 ASP HB2 H 2.683 . . 1034 100 100 ASP HB3 H 2.522 . . 1035 100 100 ASP C C 178.888 . . 1036 100 100 ASP CA C 58.128 . . 1037 100 100 ASP CB C 41.950 . . 1038 100 100 ASP N N 116.705 . . 1039 101 101 ALA H H 8.716 . . 1040 101 101 ALA HA H 4.151 . . 1041 101 101 ALA HB H 1.158 . . 1042 101 101 ALA C C 178.600 . . 1043 101 101 ALA CA C 54.397 . . 1044 101 101 ALA CB C 18.810 . . 1045 101 101 ALA N N 118.631 . . 1046 102 102 LEU H H 7.171 . . 1047 102 102 LEU HA H 3.614 . . 1048 102 102 LEU HB2 H 1.653 . . 1049 102 102 LEU HB3 H 1.016 . . 1050 102 102 LEU HG H 1.407 . . 1051 102 102 LEU HD1 H 0.332 . . 1052 102 102 LEU HD2 H 0.290 . . 1053 102 102 LEU C C 179.573 . . 1054 102 102 LEU CA C 57.844 . . 1055 102 102 LEU CB C 42.714 . . 1056 102 102 LEU CG C 26.519 . . 1057 102 102 LEU CD1 C 24.820 . . 1058 102 102 LEU CD2 C 22.235 . . 1059 102 102 LEU N N 115.083 . . 1060 103 103 GLY H H 7.365 . . 1061 103 103 GLY HA2 H 3.921 . . 1062 103 103 GLY HA3 H 3.523 . . 1063 103 103 GLY C C 175.145 . . 1064 103 103 GLY CA C 46.708 . . 1065 103 103 GLY N N 104.501 . . 1066 104 104 THR H H 7.343 . . 1067 104 104 THR HA H 3.737 . . 1068 104 104 THR HB H 4.096 . . 1069 104 104 THR HG2 H 1.144 . . 1070 104 104 THR C C 176.354 . . 1071 104 104 THR CA C 65.799 . . 1072 104 104 THR CB C 67.961 . . 1073 104 104 THR CG2 C 23.066 . . 1074 104 104 THR N N 118.860 . . 1075 105 105 ILE H H 7.589 . . 1076 105 105 ILE HA H 3.504 . . 1077 105 105 ILE HB H 1.365 . . 1078 105 105 ILE HG12 H 1.171 . . 1079 105 105 ILE HG13 H 0.706 . . 1080 105 105 ILE HG2 H 0.736 . . 1081 105 105 ILE HD1 H -0.190 . . 1082 105 105 ILE C C 177.391 . . 1083 105 105 ILE CA C 65.550 . . 1084 105 105 ILE CB C 37.750 . . 1085 105 105 ILE CG1 C 29.942 . . 1086 105 105 ILE CG2 C 18.549 . . 1087 105 105 ILE CD1 C 12.971 . . 1088 105 105 ILE N N 118.663 . . 1089 106 106 ARG H H 7.307 . . 1090 106 106 ARG HA H 3.580 . . 1091 106 106 ARG HB2 H 1.711 . . 1092 106 106 ARG HB3 H 2.221 . . 1093 106 106 ARG HG2 H 1.406 . . 1094 106 106 ARG HG3 H 1.773 . . 1095 106 106 ARG HD2 H 3.140 . . 1096 106 106 ARG HD3 H 3.229 . . 1097 106 106 ARG HE H 7.270 . . 1098 106 106 ARG C C 176.614 . . 1099 106 106 ARG CA C 60.267 . . 1100 106 106 ARG CB C 27.316 . . 1101 106 106 ARG CG C 24.659 . . 1102 106 106 ARG CD C 42.724 . . 1103 106 106 ARG N N 126.041 . . 1104 106 106 ARG NE N 113.869 . . 1105 107 107 ASP H H 8.202 . . 1106 107 107 ASP HA H 4.348 . . 1107 107 107 ASP HB2 H 2.654 . . 1108 107 107 ASP HB3 H 2.772 . . 1109 107 107 ASP C C 177.189 . . 1110 107 107 ASP CA C 56.500 . . 1111 107 107 ASP CB C 39.674 . . 1112 107 107 ASP N N 117.480 . . 1113 108 108 ILE H H 7.107 . . 1114 108 108 ILE HA H 3.856 . . 1115 108 108 ILE HB H 1.542 . . 1116 108 108 ILE HG12 H 0.780 . . 1117 108 108 ILE HG13 H 1.568 . . 1118 108 108 ILE HG2 H 0.696 . . 1119 108 108 ILE HD1 H 0.037 . . 1120 108 108 ILE C C 178.427 . . 1121 108 108 ILE CA C 63.977 . . 1122 108 108 ILE CB C 39.451 . . 1123 108 108 ILE CG1 C 28.113 . . 1124 108 108 ILE CG2 C 17.487 . . 1125 108 108 ILE CD1 C 13.502 . . 1126 108 108 ILE N N 117.715 . . 1127 109 109 ILE H H 7.501 . . 1128 109 109 ILE HA H 3.735 . . 1129 109 109 ILE HB H 0.688 . . 1130 109 109 ILE HG12 H 1.286 . . 1131 109 109 ILE HG13 H 1.022 . . 1132 109 109 ILE HG2 H 0.246 . . 1133 109 109 ILE HD1 H 0.420 . . 1134 109 109 ILE C C 177.305 . . 1135 109 109 ILE CA C 64.605 . . 1136 109 109 ILE CB C 37.411 . . 1137 109 109 ILE CG1 C 25.047 . . 1138 109 109 ILE CG2 C 17.901 . . 1139 109 109 ILE CD1 C 15.096 . . 1140 109 109 ILE N N 111.534 . . 1141 110 110 GLU H H 8.867 . . 1142 110 110 GLU HA H 4.298 . . 1143 110 110 GLU HB2 H 2.354 . . 1144 110 110 GLU HB3 H 2.052 . . 1145 110 110 GLU HG2 H 2.407 . . 1146 110 110 GLU HG3 H 2.287 . . 1147 110 110 GLU C C 177.391 . . 1148 110 110 GLU CA C 62.331 . . 1149 110 110 GLU CB C 27.848 . . 1150 110 110 GLU CG C 38.208 . . 1151 110 110 GLU N N 127.123 . . 1152 111 111 PRO HA H 4.616 . . 1153 111 111 PRO HB2 H 1.833 . . 1154 111 111 PRO HB3 H 2.441 . . 1155 111 111 PRO HG2 H 2.081 . . 1156 111 111 PRO HD2 H 3.478 . . 1157 111 111 PRO HD3 H 3.720 . . 1158 111 111 PRO C C 177.417 . . 1159 111 111 PRO CA C 65.235 . . 1160 111 111 PRO CB C 31.035 . . 1161 111 111 PRO CG C 28.377 . . 1162 111 111 PRO CD C 50.959 . . 1163 112 112 ARG H H 6.542 . . 1164 112 112 ARG HA H 4.568 . . 1165 112 112 ARG HB2 H 1.825 . . 1166 112 112 ARG HB3 H 2.860 . . 1167 112 112 ARG HG2 H 2.030 . . 1168 112 112 ARG HG3 H 1.838 . . 1169 112 112 ARG HD2 H 3.491 . . 1170 112 112 ARG HD3 H 3.407 . . 1171 112 112 ARG HE H 7.595 . . 1172 112 112 ARG C C 175.792 . . 1173 112 112 ARG CA C 55.741 . . 1174 112 112 ARG CB C 30.504 . . 1175 112 112 ARG CG C 27.750 . . 1176 112 112 ARG CD C 42.458 . . 1177 112 112 ARG N N 114.612 . . 1178 112 112 ARG NE N 115.769 . . 1179 113 113 GLY H H 7.845 . . 1180 113 113 GLY HA2 H 3.759 . . 1181 113 113 GLY HA3 H 4.406 . . 1182 113 113 GLY C C 174.347 . . 1183 113 113 GLY CA C 45.640 . . 1184 113 113 GLY N N 106.474 . . 1185 114 114 ALA H H 7.535 . . 1186 114 114 ALA HA H 4.279 . . 1187 114 114 ALA HB H 0.943 . . 1188 114 114 ALA C C 176.785 . . 1189 114 114 ALA CA C 53.391 . . 1190 114 114 ALA CB C 19.612 . . 1191 114 114 ALA N N 122.280 . . 1192 115 115 THR H H 7.902 . . 1193 115 115 THR HA H 4.478 . . 1194 115 115 THR HB H 4.332 . . 1195 115 115 THR HG2 H 1.202 . . 1196 115 115 THR C C 172.963 . . 1197 115 115 THR CA C 62.825 . . 1198 115 115 THR CB C 69.501 . . 1199 115 115 THR CG2 C 20.940 . . 1200 115 115 THR N N 120.909 . . 1201 116 116 ILE H H 8.784 . . 1202 116 116 ILE HA H 5.297 . . 1203 116 116 ILE HB H 1.932 . . 1204 116 116 ILE HG12 H 1.532 . . 1205 116 116 ILE HG13 H 0.826 . . 1206 116 116 ILE HG2 H 1.141 . . 1207 116 116 ILE HD1 H 0.834 . . 1208 116 116 ILE C C 177.056 . . 1209 116 116 ILE CA C 60.523 . . 1210 116 116 ILE CB C 38.300 . . 1211 116 116 ILE CG1 C 28.520 . . 1212 116 116 ILE CG2 C 18.018 . . 1213 116 116 ILE CD1 C 13.768 . . 1214 116 116 ILE N N 129.162 . . 1215 117 117 VAL H H 8.812 . . 1216 117 117 VAL HA H 4.594 . . 1217 117 117 VAL HB H 2.350 . . 1218 117 117 VAL HG1 H 0.618 . . 1219 117 117 VAL HG2 H 0.815 . . 1220 117 117 VAL C C 175.190 . . 1221 117 117 VAL CA C 58.929 . . 1222 117 117 VAL CB C 32.364 . . 1223 117 117 VAL CG1 C 17.753 . . 1224 117 117 VAL CG2 C 21.206 . . 1225 117 117 VAL N N 122.981 . . 1226 118 118 GLY H H 9.297 . . 1227 118 118 GLY HA2 H 3.770 . . 1228 118 118 GLY HA3 H 4.328 . . 1229 118 118 GLY C C 175.792 . . 1230 118 118 GLY CA C 47.746 . . 1231 118 118 GLY N N 108.558 . . 1232 119 119 HIS H H 8.901 . . 1233 119 119 HIS HA H 4.772 . . 1234 119 119 HIS HB2 H 2.979 . . 1235 119 119 HIS HB3 H 3.174 . . 1236 119 119 HIS C C 175.866 . . 1237 119 119 HIS CA C 55.602 . . 1238 119 119 HIS CB C 28.856 . . 1239 119 119 HIS N N 118.402 . . 1240 120 120 TRP H H 8.455 . . 1241 120 120 TRP HA H 6.293 . . 1242 120 120 TRP HB2 H 3.516 . . 1243 120 120 TRP HB3 H 3.238 . . 1244 120 120 TRP HD1 H 7.357 . . 1245 120 120 TRP HE1 H 10.171 . . 1246 120 120 TRP HE3 H 6.948 . . 1247 120 120 TRP HZ2 H 7.709 . . 1248 120 120 TRP HZ3 H 7.370 . . 1249 120 120 TRP HH2 H 7.438 . . 1250 120 120 TRP C C 173.113 . . 1251 120 120 TRP CA C 53.504 . . 1252 120 120 TRP CB C 35.286 . . 1253 120 120 TRP CD1 C 126.690 . . 1254 120 120 TRP CE3 C 117.800 . . 1255 120 120 TRP CZ2 C 114.314 . . 1256 120 120 TRP CZ3 C 126.810 . . 1257 120 120 TRP CH2 C 125.350 . . 1258 120 120 TRP N N 124.300 . . 1259 120 120 TRP NE1 N 129.610 . . 1260 121 121 PRO HA H 4.597 . . 1261 121 121 PRO HB2 H 1.795 . . 1262 121 121 PRO HB3 H 2.432 . . 1263 121 121 PRO HG2 H 1.806 . . 1264 121 121 PRO HD2 H 2.251 . . 1265 121 121 PRO HD3 H 4.118 . . 1266 121 121 PRO C C 176.243 . . 1267 121 121 PRO CA C 63.450 . . 1268 121 121 PRO CB C 32.097 . . 1269 121 121 PRO CG C 28.113 . . 1270 121 121 PRO CD C 52.022 . . 1271 122 122 THR H H 7.560 . . 1272 122 122 THR HA H 4.232 . . 1273 122 122 THR HB H 4.411 . . 1274 122 122 THR HG2 H 0.169 . . 1275 122 122 THR C C 176.424 . . 1276 122 122 THR CA C 62.079 . . 1277 122 122 THR CB C 68.758 . . 1278 122 122 THR CG2 C 21.737 . . 1279 122 122 THR N N 110.568 . . 1280 123 123 ALA H H 7.144 . . 1281 123 123 ALA HA H 4.269 . . 1282 123 123 ALA HB H 1.369 . . 1283 123 123 ALA C C 178.862 . . 1284 123 123 ALA CA C 53.882 . . 1285 123 123 ALA CB C 18.284 . . 1286 123 123 ALA N N 126.038 . . 1287 124 124 GLY H H 9.058 . . 1288 124 124 GLY HA2 H 3.657 . . 1289 124 124 GLY HA3 H 4.235 . . 1290 124 124 GLY C C 173.775 . . 1291 124 124 GLY CA C 45.381 . . 1292 124 124 GLY N N 111.468 . . 1293 125 125 TYR H H 8.008 . . 1294 125 125 TYR HA H 4.942 . . 1295 125 125 TYR HB2 H 3.468 . . 1296 125 125 TYR HB3 H 2.864 . . 1297 125 125 TYR HD1 H 7.237 . . 1298 125 125 TYR HE1 H 6.999 . . 1299 125 125 TYR C C 175.581 . . 1300 125 125 TYR CA C 56.762 . . 1301 125 125 TYR CB C 40.550 . . 1302 125 125 TYR CD1 C 131.690 . . 1303 125 125 TYR N N 119.088 . . 1304 126 126 HIS H H 9.512 . . 1305 126 126 HIS HA H 5.013 . . 1306 126 126 HIS HB2 H 3.227 . . 1307 126 126 HIS HB3 H 3.059 . . 1308 126 126 HIS C C 171.969 . . 1309 126 126 HIS CA C 54.147 . . 1310 126 126 HIS CB C 28.387 . . 1311 126 126 HIS N N 121.799 . . 1312 127 127 PHE H H 7.397 . . 1313 127 127 PHE HA H 4.923 . . 1314 127 127 PHE HB2 H 2.730 . . 1315 127 127 PHE HB3 H 3.466 . . 1316 127 127 PHE C C 172.722 . . 1317 127 127 PHE CA C 55.300 . . 1318 127 127 PHE CB C 39.754 . . 1319 127 127 PHE N N 117.258 . . 1320 128 128 GLU H H 8.492 . . 1321 128 128 GLU HA H 4.363 . . 1322 128 128 GLU HB2 H 1.603 . . 1323 128 128 GLU HB3 H 1.930 . . 1324 128 128 GLU HG2 H 2.233 . . 1325 128 128 GLU HG3 H 2.199 . . 1326 128 128 GLU C C 176.033 . . 1327 128 128 GLU CA C 57.068 . . 1328 128 128 GLU CB C 31.832 . . 1329 128 128 GLU CG C 35.701 . . 1330 128 128 GLU N N 120.484 . . 1331 129 129 ALA H H 9.155 . . 1332 129 129 ALA HA H 4.698 . . 1333 129 129 ALA HB H 1.442 . . 1334 129 129 ALA C C 174.016 . . 1335 129 129 ALA CA C 52.454 . . 1336 129 129 ALA CB C 22.003 . . 1337 129 129 ALA N N 123.500 . . 1338 130 130 SER H H 8.101 . . 1339 130 130 SER HA H 4.942 . . 1340 130 130 SER HB2 H 3.241 . . 1341 130 130 SER HB3 H 3.889 . . 1342 130 130 SER C C 176.665 . . 1343 130 130 SER CA C 57.471 . . 1344 130 130 SER CB C 67.205 . . 1345 130 130 SER N N 110.807 . . 1346 131 131 LYS H H 9.690 . . 1347 131 131 LYS HA H 4.449 . . 1348 131 131 LYS HB2 H 1.655 . . 1349 131 131 LYS HB3 H 2.177 . . 1350 131 131 LYS HG2 H 1.528 . . 1351 131 131 LYS HG3 H 1.646 . . 1352 131 131 LYS HD2 H 1.720 . . 1353 131 131 LYS HE2 H 3.037 . . 1354 131 131 LYS HE3 H 2.982 . . 1355 131 131 LYS C C 176.533 . . 1356 131 131 LYS CA C 56.900 . . 1357 131 131 LYS CB C 32.629 . . 1358 131 131 LYS CG C 25.988 . . 1359 131 131 LYS CD C 29.369 . . 1360 131 131 LYS CE C 42.296 . . 1361 131 131 LYS N N 129.963 . . 1362 132 132 GLY H H 9.187 . . 1363 132 132 GLY HA2 H 4.034 . . 1364 132 132 GLY HA3 H 3.324 . . 1365 132 132 GLY C C 173.354 . . 1366 132 132 GLY CA C 45.646 . . 1367 132 132 GLY N N 107.870 . . 1368 133 133 LEU H H 7.098 . . 1369 133 133 LEU HA H 4.643 . . 1370 133 133 LEU HB2 H 1.771 . . 1371 133 133 LEU HB3 H 1.681 . . 1372 133 133 LEU HG H 1.689 . . 1373 133 133 LEU HD1 H 0.420 . . 1374 133 133 LEU HD2 H 1.021 . . 1375 133 133 LEU C C 177.748 . . 1376 133 133 LEU CA C 55.476 . . 1377 133 133 LEU CB C 40.504 . . 1378 133 133 LEU CG C 26.770 . . 1379 133 133 LEU CD1 C 22.800 . . 1380 133 133 LEU CD2 C 25.722 . . 1381 133 133 LEU N N 119.088 . . 1382 134 134 ALA H H 9.154 . . 1383 134 134 ALA HA H 4.237 . . 1384 134 134 ALA HB H 0.624 . . 1385 134 134 ALA C C 176.695 . . 1386 134 134 ALA CA C 52.288 . . 1387 134 134 ALA CB C 19.612 . . 1388 134 134 ALA N N 125.720 . . 1389 135 135 ASP H H 8.299 . . 1390 135 135 ASP HA H 4.529 . . 1391 135 135 ASP HB2 H 3.033 . . 1392 135 135 ASP HB3 H 3.174 . . 1393 135 135 ASP C C 175.130 . . 1394 135 135 ASP CA C 52.960 . . 1395 135 135 ASP CB C 40.528 . . 1396 135 135 ASP N N 114.952 . . 1397 136 136 ASP H H 8.433 . . 1398 136 136 ASP HA H 4.335 . . 1399 136 136 ASP HB2 H 2.545 . . 1400 136 136 ASP HB3 H 2.701 . . 1401 136 136 ASP C C 176.303 . . 1402 136 136 ASP CA C 57.844 . . 1403 136 136 ASP CB C 40.864 . . 1404 136 136 ASP N N 114.870 . . 1405 137 137 ASP H H 8.232 . . 1406 137 137 ASP HA H 4.831 . . 1407 137 137 ASP HB2 H 2.518 . . 1408 137 137 ASP HB3 H 2.422 . . 1409 137 137 ASP C C 176.514 . . 1410 137 137 ASP CA C 53.317 . . 1411 137 137 ASP CB C 42.458 . . 1412 137 137 ASP N N 113.709 . . 1413 138 138 HIS H H 7.764 . . 1414 138 138 HIS HA H 5.282 . . 1415 138 138 HIS HB2 H 3.141 . . 1416 138 138 HIS HB3 H 2.809 . . 1417 138 138 HIS C C 175.130 . . 1418 138 138 HIS CA C 56.599 . . 1419 138 138 HIS CB C 32.000 . . 1420 138 138 HIS N N 117.829 . . 1421 139 139 PHE H H 9.955 . . 1422 139 139 PHE HA H 5.019 . . 1423 139 139 PHE HB2 H 3.277 . . 1424 139 139 PHE HB3 H 3.666 . . 1425 139 139 PHE HD2 H 6.928 . . 1426 139 139 PHE HE2 H 6.265 . . 1427 139 139 PHE C C 177.477 . . 1428 139 139 PHE CA C 58.559 . . 1429 139 139 PHE CB C 42.872 . . 1430 139 139 PHE CD2 C 131.500 . . 1431 139 139 PHE CE2 C 130.820 . . 1432 139 139 PHE N N 123.553 . . 1433 140 140 VAL H H 9.178 . . 1434 140 140 VAL HA H 3.678 . . 1435 140 140 VAL HB H 1.725 . . 1436 140 140 VAL HG1 H 0.719 . . 1437 140 140 VAL HG2 H 1.006 . . 1438 140 140 VAL C C 173.023 . . 1439 140 140 VAL CA C 62.117 . . 1440 140 140 VAL CB C 32.536 . . 1441 140 140 VAL CG1 C 20.940 . . 1442 140 140 VAL CG2 C 22.534 . . 1443 140 140 VAL N N 119.420 . . 1444 141 141 GLY H H 6.837 . . 1445 141 141 GLY HA2 H 4.054 . . 1446 141 141 GLY HA3 H 4.996 . . 1447 141 141 GLY C C 171.284 . . 1448 141 141 GLY CA C 44.721 . . 1449 141 141 GLY N N 105.680 . . 1450 142 142 LEU H H 7.423 . . 1451 142 142 LEU HA H 3.047 . . 1452 142 142 LEU HB2 H 0.078 . . 1453 142 142 LEU HB3 H -1.701 . . 1454 142 142 LEU HG H -0.077 . . 1455 142 142 LEU HD1 H -0.684 . . 1456 142 142 LEU HD2 H 0.500 . . 1457 142 142 LEU C C 173.725 . . 1458 142 142 LEU CA C 55.704 . . 1459 142 142 LEU CB C 38.739 . . 1460 142 142 LEU CG C 24.925 . . 1461 142 142 LEU CD1 C 20.144 . . 1462 142 142 LEU CD2 C 24.925 . . 1463 142 142 LEU N N 118.516 . . 1464 143 143 ALA H H 5.414 . . 1465 143 143 ALA HA H 4.474 . . 1466 143 143 ALA HB H 0.161 . . 1467 143 143 ALA C C 175.685 . . 1468 143 143 ALA CA C 49.631 . . 1469 143 143 ALA CB C 19.847 . . 1470 143 143 ALA N N 128.382 . . 1471 144 144 ILE H H 8.849 . . 1472 144 144 ILE HA H 4.315 . . 1473 144 144 ILE HB H 2.284 . . 1474 144 144 ILE HG12 H 0.854 . . 1475 144 144 ILE HG13 H 1.012 . . 1476 144 144 ILE HG2 H 0.941 . . 1477 144 144 ILE HD1 H 0.641 . . 1478 144 144 ILE C C 173.725 . . 1479 144 144 ILE CA C 56.721 . . 1480 144 144 ILE CB C 37.630 . . 1481 144 144 ILE CG1 C 25.722 . . 1482 144 144 ILE CG2 C 19.546 . . 1483 144 144 ILE CD1 C 78.322 . . 1484 144 144 ILE N N 126.754 . . 1485 145 145 ASP H H 8.088 . . 1486 145 145 ASP HA H 5.796 . . 1487 145 145 ASP HB2 H 2.489 . . 1488 145 145 ASP HB3 H 2.989 . . 1489 145 145 ASP C C 176.830 . . 1490 145 145 ASP CA C 52.553 . . 1491 145 145 ASP CB C 43.502 . . 1492 145 145 ASP N N 125.518 . . 1493 146 146 GLU H H 8.390 . . 1494 146 146 GLU HA H 4.663 . . 1495 146 146 GLU HB2 H 1.663 . . 1496 146 146 GLU HB3 H 2.224 . . 1497 146 146 GLU C C 177.132 . . 1498 146 146 GLU CA C 56.273 . . 1499 146 146 GLU CB C 32.250 . . 1500 146 146 GLU N N 125.475 . . 1501 147 147 ASP H H 8.599 . . 1502 147 147 ASP HA H 4.567 . . 1503 147 147 ASP HB2 H 2.479 . . 1504 147 147 ASP HB3 H 3.065 . . 1505 147 147 ASP C C 178.126 . . 1506 147 147 ASP CA C 58.001 . . 1507 147 147 ASP CB C 43.250 . . 1508 147 147 ASP N N 120.137 . . 1509 148 148 ARG H H 9.762 . . 1510 148 148 ARG HA H 4.698 . . 1511 148 148 ARG HB2 H 2.129 . . 1512 148 148 ARG HB3 H 1.960 . . 1513 148 148 ARG HD2 H 3.084 . . 1514 148 148 ARG HD3 H 2.875 . . 1515 148 148 ARG HE H 8.174 . . 1516 148 148 ARG C C 177.704 . . 1517 148 148 ARG CA C 52.960 . . 1518 148 148 ARG CB C 30.814 . . 1519 148 148 ARG CG C 26.787 . . 1520 148 148 ARG CD C 40.862 . . 1521 148 148 ARG N N 115.655 . . 1522 148 148 ARG NE N 114.330 . . 1523 149 149 GLN H H 7.622 . . 1524 149 149 GLN HA H 5.299 . . 1525 149 149 GLN HB2 H 2.197 . . 1526 149 149 GLN HB3 H 1.971 . . 1527 149 149 GLN HG2 H 2.555 . . 1528 149 149 GLN HG3 H 1.987 . . 1529 149 149 GLN C C 175.142 . . 1530 149 149 GLN CA C 53.401 . . 1531 149 149 GLN CB C 30.841 . . 1532 149 149 GLN CG C 33.465 . . 1533 149 149 GLN N N 116.313 . . 1534 150 150 PRO HA H 4.681 . . 1535 150 150 PRO HB2 H 2.121 . . 1536 150 150 PRO HB3 H 2.515 . . 1537 150 150 PRO HG2 H 2.110 . . 1538 150 150 PRO HD2 H 3.477 . . 1539 150 150 PRO HD3 H 3.726 . . 1540 150 150 PRO C C 179.483 . . 1541 150 150 PRO CA C 65.326 . . 1542 150 150 PRO CB C 30.652 . . 1543 150 150 PRO CG C 27.316 . . 1544 150 150 PRO CD C 50.959 . . 1545 151 151 GLU H H 10.520 . . 1546 151 151 GLU HA H 4.401 . . 1547 151 151 GLU HB2 H 2.134 . . 1548 151 151 GLU HB3 H 2.094 . . 1549 151 151 GLU HG2 H 2.186 . . 1550 151 151 GLU HG3 H 2.533 . . 1551 151 151 GLU C C 177.041 . . 1552 151 151 GLU CA C 58.398 . . 1553 151 151 GLU CB C 27.582 . . 1554 151 151 GLU CG C 35.551 . . 1555 151 151 GLU N N 122.981 . . 1556 152 152 LEU H H 7.589 . . 1557 152 152 LEU HA H 4.691 . . 1558 152 152 LEU HB2 H 1.627 . . 1559 152 152 LEU HB3 H 1.680 . . 1560 152 152 LEU HG H 1.525 . . 1561 152 152 LEU HD1 H 0.824 . . 1562 152 152 LEU HD2 H 0.901 . . 1563 152 152 LEU C C 177.222 . . 1564 152 152 LEU CA C 54.309 . . 1565 152 152 LEU CB C 41.935 . . 1566 152 152 LEU CG C 26.568 . . 1567 152 152 LEU CD1 C 25.628 . . 1568 152 152 LEU CD2 C 22.068 . . 1569 152 152 LEU N N 120.119 . . 1570 153 153 THR H H 7.469 . . 1571 153 153 THR HA H 3.592 . . 1572 153 153 THR HB H 4.280 . . 1573 153 153 THR HG2 H 1.087 . . 1574 153 153 THR C C 174.178 . . 1575 153 153 THR CA C 67.960 . . 1576 153 153 THR CB C 69.023 . . 1577 153 153 THR CG2 C 23.331 . . 1578 153 153 THR N N 119.637 . . 1579 154 154 ALA H H 9.077 . . 1580 154 154 ALA HA H 3.888 . . 1581 154 154 ALA HB H 1.442 . . 1582 154 154 ALA C C 180.417 . . 1583 154 154 ALA CA C 56.538 . . 1584 154 154 ALA CB C 17.222 . . 1585 154 154 ALA N N 123.665 . . 1586 155 155 GLU H H 8.647 . . 1587 155 155 GLU HA H 4.252 . . 1588 155 155 GLU HB2 H 2.139 . . 1589 155 155 GLU HB3 H 2.228 . . 1590 155 155 GLU HG2 H 2.396 . . 1591 155 155 GLU HG3 H 2.487 . . 1592 155 155 GLU C C 178.518 . . 1593 155 155 GLU CA C 58.818 . . 1594 155 155 GLU CB C 29.707 . . 1595 155 155 GLU CG C 36.614 . . 1596 155 155 GLU N N 119.661 . . 1597 156 156 ARG H H 8.129 . . 1598 156 156 ARG HA H 4.218 . . 1599 156 156 ARG HB2 H 1.686 . . 1600 156 156 ARG HB3 H 1.966 . . 1601 156 156 ARG HG2 H 2.171 . . 1602 156 156 ARG HG3 H 2.364 . . 1603 156 156 ARG HD2 H 2.920 . . 1604 156 156 ARG HD3 H 3.165 . . 1605 156 156 ARG HE H 7.581 . . 1606 156 156 ARG C C 177.252 . . 1607 156 156 ARG CA C 60.469 . . 1608 156 156 ARG CB C 31.023 . . 1609 156 156 ARG CG C 29.191 . . 1610 156 156 ARG CD C 43.629 . . 1611 156 156 ARG CZ C 179.193 . . 1612 156 156 ARG N N 120.739 . . 1613 156 156 ARG NE N 114.980 . . 1614 157 157 VAL H H 8.578 . . 1615 157 157 VAL HA H 3.319 . . 1616 157 157 VAL HB H 2.053 . . 1617 157 157 VAL HG1 H 0.709 . . 1618 157 157 VAL HG2 H 0.923 . . 1619 157 157 VAL C C 177.192 . . 1620 157 157 VAL CA C 67.400 . . 1621 157 157 VAL CB C 31.832 . . 1622 157 157 VAL CG1 C 22.003 . . 1623 157 157 VAL CG2 C 24.128 . . 1624 157 157 VAL N N 117.372 . . 1625 158 158 GLU H H 8.046 . . 1626 158 158 GLU HA H 4.197 . . 1627 158 158 GLU HB2 H 2.475 . . 1628 158 158 GLU HB3 H 2.406 . . 1629 158 158 GLU HG2 H 2.391 . . 1630 158 158 GLU HG3 H 2.150 . . 1631 158 158 GLU C C 179.995 . . 1632 158 158 GLU CA C 59.738 . . 1633 158 158 GLU CB C 29.177 . . 1634 158 158 GLU CG C 36.348 . . 1635 158 158 GLU N N 118.631 . . 1636 159 159 LYS H H 8.522 . . 1637 159 159 LYS HA H 4.186 . . 1638 159 159 LYS HB2 H 2.395 . . 1639 159 159 LYS HG2 H 1.790 . . 1640 159 159 LYS HG3 H 1.999 . . 1641 159 159 LYS HD2 H 1.983 . . 1642 159 159 LYS HE2 H 3.163 . . 1643 159 159 LYS C C 179.844 . . 1644 159 159 LYS CA C 59.995 . . 1645 159 159 LYS CB C 33.692 . . 1646 159 159 LYS CG C 26.519 . . 1647 159 159 LYS CD C 29.598 . . 1648 159 159 LYS CE C 42.458 . . 1649 159 159 LYS N N 118.860 . . 1650 160 160 TRP H H 9.076 . . 1651 160 160 TRP HA H 4.370 . . 1652 160 160 TRP HB2 H 2.401 . . 1653 160 160 TRP HB3 H 2.892 . . 1654 160 160 TRP HD1 H 7.410 . . 1655 160 160 TRP HE1 H 11.260 . . 1656 160 160 TRP HE3 H 6.990 . . 1657 160 160 TRP HZ2 H 7.940 . . 1658 160 160 TRP HZ3 H 6.476 . . 1659 160 160 TRP HH2 H 6.698 . . 1660 160 160 TRP C C 178.006 . . 1661 160 160 TRP CA C 62.814 . . 1662 160 160 TRP CB C 28.792 . . 1663 160 160 TRP CD1 C 126.600 . . 1664 160 160 TRP CE3 C 119.060 . . 1665 160 160 TRP CZ2 C 116.800 . . 1666 160 160 TRP CZ3 C 120.600 . . 1667 160 160 TRP CH2 C 123.300 . . 1668 160 160 TRP N N 125.100 . . 1669 160 160 TRP NE1 N 103.522 . . 1670 161 161 VAL H H 9.024 . . 1671 161 161 VAL HA H 3.370 . . 1672 161 161 VAL HB H 2.199 . . 1673 161 161 VAL HG1 H 0.711 . . 1674 161 161 VAL HG2 H 1.107 . . 1675 161 161 VAL C C 179.392 . . 1676 161 161 VAL CA C 67.004 . . 1677 161 161 VAL CB C 30.350 . . 1678 161 161 VAL CG1 C 22.034 . . 1679 161 161 VAL CG2 C 26.700 . . 1680 161 161 VAL N N 118.402 . . 1681 162 162 LYS H H 7.820 . . 1682 162 162 LYS HA H 4.002 . . 1683 162 162 LYS HB2 H 2.045 . . 1684 162 162 LYS HG2 H 1.635 . . 1685 162 162 LYS HG3 H 1.528 . . 1686 162 162 LYS HD2 H 1.770 . . 1687 162 162 LYS HE2 H 3.037 . . 1688 162 162 LYS HE3 H 2.983 . . 1689 162 162 LYS C C 178.759 . . 1690 162 162 LYS CA C 60.372 . . 1691 162 162 LYS CB C 32.364 . . 1692 162 162 LYS CG C 25.750 . . 1693 162 162 LYS CD C 29.441 . . 1694 162 162 LYS CE C 42.429 . . 1695 162 162 LYS N N 123.209 . . 1696 163 163 GLN H H 8.126 . . 1697 163 163 GLN HA H 4.190 . . 1698 163 163 GLN HB2 H 2.413 . . 1699 163 163 GLN HB3 H 2.478 . . 1700 163 163 GLN HG2 H 2.534 . . 1701 163 163 GLN HG3 H 2.267 . . 1702 163 163 GLN C C 179.935 . . 1703 163 163 GLN CA C 59.726 . . 1704 163 163 GLN CB C 29.022 . . 1705 163 163 GLN CG C 32.595 . . 1706 163 163 GLN N N 121.722 . . 1707 164 164 ILE H H 9.110 . . 1708 164 164 ILE HA H 3.990 . . 1709 164 164 ILE HB H 1.366 . . 1710 164 164 ILE HG12 H 1.022 . . 1711 164 164 ILE HG13 H 0.852 . . 1712 164 164 ILE HG2 H -0.031 . . 1713 164 164 ILE HD1 H 0.013 . . 1714 164 164 ILE C C 178.156 . . 1715 164 164 ILE CA C 65.176 . . 1716 164 164 ILE CB C 37.678 . . 1717 164 164 ILE CG1 C 25.604 . . 1718 164 164 ILE CG2 C 18.000 . . 1719 164 164 ILE CD1 C 14.565 . . 1720 164 164 ILE N N 114.390 . . 1721 165 165 SER H H 8.278 . . 1722 165 165 SER HA H 3.976 . . 1723 165 165 SER HB2 H 4.087 . . 1724 165 165 SER HB3 H 3.837 . . 1725 165 165 SER C C 176.438 . . 1726 165 165 SER CA C 63.180 . . 1727 165 165 SER CB C 62.383 . . 1728 165 165 SER N N 119.660 . . 1729 166 166 GLU H H 7.345 . . 1730 166 166 GLU HA H 4.210 . . 1731 166 166 GLU HB2 H 2.205 . . 1732 166 166 GLU HB3 H 2.243 . . 1733 166 166 GLU HG2 H 2.250 . . 1734 166 166 GLU HG3 H 2.455 . . 1735 166 166 GLU C C 179.965 . . 1736 166 166 GLU CA C 59.195 . . 1737 166 166 GLU CB C 29.244 . . 1738 166 166 GLU CG C 36.083 . . 1739 166 166 GLU N N 122.290 . . 1740 167 167 GLU H H 8.413 . . 1741 167 167 GLU HA H 3.939 . . 1742 167 167 GLU HB2 H 1.953 . . 1743 167 167 GLU HB3 H 2.042 . . 1744 167 167 GLU HG2 H 2.212 . . 1745 167 167 GLU HG3 H 2.652 . . 1746 167 167 GLU C C 178.518 . . 1747 167 167 GLU CA C 60.000 . . 1748 167 167 GLU CB C 30.800 . . 1749 167 167 GLU CG C 38.208 . . 1750 167 167 GLU N N 120.787 . . 1751 168 168 LEU H H 8.553 . . 1752 168 168 LEU HA H 4.137 . . 1753 168 168 LEU HB2 H 1.487 . . 1754 168 168 LEU HB3 H 1.823 . . 1755 168 168 LEU HG H 1.730 . . 1756 168 168 LEU HD1 H 0.846 . . 1757 168 168 LEU HD2 H 0.580 . . 1758 168 168 LEU C C 175.896 . . 1759 168 168 LEU CA C 54.780 . . 1760 168 168 LEU CB C 43.300 . . 1761 168 168 LEU CG C 25.592 . . 1762 168 168 LEU CD1 C 25.988 . . 1763 168 168 LEU CD2 C 25.191 . . 1764 168 168 LEU N N 115.420 . . 1765 169 169 HIS H H 7.550 . . 1766 169 169 HIS HA H 4.351 . . 1767 169 169 HIS HB2 H 3.361 . . 1768 169 169 HIS HB3 H 3.598 . . 1769 169 169 HIS HD2 H 7.237 . . 1770 169 169 HIS C C 175.835 . . 1771 169 169 HIS CA C 56.273 . . 1772 169 169 HIS CB C 25.722 . . 1773 169 169 HIS CD2 C 120.700 . . 1774 169 169 HIS N N 113.347 . . 1775 170 170 LEU H H 8.069 . . 1776 170 170 LEU HA H 4.003 . . 1777 170 170 LEU HB2 H 1.619 . . 1778 170 170 LEU HB3 H 1.705 . . 1779 170 170 LEU HG H 1.744 . . 1780 170 170 LEU HD1 H 0.829 . . 1781 170 170 LEU HD2 H 0.797 . . 1782 170 170 LEU C C 178.096 . . 1783 170 170 LEU CA C 57.968 . . 1784 170 170 LEU CB C 41.858 . . 1785 170 170 LEU CG C 27.000 . . 1786 170 170 LEU CD1 C 24.877 . . 1787 170 170 LEU CD2 C 23.597 . . 1788 170 170 LEU N N 117.250 . . 1789 171 171 ASP H H 8.732 . . 1790 171 171 ASP HA H 4.335 . . 1791 171 171 ASP HB2 H 2.654 . . 1792 171 171 ASP C C 177.915 . . 1793 171 171 ASP CA C 56.690 . . 1794 171 171 ASP CB C 40.060 . . 1795 171 171 ASP N N 117.300 . . 1796 172 172 GLU H H 7.804 . . 1797 172 172 GLU HA H 4.227 . . 1798 172 172 GLU HB2 H 2.190 . . 1799 172 172 GLU HG2 H 2.362 . . 1800 172 172 GLU C C 178.277 . . 1801 172 172 GLU CA C 58.132 . . 1802 172 172 GLU CB C 30.000 . . 1803 172 172 GLU CG C 36.660 . . 1804 172 172 GLU N N 119.203 . . 1805 173 173 ILE H H 7.787 . . 1806 173 173 ILE HA H 4.053 . . 1807 173 173 ILE HB H 1.986 . . 1808 173 173 ILE HG12 H 1.728 . . 1809 173 173 ILE HG13 H 1.274 . . 1810 173 173 ILE HG2 H 1.016 . . 1811 173 173 ILE HD1 H 0.964 . . 1812 173 173 ILE C C 178.006 . . 1813 173 173 ILE CA C 63.600 . . 1814 173 173 ILE CB C 39.000 . . 1815 173 173 ILE CG1 C 27.848 . . 1816 173 173 ILE CG2 C 17.753 . . 1817 173 173 ILE CD1 C 13.700 . . 1818 173 173 ILE N N 119.519 . . 1819 174 174 LEU H H 8.241 . . 1820 174 174 LEU HA H 4.286 . . 1821 174 174 LEU HB2 H 1.799 . . 1822 174 174 LEU HB3 H 1.589 . . 1823 174 174 LEU HG H 1.794 . . 1824 174 174 LEU HD1 H 0.955 . . 1825 174 174 LEU HD2 H 0.976 . . 1826 174 174 LEU C C 177.704 . . 1827 174 174 LEU CA C 56.273 . . 1828 174 174 LEU CB C 42.459 . . 1829 174 174 LEU CG C 26.935 . . 1830 174 174 LEU CD1 C 25.722 . . 1831 174 174 LEU CD2 C 23.597 . . 1832 174 174 LEU N N 121.260 . . 1833 175 175 ASN H H 7.883 . . 1834 175 175 ASN HA H 4.829 . . 1835 175 175 ASN HB2 H 2.760 . . 1836 175 175 ASN HB3 H 2.926 . . 1837 175 175 ASN HD21 H 7.726 . . 1838 175 175 ASN HD22 H 6.932 . . 1839 175 175 ASN C C 173.846 . . 1840 175 175 ASN CA C 53.222 . . 1841 175 175 ASN CB C 39.271 . . 1842 175 175 ASN N N 118.280 . . 1843 175 175 ASN ND2 N 114.499 . . 1844 176 176 ALA H H 7.588 . . 1845 176 176 ALA HA H 4.146 . . 1846 176 176 ALA HB H 1.428 . . 1847 176 176 ALA C C 182.708 . . 1848 176 176 ALA CA C 54.413 . . 1849 176 176 ALA CB C 20.140 . . 1850 176 176 ALA N N 129.933 . . stop_ save_