data_19152 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; holo_YqcA ; _BMRB_accession_number 19152 _BMRB_flat_file_name bmr19152.str _Entry_type original _Submission_date 2013-04-09 _Accession_date 2013-04-09 _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" 805 "13C chemical shifts" 627 "15N chemical shifts" 158 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-08-15 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 19151 'apo YqcA' stop_ _Original_release_date 2013-08-15 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (13)C and (15)N resonance assignments of the apo and holo states of flavodoxin YqcA from Escherichia coli.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23749454 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ye Qian . . 2 Hu Yunfei . . 3 Jin Changwen . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _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 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'holo YqcA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'holo YqcA' $holo_YqcA '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_holo_YqcA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common holo_YqcA _Molecular_mass 16281.191 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 149 _Mol_residue_sequence ; MAEIGIFVGTMYGNSLLVAE EAEAILTAQGHKATVFEDPE LSDWLPYQDKYVLVVTSTTG QGDLPDSIVPLFQGIKDSLG FQPNLRYGVIALGDSSYVNF CNGGKQFDALLQEQSAQRVG EMLLIDASENPEPETESNPW VEQWGTLLS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ALA 3 3 GLU 4 4 ILE 5 5 GLY 6 6 ILE 7 7 PHE 8 8 VAL 9 9 GLY 10 10 THR 11 11 MET 12 12 TYR 13 13 GLY 14 14 ASN 15 15 SER 16 16 LEU 17 17 LEU 18 18 VAL 19 19 ALA 20 20 GLU 21 21 GLU 22 22 ALA 23 23 GLU 24 24 ALA 25 25 ILE 26 26 LEU 27 27 THR 28 28 ALA 29 29 GLN 30 30 GLY 31 31 HIS 32 32 LYS 33 33 ALA 34 34 THR 35 35 VAL 36 36 PHE 37 37 GLU 38 38 ASP 39 39 PRO 40 40 GLU 41 41 LEU 42 42 SER 43 43 ASP 44 44 TRP 45 45 LEU 46 46 PRO 47 47 TYR 48 48 GLN 49 49 ASP 50 50 LYS 51 51 TYR 52 52 VAL 53 53 LEU 54 54 VAL 55 55 VAL 56 56 THR 57 57 SER 58 58 THR 59 59 THR 60 60 GLY 61 61 GLN 62 62 GLY 63 63 ASP 64 64 LEU 65 65 PRO 66 66 ASP 67 67 SER 68 68 ILE 69 69 VAL 70 70 PRO 71 71 LEU 72 72 PHE 73 73 GLN 74 74 GLY 75 75 ILE 76 76 LYS 77 77 ASP 78 78 SER 79 79 LEU 80 80 GLY 81 81 PHE 82 82 GLN 83 83 PRO 84 84 ASN 85 85 LEU 86 86 ARG 87 87 TYR 88 88 GLY 89 89 VAL 90 90 ILE 91 91 ALA 92 92 LEU 93 93 GLY 94 94 ASP 95 95 SER 96 96 SER 97 97 TYR 98 98 VAL 99 99 ASN 100 100 PHE 101 101 CYS 102 102 ASN 103 103 GLY 104 104 GLY 105 105 LYS 106 106 GLN 107 107 PHE 108 108 ASP 109 109 ALA 110 110 LEU 111 111 LEU 112 112 GLN 113 113 GLU 114 114 GLN 115 115 SER 116 116 ALA 117 117 GLN 118 118 ARG 119 119 VAL 120 120 GLY 121 121 GLU 122 122 MET 123 123 LEU 124 124 LEU 125 125 ILE 126 126 ASP 127 127 ALA 128 128 SER 129 129 GLU 130 130 ASN 131 131 PRO 132 132 GLU 133 133 PRO 134 134 GLU 135 135 THR 136 136 GLU 137 137 SER 138 138 ASN 139 139 PRO 140 140 TRP 141 141 VAL 142 142 GLU 143 143 GLN 144 144 TRP 145 145 GLY 146 146 THR 147 147 LEU 148 148 LEU 149 149 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 18154 entity 100.00 149 100.00 100.00 3.97e-103 BMRB 19151 entity 100.00 149 99.33 99.33 1.54e-102 BMRB 25013 YqcA 100.00 149 100.00 100.00 3.97e-103 BMRB 25014 YqcA 100.00 149 100.00 100.00 3.97e-103 PDB 2M6R Apo_yqca 100.00 149 99.33 99.33 1.54e-102 PDB 2M6S Holo_yqca 100.00 149 99.33 99.33 1.54e-102 DBJ BAB37073 "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" 100.00 149 100.00 100.00 3.97e-103 DBJ BAE76862 "predicted flavoprotein [Escherichia coli str. K12 substr. W3110]" 100.00 149 100.00 100.00 3.97e-103 DBJ BAG78574 "conserved hypothetical protein [Escherichia coli SE11]" 100.00 149 99.33 100.00 2.16e-102 DBJ BAI27051 "predicted flavoprotein [Escherichia coli O26:H11 str. 11368]" 100.00 149 99.33 100.00 2.16e-102 DBJ BAI32080 "predicted flavoprotein [Escherichia coli O103:H2 str. 12009]" 100.00 149 100.00 100.00 3.97e-103 EMBL CAP77223 "Uncharacterized protein yqcA [Escherichia coli LF82]" 100.00 149 97.32 98.66 1.45e-101 EMBL CAQ33114 "predicted flavoprotein [Escherichia coli BL21(DE3)]" 100.00 149 99.33 99.33 1.54e-102 EMBL CAQ99718 "putative flavoprotein [Escherichia coli IAI1]" 100.00 149 99.33 100.00 2.16e-102 EMBL CAR04300 "putative flavoprotein [Escherichia coli S88]" 100.00 149 98.66 99.33 2.41e-102 EMBL CAR09403 "putative flavoprotein [Escherichia coli ED1a]" 100.00 149 98.66 99.33 2.41e-102 GB AAB40440 "corresponds to hypothetical protein from E. carotovora PIR Accession Number S45107; ORF_f150 [Escherichia coli str. K-12 substr" 100.00 149 100.00 100.00 3.97e-103 GB AAC75832 "short-chain flavodoxin, FMN-binding [Escherichia coli str. K-12 substr. MG1655]" 100.00 149 100.00 100.00 3.97e-103 GB AAG57904 "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" 100.00 149 100.00 100.00 3.97e-103 GB AAN44291 "conserved hypothetical protein [Shigella flexneri 2a str. 301]" 100.00 149 100.00 100.00 3.97e-103 GB AAN81803 "Hypothetical protein yqcA [Escherichia coli CFT073]" 100.00 149 98.66 99.33 2.41e-102 REF NP_311677 "flavodoxin [Escherichia coli O157:H7 str. Sakai]" 100.00 149 100.00 100.00 3.97e-103 REF NP_417270 "short-chain flavodoxin, FMN-binding [Escherichia coli str. K-12 substr. MG1655]" 100.00 149 100.00 100.00 3.97e-103 REF NP_708584 "flavodoxin [Shigella flexneri 2a str. 301]" 100.00 149 100.00 100.00 3.97e-103 REF WP_000229279 "flavodoxin [Escherichia coli]" 100.00 149 97.32 97.99 8.67e-101 REF WP_000807726 "flavodoxin [Escherichia coli]" 100.00 149 99.33 100.00 1.41e-102 SP P65367 "RecName: Full=Uncharacterized protein YqcA" 100.00 149 100.00 100.00 3.97e-103 SP P65368 "RecName: Full=Uncharacterized protein YqcA" 100.00 149 100.00 100.00 3.97e-103 SP P65369 "RecName: Full=Uncharacterized protein YqcA" 100.00 149 100.00 100.00 3.97e-103 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 no _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 'not present' _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 _Strain $holo_YqcA 'E. coli' 562 Bacteria . Escherichia coli BL21(DE3) 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 $holo_YqcA 'recombinant technology' . Escherichia coli BL21(DE3) 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 $holo_YqcA 1 mM [U-15N] 'sodium phosphate' 30 mM 'natural abundance' 'FLAVIN MONONUCLEOTIDE' 50 mM 'natural abundance' 'sodium chloride' 30 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $holo_YqcA 1 mM '[U-13C; U-15N]' 'sodium phosphate' 30 mM 'natural abundance' 'FLAVIN MONONUCLEOTIDE' 50 mM 'natural abundance' 'sodium chloride' 30 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version v2.1 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 v9 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_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _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 pH 7.0 . 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 'holo YqcA' _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 4.257 . . 2 2 2 ALA HB H 1.050 . . 3 2 2 ALA C C 173.331 . . 4 2 2 ALA CA C 51.641 . . 5 2 2 ALA CB C 20.315 . . 6 3 3 GLU H H 8.728 . . 7 3 3 GLU HA H 5.295 . . 8 3 3 GLU HB2 H 2.218 . . 9 3 3 GLU HG2 H 2.412 . . 10 3 3 GLU HG3 H 2.337 . . 11 3 3 GLU C C 174.634 . . 12 3 3 GLU CA C 55.952 . . 13 3 3 GLU CB C 31.825 . . 14 3 3 GLU CG C 36.959 . . 15 3 3 GLU N N 122.603 . . 16 4 4 ILE H H 8.850 . . 17 4 4 ILE HA H 5.092 . . 18 4 4 ILE HB H 1.491 . . 19 4 4 ILE HG12 H 1.253 . . 20 4 4 ILE HG13 H 0.646 . . 21 4 4 ILE HG2 H 0.786 . . 22 4 4 ILE HD1 H 0.457 . . 23 4 4 ILE C C 175.485 . . 24 4 4 ILE CA C 59.930 . . 25 4 4 ILE CB C 43.739 . . 26 4 4 ILE CG1 C 27.944 . . 27 4 4 ILE CG2 C 19.040 . . 28 4 4 ILE CD1 C 18.515 . . 29 4 4 ILE N N 121.108 . . 30 5 5 GLY H H 8.366 . . 31 5 5 GLY HA2 H 4.374 . . 32 5 5 GLY HA3 H 2.189 . . 33 5 5 GLY C C 171.252 . . 34 5 5 GLY CA C 43.910 . . 35 5 5 GLY N N 120.022 . . 36 6 6 ILE H H 9.039 . . 37 6 6 ILE HA H 5.249 . . 38 6 6 ILE HB H 1.701 . . 39 6 6 ILE HG12 H 0.746 . . 40 6 6 ILE HG13 H 1.425 . . 41 6 6 ILE HG2 H 0.724 . . 42 6 6 ILE HD1 H 0.629 . . 43 6 6 ILE C C 173.960 . . 44 6 6 ILE CA C 60.061 . . 45 6 6 ILE CB C 38.103 . . 46 6 6 ILE CG1 C 26.959 . . 47 6 6 ILE CG2 C 17.363 . . 48 6 6 ILE CD1 C 13.860 . . 49 6 6 ILE N N 127.376 . . 50 7 7 PHE H H 8.921 . . 51 7 7 PHE HA H 4.728 . . 52 7 7 PHE HB2 H 2.783 . . 53 7 7 PHE HB3 H 2.769 . . 54 7 7 PHE HD1 H 7.116 . . 55 7 7 PHE HE1 H 6.627 . . 56 7 7 PHE HZ H 6.867 . . 57 7 7 PHE C C 174.461 . . 58 7 7 PHE CA C 58.422 . . 59 7 7 PHE CB C 42.067 . . 60 7 7 PHE CD1 C 132.587 . . 61 7 7 PHE CE1 C 130.676 . . 62 7 7 PHE CZ C 130.026 . . 63 7 7 PHE N N 127.723 . . 64 8 8 VAL H H 7.255 . . 65 8 8 VAL HA H 4.867 . . 66 8 8 VAL HB H 1.970 . . 67 8 8 VAL HG1 H 0.593 . . 68 8 8 VAL HG2 H 0.655 . . 69 8 8 VAL C C 175.511 . . 70 8 8 VAL CA C 62.310 . . 71 8 8 VAL CB C 34.160 . . 72 8 8 VAL CG1 C 21.384 . . 73 8 8 VAL CG2 C 22.800 . . 74 8 8 VAL N N 122.014 . . 75 9 9 GLY H H 9.405 . . 76 9 9 GLY HA2 H 4.384 . . 77 9 9 GLY HA3 H 3.580 . . 78 9 9 GLY C C 171.067 . . 79 9 9 GLY CA C 44.730 . . 80 9 9 GLY N N 117.003 . . 81 10 10 THR H H 7.467 . . 82 10 10 THR HA H 5.116 . . 83 10 10 THR HB H 3.695 . . 84 10 10 THR HG2 H 0.982 . . 85 10 10 THR C C 171.636 . . 86 10 10 THR CA C 59.660 . . 87 10 10 THR CB C 71.876 . . 88 10 10 THR CG2 C 19.051 . . 89 10 10 THR N N 117.936 . . 90 11 11 MET H H 11.078 . . 91 11 11 MET HA H 4.596 . . 92 11 11 MET HB2 H 1.450 . . 93 11 11 MET HB3 H 1.145 . . 94 11 11 MET HG2 H 1.836 . . 95 11 11 MET HG3 H 2.048 . . 96 11 11 MET HE H 2.320 . . 97 11 11 MET C C 177.484 . . 98 11 11 MET CA C 55.740 . . 99 11 11 MET CB C 32.470 . . 100 11 11 MET CG C 31.990 . . 101 11 11 MET CE C 21.340 . . 102 11 11 MET N N 130.850 . . 103 12 12 TYR H H 8.626 . . 104 12 12 TYR HA H 4.936 . . 105 12 12 TYR HB2 H 3.477 . . 106 12 12 TYR HB3 H 3.237 . . 107 12 12 TYR HD1 H 7.289 . . 108 12 12 TYR HE1 H 6.747 . . 109 12 12 TYR C C 176.883 . . 110 12 12 TYR CA C 56.400 . . 111 12 12 TYR CB C 38.390 . . 112 12 12 TYR CD1 C 133.780 . . 113 12 12 TYR CE1 C 118.069 . . 114 12 12 TYR N N 119.681 . . 115 13 13 GLY H H 8.392 . . 116 13 13 GLY HA2 H 3.613 . . 117 13 13 GLY HA3 H 4.489 . . 118 13 13 GLY C C 176.800 . . 119 13 13 GLY CA C 46.048 . . 120 13 13 GLY N N 110.685 . . 121 14 14 ASN H H 11.051 . . 122 14 14 ASN HA H 4.432 . . 123 14 14 ASN HB2 H 3.640 . . 124 14 14 ASN HB3 H 2.317 . . 125 14 14 ASN HD21 H 9.563 . . 126 14 14 ASN HD22 H 7.226 . . 127 14 14 ASN C C 178.769 . . 128 14 14 ASN CA C 58.504 . . 129 14 14 ASN CB C 38.367 . . 130 14 14 ASN N N 130.657 . . 131 14 14 ASN ND2 N 118.610 . . 132 15 15 SER H H 11.191 . . 133 15 15 SER HA H 3.833 . . 134 15 15 SER HB2 H 3.624 . . 135 15 15 SER HB3 H 3.507 . . 136 15 15 SER C C 175.973 . . 137 15 15 SER CA C 62.590 . . 138 15 15 SER CB C 63.883 . . 139 15 15 SER N N 119.853 . . 140 16 16 LEU H H 6.422 . . 141 16 16 LEU HA H 4.018 . . 142 16 16 LEU HB2 H 1.911 . . 143 16 16 LEU HB3 H 1.175 . . 144 16 16 LEU HG H 1.537 . . 145 16 16 LEU HD1 H 0.858 . . 146 16 16 LEU C C 176.898 . . 147 16 16 LEU CA C 57.352 . . 148 16 16 LEU CB C 41.722 . . 149 16 16 LEU CG C 26.938 . . 150 16 16 LEU CD1 C 23.150 . . 151 16 16 LEU N N 119.295 . . 152 17 17 LEU H H 7.549 . . 153 17 17 LEU HA H 4.232 . . 154 17 17 LEU HB2 H 2.091 . . 155 17 17 LEU HB3 H 1.788 . . 156 17 17 LEU HG H 1.685 . . 157 17 17 LEU HD1 H 1.007 . . 158 17 17 LEU HD2 H 0.953 . . 159 17 17 LEU C C 179.688 . . 160 17 17 LEU CA C 58.723 . . 161 17 17 LEU CB C 40.829 . . 162 17 17 LEU CG C 27.533 . . 163 17 17 LEU CD1 C 24.929 . . 164 17 17 LEU CD2 C 24.929 . . 165 17 17 LEU N N 122.509 . . 166 18 18 VAL H H 7.888 . . 167 18 18 VAL HA H 3.289 . . 168 18 18 VAL HB H 2.161 . . 169 18 18 VAL HG1 H 0.784 . . 170 18 18 VAL HG2 H 1.011 . . 171 18 18 VAL C C 178.607 . . 172 18 18 VAL CA C 67.060 . . 173 18 18 VAL CB C 31.220 . . 174 18 18 VAL CG1 C 21.146 . . 175 18 18 VAL CG2 C 23.134 . . 176 18 18 VAL N N 118.755 . . 177 19 19 ALA H H 8.225 . . 178 19 19 ALA HA H 3.788 . . 179 19 19 ALA HB H 1.420 . . 180 19 19 ALA C C 178.395 . . 181 19 19 ALA CA C 55.590 . . 182 19 19 ALA CB C 20.480 . . 183 19 19 ALA N N 123.221 . . 184 20 20 GLU H H 8.830 . . 185 20 20 GLU HA H 4.033 . . 186 20 20 GLU HB2 H 2.274 . . 187 20 20 GLU HB3 H 2.040 . . 188 20 20 GLU HG2 H 2.590 . . 189 20 20 GLU HG3 H 2.248 . . 190 20 20 GLU C C 181.070 . . 191 20 20 GLU CA C 59.740 . . 192 20 20 GLU CB C 29.030 . . 193 20 20 GLU CG C 36.240 . . 194 20 20 GLU N N 119.581 . . 195 21 21 GLU H H 8.590 . . 196 21 21 GLU HA H 4.032 . . 197 21 21 GLU HB2 H 2.802 . . 198 21 21 GLU HB3 H 2.032 . . 199 21 21 GLU HG2 H 2.412 . . 200 21 21 GLU HG3 H 2.248 . . 201 21 21 GLU C C 179.510 . . 202 21 21 GLU CA C 59.445 . . 203 21 21 GLU CB C 29.231 . . 204 21 21 GLU CG C 37.072 . . 205 21 21 GLU N N 122.380 . . 206 22 22 ALA H H 8.434 . . 207 22 22 ALA HA H 4.059 . . 208 22 22 ALA HB H 1.430 . . 209 22 22 ALA C C 178.942 . . 210 22 22 ALA CA C 54.750 . . 211 22 22 ALA CB C 18.000 . . 212 22 22 ALA N N 122.395 . . 213 23 23 GLU H H 8.543 . . 214 23 23 GLU HA H 3.426 . . 215 23 23 GLU HB2 H 2.379 . . 216 23 23 GLU HB3 H 1.807 . . 217 23 23 GLU HG2 H 2.103 . . 218 23 23 GLU HG3 H 2.019 . . 219 23 23 GLU C C 178.413 . . 220 23 23 GLU CA C 60.410 . . 221 23 23 GLU CB C 28.910 . . 222 23 23 GLU CG C 35.080 . . 223 23 23 GLU N N 120.013 . . 224 24 24 ALA H H 7.451 . . 225 24 24 ALA HA H 4.058 . . 226 24 24 ALA HB H 1.543 . . 227 24 24 ALA C C 181.090 . . 228 24 24 ALA CA C 55.550 . . 229 24 24 ALA CB C 18.070 . . 230 24 24 ALA N N 122.821 . . 231 25 25 ILE H H 7.683 . . 232 25 25 ILE HA H 3.684 . . 233 25 25 ILE HB H 1.799 . . 234 25 25 ILE HG12 H 1.769 . . 235 25 25 ILE HG13 H 1.073 . . 236 25 25 ILE HG2 H 0.840 . . 237 25 25 ILE HD1 H 0.881 . . 238 25 25 ILE C C 178.484 . . 239 25 25 ILE CA C 65.173 . . 240 25 25 ILE CB C 39.134 . . 241 25 25 ILE CG1 C 29.968 . . 242 25 25 ILE CG2 C 17.221 . . 243 25 25 ILE CD1 C 14.385 . . 244 25 25 ILE N N 121.721 . . 245 26 26 LEU H H 8.626 . . 246 26 26 LEU HA H 4.175 . . 247 26 26 LEU HB2 H 1.739 . . 248 26 26 LEU HB3 H 1.249 . . 249 26 26 LEU HG H 1.833 . . 250 26 26 LEU HD1 H 0.961 . . 251 26 26 LEU HD2 H 0.800 . . 252 26 26 LEU C C 179.957 . . 253 26 26 LEU CA C 58.030 . . 254 26 26 LEU CB C 41.210 . . 255 26 26 LEU CG C 27.120 . . 256 26 26 LEU CD1 C 22.370 . . 257 26 26 LEU CD2 C 25.600 . . 258 26 26 LEU N N 120.008 . . 259 27 27 THR H H 8.782 . . 260 27 27 THR HA H 4.545 . . 261 27 27 THR HB H 4.263 . . 262 27 27 THR HG2 H 1.348 . . 263 27 27 THR C C 179.074 . . 264 27 27 THR CA C 65.946 . . 265 27 27 THR CB C 68.620 . . 266 27 27 THR CG2 C 21.860 . . 267 27 27 THR N N 118.391 . . 268 28 28 ALA H H 7.787 . . 269 28 28 ALA HA H 4.212 . . 270 28 28 ALA HB H 1.570 . . 271 28 28 ALA C C 179.423 . . 272 28 28 ALA CA C 54.860 . . 273 28 28 ALA CB C 17.650 . . 274 28 28 ALA N N 126.965 . . 275 29 29 GLN H H 7.359 . . 276 29 29 GLN HA H 4.132 . . 277 29 29 GLN HB2 H 2.259 . . 278 29 29 GLN HB3 H 1.950 . . 279 29 29 GLN HG2 H 2.774 . . 280 29 29 GLN HG3 H 2.265 . . 281 29 29 GLN HE21 H 6.876 . . 282 29 29 GLN HE22 H 6.988 . . 283 29 29 GLN C C 176.526 . . 284 29 29 GLN CA C 56.660 . . 285 29 29 GLN CB C 29.336 . . 286 29 29 GLN CG C 33.923 . . 287 29 29 GLN N N 116.223 . . 288 29 29 GLN NE2 N 107.382 . . 289 30 30 GLY H H 7.900 . . 290 30 30 GLY HA2 H 4.146 . . 291 30 30 GLY HA3 H 3.624 . . 292 30 30 GLY C C 174.813 . . 293 30 30 GLY CA C 44.470 . . 294 30 30 GLY N N 106.607 . . 295 31 31 HIS H H 7.556 . . 296 31 31 HIS HA H 4.835 . . 297 31 31 HIS HB2 H 2.945 . . 298 31 31 HIS HB3 H 2.491 . . 299 31 31 HIS HD2 H 7.051 . . 300 31 31 HIS C C 174.690 . . 301 31 31 HIS CA C 55.940 . . 302 31 31 HIS CB C 32.220 . . 303 31 31 HIS CD2 C 118.834 . . 304 31 31 HIS N N 120.071 . . 305 32 32 LYS H H 8.670 . . 306 32 32 LYS HA H 4.729 . . 307 32 32 LYS HB2 H 1.953 . . 308 32 32 LYS HB3 H 1.821 . . 309 32 32 LYS HG2 H 1.484 . . 310 32 32 LYS HG3 H 1.449 . . 311 32 32 LYS HD2 H 1.695 . . 312 32 32 LYS HE2 H 2.982 . . 313 32 32 LYS C C 174.518 . . 314 32 32 LYS CA C 54.906 . . 315 32 32 LYS CB C 32.927 . . 316 32 32 LYS CG C 24.697 . . 317 32 32 LYS CD C 29.338 . . 318 32 32 LYS CE C 42.340 . . 319 32 32 LYS N N 122.416 . . 320 33 33 ALA H H 8.813 . . 321 33 33 ALA HA H 5.841 . . 322 33 33 ALA HB H 1.198 . . 323 33 33 ALA C C 175.582 . . 324 33 33 ALA CA C 50.024 . . 325 33 33 ALA CB C 22.439 . . 326 33 33 ALA N N 130.747 . . 327 34 34 THR H H 7.793 . . 328 34 34 THR HA H 4.360 . . 329 34 34 THR HB H 3.719 . . 330 34 34 THR HG2 H 0.556 . . 331 34 34 THR C C 171.283 . . 332 34 34 THR CA C 61.832 . . 333 34 34 THR CB C 71.968 . . 334 34 34 THR CG2 C 21.835 . . 335 34 34 THR N N 117.711 . . 336 35 35 VAL H H 8.468 . . 337 35 35 VAL HA H 4.159 . . 338 35 35 VAL HB H 1.797 . . 339 35 35 VAL HG1 H 0.606 . . 340 35 35 VAL HG2 H 0.698 . . 341 35 35 VAL C C 174.646 . . 342 35 35 VAL CA C 62.061 . . 343 35 35 VAL CB C 32.673 . . 344 35 35 VAL CG1 C 21.862 . . 345 35 35 VAL CG2 C 23.300 . . 346 35 35 VAL N N 127.185 . . 347 36 36 PHE H H 9.135 . . 348 36 36 PHE HA H 4.551 . . 349 36 36 PHE HB2 H 2.810 . . 350 36 36 PHE HB3 H 2.451 . . 351 36 36 PHE HD1 H 6.484 . . 352 36 36 PHE HE1 H 7.127 . . 353 36 36 PHE HZ H 7.595 . . 354 36 36 PHE C C 174.274 . . 355 36 36 PHE CA C 57.868 . . 356 36 36 PHE CB C 40.423 . . 357 36 36 PHE CD1 C 132.650 . . 358 36 36 PHE CE1 C 130.500 . . 359 36 36 PHE CZ C 130.500 . . 360 36 36 PHE N N 128.203 . . 361 37 37 GLU H H 8.397 . . 362 37 37 GLU HA H 4.450 . . 363 37 37 GLU HB2 H 1.981 . . 364 37 37 GLU HB3 H 1.851 . . 365 37 37 GLU HG2 H 2.132 . . 366 37 37 GLU HG3 H 2.070 . . 367 37 37 GLU C C 176.015 . . 368 37 37 GLU CA C 55.617 . . 369 37 37 GLU CB C 31.744 . . 370 37 37 GLU CG C 37.330 . . 371 37 37 GLU N N 124.111 . . 372 38 38 ASP H H 9.757 . . 373 38 38 ASP HA H 4.897 . . 374 38 38 ASP HB2 H 2.797 . . 375 38 38 ASP HB3 H 2.723 . . 376 38 38 ASP C C 174.013 . . 377 38 38 ASP CA C 54.494 . . 378 38 38 ASP CB C 40.735 . . 379 38 38 ASP N N 121.124 . . 380 39 39 PRO HA H 4.646 . . 381 39 39 PRO HB2 H 2.589 . . 382 39 39 PRO HB3 H 2.263 . . 383 39 39 PRO HG2 H 2.446 . . 384 39 39 PRO HG3 H 2.154 . . 385 39 39 PRO HD2 H 4.084 . . 386 39 39 PRO HD3 H 3.884 . . 387 39 39 PRO C C 176.323 . . 388 39 39 PRO CA C 63.233 . . 389 39 39 PRO CB C 34.473 . . 390 39 39 PRO CG C 28.822 . . 391 39 39 PRO CD C 50.557 . . 392 40 40 GLU H H 9.182 . . 393 40 40 GLU HA H 4.719 . . 394 40 40 GLU HB2 H 2.293 . . 395 40 40 GLU HB3 H 1.915 . . 396 40 40 GLU HG2 H 2.422 . . 397 40 40 GLU HG3 H 2.337 . . 398 40 40 GLU C C 177.896 . . 399 40 40 GLU CA C 53.830 . . 400 40 40 GLU CB C 33.505 . . 401 40 40 GLU CG C 36.556 . . 402 40 40 GLU N N 119.725 . . 403 41 41 LEU H H 9.202 . . 404 41 41 LEU HA H 3.899 . . 405 41 41 LEU HB2 H 1.902 . . 406 41 41 LEU HB3 H 1.346 . . 407 41 41 LEU HG H 0.740 . . 408 41 41 LEU HD1 H 0.570 . . 409 41 41 LEU C C 178.785 . . 410 41 41 LEU CA C 58.544 . . 411 41 41 LEU CB C 41.674 . . 412 41 41 LEU CG C 25.823 . . 413 41 41 LEU CD1 C 23.408 . . 414 41 41 LEU N N 124.500 . . 415 42 42 SER H H 8.412 . . 416 42 42 SER HA H 4.013 . . 417 42 42 SER HB2 H 3.910 . . 418 42 42 SER C C 176.393 . . 419 42 42 SER CA C 61.564 . . 420 42 42 SER CB C 60.532 . . 421 42 42 SER N N 111.207 . . 422 43 43 ASP H H 7.697 . . 423 43 43 ASP HA H 4.460 . . 424 43 43 ASP HB2 H 2.935 . . 425 43 43 ASP HB3 H 1.948 . . 426 43 43 ASP C C 176.219 . . 427 43 43 ASP CA C 56.920 . . 428 43 43 ASP CB C 42.830 . . 429 43 43 ASP N N 120.569 . . 430 44 44 TRP H H 7.441 . . 431 44 44 TRP HA H 4.215 . . 432 44 44 TRP HB2 H 3.379 . . 433 44 44 TRP HB3 H 2.713 . . 434 44 44 TRP HD1 H 6.415 . . 435 44 44 TRP HE1 H 10.817 . . 436 44 44 TRP HZ2 H 7.062 . . 437 44 44 TRP HZ3 H 6.075 . . 438 44 44 TRP HH2 H 6.658 . . 439 44 44 TRP C C 177.212 . . 440 44 44 TRP CA C 59.458 . . 441 44 44 TRP CB C 30.394 . . 442 44 44 TRP CD1 C 126.275 . . 443 44 44 TRP CZ2 C 113.380 . . 444 44 44 TRP CZ3 C 120.880 . . 445 44 44 TRP CH2 C 123.460 . . 446 44 44 TRP N N 119.197 . . 447 44 44 TRP NE1 N 130.106 . . 448 45 45 LEU H H 7.590 . . 449 45 45 LEU HA H 4.175 . . 450 45 45 LEU HB2 H 1.547 . . 451 45 45 LEU HB3 H 1.960 . . 452 45 45 LEU HG H 0.949 . . 453 45 45 LEU HD1 H 0.922 . . 454 45 45 LEU C C 176.359 . . 455 45 45 LEU CA C 59.501 . . 456 45 45 LEU CB C 39.363 . . 457 45 45 LEU CG C 25.200 . . 458 45 45 LEU CD1 C 22.962 . . 459 45 45 LEU N N 115.001 . . 460 46 46 PRO HA H 4.373 . . 461 46 46 PRO HB2 H 2.224 . . 462 46 46 PRO HB3 H 1.188 . . 463 46 46 PRO HG2 H 1.827 . . 464 46 46 PRO HG3 H 2.160 . . 465 46 46 PRO HD2 H 3.740 . . 466 46 46 PRO HD3 H 3.456 . . 467 46 46 PRO C C 176.821 . . 468 46 46 PRO CA C 65.173 . . 469 46 46 PRO CB C 31.628 . . 470 46 46 PRO CG C 28.012 . . 471 46 46 PRO CD C 51.731 . . 472 47 47 TYR H H 8.276 . . 473 47 47 TYR HA H 4.147 . . 474 47 47 TYR HB2 H 3.172 . . 475 47 47 TYR HB3 H 2.288 . . 476 47 47 TYR HD2 H 7.345 . . 477 47 47 TYR HE2 H 6.948 . . 478 47 47 TYR C C 175.807 . . 479 47 47 TYR CA C 59.193 . . 480 47 47 TYR CB C 38.091 . . 481 47 47 TYR CD2 C 133.542 . . 482 47 47 TYR CE2 C 118.549 . . 483 47 47 TYR N N 114.318 . . 484 48 48 GLN H H 7.313 . . 485 48 48 GLN HA H 3.875 . . 486 48 48 GLN HB2 H 2.210 . . 487 48 48 GLN HB3 H 2.083 . . 488 48 48 GLN HG2 H 2.631 . . 489 48 48 GLN HG3 H 2.578 . . 490 48 48 GLN HE21 H 7.502 . . 491 48 48 GLN HE22 H 7.148 . . 492 48 48 GLN C C 174.396 . . 493 48 48 GLN CA C 60.000 . . 494 48 48 GLN CB C 30.961 . . 495 48 48 GLN CG C 35.571 . . 496 48 48 GLN N N 117.482 . . 497 48 48 GLN NE2 N 111.869 . . 498 49 49 ASP H H 7.859 . . 499 49 49 ASP HA H 4.703 . . 500 49 49 ASP HB2 H 2.760 . . 501 49 49 ASP HB3 H 2.523 . . 502 49 49 ASP C C 176.365 . . 503 49 49 ASP CA C 51.804 . . 504 49 49 ASP CB C 40.204 . . 505 49 49 ASP N N 115.298 . . 506 50 50 LYS H H 7.870 . . 507 50 50 LYS HA H 4.593 . . 508 50 50 LYS HB2 H 2.755 . . 509 50 50 LYS HB3 H 1.808 . . 510 50 50 LYS HG2 H 1.553 . . 511 50 50 LYS HG3 H 1.397 . . 512 50 50 LYS HD2 H 1.452 . . 513 50 50 LYS HD3 H 1.765 . . 514 50 50 LYS HE2 H 2.960 . . 515 50 50 LYS C C 173.073 . . 516 50 50 LYS CA C 54.603 . . 517 50 50 LYS CB C 33.504 . . 518 50 50 LYS CG C 25.374 . . 519 50 50 LYS CD C 29.860 . . 520 50 50 LYS CE C 42.669 . . 521 50 50 LYS N N 124.506 . . 522 51 51 TYR H H 7.772 . . 523 51 51 TYR HA H 6.079 . . 524 51 51 TYR HB2 H 3.160 . . 525 51 51 TYR HB3 H 2.621 . . 526 51 51 TYR HD2 H 6.957 . . 527 51 51 TYR HE2 H 6.664 . . 528 51 51 TYR C C 175.893 . . 529 51 51 TYR CA C 56.407 . . 530 51 51 TYR CB C 42.658 . . 531 51 51 TYR CD2 C 133.959 . . 532 51 51 TYR CE2 C 118.304 . . 533 51 51 TYR N N 119.088 . . 534 52 52 VAL H H 8.636 . . 535 52 52 VAL HA H 5.485 . . 536 52 52 VAL HB H 1.876 . . 537 52 52 VAL HG1 H 0.650 . . 538 52 52 VAL HG2 H 0.304 . . 539 52 52 VAL C C 173.932 . . 540 52 52 VAL CA C 58.843 . . 541 52 52 VAL CB C 36.318 . . 542 52 52 VAL CG1 C 20.187 . . 543 52 52 VAL CG2 C 22.460 . . 544 52 52 VAL N N 112.744 . . 545 53 53 LEU H H 9.163 . . 546 53 53 LEU HA H 4.902 . . 547 53 53 LEU HB2 H 1.560 . . 548 53 53 LEU HB3 H 1.040 . . 549 53 53 LEU HG H 0.981 . . 550 53 53 LEU HD1 H 0.377 . . 551 53 53 LEU HD2 H 0.053 . . 552 53 53 LEU C C 175.011 . . 553 53 53 LEU CA C 52.768 . . 554 53 53 LEU CB C 45.254 . . 555 53 53 LEU CG C 27.017 . . 556 53 53 LEU CD1 C 24.439 . . 557 53 53 LEU CD2 C 21.603 . . 558 53 53 LEU N N 124.951 . . 559 54 54 VAL H H 8.635 . . 560 54 54 VAL HA H 4.427 . . 561 54 54 VAL HB H 1.862 . . 562 54 54 VAL HG1 H 0.038 . . 563 54 54 VAL HG2 H 0.715 . . 564 54 54 VAL C C 173.920 . . 565 54 54 VAL CA C 62.000 . . 566 54 54 VAL CB C 32.659 . . 567 54 54 VAL CG1 C 19.516 . . 568 54 54 VAL CG2 C 20.806 . . 569 54 54 VAL N N 128.590 . . 570 55 55 VAL H H 8.592 . . 571 55 55 VAL HA H 5.130 . . 572 55 55 VAL HB H 1.896 . . 573 55 55 VAL HG1 H 0.561 . . 574 55 55 VAL HG2 H 0.815 . . 575 55 55 VAL C C 174.780 . . 576 55 55 VAL CA C 59.759 . . 577 55 55 VAL CB C 32.870 . . 578 55 55 VAL CG1 C 20.426 . . 579 55 55 VAL CG2 C 22.119 . . 580 55 55 VAL N N 128.366 . . 581 56 56 THR H H 8.400 . . 582 56 56 THR HA H 6.170 . . 583 56 56 THR HB H 3.569 . . 584 56 56 THR HG2 H 0.820 . . 585 56 56 THR C C 172.940 . . 586 56 56 THR CA C 58.470 . . 587 56 56 THR CB C 70.116 . . 588 56 56 THR CG2 C 19.025 . . 589 56 56 THR N N 117.480 . . 590 57 57 SER H H 8.061 . . 591 57 57 SER HA H 5.474 . . 592 57 57 SER HB2 H 4.245 . . 593 57 57 SER HB3 H 3.998 . . 594 57 57 SER C C 173.902 . . 595 57 57 SER CA C 56.692 . . 596 57 57 SER CB C 64.142 . . 597 57 57 SER N N 127.922 . . 598 58 58 THR H H 6.312 . . 599 58 58 THR HA H 4.441 . . 600 58 58 THR HB H 3.381 . . 601 58 58 THR HG2 H 1.296 . . 602 58 58 THR C C 172.910 . . 603 58 58 THR CA C 62.079 . . 604 58 58 THR CB C 72.387 . . 605 58 58 THR CG2 C 22.246 . . 606 58 58 THR N N 108.858 . . 607 59 59 THR H H 8.799 . . 608 59 59 THR HA H 3.349 . . 609 59 59 THR HB H 3.525 . . 610 59 59 THR HG2 H 0.738 . . 611 59 59 THR C C 172.660 . . 612 59 59 THR CA C 58.528 . . 613 59 59 THR CB C 69.981 . . 614 59 59 THR CG2 C 19.798 . . 615 59 59 THR N N 122.985 . . 616 60 60 GLY H H 8.141 . . 617 60 60 GLY HA2 H 4.408 . . 618 60 60 GLY HA3 H 4.056 . . 619 60 60 GLY C C 175.153 . . 620 60 60 GLY CA C 47.536 . . 621 60 60 GLY N N 107.060 . . 622 61 61 GLN H H 8.979 . . 623 61 61 GLN HA H 4.443 . . 624 61 61 GLN HB2 H 2.350 . . 625 61 61 GLN HB3 H 2.217 . . 626 61 61 GLN HG2 H 2.438 . . 627 61 61 GLN HG3 H 2.463 . . 628 61 61 GLN C C 175.766 . . 629 61 61 GLN CA C 55.634 . . 630 61 61 GLN CB C 27.455 . . 631 61 61 GLN CG C 34.460 . . 632 61 61 GLN N N 121.782 . . 633 62 62 GLY H H 8.212 . . 634 62 62 GLY HA2 H 4.224 . . 635 62 62 GLY HA3 H 3.546 . . 636 62 62 GLY C C 173.048 . . 637 62 62 GLY CA C 46.231 . . 638 62 62 GLY N N 107.952 . . 639 63 63 ASP H H 7.507 . . 640 63 63 ASP HA H 4.626 . . 641 63 63 ASP HB2 H 2.662 . . 642 63 63 ASP HB3 H 2.320 . . 643 63 63 ASP C C 175.914 . . 644 63 63 ASP CA C 53.562 . . 645 63 63 ASP CB C 43.298 . . 646 63 63 ASP N N 120.902 . . 647 64 64 LEU H H 8.228 . . 648 64 64 LEU HA H 4.270 . . 649 64 64 LEU HB2 H 1.282 . . 650 64 64 LEU HB3 H 1.039 . . 651 64 64 LEU HG H 1.272 . . 652 64 64 LEU HD1 H 0.045 . . 653 64 64 LEU HD2 H 0.841 . . 654 64 64 LEU C C 173.858 . . 655 64 64 LEU CA C 52.798 . . 656 64 64 LEU CB C 42.116 . . 657 64 64 LEU CG C 27.533 . . 658 64 64 LEU CD1 C 25.728 . . 659 64 64 LEU CD2 C 24.960 . . 660 64 64 LEU N N 120.919 . . 661 65 65 PRO HA H 4.101 . . 662 65 65 PRO HB2 H 1.705 . . 663 65 65 PRO HB3 H 1.512 . . 664 65 65 PRO HG2 H 1.560 . . 665 65 65 PRO HG3 H 1.430 . . 666 65 65 PRO HD2 H 3.231 . . 667 65 65 PRO HD3 H 3.681 . . 668 65 65 PRO C C 176.766 . . 669 65 65 PRO CA C 62.595 . . 670 65 65 PRO CB C 32.509 . . 671 65 65 PRO CG C 28.178 . . 672 65 65 PRO CD C 50.456 . . 673 66 66 ASP H H 8.259 . . 674 66 66 ASP HA H 4.163 . . 675 66 66 ASP HB2 H 2.633 . . 676 66 66 ASP HB3 H 2.582 . . 677 66 66 ASP C C 178.411 . . 678 66 66 ASP CA C 57.800 . . 679 66 66 ASP CB C 40.476 . . 680 66 66 ASP N N 122.708 . . 681 67 67 SER H H 8.516 . . 682 67 67 SER HA H 4.295 . . 683 67 67 SER HB2 H 4.567 . . 684 67 67 SER HB3 H 4.192 . . 685 67 67 SER C C 175.629 . . 686 67 67 SER CA C 60.793 . . 687 67 67 SER CB C 64.140 . . 688 67 67 SER N N 112.123 . . 689 68 68 ILE H H 7.964 . . 690 68 68 ILE HA H 5.116 . . 691 68 68 ILE HB H 1.680 . . 692 68 68 ILE HG12 H 2.014 . . 693 68 68 ILE HG13 H 1.756 . . 694 68 68 ILE HG2 H 1.155 . . 695 68 68 ILE HD1 H 0.597 . . 696 68 68 ILE C C 174.838 . . 697 68 68 ILE CA C 60.748 . . 698 68 68 ILE CB C 43.018 . . 699 68 68 ILE CG1 C 33.589 . . 700 68 68 ILE CG2 C 16.346 . . 701 68 68 ILE CD1 C 13.869 . . 702 68 68 ILE N N 121.520 . . 703 69 69 VAL H H 7.385 . . 704 69 69 VAL HA H 3.690 . . 705 69 69 VAL HB H 2.247 . . 706 69 69 VAL HG1 H 0.939 . . 707 69 69 VAL HG2 H 0.945 . . 708 69 69 VAL C C 174.622 . . 709 69 69 VAL CA C 68.856 . . 710 69 69 VAL CB C 29.982 . . 711 69 69 VAL CG1 C 21.424 . . 712 69 69 VAL CG2 C 24.992 . . 713 69 69 VAL N N 126.643 . . 714 70 70 PRO HA H 4.278 . . 715 70 70 PRO HB2 H 2.349 . . 716 70 70 PRO HB3 H 1.963 . . 717 70 70 PRO HG2 H 2.226 . . 718 70 70 PRO HG3 H 1.908 . . 719 70 70 PRO HD2 H 3.880 . . 720 70 70 PRO HD3 H 3.650 . . 721 70 70 PRO C C 180.963 . . 722 70 70 PRO CA C 66.590 . . 723 70 70 PRO CB C 30.902 . . 724 70 70 PRO CG C 28.785 . . 725 70 70 PRO CD C 50.000 . . 726 71 71 LEU H H 7.927 . . 727 71 71 LEU HA H 3.817 . . 728 71 71 LEU HB2 H 2.036 . . 729 71 71 LEU HB3 H 1.321 . . 730 71 71 LEU HG H 1.110 . . 731 71 71 LEU HD1 H 0.470 . . 732 71 71 LEU HD2 H 0.890 . . 733 71 71 LEU C C 176.465 . . 734 71 71 LEU CA C 158.320 . . 735 71 71 LEU CB C 41.354 . . 736 71 71 LEU CG C 27.000 . . 737 71 71 LEU CD1 C 22.309 . . 738 71 71 LEU CD2 C 25.637 . . 739 71 71 LEU N N 119.953 . . 740 72 72 PHE H H 7.990 . . 741 72 72 PHE HA H 3.179 . . 742 72 72 PHE HB2 H 3.008 . . 743 72 72 PHE HB3 H 2.589 . . 744 72 72 PHE HD2 H 6.101 . . 745 72 72 PHE HE2 H 7.013 . . 746 72 72 PHE C C 176.121 . . 747 72 72 PHE CA C 62.036 . . 748 72 72 PHE CB C 39.907 . . 749 72 72 PHE CD2 C 131.669 . . 750 72 72 PHE CE2 C 131.198 . . 751 72 72 PHE N N 120.155 . . 752 73 73 GLN H H 9.016 . . 753 73 73 GLN HA H 3.539 . . 754 73 73 GLN HB2 H 2.058 . . 755 73 73 GLN HB3 H 1.981 . . 756 73 73 GLN HG2 H 2.530 . . 757 73 73 GLN HG3 H 2.352 . . 758 73 73 GLN HE21 H 7.682 . . 759 73 73 GLN HE22 H 6.765 . . 760 73 73 GLN C C 177.978 . . 761 73 73 GLN CA C 58.269 . . 762 73 73 GLN CB C 28.275 . . 763 73 73 GLN CG C 33.966 . . 764 73 73 GLN N N 116.352 . . 765 73 73 GLN NE2 N 113.509 . . 766 74 74 GLY H H 8.024 . . 767 74 74 GLY HA2 H 3.910 . . 768 74 74 GLY HA3 H 3.472 . . 769 74 74 GLY C C 175.863 . . 770 74 74 GLY CA C 47.371 . . 771 74 74 GLY N N 107.774 . . 772 75 75 ILE H H 8.212 . . 773 75 75 ILE HA H 3.050 . . 774 75 75 ILE HB H 1.123 . . 775 75 75 ILE HG12 H 0.962 . . 776 75 75 ILE HG13 H -0.548 . . 777 75 75 ILE HG2 H 0.253 . . 778 75 75 ILE HD1 H -0.788 . . 779 75 75 ILE C C 178.632 . . 780 75 75 ILE CA C 65.480 . . 781 75 75 ILE CB C 38.040 . . 782 75 75 ILE CG1 C 28.089 . . 783 75 75 ILE CG2 C 17.478 . . 784 75 75 ILE CD1 C 13.096 . . 785 75 75 ILE N N 124.254 . . 786 76 76 LYS H H 7.612 . . 787 76 76 LYS HA H 3.304 . . 788 76 76 LYS HB2 H 1.552 . . 789 76 76 LYS HB3 H 1.118 . . 790 76 76 LYS HG2 H 1.160 . . 791 76 76 LYS HG3 H 1.059 . . 792 76 76 LYS HD2 H 1.405 . . 793 76 76 LYS HD3 H 1.374 . . 794 76 76 LYS HE2 H 2.869 . . 795 76 76 LYS HE3 H 2.800 . . 796 76 76 LYS C C 177.897 . . 797 76 76 LYS CA C 59.880 . . 798 76 76 LYS CB C 32.340 . . 799 76 76 LYS CG C 24.224 . . 800 76 76 LYS CD C 29.497 . . 801 76 76 LYS CE C 41.782 . . 802 76 76 LYS N N 119.953 . . 803 77 77 ASP H H 8.484 . . 804 77 77 ASP HA H 4.485 . . 805 77 77 ASP HB2 H 2.667 . . 806 77 77 ASP HB3 H 2.547 . . 807 77 77 ASP C C 178.849 . . 808 77 77 ASP CA C 56.370 . . 809 77 77 ASP CB C 41.310 . . 810 77 77 ASP N N 115.846 . . 811 78 78 SER H H 8.277 . . 812 78 78 SER HA H 4.743 . . 813 78 78 SER HB2 H 3.914 . . 814 78 78 SER HB3 H 3.821 . . 815 78 78 SER C C 174.649 . . 816 78 78 SER CA C 64.730 . . 817 78 78 SER CB C 60.090 . . 818 78 78 SER N N 113.177 . . 819 79 79 LEU H H 7.010 . . 820 79 79 LEU HA H 4.834 . . 821 79 79 LEU HB2 H 2.203 . . 822 79 79 LEU HB3 H 1.384 . . 823 79 79 LEU HG H 1.484 . . 824 79 79 LEU HD1 H 0.832 . . 825 79 79 LEU HD2 H 0.768 . . 826 79 79 LEU C C 176.270 . . 827 79 79 LEU CA C 54.140 . . 828 79 79 LEU CB C 39.170 . . 829 79 79 LEU CG C 26.760 . . 830 79 79 LEU CD1 C 22.210 . . 831 79 79 LEU CD2 C 26.502 . . 832 79 79 LEU N N 121.498 . . 833 80 80 GLY H H 7.500 . . 834 80 80 GLY HA2 H 4.519 . . 835 80 80 GLY HA3 H 3.440 . . 836 80 80 GLY C C 173.710 . . 837 80 80 GLY CA C 46.360 . . 838 80 80 GLY N N 109.713 . . 839 81 81 PHE H H 8.005 . . 840 81 81 PHE HA H 5.052 . . 841 81 81 PHE HB2 H 2.954 . . 842 81 81 PHE HD1 H 7.290 . . 843 81 81 PHE HE1 H 7.415 . . 844 81 81 PHE C C 174.406 . . 845 81 81 PHE CA C 57.290 . . 846 81 81 PHE CB C 40.680 . . 847 81 81 PHE CD1 C 131.690 . . 848 81 81 PHE CE1 C 131.690 . . 849 81 81 PHE N N 122.163 . . 850 82 82 GLN H H 9.563 . . 851 82 82 GLN HA H 4.886 . . 852 82 82 GLN HB2 H 2.437 . . 853 82 82 GLN HB3 H 1.789 . . 854 82 82 GLN HG2 H 2.368 . . 855 82 82 GLN HG3 H 2.233 . . 856 82 82 GLN C C 172.761 . . 857 82 82 GLN CA C 54.270 . . 858 82 82 GLN CB C 32.570 . . 859 82 82 GLN CG C 35.267 . . 860 82 82 GLN N N 126.999 . . 861 83 83 PRO HA H 4.374 . . 862 83 83 PRO HB2 H 1.784 . . 863 83 83 PRO HB3 H 1.638 . . 864 83 83 PRO HG2 H 1.500 . . 865 83 83 PRO HD2 H 1.600 . . 866 83 83 PRO HD3 H 3.049 . . 867 83 83 PRO C C 178.201 . . 868 83 83 PRO CA C 63.796 . . 869 83 83 PRO CB C 31.883 . . 870 83 83 PRO CG C 26.860 . . 871 83 83 PRO CD C 49.000 . . 872 84 84 ASN H H 8.535 . . 873 84 84 ASN HA H 4.782 . . 874 84 84 ASN HB2 H 3.008 . . 875 84 84 ASN HB3 H 2.717 . . 876 84 84 ASN HD21 H 6.931 . . 877 84 84 ASN HD22 H 7.626 . . 878 84 84 ASN C C 173.437 . . 879 84 84 ASN CA C 52.580 . . 880 84 84 ASN CB C 39.390 . . 881 84 84 ASN N N 117.556 . . 882 84 84 ASN ND2 N 114.760 . . 883 85 85 LEU H H 7.241 . . 884 85 85 LEU HA H 4.041 . . 885 85 85 LEU HB2 H 2.042 . . 886 85 85 LEU HB3 H 1.646 . . 887 85 85 LEU HG H 1.300 . . 888 85 85 LEU HD1 H 0.777 . . 889 85 85 LEU HD2 H 0.932 . . 890 85 85 LEU C C 175.826 . . 891 85 85 LEU CA C 55.888 . . 892 85 85 LEU CB C 42.451 . . 893 85 85 LEU CG C 27.533 . . 894 85 85 LEU CD1 C 24.365 . . 895 85 85 LEU CD2 C 27.000 . . 896 85 85 LEU N N 125.064 . . 897 86 86 ARG H H 7.694 . . 898 86 86 ARG HA H 5.776 . . 899 86 86 ARG HB2 H 1.561 . . 900 86 86 ARG HB3 H 1.328 . . 901 86 86 ARG HG2 H 1.621 . . 902 86 86 ARG HG3 H 1.403 . . 903 86 86 ARG HD2 H 2.940 . . 904 86 86 ARG HE H 6.706 . . 905 86 86 ARG C C 175.521 . . 906 86 86 ARG CA C 54.547 . . 907 86 86 ARG CB C 32.947 . . 908 86 86 ARG CG C 28.099 . . 909 86 86 ARG CD C 42.095 . . 910 86 86 ARG N N 129.319 . . 911 86 86 ARG NE N 113.850 . . 912 87 87 TYR H H 8.870 . . 913 87 87 TYR HA H 6.749 . . 914 87 87 TYR HB2 H 2.580 . . 915 87 87 TYR HB3 H 3.017 . . 916 87 87 TYR HD1 H 6.704 . . 917 87 87 TYR HE1 H 6.750 . . 918 87 87 TYR C C 172.904 . . 919 87 87 TYR CA C 55.258 . . 920 87 87 TYR CB C 44.978 . . 921 87 87 TYR CD1 C 133.308 . . 922 87 87 TYR CE1 C 115.256 . . 923 87 87 TYR N N 118.245 . . 924 88 88 GLY H H 8.960 . . 925 88 88 GLY HA2 H 5.085 . . 926 88 88 GLY HA3 H 3.513 . . 927 88 88 GLY C C 172.706 . . 928 88 88 GLY CA C 43.718 . . 929 88 88 GLY N N 108.645 . . 930 89 89 VAL H H 7.542 . . 931 89 89 VAL HA H 5.062 . . 932 89 89 VAL HB H 1.816 . . 933 89 89 VAL HG1 H 1.118 . . 934 89 89 VAL HG2 H 0.784 . . 935 89 89 VAL C C 173.120 . . 936 89 89 VAL CA C 60.900 . . 937 89 89 VAL CB C 36.482 . . 938 89 89 VAL CG1 C 21.546 . . 939 89 89 VAL CG2 C 20.762 . . 940 89 89 VAL N N 118.644 . . 941 90 90 ILE H H 8.791 . . 942 90 90 ILE HA H 3.872 . . 943 90 90 ILE HB H 1.347 . . 944 90 90 ILE HG12 H 0.745 . . 945 90 90 ILE HG13 H -0.426 . . 946 90 90 ILE HG2 H 0.448 . . 947 90 90 ILE HD1 H 0.443 . . 948 90 90 ILE C C 172.415 . . 949 90 90 ILE CA C 60.913 . . 950 90 90 ILE CB C 39.908 . . 951 90 90 ILE CG1 C 25.766 . . 952 90 90 ILE CG2 C 17.640 . . 953 90 90 ILE CD1 C 13.869 . . 954 90 90 ILE N N 125.753 . . 955 91 91 ALA H H 9.323 . . 956 91 91 ALA HA H 5.085 . . 957 91 91 ALA HB H 1.248 . . 958 91 91 ALA C C 174.101 . . 959 91 91 ALA CA C 48.820 . . 960 91 91 ALA CB C 22.050 . . 961 91 91 ALA N N 130.575 . . 962 92 92 LEU H H 8.038 . . 963 92 92 LEU HA H 4.746 . . 964 92 92 LEU HB2 H 2.063 . . 965 92 92 LEU HB3 H 1.084 . . 966 92 92 LEU HG H 1.702 . . 967 92 92 LEU HD1 H 0.871 . . 968 92 92 LEU HD2 H 0.745 . . 969 92 92 LEU C C 178.320 . . 970 92 92 LEU CA C 56.910 . . 971 92 92 LEU CB C 43.450 . . 972 92 92 LEU CG C 32.860 . . 973 92 92 LEU CD1 C 26.502 . . 974 92 92 LEU CD2 C 24.778 . . 975 92 92 LEU N N 125.621 . . 976 93 93 GLY H H 8.693 . . 977 93 93 GLY HA2 H 5.266 . . 978 93 93 GLY HA3 H 4.412 . . 979 93 93 GLY C C 174.247 . . 980 93 93 GLY CA C 46.810 . . 981 93 93 GLY N N 112.841 . . 982 94 94 ASP H H 9.239 . . 983 94 94 ASP HA H 5.598 . . 984 94 94 ASP HB2 H 3.252 . . 985 94 94 ASP HB3 H 3.199 . . 986 94 94 ASP C C 176.405 . . 987 94 94 ASP CA C 54.740 . . 988 94 94 ASP CB C 43.760 . . 989 94 94 ASP N N 123.084 . . 990 95 95 SER H H 9.350 . . 991 95 95 SER HA H 3.913 . . 992 95 95 SER HB2 H 3.713 . . 993 95 95 SER HB3 H 2.686 . . 994 95 95 SER C C 175.379 . . 995 95 95 SER CA C 60.450 . . 996 95 95 SER CB C 61.450 . . 997 95 95 SER N N 126.113 . . 998 96 96 SER H H 9.232 . . 999 96 96 SER HA H 4.095 . . 1000 96 96 SER HB2 H 3.504 . . 1001 96 96 SER HB3 H 3.299 . . 1002 96 96 SER C C 174.154 . . 1003 96 96 SER CA C 60.532 . . 1004 96 96 SER CB C 62.714 . . 1005 96 96 SER N N 120.350 . . 1006 97 97 TYR H H 7.867 . . 1007 97 97 TYR HA H 4.317 . . 1008 97 97 TYR HB2 H 2.958 . . 1009 97 97 TYR HB3 H 2.632 . . 1010 97 97 TYR HD2 H 6.973 . . 1011 97 97 TYR HE2 H 6.048 . . 1012 97 97 TYR C C 175.741 . . 1013 97 97 TYR CA C 57.308 . . 1014 97 97 TYR CB C 38.578 . . 1015 97 97 TYR CD2 C 133.510 . . 1016 97 97 TYR CE2 C 116.194 . . 1017 97 97 TYR N N 121.261 . . 1018 98 98 VAL H H 8.287 . . 1019 98 98 VAL HA H 3.880 . . 1020 98 98 VAL HB H 2.057 . . 1021 98 98 VAL HG1 H 1.055 . . 1022 98 98 VAL HG2 H 0.982 . . 1023 98 98 VAL C C 177.551 . . 1024 98 98 VAL CA C 65.000 . . 1025 98 98 VAL CB C 31.975 . . 1026 98 98 VAL CG1 C 21.510 . . 1027 98 98 VAL CG2 C 20.929 . . 1028 98 98 VAL N N 119.295 . . 1029 99 99 ASN H H 8.312 . . 1030 99 99 ASN HA H 5.057 . . 1031 99 99 ASN HB2 H 3.023 . . 1032 99 99 ASN HB3 H 2.631 . . 1033 99 99 ASN HD22 H 7.117 . . 1034 99 99 ASN C C 177.463 . . 1035 99 99 ASN CA C 52.526 . . 1036 99 99 ASN CB C 37.406 . . 1037 99 99 ASN N N 118.985 . . 1038 99 99 ASN ND2 N 115.042 . . 1039 100 100 PHE H H 8.144 . . 1040 100 100 PHE HA H 5.103 . . 1041 100 100 PHE HB2 H 3.388 . . 1042 100 100 PHE HB3 H 2.978 . . 1043 100 100 PHE HD2 H 7.236 . . 1044 100 100 PHE HE2 H 7.288 . . 1045 100 100 PHE HZ H 7.075 . . 1046 100 100 PHE C C 175.806 . . 1047 100 100 PHE CA C 57.180 . . 1048 100 100 PHE CB C 39.179 . . 1049 100 100 PHE CD2 C 131.790 . . 1050 100 100 PHE CE2 C 131.665 . . 1051 100 100 PHE CZ C 130.260 . . 1052 100 100 PHE N N 127.036 . . 1053 101 101 CYS H H 9.459 . . 1054 101 101 CYS HA H 3.505 . . 1055 101 101 CYS HB2 H 2.634 . . 1056 101 101 CYS HB3 H 2.063 . . 1057 101 101 CYS C C 175.061 . . 1058 101 101 CYS CA C 63.460 . . 1059 101 101 CYS CB C 25.123 . . 1060 101 101 CYS N N 120.536 . . 1061 102 102 ASN H H 7.188 . . 1062 102 102 ASN HA H 4.222 . . 1063 102 102 ASN HB2 H 2.831 . . 1064 102 102 ASN HB3 H 2.471 . . 1065 102 102 ASN HD21 H 7.093 . . 1066 102 102 ASN HD22 H 8.116 . . 1067 102 102 ASN C C 177.024 . . 1068 102 102 ASN CA C 56.919 . . 1069 102 102 ASN CB C 39.207 . . 1070 102 102 ASN N N 115.763 . . 1071 102 102 ASN ND2 N 115.692 . . 1072 103 103 GLY H H 9.310 . . 1073 103 103 GLY HA2 H 3.558 . . 1074 103 103 GLY HA3 H 3.448 . . 1075 103 103 GLY C C 174.936 . . 1076 103 103 GLY CA C 46.868 . . 1077 103 103 GLY N N 109.259 . . 1078 104 104 GLY H H 6.864 . . 1079 104 104 GLY HA2 H 3.482 . . 1080 104 104 GLY HA3 H 3.398 . . 1081 104 104 GLY C C 174.918 . . 1082 104 104 GLY CA C 47.125 . . 1083 104 104 GLY N N 107.133 . . 1084 105 105 LYS H H 7.785 . . 1085 105 105 LYS HA H 3.909 . . 1086 105 105 LYS HB2 H 1.981 . . 1087 105 105 LYS HB3 H 1.808 . . 1088 105 105 LYS HG2 H 1.370 . . 1089 105 105 LYS HD2 H 1.711 . . 1090 105 105 LYS HD3 H 1.565 . . 1091 105 105 LYS HE2 H 2.975 . . 1092 105 105 LYS HE3 H 2.768 . . 1093 105 105 LYS C C 179.483 . . 1094 105 105 LYS CA C 60.559 . . 1095 105 105 LYS CB C 32.086 . . 1096 105 105 LYS CG C 25.890 . . 1097 105 105 LYS CD C 29.863 . . 1098 105 105 LYS CE C 42.485 . . 1099 105 105 LYS N N 120.477 . . 1100 106 106 GLN H H 8.516 . . 1101 106 106 GLN HA H 4.176 . . 1102 106 106 GLN HB2 H 2.117 . . 1103 106 106 GLN HB3 H 1.971 . . 1104 106 106 GLN HG2 H 2.410 . . 1105 106 106 GLN HG3 H 2.335 . . 1106 106 106 GLN HE21 H 6.512 . . 1107 106 106 GLN HE22 H 6.760 . . 1108 106 106 GLN C C 179.395 . . 1109 106 106 GLN CA C 59.116 . . 1110 106 106 GLN CB C 29.337 . . 1111 106 106 GLN CG C 34.750 . . 1112 106 106 GLN N N 119.776 . . 1113 106 106 GLN NE2 N 110.902 . . 1114 107 107 PHE H H 7.746 . . 1115 107 107 PHE HA H 4.212 . . 1116 107 107 PHE HB2 H 3.157 . . 1117 107 107 PHE HB3 H 2.997 . . 1118 107 107 PHE HD2 H 7.177 . . 1119 107 107 PHE HE2 H 7.014 . . 1120 107 107 PHE HZ H 6.700 . . 1121 107 107 PHE C C 178.316 . . 1122 107 107 PHE CA C 62.570 . . 1123 107 107 PHE CB C 39.919 . . 1124 107 107 PHE CD2 C 131.074 . . 1125 107 107 PHE CE2 C 131.192 . . 1126 107 107 PHE CZ C 128.850 . . 1127 107 107 PHE N N 123.271 . . 1128 108 108 ASP H H 8.403 . . 1129 108 108 ASP HA H 4.377 . . 1130 108 108 ASP HB2 H 3.012 . . 1131 108 108 ASP HB3 H 2.766 . . 1132 108 108 ASP C C 177.416 . . 1133 108 108 ASP CA C 58.469 . . 1134 108 108 ASP CB C 44.090 . . 1135 108 108 ASP N N 117.940 . . 1136 109 109 ALA H H 8.290 . . 1137 109 109 ALA HA H 4.060 . . 1138 109 109 ALA HB H 1.532 . . 1139 109 109 ALA C C 180.599 . . 1140 109 109 ALA CA C 55.118 . . 1141 109 109 ALA CB C 18.137 . . 1142 109 109 ALA N N 118.985 . . 1143 110 110 LEU H H 7.749 . . 1144 110 110 LEU HA H 4.086 . . 1145 110 110 LEU HB2 H 1.787 . . 1146 110 110 LEU HB3 H 1.426 . . 1147 110 110 LEU HG H -0.241 . . 1148 110 110 LEU HD1 H 0.568 . . 1149 110 110 LEU HD2 H 0.930 . . 1150 110 110 LEU C C 177.909 . . 1151 110 110 LEU CA C 57.797 . . 1152 110 110 LEU CB C 41.679 . . 1153 110 110 LEU CG C 26.759 . . 1154 110 110 LEU CD1 C 23.263 . . 1155 110 110 LEU CD2 C 27.000 . . 1156 110 110 LEU N N 120.842 . . 1157 111 111 LEU H H 7.737 . . 1158 111 111 LEU HA H 3.713 . . 1159 111 111 LEU HB2 H 1.336 . . 1160 111 111 LEU HB3 H 0.606 . . 1161 111 111 LEU HG H 1.783 . . 1162 111 111 LEU HD1 H 0.595 . . 1163 111 111 LEU HD2 H 0.296 . . 1164 111 111 LEU C C 179.924 . . 1165 111 111 LEU CA C 58.212 . . 1166 111 111 LEU CB C 38.962 . . 1167 111 111 LEU CG C 25.743 . . 1168 111 111 LEU CD1 C 21.860 . . 1169 111 111 LEU CD2 C 24.439 . . 1170 111 111 LEU N N 117.658 . . 1171 112 112 GLN H H 8.462 . . 1172 112 112 GLN HA H 4.142 . . 1173 112 112 GLN HB2 H 2.350 . . 1174 112 112 GLN HB3 H 2.230 . . 1175 112 112 GLN HG2 H 2.390 . . 1176 112 112 GLN HE21 H 7.610 . . 1177 112 112 GLN HE22 H 8.089 . . 1178 112 112 GLN C C 181.257 . . 1179 112 112 GLN CA C 58.985 . . 1180 112 112 GLN CB C 29.368 . . 1181 112 112 GLN CG C 35.000 . . 1182 112 112 GLN N N 119.073 . . 1183 112 112 GLN NE2 N 117.700 . . 1184 113 113 GLU H H 8.261 . . 1185 113 113 GLU HA H 4.193 . . 1186 113 113 GLU HB2 H 2.342 . . 1187 113 113 GLU HG2 H 2.454 . . 1188 113 113 GLU C C 178.068 . . 1189 113 113 GLU CA C 59.243 . . 1190 113 113 GLU CB C 29.288 . . 1191 113 113 GLU CG C 36.553 . . 1192 113 113 GLU N N 123.470 . . 1193 114 114 GLN H H 7.510 . . 1194 114 114 GLN HA H 4.599 . . 1195 114 114 GLN HB2 H 2.319 . . 1196 114 114 GLN HB3 H 1.724 . . 1197 114 114 GLN HG2 H 2.175 . . 1198 114 114 GLN HG3 H 2.853 . . 1199 114 114 GLN HE21 H 6.240 . . 1200 114 114 GLN HE22 H 7.420 . . 1201 114 114 GLN C C 174.545 . . 1202 114 114 GLN CA C 56.487 . . 1203 114 114 GLN CB C 25.764 . . 1204 114 114 GLN CG C 33.330 . . 1205 114 114 GLN N N 117.862 . . 1206 114 114 GLN NE2 N 109.757 . . 1207 115 115 SER H H 7.942 . . 1208 115 115 SER HA H 4.193 . . 1209 115 115 SER HB2 H 4.288 . . 1210 115 115 SER C C 172.384 . . 1211 115 115 SER CA C 60.405 . . 1212 115 115 SER CB C 61.365 . . 1213 115 115 SER N N 109.754 . . 1214 116 116 ALA H H 7.798 . . 1215 116 116 ALA HA H 4.803 . . 1216 116 116 ALA HB H 1.417 . . 1217 116 116 ALA C C 176.827 . . 1218 116 116 ALA CA C 51.772 . . 1219 116 116 ALA CB C 21.370 . . 1220 116 116 ALA N N 121.647 . . 1221 117 117 GLN H H 8.591 . . 1222 117 117 GLN HA H 4.611 . . 1223 117 117 GLN HB2 H 2.058 . . 1224 117 117 GLN HG2 H 2.380 . . 1225 117 117 GLN HG3 H 2.259 . . 1226 117 117 GLN HE21 H 7.677 . . 1227 117 117 GLN HE22 H 6.889 . . 1228 117 117 GLN C C 173.863 . . 1229 117 117 GLN CA C 54.672 . . 1230 117 117 GLN CB C 30.843 . . 1231 117 117 GLN CG C 33.659 . . 1232 117 117 GLN N N 118.679 . . 1233 117 117 GLN NE2 N 113.400 . . 1234 118 118 ARG H H 8.682 . . 1235 118 118 ARG HA H 3.359 . . 1236 118 118 ARG HB2 H 1.641 . . 1237 118 118 ARG HB3 H 1.469 . . 1238 118 118 ARG HG2 H 1.137 . . 1239 118 118 ARG HG3 H 1.534 . . 1240 118 118 ARG HD2 H 3.381 . . 1241 118 118 ARG HD3 H 3.294 . . 1242 118 118 ARG HE H 8.302 . . 1243 118 118 ARG C C 176.859 . . 1244 118 118 ARG CA C 56.149 . . 1245 118 118 ARG CB C 30.320 . . 1246 118 118 ARG CG C 28.560 . . 1247 118 118 ARG CD C 43.761 . . 1248 118 118 ARG N N 128.711 . . 1249 118 118 ARG NE N 113.682 . . 1250 119 119 VAL H H 9.568 . . 1251 119 119 VAL HA H 4.128 . . 1252 119 119 VAL HB H 1.866 . . 1253 119 119 VAL HG1 H 0.460 . . 1254 119 119 VAL HG2 H 0.962 . . 1255 119 119 VAL C C 176.801 . . 1256 119 119 VAL CA C 62.278 . . 1257 119 119 VAL CB C 32.689 . . 1258 119 119 VAL CG1 C 21.600 . . 1259 119 119 VAL CG2 C 21.910 . . 1260 119 119 VAL N N 132.609 . . 1261 120 120 GLY H H 8.771 . . 1262 120 120 GLY HA2 H 4.257 . . 1263 120 120 GLY HA3 H 3.812 . . 1264 120 120 GLY C C 172.806 . . 1265 120 120 GLY CA C 44.087 . . 1266 120 120 GLY N N 116.879 . . 1267 121 121 GLU H H 8.554 . . 1268 121 121 GLU HA H 4.671 . . 1269 121 121 GLU HB2 H 2.187 . . 1270 121 121 GLU HB3 H 2.008 . . 1271 121 121 GLU HG2 H 2.414 . . 1272 121 121 GLU HG3 H 2.379 . . 1273 121 121 GLU C C 177.354 . . 1274 121 121 GLU CA C 54.568 . . 1275 121 121 GLU CB C 31.658 . . 1276 121 121 GLU CG C 36.298 . . 1277 121 121 GLU N N 119.353 . . 1278 122 122 MET H H 8.917 . . 1279 122 122 MET HA H 4.469 . . 1280 122 122 MET HB2 H 1.960 . . 1281 122 122 MET HB3 H 1.865 . . 1282 122 122 MET HG2 H 2.251 . . 1283 122 122 MET HG3 H 2.131 . . 1284 122 122 MET HE H 1.889 . . 1285 122 122 MET C C 175.555 . . 1286 122 122 MET CA C 56.925 . . 1287 122 122 MET CB C 34.256 . . 1288 122 122 MET CG C 30.095 . . 1289 122 122 MET CE C 16.189 . . 1290 122 122 MET N N 123.600 . . 1291 123 123 LEU H H 7.667 . . 1292 123 123 LEU HA H 4.348 . . 1293 123 123 LEU HB2 H 0.756 . . 1294 123 123 LEU HB3 H -0.336 . . 1295 123 123 LEU HG H 0.268 . . 1296 123 123 LEU HD1 H 0.808 . . 1297 123 123 LEU HD2 H 0.994 . . 1298 123 123 LEU C C 173.492 . . 1299 123 123 LEU CA C 53.800 . . 1300 123 123 LEU CB C 41.185 . . 1301 123 123 LEU CG C 26.240 . . 1302 123 123 LEU CD1 C 22.119 . . 1303 123 123 LEU CD2 C 27.000 . . 1304 123 123 LEU N N 130.351 . . 1305 124 124 LEU H H 8.385 . . 1306 124 124 LEU HA H 5.059 . . 1307 124 124 LEU HB2 H 1.832 . . 1308 124 124 LEU HB3 H 1.477 . . 1309 124 124 LEU HG H 1.543 . . 1310 124 124 LEU HD1 H 0.682 . . 1311 124 124 LEU HD2 H 0.930 . . 1312 124 124 LEU C C 176.395 . . 1313 124 124 LEU CA C 54.190 . . 1314 124 124 LEU CB C 41.240 . . 1315 124 124 LEU CG C 27.975 . . 1316 124 124 LEU CD1 C 24.960 . . 1317 124 124 LEU CD2 C 26.000 . . 1318 124 124 LEU N N 127.925 . . 1319 125 125 ILE H H 8.991 . . 1320 125 125 ILE HA H 4.168 . . 1321 125 125 ILE HB H 1.864 . . 1322 125 125 ILE HG12 H 1.411 . . 1323 125 125 ILE HG13 H 0.681 . . 1324 125 125 ILE HG2 H 0.934 . . 1325 125 125 ILE HD1 H 0.715 . . 1326 125 125 ILE C C 173.620 . . 1327 125 125 ILE CA C 61.563 . . 1328 125 125 ILE CB C 39.350 . . 1329 125 125 ILE CG1 C 27.304 . . 1330 125 125 ILE CG2 C 17.220 . . 1331 125 125 ILE CD1 C 14.242 . . 1332 125 125 ILE N N 125.353 . . 1333 126 126 ASP H H 9.397 . . 1334 126 126 ASP HA H 5.057 . . 1335 126 126 ASP HB2 H 3.275 . . 1336 126 126 ASP HB3 H 2.789 . . 1337 126 126 ASP C C 177.281 . . 1338 126 126 ASP CA C 51.650 . . 1339 126 126 ASP CB C 42.040 . . 1340 126 126 ASP N N 126.912 . . 1341 127 127 ALA H H 10.021 . . 1342 127 127 ALA HA H 4.319 . . 1343 127 127 ALA HB H 1.795 . . 1344 127 127 ALA C C 178.727 . . 1345 127 127 ALA CA C 54.820 . . 1346 127 127 ALA CB C 19.130 . . 1347 127 127 ALA N N 131.253 . . 1348 128 128 SER H H 8.402 . . 1349 128 128 SER HA H 4.208 . . 1350 128 128 SER HB2 H 3.983 . . 1351 128 128 SER C C 174.873 . . 1352 128 128 SER CA C 62.010 . . 1353 128 128 SER CB C 63.330 . . 1354 128 128 SER N N 111.765 . . 1355 129 129 GLU H H 7.238 . . 1356 129 129 GLU HA H 4.474 . . 1357 129 129 GLU HB2 H 2.137 . . 1358 129 129 GLU HB3 H 1.925 . . 1359 129 129 GLU HG2 H 2.290 . . 1360 129 129 GLU HG3 H 2.152 . . 1361 129 129 GLU C C 176.030 . . 1362 129 129 GLU CA C 56.407 . . 1363 129 129 GLU CB C 32.430 . . 1364 129 129 GLU CG C 35.547 . . 1365 129 129 GLU N N 119.983 . . 1366 130 130 ASN H H 8.440 . . 1367 130 130 ASN HA H 5.245 . . 1368 130 130 ASN HB2 H 2.649 . . 1369 130 130 ASN HB3 H 2.520 . . 1370 130 130 ASN HD21 H 8.132 . . 1371 130 130 ASN HD22 H 6.627 . . 1372 130 130 ASN C C 171.685 . . 1373 130 130 ASN CA C 51.020 . . 1374 130 130 ASN CB C 40.180 . . 1375 130 130 ASN N N 116.806 . . 1376 130 130 ASN ND2 N 113.631 . . 1377 131 131 PRO HA H 4.564 . . 1378 131 131 PRO HB2 H 2.409 . . 1379 131 131 PRO HB3 H 2.140 . . 1380 131 131 PRO HG2 H 2.072 . . 1381 131 131 PRO HG3 H 1.995 . . 1382 131 131 PRO HD2 H 3.440 . . 1383 131 131 PRO HD3 H 3.880 . . 1384 131 131 PRO C C 176.382 . . 1385 131 131 PRO CA C 63.853 . . 1386 131 131 PRO CB C 32.247 . . 1387 131 131 PRO CG C 26.759 . . 1388 131 131 PRO CD C 50.475 . . 1389 132 132 GLU H H 7.699 . . 1390 132 132 GLU HA H 5.107 . . 1391 132 132 GLU HB2 H 2.100 . . 1392 132 132 GLU HB3 H 2.061 . . 1393 132 132 GLU HG2 H 2.310 . . 1394 132 132 GLU HG3 H 2.189 . . 1395 132 132 GLU C C 174.629 . . 1396 132 132 GLU CA C 53.055 . . 1397 132 132 GLU CB C 29.318 . . 1398 132 132 GLU CG C 35.882 . . 1399 132 132 GLU N N 120.155 . . 1400 133 133 PRO HA H 4.000 . . 1401 133 133 PRO HB2 H 2.546 . . 1402 133 133 PRO HB3 H 1.730 . . 1403 133 133 PRO HG2 H 2.011 . . 1404 133 133 PRO HG3 H 1.951 . . 1405 133 133 PRO HD2 H 3.702 . . 1406 133 133 PRO HD3 H 4.186 . . 1407 133 133 PRO C C 177.798 . . 1408 133 133 PRO CA C 65.684 . . 1409 133 133 PRO CB C 31.833 . . 1410 133 133 PRO CG C 27.273 . . 1411 133 133 PRO CD C 50.908 . . 1412 134 134 GLU H H 10.559 . . 1413 134 134 GLU HA H 5.300 . . 1414 134 134 GLU HB2 H 2.024 . . 1415 134 134 GLU HB3 H 1.737 . . 1416 134 134 GLU HG2 H 2.301 . . 1417 134 134 GLU HG3 H 2.166 . . 1418 134 134 GLU C C 178.429 . . 1419 134 134 GLU CA C 57.494 . . 1420 134 134 GLU CB C 26.760 . . 1421 134 134 GLU CG C 35.523 . . 1422 134 134 GLU N N 123.048 . . 1423 135 135 THR H H 8.025 . . 1424 135 135 THR HA H 4.176 . . 1425 135 135 THR HB H 4.296 . . 1426 135 135 THR HG2 H 1.390 . . 1427 135 135 THR C C 176.490 . . 1428 135 135 THR CA C 64.979 . . 1429 135 135 THR CB C 69.064 . . 1430 135 135 THR CG2 C 22.161 . . 1431 135 135 THR N N 113.971 . . 1432 136 136 GLU H H 7.576 . . 1433 136 136 GLU HA H 4.600 . . 1434 136 136 GLU HB2 H 2.101 . . 1435 136 136 GLU HB3 H 1.948 . . 1436 136 136 GLU HG2 H 2.272 . . 1437 136 136 GLU HG3 H 2.205 . . 1438 136 136 GLU C C 178.528 . . 1439 136 136 GLU CA C 56.407 . . 1440 136 136 GLU CB C 32.221 . . 1441 136 136 GLU CG C 36.494 . . 1442 136 136 GLU N N 119.297 . . 1443 137 137 SER H H 8.905 . . 1444 137 137 SER HA H 4.019 . . 1445 137 137 SER HB2 H 3.818 . . 1446 137 137 SER HB3 H 3.386 . . 1447 137 137 SER C C 175.727 . . 1448 137 137 SER CA C 62.337 . . 1449 137 137 SER CB C 61.527 . . 1450 137 137 SER N N 117.339 . . 1451 138 138 ASN H H 8.481 . . 1452 138 138 ASN HA H 4.621 . . 1453 138 138 ASN HB2 H 3.198 . . 1454 138 138 ASN HB3 H 2.772 . . 1455 138 138 ASN HD21 H 6.989 . . 1456 138 138 ASN HD22 H 7.202 . . 1457 138 138 ASN C C 175.787 . . 1458 138 138 ASN CA C 57.690 . . 1459 138 138 ASN CB C 34.196 . . 1460 138 138 ASN N N 124.278 . . 1461 138 138 ASN ND2 N 106.372 . . 1462 139 139 PRO HA H 4.469 . . 1463 139 139 PRO HB2 H 2.396 . . 1464 139 139 PRO HB3 H 1.980 . . 1465 139 139 PRO HG2 H 2.239 . . 1466 139 139 PRO HG3 H 2.105 . . 1467 139 139 PRO HD2 H 3.632 . . 1468 139 139 PRO HD3 H 3.509 . . 1469 139 139 PRO C C 180.133 . . 1470 139 139 PRO CA C 65.698 . . 1471 139 139 PRO CB C 30.591 . . 1472 139 139 PRO CG C 28.307 . . 1473 139 139 PRO CD C 50.220 . . 1474 140 140 TRP H H 7.067 . . 1475 140 140 TRP HA H 4.341 . . 1476 140 140 TRP HB2 H 3.655 . . 1477 140 140 TRP HB3 H 3.334 . . 1478 140 140 TRP HD1 H 7.362 . . 1479 140 140 TRP HE1 H 9.716 . . 1480 140 140 TRP HZ3 H 5.940 . . 1481 140 140 TRP C C 179.336 . . 1482 140 140 TRP CA C 62.303 . . 1483 140 140 TRP CB C 30.884 . . 1484 140 140 TRP CD1 C 127.681 . . 1485 140 140 TRP CD2 C 127.886 . . 1486 140 140 TRP CE3 C 119.000 . . 1487 140 140 TRP CZ3 C 121.117 . . 1488 140 140 TRP N N 120.294 . . 1489 140 140 TRP NE1 N 128.731 . . 1490 141 141 VAL H H 9.699 . . 1491 141 141 VAL HA H 3.763 . . 1492 141 141 VAL HB H 2.429 . . 1493 141 141 VAL HG1 H 1.134 . . 1494 141 141 VAL HG2 H 1.346 . . 1495 141 141 VAL C C 177.493 . . 1496 141 141 VAL CA C 66.720 . . 1497 141 141 VAL CB C 31.420 . . 1498 141 141 VAL CG1 C 22.464 . . 1499 141 141 VAL CG2 C 24.095 . . 1500 141 141 VAL N N 123.735 . . 1501 142 142 GLU H H 8.528 . . 1502 142 142 GLU HA H 3.752 . . 1503 142 142 GLU HB2 H 2.168 . . 1504 142 142 GLU HB3 H 2.068 . . 1505 142 142 GLU HG2 H 2.240 . . 1506 142 142 GLU HG3 H 2.352 . . 1507 142 142 GLU C C 178.906 . . 1508 142 142 GLU CA C 59.516 . . 1509 142 142 GLU CB C 29.579 . . 1510 142 142 GLU CG C 36.300 . . 1511 142 142 GLU N N 120.710 . . 1512 143 143 GLN H H 7.377 . . 1513 143 143 GLN HA H 4.333 . . 1514 143 143 GLN HB2 H 3.220 . . 1515 143 143 GLN HE22 H 7.102 . . 1516 143 143 GLN C C 177.691 . . 1517 143 143 GLN CA C 59.232 . . 1518 143 143 GLN CB C 28.564 . . 1519 143 143 GLN N N 115.452 . . 1520 143 143 GLN NE2 N 119.000 . . 1521 144 144 TRP H H 9.263 . . 1522 144 144 TRP HA H 3.355 . . 1523 144 144 TRP HB2 H 2.771 . . 1524 144 144 TRP HB3 H 1.910 . . 1525 144 144 TRP HD1 H 6.426 . . 1526 144 144 TRP HE1 H 9.312 . . 1527 144 144 TRP HZ2 H 7.146 . . 1528 144 144 TRP HZ3 H 6.630 . . 1529 144 144 TRP HH2 H 6.730 . . 1530 144 144 TRP C C 178.191 . . 1531 144 144 TRP CA C 62.853 . . 1532 144 144 TRP CB C 28.564 . . 1533 144 144 TRP CD1 C 127.681 . . 1534 144 144 TRP CE3 C 117.130 . . 1535 144 144 TRP CZ2 C 112.900 . . 1536 144 144 TRP CZ3 C 121.350 . . 1537 144 144 TRP CH2 C 123.220 . . 1538 144 144 TRP N N 127.610 . . 1539 144 144 TRP NE1 N 127.905 . . 1540 145 145 GLY H H 8.841 . . 1541 145 145 GLY HA2 H 4.598 . . 1542 145 145 GLY HA3 H 3.181 . . 1543 145 145 GLY C C 177.335 . . 1544 145 145 GLY CA C 46.801 . . 1545 145 145 GLY N N 129.700 . . 1546 146 146 THR H H 7.543 . . 1547 146 146 THR HA H 4.329 . . 1548 146 146 THR HB H 4.276 . . 1549 146 146 THR HG2 H 1.366 . . 1550 146 146 THR C C 175.550 . . 1551 146 146 THR CA C 63.380 . . 1552 146 146 THR CB C 69.764 . . 1553 146 146 THR CG2 C 21.289 . . 1554 146 146 THR N N 111.360 . . 1555 147 147 LEU H H 7.471 . . 1556 147 147 LEU HA H 4.070 . . 1557 147 147 LEU HB2 H 1.395 . . 1558 147 147 LEU HB3 H 1.126 . . 1559 147 147 LEU HG H 1.256 . . 1560 147 147 LEU HD1 H 0.507 . . 1561 147 147 LEU HD2 H 0.580 . . 1562 147 147 LEU C C 177.137 . . 1563 147 147 LEU CA C 54.603 . . 1564 147 147 LEU CB C 41.165 . . 1565 147 147 LEU CG C 25.200 . . 1566 147 147 LEU CD1 C 21.087 . . 1567 147 147 LEU CD2 C 24.874 . . 1568 147 147 LEU N N 121.255 . . 1569 148 148 LEU H H 6.483 . . 1570 148 148 LEU HA H 3.726 . . 1571 148 148 LEU HB2 H 1.009 . . 1572 148 148 LEU HB3 H 0.058 . . 1573 148 148 LEU HG H -0.672 . . 1574 148 148 LEU HD1 H -0.952 . . 1575 148 148 LEU HD2 H 0.860 . . 1576 148 148 LEU C C 175.594 . . 1577 148 148 LEU CA C 53.829 . . 1578 148 148 LEU CB C 39.700 . . 1579 148 148 LEU CG C 24.697 . . 1580 148 148 LEU CD1 C 19.798 . . 1581 148 148 LEU CD2 C 24.860 . . 1582 148 148 LEU N N 117.751 . . 1583 149 149 SER H H 7.509 . . 1584 149 149 SER HA H 4.304 . . 1585 149 149 SER HB2 H 3.850 . . 1586 149 149 SER HB3 H 3.797 . . 1587 149 149 SER C C 179.069 . . 1588 149 149 SER CA C 60.048 . . 1589 149 149 SER CB C 65.204 . . 1590 149 149 SER N N 121.588 . . stop_ save_