data_6336 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of human AP4A hydrolase in complex with ATP ; _BMRB_accession_number 6336 _BMRB_flat_file_name bmr6336.str _Entry_type original _Submission_date 2004-10-05 _Accession_date 2004-10-05 _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 Swarbrick James D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 899 "13C chemical shifts" 652 "15N chemical shifts" 157 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-11-14 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 6330 'assignment of apo AP4A hydrolase monomer' stop_ _Original_release_date 2005-11-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 13C, and 15N resonance assignments of the 17 kDa Ap4A hydrolase from Homo sapiens in the presence and absence of ATP ; _Citation_status published _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 Swarbrick James D. . 2 Buyya S. . . 3 Gunawardana D. . . 4 Fletcher Jamie L. . 5 Branson Kim . . 6 Smith Brian . . 7 Pepe Salvatore . . 8 McLennan A. G. . 9 Gayler K. R. . 10 Gooley Paul R. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 31 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 181 _Page_last 182 _Year 2005 _Details . loop_ _Keyword 'NMR nudix assignment AP4A' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_citation _Saveframe_category citation _Citation_full . _Citation_title 'Structure and substrate-binding mechanism of human AP4A hydrolase' _Citation_status . _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15596429 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Swarbrick James D. . 2 Buyya S. . . 3 Gunawardana D. . . 4 Gayler K. R. . 5 McLennan A. G. . 6 Gooley Paul R. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full . _Journal_volume 280 _Journal_issue 9 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 8471 _Page_last 8481 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_molecular_system_AP4A _Saveframe_category molecular_system _Mol_system_name 'AP4A hydrolase with ATP' _Abbreviation_common 'AP4A hydrolase with ATP' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'AP4A hydrolase monomer' $AP4A_hydrolase ATP $ATP stop_ _System_molecular_weight 17280.85 _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_AP4A_hydrolase _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common AP4A _Abbreviation_common AP4A _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 153 _Mol_residue_sequence ; GPLGSMALRACGLIIFRRCL IPKVDNNAIEFLLLQASDGI HHWTPPKGHVEPGEDDLETA LRATQEEAGIEAGQLTIIEG FKRELNYVARNKPKTVIYWL AEVKDYDVEIRLSHEHQAYR WLGLEEACQLAQFKEMKAAL QEGHQFLCSIEAL ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 LEU 4 GLY 5 SER 6 MET 7 ALA 8 LEU 9 ARG 10 ALA 11 CYS 12 GLY 13 LEU 14 ILE 15 ILE 16 PHE 17 ARG 18 ARG 19 CYS 20 LEU 21 ILE 22 PRO 23 LYS 24 VAL 25 ASP 26 ASN 27 ASN 28 ALA 29 ILE 30 GLU 31 PHE 32 LEU 33 LEU 34 LEU 35 GLN 36 ALA 37 SER 38 ASP 39 GLY 40 ILE 41 HIS 42 HIS 43 TRP 44 THR 45 PRO 46 PRO 47 LYS 48 GLY 49 HIS 50 VAL 51 GLU 52 PRO 53 GLY 54 GLU 55 ASP 56 ASP 57 LEU 58 GLU 59 THR 60 ALA 61 LEU 62 ARG 63 ALA 64 THR 65 GLN 66 GLU 67 GLU 68 ALA 69 GLY 70 ILE 71 GLU 72 ALA 73 GLY 74 GLN 75 LEU 76 THR 77 ILE 78 ILE 79 GLU 80 GLY 81 PHE 82 LYS 83 ARG 84 GLU 85 LEU 86 ASN 87 TYR 88 VAL 89 ALA 90 ARG 91 ASN 92 LYS 93 PRO 94 LYS 95 THR 96 VAL 97 ILE 98 TYR 99 TRP 100 LEU 101 ALA 102 GLU 103 VAL 104 LYS 105 ASP 106 TYR 107 ASP 108 VAL 109 GLU 110 ILE 111 ARG 112 LEU 113 SER 114 HIS 115 GLU 116 HIS 117 GLN 118 ALA 119 TYR 120 ARG 121 TRP 122 LEU 123 GLY 124 LEU 125 GLU 126 GLU 127 ALA 128 CYS 129 GLN 130 LEU 131 ALA 132 GLN 133 PHE 134 LYS 135 GLU 136 MET 137 LYS 138 ALA 139 ALA 140 LEU 141 GLN 142 GLU 143 GLY 144 HIS 145 GLN 146 PHE 147 LEU 148 CYS 149 SER 150 ILE 151 GLU 152 ALA 153 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 6330 AP4A_hydrolase 100.00 153 100.00 100.00 9.61e-108 PDB 1XSA "Structure Of The Nudix Enzyme Ap4a Hydrolase From Homo Sapiens (E63a Mutant)" 100.00 153 100.00 100.00 9.61e-108 PDB 1XSB "Structure Of The Nudix Enzyme Ap4a Hydrolase From Homo Sapiens (E63a Mutant) In Complex With Atp. No Atp Restraints Included" 100.00 153 100.00 100.00 9.61e-108 PDB 1XSC "Structure Of The Nudix Enzyme Ap4a Hydrolase From Homo Sapiens (e63a Mutant) In Complex With Atp" 100.00 153 100.00 100.00 9.61e-108 PDB 3U53 "Crystal Structure Of Human Ap4a Hydrolase" 96.73 155 99.32 99.32 1.65e-102 PDB 4ICK "Crystal Structure Of Human Ap4a Hydrolase E58a Mutant" 96.73 155 100.00 100.00 2.26e-103 PDB 4IJX "Crystal Structure Of Human Ap4a Hydrolase E58a Mutant Complexed With Dpo" 96.73 155 100.00 100.00 2.26e-103 GB AAC50277 "diadenosine tetraphosphatase [Homo sapiens]" 96.08 147 99.32 99.32 2.54e-102 GB AAH04926 "Nudix (nucleoside diphosphate linked moiety X)-type motif 2 [Homo sapiens]" 96.08 147 99.32 99.32 2.54e-102 GB AAX36304 "nudix-type motif 2 [synthetic construct]" 96.08 147 99.32 99.32 2.54e-102 GB AAX36755 "nudix-type motif 2 [synthetic construct]" 96.73 148 99.32 99.32 8.71e-103 GB AAX41136 "nudix-type motif 2 [synthetic construct]" 96.08 147 99.32 99.32 2.54e-102 REF NP_001152 "bis(5'-nucleosyl)-tetraphosphatase [asymmetrical] [Homo sapiens]" 96.08 147 99.32 99.32 2.54e-102 REF NP_001231319 "bis(5'-nucleosyl)-tetraphosphatase [asymmetrical] [Homo sapiens]" 96.08 147 99.32 99.32 2.54e-102 REF NP_671701 "bis(5'-nucleosyl)-tetraphosphatase [asymmetrical] [Homo sapiens]" 96.08 147 99.32 99.32 2.54e-102 REF NP_671702 "bis(5'-nucleosyl)-tetraphosphatase [asymmetrical] [Homo sapiens]" 96.08 147 99.32 99.32 2.54e-102 REF XP_001160435 "PREDICTED: bis(5'-nucleosyl)-tetraphosphatase [asymmetrical] [Pan troglodytes]" 96.08 147 99.32 99.32 2.54e-102 SP P50583 "RecName: Full=Bis(5'-nucleosyl)-tetraphosphatase [asymmetrical]; AltName: Full=Diadenosine 5',5'''-P1,P4-tetraphosphate asymmet" 96.08 147 99.32 99.32 2.54e-102 stop_ save_ ############# # Ligands # ############# save_ATP _Saveframe_category ligand _Mol_type non-polymer _Name_common "ATP (ADENOSINE-5'-TRIPHOSPHATE)" _BMRB_code . _PDB_code ATP _Molecular_mass 507.181 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 17 13:36:23 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons PG PG P . 0 . ? O1G O1G O . 0 . ? O2G O2G O . 0 . ? O3G O3G O . 0 . ? PB PB P . 0 . ? O1B O1B O . 0 . ? O2B O2B O . 0 . ? O3B O3B O . 0 . ? PA PA P . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? O3A O3A O . 0 . ? O5' O5' O . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C1' C1' C . 0 . ? N9 N9 N . 0 . ? C8 C8 C . 0 . ? N7 N7 N . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? N6 N6 N . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? HOG2 HOG2 H . 0 . ? HOG3 HOG3 H . 0 . ? HOB2 HOB2 H . 0 . ? HOA2 HOA2 H . 0 . ? H5'1 H5'1 H . 0 . ? H5'2 H5'2 H . 0 . ? H4' H4' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H2' H2' H . 0 . ? HO2' HO2' H . 0 . ? H1' H1' H . 0 . ? H8 H8 H . 0 . ? HN61 HN61 H . 0 . ? HN62 HN62 H . 0 . ? H2 H2 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB PG O1G ? ? SING PG O2G ? ? SING PG O3G ? ? SING PG O3B ? ? SING O2G HOG2 ? ? SING O3G HOG3 ? ? DOUB PB O1B ? ? SING PB O2B ? ? SING PB O3B ? ? SING PB O3A ? ? SING O2B HOB2 ? ? DOUB PA O1A ? ? SING PA O2A ? ? SING PA O3A ? ? SING PA O5' ? ? SING O2A HOA2 ? ? SING O5' C5' ? ? SING C5' C4' ? ? SING C5' H5'1 ? ? SING C5' H5'2 ? ? SING C4' O4' ? ? SING C4' C3' ? ? SING C4' H4' ? ? SING O4' C1' ? ? SING C3' O3' ? ? SING C3' C2' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C2' O2' ? ? SING C2' C1' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C1' N9 ? ? SING C1' H1' ? ? SING N9 C8 ? ? SING N9 C4 ? ? DOUB C8 N7 ? ? SING C8 H8 ? ? SING N7 C5 ? ? SING C5 C6 ? ? DOUB C5 C4 ? ? SING C6 N6 ? ? DOUB C6 N1 ? ? SING N6 HN61 ? ? SING N6 HN62 ? ? SING N1 C2 ? ? DOUB C2 N3 ? ? SING C2 H2 ? ? SING N3 C4 ? ? 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 $AP4A_hydrolase Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $AP4A_hydrolase 'recombinant technology' 'E. coli' . . . . 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 $AP4A_hydrolase 1.0 mM '[U-95% 13C; U-95% 15N]' $ATP 1.5 mM '[U-95% 13C; U-95% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Saveframe_category software _Name nmrPipe _Version 2.1 loop_ _Vendor _Address _Electronic_address 'F. Delaglio' 'NIH :aboratory of CHemical Physics NIDDK' . stop_ _Details . save_ save_software _Saveframe_category software _Name XEASY _Version 1.4 loop_ _Vendor _Address _Electronic_address 'Kurt Wuthrich' . . stop_ _Details 'xeasy software ETH' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 pH temperature 293 1 K 'ionic strength' 40 2 mM stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'AP4A hydrolase monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 GLY CA C 43.6 . 1 2 . 1 GLY HA2 H 3.87 . 1 3 . 1 GLY HA3 H 3.87 . 1 4 . 2 PRO CD C 49.8 . 1 5 . 2 PRO CA C 63.0 . 1 6 . 2 PRO HA H 4.37 . 1 7 . 2 PRO CB C 32.4 . 1 8 . 2 PRO HB2 H 2.21 . 2 9 . 2 PRO HB3 H 1.85 . 2 10 . 2 PRO CG C 27.1 . 1 11 . 2 PRO HG2 H 1.92 . 1 12 . 2 PRO HG3 H 1.92 . 1 13 . 2 PRO HD2 H 3.46 . 1 14 . 2 PRO HD3 H 3.46 . 1 15 . 2 PRO C C 177.2 . 1 16 . 3 LEU N N 122.5 . 1 17 . 3 LEU H H 8.48 . 1 18 . 3 LEU CA C 55.5 . 1 19 . 3 LEU HA H 4.23 . 1 20 . 3 LEU CB C 42.3 . 1 21 . 3 LEU HB2 H 1.57 . 2 22 . 3 LEU HB3 H 1.50 . 2 23 . 3 LEU CG C 27.2 . 1 24 . 3 LEU HG H 1.55 . 1 25 . 3 LEU HD1 H 0.78 . 2 26 . 3 LEU HD2 H 0.83 . 2 27 . 3 LEU CD1 C 23.6 . 1 28 . 3 LEU CD2 C 25.1 . 1 29 . 3 LEU C C 178.2 . 1 30 . 4 GLY N N 109.6 . 1 31 . 4 GLY H H 8.35 . 1 32 . 4 GLY CA C 45.4 . 1 33 . 4 GLY HA2 H 3.86 . 1 34 . 4 GLY HA3 H 3.86 . 1 35 . 4 GLY C C 174.4 . 1 36 . 5 SER N N 115.3 . 1 37 . 5 SER H H 8.11 . 1 38 . 5 SER CA C 58.4 . 1 39 . 5 SER HA H 4.30 . 1 40 . 5 SER CB C 63.9 . 1 41 . 5 SER HB2 H 3.79 . 2 42 . 5 SER HB3 H 3.72 . 2 43 . 5 SER C C 174.8 . 1 44 . 6 MET N N 122.1 . 1 45 . 6 MET H H 8.30 . 1 46 . 6 MET CA C 55.3 . 1 47 . 6 MET HA H 4.36 . 1 48 . 6 MET CB C 32.9 . 1 49 . 6 MET HB2 H 2.01 . 2 50 . 6 MET HB3 H 1.92 . 2 51 . 6 MET CG C 32.2 . 1 52 . 6 MET HG2 H 2.44 . 2 53 . 6 MET HG3 H 2.51 . 2 54 . 6 MET HE H 2.00 . 1 55 . 6 MET CE C 17.1 . 1 56 . 6 MET C C 175.6 . 1 57 . 7 ALA N N 123.7 . 1 58 . 7 ALA H H 7.94 . 1 59 . 7 ALA CA C 52.0 . 1 60 . 7 ALA HA H 4.19 . 1 61 . 7 ALA HB H 1.13 . 1 62 . 7 ALA CB C 19.8 . 1 63 . 7 ALA C C 177.5 . 1 64 . 8 LEU N N 122.7 . 1 65 . 8 LEU H H 8.26 . 1 66 . 8 LEU CA C 54.9 . 1 67 . 8 LEU HA H 4.30 . 1 68 . 8 LEU CB C 43.3 . 1 69 . 8 LEU HB2 H 1.45 . 1 70 . 8 LEU HB3 H 1.45 . 1 71 . 8 LEU CG C 27.3 . 1 72 . 8 LEU HG H 1.42 . 1 73 . 8 LEU HD1 H 0.70 . 2 74 . 8 LEU HD2 H 0.65 . 2 75 . 8 LEU CD1 C 25.5 . 1 76 . 8 LEU CD2 C 23.8 . 1 77 . 8 LEU C C 175.6 . 1 78 . 9 ARG N N 124.8 . 1 79 . 9 ARG H H 8.32 . 1 80 . 9 ARG CA C 55.2 . 1 81 . 9 ARG HA H 5.04 . 1 82 . 9 ARG CB C 28.9 . 1 83 . 9 ARG HB2 H 1.62 . 2 84 . 9 ARG HB3 H 1.49 . 2 85 . 9 ARG CG C 33.2 . 1 86 . 9 ARG HG2 H 1.37 . 2 87 . 9 ARG HG3 H 1.19 . 2 88 . 9 ARG CD C 43.3 . 1 89 . 9 ARG HD2 H 2.98 . 1 90 . 9 ARG HD3 H 2.98 . 1 91 . 9 ARG C C 174.5 . 1 92 . 10 ALA N N 128.3 . 1 93 . 10 ALA H H 8.98 . 1 94 . 10 ALA CA C 50.2 . 1 95 . 10 ALA HA H 5.20 . 1 96 . 10 ALA HB H 0.93 . 1 97 . 10 ALA CB C 23.5 . 1 98 . 10 ALA C C 175.6 . 1 99 . 11 CYS N N 115.7 . 1 100 . 11 CYS H H 8.63 . 1 101 . 11 CYS CA C 55.7 . 1 102 . 11 CYS HA H 5.47 . 1 103 . 11 CYS CB C 33.4 . 1 104 . 11 CYS HB2 H 3.10 . 2 105 . 11 CYS HB3 H 2.48 . 2 106 . 11 CYS HG H 1.64 . 1 107 . 11 CYS C C 174.0 . 1 108 . 12 GLY N N 110.8 . 1 109 . 12 GLY H H 9.29 . 1 110 . 12 GLY CA C 45.6 . 1 111 . 12 GLY HA2 H 4.51 . 1 112 . 12 GLY HA3 H 4.51 . 1 113 . 12 GLY C C 171.6 . 1 114 . 13 LEU N N 115.3 . 1 115 . 13 LEU H H 7.52 . 1 116 . 13 LEU CA C 52.7 . 1 117 . 13 LEU HA H 5.38 . 1 118 . 13 LEU CB C 45.5 . 1 119 . 13 LEU HB2 H 1.74 . 1 120 . 13 LEU HB3 H 1.74 . 1 121 . 13 LEU CG C 27.7 . 1 122 . 13 LEU HG H 1.37 . 1 123 . 13 LEU HD1 H 0.71 . 2 124 . 13 LEU HD2 H 0.90 . 2 125 . 13 LEU CD1 C 26.5 . 1 126 . 13 LEU CD2 C 25.8 . 1 127 . 13 LEU C C 175.2 . 1 128 . 14 ILE N N 122.4 . 1 129 . 14 ILE H H 9.52 . 1 130 . 14 ILE CA C 61.9 . 1 131 . 14 ILE HA H 4.17 . 1 132 . 14 ILE CB C 37.8 . 1 133 . 14 ILE HB H 1.83 . 1 134 . 14 ILE HG2 H 0.82 . 1 135 . 14 ILE CG2 C 19.2 . 1 136 . 14 ILE CG1 C 27.9 . 1 137 . 14 ILE HG12 H 0.23 . 1 138 . 14 ILE HG13 H 0.23 . 1 139 . 14 ILE HD1 H 0.40 . 1 140 . 14 ILE CD1 C 13.3 . 1 141 . 14 ILE C C 174.8 . 1 142 . 15 ILE N N 130.9 . 1 143 . 15 ILE H H 7.82 . 1 144 . 15 ILE CA C 59.2 . 1 145 . 15 ILE HA H 5.30 . 1 146 . 15 ILE CB C 39.1 . 1 147 . 15 ILE HB H 1.63 . 1 148 . 15 ILE HG2 H 0.81 . 1 149 . 15 ILE CG2 C 19.1 . 1 150 . 15 ILE CG1 C 27.9 . 1 151 . 15 ILE HG12 H 1.48 . 2 152 . 15 ILE HG13 H 1.22 . 2 153 . 15 ILE HD1 H 0.73 . 1 154 . 15 ILE CD1 C 14.1 . 1 155 . 15 ILE C C 176.8 . 1 156 . 16 PHE N N 126.5 . 1 157 . 16 PHE H H 9.17 . 1 158 . 16 PHE CA C 55.5 . 1 159 . 16 PHE HA H 6.24 . 1 160 . 16 PHE CB C 43.4 . 1 161 . 16 PHE HB2 H 2.71 . 2 162 . 16 PHE HB3 H 2.56 . 2 163 . 16 PHE HD1 H 6.74 . 1 164 . 16 PHE HD2 H 6.74 . 1 165 . 16 PHE HE1 H 6.91 . 1 166 . 16 PHE HE2 H 6.91 . 1 167 . 16 PHE CD1 C 128.6 . 1 168 . 16 PHE CE1 C 130.6 . 1 169 . 16 PHE CZ C 132.0 . 1 170 . 16 PHE HZ H 7.19 . 1 171 . 16 PHE C C 171.6 . 1 172 . 17 ARG N N 115.9 . 1 173 . 17 ARG H H 9.26 . 1 174 . 17 ARG CA C 52.6 . 1 175 . 17 ARG HA H 4.82 . 1 176 . 17 ARG CB C 34.2 . 1 177 . 17 ARG HB2 H 1.23 . 1 178 . 17 ARG HB3 H 1.23 . 1 179 . 17 ARG C C 173.9 . 1 180 . 18 ARG N N 120.4 . 1 181 . 18 ARG H H 8.58 . 1 182 . 18 ARG CA C 54.6 . 1 183 . 18 ARG HA H 5.09 . 1 184 . 18 ARG CB C 28.2 . 1 185 . 18 ARG HB2 H 1.52 . 2 186 . 18 ARG HB3 H 1.47 . 2 187 . 18 ARG CG C 32.6 . 1 188 . 18 ARG HG2 H 1.70 . 2 189 . 18 ARG HG3 H 1.60 . 2 190 . 18 ARG CD C 43.7 . 1 191 . 18 ARG HD2 H 3.11 . 1 192 . 18 ARG HD3 H 3.11 . 1 193 . 18 ARG C C 175.6 . 1 194 . 19 CYS N N 122.2 . 1 195 . 19 CYS H H 8.63 . 1 196 . 19 CYS CA C 58.4 . 1 197 . 19 CYS HA H 4.10 . 1 198 . 19 CYS CB C 27.8 . 1 199 . 19 CYS HB2 H 2.71 . 1 200 . 19 CYS HB3 H 2.71 . 1 201 . 19 CYS C C 175.2 . 1 202 . 20 LEU N N 126.1 . 1 203 . 20 LEU H H 8.24 . 1 204 . 20 LEU CA C 56.1 . 1 205 . 20 LEU HA H 4.07 . 1 206 . 20 LEU CB C 41.9 . 1 207 . 20 LEU HB2 H 1.39 . 1 208 . 20 LEU HB3 H 1.39 . 1 209 . 20 LEU CG C 27.1 . 1 210 . 20 LEU HG H 1.40 . 1 211 . 20 LEU HD1 H 0.72 . 2 212 . 20 LEU HD2 H 0.67 . 2 213 . 20 LEU CD1 C 24.9 . 1 214 . 20 LEU CD2 C 23.3 . 1 215 . 20 LEU C C 177.3 . 1 216 . 21 ILE N N 119.9 . 1 217 . 21 ILE H H 7.65 . 1 218 . 21 ILE CA C 58.2 . 1 219 . 21 ILE HA H 4.32 . 1 220 . 21 ILE CB C 38.6 . 1 221 . 21 ILE HB H 1.68 . 1 222 . 21 ILE HG2 H 0.74 . 1 223 . 21 ILE CG2 C 17.5 . 1 224 . 21 ILE CG1 C 26.9 . 1 225 . 21 ILE HG12 H 1.27 . 2 226 . 21 ILE HG13 H 0.92 . 2 227 . 21 ILE HD1 H 0.69 . 1 228 . 21 ILE CD1 C 12.9 . 1 229 . 22 PRO CD C 50.8 . 1 230 . 22 PRO CA C 63.5 . 1 231 . 22 PRO HA H 4.23 . 1 232 . 22 PRO CB C 32.1 . 1 233 . 22 PRO HB2 H 2.05 . 2 234 . 22 PRO HB3 H 1.79 . 2 235 . 22 PRO CG C 27.6 . 1 236 . 22 PRO HG2 H 1.95 . 2 237 . 22 PRO HG3 H 1.79 . 2 238 . 22 PRO HD2 H 3.69 . 2 239 . 22 PRO HD3 H 3.54 . 2 240 . 22 PRO C C 176.9 . 1 241 . 23 LYS N N 120.5 . 1 242 . 23 LYS H H 8.33 . 1 243 . 23 LYS CA C 56.3 . 1 244 . 23 LYS HA H 4.23 . 1 245 . 23 LYS CB C 33.6 . 1 246 . 23 LYS HB2 H 1.82 . 2 247 . 23 LYS HB3 H 1.70 . 2 248 . 23 LYS HG2 H 1.36 . 2 249 . 23 LYS HG3 H 1.33 . 2 250 . 23 LYS CD C 29.3 . 1 251 . 23 LYS HD2 H 1.59 . 1 252 . 23 LYS HD3 H 1.59 . 1 253 . 23 LYS CE C 42.1 . 1 254 . 23 LYS HE2 H 2.89 . 1 255 . 23 LYS HE3 H 2.89 . 1 256 . 23 LYS C C 177.0 . 1 257 . 24 VAL N N 118.9 . 1 258 . 24 VAL H H 8.01 . 1 259 . 24 VAL CA C 63.0 . 1 260 . 24 VAL HA H 3.92 . 1 261 . 24 VAL CB C 32.6 . 1 262 . 24 VAL HB H 2.01 . 1 263 . 24 VAL CG2 C 21.1 . 1 264 . 24 VAL HG1 H 0.85 . 1 265 . 24 VAL HG2 H 0.85 . 1 266 . 24 VAL C C 176.1 . 1 267 . 25 ASP N N 120.5 . 1 268 . 25 ASP H H 8.21 . 1 269 . 25 ASP CA C 54.7 . 1 270 . 25 ASP HA H 4.40 . 1 271 . 25 ASP CB C 40.7 . 1 272 . 25 ASP HB2 H 2.66 . 1 273 . 25 ASP HB3 H 2.66 . 1 274 . 25 ASP C C 176.0 . 1 275 . 26 ASN N N 116.7 . 1 276 . 26 ASN H H 8.10 . 1 277 . 26 ASN CA C 53.5 . 1 278 . 26 ASN HA H 4.61 . 1 279 . 26 ASN CB C 39.4 . 1 280 . 26 ASN HB2 H 2.78 . 2 281 . 26 ASN HB3 H 2.71 . 2 282 . 26 ASN ND2 N 112.5 . 1 283 . 26 ASN HD21 H 7.48 . 2 284 . 26 ASN HD22 H 6.81 . 2 285 . 26 ASN C C 175.0 . 1 286 . 27 ASN N N 118.7 . 1 287 . 27 ASN H H 8.39 . 1 288 . 27 ASN CA C 53.1 . 1 289 . 27 ASN HA H 4.81 . 1 290 . 27 ASN CB C 39.4 . 1 291 . 27 ASN HB2 H 2.78 . 2 292 . 27 ASN HB3 H 2.72 . 2 293 . 27 ASN ND2 N 114.4 . 1 294 . 27 ASN HD21 H 7.90 . 2 295 . 27 ASN HD22 H 7.01 . 2 296 . 27 ASN C C 174.7 . 1 297 . 28 ALA N N 124.4 . 1 298 . 28 ALA H H 8.35 . 1 299 . 28 ALA CA C 53.9 . 1 300 . 28 ALA HA H 4.25 . 1 301 . 28 ALA HB H 1.42 . 1 302 . 28 ALA CB C 19.7 . 1 303 . 28 ALA C C 177.3 . 1 304 . 29 ILE N N 117.7 . 1 305 . 29 ILE H H 7.75 . 1 306 . 29 ILE CA C 60.2 . 1 307 . 29 ILE HA H 4.60 . 1 308 . 29 ILE CB C 40.0 . 1 309 . 29 ILE HB H 1.59 . 1 310 . 29 ILE HG2 H 0.19 . 1 311 . 29 ILE CG2 C 18.1 . 1 312 . 29 ILE CG1 C 27.8 . 1 313 . 29 ILE HG12 H 1.24 . 2 314 . 29 ILE HG13 H 0.79 . 2 315 . 29 ILE HD1 H 0.36 . 1 316 . 29 ILE CD1 C 13.3 . 1 317 . 29 ILE C C 175.7 . 1 318 . 30 GLU N N 123.9 . 1 319 . 30 GLU H H 8.55 . 1 320 . 30 GLU CA C 53.9 . 1 321 . 30 GLU HA H 4.73 . 1 322 . 30 GLU CB C 34.9 . 1 323 . 30 GLU HB2 H 1.28 . 1 324 . 30 GLU HB3 H 1.28 . 1 325 . 30 GLU C C 175.1 . 1 326 . 31 PHE N N 119.5 . 1 327 . 31 PHE H H 9.79 . 1 328 . 31 PHE CA C 57.6 . 1 329 . 31 PHE HA H 5.35 . 1 330 . 31 PHE CB C 42.3 . 1 331 . 31 PHE HB2 H 3.03 . 2 332 . 31 PHE HB3 H 2.51 . 2 333 . 31 PHE HD1 H 7.11 . 1 334 . 31 PHE HD2 H 7.11 . 1 335 . 31 PHE HE1 H 6.86 . 1 336 . 31 PHE HE2 H 6.86 . 1 337 . 31 PHE CD1 C 132.4 . 1 338 . 31 PHE CE1 C 130.3 . 1 339 . 31 PHE HZ H 6.72 . 1 340 . 31 PHE C C 175.4 . 1 341 . 32 LEU N N 123.3 . 1 342 . 32 LEU H H 7.74 . 1 343 . 32 LEU CA C 53.8 . 1 344 . 32 LEU HA H 4.29 . 1 345 . 32 LEU CB C 42.1 . 1 346 . 32 LEU HB2 H 1.17 . 2 347 . 32 LEU HB3 H -0.29 . 2 348 . 32 LEU CG C 27.0 . 1 349 . 32 LEU HG H 0.73 . 1 350 . 32 LEU HD1 H -0.33 . 2 351 . 32 LEU HD2 H 0.21 . 2 352 . 32 LEU CD1 C 22.5 . 1 353 . 32 LEU CD2 C 26.1 . 1 354 . 32 LEU C C 175.7 . 1 355 . 33 LEU N N 124.2 . 1 356 . 33 LEU H H 8.57 . 1 357 . 33 LEU CA C 53.3 . 1 358 . 33 LEU HA H 4.68 . 1 359 . 33 LEU CB C 46.9 . 1 360 . 33 LEU HB2 H 1.62 . 2 361 . 33 LEU HB3 H 1.39 . 2 362 . 33 LEU CG C 27.8 . 1 363 . 33 LEU HG H 1.42 . 1 364 . 33 LEU HD1 H 0.63 . 2 365 . 33 LEU HD2 H 0.66 . 2 366 . 33 LEU CD1 C 27.0 . 1 367 . 33 LEU CD2 C 23.5 . 1 368 . 33 LEU C C 174.5 . 1 369 . 34 LEU N N 120.0 . 1 370 . 34 LEU H H 8.78 . 1 371 . 34 LEU CA C 53.1 . 1 372 . 34 LEU HA H 4.89 . 1 373 . 34 LEU CB C 43.6 . 1 374 . 34 LEU HB2 H 1.25 . 2 375 . 34 LEU HB3 H 0.65 . 2 376 . 34 LEU CG C 27.7 . 1 377 . 34 LEU HG H 1.27 . 1 378 . 34 LEU HD1 H 0.23 . 2 379 . 34 LEU HD2 H 0.40 . 2 380 . 34 LEU CD1 C 25.4 . 1 381 . 34 LEU CD2 C 23.8 . 1 382 . 34 LEU C C 176.1 . 1 383 . 35 GLN N N 124.2 . 1 384 . 35 GLN H H 8.28 . 1 385 . 35 GLN CA C 53.8 . 1 386 . 35 GLN HA H 3.78 . 1 387 . 35 GLN CB C 26.8 . 1 388 . 35 GLN HB2 H 1.43 . 2 389 . 35 GLN HB3 H -1.42 . 2 390 . 35 GLN CG C 37.1 . 1 391 . 35 GLN HG2 H 0.63 . 1 392 . 35 GLN HG3 H 0.63 . 1 393 . 35 GLN C C 176.3 . 1 394 . 36 ALA N N 132.4 . 1 395 . 36 ALA H H 8.80 . 1 396 . 36 ALA CA C 53.5 . 1 397 . 36 ALA HA H 4.17 . 1 398 . 36 ALA HB H 1.36 . 1 399 . 36 ALA CB C 19.6 . 1 400 . 36 ALA C C 178.4 . 1 401 . 37 SER N N 116.7 . 1 402 . 37 SER H H 8.15 . 1 403 . 37 SER CA C 58.8 . 1 404 . 37 SER HA H 4.36 . 1 405 . 37 SER CB C 64.1 . 1 406 . 37 SER HB2 H 3.82 . 2 407 . 37 SER HB3 H 3.44 . 2 408 . 37 SER C C 172.5 . 1 409 . 38 ASP N N 122.0 . 1 410 . 38 ASP H H 7.83 . 1 411 . 38 ASP CA C 51.7 . 1 412 . 38 ASP HA H 4.64 . 1 413 . 38 ASP CB C 42.9 . 1 414 . 38 ASP HB2 H 2.60 . 2 415 . 38 ASP HB3 H 2.62 . 2 416 . 38 ASP C C 175.0 . 1 417 . 39 GLY N N 105.4 . 1 418 . 39 GLY H H 8.17 . 1 419 . 39 GLY CA C 47.0 . 1 420 . 39 GLY HA2 H 3.66 . 2 421 . 39 GLY HA3 H 3.53 . 2 422 . 39 GLY C C 175.6 . 1 423 . 40 ILE N N 119.2 . 1 424 . 40 ILE H H 8.69 . 1 425 . 40 ILE CA C 60.7 . 1 426 . 40 ILE HA H 4.29 . 1 427 . 40 ILE CB C 37.9 . 1 428 . 40 ILE HB H 2.19 . 1 429 . 40 ILE HG2 H 0.86 . 1 430 . 40 ILE CG2 C 18.0 . 1 431 . 40 ILE CG1 C 27.0 . 1 432 . 40 ILE HG12 H 1.31 . 2 433 . 40 ILE HG13 H 1.15 . 2 434 . 40 ILE HD1 H 0.87 . 1 435 . 40 ILE CD1 C 14.7 . 1 436 . 40 ILE C C 177.2 . 1 437 . 41 HIS N N 116.8 . 1 438 . 41 HIS H H 8.44 . 1 439 . 41 HIS CA C 56.5 . 1 440 . 41 HIS HA H 4.36 . 1 441 . 41 HIS CB C 25.7 . 1 442 . 41 HIS HB2 H 3.47 . 2 443 . 41 HIS HB3 H 2.71 . 2 444 . 41 HIS CD2 C 121.1 . 1 445 . 41 HIS CE1 C 136.4 . 1 446 . 41 HIS HD2 H 6.96 . 1 447 . 41 HIS HE1 H 8.19 . 1 448 . 41 HIS C C 173.8 . 1 449 . 42 HIS N N 116.9 . 1 450 . 42 HIS H H 8.19 . 1 451 . 42 HIS CA C 56.4 . 1 452 . 42 HIS HA H 4.85 . 1 453 . 42 HIS CB C 31.2 . 1 454 . 42 HIS HB2 H 3.39 . 2 455 . 42 HIS HB3 H 2.91 . 2 456 . 42 HIS CD2 C 117.2 . 1 457 . 42 HIS CE1 C 141.2 . 1 458 . 42 HIS HD2 H 6.94 . 1 459 . 42 HIS HE1 H 7.91 . 1 460 . 43 TRP N N 120.9 . 1 461 . 43 TRP H H 8.81 . 1 462 . 43 TRP CA C 56.0 . 1 463 . 43 TRP HA H 5.48 . 1 464 . 43 TRP CB C 31.6 . 1 465 . 43 TRP HB2 H 2.76 . 2 466 . 43 TRP HB3 H 2.58 . 2 467 . 43 TRP CD1 C 128.8 . 1 468 . 43 TRP CE3 C 121.5 . 1 469 . 43 TRP NE1 N 132.1 . 1 470 . 43 TRP HD1 H 7.31 . 1 471 . 43 TRP HE3 H 6.87 . 1 472 . 43 TRP CZ3 C 120.9 . 1 473 . 43 TRP CZ2 C 115.3 . 1 474 . 43 TRP HE1 H 10.32 . 1 475 . 43 TRP HZ3 H 6.53 . 1 476 . 43 TRP CH2 C 123.2 . 1 477 . 43 TRP HZ2 H 7.14 . 1 478 . 43 TRP HH2 H 6.61 . 1 479 . 44 THR N N 112.7 . 1 480 . 44 THR H H 9.00 . 1 481 . 44 THR CA C 59.8 . 1 482 . 44 THR HA H 5.02 . 1 483 . 44 THR CB C 66.7 . 1 484 . 44 THR HB H 4.66 . 1 485 . 44 THR HG2 H 1.43 . 1 486 . 44 THR CG2 C 21.2 . 1 487 . 45 PRO CD C 51.5 . 1 488 . 45 PRO CA C 62.1 . 1 489 . 45 PRO HA H 4.99 . 1 490 . 45 PRO HD2 H 3.81 . 2 491 . 45 PRO HD3 H 3.55 . 2 492 . 46 PRO CD C 49.1 . 1 493 . 46 PRO CA C 63.0 . 1 494 . 46 PRO HA H 4.40 . 1 495 . 46 PRO CB C 32.4 . 1 496 . 46 PRO HB2 H 1.95 . 1 497 . 46 PRO HB3 H 1.95 . 1 498 . 46 PRO CG C 28.5 . 1 499 . 46 PRO HG2 H 2.26 . 2 500 . 46 PRO HG3 H 1.61 . 2 501 . 46 PRO HD2 H 4.48 . 2 502 . 46 PRO HD3 H 3.31 . 2 503 . 46 PRO C C 175.5 . 1 504 . 47 LYS N N 115.4 . 1 505 . 47 LYS H H 8.01 . 1 506 . 47 LYS CA C 55.8 . 1 507 . 47 LYS HA H 4.87 . 1 508 . 47 LYS CB C 34.2 . 1 509 . 47 LYS HB2 H 1.93 . 2 510 . 47 LYS HB3 H 1.02 . 2 511 . 47 LYS HG2 H 1.34 . 2 512 . 47 LYS HG3 H 1.05 . 2 513 . 47 LYS CD C 32.9 . 1 514 . 47 LYS HD2 H 1.82 . 2 515 . 47 LYS HD3 H 1.49 . 2 516 . 47 LYS CE C 42.4 . 1 517 . 47 LYS HE2 H 3.04 . 2 518 . 47 LYS HE3 H 2.87 . 2 519 . 47 LYS C C 174.9 . 1 520 . 48 GLY N N 107.0 . 1 521 . 48 GLY H H 8.41 . 1 522 . 48 GLY CA C 44.7 . 1 523 . 48 GLY HA2 H 4.53 . 2 524 . 48 GLY HA3 H 3.66 . 2 525 . 49 HIS N N 118.1 . 1 526 . 49 HIS H H 8.50 . 1 527 . 49 HIS CA C 55.9 . 1 528 . 49 HIS HA H 4.70 . 1 529 . 49 HIS CB C 29.8 . 1 530 . 49 HIS HB2 H 3.11 . 1 531 . 49 HIS HB3 H 3.11 . 1 532 . 49 HIS CD2 C 121.8 . 1 533 . 49 HIS CE1 C 138.1 . 1 534 . 49 HIS HD2 H 6.97 . 1 535 . 49 HIS C C 175.1 . 1 536 . 50 VAL N N 122.7 . 1 537 . 50 VAL H H 8.12 . 1 538 . 50 VAL CA C 62.4 . 1 539 . 50 VAL HA H 4.05 . 1 540 . 50 VAL CB C 33.4 . 1 541 . 50 VAL HB H 1.85 . 1 542 . 50 VAL HG1 H 0.97 . 2 543 . 50 VAL HG2 H 0.89 . 2 544 . 50 VAL CG1 C 22.2 . 1 545 . 50 VAL CG2 C 21.5 . 1 546 . 50 VAL C C 176.9 . 1 547 . 51 GLU N N 129.7 . 1 548 . 51 GLU H H 8.28 . 1 549 . 51 GLU CA C 53.8 . 1 550 . 51 GLU HA H 4.64 . 1 551 . 51 GLU CB C 29.2 . 1 552 . 51 GLU HB2 H 1.97 . 2 553 . 51 GLU HB3 H 1.48 . 2 554 . 51 GLU CG C 35.5 . 1 555 . 51 GLU HG2 H 2.26 . 2 556 . 51 GLU HG3 H 2.18 . 2 557 . 51 GLU C C 178.0 . 1 558 . 52 PRO CD C 50.6 . 1 559 . 52 PRO CA C 64.5 . 1 560 . 52 PRO HA H 4.15 . 1 561 . 52 PRO CB C 31.6 . 1 562 . 52 PRO HB2 H 2.19 . 2 563 . 52 PRO HB3 H 1.80 . 2 564 . 52 PRO CG C 28.1 . 1 565 . 52 PRO HG2 H 2.08 . 2 566 . 52 PRO HG3 H 1.90 . 2 567 . 52 PRO HD2 H 3.80 . 2 568 . 52 PRO HD3 H 3.63 . 2 569 . 53 GLY N N 112.9 . 1 570 . 53 GLY H H 8.59 . 1 571 . 53 GLY CA C 45.3 . 1 572 . 53 GLY HA2 H 4.16 . 2 573 . 53 GLY HA3 H 3.56 . 2 574 . 53 GLY C C 174.8 . 1 575 . 54 GLU N N 120.5 . 1 576 . 54 GLU H H 7.87 . 1 577 . 54 GLU CA C 56.1 . 1 578 . 54 GLU HA H 4.30 . 1 579 . 54 GLU CB C 31.2 . 1 580 . 54 GLU HB2 H 2.07 . 2 581 . 54 GLU HB3 H 1.98 . 2 582 . 54 GLU CG C 37.5 . 1 583 . 54 GLU HG2 H 2.18 . 2 584 . 54 GLU HG3 H 2.05 . 2 585 . 54 GLU C C 176.8 . 1 586 . 55 ASP N N 122.8 . 1 587 . 55 ASP H H 8.66 . 1 588 . 55 ASP CA C 53.4 . 1 589 . 55 ASP HA H 4.62 . 1 590 . 55 ASP CB C 43.1 . 1 591 . 55 ASP HB2 H 2.65 . 2 592 . 55 ASP HB3 H 2.54 . 2 593 . 55 ASP C C 176.7 . 1 594 . 56 ASP N N 123.9 . 1 595 . 56 ASP H H 8.41 . 1 596 . 56 ASP CA C 58.3 . 1 597 . 56 ASP HA H 4.40 . 1 598 . 56 ASP CB C 41.8 . 1 599 . 56 ASP HB2 H 3.27 . 2 600 . 56 ASP HB3 H 2.75 . 2 601 . 56 ASP C C 177.5 . 1 602 . 57 LEU N N 120.0 . 1 603 . 57 LEU H H 8.02 . 1 604 . 57 LEU CA C 57.4 . 1 605 . 57 LEU HA H 3.43 . 1 606 . 57 LEU CB C 41.0 . 1 607 . 57 LEU HB2 H 1.31 . 2 608 . 57 LEU HB3 H 0.70 . 2 609 . 57 LEU CG C 26.8 . 1 610 . 57 LEU HG H 0.93 . 1 611 . 57 LEU HD1 H -0.17 . 2 612 . 57 LEU HD2 H 0.23 . 2 613 . 57 LEU CD1 C 21.9 . 1 614 . 57 LEU CD2 C 24.8 . 1 615 . 57 LEU C C 179.2 . 1 616 . 58 GLU N N 118.1 . 1 617 . 58 GLU H H 7.58 . 1 618 . 58 GLU CA C 59.5 . 1 619 . 58 GLU HA H 3.76 . 1 620 . 58 GLU CB C 29.4 . 1 621 . 58 GLU HB2 H 2.20 . 2 622 . 58 GLU HB3 H 2.02 . 2 623 . 58 GLU CG C 36.6 . 1 624 . 58 GLU HG2 H 2.35 . 2 625 . 58 GLU HG3 H 2.14 . 2 626 . 58 GLU C C 180.6 . 1 627 . 59 THR N N 118.3 . 1 628 . 59 THR H H 8.22 . 1 629 . 59 THR CA C 67.8 . 1 630 . 59 THR HA H 3.66 . 1 631 . 59 THR CB C 68.1 . 1 632 . 59 THR HB H 4.20 . 1 633 . 59 THR HG2 H 1.01 . 1 634 . 59 THR CG2 C 22.4 . 1 635 . 59 THR C C 175.6 . 1 636 . 60 ALA N N 123.7 . 1 637 . 60 ALA H H 7.70 . 1 638 . 60 ALA CA C 55.8 . 1 639 . 60 ALA HA H 3.79 . 1 640 . 60 ALA HB H 1.36 . 1 641 . 60 ALA CB C 18.4 . 1 642 . 60 ALA C C 180.9 . 1 643 . 61 LEU N N 119.3 . 1 644 . 61 LEU H H 8.32 . 1 645 . 61 LEU CA C 58.0 . 1 646 . 61 LEU HA H 3.78 . 1 647 . 61 LEU CB C 42.5 . 1 648 . 61 LEU HB2 H 1.78 . 2 649 . 61 LEU HB3 H 1.27 . 2 650 . 61 LEU CG C 27.5 . 1 651 . 61 LEU HG H 1.49 . 1 652 . 61 LEU HD1 H 0.68 . 2 653 . 61 LEU HD2 H 0.69 . 2 654 . 61 LEU CD1 C 25.7 . 1 655 . 61 LEU CD2 C 23.6 . 1 656 . 61 LEU C C 180.0 . 1 657 . 62 ARG N N 124.1 . 1 658 . 62 ARG H H 8.42 . 1 659 . 62 ARG CA C 59.9 . 1 660 . 62 ARG HA H 4.02 . 1 661 . 62 ARG CB C 29.0 . 1 662 . 62 ARG HB2 H 1.92 . 2 663 . 62 ARG HB3 H 1.76 . 2 664 . 62 ARG CG C 26.3 . 1 665 . 62 ARG HG2 H 1.51 . 2 666 . 62 ARG HG3 H 1.52 . 2 667 . 62 ARG CD C 42.4 . 1 668 . 62 ARG HD2 H 3.26 . 2 669 . 62 ARG HD3 H 2.99 . 2 670 . 62 ARG C C 178.8 . 1 671 . 63 ALA N N 120.9 . 1 672 . 63 ALA H H 9.00 . 1 673 . 63 ALA CA C 54.8 . 1 674 . 63 ALA HA H 4.07 . 1 675 . 63 ALA HB H 1.18 . 1 676 . 63 ALA CB C 18.0 . 1 677 . 63 ALA C C 179.9 . 1 678 . 64 THR N N 114.8 . 1 679 . 64 THR H H 7.58 . 1 680 . 64 THR CA C 68.6 . 1 681 . 64 THR HA H 3.60 . 1 682 . 64 THR CB C 68.0 . 1 683 . 64 THR HB H 4.11 . 1 684 . 64 THR HG2 H 1.05 . 1 685 . 64 THR HG1 H 4.00 . 1 686 . 64 THR CG2 C 22.4 . 1 687 . 64 THR C C 176.4 . 1 688 . 65 GLN N N 124.6 . 1 689 . 65 GLN H H 7.78 . 1 690 . 65 GLN CA C 60.2 . 1 691 . 65 GLN HA H 3.77 . 1 692 . 65 GLN CB C 28.0 . 1 693 . 65 GLN HB2 H 2.23 . 1 694 . 65 GLN HB3 H 2.23 . 1 695 . 65 GLN CG C 34.0 . 1 696 . 65 GLN HG2 H 2.12 . 1 697 . 65 GLN HG3 H 2.12 . 1 698 . 65 GLN C C 179.5 . 1 699 . 66 GLU N N 119.0 . 1 700 . 66 GLU H H 8.81 . 1 701 . 66 GLU CA C 59.7 . 1 702 . 66 GLU HA H 3.85 . 1 703 . 66 GLU CB C 30.3 . 1 704 . 66 GLU HB2 H 2.12 . 2 705 . 66 GLU HB3 H 1.99 . 2 706 . 66 GLU CG C 36.9 . 1 707 . 66 GLU HG2 H 2.53 . 2 708 . 66 GLU HG3 H 2.22 . 2 709 . 66 GLU C C 180.1 . 1 710 . 67 GLU N N 114.1 . 1 711 . 67 GLU H H 8.83 . 1 712 . 67 GLU CA C 56.7 . 1 713 . 67 GLU HA H 4.48 . 1 714 . 67 GLU CB C 33.3 . 1 715 . 67 GLU HB2 H 1.89 . 2 716 . 67 GLU HB3 H 1.84 . 2 717 . 67 GLU CG C 37.7 . 1 718 . 67 GLU HG2 H 2.76 . 2 719 . 67 GLU HG3 H 2.57 . 2 720 . 67 GLU C C 177.0 . 1 721 . 68 ALA N N 115.8 . 1 722 . 68 ALA H H 7.70 . 1 723 . 68 ALA CA C 51.0 . 1 724 . 68 ALA HA H 4.59 . 1 725 . 68 ALA HB H 1.15 . 1 726 . 68 ALA CB C 20.5 . 1 727 . 68 ALA C C 177.4 . 1 728 . 69 GLY N N 107.5 . 1 729 . 69 GLY H H 7.55 . 1 730 . 69 GLY CA C 46.3 . 1 731 . 69 GLY HA2 H 3.95 . 1 732 . 69 GLY HA3 H 3.95 . 1 733 . 69 GLY C C 174.2 . 1 734 . 70 ILE N N 119.7 . 1 735 . 70 ILE H H 6.49 . 1 736 . 70 ILE CA C 60.8 . 1 737 . 70 ILE HA H 4.02 . 1 738 . 70 ILE CB C 39.8 . 1 739 . 70 ILE HB H 1.17 . 1 740 . 70 ILE HG2 H 0.72 . 1 741 . 70 ILE CG2 C 18.4 . 1 742 . 70 ILE CG1 C 26.5 . 1 743 . 70 ILE HG12 H 1.35 . 2 744 . 70 ILE HG13 H 0.59 . 2 745 . 70 ILE HD1 H 0.49 . 1 746 . 70 ILE CD1 C 13.5 . 1 747 . 70 ILE C C 175.0 . 1 748 . 71 GLU N N 126.5 . 1 749 . 71 GLU H H 8.72 . 1 750 . 71 GLU CA C 55.7 . 1 751 . 71 GLU HA H 4.11 . 1 752 . 71 GLU CB C 31.4 . 1 753 . 71 GLU HB2 H 2.12 . 2 754 . 71 GLU HB3 H 1.86 . 2 755 . 71 GLU CG C 36.4 . 1 756 . 71 GLU HG2 H 2.22 . 1 757 . 71 GLU HG3 H 2.22 . 1 758 . 71 GLU C C 177.8 . 1 759 . 72 ALA N N 123.8 . 1 760 . 72 ALA H H 8.22 . 1 761 . 72 ALA CA C 55.7 . 1 762 . 72 ALA HA H 3.76 . 1 763 . 72 ALA HB H 1.34 . 1 764 . 72 ALA CB C 18.9 . 1 765 . 72 ALA C C 180.3 . 1 766 . 73 GLY N N 102.0 . 1 767 . 73 GLY H H 8.46 . 1 768 . 73 GLY CA C 45.8 . 1 769 . 73 GLY HA2 H 4.00 . 2 770 . 73 GLY HA3 H 3.71 . 2 771 . 73 GLY C C 175.4 . 1 772 . 74 GLN N N 117.3 . 1 773 . 74 GLN H H 7.91 . 1 774 . 74 GLN CA C 55.5 . 1 775 . 74 GLN HA H 4.26 . 1 776 . 74 GLN CB C 30.5 . 1 777 . 74 GLN HB2 H 2.29 . 2 778 . 74 GLN HB3 H 2.24 . 2 779 . 74 GLN CG C 35.2 . 1 780 . 74 GLN HG2 H 2.24 . 2 781 . 74 GLN HG3 H 2.22 . 2 782 . 74 GLN NE2 N 112.6 . 1 783 . 74 GLN HE21 H 7.64 . 2 784 . 74 GLN HE22 H 6.96 . 2 785 . 74 GLN C C 174.9 . 1 786 . 75 LEU N N 119.8 . 1 787 . 75 LEU H H 7.62 . 1 788 . 75 LEU CA C 53.7 . 1 789 . 75 LEU HA H 5.04 . 1 790 . 75 LEU CB C 46.6 . 1 791 . 75 LEU HB2 H 1.53 . 2 792 . 75 LEU HB3 H 1.01 . 2 793 . 75 LEU CG C 25.7 . 1 794 . 75 LEU HG H 1.44 . 1 795 . 75 LEU HD1 H 0.52 . 2 796 . 75 LEU HD2 H 0.53 . 2 797 . 75 LEU CD1 C 25.7 . 1 798 . 75 LEU CD2 C 25.7 . 1 799 . 75 LEU C C 175.6 . 1 800 . 76 THR N N 117.1 . 1 801 . 76 THR H H 8.68 . 1 802 . 76 THR CA C 61.2 . 1 803 . 76 THR HA H 4.40 . 1 804 . 76 THR CB C 70.7 . 1 805 . 76 THR HB H 3.85 . 1 806 . 76 THR HG2 H 1.10 . 1 807 . 76 THR CG2 C 22.0 . 1 808 . 76 THR C C 174.2 . 1 809 . 77 ILE N N 128.2 . 1 810 . 77 ILE H H 8.88 . 1 811 . 77 ILE CA C 60.7 . 1 812 . 77 ILE HA H 4.26 . 1 813 . 77 ILE CB C 36.6 . 1 814 . 77 ILE HB H 1.86 . 1 815 . 77 ILE HG2 H 0.82 . 1 816 . 77 ILE CG2 C 17.4 . 1 817 . 77 ILE CG1 C 11.6 . 1 818 . 77 ILE HG12 H 1.34 . 2 819 . 77 ILE HG13 H 1.25 . 2 820 . 77 ILE HD1 H 0.61 . 1 821 . 77 ILE CD1 C 11.9 . 1 822 . 77 ILE C C 176.6 . 1 823 . 78 ILE N N 130.8 . 1 824 . 78 ILE H H 8.80 . 1 825 . 78 ILE CA C 58.5 . 1 826 . 78 ILE HA H 4.21 . 1 827 . 78 ILE CB C 35.7 . 1 828 . 78 ILE HB H 2.29 . 1 829 . 78 ILE HG2 H 1.12 . 1 830 . 78 ILE CG2 C 18.0 . 1 831 . 78 ILE CG1 C 27.8 . 1 832 . 78 ILE HG12 H 1.78 . 2 833 . 78 ILE HG13 H 1.50 . 2 834 . 78 ILE HD1 H 0.93 . 1 835 . 78 ILE CD1 C 9.2 . 1 836 . 78 ILE C C 176.4 . 1 837 . 79 GLU N N 128.7 . 1 838 . 79 GLU H H 8.72 . 1 839 . 79 GLU CA C 57.5 . 1 840 . 79 GLU HA H 4.32 . 1 841 . 79 GLU CB C 30.5 . 1 842 . 79 GLU HB2 H 2.03 . 2 843 . 79 GLU HB3 H 2.04 . 2 844 . 79 GLU CG C 36.6 . 1 845 . 79 GLU HG2 H 2.34 . 2 846 . 79 GLU HG3 H 2.27 . 2 847 . 79 GLU C C 177.7 . 1 848 . 80 GLY N N 107.9 . 1 849 . 80 GLY H H 8.55 . 1 850 . 80 GLY CA C 45.7 . 1 851 . 80 GLY HA2 H 4.38 . 2 852 . 80 GLY HA3 H 3.69 . 2 853 . 80 GLY C C 173.2 . 1 854 . 81 PHE N N 118.8 . 1 855 . 81 PHE H H 6.87 . 1 856 . 81 PHE CA C 57.2 . 1 857 . 81 PHE HA H 4.21 . 1 858 . 81 PHE CB C 40.9 . 1 859 . 81 PHE HB2 H 2.54 . 2 860 . 81 PHE HB3 H 1.27 . 2 861 . 81 PHE HD1 H 6.68 . 1 862 . 81 PHE HD2 H 6.68 . 1 863 . 81 PHE HE1 H 6.82 . 1 864 . 81 PHE HE2 H 6.82 . 1 865 . 81 PHE CD1 C 132.8 . 1 866 . 81 PHE CE1 C 130.5 . 1 867 . 81 PHE HZ H 6.94 . 1 868 . 81 PHE C C 173.4 . 1 869 . 82 LYS N N 128.4 . 1 870 . 82 LYS H H 7.25 . 1 871 . 82 LYS CA C 55.7 . 1 872 . 82 LYS HA H 4.23 . 1 873 . 82 LYS CB C 34.7 . 1 874 . 82 LYS HB2 H 1.09 . 1 875 . 82 LYS HB3 H 1.09 . 1 876 . 82 LYS CG C 23.6 . 1 877 . 82 LYS HG2 H 0.37 . 2 878 . 82 LYS HG3 H 0.15 . 2 879 . 82 LYS CD C 29.4 . 1 880 . 82 LYS HD2 H 1.17 . 1 881 . 82 LYS HD3 H 1.17 . 1 882 . 82 LYS CE C 41.6 . 1 883 . 82 LYS HE2 H 2.48 . 2 884 . 82 LYS HE3 H 2.38 . 2 885 . 82 LYS C C 174.9 . 1 886 . 83 ARG N N 125.9 . 1 887 . 83 ARG H H 8.61 . 1 888 . 83 ARG CA C 53.6 . 1 889 . 83 ARG HA H 4.38 . 1 890 . 83 ARG CB C 35.1 . 1 891 . 83 ARG HB2 H 1.56 . 2 892 . 83 ARG HB3 H 1.33 . 2 893 . 83 ARG CG C 28.3 . 1 894 . 83 ARG HG2 H 1.16 . 2 895 . 83 ARG HG3 H 0.95 . 2 896 . 83 ARG CD C 42.5 . 1 897 . 83 ARG HD2 H 3.22 . 2 898 . 83 ARG HD3 H 3.03 . 2 899 . 83 ARG C C 173.2 . 1 900 . 84 GLU N N 124.2 . 1 901 . 84 GLU H H 8.50 . 1 902 . 84 GLU CA C 54.5 . 1 903 . 84 GLU HA H 5.01 . 1 904 . 84 GLU CB C 31.8 . 1 905 . 84 GLU HB2 H 1.68 . 2 906 . 84 GLU HB3 H 1.66 . 2 907 . 84 GLU CG C 37.0 . 1 908 . 84 GLU HG2 H 1.85 . 2 909 . 84 GLU HG3 H 1.72 . 2 910 . 84 GLU C C 175.6 . 1 911 . 85 LEU N N 129.0 . 1 912 . 85 LEU H H 9.88 . 1 913 . 85 LEU CA C 54.8 . 1 914 . 85 LEU HA H 4.75 . 1 915 . 85 LEU CB C 45.0 . 1 916 . 85 LEU HB2 H 1.69 . 2 917 . 85 LEU HB3 H 1.68 . 2 918 . 85 LEU CG C 30.0 . 1 919 . 85 LEU HG H 1.81 . 1 920 . 85 LEU HD1 H 0.94 . 2 921 . 85 LEU HD2 H 0.95 . 2 922 . 85 LEU CD1 C 26.9 . 1 923 . 85 LEU CD2 C 25.5 . 1 924 . 85 LEU C C 175.4 . 1 925 . 86 ASN N N 118.9 . 1 926 . 86 ASN H H 8.64 . 1 927 . 86 ASN CA C 52.7 . 1 928 . 86 ASN HA H 5.52 . 1 929 . 86 ASN CB C 42.6 . 1 930 . 86 ASN HB2 H 2.46 . 1 931 . 86 ASN HB3 H 2.46 . 1 932 . 86 ASN ND2 N 116.1 . 1 933 . 86 ASN HD21 H 7.52 . 2 934 . 86 ASN HD22 H 7.42 . 2 935 . 86 ASN C C 173.7 . 1 936 . 87 TYR N N 118.8 . 1 937 . 87 TYR H H 8.29 . 1 938 . 87 TYR CA C 55.8 . 1 939 . 87 TYR HA H 4.60 . 1 940 . 87 TYR CB C 38.7 . 1 941 . 87 TYR HB2 H 2.73 . 2 942 . 87 TYR HB3 H 2.32 . 2 943 . 87 TYR HD1 H 5.84 . 1 944 . 87 TYR HD2 H 5.84 . 1 945 . 87 TYR HE1 H 5.92 . 1 946 . 87 TYR HE2 H 5.92 . 1 947 . 87 TYR CD1 C 132.9 . 1 948 . 87 TYR CE1 C 116.4 . 1 949 . 87 TYR C C 172.6 . 1 950 . 88 VAL N N 120.2 . 1 951 . 88 VAL H H 8.30 . 1 952 . 88 VAL CA C 62.2 . 1 953 . 88 VAL HA H 4.08 . 1 954 . 88 VAL CB C 32.0 . 1 955 . 88 VAL HB H 1.79 . 1 956 . 88 VAL HG1 H 0.70 . 2 957 . 88 VAL HG2 H 0.57 . 2 958 . 88 VAL CG1 C 21.5 . 1 959 . 88 VAL CG2 C 21.2 . 1 960 . 88 VAL C C 174.6 . 1 961 . 89 ALA N N 107.9 . 1 962 . 89 ALA H H 8.67 . 1 963 . 89 ALA CA C 50.1 . 1 964 . 89 ALA HA H 4.59 . 1 965 . 89 ALA HB H 1.07 . 1 966 . 89 ALA CB C 21.9 . 1 967 . 89 ALA C C 176.6 . 1 968 . 90 ARG N N 124.0 . 1 969 . 90 ARG H H 9.42 . 1 970 . 90 ARG CA C 57.4 . 1 971 . 90 ARG HA H 3.72 . 1 972 . 90 ARG CB C 28.4 . 1 973 . 90 ARG HB2 H 1.47 . 2 974 . 90 ARG HB3 H 1.32 . 2 975 . 90 ARG CG C 27.1 . 1 976 . 90 ARG HG2 H 1.87 . 2 977 . 90 ARG HG3 H 1.71 . 2 978 . 90 ARG CD C 43.4 . 1 979 . 90 ARG HD2 H 3.19 . 2 980 . 90 ARG HD3 H 3.03 . 2 981 . 90 ARG C C 175.9 . 1 982 . 91 ASN N N 109.2 . 1 983 . 91 ASN H H 8.51 . 1 984 . 91 ASN CA C 54.8 . 1 985 . 91 ASN HA H 3.96 . 1 986 . 91 ASN CB C 38.2 . 1 987 . 91 ASN HB2 H 2.91 . 2 988 . 91 ASN HB3 H 2.90 . 2 989 . 91 ASN ND2 N 112.7 . 1 990 . 91 ASN HD21 H 7.40 . 2 991 . 91 ASN HD22 H 6.78 . 2 992 . 91 ASN C C 174.2 . 1 993 . 92 LYS N N 120.9 . 1 994 . 92 LYS H H 7.70 . 1 995 . 92 LYS CA C 53.2 . 1 996 . 92 LYS HA H 4.78 . 1 997 . 92 LYS CB C 34.4 . 1 998 . 92 LYS HB2 H 1.66 . 1 999 . 92 LYS HB3 H 1.66 . 1 1000 . 92 LYS CG C 24.7 . 1 1001 . 92 LYS HG2 H 1.38 . 2 1002 . 92 LYS HG3 H 1.31 . 2 1003 . 92 LYS CE C 42.6 . 1 1004 . 92 LYS HE2 H 2.90 . 1 1005 . 92 LYS HE3 H 2.90 . 1 1006 . 93 PRO CA C 63.6 . 1 1007 . 93 PRO HA H 4.20 . 1 1008 . 93 PRO CB C 31.9 . 1 1009 . 93 PRO HB2 H 2.07 . 2 1010 . 93 PRO HB3 H 1.72 . 2 1011 . 93 PRO CG C 27.8 . 1 1012 . 93 PRO HG2 H 1.97 . 2 1013 . 93 PRO HG3 H 1.81 . 2 1014 . 93 PRO HD2 H 3.74 . 2 1015 . 93 PRO HD3 H 3.57 . 2 1016 . 93 PRO C C 175.3 . 1 1017 . 94 LYS N N 125.7 . 1 1018 . 94 LYS H H 8.67 . 1 1019 . 94 LYS CA C 55.1 . 1 1020 . 94 LYS HA H 4.68 . 1 1021 . 94 LYS CB C 34.5 . 1 1022 . 94 LYS HB2 H 1.06 . 1 1023 . 94 LYS HB3 H 1.06 . 1 1024 . 94 LYS CE C 41.4 . 1 1025 . 94 LYS HE2 H 2.26 . 2 1026 . 94 LYS HE3 H 2.17 . 2 1027 . 94 LYS C C 174.1 . 1 1028 . 95 THR N N 123.0 . 1 1029 . 95 THR H H 8.13 . 1 1030 . 95 THR CA C 60.9 . 1 1031 . 95 THR HA H 4.90 . 1 1032 . 95 THR CB C 67.9 . 1 1033 . 95 THR HB H 3.53 . 1 1034 . 95 THR HG2 H 0.95 . 1 1035 . 95 THR CG2 C 21.9 . 1 1036 . 95 THR C C 173.0 . 1 1037 . 96 VAL N N 125.8 . 1 1038 . 96 VAL H H 8.91 . 1 1039 . 96 VAL CA C 59.5 . 1 1040 . 96 VAL HA H 4.84 . 1 1041 . 96 VAL CB C 34.7 . 1 1042 . 96 VAL HB H 1.58 . 1 1043 . 96 VAL HG1 H 0.09 . 2 1044 . 96 VAL HG2 H 0.56 . 2 1045 . 96 VAL CG1 C 21.8 . 1 1046 . 96 VAL CG2 C 22.1 . 1 1047 . 96 VAL C C 174.0 . 1 1048 . 97 ILE N N 127.2 . 1 1049 . 97 ILE H H 8.17 . 1 1050 . 97 ILE CA C 59.4 . 1 1051 . 97 ILE HA H 4.54 . 1 1052 . 97 ILE CB C 39.0 . 1 1053 . 97 ILE HB H 1.72 . 1 1054 . 97 ILE HG2 H -0.03 . 1 1055 . 97 ILE CG2 C 18.8 . 1 1056 . 97 ILE CG1 C 28.5 . 1 1057 . 97 ILE HG12 H 1.16 . 2 1058 . 97 ILE HG13 H 0.93 . 2 1059 . 97 ILE HD1 H 0.55 . 1 1060 . 97 ILE CD1 C 13.3 . 1 1061 . 98 TYR N N 122.1 . 1 1062 . 98 TYR H H 8.61 . 1 1063 . 98 TYR CA C 57.4 . 1 1064 . 98 TYR HA H 5.39 . 1 1065 . 98 TYR CB C 43.3 . 1 1066 . 98 TYR HB2 H 2.97 . 2 1067 . 98 TYR HB3 H 2.34 . 2 1068 . 98 TYR HD1 H 6.71 . 1 1069 . 98 TYR HD2 H 6.71 . 1 1070 . 98 TYR HE1 H 6.51 . 1 1071 . 98 TYR HE2 H 6.51 . 1 1072 . 98 TYR CD1 C 132.6 . 1 1073 . 98 TYR CE1 C 118.1 . 1 1074 . 99 TRP N N 121.1 . 1 1075 . 99 TRP H H 7.75 . 1 1076 . 99 TRP CA C 58.4 . 1 1077 . 99 TRP HA H 4.95 . 1 1078 . 99 TRP CB C 32.3 . 1 1079 . 99 TRP HB2 H 3.67 . 2 1080 . 99 TRP HB3 H 2.92 . 2 1081 . 99 TRP CD1 C 127.5 . 1 1082 . 99 TRP CE3 C 122.1 . 1 1083 . 99 TRP NE1 N 126.6 . 1 1084 . 99 TRP HD1 H 7.50 . 1 1085 . 99 TRP HE3 H 7.76 . 1 1086 . 99 TRP CZ2 C 113.4 . 1 1087 . 99 TRP HE1 H 9.79 . 1 1088 . 99 TRP HZ3 H 6.72 . 1 1089 . 99 TRP CH2 C 123.6 . 1 1090 . 99 TRP HZ2 H 7.31 . 1 1091 . 99 TRP HH2 H 7.01 . 1 1092 . 99 TRP C C 175.4 . 1 1093 . 100 LEU N N 123.1 . 1 1094 . 100 LEU H H 10.23 . 1 1095 . 100 LEU CA C 54.8 . 1 1096 . 100 LEU HA H 5.26 . 1 1097 . 100 LEU CB C 45.6 . 1 1098 . 100 LEU HB2 H 1.80 . 2 1099 . 100 LEU HB3 H 1.64 . 2 1100 . 100 LEU CG C 27.1 . 1 1101 . 100 LEU HG H 1.47 . 1 1102 . 100 LEU HD1 H 0.39 . 2 1103 . 100 LEU HD2 H 0.58 . 2 1104 . 100 LEU CD1 C 25.6 . 1 1105 . 100 LEU CD2 C 24.0 . 1 1106 . 100 LEU C C 176.5 . 1 1107 . 101 ALA N N 123.0 . 1 1108 . 101 ALA H H 8.95 . 1 1109 . 101 ALA CA C 51.3 . 1 1110 . 101 ALA HA H 5.28 . 1 1111 . 101 ALA HB H 1.18 . 1 1112 . 101 ALA CB C 25.4 . 1 1113 . 101 ALA C C 173.1 . 1 1114 . 102 GLU N N 123.8 . 1 1115 . 102 GLU H H 8.59 . 1 1116 . 102 GLU CA C 53.7 . 1 1117 . 102 GLU HA H 3.56 . 1 1118 . 102 GLU CB C 32.6 . 1 1119 . 102 GLU HB2 H 1.51 . 1 1120 . 102 GLU HB3 H 1.51 . 1 1121 . 102 GLU CG C 35.9 . 1 1122 . 102 GLU HG2 H 1.97 . 2 1123 . 102 GLU HG3 H 1.31 . 2 1124 . 102 GLU C C 178.5 . 1 1125 . 103 VAL N N 119.9 . 1 1126 . 103 VAL H H 7.99 . 1 1127 . 103 VAL CA C 61.1 . 1 1128 . 103 VAL HA H 4.51 . 1 1129 . 103 VAL CB C 31.8 . 1 1130 . 103 VAL HB H 2.15 . 1 1131 . 103 VAL HG1 H 0.93 . 2 1132 . 103 VAL HG2 H 0.82 . 2 1133 . 103 VAL CG1 C 23.3 . 1 1134 . 103 VAL CG2 C 20.4 . 1 1135 . 103 VAL C C 176.1 . 1 1136 . 104 LYS N N 124.0 . 1 1137 . 104 LYS H H 8.00 . 1 1138 . 104 LYS CA C 58.5 . 1 1139 . 104 LYS HA H 3.89 . 1 1140 . 104 LYS CB C 33.1 . 1 1141 . 104 LYS HB2 H 1.70 . 2 1142 . 104 LYS HB3 H 1.48 . 2 1143 . 104 LYS CG C 29.3 . 1 1144 . 104 LYS HG2 H 1.51 . 1 1145 . 104 LYS HG3 H 1.51 . 1 1146 . 104 LYS CD C 26.2 . 1 1147 . 104 LYS HD2 H 1.24 . 2 1148 . 104 LYS HD3 H 1.08 . 2 1149 . 104 LYS CE C 42.2 . 1 1150 . 104 LYS HE2 H 2.68 . 1 1151 . 104 LYS HE3 H 2.68 . 1 1152 . 104 LYS C C 176.7 . 1 1153 . 105 ASP N N 118.8 . 1 1154 . 105 ASP H H 8.20 . 1 1155 . 105 ASP CA C 52.3 . 1 1156 . 105 ASP HA H 4.68 . 1 1157 . 105 ASP CB C 42.1 . 1 1158 . 105 ASP HB2 H 2.62 . 2 1159 . 105 ASP HB3 H 2.33 . 2 1160 . 105 ASP C C 174.9 . 1 1161 . 106 TYR N N 126.3 . 1 1162 . 106 TYR H H 8.43 . 1 1163 . 106 TYR CA C 61.7 . 1 1164 . 106 TYR HA H 3.37 . 1 1165 . 106 TYR CB C 39.9 . 1 1166 . 106 TYR HB2 H 2.98 . 2 1167 . 106 TYR HB3 H 2.66 . 2 1168 . 106 TYR HD1 H 6.79 . 1 1169 . 106 TYR HD2 H 6.79 . 1 1170 . 106 TYR HE1 H 6.44 . 1 1171 . 106 TYR HE2 H 6.44 . 1 1172 . 106 TYR CD1 C 133.9 . 1 1173 . 106 TYR CE1 C 118.3 . 1 1174 . 106 TYR C C 175.5 . 1 1175 . 107 ASP N N 113.8 . 1 1176 . 107 ASP H H 7.95 . 1 1177 . 107 ASP CA C 53.2 . 1 1178 . 107 ASP HA H 4.54 . 1 1179 . 107 ASP CB C 40.9 . 1 1180 . 107 ASP HB2 H 2.78 . 2 1181 . 107 ASP HB3 H 2.38 . 2 1182 . 107 ASP C C 175.7 . 1 1183 . 108 VAL N N 121.3 . 1 1184 . 108 VAL H H 7.23 . 1 1185 . 108 VAL CA C 62.1 . 1 1186 . 108 VAL HA H 3.75 . 1 1187 . 108 VAL CB C 31.5 . 1 1188 . 108 VAL HB H 2.48 . 1 1189 . 108 VAL HG1 H 0.92 . 2 1190 . 108 VAL HG2 H 0.93 . 2 1191 . 108 VAL CG1 C 19.6 . 1 1192 . 108 VAL CG2 C 22.5 . 1 1193 . 108 VAL C C 173.6 . 1 1194 . 109 GLU N N 127.5 . 1 1195 . 109 GLU H H 8.28 . 1 1196 . 109 GLU CA C 56.4 . 1 1197 . 109 GLU HA H 4.08 . 1 1198 . 109 GLU CB C 30.3 . 1 1199 . 109 GLU HB2 H 1.84 . 1 1200 . 109 GLU HB3 H 1.84 . 1 1201 . 109 GLU CG C 36.5 . 1 1202 . 109 GLU HG2 H 2.20 . 2 1203 . 109 GLU HG3 H 1.95 . 2 1204 . 109 GLU C C 175.2 . 1 1205 . 110 ILE N N 126.8 . 1 1206 . 110 ILE H H 8.01 . 1 1207 . 110 ILE CA C 58.0 . 1 1208 . 110 ILE HA H 4.17 . 1 1209 . 110 ILE CB C 36.1 . 1 1210 . 110 ILE HB H 0.84 . 1 1211 . 110 ILE HG2 H 0.02 . 1 1212 . 110 ILE CG2 C 17.1 . 1 1213 . 110 ILE CG1 C 26.8 . 1 1214 . 110 ILE HG12 H 1.27 . 2 1215 . 110 ILE HG13 H 0.57 . 2 1216 . 110 ILE HD1 H 0.42 . 1 1217 . 110 ILE CD1 C 11.6 . 1 1218 . 110 ILE C C 176.0 . 1 1219 . 111 ARG N N 128.5 . 1 1220 . 111 ARG H H 7.63 . 1 1221 . 111 ARG CA C 54.6 . 1 1222 . 111 ARG HA H 4.37 . 1 1223 . 111 ARG CB C 32.1 . 1 1224 . 111 ARG HB2 H 1.55 . 2 1225 . 111 ARG HB3 H 1.44 . 2 1226 . 111 ARG CG C 27.1 . 1 1227 . 111 ARG HG2 H 1.47 . 2 1228 . 111 ARG HG3 H 1.38 . 2 1229 . 111 ARG CD C 43.6 . 1 1230 . 111 ARG HD2 H 3.15 . 2 1231 . 111 ARG HD3 H 3.07 . 2 1232 . 111 ARG C C 174.7 . 1 1233 . 112 LEU N N 123.3 . 1 1234 . 112 LEU H H 8.35 . 1 1235 . 112 LEU CA C 54.3 . 1 1236 . 112 LEU HA H 4.58 . 1 1237 . 112 LEU CB C 43.1 . 1 1238 . 112 LEU HB2 H 1.65 . 1 1239 . 112 LEU HB3 H 1.65 . 1 1240 . 112 LEU CG C 26.8 . 1 1241 . 112 LEU HG H 1.67 . 1 1242 . 112 LEU HD1 H 0.71 . 2 1243 . 112 LEU HD2 H 0.72 . 2 1244 . 112 LEU CD1 C 25.6 . 1 1245 . 112 LEU CD2 C 23.8 . 1 1246 . 113 SER N N 119.0 . 1 1247 . 113 SER H H 8.73 . 1 1248 . 113 SER CA C 57.0 . 1 1249 . 113 SER HA H 4.77 . 1 1250 . 113 SER CB C 66.4 . 1 1251 . 113 SER HB2 H 4.26 . 2 1252 . 113 SER HB3 H 4.14 . 2 1253 . 113 SER C C 175.1 . 1 1254 . 114 HIS N N 114.8 . 1 1255 . 114 HIS H H 8.56 . 1 1256 . 114 HIS CA C 57.9 . 1 1257 . 114 HIS HA H 4.36 . 1 1258 . 114 HIS CB C 28.9 . 1 1259 . 114 HIS HB2 H 3.19 . 2 1260 . 114 HIS HB3 H 3.13 . 2 1261 . 114 HIS CD2 C 119.9 . 1 1262 . 114 HIS CE1 C 137.9 . 1 1263 . 114 HIS HD2 H 7.18 . 1 1264 . 114 HIS HE1 H 8.16 . 1 1265 . 114 HIS C C 176.4 . 1 1266 . 115 GLU N N 118.3 . 1 1267 . 115 GLU H H 7.74 . 1 1268 . 115 GLU CA C 57.8 . 1 1269 . 115 GLU HA H 3.79 . 1 1270 . 115 GLU CB C 30.0 . 1 1271 . 115 GLU HB2 H 1.50 . 1 1272 . 115 GLU HB3 H 1.50 . 1 1273 . 115 GLU CG C 36.2 . 1 1274 . 115 GLU HG2 H 1.90 . 2 1275 . 115 GLU HG3 H 1.85 . 2 1276 . 115 GLU C C 176.3 . 1 1277 . 116 HIS N N 116.6 . 1 1278 . 116 HIS H H 7.69 . 1 1279 . 116 HIS CA C 57.0 . 1 1280 . 116 HIS HA H 5.16 . 1 1281 . 116 HIS CB C 33.6 . 1 1282 . 116 HIS HB2 H 3.02 . 2 1283 . 116 HIS HB3 H 2.91 . 2 1284 . 116 HIS CD2 C 117.9 . 1 1285 . 116 HIS CE1 C 137.2 . 1 1286 . 116 HIS HD2 H 6.22 . 1 1287 . 116 HIS HE1 H 7.58 . 1 1288 . 116 HIS C C 173.1 . 1 1289 . 117 GLN N N 112.9 . 1 1290 . 117 GLN H H 8.55 . 1 1291 . 117 GLN CA C 53.8 . 1 1292 . 117 GLN HA H 4.64 . 1 1293 . 117 GLN HB2 H 1.73 . 2 1294 . 117 GLN HB3 H 1.60 . 2 1295 . 117 GLN HG2 H 1.99 . 2 1296 . 117 GLN HG3 H 1.77 . 2 1297 . 117 GLN C C 174.9 . 1 1298 . 118 ALA N N 121.8 . 1 1299 . 118 ALA H H 7.45 . 1 1300 . 118 ALA CA C 51.7 . 1 1301 . 118 ALA HA H 4.47 . 1 1302 . 118 ALA HB H 1.33 . 1 1303 . 118 ALA CB C 22.4 . 1 1304 . 118 ALA C C 175.0 . 1 1305 . 119 TYR N N 115.8 . 1 1306 . 119 TYR H H 8.30 . 1 1307 . 119 TYR CA C 56.2 . 1 1308 . 119 TYR HA H 5.80 . 1 1309 . 119 TYR CB C 42.3 . 1 1310 . 119 TYR HB2 H 2.74 . 2 1311 . 119 TYR HB3 H 2.66 . 2 1312 . 119 TYR HD1 H 6.51 . 1 1313 . 119 TYR HD2 H 6.51 . 1 1314 . 119 TYR HE1 H 6.82 . 1 1315 . 119 TYR HE2 H 6.82 . 1 1316 . 119 TYR CD1 C 133.3 . 1 1317 . 119 TYR CE1 C 118.8 . 1 1318 . 119 TYR C C 173.5 . 1 1319 . 120 ARG N N 119.7 . 1 1320 . 120 ARG H H 8.97 . 1 1321 . 120 ARG CA C 55.6 . 1 1322 . 120 ARG HA H 4.32 . 1 1323 . 120 ARG CB C 36.2 . 1 1324 . 120 ARG HB2 H 1.55 . 2 1325 . 120 ARG HB3 H 1.13 . 2 1326 . 120 ARG CG C 28.2 . 1 1327 . 120 ARG HG2 H 1.55 . 1 1328 . 120 ARG HG3 H 1.55 . 1 1329 . 120 ARG CD C 43.4 . 1 1330 . 120 ARG HD2 H 2.87 . 2 1331 . 120 ARG HD3 H 2.68 . 2 1332 . 120 ARG C C 173.8 . 1 1333 . 121 TRP N N 122.1 . 1 1334 . 121 TRP H H 8.40 . 1 1335 . 121 TRP CA C 55.9 . 1 1336 . 121 TRP HA H 5.24 . 1 1337 . 121 TRP CB C 30.8 . 1 1338 . 121 TRP HB2 H 2.86 . 1 1339 . 121 TRP HB3 H 2.86 . 1 1340 . 121 TRP CD1 C 128.8 . 1 1341 . 121 TRP CE3 C 120.3 . 1 1342 . 121 TRP NE1 N 128.6 . 1 1343 . 121 TRP HD1 H 7.26 . 1 1344 . 121 TRP HE3 H 6.97 . 1 1345 . 121 TRP CZ3 C 122.1 . 1 1346 . 121 TRP CZ2 C 114.1 . 1 1347 . 121 TRP HE1 H 9.75 . 1 1348 . 121 TRP HZ3 H 6.69 . 1 1349 . 121 TRP CH2 C 122.5 . 1 1350 . 121 TRP HZ2 H 7.01 . 1 1351 . 121 TRP HH2 H 6.61 . 1 1352 . 121 TRP C C 177.7 . 1 1353 . 122 LEU N N 124.7 . 1 1354 . 122 LEU H H 9.40 . 1 1355 . 122 LEU CA C 53.9 . 1 1356 . 122 LEU HA H 4.84 . 1 1357 . 122 LEU CB C 47.6 . 1 1358 . 122 LEU HB2 H 1.54 . 1 1359 . 122 LEU HB3 H 1.54 . 1 1360 . 122 LEU CG C 29.9 . 1 1361 . 122 LEU HG H 1.22 . 1 1362 . 122 LEU HD1 H 0.41 . 2 1363 . 122 LEU HD2 H 0.57 . 2 1364 . 122 LEU CD1 C 28.0 . 1 1365 . 122 LEU CD2 C 24.3 . 1 1366 . 122 LEU C C 177.0 . 1 1367 . 123 GLY N N 109.3 . 1 1368 . 123 GLY H H 9.00 . 1 1369 . 123 GLY CA C 44.7 . 1 1370 . 123 GLY HA2 H 4.49 . 2 1371 . 123 GLY HA3 H 3.89 . 2 1372 . 123 GLY C C 173.1 . 1 1373 . 124 LEU N N 118.5 . 1 1374 . 124 LEU H H 8.94 . 1 1375 . 124 LEU CA C 59.5 . 1 1376 . 124 LEU HA H 3.84 . 1 1377 . 124 LEU CB C 41.7 . 1 1378 . 124 LEU HB2 H 1.49 . 2 1379 . 124 LEU HB3 H 1.21 . 2 1380 . 124 LEU HD1 H 0.44 . 2 1381 . 124 LEU HD2 H 0.37 . 2 1382 . 124 LEU CD1 C 23.9 . 1 1383 . 124 LEU CD2 C 25.0 . 1 1384 . 124 LEU C C 178.1 . 1 1385 . 125 GLU N N 117.2 . 1 1386 . 125 GLU H H 8.71 . 1 1387 . 125 GLU CA C 60.4 . 1 1388 . 125 GLU HA H 3.77 . 1 1389 . 125 GLU CB C 28.9 . 1 1390 . 125 GLU HB2 H 1.91 . 2 1391 . 125 GLU HB3 H 1.86 . 2 1392 . 125 GLU CG C 36.2 . 1 1393 . 125 GLU HG2 H 2.14 . 1 1394 . 125 GLU HG3 H 2.14 . 1 1395 . 125 GLU C C 179.9 . 1 1396 . 126 GLU N N 120.7 . 1 1397 . 126 GLU H H 8.37 . 1 1398 . 126 GLU CA C 59.5 . 1 1399 . 126 GLU HA H 3.82 . 1 1400 . 126 GLU CB C 29.9 . 1 1401 . 126 GLU HB2 H 1.89 . 2 1402 . 126 GLU HB3 H 1.79 . 2 1403 . 126 GLU CG C 37.5 . 1 1404 . 126 GLU HG2 H 2.18 . 2 1405 . 126 GLU HG3 H 2.15 . 2 1406 . 126 GLU C C 178.8 . 1 1407 . 127 ALA N N 122.0 . 1 1408 . 127 ALA H H 9.18 . 1 1409 . 127 ALA CA C 55.1 . 1 1410 . 127 ALA HA H 3.63 . 1 1411 . 127 ALA HB H 1.28 . 1 1412 . 127 ALA CB C 17.8 . 1 1413 . 127 ALA C C 179.4 . 1 1414 . 128 CYS N N 114.4 . 1 1415 . 128 CYS H H 8.33 . 1 1416 . 128 CYS CA C 65.1 . 1 1417 . 128 CYS HA H 3.65 . 1 1418 . 128 CYS CB C 27.0 . 1 1419 . 128 CYS HB2 H 3.04 . 2 1420 . 128 CYS HB3 H 2.38 . 2 1421 . 128 CYS C C 176.3 . 1 1422 . 129 GLN N N 118.1 . 1 1423 . 129 GLN H H 7.49 . 1 1424 . 129 GLN CA C 58.5 . 1 1425 . 129 GLN HA H 3.74 . 1 1426 . 129 GLN CB C 28.1 . 1 1427 . 129 GLN HB2 H 1.96 . 2 1428 . 129 GLN CG C 33.5 . 1 1429 . 129 GLN HG2 H 2.30 . 2 1430 . 129 GLN HG3 H 2.23 . 2 1431 . 129 GLN NE2 N 111.7 . 1 1432 . 129 GLN HE21 H 7.38 . 2 1433 . 129 GLN HE22 H 6.66 . 2 1434 . 129 GLN C C 179.2 . 1 1435 . 130 LEU N N 118.4 . 1 1436 . 130 LEU H H 7.61 . 1 1437 . 130 LEU CA C 56.8 . 1 1438 . 130 LEU HA H 3.76 . 1 1439 . 130 LEU CB C 41.0 . 1 1440 . 130 LEU HB2 H 0.92 . 2 1441 . 130 LEU HB3 H 0.55 . 2 1442 . 130 LEU CG C 26.6 . 1 1443 . 130 LEU HG H 0.91 . 1 1444 . 130 LEU HD1 H -0.26 . 2 1445 . 130 LEU HD2 H -0.16 . 2 1446 . 130 LEU CD1 C 24.1 . 1 1447 . 130 LEU CD2 C 22.9 . 1 1448 . 130 LEU C C 178.8 . 1 1449 . 131 ALA N N 120.4 . 1 1450 . 131 ALA H H 8.28 . 1 1451 . 131 ALA CA C 54.8 . 1 1452 . 131 ALA HA H 4.17 . 1 1453 . 131 ALA HB H 1.22 . 1 1454 . 131 ALA CB C 18.5 . 1 1455 . 131 ALA C C 181.2 . 1 1456 . 132 GLN N N 110.6 . 1 1457 . 132 GLN H H 7.31 . 1 1458 . 132 GLN CA C 62.0 . 1 1459 . 132 GLN HA H 3.51 . 1 1460 . 132 GLN CB C 28.5 . 1 1461 . 132 GLN HB2 H 1.68 . 1 1462 . 132 GLN HB3 H 1.68 . 1 1463 . 132 GLN CG C 33.8 . 1 1464 . 132 GLN HG2 H 1.87 . 2 1465 . 132 GLN HG3 H 1.61 . 2 1466 . 132 GLN NE2 N 111.2 . 1 1467 . 132 GLN HE21 H 7.20 . 2 1468 . 132 GLN HE22 H 6.42 . 2 1469 . 132 GLN C C 175.7 . 1 1470 . 133 PHE N N 124.5 . 1 1471 . 133 PHE H H 9.21 . 1 1472 . 133 PHE CA C 58.6 . 1 1473 . 133 PHE HA H 4.30 . 1 1474 . 133 PHE CB C 40.6 . 1 1475 . 133 PHE HB2 H 3.31 . 2 1476 . 133 PHE HB3 H 2.38 . 2 1477 . 133 PHE HD1 H 6.93 . 1 1478 . 133 PHE HD2 H 6.93 . 1 1479 . 133 PHE HE1 H 6.59 . 1 1480 . 133 PHE HE2 H 6.59 . 1 1481 . 133 PHE CD1 C 131.5 . 1 1482 . 133 PHE CE1 C 129.9 . 1 1483 . 133 PHE C C 178.4 . 1 1484 . 134 LYS N N 125.9 . 1 1485 . 134 LYS H H 9.28 . 1 1486 . 134 LYS CA C 60.6 . 1 1487 . 134 LYS HA H 3.79 . 1 1488 . 134 LYS CB C 32.9 . 1 1489 . 134 LYS HB2 H 2.01 . 2 1490 . 134 LYS HB3 H 1.86 . 2 1491 . 134 LYS CG C 24.6 . 1 1492 . 134 LYS HG2 H 1.46 . 1 1493 . 134 LYS HG3 H 1.46 . 1 1494 . 134 LYS CD C 29.5 . 1 1495 . 134 LYS HD2 H 1.71 . 1 1496 . 134 LYS HD3 H 1.71 . 1 1497 . 134 LYS CE C 42.0 . 1 1498 . 134 LYS HE2 H 2.99 . 1 1499 . 134 LYS HE3 H 2.99 . 1 1500 . 134 LYS C C 179.0 . 1 1501 . 135 GLU N N 117.5 . 1 1502 . 135 GLU H H 9.68 . 1 1503 . 135 GLU CA C 60.0 . 1 1504 . 135 GLU HA H 4.25 . 1 1505 . 135 GLU CB C 29.7 . 1 1506 . 135 GLU HB2 H 2.17 . 2 1507 . 135 GLU HB3 H 2.08 . 2 1508 . 135 GLU CG C 37.4 . 1 1509 . 135 GLU HG2 H 2.61 . 2 1510 . 135 GLU HG3 H 2.54 . 2 1511 . 135 GLU C C 179.0 . 1 1512 . 136 MET N N 118.1 . 1 1513 . 136 MET H H 7.08 . 1 1514 . 136 MET CA C 56.0 . 1 1515 . 136 MET HA H 4.63 . 1 1516 . 136 MET CB C 37.7 . 1 1517 . 136 MET HB2 H 1.99 . 1 1518 . 136 MET HB3 H 1.99 . 1 1519 . 136 MET CG C 32.2 . 1 1520 . 136 MET HG2 H 3.44 . 2 1521 . 136 MET HG3 H 1.95 . 2 1522 . 136 MET HE H 1.65 . 1 1523 . 136 MET CE C 19.3 . 1 1524 . 136 MET C C 177.8 . 1 1525 . 137 LYS N N 117.8 . 1 1526 . 137 LYS H H 8.04 . 1 1527 . 137 LYS CA C 60.6 . 1 1528 . 137 LYS HA H 3.79 . 1 1529 . 137 LYS CB C 32.5 . 1 1530 . 137 LYS HB2 H 1.78 . 2 1531 . 137 LYS HB3 H 1.63 . 2 1532 . 137 LYS CG C 25.6 . 1 1533 . 137 LYS HG2 H 1.39 . 2 1534 . 137 LYS HG3 H 1.25 . 2 1535 . 137 LYS CD C 30.2 . 1 1536 . 137 LYS HD3 H 1.42 . 2 1537 . 137 LYS CE C 41.4 . 1 1538 . 137 LYS HE2 H 2.67 . 1 1539 . 137 LYS HE3 H 2.67 . 1 1540 . 137 LYS C C 178.2 . 1 1541 . 138 ALA N N 118.4 . 1 1542 . 138 ALA H H 7.84 . 1 1543 . 138 ALA CA C 55.1 . 1 1544 . 138 ALA HA H 4.05 . 1 1545 . 138 ALA HB H 1.41 . 1 1546 . 138 ALA CB C 18.1 . 1 1547 . 138 ALA C C 179.1 . 1 1548 . 139 ALA N N 119.1 . 1 1549 . 139 ALA H H 7.43 . 1 1550 . 139 ALA CA C 56.0 . 1 1551 . 139 ALA HA H 3.92 . 1 1552 . 139 ALA HB H 1.33 . 1 1553 . 139 ALA CB C 18.1 . 1 1554 . 139 ALA C C 179.6 . 1 1555 . 140 LEU N N 116.1 . 1 1556 . 140 LEU H H 7.66 . 1 1557 . 140 LEU CA C 58.1 . 1 1558 . 140 LEU HA H 3.41 . 1 1559 . 140 LEU CB C 41.5 . 1 1560 . 140 LEU HB2 H 1.75 . 2 1561 . 140 LEU HB3 H 0.38 . 2 1562 . 140 LEU CG C 26.4 . 1 1563 . 140 LEU HG H 1.44 . 1 1564 . 140 LEU HD1 H 0.36 . 2 1565 . 140 LEU HD2 H -0.09 . 2 1566 . 140 LEU CD1 C 26.0 . 1 1567 . 140 LEU CD2 C 21.9 . 1 1568 . 140 LEU C C 178.7 . 1 1569 . 141 GLN N N 117.9 . 1 1570 . 141 GLN H H 8.28 . 1 1571 . 141 GLN CA C 59.7 . 1 1572 . 141 GLN HA H 3.72 . 1 1573 . 141 GLN CB C 28.1 . 1 1574 . 141 GLN HB2 H 2.16 . 2 1575 . 141 GLN HB3 H 2.04 . 2 1576 . 141 GLN CG C 34.4 . 1 1577 . 141 GLN HG2 H 2.50 . 2 1578 . 141 GLN HG3 H 2.23 . 2 1579 . 141 GLN NE2 N 111.0 . 1 1580 . 141 GLN HE21 H 6.95 . 2 1581 . 141 GLN HE22 H 6.77 . 2 1582 . 141 GLN C C 179.7 . 1 1583 . 142 GLU N N 120.0 . 1 1584 . 142 GLU H H 9.01 . 1 1585 . 142 GLU CA C 59.3 . 1 1586 . 142 GLU HA H 4.04 . 1 1587 . 142 GLU CB C 29.2 . 1 1588 . 142 GLU HB2 H 2.18 . 1 1589 . 142 GLU HB3 H 2.18 . 1 1590 . 142 GLU CG C 37.0 . 1 1591 . 142 GLU HG2 H 2.62 . 2 1592 . 142 GLU HG3 H 2.36 . 2 1593 . 142 GLU C C 180.7 . 1 1594 . 143 GLY N N 111.3 . 1 1595 . 143 GLY H H 8.80 . 1 1596 . 143 GLY CA C 47.4 . 1 1597 . 143 GLY HA2 H 2.93 . 1 1598 . 143 GLY HA3 H 2.93 . 1 1599 . 143 GLY C C 174.0 . 1 1600 . 144 HIS N N 121.8 . 1 1601 . 144 HIS H H 8.70 . 1 1602 . 144 HIS CA C 62.5 . 1 1603 . 144 HIS HA H 3.81 . 1 1604 . 144 HIS CB C 31.4 . 1 1605 . 144 HIS HB2 H 3.23 . 1 1606 . 144 HIS HB3 H 3.23 . 1 1607 . 144 HIS CD2 C 120.4 . 1 1608 . 144 HIS CE1 C 139.9 . 1 1609 . 144 HIS HD2 H 6.88 . 1 1610 . 144 HIS C C 177.4 . 1 1611 . 145 GLN N N 118.2 . 1 1612 . 145 GLN H H 8.37 . 1 1613 . 145 GLN CA C 59.1 . 1 1614 . 145 GLN HA H 3.90 . 1 1615 . 145 GLN CB C 28.3 . 1 1616 . 145 GLN HB2 H 2.23 . 2 1617 . 145 GLN HB3 H 2.12 . 2 1618 . 145 GLN CG C 33.8 . 1 1619 . 145 GLN HG2 H 2.49 . 2 1620 . 145 GLN HG3 H 2.40 . 2 1621 . 145 GLN C C 179.0 . 1 1622 . 146 PHE N N 121.5 . 1 1623 . 146 PHE H H 8.24 . 1 1624 . 146 PHE CA C 61.7 . 1 1625 . 146 PHE HA H 4.02 . 1 1626 . 146 PHE CB C 39.4 . 1 1627 . 146 PHE HB2 H 3.18 . 2 1628 . 146 PHE HB3 H 2.92 . 2 1629 . 146 PHE HD1 H 6.95 . 1 1630 . 146 PHE HD2 H 6.95 . 1 1631 . 146 PHE HE1 H 7.12 . 1 1632 . 146 PHE HE2 H 7.12 . 1 1633 . 146 PHE CD1 C 131.8 . 1 1634 . 146 PHE CE1 C 132.0 . 1 1635 . 146 PHE CZ C 130.9 . 1 1636 . 146 PHE HZ H 7.43 . 1 1637 . 146 PHE C C 178.7 . 1 1638 . 147 LEU N N 119.1 . 1 1639 . 147 LEU H H 8.02 . 1 1640 . 147 LEU CA C 57.1 . 1 1641 . 147 LEU HA H 3.71 . 1 1642 . 147 LEU CB C 42.1 . 1 1643 . 147 LEU HB2 H 1.61 . 2 1644 . 147 LEU HB3 H 0.89 . 2 1645 . 147 LEU CG C 26.0 . 1 1646 . 147 LEU HG H 1.64 . 1 1647 . 147 LEU HD1 H -0.31 . 2 1648 . 147 LEU HD2 H 0.55 . 2 1649 . 147 LEU CD1 C 23.8 . 1 1650 . 147 LEU CD2 C 23.5 . 1 1651 . 147 LEU C C 179.9 . 1 1652 . 148 CYS N N 115.8 . 1 1653 . 148 CYS H H 7.73 . 1 1654 . 148 CYS CA C 62.0 . 1 1655 . 148 CYS HA H 4.07 . 1 1656 . 148 CYS CB C 27.3 . 1 1657 . 148 CYS HB2 H 2.72 . 1 1658 . 148 CYS HB3 H 2.72 . 1 1659 . 148 CYS C C 175.6 . 1 1660 . 149 SER N N 115.2 . 1 1661 . 149 SER H H 7.60 . 1 1662 . 149 SER CA C 59.3 . 1 1663 . 149 SER HA H 4.26 . 1 1664 . 149 SER CB C 63.9 . 1 1665 . 149 SER HB2 H 3.77 . 1 1666 . 149 SER HB3 H 3.77 . 1 1667 . 149 SER C C 174.5 . 1 1668 . 150 ILE N N 120.2 . 1 1669 . 150 ILE H H 7.13 . 1 1670 . 150 ILE CA C 61.8 . 1 1671 . 150 ILE HA H 3.94 . 1 1672 . 150 ILE CB C 38.6 . 1 1673 . 150 ILE HB H 1.69 . 1 1674 . 150 ILE HG2 H 0.65 . 1 1675 . 150 ILE CG2 C 17.3 . 1 1676 . 150 ILE CG1 C 26.8 . 1 1677 . 150 ILE HG12 H 1.25 . 2 1678 . 150 ILE HG13 H 0.90 . 2 1679 . 150 ILE HD1 H 0.69 . 1 1680 . 150 ILE CD1 C 13.8 . 1 1681 . 150 ILE C C 176.3 . 1 1682 . 151 GLU N N 124.8 . 1 1683 . 151 GLU H H 7.96 . 1 1684 . 151 GLU CA C 56.4 . 1 1685 . 151 GLU HA H 4.16 . 1 1686 . 151 GLU CB C 36.1 . 1 1687 . 151 GLU HB2 H 2.19 . 2 1688 . 151 GLU HB3 H 2.13 . 2 1689 . 151 GLU CG C 30.4 . 1 1690 . 151 GLU HG2 H 1.96 . 2 1691 . 151 GLU HG3 H 1.80 . 2 1692 . 151 GLU C C 175.2 . 1 1693 . 152 ALA N N 131.3 . 1 1694 . 152 ALA H H 7.83 . 1 1695 . 152 ALA CA C 53.9 . 1 1696 . 152 ALA HA H 4.01 . 1 1697 . 152 ALA HB H 1.25 . 1 1698 . 152 ALA CB C 20.2 . 1 1699 . 152 ALA C C 176.3 . 1 1700 . 153 LEU N N 125.0 . 1 1701 . 153 LEU H H 8.00 . 1 1702 . 153 LEU CA C 56.5 . 1 1703 . 153 LEU HA H 4.53 . 1 1704 . 153 LEU CB C 40.4 . 1 1705 . 153 LEU HB2 H 1.59 . 1 1706 . 153 LEU HB3 H 1.59 . 1 1707 . 153 LEU HD1 H 0.74 . 2 1708 . 153 LEU CD1 C 17.0 . 1 stop_ save_