data_15048 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Rub184 ; _BMRB_accession_number 15048 _BMRB_flat_file_name bmr15048.str _Entry_type original _Submission_date 2006-11-21 _Accession_date 2006-11-21 _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 Berghaus Carsten . . 2 Schwarten Melanie . . 3 Heumann Rolf . . 4 Stoll Raphael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 715 "13C chemical shifts" 528 "15N chemical shifts" 167 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-25 update BMRB 'update entity name' 2009-08-31 update BMRB 'add PubMed ID; rearrange citation save frames' 2009-07-14 update BMRB 'completed entry citation' 2007-11-21 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Sequence-specific 1H, 13C, and 15N backbone assignment of the GTPase rRheb in its GDP-bound form' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636822 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Berghaus Carsten . . 2 Schwarten Melanie . . 3 Heumann Rolf . . 4 Stoll Raphael . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 1 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 45 _Page_last 47 _Year 2007 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_reference_citation _Saveframe_category citation _Citation_full . _Citation_title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 8520220 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Delaglio F. . . 2 Grzesiek S. . . 3 Vuister G. W. . 4 Zhu G. . . 5 Pfeifer J. . . 6 Bax A. . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full . _Journal_volume 6 _Journal_issue 3 _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 277 _Page_last 293 _Year 1995 _Details . loop_ _Keyword 'GTP binding protein' 'signal pathway' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Rub184GDP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Rub184 $GTP-binding_protein nucleotide $GDP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_GTP-binding_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Rub184 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 184 _Mol_residue_sequence ; SPQSKSRKIAILGYRSVGKS SLTIQFVEGQFVDSYDPTIE NTFTKLITVNGQEYHLQLVD TAGQDEYSIFPQTYSIDING YILVYSVTSIKSFEVIKVIH GKLLDMVGKVQIPIMLVGNK KDLHMERVISYEEGKALAES WNAAFLESSAKENQTAVDVF RRIILEAEKIDGAASQGKSS CSVM ; loop_ _Residue_seq_code _Residue_label 1 SER 2 PRO 3 GLN 4 SER 5 LYS 6 SER 7 ARG 8 LYS 9 ILE 10 ALA 11 ILE 12 LEU 13 GLY 14 TYR 15 ARG 16 SER 17 VAL 18 GLY 19 LYS 20 SER 21 SER 22 LEU 23 THR 24 ILE 25 GLN 26 PHE 27 VAL 28 GLU 29 GLY 30 GLN 31 PHE 32 VAL 33 ASP 34 SER 35 TYR 36 ASP 37 PRO 38 THR 39 ILE 40 GLU 41 ASN 42 THR 43 PHE 44 THR 45 LYS 46 LEU 47 ILE 48 THR 49 VAL 50 ASN 51 GLY 52 GLN 53 GLU 54 TYR 55 HIS 56 LEU 57 GLN 58 LEU 59 VAL 60 ASP 61 THR 62 ALA 63 GLY 64 GLN 65 ASP 66 GLU 67 TYR 68 SER 69 ILE 70 PHE 71 PRO 72 GLN 73 THR 74 TYR 75 SER 76 ILE 77 ASP 78 ILE 79 ASN 80 GLY 81 TYR 82 ILE 83 LEU 84 VAL 85 TYR 86 SER 87 VAL 88 THR 89 SER 90 ILE 91 LYS 92 SER 93 PHE 94 GLU 95 VAL 96 ILE 97 LYS 98 VAL 99 ILE 100 HIS 101 GLY 102 LYS 103 LEU 104 LEU 105 ASP 106 MET 107 VAL 108 GLY 109 LYS 110 VAL 111 GLN 112 ILE 113 PRO 114 ILE 115 MET 116 LEU 117 VAL 118 GLY 119 ASN 120 LYS 121 LYS 122 ASP 123 LEU 124 HIS 125 MET 126 GLU 127 ARG 128 VAL 129 ILE 130 SER 131 TYR 132 GLU 133 GLU 134 GLY 135 LYS 136 ALA 137 LEU 138 ALA 139 GLU 140 SER 141 TRP 142 ASN 143 ALA 144 ALA 145 PHE 146 LEU 147 GLU 148 SER 149 SER 150 ALA 151 LYS 152 GLU 153 ASN 154 GLN 155 THR 156 ALA 157 VAL 158 ASP 159 VAL 160 PHE 161 ARG 162 ARG 163 ILE 164 ILE 165 LEU 166 GLU 167 ALA 168 GLU 169 LYS 170 ILE 171 ASP 172 GLY 173 ALA 174 ALA 175 SER 176 GLN 177 GLY 178 LYS 179 SER 180 SER 181 CYS 182 SER 183 VAL 184 MET stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 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 15202 Rub184_GppNHp 100.00 184 100.00 100.00 2.41e-130 PDB 1XTQ "Structure Of Small Gtpase Human Rheb In Complex With Gdp" 92.39 177 98.82 100.00 2.58e-118 PDB 1XTR "Structure Of Small Gtpase Human Rheb In Complex With Gppnhp" 92.39 177 98.82 100.00 2.58e-118 PDB 1XTS "Structure Of Small Gtpase Human Rheb In Complex With Gtp" 92.39 177 98.82 100.00 2.58e-118 PDB 2L0X "Solution Structure Of The 21 Kda Gtpase Rheb Bound To Gdp" 91.85 169 100.00 100.00 3.03e-118 PDB 3SEA "Structure Of Rheb-Y35a Mutant In Gdp- And Gmppnp-Bound Forms" 90.76 167 99.40 99.40 1.50e-115 PDB 3T5G "Structure Of Fully Modified Farnesylated Rheb In Complex With Pde6d" 97.28 181 98.88 99.44 6.70e-125 PDB 4O25 "Structure Of Wild Type Mus Musculus Rheb Bound To Gtp" 91.30 171 99.40 100.00 3.30e-117 PDB 4O2L "Structure Of Mus Musculus Rheb G63a Mutant Bound To Gtp" 91.30 171 98.81 99.40 1.81e-116 PDB 4O2R "Structure Of Mus Musculus Rheb G63v Mutant Bound To Gdp" 91.30 171 98.81 99.40 9.44e-116 DBJ BAA11211 "ras-related GTP-binding protein [Homo sapiens]" 99.46 184 98.91 99.45 4.16e-128 DBJ BAB13483 "Ras homolog [Mus musculus]" 99.46 184 98.91 99.45 5.47e-128 DBJ BAE30208 "unnamed protein product [Mus musculus]" 99.46 184 99.45 100.00 3.51e-129 DBJ BAF82059 "unnamed protein product [Homo sapiens]" 99.46 184 98.91 100.00 1.29e-128 DBJ BAG54198 "unnamed protein product [Homo sapiens]" 99.46 184 99.45 100.00 1.97e-129 EMBL CAA82774 "Ras-related GTP-binding protein [Homo sapiens]" 99.46 184 99.45 100.00 1.97e-129 GB AAA21380 "Ras-related protein [Rattus norvegicus]" 99.46 184 100.00 100.00 9.16e-130 GB AAD15548 "unknown [Homo sapiens]" 99.46 184 99.45 100.00 1.97e-129 GB AAF73125 "ras-related GTP-binding protein [Homo sapiens]" 99.46 184 99.45 100.00 1.97e-129 GB AAH12273 "RAS-homolog enriched in brain [Mus musculus]" 99.46 184 99.45 100.00 3.51e-129 GB AAH16155 "Ras homolog enriched in brain [Homo sapiens]" 99.46 184 99.45 100.00 1.97e-129 REF NP_001026934 "GTP-binding protein Rheb precursor [Bos taurus]" 99.46 184 99.45 100.00 4.42e-129 REF NP_001155338 "GTP-binding protein Rheb [Ovis aries]" 99.46 184 100.00 100.00 9.16e-130 REF NP_001232539 "GTP-binding protein Rheb [Taeniopygia guttata]" 99.46 184 98.91 99.45 4.64e-128 REF NP_001248111 "GTP-binding protein Rheb [Macaca mulatta]" 99.46 184 99.45 100.00 1.97e-129 REF NP_001272585 "GTP-binding protein Rheb [Capra hircus]" 99.46 184 98.36 98.91 1.58e-127 SP Q15382 "RecName: Full=GTP-binding protein Rheb; AltName: Full=Ras homolog enriched in brain; Flags: Precursor" 99.46 184 99.45 100.00 1.97e-129 SP Q56JV3 "RecName: Full=GTP-binding protein Rheb; AltName: Full=Ras homolog enriched in brain; Flags: Precursor" 99.46 184 99.45 100.00 4.42e-129 SP Q62639 "RecName: Full=GTP-binding protein Rheb; AltName: Full=Ras homolog enriched in brain; Flags: Precursor" 99.46 184 100.00 100.00 9.16e-130 SP Q921J2 "RecName: Full=GTP-binding protein Rheb; AltName: Full=Ras homolog enriched in brain; Flags: Precursor" 99.46 184 99.45 100.00 3.51e-129 TPG DAA25358 "TPA: GTP-binding protein Rheb-like [Bos taurus]" 99.46 184 98.36 98.91 1.88e-127 TPG DAA30304 "TPA: GTP-binding protein Rheb precursor [Bos taurus]" 99.46 184 100.00 100.00 9.16e-130 stop_ save_ ############# # Ligands # ############# save_GDP _Saveframe_category ligand _Mol_type "non-polymer (RNA LINKING)" _Name_common "GDP (GUANOSINE-5'-DIPHOSPHATE)" _BMRB_code . _PDB_code GDP _Molecular_mass 443.201 _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 Tue Oct 4 21:09:33 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons PB PB P . 0 . ? O1B O1B O . 0 . ? O2B O2B O . 0 . ? O3B O3B O . 0 . ? O3A O3A O . 0 . ? PA PA P . 0 . ? O1A O1A O . 0 . ? O2A O2A 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 . ? O6 O6 O . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? N2 N2 N . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? HOB2 HOB2 H . 0 . ? HOB3 HOB3 H . 0 . ? HOA2 HOA2 H . 0 . ? H5' H5' H . 0 . ? H5'' H5'' 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 . ? HN1 HN1 H . 0 . ? HN21 HN21 H . 0 . ? HN22 HN22 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 PB O1B ? ? SING PB O2B ? ? SING PB O3B ? ? SING PB O3A ? ? SING O2B HOB2 ? ? SING O3B HOB3 ? ? SING O3A PA ? ? DOUB PA O1A ? ? SING PA O2A ? ? SING PA O5' ? ? SING O2A HOA2 ? ? SING O5' C5' ? ? SING C5' C4' ? ? SING C5' H5' ? ? SING C5' H5'' ? ? 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 ? ? DOUB C6 O6 ? ? SING C6 N1 ? ? SING N1 C2 ? ? SING N1 HN1 ? ? SING C2 N2 ? ? DOUB C2 N3 ? ? SING N2 HN21 ? ? SING N2 HN22 ? ? 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 $GTP-binding_protein Rat 10116 Eukaryota Metazoa Rattus norvegicus 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 $GTP-binding_protein 'recombinant technology' . Escherichia coli . pQE-30 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Rub184_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $GTP-binding_protein . mM 0.9 1.2 [U-15N] D2O 10 % . . . 'potassium phosphate' 20 mM . . . H2O 90 % . . . DTT 1 mM . . . $GDP . mM 0.9 1.2 . 'sodium chloride' 10 mM . . . TSP 1 mM . . . 'magnesium chloride' 5 mM . . . stop_ save_ save_Rub184_15N13C _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $GTP-binding_protein . mM 0.9 1.2 '[U-13C; U-15N]' $GDP . mM 0.9 1.2 . D2O 10 % . . . H2O 90 % . . . DTT 1 mM . . . 'sodium chloride' 10 mM . . . 'potassium phosphate' 20 mM . . . TSP 1 mM . . . 'magnesium chloride' 5 mM . . . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'F Delaglio, S Grzesiek, GW Vuister, G Zhu, J Pfeifer and A Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'F Delaglio, S Grzesiek, GW Vuister, G Zhu, J Pfeifer and A Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'B Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $Rub184_15N save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $Rub184_15N13C save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $Rub184_15N13C save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $Rub184_15N13C save_ save_3D_HNHA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $Rub184_15N save_ save_3D_HNHB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $Rub184_15N save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $Rub184_15N13C save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $Rub184_15N save_ ####################### # Sample conditions # ####################### save_Rub184_15N_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 8 . pH pressure 1 . atm temperature 298 . K 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 TSP C 13 'methyl carbons' ppm 0 internal direct . . . 1 TSP H 1 'methyl protons' ppm 0 internal direct . . . 1 TSP N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HN(CO)CA' stop_ loop_ _Sample_label $Rub184_15N $Rub184_15N13C stop_ _Sample_conditions_label $Rub184_15N_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name Rub184 _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 5 5 LYS HA H 4.510 . 1 2 5 5 LYS HB2 H 1.471 . 2 3 5 5 LYS HB3 H 1.610 . 2 4 5 5 LYS HG2 H 1.351 . 2 5 5 5 LYS C C 175.335 . 1 6 5 5 LYS CA C 55.323 . 1 7 5 5 LYS CB C 34.047 . 1 8 6 6 SER H H 8.714 . 1 9 6 6 SER HA H 5.607 . 1 10 6 6 SER HB2 H 3.861 . 2 11 6 6 SER HB3 H 3.892 . 2 12 6 6 SER C C 175.231 . 1 13 6 6 SER CA C 57.201 . 1 14 6 6 SER CB C 63.639 . 1 15 6 6 SER N N 120.138 . 1 16 7 7 ARG H H 8.684 . 1 17 7 7 ARG HA H 4.869 . 1 18 7 7 ARG HB2 H 1.380 . 2 19 7 7 ARG HB3 H 1.756 . 2 20 7 7 ARG C C 172.880 . 1 21 7 7 ARG CA C 53.116 . 1 22 7 7 ARG CB C 34.361 . 1 23 7 7 ARG N N 125.546 . 1 24 8 8 LYS H H 9.332 . 1 25 8 8 LYS HA H 5.493 . 1 26 8 8 LYS HB2 H 1.670 . 2 27 8 8 LYS HB3 H 2.146 . 2 28 8 8 LYS C C 174.149 . 1 29 8 8 LYS CA C 54.628 . 1 30 8 8 LYS CB C 33.512 . 1 31 8 8 LYS N N 126.758 . 1 32 9 9 ILE H H 9.150 . 1 33 9 9 ILE HA H 4.763 . 1 34 9 9 ILE HB H 1.950 . 1 35 9 9 ILE HD1 H 0.546 . 1 36 9 9 ILE HG12 H 1.144 . 1 37 9 9 ILE HG13 H 1.243 . 1 38 9 9 ILE HG2 H 0.799 . 1 39 9 9 ILE C C 173.899 . 1 40 9 9 ILE CA C 56.512 . 1 41 9 9 ILE CB C 39.962 . 1 42 9 9 ILE N N 129.026 . 1 43 10 10 ALA H H 7.822 . 1 44 10 10 ALA HA H 5.144 . 1 45 10 10 ALA HB H 1.278 . 1 46 10 10 ALA C C 174.524 . 1 47 10 10 ALA CA C 50.438 . 1 48 10 10 ALA CB C 19.938 . 1 49 10 10 ALA N N 128.138 . 1 50 11 11 ILE H H 8.913 . 1 51 11 11 ILE HA H 4.992 . 1 52 11 11 ILE HB H 2.248 . 1 53 11 11 ILE HG12 H 1.220 . 1 54 11 11 ILE HG13 H 1.220 . 1 55 11 11 ILE HG2 H 0.920 . 1 56 11 11 ILE C C 174.149 . 1 57 11 11 ILE CA C 61.283 . 1 58 11 11 ILE CB C 38.208 . 1 59 11 11 ILE N N 124.253 . 1 60 12 12 LEU H H 9.505 . 1 61 12 12 LEU HA H 4.833 . 1 62 12 12 LEU HB2 H 1.727 . 2 63 12 12 LEU HB3 H 1.757 . 2 64 12 12 LEU C C 175.065 . 1 65 12 12 LEU CA C 53.299 . 1 66 12 12 LEU CB C 45.098 . 1 67 12 12 LEU N N 128.185 . 1 68 13 13 GLY H H 9.288 . 1 69 13 13 GLY HA2 H 1.906 . 2 70 13 13 GLY HA3 H 3.899 . 2 71 13 13 GLY C C 172.463 . 1 72 13 13 GLY CA C 44.728 . 1 73 13 13 GLY N N 106.543 . 1 74 14 14 TYR H H 9.407 . 1 75 14 14 TYR HA H 5.294 . 1 76 14 14 TYR HB2 H 2.834 . 2 77 14 14 TYR HB3 H 3.193 . 2 78 14 14 TYR HD1 H 7.445 . 3 79 14 14 TYR C C 173.837 . 1 80 14 14 TYR CA C 56.693 . 1 81 14 14 TYR CB C 39.297 . 1 82 14 14 TYR N N 122.936 . 1 83 15 15 ARG H H 6.673 . 1 84 15 15 ARG HA H 4.232 . 1 85 15 15 ARG HB2 H 1.490 . 2 86 15 15 ARG HB3 H 1.538 . 2 87 15 15 ARG C C 175.997 . 1 88 15 15 ARG CA C 56.999 . 1 89 15 15 ARG CB C 29.641 . 1 90 15 15 ARG N N 125.464 . 1 91 16 16 SER H H 9.922 . 1 92 16 16 SER HA H 4.457 . 1 93 16 16 SER HB2 H 4.089 . 2 94 16 16 SER HB3 H 4.213 . 2 95 16 16 SER C C 174.128 . 1 96 16 16 SER CA C 59.715 . 1 97 16 16 SER CB C 62.254 . 1 98 16 16 SER N N 118.716 . 1 99 17 17 VAL H H 7.709 . 1 100 17 17 VAL HA H 4.086 . 1 101 17 17 VAL HB H 2.133 . 1 102 17 17 VAL HG1 H 1.083 . 2 103 17 17 VAL HG2 H 1.362 . 2 104 17 17 VAL C C 173.879 . 1 105 17 17 VAL CA C 62.447 . 1 106 17 17 VAL CB C 31.460 . 1 107 17 17 VAL CG1 C 17.568 . 1 108 17 17 VAL CG2 C 22.960 . 1 109 17 17 VAL N N 113.706 . 1 110 18 18 GLY H H 8.564 . 1 111 18 18 GLY HA2 H 4.535 . 2 112 18 18 GLY HA3 H 4.661 . 2 113 18 18 GLY C C 173.691 . 1 114 18 18 GLY CA C 45.555 . 1 115 18 18 GLY N N 109.140 . 1 116 19 19 LYS H H 10.395 . 1 117 19 19 LYS HA H 3.614 . 1 118 19 19 LYS HB2 H 1.845 . 2 119 19 19 LYS HB3 H 2.456 . 2 120 19 19 LYS C C 179.290 . 1 121 19 19 LYS CA C 60.820 . 1 122 19 19 LYS CB C 29.298 . 1 123 19 19 LYS N N 125.893 . 1 124 20 20 SER H H 9.380 . 1 125 20 20 SER HA H 4.119 . 1 126 20 20 SER HB2 H 3.428 . 2 127 20 20 SER C C 175.544 . 1 128 20 20 SER CA C 61.052 . 1 129 20 20 SER N N 120.577 . 1 130 21 21 SER H H 9.154 . 1 131 21 21 SER HA H 3.504 . 1 132 21 21 SER HB2 H 3.876 . 2 133 21 21 SER C C 177.375 . 1 134 21 21 SER CA C 62.170 . 1 135 21 21 SER N N 119.901 . 1 136 22 22 LEU H H 9.162 . 1 137 22 22 LEU HA H 3.952 . 1 138 22 22 LEU HB2 H 1.696 . 2 139 22 22 LEU HB3 H 1.928 . 2 140 22 22 LEU HD1 H 0.740 . 2 141 22 22 LEU C C 176.668 . 1 142 22 22 LEU CA C 58.581 . 1 143 22 22 LEU CB C 42.712 . 1 144 22 22 LEU N N 126.004 . 1 145 23 23 THR H H 7.699 . 1 146 23 23 THR HA H 3.596 . 1 147 23 23 THR HB H 3.921 . 1 148 23 23 THR HG2 H 0.623 . 1 149 23 23 THR C C 175.710 . 1 150 23 23 THR CA C 68.064 . 1 151 23 23 THR CB C 67.007 . 1 152 23 23 THR CG2 C 22.047 . 1 153 23 23 THR N N 117.617 . 1 154 24 24 ILE H H 8.901 . 1 155 24 24 ILE HA H 3.064 . 1 156 24 24 ILE HB H 1.663 . 1 157 24 24 ILE HD1 H 0.090 . 1 158 24 24 ILE C C 177.767 . 1 159 24 24 ILE CA C 65.294 . 1 160 24 24 ILE CD1 C 12.489 . 1 161 24 24 ILE N N 122.739 . 1 162 25 25 GLN H H 7.960 . 1 163 25 25 GLN HA H 4.167 . 1 164 25 25 GLN C C 177.334 . 1 165 25 25 GLN CA C 58.452 . 1 166 25 25 GLN CB C 30.769 . 1 167 25 25 GLN N N 122.614 . 1 168 26 26 PHE H H 7.684 . 1 169 26 26 PHE HA H 4.306 . 1 170 26 26 PHE HB2 H 2.893 . 2 171 26 26 PHE HB3 H 3.077 . 2 172 26 26 PHE C C 176.251 . 1 173 26 26 PHE CA C 59.382 . 1 174 26 26 PHE CB C 39.544 . 1 175 26 26 PHE N N 117.844 . 1 176 27 27 VAL H H 8.829 . 1 177 27 27 VAL HA H 2.907 . 1 178 27 27 VAL HB H 1.647 . 1 179 27 27 VAL HG1 H 0.691 . 2 180 27 27 VAL HG2 H 0.984 . 2 181 27 27 VAL C C 176.730 . 1 182 27 27 VAL CA C 66.374 . 1 183 27 27 VAL CB C 32.180 . 1 184 27 27 VAL CG1 C 22.893 . 1 185 27 27 VAL N N 117.751 . 1 186 28 28 GLU H H 9.000 . 1 187 28 28 GLU HA H 4.500 . 1 188 28 28 GLU HB2 H 1.878 . 2 189 28 28 GLU HB3 H 2.156 . 2 190 28 28 GLU C C 177.438 . 1 191 28 28 GLU CA C 55.368 . 1 192 28 28 GLU CB C 31.102 . 1 193 28 28 GLU N N 116.744 . 1 194 29 29 GLY H H 7.744 . 1 195 29 29 GLY HA2 H 3.913 . 2 196 29 29 GLY HA3 H 4.207 . 2 197 29 29 GLY C C 173.483 . 1 198 29 29 GLY CA C 46.208 . 1 199 29 29 GLY N N 110.353 . 1 200 30 30 GLN H H 6.623 . 1 201 30 30 GLN HA H 4.750 . 1 202 30 30 GLN HB2 H 1.910 . 2 203 30 30 GLN HB3 H 2.076 . 2 204 30 30 GLN HE21 H 7.408 . 2 205 30 30 GLN HE22 H 6.750 . 2 206 30 30 GLN HG2 H 1.691 . 2 207 30 30 GLN C C 173.171 . 1 208 30 30 GLN CA C 52.658 . 1 209 30 30 GLN CB C 31.642 . 1 210 30 30 GLN N N 113.749 . 1 211 30 30 GLN NE2 N 112.371 . 1 212 31 31 PHE H H 8.679 . 1 213 31 31 PHE HA H 5.094 . 1 214 31 31 PHE HB2 H 2.771 . 2 215 31 31 PHE HB3 H 2.895 . 2 216 31 31 PHE HD1 H 6.924 . 3 217 31 31 PHE C C 174.357 . 1 218 31 31 PHE CA C 55.362 . 1 219 31 31 PHE CB C 39.169 . 1 220 31 31 PHE N N 123.857 . 1 221 32 32 VAL H H 7.796 . 1 222 32 32 VAL HA H 4.360 . 1 223 32 32 VAL HB H 1.954 . 1 224 32 32 VAL HG1 H 0.768 . 2 225 32 32 VAL C C 172.382 . 1 226 32 32 VAL CA C 59.610 . 1 227 32 32 VAL CB C 32.655 . 1 228 32 32 VAL N N 126.365 . 1 229 33 33 ASP H H 8.124 . 1 230 33 33 ASP HA H 4.281 . 1 231 33 33 ASP HB2 H 2.550 . 2 232 33 33 ASP HB3 H 2.610 . 2 233 33 33 ASP C C 176.314 . 1 234 33 33 ASP CA C 54.668 . 1 235 33 33 ASP CB C 41.450 . 1 236 33 33 ASP N N 122.451 . 1 237 34 34 SER H H 7.683 . 1 238 34 34 SER HA H 4.438 . 1 239 34 34 SER HB2 H 3.757 . 2 240 34 34 SER HB3 H 3.757 . 2 241 34 34 SER C C 172.547 . 1 242 34 34 SER CA C 57.019 . 1 243 34 34 SER CB C 63.174 . 1 244 34 34 SER N N 113.479 . 1 245 35 35 TYR H H 8.582 . 1 246 35 35 TYR HA H 3.860 . 1 247 35 35 TYR HB2 H 2.733 . 2 248 35 35 TYR HB3 H 2.733 . 2 249 35 35 TYR C C 175.044 . 1 250 35 35 TYR CA C 58.476 . 1 251 35 35 TYR CB C 39.272 . 1 252 35 35 TYR N N 127.130 . 1 253 36 36 ASP H H 7.929 . 1 254 36 36 ASP HA H 4.585 . 1 255 36 36 ASP CA C 52.415 . 1 256 36 36 ASP N N 130.714 . 1 257 37 37 PRO HA H 5.037 . 1 258 37 37 PRO HB2 H 2.005 . 2 259 37 37 PRO HB3 H 2.609 . 2 260 37 37 PRO HD2 H 3.782 . 2 261 37 37 PRO HD3 H 3.876 . 2 262 37 37 PRO C C 177.875 . 1 263 37 37 PRO CA C 63.382 . 1 264 37 37 PRO CB C 32.547 . 1 265 38 38 THR H H 8.961 . 1 266 38 38 THR HA H 4.449 . 1 267 38 38 THR HB H 4.347 . 1 268 38 38 THR HG2 H 1.238 . 1 269 38 38 THR C C 174.295 . 1 270 38 38 THR CA C 61.855 . 1 271 38 38 THR CB C 69.702 . 1 272 38 38 THR CG2 C 21.382 . 1 273 38 38 THR N N 110.411 . 1 274 39 39 ILE H H 6.889 . 1 275 39 39 ILE HA H 4.212 . 1 276 39 39 ILE HB H 1.744 . 1 277 39 39 ILE HD1 H 0.726 . 1 278 39 39 ILE HG12 H 0.842 . 9 279 39 39 ILE C C 174.836 . 1 280 39 39 ILE CA C 60.752 . 1 281 39 39 ILE CB C 39.002 . 1 282 39 39 ILE CD1 C 12.468 . 1 283 39 39 ILE N N 120.299 . 1 284 40 40 GLU H H 8.537 . 1 285 40 40 GLU HA H 4.144 . 1 286 40 40 GLU HB2 H 2.021 . 2 287 40 40 GLU HB3 H 2.069 . 2 288 40 40 GLU HG2 H 2.380 . 2 289 40 40 GLU HG3 H 2.380 . 2 290 40 40 GLU C C 174.232 . 1 291 40 40 GLU CA C 54.313 . 1 292 40 40 GLU CB C 30.974 . 1 293 40 40 GLU CG C 31.829 . 1 294 40 40 GLU N N 129.792 . 1 295 41 41 ASN H H 8.404 . 1 296 41 41 ASN HA H 4.920 . 1 297 41 41 ASN HB2 H 2.290 . 2 298 41 41 ASN HB3 H 2.510 . 2 299 41 41 ASN C C 172.609 . 1 300 41 41 ASN CA C 51.782 . 1 301 41 41 ASN CB C 42.156 . 1 302 41 41 ASN N N 125.218 . 1 303 42 42 THR H H 7.921 . 1 304 42 42 THR HA H 5.318 . 1 305 42 42 THR HB H 3.916 . 1 306 42 42 THR HG2 H 1.022 . 1 307 42 42 THR C C 173.858 . 1 308 42 42 THR CA C 60.893 . 1 309 42 42 THR CB C 68.847 . 1 310 42 42 THR CG2 C 21.108 . 1 311 42 42 THR N N 118.453 . 1 312 43 43 PHE H H 9.299 . 1 313 43 43 PHE HA H 4.782 . 1 314 43 43 PHE HB2 H 2.675 . 2 315 43 43 PHE HB3 H 3.105 . 2 316 43 43 PHE HD1 H 7.302 . 3 317 43 43 PHE C C 174.669 . 1 318 43 43 PHE CA C 56.384 . 1 319 43 43 PHE CB C 42.509 . 1 320 43 43 PHE N N 127.717 . 1 321 44 44 THR H H 8.731 . 1 322 44 44 THR HA H 5.517 . 1 323 44 44 THR HB H 4.022 . 1 324 44 44 THR HG2 H 1.118 . 1 325 44 44 THR C C 172.963 . 1 326 44 44 THR CA C 59.925 . 1 327 44 44 THR CB C 71.168 . 1 328 44 44 THR CG2 C 21.036 . 1 329 44 44 THR N N 114.740 . 1 330 45 45 LYS H H 8.409 . 1 331 45 45 LYS HA H 4.365 . 1 332 45 45 LYS HB2 H 1.410 . 2 333 45 45 LYS HB3 H 1.542 . 2 334 45 45 LYS C C 172.713 . 1 335 45 45 LYS CA C 54.910 . 1 336 45 45 LYS CB C 37.054 . 1 337 45 45 LYS N N 123.463 . 1 338 46 46 LEU H H 8.291 . 1 339 46 46 LEU HA H 5.380 . 1 340 46 46 LEU HB2 H 1.555 . 2 341 46 46 LEU HB3 H 1.555 . 2 342 46 46 LEU HD1 H 0.750 . 2 343 46 46 LEU HD2 H 0.744 . 2 344 46 46 LEU HG H 1.563 . 1 345 46 46 LEU C C 176.106 . 1 346 46 46 LEU CA C 53.843 . 1 347 46 46 LEU CB C 42.497 . 1 348 46 46 LEU N N 129.261 . 1 349 47 47 ILE H H 9.031 . 1 350 47 47 ILE HA H 3.995 . 1 351 47 47 ILE HB H 1.876 . 1 352 47 47 ILE HG12 H 1.015 . 9 353 47 47 ILE C C 172.109 . 1 354 47 47 ILE CA C 59.476 . 1 355 47 47 ILE CB C 41.848 . 1 356 47 47 ILE N N 122.538 . 1 357 48 48 THR H H 8.581 . 1 358 48 48 THR HA H 5.377 . 1 359 48 48 THR HB H 3.961 . 1 360 48 48 THR HG2 H 1.005 . 1 361 48 48 THR C C 174.191 . 1 362 48 48 THR CA C 61.153 . 1 363 48 48 THR CB C 68.875 . 1 364 48 48 THR CG2 C 21.494 . 1 365 48 48 THR N N 123.464 . 1 366 49 49 VAL H H 9.217 . 1 367 49 49 VAL HA H 4.299 . 1 368 49 49 VAL HB H 2.162 . 1 369 49 49 VAL HG1 H 0.911 . 2 370 49 49 VAL HG2 H 0.895 . 2 371 49 49 VAL CA C 61.176 . 1 372 49 49 VAL CB C 34.869 . 1 373 49 49 VAL CG1 C 21.269 . 1 374 49 49 VAL CG2 C 20.612 . 1 375 49 49 VAL N N 127.683 . 1 376 50 50 ASN HA H 4.443 . 1 377 50 50 ASN HB2 H 2.862 . 2 378 50 50 ASN HB3 H 3.194 . 2 379 50 50 ASN C C 175.086 . 1 380 50 50 ASN CA C 53.543 . 1 381 50 50 ASN CB C 36.550 . 1 382 51 51 GLY H H 8.557 . 1 383 51 51 GLY HA2 H 3.561 . 2 384 51 51 GLY HA3 H 4.153 . 2 385 51 51 GLY C C 175.814 . 1 386 51 51 GLY CA C 45.068 . 1 387 51 51 GLY N N 103.795 . 1 388 52 52 GLN H H 7.794 . 1 389 52 52 GLN HA H 4.527 . 1 390 52 52 GLN HB2 H 2.043 . 2 391 52 52 GLN HB3 H 2.043 . 2 392 52 52 GLN HG2 H 1.734 . 2 393 52 52 GLN C C 172.880 . 1 394 52 52 GLN CA C 53.089 . 1 395 52 52 GLN CB C 30.695 . 1 396 52 52 GLN N N 121.555 . 1 397 53 53 GLU H H 8.670 . 1 398 53 53 GLU HA H 4.676 . 1 399 53 53 GLU HB2 H 1.880 . 2 400 53 53 GLU HB3 H 1.880 . 2 401 53 53 GLU HG2 H 2.130 . 2 402 53 53 GLU HG3 H 2.130 . 2 403 53 53 GLU C C 175.383 . 1 404 53 53 GLU CA C 56.399 . 1 405 53 53 GLU CB C 30.765 . 1 406 53 53 GLU N N 126.939 . 1 407 54 54 TYR H H 9.554 . 1 408 54 54 TYR HA H 5.164 . 1 409 54 54 TYR HB2 H 2.626 . 2 410 54 54 TYR HB3 H 2.939 . 2 411 54 54 TYR HD1 H 7.014 . 3 412 54 54 TYR HD2 H 7.014 . 3 413 54 54 TYR C C 172.934 . 1 414 54 54 TYR CA C 57.035 . 1 415 54 54 TYR CB C 41.018 . 1 416 54 54 TYR N N 125.747 . 1 417 55 55 HIS H H 8.979 . 1 418 55 55 HIS HA H 4.852 . 1 419 55 55 HIS HB2 H 2.938 . 2 420 55 55 HIS HB3 H 3.096 . 2 421 55 55 HIS C C 173.899 . 1 422 55 55 HIS CA C 55.027 . 1 423 55 55 HIS CB C 30.913 . 1 424 55 55 HIS N N 124.520 . 1 425 56 56 LEU H H 8.899 . 1 426 56 56 LEU HA H 5.153 . 1 427 56 56 LEU HB2 H 1.418 . 2 428 56 56 LEU HB3 H 1.927 . 2 429 56 56 LEU HD1 H 0.808 . 2 430 56 56 LEU HD2 H 0.903 . 2 431 56 56 LEU HG H 1.713 . 1 432 56 56 LEU C C 175.752 . 1 433 56 56 LEU CA C 53.445 . 1 434 56 56 LEU CB C 43.344 . 1 435 56 56 LEU CG C 28.610 . 1 436 56 56 LEU N N 126.630 . 1 437 57 57 GLN H H 8.674 . 1 438 57 57 GLN HA H 5.021 . 1 439 57 57 GLN HB2 H 1.797 . 2 440 57 57 GLN HB3 H 1.913 . 2 441 57 57 GLN C C 173.629 . 1 442 57 57 GLN CA C 54.162 . 1 443 57 57 GLN CB C 30.733 . 1 444 57 57 GLN N N 122.539 . 1 445 58 58 LEU H H 9.449 . 1 446 58 58 LEU HA H 5.094 . 1 447 58 58 LEU HB2 H 1.332 . 2 448 58 58 LEU HB3 H 1.921 . 2 449 58 58 LEU HD1 H 0.806 . 2 450 58 58 LEU HD2 H 1.018 . 2 451 58 58 LEU HG H 1.504 . 1 452 58 58 LEU C C 174.253 . 1 453 58 58 LEU CA C 52.259 . 1 454 58 58 LEU CB C 42.150 . 1 455 58 58 LEU N N 125.635 . 1 456 59 59 VAL H H 9.331 . 1 457 59 59 VAL HA H 4.205 . 1 458 59 59 VAL HB H 2.119 . 1 459 59 59 VAL HG1 H 0.824 . 2 460 59 59 VAL HG2 H 0.824 . 2 461 59 59 VAL C C 172.942 . 1 462 59 59 VAL CA C 62.032 . 1 463 59 59 VAL CB C 30.813 . 1 464 59 59 VAL CG1 C 17.205 . 1 465 59 59 VAL CG2 C 17.205 . 1 466 59 59 VAL N N 125.921 . 1 467 60 60 ASP H H 8.696 . 1 468 60 60 ASP HA H 4.886 . 1 469 60 60 ASP HB2 H 2.645 . 2 470 60 60 ASP HB3 H 3.376 . 2 471 60 60 ASP C C 175.252 . 1 472 60 60 ASP CA C 53.211 . 1 473 60 60 ASP CB C 40.437 . 1 474 60 60 ASP N N 130.622 . 1 475 61 61 THR H H 7.144 . 1 476 61 61 THR HA H 4.386 . 1 477 61 61 THR HB H 4.336 . 1 478 61 61 THR HG2 H 1.261 . 1 479 61 61 THR C C 173.712 . 1 480 61 61 THR CA C 61.719 . 1 481 61 61 THR CB C 70.295 . 1 482 61 61 THR CG2 C 21.214 . 1 483 61 61 THR N N 112.828 . 1 484 62 62 ALA H H 9.172 . 1 485 62 62 ALA HA H 4.183 . 1 486 62 62 ALA HB H 1.478 . 1 487 62 62 ALA C C 178.582 . 1 488 62 62 ALA CA C 53.673 . 1 489 62 62 ALA CB C 18.026 . 1 490 62 62 ALA N N 122.803 . 1 491 63 63 GLY H H 7.524 . 1 492 63 63 GLY HA2 H 4.023 . 2 493 63 63 GLY HA3 H 4.289 . 2 494 63 63 GLY C C 172.234 . 1 495 63 63 GLY CA C 44.301 . 1 496 63 63 GLY N N 105.150 . 1 497 64 64 GLN H H 7.399 . 1 498 64 64 GLN HA H 4.886 . 1 499 64 64 GLN HB2 H 2.108 . 2 500 64 64 GLN HB3 H 2.229 . 2 501 64 64 GLN C C 174.482 . 1 502 64 64 GLN CA C 55.083 . 1 503 64 64 GLN CB C 31.384 . 1 504 64 64 GLN N N 120.562 . 1 505 65 65 ASP H H 8.881 . 1 506 65 65 ASP HA H 4.828 . 1 507 65 65 ASP HB2 H 2.913 . 2 508 65 65 ASP HB3 H 3.398 . 2 509 65 65 ASP C C 175.523 . 1 510 65 65 ASP CA C 52.438 . 1 511 65 65 ASP CB C 41.590 . 1 512 65 65 ASP N N 120.409 . 1 513 66 66 GLU H H 10.778 . 1 514 66 66 GLU HA H 3.901 . 1 515 66 66 GLU HB2 H 1.669 . 2 516 66 66 GLU HB3 H 1.757 . 2 517 66 66 GLU C C 175.877 . 1 518 66 66 GLU CA C 58.582 . 1 519 66 66 GLU CB C 27.711 . 1 520 66 66 GLU N N 118.013 . 1 521 67 67 TYR H H 8.573 . 1 522 67 67 TYR HA H 4.658 . 1 523 67 67 TYR HB2 H 2.918 . 2 524 67 67 TYR HB3 H 3.315 . 2 525 67 67 TYR C C 176.309 . 1 526 67 67 TYR CA C 56.853 . 1 527 67 67 TYR CB C 37.895 . 1 528 67 67 TYR N N 119.905 . 1 529 68 68 SER H H 7.740 . 1 530 68 68 SER HA H 4.327 . 1 531 68 68 SER HB2 H 3.740 . 2 532 68 68 SER HB3 H 3.983 . 2 533 68 68 SER C C 172.588 . 1 534 68 68 SER CA C 60.598 . 1 535 68 68 SER CB C 63.382 . 1 536 68 68 SER N N 119.051 . 1 537 69 69 ILE H H 8.472 . 1 538 69 69 ILE HA H 4.208 . 1 539 69 69 ILE HB H 1.795 . 1 540 69 69 ILE HG12 H 1.163 . 1 541 69 69 ILE HG13 H 1.496 . 1 542 69 69 ILE HG2 H 0.858 . 1 543 69 69 ILE C C 175.710 . 1 544 69 69 ILE CA C 59.303 . 1 545 69 69 ILE CB C 38.934 . 1 546 69 69 ILE CG2 C 12.532 . 1 547 69 69 ILE N N 123.707 . 1 548 70 70 PHE H H 8.808 . 1 549 70 70 PHE CA C 54.668 . 1 550 70 70 PHE N N 128.191 . 1 551 73 73 THR HA H 4.367 . 1 552 73 73 THR HB H 4.149 . 1 553 73 73 THR HG2 H 1.295 . 1 554 73 73 THR C C 175.502 . 1 555 73 73 THR CA C 62.725 . 1 556 73 73 THR CB C 68.179 . 1 557 74 74 TYR H H 7.884 . 1 558 74 74 TYR HA H 4.553 . 1 559 74 74 TYR HB2 H 3.241 . 2 560 74 74 TYR HB3 H 3.241 . 2 561 74 74 TYR HD1 H 6.857 . 3 562 74 74 TYR HE1 H 6.316 . 3 563 74 74 TYR C C 175.710 . 1 564 74 74 TYR CA C 58.081 . 1 565 74 74 TYR CB C 36.420 . 1 566 74 74 TYR N N 122.193 . 1 567 75 75 SER H H 7.955 . 1 568 75 75 SER HA H 4.441 . 1 569 75 75 SER HB2 H 3.892 . 2 570 75 75 SER HB3 H 4.090 . 2 571 75 75 SER C C 174.461 . 1 572 75 75 SER CA C 59.055 . 1 573 75 75 SER CB C 63.899 . 1 574 75 75 SER N N 112.389 . 1 575 76 76 ILE H H 7.426 . 1 576 76 76 ILE HA H 4.149 . 1 577 76 76 ILE HB H 1.889 . 1 578 76 76 ILE HD1 H 0.475 . 1 579 76 76 ILE HG12 H 1.225 . 1 580 76 76 ILE HG13 H 1.292 . 1 581 76 76 ILE HG2 H 0.926 . 1 582 76 76 ILE C C 175.585 . 1 583 76 76 ILE CA C 62.080 . 1 584 76 76 ILE CB C 38.278 . 1 585 76 76 ILE N N 121.175 . 1 586 77 77 ASP H H 8.352 . 1 587 77 77 ASP HA H 4.505 . 1 588 77 77 ASP HB2 H 2.662 . 2 589 77 77 ASP HB3 H 2.768 . 2 590 77 77 ASP C C 174.212 . 1 591 77 77 ASP CA C 54.378 . 1 592 77 77 ASP CB C 40.568 . 1 593 77 77 ASP N N 120.957 . 1 594 78 78 ILE H H 7.400 . 1 595 78 78 ILE HA H 3.900 . 1 596 78 78 ILE HB H 1.908 . 1 597 78 78 ILE HD1 H 0.501 . 1 598 78 78 ILE HG12 H 1.104 . 1 599 78 78 ILE HG13 H 1.268 . 1 600 78 78 ILE HG2 H 0.315 . 1 601 78 78 ILE C C 176.147 . 1 602 78 78 ILE CA C 59.152 . 1 603 78 78 ILE CB C 36.336 . 1 604 78 78 ILE CD1 C 9.569 . 1 605 78 78 ILE CG2 C 19.659 . 1 606 78 78 ILE N N 118.208 . 1 607 79 79 ASN H H 9.408 . 1 608 79 79 ASN HA H 4.937 . 1 609 79 79 ASN HB2 H 2.377 . 2 610 79 79 ASN HB3 H 3.148 . 2 611 79 79 ASN HD21 H 7.206 . 2 612 79 79 ASN HD22 H 8.040 . 2 613 79 79 ASN C C 173.504 . 1 614 79 79 ASN CA C 53.988 . 1 615 79 79 ASN CB C 40.979 . 1 616 79 79 ASN N N 123.329 . 1 617 79 79 ASN ND2 N 110.923 . 1 618 80 80 GLY H H 7.148 . 1 619 80 80 GLY HA2 H 3.572 . 2 620 80 80 GLY HA3 H 4.344 . 2 621 80 80 GLY C C 168.832 . 1 622 80 80 GLY CA C 45.425 . 1 623 80 80 GLY N N 104.610 . 1 624 81 81 TYR H H 8.308 . 1 625 81 81 TYR HA H 5.380 . 1 626 81 81 TYR HB2 H 2.654 . 2 627 81 81 TYR HB3 H 2.717 . 2 628 81 81 TYR HD1 H 6.582 . 3 629 81 81 TYR HE1 H 6.852 . 3 630 81 81 TYR C C 173.421 . 1 631 81 81 TYR CA C 57.233 . 1 632 81 81 TYR CB C 42.425 . 1 633 81 81 TYR N N 118.095 . 1 634 82 82 ILE H H 8.980 . 1 635 82 82 ILE HA H 4.521 . 1 636 82 82 ILE HB H 1.672 . 1 637 82 82 ILE HG12 H 0.574 . 9 638 82 82 ILE C C 172.692 . 1 639 82 82 ILE CA C 59.891 . 1 640 82 82 ILE CB C 38.763 . 1 641 82 82 ILE N N 122.445 . 1 642 83 83 LEU H H 9.375 . 1 643 83 83 LEU HA H 4.786 . 1 644 83 83 LEU HB2 H 1.800 . 2 645 83 83 LEU HB3 H 2.031 . 2 646 83 83 LEU HG H 0.895 . 1 647 83 83 LEU C C 173.421 . 1 648 83 83 LEU CA C 54.247 . 1 649 83 83 LEU CB C 41.195 . 1 650 83 83 LEU N N 132.429 . 1 651 84 84 VAL H H 9.067 . 1 652 84 84 VAL HA H 5.233 . 1 653 84 84 VAL HB H 1.939 . 1 654 84 84 VAL HG1 H 0.701 . 2 655 84 84 VAL HG2 H 0.770 . 2 656 84 84 VAL C C 175.148 . 1 657 84 84 VAL CA C 60.533 . 1 658 84 84 VAL CB C 33.049 . 1 659 84 84 VAL CG1 C 22.349 . 1 660 84 84 VAL N N 124.607 . 1 661 85 85 TYR H H 9.269 . 1 662 85 85 TYR HA H 5.062 . 1 663 85 85 TYR HB2 H 2.737 . 2 664 85 85 TYR HB3 H 3.597 . 2 665 85 85 TYR C C 171.777 . 1 666 85 85 TYR CA C 55.459 . 1 667 85 85 TYR CB C 39.664 . 1 668 85 85 TYR N N 124.253 . 1 669 86 86 SER H H 9.106 . 1 670 86 86 SER HA H 5.141 . 1 671 86 86 SER HB2 H 3.761 . 2 672 86 86 SER HB3 H 3.904 . 2 673 86 86 SER C C 176.917 . 1 674 86 86 SER CA C 53.692 . 1 675 86 86 SER CB C 64.304 . 1 676 86 86 SER N N 113.445 . 1 677 87 87 VAL H H 9.005 . 1 678 87 87 VAL HA H 4.266 . 1 679 87 87 VAL HB H 2.708 . 1 680 87 87 VAL HG1 H 0.681 . 2 681 87 87 VAL HG2 H 0.937 . 2 682 87 87 VAL C C 175.294 . 1 683 87 87 VAL CA C 63.321 . 1 684 87 87 VAL CB C 28.824 . 1 685 87 87 VAL CG1 C 18.045 . 1 686 87 87 VAL CG2 C 17.205 . 1 687 87 87 VAL N N 121.622 . 1 688 88 88 THR H H 8.432 . 1 689 88 88 THR HA H 4.833 . 1 690 88 88 THR HB H 4.618 . 1 691 88 88 THR HG2 H 1.040 . 1 692 88 88 THR C C 174.253 . 1 693 88 88 THR CA C 61.009 . 1 694 88 88 THR CB C 68.452 . 1 695 88 88 THR CG2 C 23.130 . 1 696 88 88 THR N N 111.574 . 1 697 89 89 SER H H 7.838 . 1 698 89 89 SER HA H 5.172 . 1 699 89 89 SER HB2 H 3.933 . 2 700 89 89 SER HB3 H 3.933 . 2 701 89 89 SER C C 174.794 . 1 702 89 89 SER CA C 54.954 . 1 703 89 89 SER CB C 63.442 . 1 704 89 89 SER N N 117.487 . 1 705 90 90 ILE H H 9.154 . 1 706 90 90 ILE HA H 3.993 . 1 707 90 90 ILE HB H 1.877 . 1 708 90 90 ILE HD1 H 0.515 . 1 709 90 90 ILE C C 177.791 . 1 710 90 90 ILE CA C 64.193 . 1 711 90 90 ILE CB C 37.086 . 1 712 90 90 ILE N N 134.187 . 1 713 91 91 LYS H H 8.582 . 1 714 91 91 LYS HA H 4.186 . 1 715 91 91 LYS HB2 H 1.579 . 2 716 91 91 LYS HB3 H 1.952 . 2 717 91 91 LYS C C 177.771 . 1 718 91 91 LYS CA C 57.628 . 1 719 91 91 LYS CB C 31.185 . 1 720 91 91 LYS N N 122.759 . 1 721 92 92 SER H H 8.316 . 1 722 92 92 SER HA H 4.333 . 1 723 92 92 SER HB2 H 3.800 . 2 724 92 92 SER HB3 H 3.286 . 2 725 92 92 SER C C 174.878 . 1 726 92 92 SER CA C 61.400 . 1 727 92 92 SER CB C 62.865 . 1 728 92 92 SER N N 114.276 . 1 729 93 93 PHE H H 7.771 . 1 730 93 93 PHE HA H 4.263 . 1 731 93 93 PHE HB2 H 2.887 . 2 732 93 93 PHE HB3 H 3.286 . 2 733 93 93 PHE HD1 H 6.229 . 3 734 93 93 PHE HD2 H 6.488 . 3 735 93 93 PHE C C 175.564 . 1 736 93 93 PHE CA C 59.264 . 1 737 93 93 PHE CB C 40.698 . 1 738 93 93 PHE N N 131.084 . 1 739 94 94 GLU H H 8.462 . 1 740 94 94 GLU HA H 3.889 . 1 741 94 94 GLU HB2 H 2.054 . 2 742 94 94 GLU HB3 H 2.239 . 2 743 94 94 GLU HG2 H 2.499 . 2 744 94 94 GLU C C 181.017 . 1 745 94 94 GLU CA C 59.023 . 1 746 94 94 GLU CB C 28.851 . 1 747 94 94 GLU N N 119.725 . 1 748 95 95 VAL H H 8.740 . 1 749 95 95 VAL HA H 3.555 . 1 750 95 95 VAL HB H 1.946 . 1 751 95 95 VAL HG1 H 0.845 . 2 752 95 95 VAL HG2 H 1.024 . 2 753 95 95 VAL C C 177.791 . 1 754 95 95 VAL CA C 66.122 . 1 755 95 95 VAL CB C 31.001 . 1 756 95 95 VAL CG1 C 23.674 . 1 757 95 95 VAL N N 118.366 . 1 758 96 96 ILE H H 7.832 . 1 759 96 96 ILE HA H 4.381 . 1 760 96 96 ILE HB H 2.241 . 1 761 96 96 ILE C C 176.468 . 1 762 96 96 ILE CA C 60.499 . 1 763 96 96 ILE CB C 38.157 . 1 764 96 96 ILE N N 122.892 . 1 765 97 97 LYS H H 7.117 . 1 766 97 97 LYS HA H 4.282 . 1 767 97 97 LYS HB2 H 1.971 . 2 768 97 97 LYS HB3 H 2.053 . 2 769 97 97 LYS C C 180.459 . 1 770 97 97 LYS CA C 59.967 . 1 771 97 97 LYS CB C 32.355 . 1 772 97 97 LYS N N 121.240 . 1 773 98 98 VAL H H 7.223 . 1 774 98 98 VAL HA H 3.775 . 1 775 98 98 VAL HB H 2.278 . 1 776 98 98 VAL HG1 H 1.014 . 2 777 98 98 VAL HG2 H 1.103 . 2 778 98 98 VAL C C 178.936 . 1 779 98 98 VAL CA C 65.385 . 1 780 98 98 VAL CB C 31.314 . 1 781 98 98 VAL CG2 C 21.557 . 1 782 98 98 VAL N N 121.835 . 1 783 99 99 ILE H H 8.776 . 1 784 99 99 ILE HA H 3.558 . 1 785 99 99 ILE HB H 2.025 . 1 786 99 99 ILE C C 176.420 . 1 787 99 99 ILE CA C 65.179 . 1 788 99 99 ILE N N 121.970 . 1 789 100 100 HIS H H 8.158 . 1 790 100 100 HIS HA H 3.418 . 1 791 100 100 HIS HB2 H 2.395 . 2 792 100 100 HIS HB3 H 2.603 . 2 793 100 100 HIS C C 175.226 . 1 794 100 100 HIS CA C 60.952 . 1 795 100 100 HIS CB C 30.280 . 1 796 100 100 HIS N N 118.195 . 1 797 101 101 GLY H H 7.378 . 1 798 101 101 GLY HA2 H 3.473 . 2 799 101 101 GLY HA3 H 3.886 . 2 800 101 101 GLY C C 172.588 . 1 801 101 101 GLY CA C 46.939 . 1 802 101 101 GLY N N 104.389 . 1 803 102 102 LYS H H 7.753 . 1 804 102 102 LYS HA H 4.024 . 1 805 102 102 LYS HG2 H 1.468 . 2 806 102 102 LYS HG3 H 1.527 . 2 807 102 102 LYS C C 179.207 . 1 808 102 102 LYS CA C 58.476 . 1 809 102 102 LYS CB C 32.340 . 1 810 102 102 LYS N N 121.967 . 1 811 103 103 LEU H H 8.312 . 1 812 103 103 LEU HA H 3.664 . 1 813 103 103 LEU HD1 H 0.016 . 2 814 103 103 LEU CA C 57.293 . 1 815 103 103 LEU CD1 C 22.972 . 1 816 103 103 LEU N N 123.550 . 1 817 104 104 LEU HA H 3.819 . 1 818 104 104 LEU HB2 H 1.355 . 2 819 104 104 LEU HB3 H 1.464 . 2 820 104 104 LEU HD1 H 0.503 . 2 821 104 104 LEU HG H 1.182 . 1 822 104 104 LEU C C 179.789 . 1 823 104 104 LEU CA C 57.007 . 1 824 104 104 LEU CB C 39.952 . 1 825 104 104 LEU CD1 C 21.714 . 1 826 105 105 ASP H H 7.558 . 1 827 105 105 ASP HA H 4.346 . 1 828 105 105 ASP HB2 H 2.627 . 2 829 105 105 ASP HB3 H 2.710 . 2 830 105 105 ASP C C 177.084 . 1 831 105 105 ASP CA C 56.466 . 1 832 105 105 ASP CB C 40.259 . 1 833 105 105 ASP N N 119.553 . 1 834 106 106 MET H H 7.532 . 1 835 106 106 MET HA H 4.305 . 1 836 106 106 MET HB2 H 2.172 . 2 837 106 106 MET HB3 H 2.262 . 2 838 106 106 MET HE H 1.958 . 1 839 106 106 MET C C 177.438 . 1 840 106 106 MET CA C 57.594 . 1 841 106 106 MET CB C 32.503 . 1 842 106 106 MET CE C 16.732 . 1 843 106 106 MET N N 119.243 . 1 844 107 107 VAL H H 8.220 . 1 845 107 107 VAL HA H 4.152 . 1 846 107 107 VAL HB H 2.246 . 1 847 107 107 VAL HG1 H 0.956 . 2 848 107 107 VAL HG2 H 0.975 . 2 849 107 107 VAL C C 177.065 . 1 850 107 107 VAL CA C 62.819 . 1 851 107 107 VAL CB C 31.853 . 1 852 107 107 VAL CG1 C 19.928 . 1 853 107 107 VAL CG2 C 20.812 . 1 854 107 107 VAL N N 114.323 . 1 855 108 108 GLY H H 7.985 . 1 856 108 108 GLY HA2 H 3.852 . 2 857 108 108 GLY HA3 H 4.035 . 2 858 108 108 GLY C C 174.087 . 1 859 108 108 GLY CA C 45.594 . 1 860 108 108 GLY N N 110.369 . 1 861 109 109 LYS H H 8.396 . 1 862 109 109 LYS HA H 4.333 . 1 863 109 109 LYS HB2 H 1.737 . 2 864 109 109 LYS HB3 H 1.975 . 2 865 109 109 LYS HG2 H 1.444 . 2 866 109 109 LYS C C 175.773 . 1 867 109 109 LYS CA C 55.589 . 1 868 109 109 LYS CB C 31.393 . 1 869 109 109 LYS N N 121.527 . 1 870 110 110 VAL H H 7.567 . 1 871 110 110 VAL HA H 4.122 . 1 872 110 110 VAL HB H 2.119 . 1 873 110 110 VAL HG1 H 0.962 . 2 874 110 110 VAL HG2 H 0.962 . 2 875 110 110 VAL C C 174.919 . 1 876 110 110 VAL CA C 61.574 . 1 877 110 110 VAL CB C 32.657 . 1 878 110 110 VAL CG1 C 20.812 . 1 879 110 110 VAL N N 119.770 . 1 880 111 111 GLN H H 8.408 . 1 881 111 111 GLN HA H 4.436 . 1 882 111 111 GLN HB2 H 1.622 . 2 883 111 111 GLN HB3 H 2.053 . 2 884 111 111 GLN HE21 H 7.664 . 2 885 111 111 GLN HE22 H 6.903 . 2 886 111 111 GLN HG2 H 2.448 . 2 887 111 111 GLN HG3 H 2.448 . 2 888 111 111 GLN C C 174.303 . 1 889 111 111 GLN CA C 55.559 . 1 890 111 111 GLN CB C 28.273 . 1 891 111 111 GLN N N 124.360 . 1 892 111 111 GLN NE2 N 113.058 . 1 893 112 112 ILE H H 7.960 . 1 894 112 112 ILE CA C 56.896 . 1 895 112 112 ILE N N 122.758 . 1 896 113 113 PRO HA H 4.681 . 1 897 113 113 PRO C C 174.162 . 1 898 113 113 PRO CA C 62.573 . 1 899 113 113 PRO CB C 30.868 . 1 900 114 114 ILE H H 8.449 . 1 901 114 114 ILE HA H 5.211 . 1 902 114 114 ILE HB H 1.896 . 1 903 114 114 ILE HG2 H 0.989 . 1 904 114 114 ILE C C 173.913 . 1 905 114 114 ILE CA C 59.558 . 1 906 114 114 ILE CB C 41.532 . 1 907 114 114 ILE CG2 C 17.861 . 1 908 114 114 ILE N N 124.902 . 1 909 115 115 MET H H 8.485 . 1 910 115 115 MET HA H 5.080 . 1 911 115 115 MET HB2 H 1.772 . 2 912 115 115 MET HB3 H 1.906 . 2 913 115 115 MET HE H 1.831 . 1 914 115 115 MET HG2 H 2.063 . 2 915 115 115 MET HG3 H 2.294 . 2 916 115 115 MET C C 171.589 . 1 917 115 115 MET CA C 53.193 . 1 918 115 115 MET CB C 36.820 . 1 919 115 115 MET CE C 17.865 . 1 920 115 115 MET N N 125.439 . 1 921 116 116 LEU H H 9.173 . 1 922 116 116 LEU HA H 5.488 . 1 923 116 116 LEU HB2 H 1.400 . 2 924 116 116 LEU HB3 H 2.334 . 2 925 116 116 LEU HD1 H 0.700 . 2 926 116 116 LEU HD2 H 1.367 . 2 927 116 116 LEU C C 173.109 . 1 928 116 116 LEU CA C 53.251 . 1 929 116 116 LEU CB C 44.508 . 1 930 116 116 LEU CD2 C 23.730 . 1 931 116 116 LEU N N 130.669 . 1 932 117 117 VAL H H 9.208 . 1 933 117 117 VAL HA H 5.058 . 1 934 117 117 VAL HB H 1.642 . 1 935 117 117 VAL HG1 H 0.577 . 2 936 117 117 VAL HG2 H 0.637 . 2 937 117 117 VAL C C 173.442 . 1 938 117 117 VAL CA C 59.069 . 1 939 117 117 VAL CB C 35.694 . 1 940 117 117 VAL CG1 C 21.183 . 1 941 117 117 VAL CG2 C 23.428 . 1 942 117 117 VAL N N 126.275 . 1 943 118 118 GLY H H 7.877 . 1 944 118 118 GLY HA2 H 2.623 . 2 945 118 118 GLY HA3 H 2.923 . 2 946 118 118 GLY C C 171.173 . 1 947 118 118 GLY CA C 44.186 . 1 948 118 118 GLY N N 113.136 . 1 949 119 119 ASN H H 8.969 . 1 950 119 119 ASN HA H 5.452 . 1 951 119 119 ASN HB2 H 2.178 . 2 952 119 119 ASN HB3 H 2.678 . 2 953 119 119 ASN C C 173.712 . 1 954 119 119 ASN CA C 51.328 . 1 955 119 119 ASN CB C 40.585 . 1 956 119 119 ASN N N 123.924 . 1 957 120 120 LYS H H 7.188 . 1 958 120 120 LYS HA H 4.260 . 1 959 120 120 LYS HB2 H 1.666 . 2 960 120 120 LYS HB3 H 2.650 . 2 961 120 120 LYS C C 177.209 . 1 962 120 120 LYS CA C 57.507 . 1 963 120 120 LYS CB C 28.809 . 1 964 120 120 LYS N N 111.862 . 1 965 121 121 LYS H H 8.511 . 1 966 121 121 LYS HA H 3.958 . 1 967 121 121 LYS HB2 H 1.554 . 2 968 121 121 LYS HB3 H 1.987 . 2 969 121 121 LYS C C 174.940 . 1 970 121 121 LYS CA C 57.702 . 1 971 121 121 LYS CB C 31.012 . 1 972 121 121 LYS N N 116.078 . 1 973 122 122 ASP H H 8.608 . 1 974 122 122 ASP HA H 4.501 . 1 975 122 122 ASP HB2 H 2.667 . 2 976 122 122 ASP HB3 H 2.768 . 2 977 122 122 ASP C C 176.126 . 1 978 122 122 ASP CA C 54.324 . 1 979 122 122 ASP CB C 40.277 . 1 980 122 122 ASP N N 116.739 . 1 981 123 123 LEU H H 7.708 . 1 982 123 123 LEU HA H 4.704 . 1 983 123 123 LEU HB2 H 1.321 . 2 984 123 123 LEU HB3 H 1.919 . 2 985 123 123 LEU HD1 H 0.756 . 2 986 123 123 LEU C C 177.417 . 1 987 123 123 LEU CA C 52.313 . 1 988 123 123 LEU CB C 38.215 . 1 989 123 123 LEU CD1 C 21.829 . 1 990 123 123 LEU N N 124.957 . 1 991 124 124 HIS H H 7.547 . 1 992 124 124 HIS HA H 4.269 . 1 993 124 124 HIS HB2 H 3.171 . 2 994 124 124 HIS HB3 H 3.171 . 2 995 124 124 HIS C C 177.958 . 1 996 124 124 HIS CA C 58.886 . 1 997 124 124 HIS CB C 30.736 . 1 998 124 124 HIS N N 120.500 . 1 999 125 125 MET H H 8.580 . 1 1000 125 125 MET HA H 4.398 . 1 1001 125 125 MET HB2 H 2.056 . 2 1002 125 125 MET HB3 H 2.105 . 2 1003 125 125 MET HG2 H 2.545 . 2 1004 125 125 MET C C 177.296 . 1 1005 125 125 MET CA C 56.345 . 1 1006 125 125 MET CB C 30.728 . 1 1007 125 125 MET N N 117.724 . 1 1008 126 126 GLU H H 7.694 . 1 1009 126 126 GLU HA H 4.422 . 1 1010 126 126 GLU HB2 H 1.901 . 2 1011 126 126 GLU HB3 H 2.383 . 2 1012 126 126 GLU HG2 H 2.110 . 2 1013 126 126 GLU HG3 H 2.110 . 2 1014 126 126 GLU C C 174.919 . 1 1015 126 126 GLU CA C 55.081 . 1 1016 126 126 GLU CB C 30.684 . 1 1017 126 126 GLU N N 118.263 . 1 1018 127 127 ARG H H 6.985 . 1 1019 127 127 ARG HA H 3.689 . 1 1020 127 127 ARG HB2 H 1.604 . 2 1021 127 127 ARG HB3 H 1.915 . 2 1022 127 127 ARG HE H 7.400 . 1 1023 127 127 ARG C C 176.189 . 1 1024 127 127 ARG CA C 57.918 . 1 1025 127 127 ARG CB C 30.777 . 1 1026 127 127 ARG N N 121.221 . 1 1027 127 127 ARG NE N 90.592 . 1 1028 128 128 VAL H H 9.162 . 1 1029 128 128 VAL HA H 4.562 . 1 1030 128 128 VAL HB H 2.342 . 1 1031 128 128 VAL HG1 H 0.857 . 2 1032 128 128 VAL HG2 H 1.003 . 2 1033 128 128 VAL C C 174.024 . 1 1034 128 128 VAL CA C 60.903 . 1 1035 128 128 VAL CB C 33.379 . 1 1036 128 128 VAL CG1 C 19.255 . 1 1037 128 128 VAL CG2 C 20.672 . 1 1038 128 128 VAL N N 120.453 . 1 1039 129 129 ILE H H 7.585 . 1 1040 129 129 ILE HA H 4.188 . 1 1041 129 129 ILE HB H 1.736 . 1 1042 129 129 ILE HG12 H 0.176 . 9 1043 129 129 ILE C C 173.900 . 1 1044 129 129 ILE CA C 58.912 . 1 1045 129 129 ILE CB C 38.497 . 1 1046 129 129 ILE N N 124.342 . 1 1047 130 130 SER H H 8.988 . 1 1048 130 130 SER HA H 4.477 . 1 1049 130 130 SER HB2 H 4.061 . 2 1050 130 130 SER HB3 H 4.061 . 2 1051 130 130 SER C C 175.918 . 1 1052 130 130 SER CA C 57.563 . 1 1053 130 130 SER CB C 65.417 . 1 1054 130 130 SER N N 123.725 . 1 1055 131 131 TYR H H 9.384 . 1 1056 131 131 TYR HA H 4.333 . 1 1057 131 131 TYR HB2 H 2.920 . 2 1058 131 131 TYR HB3 H 3.270 . 2 1059 131 131 TYR C C 176.418 . 1 1060 131 131 TYR CA C 61.693 . 1 1061 131 131 TYR CB C 38.149 . 1 1062 131 131 TYR N N 127.811 . 1 1063 132 132 GLU H H 8.859 . 1 1064 132 132 GLU HA H 3.700 . 1 1065 132 132 GLU HB2 H 1.925 . 2 1066 132 132 GLU HB3 H 2.088 . 2 1067 132 132 GLU HG2 H 2.350 . 2 1068 132 132 GLU HG3 H 2.593 . 2 1069 132 132 GLU C C 178.832 . 1 1070 132 132 GLU CA C 60.142 . 1 1071 132 132 GLU CB C 28.325 . 1 1072 132 132 GLU N N 116.696 . 1 1073 133 133 GLU H H 7.938 . 1 1074 133 133 GLU HA H 3.869 . 1 1075 133 133 GLU HB2 H 1.679 . 2 1076 133 133 GLU HB3 H 2.023 . 2 1077 133 133 GLU C C 179.269 . 1 1078 133 133 GLU CA C 58.869 . 1 1079 133 133 GLU CB C 29.348 . 1 1080 133 133 GLU N N 121.597 . 1 1081 134 134 GLY H H 7.215 . 1 1082 134 134 GLY HA2 H 3.352 . 2 1083 134 134 GLY HA3 H 3.666 . 2 1084 134 134 GLY C C 173.213 . 1 1085 134 134 GLY CA C 47.269 . 1 1086 134 134 GLY N N 109.180 . 1 1087 135 135 LYS H H 7.620 . 1 1088 135 135 LYS HA H 4.802 . 1 1089 135 135 LYS HB2 H 1.060 . 2 1090 135 135 LYS HB3 H 1.415 . 2 1091 135 135 LYS C C 177.750 . 1 1092 135 135 LYS CA C 58.103 . 1 1093 135 135 LYS CB C 31.987 . 1 1094 135 135 LYS N N 123.025 . 1 1095 136 136 ALA H H 7.796 . 1 1096 136 136 ALA HA H 3.950 . 1 1097 136 136 ALA HB H 1.307 . 1 1098 136 136 ALA C C 180.393 . 1 1099 136 136 ALA CA C 53.969 . 1 1100 136 136 ALA CB C 17.434 . 1 1101 136 136 ALA N N 119.728 . 1 1102 137 137 LEU H H 7.060 . 1 1103 137 137 LEU HA H 3.613 . 1 1104 137 137 LEU HB2 H 1.016 . 2 1105 137 137 LEU HB3 H 1.461 . 2 1106 137 137 LEU HD1 H -0.061 . 2 1107 137 137 LEU HD2 H 0.312 . 2 1108 137 137 LEU HG H -0.533 . 1 1109 137 137 LEU C C 178.062 . 1 1110 137 137 LEU CA C 56.518 . 1 1111 137 137 LEU CB C 40.149 . 1 1112 137 137 LEU CD1 C 26.557 . 1 1113 137 137 LEU CD2 C 22.495 . 1 1114 137 137 LEU CG C 24.838 . 1 1115 137 137 LEU N N 122.232 . 1 1116 138 138 ALA H H 7.770 . 1 1117 138 138 ALA HA H 3.396 . 1 1118 138 138 ALA HB H 1.428 . 1 1119 138 138 ALA C C 182.054 . 1 1120 138 138 ALA CA C 55.059 . 1 1121 138 138 ALA CB C 18.338 . 1 1122 138 138 ALA N N 121.748 . 1 1123 139 139 GLU H H 8.608 . 1 1124 139 139 GLU HA H 4.146 . 1 1125 139 139 GLU HB2 H 1.995 . 2 1126 139 139 GLU HB3 H 2.050 . 2 1127 139 139 GLU HG2 H 2.231 . 2 1128 139 139 GLU HG3 H 2.454 . 2 1129 139 139 GLU C C 180.393 . 1 1130 139 139 GLU CA C 59.184 . 1 1131 139 139 GLU CB C 28.678 . 1 1132 139 139 GLU N N 118.671 . 1 1133 140 140 SER H H 7.752 . 1 1134 140 140 SER HA H 4.343 . 1 1135 140 140 SER HB2 H 3.971 . 2 1136 140 140 SER HB3 H 4.067 . 2 1137 140 140 SER C C 174.836 . 1 1138 140 140 SER CA C 60.723 . 1 1139 140 140 SER CB C 62.548 . 1 1140 140 140 SER N N 118.804 . 1 1141 141 141 TRP H H 7.444 . 1 1142 141 141 TRP HA H 4.947 . 1 1143 141 141 TRP HB2 H 3.166 . 2 1144 141 141 TRP HB3 H 3.297 . 2 1145 141 141 TRP HE1 H 9.411 . 1 1146 141 141 TRP C C 176.376 . 1 1147 141 141 TRP CA C 53.543 . 1 1148 141 141 TRP CB C 30.568 . 1 1149 141 141 TRP N N 123.282 . 1 1150 141 141 TRP NE1 N 127.418 . 1 1151 142 142 ASN H H 8.277 . 1 1152 142 142 ASN HA H 4.446 . 1 1153 142 142 ASN HB2 H 2.969 . 2 1154 142 142 ASN HB3 H 3.281 . 2 1155 142 142 ASN HD21 H 7.646 . 2 1156 142 142 ASN HD22 H 6.864 . 2 1157 142 142 ASN C C 173.129 . 1 1158 142 142 ASN CA C 54.323 . 1 1159 142 142 ASN CB C 37.079 . 1 1160 142 142 ASN N N 118.036 . 1 1161 142 142 ASN ND2 N 113.238 . 1 1162 143 143 ALA H H 8.441 . 1 1163 143 143 ALA HA H 5.030 . 1 1164 143 143 ALA HB H 1.614 . 1 1165 143 143 ALA C C 176.001 . 1 1166 143 143 ALA CA C 49.991 . 1 1167 143 143 ALA CB C 22.066 . 1 1168 143 143 ALA N N 120.869 . 1 1169 144 144 ALA H H 7.912 . 1 1170 144 144 ALA HA H 4.493 . 1 1171 144 144 ALA HB H 1.372 . 1 1172 144 144 ALA C C 175.107 . 1 1173 144 144 ALA CA C 51.527 . 1 1174 144 144 ALA CB C 19.606 . 1 1175 144 144 ALA N N 123.462 . 1 1176 145 145 PHE H H 8.094 . 1 1177 145 145 PHE HA H 6.024 . 1 1178 145 145 PHE HB2 H 2.538 . 2 1179 145 145 PHE HB3 H 2.906 . 2 1180 145 145 PHE HD1 H 6.558 . 3 1181 145 145 PHE HE1 H 7.066 . 3 1182 145 145 PHE C C 174.295 . 1 1183 145 145 PHE CA C 55.913 . 1 1184 145 145 PHE CB C 43.287 . 1 1185 145 145 PHE N N 120.264 . 1 1186 146 146 LEU H H 7.664 . 1 1187 146 146 LEU HA H 3.993 . 1 1188 146 146 LEU HB2 H 1.173 . 2 1189 146 146 LEU HB3 H 1.424 . 2 1190 146 146 LEU HD1 H 0.754 . 2 1191 146 146 LEU HD2 H 0.941 . 2 1192 146 146 LEU C C 173.962 . 1 1193 146 146 LEU CA C 53.763 . 1 1194 146 146 LEU CB C 47.574 . 1 1195 146 146 LEU CD2 C 24.077 . 1 1196 146 146 LEU N N 128.648 . 1 1197 147 147 GLU H H 7.735 . 1 1198 147 147 GLU HA H 5.104 . 1 1199 147 147 GLU HB2 H 1.862 . 2 1200 147 147 GLU HB3 H 2.013 . 2 1201 147 147 GLU C C 176.126 . 1 1202 147 147 GLU CA C 54.354 . 1 1203 147 147 GLU CB C 32.668 . 1 1204 147 147 GLU N N 115.198 . 1 1205 148 148 SER H H 9.190 . 1 1206 148 148 SER HA H 4.452 . 1 1207 148 148 SER HB2 H 3.033 . 2 1208 148 148 SER HB3 H 3.686 . 2 1209 148 148 SER C C 173.129 . 1 1210 148 148 SER CA C 57.171 . 1 1211 148 148 SER CB C 67.572 . 1 1212 148 148 SER N N 115.635 . 1 1213 149 149 SER H H 8.546 . 1 1214 149 149 SER HA H 5.015 . 1 1215 149 149 SER HB2 H 3.525 . 2 1216 149 149 SER HB3 H 3.935 . 2 1217 149 149 SER C C 175.419 . 1 1218 149 149 SER CA C 57.081 . 1 1219 149 149 SER CB C 65.485 . 1 1220 149 149 SER N N 113.117 . 1 1221 150 150 ALA H H 9.596 . 1 1222 150 150 ALA HA H 4.033 . 1 1223 150 150 ALA HB H 1.481 . 1 1224 150 150 ALA C C 175.148 . 1 1225 150 150 ALA CA C 53.680 . 1 1226 150 150 ALA CB C 18.246 . 1 1227 150 150 ALA N N 132.782 . 1 1228 151 151 LYS H H 7.533 . 1 1229 151 151 LYS HA H 3.546 . 1 1230 151 151 LYS HB2 H 1.354 . 2 1231 151 151 LYS HB3 H 1.544 . 2 1232 151 151 LYS C C 175.710 . 1 1233 151 151 LYS CA C 56.920 . 1 1234 151 151 LYS CB C 32.295 . 1 1235 151 151 LYS N N 113.992 . 1 1236 152 152 GLU H H 7.749 . 1 1237 152 152 GLU CA C 53.999 . 1 1238 152 152 GLU N N 120.568 . 1 1239 153 153 ASN HA H 3.927 . 1 1240 153 153 ASN HB2 H 2.391 . 2 1241 153 153 ASN HB3 H 3.035 . 2 1242 153 153 ASN C C 175.689 . 1 1243 153 153 ASN CA C 59.303 . 1 1244 153 153 ASN CB C 40.433 . 1 1245 154 154 GLN H H 9.444 . 1 1246 154 154 GLN HA H 3.937 . 1 1247 154 154 GLN HB2 H 2.048 . 2 1248 154 154 GLN HB3 H 2.276 . 2 1249 154 154 GLN HG2 H 2.479 . 2 1250 154 154 GLN C C 177.458 . 1 1251 154 154 GLN CA C 58.589 . 1 1252 154 154 GLN CB C 27.765 . 1 1253 154 154 GLN N N 116.577 . 1 1254 155 155 THR H H 7.452 . 1 1255 155 155 THR HA H 4.428 . 1 1256 155 155 THR HB H 4.318 . 1 1257 155 155 THR HG2 H 1.415 . 1 1258 155 155 THR C C 175.190 . 1 1259 155 155 THR CA C 63.440 . 1 1260 155 155 THR CB C 68.406 . 1 1261 155 155 THR CG2 C 22.413 . 1 1262 155 155 THR N N 108.256 . 1 1263 156 156 ALA H H 7.211 . 1 1264 156 156 ALA HA H 4.066 . 1 1265 156 156 ALA HB H 1.586 . 1 1266 156 156 ALA C C 178.041 . 1 1267 156 156 ALA CA C 54.496 . 1 1268 156 156 ALA CB C 18.270 . 1 1269 156 156 ALA N N 126.099 . 1 1270 157 157 VAL H H 8.308 . 1 1271 157 157 VAL HA H 3.680 . 1 1272 157 157 VAL HB H 2.158 . 1 1273 157 157 VAL HG1 H 1.085 . 2 1274 157 157 VAL HG2 H 1.268 . 2 1275 157 157 VAL C C 177.292 . 1 1276 157 157 VAL CA C 66.431 . 1 1277 157 157 VAL CB C 31.368 . 1 1278 157 157 VAL CG1 C 17.568 . 1 1279 157 157 VAL CG2 C 22.456 . 1 1280 157 157 VAL N N 117.881 . 1 1281 158 158 ASP H H 8.026 . 1 1282 158 158 ASP HA H 4.338 . 1 1283 158 158 ASP HB2 H 2.530 . 2 1284 158 158 ASP HB3 H 2.746 . 2 1285 158 158 ASP C C 178.249 . 1 1286 158 158 ASP CA C 57.311 . 1 1287 158 158 ASP CB C 39.874 . 1 1288 158 158 ASP N N 118.453 . 1 1289 159 159 VAL H H 7.258 . 1 1290 159 159 VAL HA H 3.205 . 1 1291 159 159 VAL HB H 1.944 . 1 1292 159 159 VAL HG1 H 0.019 . 2 1293 159 159 VAL HG2 H 0.863 . 2 1294 159 159 VAL C C 175.231 . 1 1295 159 159 VAL CA C 66.124 . 1 1296 159 159 VAL CB C 31.097 . 1 1297 159 159 VAL CG1 C 20.532 . 1 1298 159 159 VAL CG2 C 22.940 . 1 1299 159 159 VAL N N 119.948 . 1 1300 160 160 PHE H H 6.775 . 1 1301 160 160 PHE HA H 3.740 . 1 1302 160 160 PHE HB2 H 1.482 . 2 1303 160 160 PHE HB3 H 2.062 . 2 1304 160 160 PHE C C 176.896 . 1 1305 160 160 PHE CA C 61.380 . 1 1306 160 160 PHE CB C 37.861 . 1 1307 160 160 PHE N N 116.362 . 1 1308 161 161 ARG H H 8.582 . 1 1309 161 161 ARG HA H 3.747 . 1 1310 161 161 ARG HB2 H 1.810 . 2 1311 161 161 ARG HB3 H 1.810 . 2 1312 161 161 ARG C C 177.854 . 1 1313 161 161 ARG CA C 59.643 . 1 1314 161 161 ARG CB C 30.060 . 1 1315 161 161 ARG N N 118.103 . 1 1316 162 162 ARG H H 7.911 . 1 1317 162 162 ARG HA H 4.181 . 1 1318 162 162 ARG HB2 H 1.734 . 2 1319 162 162 ARG HB3 H 1.968 . 2 1320 162 162 ARG C C 178.520 . 1 1321 162 162 ARG CA C 57.503 . 1 1322 162 162 ARG CB C 27.852 . 1 1323 162 162 ARG N N 117.661 . 1 1324 163 163 ILE H H 7.591 . 1 1325 163 163 ILE HA H 4.156 . 1 1326 163 163 ILE HB H 1.643 . 1 1327 163 163 ILE HG2 H 1.087 . 1 1328 163 163 ILE C C 175.585 . 1 1329 163 163 ILE CA C 60.586 . 1 1330 163 163 ILE CB C 36.557 . 1 1331 163 163 ILE N N 119.028 . 1 1332 164 164 ILE H H 6.958 . 1 1333 164 164 ILE HA H 3.475 . 1 1334 164 164 ILE HB H 1.951 . 1 1335 164 164 ILE HD1 H 0.463 . 1 1336 164 164 ILE HG2 H 0.116 . 1 1337 164 164 ILE C C 177.625 . 1 1338 164 164 ILE CA C 63.327 . 1 1339 164 164 ILE CB C 35.238 . 1 1340 164 164 ILE CD1 C 11.649 . 1 1341 164 164 ILE N N 124.386 . 1 1342 165 165 LEU H H 7.894 . 1 1343 165 165 LEU HA H 3.985 . 1 1344 165 165 LEU HB2 H 1.543 . 2 1345 165 165 LEU HB3 H 1.945 . 2 1346 165 165 LEU HD1 H 0.819 . 2 1347 165 165 LEU HD2 H 0.856 . 2 1348 165 165 LEU HG H 1.737 . 1 1349 165 165 LEU C C 180.289 . 1 1350 165 165 LEU CA C 57.897 . 1 1351 165 165 LEU CB C 40.900 . 1 1352 165 165 LEU CD1 C 22.554 . 1 1353 165 165 LEU CD2 C 24.883 . 1 1354 165 165 LEU N N 121.353 . 1 1355 166 166 GLU H H 8.511 . 1 1356 166 166 GLU HA H 4.115 . 1 1357 166 166 GLU HB2 H 2.103 . 2 1358 166 166 GLU HB3 H 2.222 . 2 1359 166 166 GLU C C 179.532 . 1 1360 166 166 GLU CA C 58.112 . 1 1361 166 166 GLU CB C 28.930 . 1 1362 166 166 GLU N N 120.121 . 1 1363 167 167 ALA H H 8.221 . 1 1364 167 167 ALA HA H 4.119 . 1 1365 167 167 ALA HB H 1.518 . 1 1366 167 167 ALA C C 179.040 . 1 1367 167 167 ALA CA C 54.655 . 1 1368 167 167 ALA CB C 16.710 . 1 1369 167 167 ALA N N 123.285 . 1 1370 168 168 GLU H H 8.201 . 1 1371 168 168 GLU C C 178.624 . 1 1372 168 168 GLU CA C 58.088 . 1 1373 168 168 GLU CB C 29.238 . 1 1374 168 168 GLU N N 118.421 . 1 1375 169 169 LYS H H 7.737 . 1 1376 169 169 LYS C C 178.187 . 1 1377 169 169 LYS CA C 58.431 . 1 1378 169 169 LYS CB C 32.003 . 1 1379 169 169 LYS N N 120.624 . 1 1380 170 170 ILE H H 7.691 . 1 1381 170 170 ILE HA H 3.966 . 1 1382 170 170 ILE HB H 1.967 . 1 1383 170 170 ILE C C 177.105 . 1 1384 170 170 ILE CA C 62.817 . 1 1385 170 170 ILE CB C 37.921 . 1 1386 170 170 ILE N N 120.387 . 1 1387 171 171 ASP H H 8.326 . 1 1388 171 171 ASP HA H 4.615 . 1 1389 171 171 ASP HB2 H 2.769 . 2 1390 171 171 ASP HB3 H 2.769 . 2 1391 171 171 ASP C C 177.687 . 1 1392 171 171 ASP CA C 55.560 . 1 1393 171 171 ASP CB C 40.534 . 1 1394 171 171 ASP N N 122.538 . 1 1395 172 172 GLY H H 8.193 . 1 1396 172 172 GLY HA2 H 4.000 . 2 1397 172 172 GLY HA3 H 4.046 . 2 1398 172 172 GLY C C 174.461 . 1 1399 172 172 GLY CA C 45.562 . 1 1400 172 172 GLY N N 108.962 . 1 1401 173 173 ALA H H 7.991 . 1 1402 173 173 ALA HA H 4.373 . 1 1403 173 173 ALA HB H 1.500 . 1 1404 173 173 ALA C C 177.958 . 1 1405 173 173 ALA CA C 52.746 . 1 1406 173 173 ALA CB C 18.500 . 1 1407 173 173 ALA N N 124.736 . 1 1408 174 174 ALA H H 8.182 . 1 1409 174 174 ALA CA C 58.302 . 1 1410 174 174 ALA N N 114.853 . 1 stop_ save_