data_15202 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Rub184b ; _BMRB_accession_number 15202 _BMRB_flat_file_name bmr15202.str _Entry_type original _Submission_date 2007-04-04 _Accession_date 2007-04-04 _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 Schwarten Melanie . . 2 Berghaus Carsten . . 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" 243 "13C chemical shifts" 379 "15N chemical shifts" 131 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-31 update BMRB 'add PubMed ID' 2008-10-16 update BMRB 'complete entry citation' 2007-08-23 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 activated 21 kDa GTPase rRheb' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636840 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schwarten Melanie . . 2 Berghaus Carsten . . 3 Heumann Rolf . . 4 Stoll Raphael . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular 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 105 _Page_last 108 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Rub184_GppNHp _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Rub184_GppNHp $Rub184_GppNHp GppNHp $GNP Mg2+ $MG stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Rub184_GppNHp _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Rub184_GppNHp _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 15048 Rub184 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_GNP _Saveframe_category ligand _Mol_type non-polymer _Name_common "GNP (PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER)" _BMRB_code . _PDB_code GNP _Molecular_mass 522.196 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 03:02:30 2006 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1' C1' C R 0 . ? C2 C2 C N 0 . ? C2' C2' C R 0 . ? C3' C3' C S 0 . ? C4 C4 C N 0 . ? C4' C4' C R 0 . ? C5 C5 C N 0 . ? C5' C5' C N 0 . ? C6 C6 C N 0 . ? C8 C8 C N 0 . ? H1' H1' H N 0 . ? H2' H2' H N 0 . ? H3' H3' H N 0 . ? H4' H4' H N 0 . ? H5'1 H5'1 H N 0 . ? H5'2 H5'2 H N 0 . ? H8 H8 H N 0 . ? HN1 HN1 H N 0 . ? HN21 HN21 H N 0 . ? HN22 HN22 H N 0 . ? HNB3 HNB3 H N 0 . ? HO2' HO2' H N 0 . ? HO3' HO3' H N 0 . ? HOA2 HOA2 H N 0 . ? HOB2 HOB2 H N 0 . ? HOG2 HOG2 H N 0 . ? HOG3 HOG3 H N 0 . ? N1 N1 N N 0 . ? N2 N2 N N 0 . ? N3 N3 N N 0 . ? N3B N3B N N 0 . ? N7 N7 N N 0 . ? N9 N9 N N 0 . ? O1A O1A O N 0 . ? O1B O1B O N 0 . ? O1G O1G O N 0 . ? O2' O2' O N 0 . ? O2A O2A O N 0 . ? O2B O2B O N 0 . ? O2G O2G O N 0 . ? O3' O3' O N 0 . ? O3A O3A O N 0 . ? O3G O3G O N 0 . ? O4' O4' O N 0 . ? O5' O5' O N 0 . ? O6 O6 O N 0 . ? PA PA P S 0 . ? PB PB P R 0 . ? PG PG P N 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 N3B ? ? SING O2G HOG2 ? ? SING O3G HOG3 ? ? SING N3B PB ? ? SING N3B HNB3 ? ? DOUB PB O1B ? ? SING PB O2B ? ? SING PB O3A ? ? SING O2B HOB2 ? ? SING O3A PA ? ? DOUB PA O1A ? ? SING PA O2A ? ? SING PA O5' ? ? SING O2A HOA2 ? ? SING O5' C5' ? ? SING C5' C4' ? ? SING C5' H5'2 ? ? SING C5' H5'1 ? ? 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_ save_MG _Saveframe_category ligand _Mol_type non-polymer _Name_common "MG (MAGNESIUM ION)" _BMRB_code . _PDB_code MG _Molecular_mass 24.305 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 04:02:19 2006 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons MG MG MG N 2 . ? 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 $Rub184_GppNHp 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 $Rub184_GppNHp 'recombinant technology' . Escherichia coli . pQE-30 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Rub184_GppNHp_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rub184_GppNHp 1.0 mM [U-15N] 'potassium phosphate' 20 mM 'natural abundance' 'sodium chloride' 10 mM 'natural abundance' 'magnesium chloride' 5 mM 'natural abundance' DTT 1 mM 'natural abundance' TSP 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_Rub184_GppNHp_15N13C _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rub184_GppNHp 1.0 mM '[U-13C; U-15N]' 'potassium phosphate' 20 mM 'natural abundance' 'sodium chloride' 10 mM 'natural abundance' 'magnesium chloride' 5 mM 'natural abundance' DTT 1 mM 'natural abundance' TSP 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address '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_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $Rub184_GppNHp_15N save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $Rub184_GppNHp_15N13C save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $Rub184_GppNHp_15N13C save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $Rub184_GppNHp_15N13C save_ save_3D_HNHA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $Rub184_GppNHp_15N13C save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $Rub184_GppNHp_15N save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _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_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio TSP C 13 'methyl carbon' ppm 0 internal direct . . . 1 TSP H 1 'methyl protons' ppm 0 internal direct . . . 1 TSP N 15 'methyl protons' ppm 0 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 HNCA' '3D CBCA(CO)NH' '3D HNHA' stop_ loop_ _Sample_label $Rub184_GppNHp_15N $Rub184_GppNHp_15N13C stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Rub184_GppNHp _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 4.532 0.02 1 2 5 5 LYS C C 175.415 0.05 1 3 5 5 LYS CA C 55.288 0.05 1 4 5 5 LYS CB C 34.069 0.05 1 5 6 6 SER H H 8.750 0.02 1 6 6 6 SER HA H 5.607 0.02 1 7 6 6 SER C C 175.375 0.05 1 8 6 6 SER CA C 57.304 0.05 1 9 6 6 SER CB C 63.595 0.05 1 10 6 6 SER N N 120.326 0.05 1 11 7 7 ARG H H 8.742 0.02 1 12 7 7 ARG HA H 4.855 0.02 1 13 7 7 ARG C C 172.954 0.05 1 14 7 7 ARG CA C 53.047 0.05 1 15 7 7 ARG CB C 34.404 0.05 1 16 7 7 ARG N N 125.477 0.05 1 17 8 8 LYS H H 9.368 0.02 1 18 8 8 LYS HA H 5.550 0.02 1 19 8 8 LYS C C 174.495 0.05 1 20 8 8 LYS CA C 54.655 0.05 1 21 8 8 LYS CB C 34.083 0.05 1 22 8 8 LYS N N 126.432 0.05 1 23 9 9 ILE H H 9.093 0.02 1 24 9 9 ILE HA H 4.891 0.02 1 25 9 9 ILE C C 173.689 0.05 1 26 9 9 ILE CA C 56.805 0.05 1 27 9 9 ILE CB C 40.392 0.05 1 28 9 9 ILE N N 128.676 0.05 1 29 10 10 ALA H H 7.718 0.02 1 30 10 10 ALA HA H 4.891 0.02 1 31 10 10 ALA C C 174.608 0.05 1 32 10 10 ALA CA C 49.786 0.05 1 33 10 10 ALA CB C 20.463 0.05 1 34 10 10 ALA N N 127.430 0.05 1 35 11 11 ILE H H 8.606 0.02 1 36 11 11 ILE HA H 5.380 0.02 1 37 11 11 ILE C C 174.693 0.05 1 38 11 11 ILE CA C 61.202 0.05 1 39 11 11 ILE N N 123.691 0.05 1 40 12 12 LEU H H 9.465 0.02 1 41 12 12 LEU HA H 4.779 0.02 1 42 12 12 LEU C C 175.060 0.05 1 43 12 12 LEU CA C 53.391 0.05 1 44 12 12 LEU CB C 46.878 0.05 1 45 12 12 LEU N N 127.530 0.05 1 46 13 13 GLY H H 9.086 0.02 1 47 13 13 GLY HA2 H 4.236 0.02 2 48 13 13 GLY HA3 H 4.236 0.02 2 49 13 13 GLY C C 171.936 0.05 1 50 13 13 GLY CA C 45.492 0.05 1 51 13 13 GLY N N 105.649 0.05 1 52 14 14 TYR H H 9.526 0.02 1 53 14 14 TYR HA H 4.906 0.02 1 54 14 14 TYR CA C 56.208 0.05 1 55 14 14 TYR N N 121.285 0.05 1 56 15 15 ARG C C 176.408 0.05 1 57 15 15 ARG CA C 56.366 0.05 1 58 15 15 ARG CB C 32.259 0.05 1 59 16 16 SER H H 8.604 0.02 1 60 16 16 SER HA H 4.846 0.02 1 61 16 16 SER C C 173.476 0.05 1 62 16 16 SER CA C 59.389 0.05 1 63 16 16 SER CB C 61.731 0.05 1 64 16 16 SER N N 114.276 0.05 1 65 17 17 VAL H H 7.391 0.02 1 66 17 17 VAL HA H 4.011 0.02 1 67 17 17 VAL C C 173.854 0.05 1 68 17 17 VAL CA C 62.071 0.05 1 69 17 17 VAL N N 111.472 0.05 1 70 18 18 GLY H H 8.289 0.02 1 71 18 18 GLY HA2 H 4.577 0.02 2 72 18 18 GLY HA3 H 4.577 0.02 2 73 18 18 GLY C C 173.115 0.05 1 74 18 18 GLY CA C 45.284 0.05 1 75 18 18 GLY N N 108.021 0.05 1 76 19 19 LYS H H 8.927 0.02 1 77 19 19 LYS HA H 5.451 0.02 1 78 19 19 LYS C C 178.631 0.05 1 79 19 19 LYS CA C 61.029 0.05 1 80 19 19 LYS CB C 29.188 0.05 1 81 19 19 LYS N N 123.928 0.05 1 82 20 20 SER H H 9.656 0.02 1 83 20 20 SER HA H 4.336 0.02 1 84 20 20 SER C C 175.574 0.05 1 85 20 20 SER CA C 61.158 0.05 1 86 20 20 SER N N 120.185 0.05 1 87 21 21 SER H H 9.018 0.02 1 88 21 21 SER C C 177.307 0.05 1 89 21 21 SER CA C 62.407 0.05 1 90 21 21 SER N N 119.942 0.05 1 91 22 22 LEU H H 9.057 0.02 1 92 22 22 LEU C C 177.169 0.05 1 93 22 22 LEU CA C 58.530 0.05 1 94 22 22 LEU CB C 42.571 0.05 1 95 22 22 LEU N N 125.999 0.05 1 96 23 23 THR H H 7.604 0.02 1 97 23 23 THR HA H 3.669 0.02 1 98 23 23 THR C C 173.317 0.05 1 99 23 23 THR CA C 67.948 0.05 1 100 23 23 THR N N 117.421 0.05 1 101 24 24 ILE H H 9.088 0.02 1 102 24 24 ILE C C 178.365 0.05 1 103 24 24 ILE CA C 65.132 0.05 1 104 24 24 ILE N N 123.049 0.05 1 105 25 25 GLN H H 8.057 0.02 1 106 25 25 GLN HA H 4.180 0.02 1 107 25 25 GLN C C 177.202 0.05 1 108 25 25 GLN CA C 58.546 0.05 1 109 25 25 GLN CB C 29.840 0.05 1 110 25 25 GLN N N 122.742 0.05 1 111 26 26 PHE H H 7.659 0.02 1 112 26 26 PHE C C 176.153 0.05 1 113 26 26 PHE CA C 59.385 0.05 1 114 26 26 PHE CB C 39.286 0.05 1 115 26 26 PHE N N 117.838 0.05 1 116 27 27 VAL H H 8.813 0.02 1 117 27 27 VAL C C 176.716 0.05 1 118 27 27 VAL CA C 66.390 0.05 1 119 27 27 VAL CB C 32.070 0.05 1 120 27 27 VAL N N 117.732 0.05 1 121 28 28 GLU H H 8.949 0.02 1 122 28 28 GLU HA H 4.529 0.02 1 123 28 28 GLU C C 177.421 0.05 1 124 28 28 GLU CA C 55.264 0.05 1 125 28 28 GLU CB C 31.271 0.05 1 126 28 28 GLU N N 116.546 0.05 1 127 29 29 GLY H H 7.769 0.02 1 128 29 29 GLY HA2 H 4.261 0.02 2 129 29 29 GLY C C 173.603 0.05 1 130 29 29 GLY CA C 46.290 0.05 1 131 29 29 GLY N N 110.465 0.05 1 132 30 30 GLN H H 6.515 0.02 1 133 30 30 GLN C C 173.185 0.05 1 134 30 30 GLN CA C 52.790 0.05 1 135 30 30 GLN N N 114.042 0.05 1 136 31 31 PHE H H 8.575 0.02 1 137 31 31 PHE HA H 4.936 0.02 1 138 31 31 PHE CA C 55.937 0.05 1 139 31 31 PHE N N 122.680 0.05 1 140 43 43 PHE C C 174.343 0.05 1 141 43 43 PHE CA C 55.572 0.05 1 142 43 43 PHE CB C 43.373 0.05 1 143 44 44 THR H H 8.724 0.02 1 144 44 44 THR HA H 5.536 0.02 1 145 44 44 THR C C 172.997 0.05 1 146 44 44 THR CA C 59.698 0.05 1 147 44 44 THR CB C 71.244 0.05 1 148 44 44 THR N N 114.556 0.05 1 149 45 45 LYS H H 8.365 0.02 1 150 45 45 LYS HA H 4.393 0.02 1 151 45 45 LYS C C 172.732 0.05 1 152 45 45 LYS CA C 54.851 0.05 1 153 45 45 LYS CB C 42.255 0.05 1 154 45 45 LYS N N 122.969 0.05 1 155 46 46 LEU H H 8.330 0.02 1 156 46 46 LEU HA H 5.395 0.02 1 157 46 46 LEU C C 176.122 0.05 1 158 46 46 LEU CA C 53.794 0.05 1 159 46 46 LEU CB C 42.520 0.05 1 160 46 46 LEU N N 129.370 0.05 1 161 47 47 ILE H H 9.011 0.02 1 162 47 47 ILE HA H 4.764 0.02 1 163 47 47 ILE C C 172.126 0.05 1 164 47 47 ILE CA C 59.473 0.05 1 165 47 47 ILE CB C 41.934 0.05 1 166 47 47 ILE N N 122.322 0.05 1 167 48 48 THR H H 8.603 0.02 1 168 48 48 THR C C 174.229 0.05 1 169 48 48 THR CA C 61.161 0.05 1 170 48 48 THR CB C 68.921 0.05 1 171 48 48 THR N N 123.375 0.05 1 172 49 49 VAL H H 9.216 0.02 1 173 49 49 VAL HA H 4.298 0.02 1 174 49 49 VAL CA C 61.353 0.05 1 175 49 49 VAL N N 127.588 0.05 1 176 50 50 ASN C C 175.060 0.05 1 177 50 50 ASN CA C 53.578 0.05 1 178 50 50 ASN CB C 36.556 0.05 1 179 51 51 GLY H H 8.569 0.02 1 180 51 51 GLY HA2 H 4.155 0.02 2 181 51 51 GLY HA3 H 4.155 0.02 2 182 51 51 GLY C C 172.590 0.05 1 183 51 51 GLY CA C 45.028 0.05 1 184 51 51 GLY N N 103.737 0.05 1 185 52 52 GLN H H 7.782 0.02 1 186 52 52 GLN HA H 4.523 0.02 1 187 52 52 GLN C C 172.857 0.05 1 188 52 52 GLN CA C 53.047 0.05 1 189 52 52 GLN CB C 30.689 0.05 1 190 52 52 GLN N N 121.602 0.05 1 191 53 53 GLU H H 8.677 0.02 1 192 53 53 GLU HA H 4.683 0.02 1 193 53 53 GLU C C 175.399 0.05 1 194 53 53 GLU CA C 56.433 0.05 1 195 53 53 GLU CB C 30.774 0.05 1 196 53 53 GLU N N 126.820 0.05 1 197 54 54 TYR H H 9.567 0.02 1 198 54 54 TYR HA H 5.165 0.02 1 199 54 54 TYR C C 173.800 0.05 1 200 54 54 TYR CA C 57.056 0.05 1 201 54 54 TYR CB C 41.008 0.05 1 202 54 54 TYR N N 125.614 0.05 1 203 55 55 HIS H H 8.982 0.02 1 204 55 55 HIS HA H 4.866 0.02 1 205 55 55 HIS C C 173.965 0.05 1 206 55 55 HIS CA C 55.047 0.05 1 207 55 55 HIS CB C 30.565 0.05 1 208 55 55 HIS N N 124.287 0.05 1 209 56 56 LEU H H 8.980 0.02 1 210 56 56 LEU HA H 5.124 0.02 1 211 56 56 LEU C C 175.626 0.05 1 212 56 56 LEU CA C 53.422 0.05 1 213 56 56 LEU CB C 43.052 0.05 1 214 56 56 LEU N N 126.368 0.05 1 215 57 57 GLN H H 8.770 0.02 1 216 57 57 GLN HA H 4.946 0.02 1 217 57 57 GLN C C 173.504 0.05 1 218 57 57 GLN CA C 54.430 0.05 1 219 57 57 GLN CB C 30.123 0.05 1 220 57 57 GLN N N 123.384 0.05 1 221 58 58 LEU H H 9.365 0.02 1 222 58 58 LEU HA H 5.112 0.02 1 223 58 58 LEU C C 174.491 0.05 1 224 58 58 LEU CA C 52.518 0.05 1 225 58 58 LEU CB C 41.979 0.05 1 226 58 58 LEU N N 126.135 0.05 1 227 59 59 VAL H H 9.269 0.02 1 228 59 59 VAL HA H 4.413 0.02 1 229 59 59 VAL CA C 61.886 0.05 1 230 59 59 VAL N N 125.433 0.05 1 231 77 77 ASP C C 173.596 0.05 1 232 77 77 ASP CB C 40.340 0.05 1 233 78 78 ILE HA H 3.961 0.02 1 234 78 78 ILE C C 175.956 0.05 1 235 78 78 ILE CA C 59.006 0.05 1 236 78 78 ILE CB C 37.168 0.05 1 237 79 79 ASN H H 9.302 0.02 1 238 79 79 ASN HA H 4.878 0.02 1 239 79 79 ASN C C 173.484 0.05 1 240 79 79 ASN CA C 54.643 0.05 1 241 79 79 ASN CB C 40.935 0.05 1 242 79 79 ASN N N 123.248 0.05 1 243 80 80 GLY H H 7.130 0.02 1 244 80 80 GLY HA2 H 4.464 0.02 2 245 80 80 GLY HA3 H 3.514 0.02 2 246 80 80 GLY C C 168.712 0.05 1 247 80 80 GLY CA C 45.442 0.05 1 248 80 80 GLY N N 104.115 0.05 1 249 81 81 TYR H H 8.383 0.02 1 250 81 81 TYR HA H 5.288 0.02 1 251 81 81 TYR C C 173.292 0.05 1 252 81 81 TYR CA C 57.198 0.05 1 253 81 81 TYR CB C 41.960 0.05 1 254 81 81 TYR N N 119.270 0.05 1 255 82 82 ILE H H 9.070 0.02 1 256 82 82 ILE HA H 4.543 0.02 1 257 82 82 ILE C C 172.903 0.05 1 258 82 82 ILE CA C 59.807 0.05 1 259 82 82 ILE CB C 38.414 0.05 1 260 82 82 ILE N N 122.750 0.05 1 261 83 83 LEU H H 9.389 0.02 1 262 83 83 LEU HA H 4.998 0.02 1 263 83 83 LEU C C 173.561 0.05 1 264 83 83 LEU CA C 53.924 0.05 1 265 83 83 LEU CB C 40.985 0.05 1 266 83 83 LEU N N 132.278 0.05 1 267 84 84 VAL H H 9.149 0.02 1 268 84 84 VAL HA H 5.234 0.02 1 269 84 84 VAL C C 175.267 0.05 1 270 84 84 VAL CA C 60.353 0.05 1 271 84 84 VAL CB C 33.475 0.05 1 272 84 84 VAL N N 124.287 0.05 1 273 85 85 TYR H H 9.315 0.02 1 274 85 85 TYR HA H 5.061 0.02 1 275 85 85 TYR C C 171.762 0.05 1 276 85 85 TYR CA C 55.553 0.05 1 277 85 85 TYR CB C 39.524 0.05 1 278 85 85 TYR N N 124.520 0.05 1 279 86 86 SER H H 9.196 0.02 1 280 86 86 SER HA H 5.098 0.02 1 281 86 86 SER C C 176.765 0.05 1 282 86 86 SER CA C 53.753 0.05 1 283 86 86 SER CB C 64.325 0.05 1 284 86 86 SER N N 113.420 0.05 1 285 87 87 VAL H H 8.999 0.02 1 286 87 87 VAL HA H 4.740 0.02 1 287 87 87 VAL C C 175.245 0.05 1 288 87 87 VAL CA C 63.320 0.05 1 289 87 87 VAL CB C 30.008 0.05 1 290 87 87 VAL N N 121.569 0.05 1 291 88 88 THR H H 8.408 0.02 1 292 88 88 THR HA H 4.835 0.02 1 293 88 88 THR C C 174.206 0.05 1 294 88 88 THR CA C 60.931 0.05 1 295 88 88 THR CB C 68.519 0.05 1 296 88 88 THR N N 111.417 0.05 1 297 89 89 SER H H 7.806 0.02 1 298 89 89 SER HA H 5.158 0.02 1 299 89 89 SER C C 174.852 0.05 1 300 89 89 SER CA C 54.969 0.05 1 301 89 89 SER CB C 63.355 0.05 1 302 89 89 SER N N 117.311 0.05 1 303 90 90 ILE H H 9.144 0.02 1 304 90 90 ILE HA H 3.974 0.02 1 305 90 90 ILE C C 177.927 0.05 1 306 90 90 ILE CA C 64.225 0.05 1 307 90 90 ILE CB C 37.100 0.05 1 308 90 90 ILE N N 134.264 0.05 1 309 91 91 LYS H H 8.574 0.02 1 310 91 91 LYS C C 177.819 0.05 1 311 91 91 LYS CA C 57.447 0.05 1 312 91 91 LYS CB C 31.506 0.05 1 313 91 91 LYS N N 122.680 0.05 1 314 92 92 SER H H 8.355 0.02 1 315 92 92 SER HA H 4.365 0.02 1 316 92 92 SER C C 174.900 0.05 1 317 92 92 SER CA C 61.179 0.05 1 318 92 92 SER CB C 62.700 0.05 1 319 92 92 SER N N 114.351 0.05 1 320 93 93 PHE H H 7.759 0.02 1 321 93 93 PHE HA H 4.212 0.02 1 322 93 93 PHE C C 175.429 0.05 1 323 93 93 PHE CA C 59.436 0.05 1 324 93 93 PHE CB C 40.630 0.05 1 325 93 93 PHE N N 131.459 0.05 1 326 94 94 GLU H H 8.337 0.02 1 327 94 94 GLU HA H 3.919 0.02 1 328 94 94 GLU C C 181.043 0.05 1 329 94 94 GLU CA C 58.886 0.05 1 330 94 94 GLU CB C 28.865 0.05 1 331 94 94 GLU N N 119.312 0.05 1 332 95 95 VAL H H 8.822 0.02 1 333 95 95 VAL C C 177.860 0.05 1 334 95 95 VAL CA C 66.220 0.05 1 335 95 95 VAL N N 118.336 0.05 1 336 96 96 ILE H H 7.909 0.02 1 337 96 96 ILE HA H 4.519 0.02 1 338 96 96 ILE C C 176.290 0.05 1 339 96 96 ILE CA C 60.324 0.05 1 340 96 96 ILE CB C 38.145 0.05 1 341 96 96 ILE N N 122.912 0.05 1 342 97 97 LYS H H 7.034 0.02 1 343 97 97 LYS C C 178.955 0.05 1 344 97 97 LYS CA C 59.677 0.05 1 345 97 97 LYS CB C 32.276 0.05 1 346 97 97 LYS N N 121.127 0.05 1 347 98 98 VAL H H 7.242 0.02 1 348 98 98 VAL HA H 3.789 0.02 1 349 98 98 VAL C C 178.953 0.05 1 350 98 98 VAL CA C 65.442 0.05 1 351 98 98 VAL CB C 31.107 0.05 1 352 98 98 VAL N N 122.449 0.05 1 353 99 99 ILE H H 8.772 0.02 1 354 99 99 ILE C C 176.375 0.05 1 355 99 99 ILE CA C 65.740 0.05 1 356 99 99 ILE N N 122.196 0.05 1 357 100 100 HIS H H 6.193 0.02 1 358 100 100 HIS C C 175.069 0.05 1 359 100 100 HIS CA C 60.895 0.05 1 360 100 100 HIS CB C 29.542 0.05 1 361 100 100 HIS N N 118.323 0.05 1 362 101 101 GLY H H 7.465 0.02 1 363 101 101 GLY HA2 H 3.858 0.02 2 364 101 101 GLY HA3 H 3.858 0.02 2 365 101 101 GLY C C 175.791 0.05 1 366 101 101 GLY CA C 46.919 0.05 1 367 101 101 GLY N N 104.395 0.05 1 368 102 102 LYS H H 7.715 0.02 1 369 102 102 LYS CA C 59.053 0.05 1 370 102 102 LYS N N 122.197 0.05 1 371 104 104 LEU C C 179.895 0.05 1 372 104 104 LEU CA C 57.053 0.05 1 373 104 104 LEU CB C 39.937 0.05 1 374 105 105 ASP H H 7.473 0.02 1 375 105 105 ASP C C 177.437 0.05 1 376 105 105 ASP CA C 56.343 0.05 1 377 105 105 ASP CB C 39.669 0.05 1 378 105 105 ASP N N 119.254 0.05 1 379 106 106 MET H H 7.549 0.02 1 380 106 106 MET C C 177.804 0.05 1 381 106 106 MET CA C 57.058 0.05 1 382 106 106 MET CB C 32.465 0.05 1 383 106 106 MET N N 118.413 0.05 1 384 107 107 VAL H H 8.171 0.02 1 385 107 107 VAL HA H 4.236 0.02 1 386 107 107 VAL C C 177.010 0.05 1 387 107 107 VAL CA C 62.827 0.05 1 388 107 107 VAL CB C 31.763 0.05 1 389 107 107 VAL N N 114.714 0.05 1 390 108 108 GLY H H 7.891 0.02 1 391 108 108 GLY HA2 H 4.035 0.02 2 392 108 108 GLY HA3 H 3.816 0.02 2 393 108 108 GLY C C 176.369 0.05 1 394 108 108 GLY CA C 45.588 0.05 1 395 108 108 GLY N N 109.710 0.05 1 396 109 109 LYS H H 8.138 0.02 1 397 109 109 LYS C C 175.548 0.05 1 398 109 109 LYS CA C 57.641 0.05 1 399 109 109 LYS CB C 31.944 0.05 1 400 109 109 LYS N N 118.303 0.05 1 401 110 110 VAL H H 7.618 0.02 1 402 110 110 VAL HA H 4.164 0.02 1 403 110 110 VAL C C 174.997 0.05 1 404 110 110 VAL CA C 61.457 0.05 1 405 110 110 VAL CB C 32.659 0.05 1 406 110 110 VAL N N 119.100 0.05 1 407 111 111 GLN H H 8.341 0.02 1 408 111 111 GLN HA H 4.444 0.02 1 409 111 111 GLN C C 174.258 0.05 1 410 111 111 GLN CA C 55.435 0.05 1 411 111 111 GLN CB C 28.334 0.05 1 412 111 111 GLN N N 123.552 0.05 1 413 112 112 ILE H H 7.953 0.02 1 414 112 112 ILE HA H 4.835 0.02 1 415 112 112 ILE CA C 57.081 0.05 1 416 112 112 ILE N N 123.148 0.05 1 417 113 113 PRO C C 174.797 0.05 1 418 113 113 PRO CA C 62.533 0.05 1 419 113 113 PRO CB C 30.774 0.05 1 420 114 114 ILE H H 8.560 0.02 1 421 114 114 ILE HA H 5.220 0.02 1 422 114 114 ILE C C 173.832 0.05 1 423 114 114 ILE CA C 59.495 0.05 1 424 114 114 ILE CB C 41.681 0.05 1 425 114 114 ILE N N 125.454 0.05 1 426 115 115 MET H H 8.598 0.02 1 427 115 115 MET HA H 5.065 0.02 1 428 115 115 MET C C 171.647 0.05 1 429 115 115 MET CA C 53.103 0.05 1 430 115 115 MET CB C 36.637 0.05 1 431 115 115 MET N N 125.496 0.05 1 432 116 116 LEU H H 9.196 0.02 1 433 116 116 LEU HA H 5.518 0.02 1 434 116 116 LEU C C 173.207 0.05 1 435 116 116 LEU CA C 53.277 0.05 1 436 116 116 LEU CB C 44.367 0.05 1 437 116 116 LEU N N 130.707 0.05 1 438 117 117 VAL H H 9.188 0.02 1 439 117 117 VAL HA H 5.076 0.02 1 440 117 117 VAL C C 173.561 0.05 1 441 117 117 VAL CA C 59.030 0.05 1 442 117 117 VAL CB C 35.732 0.05 1 443 117 117 VAL N N 126.044 0.05 1 444 118 118 GLY H H 7.888 0.02 1 445 118 118 GLY C C 171.130 0.05 1 446 118 118 GLY CA C 44.252 0.05 1 447 118 118 GLY N N 113.154 0.05 1 448 119 119 ASN H H 8.918 0.02 1 449 119 119 ASN HA H 5.447 0.02 1 450 119 119 ASN C C 173.637 0.05 1 451 119 119 ASN CA C 51.319 0.05 1 452 119 119 ASN CB C 40.717 0.05 1 453 119 119 ASN N N 123.748 0.05 1 454 120 120 LYS H H 7.133 0.02 1 455 120 120 LYS HA H 4.225 0.02 1 456 120 120 LYS C C 177.151 0.05 1 457 120 120 LYS CA C 57.634 0.05 1 458 120 120 LYS CB C 28.728 0.05 1 459 120 120 LYS N N 111.557 0.05 1 460 121 121 LYS H H 8.497 0.02 1 461 121 121 LYS C C 174.891 0.05 1 462 121 121 LYS CA C 57.651 0.05 1 463 121 121 LYS CB C 31.041 0.05 1 464 121 121 LYS N N 115.934 0.05 1 465 122 122 ASP H H 8.501 0.02 1 466 122 122 ASP HA H 4.518 0.02 1 467 122 122 ASP C C 176.070 0.05 1 468 122 122 ASP CA C 54.293 0.05 1 469 122 122 ASP CB C 40.303 0.05 1 470 122 122 ASP N N 116.561 0.05 1 471 123 123 LEU H H 7.666 0.02 1 472 123 123 LEU HA H 4.707 0.02 1 473 123 123 LEU C C 177.451 0.05 1 474 123 123 LEU CA C 52.164 0.05 1 475 123 123 LEU CB C 38.121 0.05 1 476 123 123 LEU N N 124.903 0.05 1 477 124 124 HIS H H 7.522 0.02 1 478 124 124 HIS HA H 4.121 0.02 1 479 124 124 HIS C C 177.975 0.05 1 480 124 124 HIS CA C 58.948 0.05 1 481 124 124 HIS CB C 30.501 0.05 1 482 124 124 HIS N N 120.308 0.05 1 483 125 125 MET H H 8.583 0.02 1 484 125 125 MET HA H 4.414 0.02 1 485 125 125 MET C C 176.669 0.05 1 486 125 125 MET CA C 56.316 0.05 1 487 125 125 MET CB C 30.705 0.05 1 488 125 125 MET N N 117.839 0.05 1 489 126 126 GLU H H 7.699 0.02 1 490 126 126 GLU HA H 4.423 0.02 1 491 126 126 GLU C C 174.917 0.05 1 492 126 126 GLU CA C 54.995 0.05 1 493 126 126 GLU CB C 30.569 0.05 1 494 126 126 GLU N N 118.194 0.05 1 495 127 127 ARG H H 6.965 0.02 1 496 127 127 ARG HA H 3.721 0.02 1 497 127 127 ARG C C 176.235 0.05 1 498 127 127 ARG CA C 57.965 0.05 1 499 127 127 ARG CB C 25.981 0.05 1 500 127 127 ARG CZ C 160.774 0.05 1 501 127 127 ARG N N 121.100 0.05 1 502 128 128 VAL H H 9.172 0.02 1 503 128 128 VAL C C 173.972 0.05 1 504 128 128 VAL CA C 60.734 0.05 1 505 128 128 VAL CB C 33.393 0.05 1 506 128 128 VAL N N 120.344 0.05 1 507 129 129 ILE H H 7.546 0.02 1 508 129 129 ILE HA H 4.196 0.02 1 509 129 129 ILE C C 174.515 0.05 1 510 129 129 ILE CA C 58.849 0.05 1 511 129 129 ILE CB C 38.653 0.05 1 512 129 129 ILE N N 124.173 0.05 1 513 130 130 SER H H 8.980 0.02 1 514 130 130 SER HA H 4.531 0.02 1 515 130 130 SER C C 175.954 0.05 1 516 130 130 SER CA C 57.615 0.05 1 517 130 130 SER CB C 65.491 0.05 1 518 130 130 SER N N 123.594 0.05 1 519 131 131 TYR H H 9.403 0.02 1 520 131 131 TYR HA H 4.282 0.02 1 521 131 131 TYR C C 176.389 0.05 1 522 131 131 TYR CA C 61.689 0.05 1 523 131 131 TYR CB C 38.167 0.05 1 524 131 131 TYR N N 127.689 0.05 1 525 132 132 GLU H H 8.853 0.02 1 526 132 132 GLU HA H 4.800 0.02 1 527 132 132 GLU C C 178.861 0.05 1 528 132 132 GLU CA C 60.181 0.05 1 529 132 132 GLU N N 116.603 0.05 1 530 133 133 GLU H H 7.906 0.02 1 531 133 133 GLU HA H 3.858 0.02 1 532 133 133 GLU C C 179.273 0.05 1 533 133 133 GLU CA C 58.822 0.05 1 534 133 133 GLU CB C 29.339 0.05 1 535 133 133 GLU N N 121.473 0.05 1 536 134 134 GLY H H 7.196 0.02 1 537 134 134 GLY HA2 H 3.680 0.02 2 538 134 134 GLY HA3 H 3.397 0.02 2 539 134 134 GLY C C 173.289 0.05 1 540 134 134 GLY CA C 47.321 0.05 1 541 134 134 GLY N N 109.141 0.05 1 542 135 135 LYS H H 7.600 0.02 1 543 135 135 LYS C C 177.679 0.05 1 544 135 135 LYS CA C 58.055 0.05 1 545 135 135 LYS CB C 31.838 0.05 1 546 135 135 LYS N N 123.019 0.05 1 547 136 136 ALA H H 7.773 0.02 1 548 136 136 ALA HA H 3.954 0.02 1 549 136 136 ALA C C 180.409 0.05 1 550 136 136 ALA CA C 53.978 0.05 1 551 136 136 ALA CB C 17.384 0.05 1 552 136 136 ALA N N 119.557 0.05 1 553 137 137 LEU H H 7.061 0.02 1 554 137 137 LEU HA H 3.632 0.02 1 555 137 137 LEU C C 178.104 0.05 1 556 137 137 LEU CA C 56.534 0.05 1 557 137 137 LEU CB C 45.051 0.05 1 558 137 137 LEU N N 122.180 0.05 1 559 138 138 ALA H H 7.785 0.02 1 560 138 138 ALA C C 180.162 0.05 1 561 138 138 ALA CA C 55.063 0.05 1 562 138 138 ALA CB C 18.360 0.05 1 563 138 138 ALA N N 122.015 0.05 1 564 139 139 GLU H H 8.620 0.02 1 565 139 139 GLU HA H 4.128 0.02 1 566 139 139 GLU C C 180.408 0.05 1 567 139 139 GLU CA C 59.150 0.05 1 568 139 139 GLU CB C 28.645 0.05 1 569 139 139 GLU N N 118.657 0.05 1 570 140 140 SER H H 7.755 0.02 1 571 140 140 SER HA H 4.363 0.02 1 572 140 140 SER C C 174.835 0.05 1 573 140 140 SER CA C 60.876 0.05 1 574 140 140 SER CB C 62.525 0.05 1 575 140 140 SER N N 118.667 0.05 1 576 141 141 TRP H H 7.456 0.02 1 577 141 141 TRP HA H 4.945 0.02 1 578 141 141 TRP C C 176.370 0.05 1 579 141 141 TRP CA C 53.589 0.05 1 580 141 141 TRP CB C 30.427 0.05 1 581 141 141 TRP N N 123.137 0.05 1 582 142 142 ASN H H 8.278 0.02 1 583 142 142 ASN HA H 4.480 0.02 1 584 142 142 ASN C C 173.146 0.05 1 585 142 142 ASN CA C 54.282 0.05 1 586 142 142 ASN CB C 37.098 0.05 1 587 142 142 ASN N N 118.040 0.05 1 588 143 143 ALA H H 8.439 0.02 1 589 143 143 ALA HA H 5.047 0.02 1 590 143 143 ALA C C 176.064 0.05 1 591 143 143 ALA CA C 50.061 0.05 1 592 143 143 ALA CB C 22.063 0.05 1 593 143 143 ALA N N 120.757 0.05 1 594 144 144 ALA H H 7.906 0.02 1 595 144 144 ALA C C 175.160 0.05 1 596 144 144 ALA CA C 51.527 0.05 1 597 144 144 ALA CB C 19.607 0.05 1 598 144 144 ALA N N 123.409 0.05 1 599 145 145 PHE H H 8.119 0.02 1 600 145 145 PHE HA H 6.024 0.02 1 601 145 145 PHE C C 174.322 0.05 1 602 145 145 PHE CA C 55.928 0.05 1 603 145 145 PHE CB C 43.297 0.05 1 604 145 145 PHE N N 120.147 0.05 1 605 146 146 LEU H H 7.650 0.02 1 606 146 146 LEU HA H 3.985 0.02 1 607 146 146 LEU C C 173.980 0.05 1 608 146 146 LEU CA C 53.823 0.05 1 609 146 146 LEU CB C 47.742 0.05 1 610 146 146 LEU N N 128.638 0.05 1 611 147 147 GLU H H 7.748 0.02 1 612 147 147 GLU HA H 5.062 0.02 1 613 147 147 GLU C C 176.042 0.05 1 614 147 147 GLU CA C 54.346 0.05 1 615 147 147 GLU CB C 32.565 0.05 1 616 147 147 GLU N N 115.078 0.05 1 617 148 148 SER H H 9.197 0.02 1 618 148 148 SER HA H 4.460 0.02 1 619 148 148 SER C C 173.021 0.05 1 620 148 148 SER CA C 57.196 0.05 1 621 148 148 SER CB C 67.479 0.05 1 622 148 148 SER N N 115.570 0.05 1 623 149 149 SER H H 8.558 0.02 1 624 149 149 SER HA H 4.933 0.02 1 625 149 149 SER C C 175.408 0.05 1 626 149 149 SER CA C 57.117 0.05 1 627 149 149 SER CB C 65.465 0.05 1 628 149 149 SER N N 113.001 0.05 1 629 150 150 ALA H H 9.538 0.02 1 630 150 150 ALA HA H 4.013 0.02 1 631 150 150 ALA C C 174.996 0.05 1 632 150 150 ALA CA C 53.690 0.05 1 633 150 150 ALA CB C 18.170 0.05 1 634 150 150 ALA N N 132.496 0.05 1 635 151 151 LYS H H 7.562 0.02 1 636 151 151 LYS HA H 3.480 0.02 1 637 151 151 LYS C C 175.902 0.05 1 638 151 151 LYS CA C 56.953 0.05 1 639 151 151 LYS CB C 32.481 0.05 1 640 151 151 LYS N N 113.774 0.05 1 641 152 152 GLU H H 7.709 0.02 1 642 152 152 GLU HA H 4.574 0.02 1 643 152 152 GLU CA C 54.036 0.05 1 644 152 152 GLU N N 120.401 0.05 1 645 153 153 ASN C C 175.681 0.05 1 646 153 153 ASN CA C 59.316 0.05 1 647 153 153 ASN CB C 40.373 0.05 1 648 154 154 GLN H H 9.450 0.02 1 649 154 154 GLN HA H 5.375 0.02 1 650 154 154 GLN C C 177.503 0.05 1 651 154 154 GLN CA C 58.552 0.05 1 652 154 154 GLN CB C 27.801 0.05 1 653 154 154 GLN N N 116.487 0.05 1 654 155 155 THR H H 7.425 0.02 1 655 155 155 THR HA H 4.436 0.02 1 656 155 155 THR C C 175.126 0.05 1 657 155 155 THR CA C 63.459 0.05 1 658 155 155 THR CB C 68.541 0.05 1 659 155 155 THR N N 107.955 0.05 1 660 156 156 ALA H H 7.183 0.02 1 661 156 156 ALA HA H 4.089 0.02 1 662 156 156 ALA C C 178.141 0.05 1 663 156 156 ALA CA C 54.538 0.05 1 664 156 156 ALA CB C 18.358 0.05 1 665 156 156 ALA N N 126.026 0.05 1 666 157 157 VAL H H 8.325 0.02 1 667 157 157 VAL HA H 4.809 0.02 1 668 157 157 VAL C C 177.346 0.05 1 669 157 157 VAL CA C 66.426 0.05 1 670 157 157 VAL CB C 31.406 0.05 1 671 157 157 VAL N N 117.863 0.05 1 672 158 158 ASP H H 8.043 0.02 1 673 158 158 ASP HA H 4.355 0.02 1 674 158 158 ASP C C 178.195 0.05 1 675 158 158 ASP CA C 57.256 0.05 1 676 158 158 ASP CB C 39.839 0.05 1 677 158 158 ASP N N 118.419 0.05 1 678 159 159 VAL H H 7.278 0.02 1 679 159 159 VAL HA H 3.246 0.02 1 680 159 159 VAL C C 175.278 0.05 1 681 159 159 VAL CA C 66.154 0.05 1 682 159 159 VAL CB C 31.088 0.05 1 683 159 159 VAL N N 119.806 0.05 1 684 160 160 PHE H H 6.821 0.02 1 685 160 160 PHE HA H 2.925 0.02 1 686 160 160 PHE C C 176.895 0.05 1 687 160 160 PHE CA C 61.465 0.05 1 688 160 160 PHE CB C 38.039 0.05 1 689 160 160 PHE N N 116.243 0.05 1 690 161 161 ARG H H 8.586 0.02 1 691 161 161 ARG HA H 3.725 0.02 1 692 161 161 ARG C C 177.838 0.05 1 693 161 161 ARG CA C 59.679 0.05 1 694 161 161 ARG CB C 30.110 0.05 1 695 161 161 ARG N N 118.107 0.05 1 696 162 162 ARG H H 7.955 0.02 1 697 162 162 ARG HA H 4.303 0.02 1 698 162 162 ARG C C 178.626 0.05 1 699 162 162 ARG CA C 57.497 0.05 1 700 162 162 ARG N N 117.374 0.05 1 701 163 163 ILE H H 7.637 0.02 1 702 163 163 ILE C C 175.555 0.05 1 703 163 163 ILE CA C 60.214 0.05 1 704 163 163 ILE CB C 36.573 0.05 1 705 163 163 ILE N N 119.067 0.05 1 706 164 164 ILE H H 6.958 0.02 1 707 164 164 ILE HA H 3.495 0.02 1 708 164 164 ILE C C 177.686 0.05 1 709 164 164 ILE CA C 63.335 0.05 1 710 164 164 ILE N N 124.483 0.05 1 711 165 165 LEU H H 7.891 0.02 1 712 165 165 LEU HA H 3.997 0.02 1 713 165 165 LEU C C 180.242 0.05 1 714 165 165 LEU CA C 57.730 0.05 1 715 165 165 LEU CB C 40.851 0.05 1 716 165 165 LEU N N 121.200 0.05 1 717 166 166 GLU H H 8.515 0.02 1 718 166 166 GLU HA H 4.125 0.02 1 719 166 166 GLU C C 178.439 0.05 1 720 166 166 GLU CA C 58.094 0.05 1 721 166 166 GLU CB C 29.054 0.05 1 722 166 166 GLU N N 120.047 0.05 1 723 167 167 ALA H H 8.199 0.02 1 724 167 167 ALA C C 179.036 0.05 1 725 167 167 ALA CA C 54.506 0.05 1 726 167 167 ALA CB C 16.799 0.05 1 727 167 167 ALA N N 123.062 0.05 1 728 168 168 GLU H H 8.151 0.02 1 729 168 168 GLU CA C 57.937 0.05 1 730 168 168 GLU N N 118.300 0.05 1 731 169 169 LYS H H 7.695 0.02 1 732 169 169 LYS C C 178.193 0.05 1 733 169 169 LYS CA C 58.346 0.05 1 734 169 169 LYS CB C 29.235 0.05 1 735 169 169 LYS N N 120.412 0.05 1 736 170 170 ILE H H 7.682 0.02 1 737 170 170 ILE C C 176.887 0.05 1 738 170 170 ILE CA C 62.654 0.05 1 739 170 170 ILE N N 120.194 0.05 1 740 171 171 ASP H H 8.335 0.02 1 741 171 171 ASP HA H 4.623 0.02 1 742 171 171 ASP C C 177.580 0.05 1 743 171 171 ASP CA C 55.444 0.05 1 744 171 171 ASP CB C 40.132 0.05 1 745 171 171 ASP N N 122.578 0.05 1 746 172 172 GLY H H 8.200 0.02 1 747 172 172 GLY HA2 H 4.007 0.02 2 748 172 172 GLY C C 174.214 0.05 1 749 172 172 GLY CA C 45.459 0.05 1 750 172 172 GLY N N 109.029 0.05 1 751 173 173 ALA H H 7.988 0.02 1 752 173 173 ALA CA C 52.593 0.05 1 753 173 173 ALA N N 124.363 0.05 1 stop_ save_