data_17610 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of GppNHp-bound H-RasT35S mutant protein. ; _BMRB_accession_number 17610 _BMRB_flat_file_name bmr17610.str _Entry_type original _Submission_date 2011-04-28 _Accession_date 2011-04-28 _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 Araki Mitsugu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 979 "13C chemical shifts" 719 "15N chemical shifts" 184 "T1 relaxation values" 130 "T2 relaxation values" 130 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-05-17 update BMRB 'add related entry' 2012-05-09 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18461 'H-Ras-GppNHp bound to Ras-binding domain of cRaf1' stop_ _Original_release_date 2011-05-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the state 1 conformer of GTP-bound H-Ras protein and distinct dynamic properties between the state 1 and state 2 conformers. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21930707 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Araki Mitsugu . . 2 Shima Fumi . . 3 Yoshikawa Yoko . . 4 Muraoka Shin . . 5 Ijiri Yuichi . . 6 Nagahara Yuka . . 7 Shirono Tomoya . . 8 Kataoka Tohru . . 9 Tamura Atsuo . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 286 _Journal_issue 45 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 39644 _Page_last 39653 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'GppNHp-bound H-RasT35S mutant protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'GppNHp-bound H-RasT35S mutant protein' $H-RasT35S 'PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER' $GNP 'magnesium ions' $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_H-RasT35S _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'GppNHp-bound H-RasT35S mutant protein' _Molecular_mass 18861.303 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 172 _Mol_residue_sequence ; GPLGSDMTEYKLVVVGAGGV GKSALTIQLIQNHFVDEYDP SIEDSYRKQVVIDGETCLLD ILDTAGQEEYSAMRDQYMRT GEGFLCVFAINNTKSFEDIH QYREQIKRVKDSDDVPMVLV GNKCDLAARTVESRQAQDLA RSYGIPYIETSAKTRQGVED AFYTLVREIRQH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -5 GLY 2 -4 PRO 3 -3 LEU 4 -2 GLY 5 -1 SER 6 0 ASP 7 1 MET 8 2 THR 9 3 GLU 10 4 TYR 11 5 LYS 12 6 LEU 13 7 VAL 14 8 VAL 15 9 VAL 16 10 GLY 17 11 ALA 18 12 GLY 19 13 GLY 20 14 VAL 21 15 GLY 22 16 LYS 23 17 SER 24 18 ALA 25 19 LEU 26 20 THR 27 21 ILE 28 22 GLN 29 23 LEU 30 24 ILE 31 25 GLN 32 26 ASN 33 27 HIS 34 28 PHE 35 29 VAL 36 30 ASP 37 31 GLU 38 32 TYR 39 33 ASP 40 34 PRO 41 35 SER 42 36 ILE 43 37 GLU 44 38 ASP 45 39 SER 46 40 TYR 47 41 ARG 48 42 LYS 49 43 GLN 50 44 VAL 51 45 VAL 52 46 ILE 53 47 ASP 54 48 GLY 55 49 GLU 56 50 THR 57 51 CYS 58 52 LEU 59 53 LEU 60 54 ASP 61 55 ILE 62 56 LEU 63 57 ASP 64 58 THR 65 59 ALA 66 60 GLY 67 61 GLN 68 62 GLU 69 63 GLU 70 64 TYR 71 65 SER 72 66 ALA 73 67 MET 74 68 ARG 75 69 ASP 76 70 GLN 77 71 TYR 78 72 MET 79 73 ARG 80 74 THR 81 75 GLY 82 76 GLU 83 77 GLY 84 78 PHE 85 79 LEU 86 80 CYS 87 81 VAL 88 82 PHE 89 83 ALA 90 84 ILE 91 85 ASN 92 86 ASN 93 87 THR 94 88 LYS 95 89 SER 96 90 PHE 97 91 GLU 98 92 ASP 99 93 ILE 100 94 HIS 101 95 GLN 102 96 TYR 103 97 ARG 104 98 GLU 105 99 GLN 106 100 ILE 107 101 LYS 108 102 ARG 109 103 VAL 110 104 LYS 111 105 ASP 112 106 SER 113 107 ASP 114 108 ASP 115 109 VAL 116 110 PRO 117 111 MET 118 112 VAL 119 113 LEU 120 114 VAL 121 115 GLY 122 116 ASN 123 117 LYS 124 118 CYS 125 119 ASP 126 120 LEU 127 121 ALA 128 122 ALA 129 123 ARG 130 124 THR 131 125 VAL 132 126 GLU 133 127 SER 134 128 ARG 135 129 GLN 136 130 ALA 137 131 GLN 138 132 ASP 139 133 LEU 140 134 ALA 141 135 ARG 142 136 SER 143 137 TYR 144 138 GLY 145 139 ILE 146 140 PRO 147 141 TYR 148 142 ILE 149 143 GLU 150 144 THR 151 145 SER 152 146 ALA 153 147 LYS 154 148 THR 155 149 ARG 156 150 GLN 157 151 GLY 158 152 VAL 159 153 GLU 160 154 ASP 161 155 ALA 162 156 PHE 163 157 TYR 164 158 THR 165 159 LEU 166 160 VAL 167 161 ARG 168 162 GLU 169 163 ILE 170 164 ARG 171 165 GLN 172 166 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_GNP _Saveframe_category ligand _Mol_type non-polymer _Name_common 'PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER' _BMRB_code . _PDB_code GNP _Molecular_mass 522.196 _Mol_charge 0 _Mol_paramagnetic no _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons PG PG P . 0 . ? O1G O1G O . 0 . ? O2G O2G O . 0 . ? O3G O3G O . 0 . ? N3B N3B N . 0 . ? PB PB P . 0 . ? O1B O1B O . 0 . ? O2B O2B 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 . ? HOG2 HOG2 H . 0 . ? HOG3 HOG3 H . 0 . ? HNB3 HNB3 H . 0 . ? HOB2 HOB2 H . 0 . ? HOA2 HOA2 H . 0 . ? H5'2 H5'2 H . 0 . ? H5'1 H5'1 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 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 'not present' _Sequence_homology_query_date . save_ save_MG _Saveframe_category ligand _Mol_type non-polymer _Name_common MG _Molecular_mass . _Details . _Mol_thiol_state 'not present' _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $H-RasT35S human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $H-RasT35S 'recombinant technology' . Escherichia coli . pGEX-6P stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $H-RasT35S . mM 1 2 '[U-98% 13C; U-98% 15N]' $GNP . mM 1 2 'natural abundance' $MG 10 mM . . 'natural abundance' 'sodium chloride' 150 mM . . 'natural abundance' 'sodium phosphate' 25 mM . . 'natural abundance' H20 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $H-RasT35S . mM 1 2 '[U-98% 13C; U-98% 15N]' $GNP . mM 1 2 'natural abundance' $MG 10 mM . . 'natural abundance' 'sodium chloride' 150 mM . . 'natural abundance' 'sodium phosphate' 25 mM . . 'natural abundance' H20 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ 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_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-13C_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.24 . M pH 6.8 . 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 protons' ppm 0.00 external indirect . . . 0.251449530 TSP H 1 'methyl protons' ppm 0.00 external indirect . . . 1.000000000 TSP N 15 'methyl protons' ppm 0.00 external 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HBHA(CO)NH' '3D HN(CO)CA' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D 1H-13C NOESY' '3D HCCH-COSY' '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'GppNHp-bound H-RasT35S mutant protein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 7 MET H H 8.066 0.003 1 2 1 7 MET HA H 4.486 0.006 1 3 1 7 MET HB2 H 1.910 0.006 2 4 1 7 MET HB3 H 1.910 0.006 2 5 1 7 MET HG2 H 2.314 0.004 2 6 1 7 MET HG3 H 2.375 0.004 2 7 1 7 MET HE H 1.962 0.001 2 8 1 7 MET C C 175.134 0.000 1 9 1 7 MET CA C 55.305 0.130 1 10 1 7 MET CB C 34.300 0.043 1 11 1 7 MET CG C 31.099 0.110 1 12 1 7 MET CE C 16.651 0.035 1 13 1 7 MET N N 121.299 0.055 1 14 2 8 THR H H 8.667 0.004 1 15 2 8 THR HA H 3.983 0.004 1 16 2 8 THR HB H 3.821 0.003 1 17 2 8 THR HG2 H 0.690 0.003 2 18 2 8 THR C C 171.971 0.000 1 19 2 8 THR CA C 63.551 0.053 1 20 2 8 THR CB C 69.619 0.034 1 21 2 8 THR CG2 C 21.729 0.065 1 22 2 8 THR N N 124.188 0.053 1 23 3 9 GLU H H 8.316 0.005 1 24 3 9 GLU HA H 5.280 0.006 1 25 3 9 GLU HB2 H 1.789 0.002 2 26 3 9 GLU HB3 H 1.861 0.003 2 27 3 9 GLU HG2 H 1.964 0.005 2 28 3 9 GLU HG3 H 2.157 0.006 2 29 3 9 GLU C C 175.089 0.000 1 30 3 9 GLU CA C 53.636 0.055 1 31 3 9 GLU CB C 32.029 0.085 1 32 3 9 GLU CG C 36.376 0.082 1 33 3 9 GLU N N 127.895 0.049 1 34 4 10 TYR H H 8.739 0.011 1 35 4 10 TYR HA H 5.131 0.007 1 36 4 10 TYR HB2 H 2.596 0.007 2 37 4 10 TYR HB3 H 2.656 0.007 2 38 4 10 TYR HD1 H 6.912 0.004 3 39 4 10 TYR HD2 H 6.912 0.004 3 40 4 10 TYR HE1 H 6.689 0.011 3 41 4 10 TYR HE2 H 6.689 0.011 3 42 4 10 TYR C C 174.621 0.000 1 43 4 10 TYR CA C 56.649 0.029 1 44 4 10 TYR CB C 41.323 0.000 1 45 4 10 TYR CD1 C 132.848 0.084 3 46 4 10 TYR CD2 C 132.848 0.084 3 47 4 10 TYR CE1 C 117.965 0.147 3 48 4 10 TYR CE2 C 117.965 0.147 3 49 4 10 TYR N N 123.375 0.072 1 50 5 11 LYS H H 9.142 0.007 1 51 5 11 LYS HA H 5.168 0.007 1 52 5 11 LYS HB2 H 1.800 0.006 2 53 5 11 LYS HB3 H 1.916 0.008 2 54 5 11 LYS HG2 H 1.414 0.006 2 55 5 11 LYS HG3 H 1.469 0.001 2 56 5 11 LYS HD2 H 1.615 0.005 2 57 5 11 LYS HD3 H 1.615 0.005 2 58 5 11 LYS HE2 H 2.901 0.006 2 59 5 11 LYS HE3 H 2.901 0.006 2 60 5 11 LYS C C 175.291 0.000 1 61 5 11 LYS CA C 55.145 0.148 1 62 5 11 LYS CB C 32.225 0.089 1 63 5 11 LYS CG C 24.977 0.114 1 64 5 11 LYS CD C 29.170 0.103 1 65 5 11 LYS CE C 41.881 0.107 1 66 5 11 LYS N N 125.147 0.072 1 67 6 12 LEU H H 9.150 0.007 1 68 6 12 LEU HA H 4.970 0.007 1 69 6 12 LEU HB2 H 1.144 0.009 2 70 6 12 LEU HB3 H 1.867 0.008 2 71 6 12 LEU HG H 1.736 0.008 1 72 6 12 LEU HD1 H 0.634 0.006 2 73 6 12 LEU HD2 H 0.965 0.005 2 74 6 12 LEU C C 175.298 0.000 1 75 6 12 LEU CA C 52.743 0.079 1 76 6 12 LEU CB C 43.063 0.074 1 77 6 12 LEU CG C 26.901 0.036 1 78 6 12 LEU CD1 C 23.366 0.149 2 79 6 12 LEU CD2 C 26.698 0.102 2 80 6 12 LEU N N 127.306 0.070 1 81 7 13 VAL H H 8.113 0.005 1 82 7 13 VAL HA H 4.827 0.002 1 83 7 13 VAL HB H 1.758 0.006 1 84 7 13 VAL HG1 H 0.719 0.006 2 85 7 13 VAL HG2 H 0.996 0.011 2 86 7 13 VAL C C 174.230 0.000 1 87 7 13 VAL CB C 34.048 0.096 1 88 7 13 VAL CG1 C 22.010 0.100 2 89 7 13 VAL CG2 C 22.241 0.057 2 90 7 13 VAL N N 123.170 0.154 1 91 8 14 VAL H H 8.707 0.009 1 92 8 14 VAL HA H 4.669 0.008 1 93 8 14 VAL HB H 2.276 0.004 1 94 8 14 VAL HG1 H 0.924 0.006 2 95 8 14 VAL HG2 H 0.944 0.003 2 96 8 14 VAL C C 175.377 0.000 1 97 8 14 VAL CA C 61.935 0.074 1 98 8 14 VAL CB C 32.496 0.111 1 99 8 14 VAL CG1 C 22.329 0.023 2 100 8 14 VAL CG2 C 20.565 0.060 2 101 8 14 VAL N N 129.854 0.069 1 102 9 15 VAL H H 9.107 0.004 1 103 9 15 VAL HA H 4.616 0.003 1 104 9 15 VAL HB H 2.098 0.006 1 105 9 15 VAL HG1 H 0.876 0.008 2 106 9 15 VAL HG2 H 1.020 0.005 2 107 9 15 VAL C C 172.824 0.000 1 108 9 15 VAL CA C 58.963 0.090 1 109 9 15 VAL CB C 35.405 0.123 1 110 9 15 VAL CG1 C 20.905 0.063 2 111 9 15 VAL CG2 C 22.282 0.038 2 112 9 15 VAL N N 121.835 0.154 1 113 10 16 GLY H H 7.394 0.005 1 114 10 16 GLY HA2 H 2.873 0.009 2 115 10 16 GLY HA3 H 4.660 0.008 2 116 10 16 GLY C C 172.504 0.000 1 117 10 16 GLY CA C 43.848 0.066 1 118 10 16 GLY N N 109.233 0.048 1 119 11 17 ALA H H 9.054 0.007 1 120 11 17 ALA HA H 4.547 0.004 1 121 11 17 ALA HB H 1.625 0.003 1 122 11 17 ALA C C 177.371 0.000 1 123 11 17 ALA CA C 52.236 0.186 1 124 11 17 ALA CB C 19.807 0.042 1 125 11 17 ALA N N 123.120 0.119 1 126 12 18 GLY H H 8.694 0.007 1 127 12 18 GLY HA2 H 3.713 0.011 2 128 12 18 GLY HA3 H 4.799 0.000 2 129 12 18 GLY C C 176.858 0.000 1 130 12 18 GLY CA C 46.465 0.086 1 131 12 18 GLY N N 107.391 0.055 1 132 13 19 GLY H H 8.916 0.004 1 133 13 19 GLY HA2 H 3.937 0.001 2 134 13 19 GLY HA3 H 4.195 0.003 2 135 13 19 GLY C C 174.661 0.000 1 136 13 19 GLY CA C 46.545 0.015 1 137 13 19 GLY N N 114.596 0.093 1 138 14 20 VAL H H 7.427 0.004 1 139 14 20 VAL HA H 4.008 0.008 1 140 14 20 VAL HB H 2.096 0.008 1 141 14 20 VAL HG1 H 0.945 0.009 2 142 14 20 VAL HG2 H 1.162 0.005 2 143 14 20 VAL C C 174.469 0.000 1 144 14 20 VAL CA C 62.825 0.053 1 145 14 20 VAL CB C 31.740 0.139 1 146 14 20 VAL CG1 C 17.645 0.061 2 147 14 20 VAL CG2 C 21.898 0.105 2 148 14 20 VAL N N 113.376 0.053 1 149 15 21 GLY H H 8.388 0.004 1 150 15 21 GLY HA2 H 4.280 0.011 2 151 15 21 GLY HA3 H 4.573 0.007 2 152 15 21 GLY C C 173.254 0.000 1 153 15 21 GLY CA C 45.708 0.072 1 154 15 21 GLY N N 109.392 0.083 1 155 16 22 LYS H H 9.097 0.003 1 156 16 22 LYS HA H 3.537 0.006 1 157 16 22 LYS HB2 H 1.657 0.007 2 158 16 22 LYS HB3 H 2.444 0.008 2 159 16 22 LYS C C 179.106 0.000 1 160 16 22 LYS CA C 60.990 0.064 1 161 16 22 LYS CB C 29.967 0.052 1 162 16 22 LYS N N 124.844 0.072 1 163 17 23 SER H H 9.546 0.004 1 164 17 23 SER HA H 4.292 0.010 1 165 17 23 SER HB2 H 3.692 0.007 2 166 17 23 SER HB3 H 3.692 0.007 2 167 17 23 SER C C 175.697 0.000 1 168 17 23 SER CA C 61.346 0.054 1 169 17 23 SER CB C 61.337 0.071 1 170 17 23 SER N N 121.228 0.075 1 171 18 24 ALA H H 9.189 0.005 1 172 18 24 ALA HA H 3.946 0.008 1 173 18 24 ALA HB H 1.460 0.004 1 174 18 24 ALA C C 181.834 0.000 1 175 18 24 ALA CA C 54.587 0.087 1 176 18 24 ALA CB C 18.539 0.048 1 177 18 24 ALA N N 126.557 0.043 1 178 19 25 LEU H H 8.817 0.004 1 179 19 25 LEU HA H 3.878 0.007 1 180 19 25 LEU HB2 H 1.341 0.004 2 181 19 25 LEU HB3 H 2.210 0.007 2 182 19 25 LEU HG H 1.889 0.004 1 183 19 25 LEU HD1 H 0.641 0.005 2 184 19 25 LEU HD2 H 0.807 0.010 2 185 19 25 LEU C C 177.485 0.000 1 186 19 25 LEU CA C 58.729 0.102 1 187 19 25 LEU CB C 43.227 0.078 1 188 19 25 LEU CG C 26.973 0.101 1 189 19 25 LEU CD1 C 26.554 0.120 2 190 19 25 LEU CD2 C 26.942 0.000 2 191 19 25 LEU N N 121.712 0.108 1 192 20 26 THR H H 7.517 0.002 1 193 20 26 THR HA H 3.401 0.005 1 194 20 26 THR HB H 4.070 0.006 1 195 20 26 THR HG2 H 0.579 0.006 2 196 20 26 THR C C 175.714 0.000 1 197 20 26 THR CA C 68.122 0.058 1 198 20 26 THR CB C 68.196 0.118 1 199 20 26 THR CG2 C 21.888 0.091 1 200 20 26 THR N N 118.148 0.089 1 201 21 27 ILE H H 8.950 0.008 1 202 21 27 ILE HA H 3.302 0.004 1 203 21 27 ILE HB H 1.840 0.004 1 204 21 27 ILE HG12 H 1.079 0.003 2 205 21 27 ILE HG13 H 1.337 0.004 2 206 21 27 ILE HG2 H 0.683 0.006 1 207 21 27 ILE HD1 H 0.609 0.003 1 208 21 27 ILE C C 175.380 0.000 1 209 21 27 ILE CA C 64.278 0.054 1 210 21 27 ILE CB C 36.758 0.147 1 211 21 27 ILE CG1 C 29.681 0.145 1 212 21 27 ILE CG2 C 17.542 0.080 1 213 21 27 ILE CD1 C 11.882 0.072 1 214 21 27 ILE N N 121.987 0.085 1 215 22 28 GLN H H 8.094 0.010 1 216 22 28 GLN HA H 4.334 0.006 1 217 22 28 GLN HB2 H 2.108 0.010 2 218 22 28 GLN HB3 H 2.410 0.012 2 219 22 28 GLN HG2 H 2.370 0.012 2 220 22 28 GLN HG3 H 2.623 0.011 2 221 22 28 GLN HE21 H 6.731 0.004 2 222 22 28 GLN HE22 H 7.848 0.006 2 223 22 28 GLN C C 179.058 0.000 1 224 22 28 GLN CA C 58.796 0.143 1 225 22 28 GLN CB C 29.752 0.160 1 226 22 28 GLN CG C 34.019 0.099 1 227 22 28 GLN N N 121.898 0.050 1 228 22 28 GLN NE2 N 109.040 0.151 1 229 23 29 LEU H H 7.746 0.006 1 230 23 29 LEU HA H 3.765 0.009 1 231 23 29 LEU HB2 H 0.990 0.007 2 232 23 29 LEU HB3 H 1.542 0.007 2 233 23 29 LEU HG H 1.024 0.005 1 234 23 29 LEU HD1 H -0.176 0.003 2 235 23 29 LEU HD2 H 0.626 0.006 2 236 23 29 LEU C C 178.155 0.000 1 237 23 29 LEU CA C 58.304 0.261 1 238 23 29 LEU CB C 40.637 0.055 1 239 23 29 LEU CG C 26.393 0.053 1 240 23 29 LEU CD1 C 23.705 0.023 2 241 23 29 LEU CD2 C 22.679 0.067 2 242 23 29 LEU N N 121.426 0.062 1 243 24 30 ILE H H 8.115 0.003 1 244 24 30 ILE HA H 3.697 0.004 1 245 24 30 ILE HB H 1.832 0.003 1 246 24 30 ILE HG12 H 1.123 0.010 2 247 24 30 ILE HG13 H 1.588 0.006 2 248 24 30 ILE HG2 H 0.988 0.005 1 249 24 30 ILE HD1 H 0.509 0.005 1 250 24 30 ILE C C 177.421 0.000 1 251 24 30 ILE CA C 62.050 0.061 1 252 24 30 ILE CB C 37.183 0.066 1 253 24 30 ILE CG1 C 26.378 0.082 1 254 24 30 ILE CG2 C 17.662 0.040 1 255 24 30 ILE CD1 C 10.367 0.033 1 256 24 30 ILE N N 115.325 0.061 1 257 25 31 GLN H H 8.887 0.006 1 258 25 31 GLN HA H 4.539 0.007 1 259 25 31 GLN HB2 H 1.847 0.006 2 260 25 31 GLN HB3 H 2.185 0.014 2 261 25 31 GLN HG2 H 2.252 0.007 2 262 25 31 GLN HG3 H 2.413 0.005 2 263 25 31 GLN HE21 H 6.932 0.004 2 264 25 31 GLN HE22 H 7.515 0.006 2 265 25 31 GLN C C 176.149 0.000 1 266 25 31 GLN CA C 55.234 0.090 1 267 25 31 GLN CB C 30.184 0.126 1 268 25 31 GLN CG C 33.736 0.074 1 269 25 31 GLN N N 117.213 0.047 1 270 25 31 GLN NE2 N 111.586 0.083 1 271 26 32 ASN H H 7.982 0.008 1 272 26 32 ASN HA H 4.807 0.000 1 273 26 32 ASN HB2 H 2.745 0.004 2 274 26 32 ASN HB3 H 3.105 0.008 2 275 26 32 ASN HD21 H 6.710 0.004 2 276 26 32 ASN HD22 H 7.463 0.002 2 277 26 32 ASN C C 174.051 0.000 1 278 26 32 ASN CA C 54.310 0.011 1 279 26 32 ASN CB C 37.184 0.101 1 280 26 32 ASN N N 117.820 0.130 1 281 26 32 ASN ND2 N 112.954 0.092 1 282 27 33 HIS H H 6.804 0.007 1 283 27 33 HIS HA H 4.889 0.002 1 284 27 33 HIS HB2 H 2.943 0.006 2 285 27 33 HIS HB3 H 3.011 0.013 2 286 27 33 HIS HD2 H 6.812 0.000 1 287 27 33 HIS HE1 H 8.158 0.014 1 288 27 33 HIS C C 172.514 0.000 1 289 27 33 HIS CA C 54.314 0.000 1 290 27 33 HIS CB C 32.616 0.045 1 291 27 33 HIS CD2 C 119.820 0.000 1 292 27 33 HIS CE1 C 137.400 0.000 1 293 27 33 HIS N N 112.968 0.095 1 294 28 34 PHE H H 8.462 0.007 1 295 28 34 PHE HA H 4.914 0.009 1 296 28 34 PHE HB2 H 2.813 0.004 2 297 28 34 PHE HB3 H 3.044 0.008 2 298 28 34 PHE HD1 H 7.026 0.007 3 299 28 34 PHE HD2 H 7.026 0.007 3 300 28 34 PHE HE1 H 6.533 0.006 3 301 28 34 PHE HE2 H 6.533 0.006 3 302 28 34 PHE HZ H 6.711 0.011 1 303 28 34 PHE C C 174.641 0.000 1 304 28 34 PHE CA C 55.754 0.099 1 305 28 34 PHE CB C 40.573 0.095 1 306 28 34 PHE CD1 C 131.935 0.115 3 307 28 34 PHE CD2 C 131.935 0.115 3 308 28 34 PHE N N 123.605 0.081 1 309 29 35 VAL H H 7.537 0.006 1 310 29 35 VAL HA H 3.911 0.004 1 311 29 35 VAL HB H 1.781 0.004 1 312 29 35 VAL HG1 H 0.610 0.006 2 313 29 35 VAL HG2 H 0.702 0.007 2 314 29 35 VAL C C 173.764 0.000 1 315 29 35 VAL CA C 61.275 0.098 1 316 29 35 VAL CB C 33.154 0.000 1 317 29 35 VAL CG1 C 19.631 0.048 2 318 29 35 VAL CG2 C 21.457 0.140 2 319 29 35 VAL N N 126.695 0.051 1 320 30 36 ASP H H 7.618 0.005 1 321 30 36 ASP HA H 4.185 0.002 1 322 30 36 ASP HB2 H 2.492 0.007 2 323 30 36 ASP HB3 H 2.593 0.007 2 324 30 36 ASP C C 176.129 0.000 1 325 30 36 ASP CA C 54.662 0.124 1 326 30 36 ASP CB C 41.323 0.000 1 327 30 36 ASP N N 123.271 0.073 1 328 31 37 GLU H H 7.857 0.007 1 329 31 37 GLU HA H 4.262 0.009 1 330 31 37 GLU HB2 H 1.891 0.002 2 331 31 37 GLU HB3 H 1.968 0.000 2 332 31 37 GLU HG2 H 2.112 0.003 2 333 31 37 GLU HG3 H 2.112 0.003 2 334 31 37 GLU C C 174.901 0.000 1 335 31 37 GLU CA C 56.137 0.237 1 336 31 37 GLU CB C 30.459 0.039 1 337 31 37 GLU CG C 35.919 0.085 1 338 31 37 GLU N N 119.730 0.039 1 339 32 38 TYR H H 8.244 0.006 1 340 32 38 TYR HA H 4.486 0.006 1 341 32 38 TYR HB2 H 2.882 0.006 2 342 32 38 TYR HB3 H 2.882 0.006 2 343 32 38 TYR HD1 H 7.043 0.005 3 344 32 38 TYR HD2 H 7.043 0.005 3 345 32 38 TYR HE1 H 6.790 0.009 3 346 32 38 TYR HE2 H 6.790 0.009 3 347 32 38 TYR C C 174.370 0.000 1 348 32 38 TYR CA C 57.511 0.113 1 349 32 38 TYR CB C 39.199 0.067 1 350 32 38 TYR CD1 C 132.724 0.113 3 351 32 38 TYR CD2 C 132.724 0.113 3 352 32 38 TYR CE1 C 118.183 0.004 3 353 32 38 TYR CE2 C 118.183 0.004 3 354 32 38 TYR N N 123.296 0.067 1 355 33 39 ASP H H 8.158 0.004 1 356 33 39 ASP HA H 4.891 0.004 1 357 33 39 ASP HB2 H 2.450 0.007 2 358 33 39 ASP HB3 H 2.703 0.006 2 359 33 39 ASP CA C 51.207 0.041 1 360 33 39 ASP CB C 41.837 0.000 1 361 33 39 ASP N N 127.452 0.065 1 362 34 40 PRO HA H 4.405 0.006 1 363 34 40 PRO HB2 H 2.005 0.007 2 364 34 40 PRO HB3 H 2.277 0.006 2 365 34 40 PRO HG2 H 1.961 0.010 2 366 34 40 PRO HG3 H 1.961 0.010 2 367 34 40 PRO HD2 H 3.517 0.003 2 368 34 40 PRO HD3 H 3.756 0.008 2 369 34 40 PRO C C 176.938 0.000 1 370 34 40 PRO CA C 63.068 0.112 1 371 34 40 PRO CB C 32.089 0.079 1 372 34 40 PRO CG C 26.896 0.044 1 373 34 40 PRO CD C 50.567 0.068 1 374 35 41 SER H H 8.495 0.005 1 375 35 41 SER HA H 4.433 0.005 1 376 35 41 SER HB2 H 3.858 0.000 2 377 35 41 SER HB3 H 3.904 0.000 2 378 35 41 SER C C 174.777 0.000 1 379 35 41 SER CA C 58.346 0.024 1 380 35 41 SER CB C 63.704 0.032 1 381 35 41 SER N N 117.575 0.081 1 382 36 42 ILE H H 7.919 0.003 1 383 36 42 ILE HA H 4.219 0.003 1 384 36 42 ILE HB H 1.927 0.002 1 385 36 42 ILE HG12 H 1.160 0.002 2 386 36 42 ILE HG13 H 1.420 0.004 2 387 36 42 ILE HG2 H 0.911 0.006 1 388 36 42 ILE HD1 H 0.850 0.002 1 389 36 42 ILE C C 175.966 0.000 1 390 36 42 ILE CA C 61.665 0.051 1 391 36 42 ILE CB C 38.745 0.057 1 392 36 42 ILE CG1 C 27.078 0.071 1 393 36 42 ILE CG2 C 17.658 0.078 1 394 36 42 ILE CD1 C 13.289 0.086 1 395 36 42 ILE N N 123.018 0.074 1 396 37 43 GLU H H 8.201 0.005 1 397 37 43 GLU HA H 4.381 0.004 1 398 37 43 GLU HB2 H 1.787 0.006 2 399 37 43 GLU HB3 H 1.994 0.003 2 400 37 43 GLU HG2 H 2.196 0.010 2 401 37 43 GLU HG3 H 2.196 0.010 2 402 37 43 GLU C C 179.069 0.000 1 403 37 43 GLU CA C 56.223 0.019 1 404 37 43 GLU CB C 30.616 0.080 1 405 37 43 GLU CG C 36.234 0.074 1 406 37 43 GLU N N 124.699 0.038 1 407 38 44 ASP H H 8.094 0.004 1 408 38 44 ASP HA H 4.622 0.008 1 409 38 44 ASP HB2 H 2.531 0.003 2 410 38 44 ASP HB3 H 2.659 0.005 2 411 38 44 ASP C C 174.634 0.000 1 412 38 44 ASP CA C 54.095 0.249 1 413 38 44 ASP CB C 41.837 0.000 1 414 38 44 ASP N N 121.902 0.077 1 415 39 45 SER H H 7.792 0.007 1 416 39 45 SER HA H 4.923 0.011 1 417 39 45 SER HB2 H 3.631 0.002 2 418 39 45 SER HB3 H 3.664 0.003 2 419 39 45 SER C C 173.339 0.000 1 420 39 45 SER CA C 57.023 0.062 1 421 39 45 SER CB C 64.751 0.034 1 422 39 45 SER N N 114.779 0.092 1 423 40 46 TYR H H 8.976 0.006 1 424 40 46 TYR HA H 4.662 0.006 1 425 40 46 TYR HB2 H 2.786 0.011 2 426 40 46 TYR HB3 H 2.870 0.009 2 427 40 46 TYR HD1 H 7.010 0.008 3 428 40 46 TYR HD2 H 7.010 0.008 3 429 40 46 TYR HE1 H 6.781 0.005 3 430 40 46 TYR HE2 H 6.781 0.005 3 431 40 46 TYR C C 173.910 0.000 1 432 40 46 TYR CA C 56.944 0.087 1 433 40 46 TYR CB C 41.323 0.000 1 434 40 46 TYR CD1 C 133.170 0.053 3 435 40 46 TYR CD2 C 133.170 0.053 3 436 40 46 TYR CE1 C 118.128 0.000 3 437 40 46 TYR CE2 C 118.128 0.000 3 438 40 46 TYR N N 124.235 0.080 1 439 41 47 ARG H H 8.238 0.008 1 440 41 47 ARG HA H 5.802 0.005 1 441 41 47 ARG HB2 H 1.642 0.006 2 442 41 47 ARG HB3 H 1.697 0.006 2 443 41 47 ARG HG2 H 1.524 0.003 2 444 41 47 ARG HG3 H 1.554 0.005 2 445 41 47 ARG HD2 H 3.055 0.006 2 446 41 47 ARG HD3 H 3.164 0.003 2 447 41 47 ARG HE H 7.438 0.003 1 448 41 47 ARG C C 176.150 0.000 1 449 41 47 ARG CA C 54.129 0.039 1 450 41 47 ARG CB C 34.105 0.097 1 451 41 47 ARG CG C 27.739 0.027 1 452 41 47 ARG CD C 43.566 0.142 1 453 41 47 ARG N N 121.906 0.230 1 454 41 47 ARG NE N 85.173 0.146 1 455 42 48 LYS H H 8.705 0.008 1 456 42 48 LYS HA H 4.508 0.005 1 457 42 48 LYS HB2 H 1.484 0.006 2 458 42 48 LYS HB3 H 1.695 0.009 2 459 42 48 LYS HG2 H 1.287 0.006 2 460 42 48 LYS HG3 H 1.512 0.009 2 461 42 48 LYS HD2 H 1.416 0.004 2 462 42 48 LYS HD3 H 1.757 0.010 2 463 42 48 LYS HE2 H 3.083 0.006 2 464 42 48 LYS HE3 H 3.083 0.006 2 465 42 48 LYS C C 173.710 0.000 1 466 42 48 LYS CA C 55.651 0.090 1 467 42 48 LYS CB C 38.139 0.058 1 468 42 48 LYS CG C 25.153 0.098 1 469 42 48 LYS CD C 30.418 0.112 1 470 42 48 LYS CE C 42.344 0.045 1 471 42 48 LYS N N 123.924 0.096 1 472 43 49 GLN H H 8.897 0.005 1 473 43 49 GLN HA H 5.230 0.004 1 474 43 49 GLN HB2 H 1.948 0.008 2 475 43 49 GLN HB3 H 1.948 0.008 2 476 43 49 GLN HG2 H 2.128 0.009 2 477 43 49 GLN HG3 H 2.244 0.006 2 478 43 49 GLN HE21 H 6.812 0.003 2 479 43 49 GLN HE22 H 7.262 0.003 2 480 43 49 GLN C C 175.254 0.000 1 481 43 49 GLN CA C 55.496 0.094 1 482 43 49 GLN CB C 29.892 0.046 1 483 43 49 GLN CG C 34.540 0.126 1 484 43 49 GLN N N 130.301 0.075 1 485 43 49 GLN NE2 N 112.751 0.080 1 486 44 50 VAL H H 9.104 0.003 1 487 44 50 VAL HA H 4.772 0.000 1 488 44 50 VAL HB H 2.059 0.007 1 489 44 50 VAL HG1 H 0.672 0.009 2 490 44 50 VAL HG2 H 0.846 0.006 2 491 44 50 VAL C C 173.116 0.000 1 492 44 50 VAL CA C 59.238 0.000 1 493 44 50 VAL CB C 35.888 0.098 1 494 44 50 VAL CG1 C 19.758 0.091 2 495 44 50 VAL CG2 C 21.684 0.045 2 496 44 50 VAL N N 122.354 0.067 1 497 45 51 VAL H H 8.100 0.007 1 498 45 51 VAL HA H 4.462 0.007 1 499 45 51 VAL HB H 1.859 0.005 1 500 45 51 VAL HG1 H 0.646 0.002 2 501 45 51 VAL HG2 H 0.880 0.009 2 502 45 51 VAL C C 175.450 0.000 1 503 45 51 VAL CA C 61.832 0.019 1 504 45 51 VAL CB C 32.228 0.048 1 505 45 51 VAL CG1 C 20.969 0.109 2 506 45 51 VAL CG2 C 20.868 0.057 2 507 45 51 VAL N N 122.385 0.062 1 508 46 52 ILE H H 8.118 0.004 1 509 46 52 ILE HA H 3.995 0.005 1 510 46 52 ILE HB H 1.310 0.006 1 511 46 52 ILE HG12 H -0.367 0.006 2 512 46 52 ILE HG13 H 0.861 0.006 2 513 46 52 ILE HG2 H 0.533 0.005 1 514 46 52 ILE HD1 H 0.412 0.005 1 515 46 52 ILE C C 176.424 0.000 1 516 46 52 ILE CA C 60.343 0.241 1 517 46 52 ILE CB C 40.096 0.048 1 518 46 52 ILE CG1 C 25.956 0.063 1 519 46 52 ILE CG2 C 16.429 0.148 1 520 46 52 ILE CD1 C 15.039 0.028 1 521 46 52 ILE N N 126.953 0.076 1 522 47 53 ASP H H 9.605 0.004 1 523 47 53 ASP HA H 4.267 0.005 1 524 47 53 ASP HB2 H 2.776 0.005 2 525 47 53 ASP HB3 H 2.901 0.010 2 526 47 53 ASP C C 176.121 0.000 1 527 47 53 ASP CA C 55.267 0.029 1 528 47 53 ASP CB C 39.203 0.041 1 529 47 53 ASP N N 132.206 0.121 1 530 48 54 GLY H H 8.332 0.003 1 531 48 54 GLY HA2 H 3.457 0.005 2 532 48 54 GLY HA3 H 4.146 0.005 2 533 48 54 GLY C C 173.219 0.000 1 534 48 54 GLY CA C 45.318 0.068 1 535 48 54 GLY N N 104.275 0.082 1 536 49 55 GLU H H 7.684 0.003 1 537 49 55 GLU HA H 4.691 0.004 1 538 49 55 GLU HB2 H 1.835 0.003 2 539 49 55 GLU HB3 H 2.013 0.006 2 540 49 55 GLU HG2 H 2.102 0.007 2 541 49 55 GLU HG3 H 2.273 0.004 2 542 49 55 GLU C C 175.614 0.000 1 543 49 55 GLU CA C 54.719 0.091 1 544 49 55 GLU CB C 31.803 0.067 1 545 49 55 GLU CG C 36.012 0.074 1 546 49 55 GLU N N 123.384 0.055 1 547 50 56 THR H H 8.951 0.004 1 548 50 56 THR HA H 4.727 0.006 1 549 50 56 THR HB H 4.069 0.004 1 550 50 56 THR HG2 H 1.197 0.002 2 551 50 56 THR C C 173.530 0.000 1 552 50 56 THR CA C 63.521 0.041 1 553 50 56 THR CB C 68.478 0.053 1 554 50 56 THR CG2 C 22.024 0.084 1 555 50 56 THR N N 127.153 0.060 1 556 51 57 CYS H H 9.424 0.004 1 557 51 57 CYS HA H 5.086 0.007 1 558 51 57 CYS HB2 H 2.823 0.006 2 559 51 57 CYS HB3 H 3.045 0.006 2 560 51 57 CYS C C 170.937 0.000 1 561 51 57 CYS CA C 56.423 0.084 1 562 51 57 CYS CB C 31.549 0.145 1 563 51 57 CYS N N 124.835 0.074 1 564 52 58 LEU H H 8.803 0.002 1 565 52 58 LEU HA H 4.943 0.005 1 566 52 58 LEU HB2 H 1.471 0.006 2 567 52 58 LEU HB3 H 1.574 0.006 2 568 52 58 LEU HG H 1.465 0.003 1 569 52 58 LEU HD1 H 0.777 0.004 2 570 52 58 LEU HD2 H 0.792 0.007 2 571 52 58 LEU C C 175.044 0.000 1 572 52 58 LEU CA C 53.372 0.082 1 573 52 58 LEU CB C 44.304 0.077 1 574 52 58 LEU CG C 27.239 0.039 1 575 52 58 LEU CD1 C 24.641 0.171 2 576 52 58 LEU CD2 C 24.803 0.105 2 577 52 58 LEU N N 123.111 0.089 1 578 53 59 LEU H H 9.054 0.008 1 579 53 59 LEU HA H 4.888 0.009 1 580 53 59 LEU HB2 H 1.184 0.005 2 581 53 59 LEU HB3 H 1.926 0.011 2 582 53 59 LEU HG H 1.893 0.005 1 583 53 59 LEU HD1 H 0.793 0.003 2 584 53 59 LEU HD2 H 0.830 0.004 2 585 53 59 LEU C C 174.358 0.000 1 586 53 59 LEU CA C 53.490 0.000 1 587 53 59 LEU CB C 42.195 0.057 1 588 53 59 LEU CG C 26.875 0.308 1 589 53 59 LEU CD1 C 24.831 0.000 2 590 53 59 LEU CD2 C 23.981 0.071 2 591 53 59 LEU N N 124.540 0.067 1 592 54 60 ASP H H 8.739 0.006 1 593 54 60 ASP HA H 5.225 0.012 1 594 54 60 ASP HB2 H 2.237 0.009 2 595 54 60 ASP HB3 H 2.829 0.006 2 596 54 60 ASP C C 174.846 0.000 1 597 54 60 ASP CA C 53.040 0.074 1 598 54 60 ASP CB C 42.622 0.089 1 599 54 60 ASP N N 126.666 0.100 1 600 55 61 ILE H H 9.115 0.009 1 601 55 61 ILE HA H 4.690 0.006 1 602 55 61 ILE HB H 1.841 0.006 1 603 55 61 ILE HG12 H 1.000 0.007 2 604 55 61 ILE HG13 H 1.397 0.007 2 605 55 61 ILE HG2 H 0.869 0.008 1 606 55 61 ILE HD1 H 0.538 0.005 1 607 55 61 ILE C C 174.745 0.000 1 608 55 61 ILE CA C 60.331 0.071 1 609 55 61 ILE CB C 39.682 0.042 1 610 55 61 ILE CG1 C 27.885 0.085 1 611 55 61 ILE CG2 C 19.479 0.129 1 612 55 61 ILE CD1 C 14.365 0.048 1 613 55 61 ILE N N 125.100 0.054 1 614 56 62 LEU H H 9.014 0.008 1 615 56 62 LEU HA H 4.667 0.004 1 616 56 62 LEU HB2 H 1.422 0.006 2 617 56 62 LEU HB3 H 1.422 0.006 2 618 56 62 LEU HG H 1.308 0.004 1 619 56 62 LEU HD1 H 0.552 0.005 2 620 56 62 LEU HD2 H 0.632 0.005 2 621 56 62 LEU C C 174.063 0.000 1 622 56 62 LEU CA C 53.795 0.222 1 623 56 62 LEU CB C 42.256 0.066 1 624 56 62 LEU CG C 26.843 0.028 1 625 56 62 LEU CD1 C 25.255 0.041 2 626 56 62 LEU CD2 C 23.776 0.068 2 627 56 62 LEU N N 131.208 0.090 1 628 57 63 ASP H H 8.657 0.010 1 629 57 63 ASP HA H 4.783 0.000 1 630 57 63 ASP HB2 H 2.546 0.007 2 631 57 63 ASP HB3 H 2.886 0.008 2 632 57 63 ASP C C 176.341 0.000 1 633 57 63 ASP CA C 52.988 0.000 1 634 57 63 ASP CB C 41.837 0.000 1 635 57 63 ASP N N 128.415 0.091 1 636 58 64 THR H H 7.369 0.005 1 637 58 64 THR HA H 4.425 0.006 1 638 58 64 THR HB H 4.256 0.007 1 639 58 64 THR HG2 H 1.075 0.005 2 640 58 64 THR C C 172.734 0.000 1 641 58 64 THR CA C 61.488 0.080 1 642 58 64 THR CB C 71.398 0.089 1 643 58 64 THR CG2 C 22.361 0.100 1 644 58 64 THR N N 114.950 0.115 1 645 59 65 ALA H H 8.329 0.004 1 646 59 65 ALA HA H 4.764 0.010 1 647 59 65 ALA HB H 1.491 0.004 1 648 59 65 ALA C C 179.480 0.000 1 649 59 65 ALA CA C 51.422 0.160 1 650 59 65 ALA CB C 20.796 0.038 1 651 59 65 ALA N N 123.940 0.084 1 652 60 66 GLY H H 9.397 0.004 1 653 60 66 GLY HA2 H 3.835 0.008 2 654 60 66 GLY HA3 H 4.337 0.005 2 655 60 66 GLY C C 174.938 0.000 1 656 60 66 GLY CA C 46.057 0.070 1 657 60 66 GLY N N 112.527 0.089 1 658 61 67 GLN H H 8.237 0.003 1 659 61 67 GLN HA H 4.422 0.006 1 660 61 67 GLN HB2 H 2.069 0.007 2 661 61 67 GLN HB3 H 2.229 0.004 2 662 61 67 GLN HG2 H 2.405 0.003 2 663 61 67 GLN HG3 H 2.450 0.001 2 664 61 67 GLN HE21 H 7.080 0.008 2 665 61 67 GLN HE22 H 7.629 0.004 2 666 61 67 GLN C C 176.298 0.000 1 667 61 67 GLN CA C 56.355 0.093 1 668 61 67 GLN CB C 29.438 0.079 1 669 61 67 GLN CG C 34.086 0.062 1 670 61 67 GLN N N 120.877 0.148 1 671 61 67 GLN NE2 N 113.943 0.061 1 672 62 68 GLU H H 8.738 0.015 1 673 62 68 GLU HA H 4.208 0.002 1 674 62 68 GLU HB2 H 2.029 0.005 2 675 62 68 GLU HB3 H 2.072 0.012 2 676 62 68 GLU HG2 H 2.328 0.006 2 677 62 68 GLU HG3 H 2.328 0.006 2 678 62 68 GLU C C 177.032 0.000 1 679 62 68 GLU CA C 57.801 0.120 1 680 62 68 GLU CB C 29.834 0.135 1 681 62 68 GLU CG C 36.189 0.036 1 682 62 68 GLU N N 123.751 0.098 1 683 63 69 GLU H H 8.607 0.008 1 684 63 69 GLU HA H 4.228 0.008 1 685 63 69 GLU HB2 H 1.886 0.003 2 686 63 69 GLU HB3 H 1.886 0.003 2 687 63 69 GLU HG2 H 2.090 0.000 2 688 63 69 GLU HG3 H 2.134 0.000 2 689 63 69 GLU C C 176.145 0.000 1 690 63 69 GLU CA C 57.026 0.027 1 691 63 69 GLU CB C 30.231 0.000 1 692 63 69 GLU CG C 36.006 0.062 1 693 63 69 GLU N N 121.861 0.094 1 694 64 70 TYR H H 8.225 0.007 1 695 64 70 TYR HA H 4.587 0.003 1 696 64 70 TYR HB2 H 2.945 0.010 2 697 64 70 TYR HB3 H 3.128 0.006 2 698 64 70 TYR HD1 H 7.104 0.008 3 699 64 70 TYR HD2 H 7.104 0.008 3 700 64 70 TYR HE1 H 6.816 0.010 3 701 64 70 TYR HE2 H 6.816 0.010 3 702 64 70 TYR C C 175.965 0.000 1 703 64 70 TYR CA C 58.160 0.111 1 704 64 70 TYR CB C 38.288 0.111 1 705 64 70 TYR CD1 C 132.903 0.092 3 706 64 70 TYR CD2 C 132.903 0.092 3 707 64 70 TYR CE1 C 118.308 0.000 3 708 64 70 TYR CE2 C 118.308 0.000 3 709 64 70 TYR N N 121.801 0.146 1 710 65 71 SER H H 7.884 0.006 1 711 65 71 SER HA H 4.269 0.005 1 712 65 71 SER HB2 H 3.807 0.002 2 713 65 71 SER HB3 H 3.970 0.008 2 714 65 71 SER C C 174.912 0.000 1 715 65 71 SER CA C 58.755 0.068 1 716 65 71 SER CB C 63.755 0.205 1 717 65 71 SER N N 120.137 0.075 1 718 66 72 ALA H H 8.706 0.006 1 719 66 72 ALA HA H 4.193 0.004 1 720 66 72 ALA HB H 1.468 0.005 1 721 66 72 ALA C C 179.820 0.000 1 722 66 72 ALA CA C 54.595 0.065 1 723 66 72 ALA CB C 18.264 0.109 1 724 66 72 ALA N N 127.848 0.035 1 725 67 73 MET H H 8.007 0.004 1 726 67 73 MET HA H 4.271 0.007 1 727 67 73 MET HB2 H 1.948 0.002 2 728 67 73 MET HB3 H 2.013 0.002 2 729 67 73 MET HG2 H 2.446 0.006 2 730 67 73 MET HG3 H 2.547 0.003 2 731 67 73 MET HE H 2.074 0.000 2 732 67 73 MET C C 177.098 0.000 1 733 67 73 MET CA C 56.915 0.000 1 734 67 73 MET CB C 32.031 0.159 1 735 67 73 MET CG C 32.028 0.081 1 736 67 73 MET CE C 16.890 0.058 1 737 67 73 MET N N 118.448 0.068 1 738 68 74 ARG H H 7.761 0.008 1 739 68 74 ARG HA H 3.793 0.005 1 740 68 74 ARG HB2 H 1.931 0.009 2 741 68 74 ARG HB3 H 1.931 0.009 2 742 68 74 ARG HG2 H 1.689 0.000 2 743 68 74 ARG HG3 H 1.747 0.001 2 744 68 74 ARG HD2 H 3.342 0.008 2 745 68 74 ARG HD3 H 3.342 0.008 2 746 68 74 ARG HE H 7.423 0.005 1 747 68 74 ARG C C 177.730 0.000 1 748 68 74 ARG CA C 59.093 0.112 1 749 68 74 ARG CB C 30.118 0.000 1 750 68 74 ARG CG C 27.323 0.169 1 751 68 74 ARG CD C 43.713 0.080 1 752 68 74 ARG N N 121.351 0.072 1 753 68 74 ARG NE N 85.415 0.055 1 754 69 75 ASP H H 8.077 0.004 1 755 69 75 ASP HA H 4.286 0.009 1 756 69 75 ASP HB2 H 2.626 0.007 2 757 69 75 ASP HB3 H 2.766 0.007 2 758 69 75 ASP C C 177.998 0.000 1 759 69 75 ASP CA C 57.555 0.126 1 760 69 75 ASP CB C 40.401 0.084 1 761 69 75 ASP N N 119.938 0.074 1 762 70 76 GLN H H 7.789 0.005 1 763 70 76 GLN HA H 4.050 0.010 1 764 70 76 GLN HB2 H 2.131 0.005 2 765 70 76 GLN HB3 H 2.176 0.004 2 766 70 76 GLN HG2 H 2.367 0.006 2 767 70 76 GLN HG3 H 2.367 0.006 2 768 70 76 GLN HE21 H 6.901 0.001 2 769 70 76 GLN HE22 H 7.466 0.001 2 770 70 76 GLN C C 178.837 0.000 1 771 70 76 GLN CA C 58.920 0.088 1 772 70 76 GLN CB C 28.063 0.069 1 773 70 76 GLN CG C 33.519 0.068 1 774 70 76 GLN N N 119.151 0.043 1 775 70 76 GLN NE2 N 113.254 0.141 1 776 71 77 TYR H H 8.131 0.006 1 777 71 77 TYR HA H 4.548 0.004 1 778 71 77 TYR HB2 H 2.999 0.007 2 779 71 77 TYR HB3 H 3.216 0.004 2 780 71 77 TYR HD1 H 7.038 0.007 3 781 71 77 TYR HD2 H 7.038 0.007 3 782 71 77 TYR HE1 H 6.835 0.006 3 783 71 77 TYR HE2 H 6.835 0.006 3 784 71 77 TYR C C 178.680 0.000 1 785 71 77 TYR CA C 58.785 0.060 1 786 71 77 TYR CB C 36.986 0.176 1 787 71 77 TYR CD1 C 132.415 0.012 3 788 71 77 TYR CD2 C 132.415 0.012 3 789 71 77 TYR CE1 C 118.419 0.000 3 790 71 77 TYR CE2 C 118.419 0.000 3 791 71 77 TYR N N 119.847 0.087 1 792 72 78 MET H H 8.380 0.004 1 793 72 78 MET HA H 4.402 0.007 1 794 72 78 MET HB2 H 1.966 0.003 2 795 72 78 MET HB3 H 2.359 0.007 2 796 72 78 MET HG2 H 2.457 0.012 2 797 72 78 MET HG3 H 2.980 0.005 2 798 72 78 MET HE H 2.085 0.005 2 799 72 78 MET C C 177.008 0.000 1 800 72 78 MET CA C 59.028 0.057 1 801 72 78 MET CB C 32.709 0.225 1 802 72 78 MET CG C 30.911 0.081 1 803 72 78 MET CE C 17.937 0.068 1 804 72 78 MET N N 119.987 0.072 1 805 73 79 ARG H H 7.992 0.007 1 806 73 79 ARG HA H 3.914 0.009 1 807 73 79 ARG HB2 H 1.953 0.005 2 808 73 79 ARG HB3 H 1.953 0.005 2 809 73 79 ARG HG2 H 1.697 0.002 2 810 73 79 ARG HG3 H 1.787 0.003 2 811 73 79 ARG HD2 H 3.218 0.004 2 812 73 79 ARG HD3 H 3.291 0.003 2 813 73 79 ARG C C 178.169 0.000 1 814 73 79 ARG CA C 59.493 0.080 1 815 73 79 ARG CB C 30.100 0.109 1 816 73 79 ARG CG C 30.434 0.122 1 817 73 79 ARG CD C 43.414 0.082 1 818 73 79 ARG N N 117.792 0.082 1 819 74 80 THR H H 7.718 0.007 1 820 74 80 THR HA H 4.242 0.007 1 821 74 80 THR HB H 4.271 0.003 1 822 74 80 THR HG2 H 1.289 0.002 2 823 74 80 THR C C 175.640 0.000 1 824 74 80 THR CA C 62.863 0.012 1 825 74 80 THR CB C 69.808 0.074 1 826 74 80 THR CG2 C 21.868 0.055 1 827 74 80 THR N N 110.012 0.053 1 828 75 81 GLY H H 7.852 0.003 1 829 75 81 GLY HA2 H 3.229 0.006 2 830 75 81 GLY HA3 H 3.531 0.009 2 831 75 81 GLY C C 172.419 0.000 1 832 75 81 GLY CA C 46.504 0.063 1 833 75 81 GLY N N 109.297 0.064 1 834 76 82 GLU H H 8.879 0.005 1 835 76 82 GLU HA H 4.523 0.006 1 836 76 82 GLU HB2 H 2.164 0.007 2 837 76 82 GLU HB3 H 2.348 0.008 2 838 76 82 GLU HG2 H 2.407 0.011 2 839 76 82 GLU HG3 H 2.493 0.004 2 840 76 82 GLU C C 176.409 0.000 1 841 76 82 GLU CA C 56.469 0.191 1 842 76 82 GLU CB C 32.049 0.090 1 843 76 82 GLU CG C 38.055 0.115 1 844 76 82 GLU N N 122.399 0.075 1 845 77 83 GLY H H 7.192 0.007 1 846 77 83 GLY HA2 H 3.174 0.007 2 847 77 83 GLY HA3 H 4.925 0.012 2 848 77 83 GLY C C 170.803 0.000 1 849 77 83 GLY CA C 45.453 0.189 1 850 77 83 GLY N N 102.282 7.250 1 851 78 84 PHE H H 8.224 0.011 1 852 78 84 PHE HA H 5.448 0.005 1 853 78 84 PHE HB2 H 2.764 0.007 2 854 78 84 PHE HB3 H 2.764 0.007 2 855 78 84 PHE HD1 H 7.085 0.006 3 856 78 84 PHE HD2 H 7.085 0.006 3 857 78 84 PHE HE1 H 7.096 0.013 3 858 78 84 PHE HE2 H 7.096 0.013 3 859 78 84 PHE HZ H 7.726 0.011 1 860 78 84 PHE C C 173.734 0.000 1 861 78 84 PHE CA C 57.065 0.149 1 862 78 84 PHE CB C 42.997 0.034 1 863 78 84 PHE CD1 C 132.747 0.000 3 864 78 84 PHE CD2 C 132.747 0.000 3 865 78 84 PHE CE1 C 129.889 0.093 3 866 78 84 PHE CE2 C 129.889 0.093 3 867 78 84 PHE N N 122.648 0.147 1 868 79 85 LEU H H 9.189 0.004 1 869 79 85 LEU HA H 4.690 0.007 1 870 79 85 LEU HB2 H 1.246 0.002 2 871 79 85 LEU HB3 H 1.537 0.005 2 872 79 85 LEU HG H 1.102 0.003 1 873 79 85 LEU HD1 H 0.098 0.005 2 874 79 85 LEU HD2 H 0.154 0.001 2 875 79 85 LEU C C 174.690 0.000 1 876 79 85 LEU CA C 53.981 0.247 1 877 79 85 LEU CB C 43.058 0.065 1 878 79 85 LEU CG C 26.683 0.072 1 879 79 85 LEU CD1 C 25.015 0.043 2 880 79 85 LEU CD2 C 25.672 0.041 2 881 79 85 LEU N N 127.298 0.078 1 882 80 86 CYS H H 8.720 0.004 1 883 80 86 CYS HA H 4.689 0.008 1 884 80 86 CYS HB2 H 2.667 0.005 2 885 80 86 CYS HB3 H 2.986 0.011 2 886 80 86 CYS C C 172.664 0.000 1 887 80 86 CYS CA C 57.767 0.051 1 888 80 86 CYS CB C 27.397 0.052 1 889 80 86 CYS N N 125.581 0.102 1 890 81 87 VAL H H 9.028 0.006 1 891 81 87 VAL HA H 4.983 0.007 1 892 81 87 VAL HB H 1.774 0.007 1 893 81 87 VAL HG1 H 0.554 0.007 2 894 81 87 VAL HG2 H 0.662 0.007 2 895 81 87 VAL C C 175.119 0.000 1 896 81 87 VAL CA C 61.275 0.044 1 897 81 87 VAL CB C 33.407 0.153 1 898 81 87 VAL CG1 C 22.663 0.044 2 899 81 87 VAL CG2 C 22.092 0.186 2 900 81 87 VAL N N 127.252 0.039 1 901 82 88 PHE H H 9.306 0.005 1 902 82 88 PHE HA H 4.992 0.005 1 903 82 88 PHE HB2 H 2.916 0.007 2 904 82 88 PHE HB3 H 3.705 0.011 2 905 82 88 PHE HD1 H 7.383 0.008 3 906 82 88 PHE HD2 H 7.383 0.008 3 907 82 88 PHE C C 171.162 0.000 1 908 82 88 PHE CA C 55.349 0.223 1 909 82 88 PHE CB C 40.430 0.125 1 910 82 88 PHE N N 125.157 0.055 1 911 83 89 ALA H H 8.692 0.005 1 912 83 89 ALA HA H 5.082 0.006 1 913 83 89 ALA HB H 1.484 0.006 1 914 83 89 ALA C C 179.267 0.000 1 915 83 89 ALA CA C 49.635 0.081 1 916 83 89 ALA CB C 21.739 0.071 1 917 83 89 ALA N N 122.321 0.051 1 918 84 90 ILE H H 8.461 0.007 1 919 84 90 ILE HA H 4.054 0.007 1 920 84 90 ILE HB H 2.364 0.005 1 921 84 90 ILE HG12 H 1.067 0.007 2 922 84 90 ILE HG13 H 1.270 0.009 2 923 84 90 ILE HG2 H 0.810 0.004 1 924 84 90 ILE HD1 H 0.783 0.003 1 925 84 90 ILE C C 174.164 0.000 1 926 84 90 ILE CA C 63.169 0.122 1 927 84 90 ILE CB C 38.174 0.037 1 928 84 90 ILE CG1 C 27.031 0.154 1 929 84 90 ILE CG2 C 20.117 0.061 1 930 84 90 ILE CD1 C 15.249 0.046 1 931 84 90 ILE N N 114.459 0.041 1 932 85 91 ASN H H 7.906 0.008 1 933 85 91 ASN HA H 5.049 0.008 1 934 85 91 ASN HB2 H 2.370 0.009 2 935 85 91 ASN HB3 H 3.350 0.006 2 936 85 91 ASN HD21 H 6.905 0.003 2 937 85 91 ASN HD22 H 7.853 0.012 2 938 85 91 ASN C C 174.583 0.000 1 939 85 91 ASN CA C 52.161 0.057 1 940 85 91 ASN CB C 38.132 0.074 1 941 85 91 ASN N N 118.240 0.056 1 942 85 91 ASN ND2 N 114.490 0.104 1 943 86 92 ASN H H 7.931 0.006 1 944 86 92 ASN HA H 5.080 0.008 1 945 86 92 ASN HB2 H 2.496 0.009 2 946 86 92 ASN HB3 H 3.229 0.006 2 947 86 92 ASN HD21 H 7.194 0.007 2 948 86 92 ASN HD22 H 8.076 0.003 2 949 86 92 ASN C C 175.090 0.000 1 950 86 92 ASN CA C 52.041 0.167 1 951 86 92 ASN CB C 39.203 0.096 1 952 86 92 ASN N N 120.345 0.187 1 953 86 92 ASN ND2 N 113.807 0.081 1 954 87 93 THR H H 9.272 0.005 1 955 87 93 THR HA H 3.772 0.007 1 956 87 93 THR HB H 4.171 0.004 1 957 87 93 THR HG2 H 1.325 0.004 2 958 87 93 THR C C 176.012 0.000 1 959 87 93 THR CA C 66.753 0.062 1 960 87 93 THR CB C 68.400 0.079 1 961 87 93 THR CG2 C 22.650 0.054 1 962 87 93 THR N N 125.665 0.000 1 963 88 94 LYS H H 8.456 0.003 1 964 88 94 LYS HA H 4.186 0.008 1 965 88 94 LYS HB2 H 1.947 0.005 2 966 88 94 LYS HB3 H 2.061 0.002 2 967 88 94 LYS HG2 H 1.550 0.003 2 968 88 94 LYS HG3 H 1.550 0.003 2 969 88 94 LYS HD2 H 1.691 0.003 2 970 88 94 LYS HD3 H 1.843 0.002 2 971 88 94 LYS HE2 H 3.088 0.003 2 972 88 94 LYS HE3 H 3.088 0.003 2 973 88 94 LYS C C 178.027 0.000 1 974 88 94 LYS CA C 59.359 0.104 1 975 88 94 LYS CB C 31.292 0.123 1 976 88 94 LYS CG C 24.836 0.053 1 977 88 94 LYS CD C 28.488 0.007 1 978 88 94 LYS CE C 42.395 0.025 1 979 88 94 LYS N N 125.404 0.099 1 980 89 95 SER H H 7.970 0.007 1 981 89 95 SER HA H 4.188 0.007 1 982 89 95 SER HB2 H 4.049 0.008 2 983 89 95 SER HB3 H 4.486 0.008 2 984 89 95 SER C C 175.751 0.000 1 985 89 95 SER CA C 61.751 0.101 1 986 89 95 SER CB C 63.530 0.215 1 987 89 95 SER N N 115.491 0.081 1 988 90 96 PHE H H 7.419 0.004 1 989 90 96 PHE HA H 4.037 0.008 1 990 90 96 PHE HB2 H 2.746 0.006 2 991 90 96 PHE HB3 H 3.274 0.007 2 992 90 96 PHE HD1 H 6.003 0.005 3 993 90 96 PHE HD2 H 6.003 0.005 3 994 90 96 PHE HE1 H 6.785 0.007 3 995 90 96 PHE HE2 H 6.785 0.007 3 996 90 96 PHE HZ H 6.757 0.001 1 997 90 96 PHE C C 177.267 0.000 1 998 90 96 PHE CA C 59.688 0.074 1 999 90 96 PHE CB C 40.175 0.131 1 1000 90 96 PHE CD1 C 131.466 0.067 3 1001 90 96 PHE CD2 C 131.466 0.067 3 1002 90 96 PHE N N 125.899 0.073 1 1003 91 97 GLU H H 8.449 0.010 1 1004 91 97 GLU HA H 3.787 0.004 1 1005 91 97 GLU HB2 H 2.100 0.006 2 1006 91 97 GLU HB3 H 2.277 0.004 2 1007 91 97 GLU HG2 H 2.288 0.009 2 1008 91 97 GLU HG3 H 2.561 0.004 2 1009 91 97 GLU C C 179.628 0.000 1 1010 91 97 GLU CA C 59.004 0.047 1 1011 91 97 GLU CB C 29.261 0.075 1 1012 91 97 GLU CG C 36.612 0.069 1 1013 91 97 GLU N N 122.834 0.056 1 1014 92 98 ASP H H 8.492 0.002 1 1015 92 98 ASP HA H 4.553 0.006 1 1016 92 98 ASP HB2 H 2.875 0.005 2 1017 92 98 ASP HB3 H 2.875 0.005 2 1018 92 98 ASP C C 177.582 0.000 1 1019 92 98 ASP CA C 56.171 0.059 1 1020 92 98 ASP CB C 41.184 0.241 1 1021 92 98 ASP N N 118.617 0.057 1 1022 93 99 ILE H H 7.583 0.007 1 1023 93 99 ILE HA H 3.954 0.004 1 1024 93 99 ILE HB H 2.238 0.003 1 1025 93 99 ILE HG12 H 1.387 0.007 2 1026 93 99 ILE HG13 H 2.246 0.003 2 1027 93 99 ILE HG2 H 0.945 0.006 1 1028 93 99 ILE HD1 H 0.822 0.007 1 1029 93 99 ILE C C 177.442 0.000 1 1030 93 99 ILE CA C 62.370 0.078 1 1031 93 99 ILE CB C 34.570 0.057 1 1032 93 99 ILE CG1 C 26.665 0.137 1 1033 93 99 ILE CG2 C 17.307 0.064 1 1034 93 99 ILE CD1 C 9.223 0.117 1 1035 93 99 ILE N N 121.939 0.055 1 1036 94 100 HIS H H 7.799 0.006 1 1037 94 100 HIS HA H 4.273 0.006 1 1038 94 100 HIS HB2 H 3.106 0.007 2 1039 94 100 HIS HB3 H 3.223 0.006 2 1040 94 100 HIS HD2 H 7.100 0.006 1 1041 94 100 HIS HE1 H 7.903 0.008 1 1042 94 100 HIS C C 177.345 0.000 1 1043 94 100 HIS CA C 60.090 0.155 1 1044 94 100 HIS CB C 30.512 0.035 1 1045 94 100 HIS CD2 C 119.360 0.000 1 1046 94 100 HIS CE1 C 138.470 0.000 1 1047 94 100 HIS N N 118.387 0.183 1 1048 95 101 GLN H H 7.468 0.004 1 1049 95 101 GLN HA H 3.941 0.005 1 1050 95 101 GLN HB2 H 1.904 0.001 2 1051 95 101 GLN HB3 H 1.984 0.009 2 1052 95 101 GLN HG2 H 2.194 0.003 2 1053 95 101 GLN HG3 H 2.247 0.002 2 1054 95 101 GLN HE21 H 6.708 0.004 2 1055 95 101 GLN HE22 H 7.263 0.003 2 1056 95 101 GLN C C 179.155 0.000 1 1057 95 101 GLN CA C 58.371 0.073 1 1058 95 101 GLN CB C 27.807 0.067 1 1059 95 101 GLN CG C 33.671 0.093 1 1060 95 101 GLN N N 117.673 0.062 1 1061 95 101 GLN NE2 N 112.519 0.094 1 1062 96 102 TYR H H 7.600 0.003 1 1063 96 102 TYR HA H 4.064 0.003 1 1064 96 102 TYR HB2 H 2.868 0.007 2 1065 96 102 TYR HB3 H 2.951 0.005 2 1066 96 102 TYR HD1 H 7.097 0.011 3 1067 96 102 TYR HD2 H 7.097 0.011 3 1068 96 102 TYR HE1 H 6.830 0.006 3 1069 96 102 TYR HE2 H 6.830 0.006 3 1070 96 102 TYR C C 177.660 0.000 1 1071 96 102 TYR CA C 62.847 0.032 1 1072 96 102 TYR CB C 37.795 0.086 1 1073 96 102 TYR CD1 C 132.407 0.054 3 1074 96 102 TYR CD2 C 132.407 0.054 3 1075 96 102 TYR CE1 C 118.393 0.000 3 1076 96 102 TYR CE2 C 118.393 0.000 3 1077 96 102 TYR N N 120.407 0.149 1 1078 97 103 ARG H H 8.395 0.008 1 1079 97 103 ARG HA H 3.616 0.006 1 1080 97 103 ARG HB2 H 1.341 0.005 2 1081 97 103 ARG HB3 H 1.763 0.004 2 1082 97 103 ARG HG2 H 1.075 0.006 2 1083 97 103 ARG HG3 H 1.111 0.004 2 1084 97 103 ARG HD2 H 1.959 0.002 2 1085 97 103 ARG HD3 H 2.178 0.007 2 1086 97 103 ARG C C 177.618 0.000 1 1087 97 103 ARG CA C 59.938 0.046 1 1088 97 103 ARG CB C 28.599 0.083 1 1089 97 103 ARG CG C 27.874 0.045 1 1090 97 103 ARG CD C 42.768 0.113 1 1091 97 103 ARG N N 119.974 0.056 1 1092 98 104 GLU H H 7.970 0.009 1 1093 98 104 GLU HA H 3.781 0.004 1 1094 98 104 GLU HB2 H 1.956 0.007 2 1095 98 104 GLU HB3 H 1.956 0.007 2 1096 98 104 GLU HG2 H 2.042 0.002 2 1097 98 104 GLU HG3 H 2.109 0.002 2 1098 98 104 GLU C C 178.982 0.000 1 1099 98 104 GLU CA C 58.900 0.021 1 1100 98 104 GLU CB C 29.435 0.000 1 1101 98 104 GLU CG C 36.079 0.053 1 1102 98 104 GLU N N 118.351 0.095 1 1103 99 105 GLN H H 7.907 0.002 1 1104 99 105 GLN HA H 3.946 0.005 1 1105 99 105 GLN HB2 H 2.063 0.004 2 1106 99 105 GLN HB3 H 2.125 0.000 2 1107 99 105 GLN HG2 H 2.313 0.006 2 1108 99 105 GLN HG3 H 2.412 0.007 2 1109 99 105 GLN HE21 H 6.599 0.004 2 1110 99 105 GLN HE22 H 7.308 0.002 2 1111 99 105 GLN C C 177.701 0.000 1 1112 99 105 GLN CA C 59.037 0.143 1 1113 99 105 GLN CB C 27.938 0.066 1 1114 99 105 GLN CG C 33.420 0.044 1 1115 99 105 GLN N N 121.350 0.055 1 1116 99 105 GLN NE2 N 111.545 0.062 1 1117 100 106 ILE H H 7.920 0.006 1 1118 100 106 ILE HA H 3.177 0.005 1 1119 100 106 ILE HB H 1.417 0.004 1 1120 100 106 ILE HG12 H -0.069 0.007 2 1121 100 106 ILE HG13 H 1.620 0.005 2 1122 100 106 ILE HG2 H -0.049 0.006 1 1123 100 106 ILE HD1 H 0.378 0.003 1 1124 100 106 ILE C C 177.199 0.000 1 1125 100 106 ILE CA C 65.682 0.047 1 1126 100 106 ILE CB C 37.874 0.044 1 1127 100 106 ILE CG1 C 29.647 0.094 1 1128 100 106 ILE CG2 C 17.838 0.078 1 1129 100 106 ILE CD1 C 15.679 0.050 1 1130 100 106 ILE N N 121.310 0.127 1 1131 101 107 LYS H H 7.782 0.004 1 1132 101 107 LYS HA H 3.951 0.005 1 1133 101 107 LYS HB2 H 1.683 0.007 2 1134 101 107 LYS HB3 H 1.797 0.006 2 1135 101 107 LYS HG2 H 1.400 0.009 2 1136 101 107 LYS HG3 H 1.463 0.005 2 1137 101 107 LYS HD2 H 1.506 0.006 2 1138 101 107 LYS HD3 H 1.563 0.003 2 1139 101 107 LYS HE2 H 2.844 0.012 2 1140 101 107 LYS HE3 H 2.844 0.012 2 1141 101 107 LYS C C 179.476 0.000 1 1142 101 107 LYS CA C 59.571 0.062 1 1143 101 107 LYS CB C 32.227 0.114 1 1144 101 107 LYS CG C 25.040 0.099 1 1145 101 107 LYS CD C 29.835 0.092 1 1146 101 107 LYS CE C 41.323 0.000 1 1147 101 107 LYS N N 118.584 0.237 1 1148 102 108 ARG H H 7.777 0.002 1 1149 102 108 ARG HA H 4.082 0.006 1 1150 102 108 ARG HB2 H 1.890 0.002 2 1151 102 108 ARG HB3 H 1.942 0.006 2 1152 102 108 ARG HG2 H 1.545 0.007 2 1153 102 108 ARG HG3 H 1.675 0.004 2 1154 102 108 ARG HD2 H 3.192 0.002 2 1155 102 108 ARG HD3 H 3.235 0.000 2 1156 102 108 ARG C C 179.582 0.000 1 1157 102 108 ARG CA C 58.946 0.087 1 1158 102 108 ARG CB C 30.097 0.123 1 1159 102 108 ARG CG C 27.134 0.102 1 1160 102 108 ARG CD C 43.223 0.084 1 1161 102 108 ARG N N 119.152 0.069 1 1162 103 109 VAL H H 8.282 0.003 1 1163 103 109 VAL HA H 3.837 0.006 1 1164 103 109 VAL HB H 2.055 0.004 1 1165 103 109 VAL HG1 H 0.951 0.005 2 1166 103 109 VAL HG2 H 1.056 0.005 2 1167 103 109 VAL C C 177.919 0.000 1 1168 103 109 VAL CA C 65.393 0.061 1 1169 103 109 VAL CB C 31.599 0.019 1 1170 103 109 VAL CG1 C 21.559 0.114 2 1171 103 109 VAL CG2 C 22.317 0.044 2 1172 103 109 VAL N N 119.544 0.112 1 1173 104 110 LYS H H 8.117 0.003 1 1174 104 110 LYS HA H 4.269 0.007 1 1175 104 110 LYS HB2 H 1.821 0.011 2 1176 104 110 LYS HB3 H 1.821 0.011 2 1177 104 110 LYS HG2 H 1.442 0.007 2 1178 104 110 LYS HG3 H 1.608 0.009 2 1179 104 110 LYS HD2 H 1.856 0.010 2 1180 104 110 LYS HD3 H 1.945 0.011 2 1181 104 110 LYS HE2 H 3.242 0.007 2 1182 104 110 LYS HE3 H 3.282 0.003 2 1183 104 110 LYS C C 175.878 0.000 1 1184 104 110 LYS CA C 54.797 0.032 1 1185 104 110 LYS CB C 30.687 0.000 1 1186 104 110 LYS CG C 24.248 0.108 1 1187 104 110 LYS CD C 27.526 0.057 1 1188 104 110 LYS CE C 41.837 0.000 1 1189 104 110 LYS N N 117.592 0.178 1 1190 105 111 ASP H H 7.958 0.008 1 1191 105 111 ASP HA H 4.306 0.006 1 1192 105 111 ASP HB2 H 2.329 0.006 2 1193 105 111 ASP HB3 H 3.129 0.004 2 1194 105 111 ASP C C 174.496 0.000 1 1195 105 111 ASP CA C 54.442 0.029 1 1196 105 111 ASP CB C 39.792 0.041 1 1197 105 111 ASP N N 122.118 0.090 1 1198 106 112 SER H H 7.539 0.003 1 1199 106 112 SER HA H 4.565 0.005 1 1200 106 112 SER HB2 H 3.202 0.007 2 1201 106 112 SER HB3 H 3.802 0.006 2 1202 106 112 SER C C 172.985 0.000 1 1203 106 112 SER CA C 56.779 0.126 1 1204 106 112 SER CB C 65.259 0.082 1 1205 106 112 SER N N 110.372 0.040 1 1206 107 113 ASP H H 8.385 0.004 1 1207 107 113 ASP HA H 4.665 0.010 1 1208 107 113 ASP HB2 H 2.620 0.002 2 1209 107 113 ASP HB3 H 2.682 0.002 2 1210 107 113 ASP C C 176.066 0.000 1 1211 107 113 ASP CA C 54.267 0.051 1 1212 107 113 ASP CB C 41.837 0.000 1 1213 107 113 ASP N N 123.301 0.047 1 1214 108 114 ASP H H 8.404 0.003 1 1215 108 114 ASP HA H 4.882 0.005 1 1216 108 114 ASP HB2 H 2.534 0.005 2 1217 108 114 ASP HB3 H 2.758 0.009 2 1218 108 114 ASP C C 174.386 0.000 1 1219 108 114 ASP CA C 53.143 0.041 1 1220 108 114 ASP CB C 41.323 0.000 1 1221 108 114 ASP N N 122.347 0.113 1 1222 109 115 VAL H H 7.649 0.004 1 1223 109 115 VAL HA H 4.337 0.006 1 1224 109 115 VAL HB H 1.727 0.006 1 1225 109 115 VAL HG1 H 0.777 0.004 2 1226 109 115 VAL HG2 H 0.986 0.005 2 1227 109 115 VAL CA C 58.984 0.052 1 1228 109 115 VAL CB C 34.932 0.128 1 1229 109 115 VAL CG1 C 21.569 0.042 2 1230 109 115 VAL CG2 C 21.203 0.079 2 1231 109 115 VAL N N 123.609 0.056 1 1232 110 116 PRO HA H 4.430 0.006 1 1233 110 116 PRO HB2 H 1.840 0.004 2 1234 110 116 PRO HB3 H 2.129 0.011 2 1235 110 116 PRO HG2 H 1.564 0.006 2 1236 110 116 PRO HG3 H 2.224 0.006 2 1237 110 116 PRO HD2 H 3.790 0.008 2 1238 110 116 PRO HD3 H 3.790 0.008 2 1239 110 116 PRO C C 175.942 0.000 1 1240 110 116 PRO CA C 63.872 0.074 1 1241 110 116 PRO CB C 32.120 0.130 1 1242 110 116 PRO CG C 28.469 0.077 1 1243 110 116 PRO CD C 51.260 0.074 1 1244 111 117 MET H H 8.274 0.012 1 1245 111 117 MET HA H 5.777 0.005 1 1246 111 117 MET HB2 H 2.111 0.006 2 1247 111 117 MET HB3 H 2.111 0.006 2 1248 111 117 MET HG2 H 2.627 0.004 2 1249 111 117 MET HG3 H 2.675 0.005 2 1250 111 117 MET HE H 1.852 0.007 2 1251 111 117 MET C C 173.737 0.000 1 1252 111 117 MET CA C 55.094 0.142 1 1253 111 117 MET CB C 37.889 0.046 1 1254 111 117 MET CG C 32.471 0.053 1 1255 111 117 MET CE C 17.234 0.054 1 1256 111 117 MET N N 124.020 0.047 1 1257 112 118 VAL H H 8.119 0.006 1 1258 112 118 VAL HA H 4.341 0.006 1 1259 112 118 VAL HB H 1.773 0.007 1 1260 112 118 VAL HG1 H 0.764 0.004 2 1261 112 118 VAL HG2 H 0.792 0.003 2 1262 112 118 VAL C C 173.171 0.000 1 1263 112 118 VAL CA C 60.943 0.115 1 1264 112 118 VAL CB C 37.030 0.050 1 1265 112 118 VAL CG1 C 21.317 0.032 2 1266 112 118 VAL CG2 C 22.196 0.090 2 1267 112 118 VAL N N 118.747 0.056 1 1268 113 119 LEU H H 8.918 0.006 1 1269 113 119 LEU HA H 5.157 0.010 1 1270 113 119 LEU HB2 H 1.431 0.011 2 1271 113 119 LEU HB3 H 2.522 0.010 2 1272 113 119 LEU HG H 2.072 0.012 1 1273 113 119 LEU HD1 H 1.073 0.004 2 1274 113 119 LEU HD2 H 1.371 0.004 2 1275 113 119 LEU C C 173.496 0.000 1 1276 113 119 LEU CA C 53.828 0.127 1 1277 113 119 LEU CB C 43.876 0.075 1 1278 113 119 LEU CG C 28.208 0.243 1 1279 113 119 LEU CD1 C 27.393 0.134 2 1280 113 119 LEU CD2 C 25.407 0.046 2 1281 113 119 LEU N N 129.931 0.077 1 1282 114 120 VAL H H 9.173 0.005 1 1283 114 120 VAL HA H 5.117 0.009 1 1284 114 120 VAL HB H 1.693 0.007 1 1285 114 120 VAL HG1 H 0.617 0.007 2 1286 114 120 VAL HG2 H 0.692 0.007 2 1287 114 120 VAL C C 173.667 0.000 1 1288 114 120 VAL CA C 60.124 0.129 1 1289 114 120 VAL CB C 35.225 0.035 1 1290 114 120 VAL CG1 C 23.047 0.056 2 1291 114 120 VAL CG2 C 23.167 0.104 2 1292 114 120 VAL N N 129.371 0.097 1 1293 115 121 GLY H H 8.046 0.006 1 1294 115 121 GLY HA2 H 2.825 0.005 2 1295 115 121 GLY HA3 H 2.825 0.005 2 1296 115 121 GLY C C 171.603 0.000 1 1297 115 121 GLY CA C 45.256 0.071 1 1298 115 121 GLY N N 115.789 0.077 1 1299 116 122 ASN H H 8.756 0.008 1 1300 116 122 ASN HA H 5.620 0.005 1 1301 116 122 ASN HB2 H 2.182 0.008 2 1302 116 122 ASN HB3 H 2.524 0.008 2 1303 116 122 ASN HD21 H 7.326 0.008 2 1304 116 122 ASN HD22 H 8.839 0.005 2 1305 116 122 ASN C C 174.732 0.000 1 1306 116 122 ASN CA C 51.492 0.082 1 1307 116 122 ASN CB C 41.323 0.000 1 1308 116 122 ASN N N 122.349 0.074 1 1309 116 122 ASN ND2 N 120.818 0.141 1 1310 117 123 LYS H H 7.342 0.003 1 1311 117 123 LYS HA H 4.280 0.005 1 1312 117 123 LYS HB2 H 1.671 0.004 2 1313 117 123 LYS HB3 H 2.377 0.008 2 1314 117 123 LYS C C 177.324 0.000 1 1315 117 123 LYS CA C 57.273 0.044 1 1316 117 123 LYS CB C 29.775 0.000 1 1317 117 123 LYS N N 113.297 0.160 1 1318 118 124 CYS H H 8.763 0.004 1 1319 118 124 CYS HA H 4.292 0.006 1 1320 118 124 CYS HB2 H 2.540 0.006 2 1321 118 124 CYS HB3 H 3.097 0.005 2 1322 118 124 CYS C C 173.325 0.000 1 1323 118 124 CYS CA C 60.698 0.142 1 1324 118 124 CYS CB C 26.387 0.049 1 1325 118 124 CYS N N 115.340 0.121 1 1326 119 125 ASP H H 8.613 0.006 1 1327 119 125 ASP HA H 4.476 0.006 1 1328 119 125 ASP HB2 H 2.610 0.003 2 1329 119 125 ASP HB3 H 2.610 0.003 2 1330 119 125 ASP C C 175.464 0.000 1 1331 119 125 ASP CA C 53.951 0.147 1 1332 119 125 ASP CB C 41.323 0.000 1 1333 119 125 ASP N N 118.603 0.084 1 1334 120 126 LEU H H 7.802 0.005 1 1335 120 126 LEU HA H 4.241 0.008 1 1336 120 126 LEU HB2 H 1.323 0.007 2 1337 120 126 LEU HB3 H 1.916 0.005 2 1338 120 126 LEU HG H 1.715 0.007 1 1339 120 126 LEU HD1 H 0.855 0.002 2 1340 120 126 LEU HD2 H 0.882 0.003 2 1341 120 126 LEU C C 176.420 0.000 1 1342 120 126 LEU CA C 54.723 0.155 1 1343 120 126 LEU CB C 41.837 0.000 1 1344 120 126 LEU CG C 26.382 0.000 1 1345 120 126 LEU CD1 C 22.125 0.172 2 1346 120 126 LEU CD2 C 27.009 0.091 2 1347 120 126 LEU N N 122.098 0.102 1 1348 121 127 ALA H H 8.160 0.005 1 1349 121 127 ALA HA H 4.214 0.003 1 1350 121 127 ALA HB H 1.443 0.002 1 1351 121 127 ALA C C 178.717 0.000 1 1352 121 127 ALA CA C 53.179 0.049 1 1353 121 127 ALA CB C 18.871 0.018 1 1354 121 127 ALA N N 123.959 0.115 1 1355 122 128 ALA H H 7.698 0.003 1 1356 122 128 ALA HA H 4.524 0.007 1 1357 122 128 ALA HB H 1.328 0.003 1 1358 122 128 ALA C C 175.272 0.000 1 1359 122 128 ALA CA C 51.259 0.080 1 1360 122 128 ALA CB C 17.623 0.036 1 1361 122 128 ALA N N 123.078 0.058 1 1362 123 129 ARG H H 7.992 0.003 1 1363 123 129 ARG HA H 4.093 0.006 1 1364 123 129 ARG HB2 H 1.621 0.006 2 1365 123 129 ARG HB3 H 1.875 0.006 2 1366 123 129 ARG HG2 H 1.421 0.006 2 1367 123 129 ARG HG3 H 1.456 0.003 2 1368 123 129 ARG HD2 H 3.143 0.008 2 1369 123 129 ARG HD3 H 3.466 0.005 2 1370 123 129 ARG HE H 7.151 0.008 1 1371 123 129 ARG C C 176.271 0.000 1 1372 123 129 ARG CA C 55.596 0.085 1 1373 123 129 ARG CB C 32.696 0.153 1 1374 123 129 ARG CG C 27.075 0.089 1 1375 123 129 ARG CD C 44.321 0.144 1 1376 123 129 ARG N N 121.454 0.089 1 1377 123 129 ARG NE N 84.444 0.041 1 1378 124 130 THR H H 9.145 0.005 1 1379 124 130 THR HA H 4.564 0.006 1 1380 124 130 THR HB H 4.272 0.005 1 1381 124 130 THR HG2 H 1.113 0.003 2 1382 124 130 THR C C 174.119 0.000 1 1383 124 130 THR CA C 61.746 0.036 1 1384 124 130 THR CB C 69.094 0.046 1 1385 124 130 THR CG2 C 22.254 0.029 1 1386 124 130 THR N N 115.617 0.090 1 1387 125 131 VAL H H 7.618 0.005 1 1388 125 131 VAL HA H 4.015 0.007 1 1389 125 131 VAL HB H 1.829 0.004 1 1390 125 131 VAL HG1 H -0.117 0.006 2 1391 125 131 VAL HG2 H 0.694 0.004 2 1392 125 131 VAL C C 175.658 0.000 1 1393 125 131 VAL CA C 61.373 0.079 1 1394 125 131 VAL CB C 33.147 0.097 1 1395 125 131 VAL CG1 C 19.104 0.038 2 1396 125 131 VAL CG2 C 20.145 0.145 2 1397 125 131 VAL N N 125.688 0.068 1 1398 126 132 GLU H H 8.727 0.006 1 1399 126 132 GLU HA H 4.228 0.005 1 1400 126 132 GLU HB2 H 1.846 0.004 2 1401 126 132 GLU HB3 H 2.252 0.003 2 1402 126 132 GLU HG2 H 2.264 0.007 2 1403 126 132 GLU HG3 H 2.390 0.004 2 1404 126 132 GLU C C 177.986 0.000 1 1405 126 132 GLU CA C 56.323 0.103 1 1406 126 132 GLU CB C 30.158 0.090 1 1407 126 132 GLU CG C 36.090 0.103 1 1408 126 132 GLU N N 128.319 0.071 1 1409 127 133 SER H H 9.421 0.003 1 1410 127 133 SER HA H 4.074 0.011 1 1411 127 133 SER HB2 H 3.928 0.008 2 1412 127 133 SER HB3 H 3.928 0.008 2 1413 127 133 SER C C 176.633 0.000 1 1414 127 133 SER CA C 62.598 0.053 1 1415 127 133 SER CB C 62.511 0.029 1 1416 127 133 SER N N 122.970 0.047 1 1417 128 134 ARG H H 8.675 0.006 1 1418 128 134 ARG HA H 4.028 0.007 1 1419 128 134 ARG HB2 H 1.711 0.004 2 1420 128 134 ARG HB3 H 1.892 0.005 2 1421 128 134 ARG HG2 H 1.621 0.006 2 1422 128 134 ARG HG3 H 1.621 0.006 2 1423 128 134 ARG HD2 H 3.158 0.003 2 1424 128 134 ARG HD3 H 3.207 0.003 2 1425 128 134 ARG C C 177.739 0.000 1 1426 128 134 ARG CA C 58.785 0.035 1 1427 128 134 ARG CB C 29.752 0.075 1 1428 128 134 ARG CG C 26.602 0.090 1 1429 128 134 ARG CD C 43.157 0.095 1 1430 128 134 ARG N N 119.141 0.037 1 1431 129 135 GLN H H 6.796 0.006 1 1432 129 135 GLN HA H 4.091 0.010 1 1433 129 135 GLN HB2 H 1.931 0.004 2 1434 129 135 GLN HB3 H 2.049 0.005 2 1435 129 135 GLN HG2 H 2.314 0.007 2 1436 129 135 GLN HG3 H 2.314 0.007 2 1437 129 135 GLN HE21 H 6.979 0.007 2 1438 129 135 GLN HE22 H 7.607 0.003 2 1439 129 135 GLN C C 179.009 0.000 1 1440 129 135 GLN CA C 58.389 0.088 1 1441 129 135 GLN CB C 28.916 0.176 1 1442 129 135 GLN CG C 34.586 0.066 1 1443 129 135 GLN N N 118.050 0.042 1 1444 129 135 GLN NE2 N 112.861 0.070 1 1445 130 136 ALA H H 7.017 0.006 1 1446 130 136 ALA HA H 3.933 0.006 1 1447 130 136 ALA HB H 0.855 0.005 1 1448 130 136 ALA C C 178.155 0.000 1 1449 130 136 ALA CA C 54.760 0.053 1 1450 130 136 ALA CB C 18.546 0.091 1 1451 130 136 ALA N N 124.769 0.055 1 1452 131 137 GLN H H 8.602 0.005 1 1453 131 137 GLN HA H 3.720 0.004 1 1454 131 137 GLN HB2 H 2.041 0.008 2 1455 131 137 GLN HB3 H 2.163 0.007 2 1456 131 137 GLN HG2 H 2.538 0.005 2 1457 131 137 GLN HG3 H 2.538 0.005 2 1458 131 137 GLN HE21 H 6.980 0.008 2 1459 131 137 GLN HE22 H 7.515 0.006 2 1460 131 137 GLN C C 179.387 0.000 1 1461 131 137 GLN CA C 58.815 0.062 1 1462 131 137 GLN CB C 28.503 0.115 1 1463 131 137 GLN CG C 34.503 0.057 1 1464 131 137 GLN N N 119.215 0.089 1 1465 131 137 GLN NE2 N 112.465 0.107 1 1466 132 138 ASP H H 8.203 0.005 1 1467 132 138 ASP HA H 4.371 0.005 1 1468 132 138 ASP HB2 H 2.576 0.006 2 1469 132 138 ASP HB3 H 2.766 0.004 2 1470 132 138 ASP C C 178.855 0.000 1 1471 132 138 ASP CA C 57.425 0.157 1 1472 132 138 ASP CB C 40.860 0.067 1 1473 132 138 ASP N N 121.298 0.059 1 1474 133 139 LEU H H 7.485 0.006 1 1475 133 139 LEU HA H 3.888 0.009 1 1476 133 139 LEU HB2 H 1.445 0.007 2 1477 133 139 LEU HB3 H 1.777 0.005 2 1478 133 139 LEU HG H 0.829 0.010 1 1479 133 139 LEU HD1 H 0.466 0.004 2 1480 133 139 LEU HD2 H 0.495 0.004 2 1481 133 139 LEU C C 178.953 0.000 1 1482 133 139 LEU CA C 57.827 0.124 1 1483 133 139 LEU CB C 41.837 0.000 1 1484 133 139 LEU CG C 26.647 0.183 1 1485 133 139 LEU CD1 C 25.998 0.057 2 1486 133 139 LEU CD2 C 22.710 0.035 2 1487 133 139 LEU N N 124.786 0.078 1 1488 134 140 ALA H H 8.426 0.006 1 1489 134 140 ALA HA H 3.783 0.008 1 1490 134 140 ALA HB H 1.727 0.003 1 1491 134 140 ALA C C 179.902 0.000 1 1492 134 140 ALA CA C 55.832 0.080 1 1493 134 140 ALA CB C 18.120 0.064 1 1494 134 140 ALA N N 123.038 0.077 1 1495 135 141 ARG H H 8.459 0.005 1 1496 135 141 ARG HA H 4.194 0.005 1 1497 135 141 ARG HB2 H 1.973 0.000 2 1498 135 141 ARG HB3 H 2.032 0.005 2 1499 135 141 ARG HG2 H 1.671 0.007 2 1500 135 141 ARG HG3 H 1.813 0.009 2 1501 135 141 ARG HD2 H 3.276 0.004 2 1502 135 141 ARG HD3 H 3.276 0.004 2 1503 135 141 ARG C C 180.037 0.000 1 1504 135 141 ARG CA C 59.331 0.050 1 1505 135 141 ARG CB C 29.864 0.072 1 1506 135 141 ARG CG C 27.797 0.100 1 1507 135 141 ARG CD C 43.324 0.024 1 1508 135 141 ARG N N 119.537 0.073 1 1509 136 142 SER H H 7.944 0.005 1 1510 136 142 SER HA H 4.277 0.005 1 1511 136 142 SER HB2 H 3.941 0.006 2 1512 136 142 SER HB3 H 3.941 0.006 2 1513 136 142 SER C C 176.127 0.000 1 1514 136 142 SER CA C 61.509 0.093 1 1515 136 142 SER CB C 62.529 0.041 1 1516 136 142 SER N N 118.958 0.113 1 1517 137 143 TYR H H 7.623 0.007 1 1518 137 143 TYR HA H 4.907 0.009 1 1519 137 143 TYR HB2 H 3.131 0.008 2 1520 137 143 TYR HB3 H 3.252 0.004 2 1521 137 143 TYR HD1 H 6.800 0.012 3 1522 137 143 TYR HD2 H 6.800 0.012 3 1523 137 143 TYR HE1 H 6.648 0.008 3 1524 137 143 TYR HE2 H 6.648 0.008 3 1525 137 143 TYR C C 176.279 0.000 1 1526 137 143 TYR CA C 54.737 0.057 1 1527 137 143 TYR CB C 38.830 0.151 1 1528 137 143 TYR CD1 C 130.270 0.000 3 1529 137 143 TYR CD2 C 130.270 0.000 3 1530 137 143 TYR CE1 C 118.028 0.056 3 1531 137 143 TYR CE2 C 118.028 0.056 3 1532 137 143 TYR N N 121.309 0.109 1 1533 138 144 GLY H H 8.328 0.006 1 1534 138 144 GLY HA2 H 4.010 0.009 2 1535 138 144 GLY HA3 H 4.179 0.005 2 1536 138 144 GLY C C 175.077 0.000 1 1537 138 144 GLY CA C 46.439 0.172 1 1538 138 144 GLY N N 112.193 0.056 1 1539 139 145 ILE H H 8.059 0.010 1 1540 139 145 ILE HA H 5.241 0.005 1 1541 139 145 ILE HB H 2.458 0.006 1 1542 139 145 ILE HG12 H 1.409 0.009 2 1543 139 145 ILE HG13 H 1.692 0.011 2 1544 139 145 ILE HG2 H 0.963 0.007 1 1545 139 145 ILE HD1 H 0.879 0.005 1 1546 139 145 ILE CA C 58.420 0.047 1 1547 139 145 ILE CB C 38.543 0.111 1 1548 139 145 ILE CG1 C 23.637 0.120 1 1549 139 145 ILE CG2 C 17.888 0.102 1 1550 139 145 ILE CD1 C 15.171 0.042 1 1551 139 145 ILE N N 114.227 0.041 1 1552 140 146 PRO HA H 4.627 0.004 1 1553 140 146 PRO HB2 H 1.671 0.008 2 1554 140 146 PRO HB3 H 2.519 0.006 2 1555 140 146 PRO HG2 H 1.784 0.003 2 1556 140 146 PRO HG3 H 1.960 0.006 2 1557 140 146 PRO HD2 H 3.972 0.003 2 1558 140 146 PRO HD3 H 4.034 0.010 2 1559 140 146 PRO C C 174.570 0.000 1 1560 140 146 PRO CA C 62.362 0.077 1 1561 140 146 PRO CB C 33.057 0.099 1 1562 140 146 PRO CG C 27.973 0.085 1 1563 140 146 PRO CD C 50.832 0.081 1 1564 141 147 TYR H H 8.252 0.005 1 1565 141 147 TYR HA H 5.997 0.004 1 1566 141 147 TYR HB2 H 2.745 0.005 2 1567 141 147 TYR HB3 H 2.905 0.004 2 1568 141 147 TYR HD1 H 6.987 0.014 3 1569 141 147 TYR HD2 H 6.987 0.014 3 1570 141 147 TYR HE1 H 6.768 0.014 3 1571 141 147 TYR HE2 H 6.768 0.014 3 1572 141 147 TYR C C 174.492 0.000 1 1573 141 147 TYR CA C 54.912 0.071 1 1574 141 147 TYR CB C 40.972 0.214 1 1575 141 147 TYR CD1 C 132.372 0.078 3 1576 141 147 TYR CD2 C 132.372 0.078 3 1577 141 147 TYR CE1 C 119.203 0.065 3 1578 141 147 TYR CE2 C 119.203 0.065 3 1579 141 147 TYR N N 121.135 0.077 1 1580 142 148 ILE H H 8.495 0.005 1 1581 142 148 ILE HA H 3.948 0.003 1 1582 142 148 ILE HB H 1.318 0.005 1 1583 142 148 ILE HG12 H 1.056 0.007 2 1584 142 148 ILE HG13 H 1.245 0.004 2 1585 142 148 ILE HG2 H 0.685 0.006 1 1586 142 148 ILE HD1 H 0.725 0.007 1 1587 142 148 ILE C C 172.977 0.000 1 1588 142 148 ILE CA C 59.383 0.043 1 1589 142 148 ILE CB C 42.260 0.191 1 1590 142 148 ILE CG1 C 28.490 0.081 1 1591 142 148 ILE CG2 C 17.780 0.059 1 1592 142 148 ILE CD1 C 13.742 0.054 1 1593 142 148 ILE N N 131.362 0.057 1 1594 143 149 GLU H H 7.827 0.004 1 1595 143 149 GLU HA H 4.788 0.000 1 1596 143 149 GLU HB2 H 1.650 0.006 2 1597 143 149 GLU HB3 H 2.058 0.000 2 1598 143 149 GLU HG2 H 2.275 0.007 2 1599 143 149 GLU HG3 H 2.371 0.009 2 1600 143 149 GLU C C 176.128 0.000 1 1601 143 149 GLU CA C 55.647 0.005 1 1602 143 149 GLU CB C 29.727 0.096 1 1603 143 149 GLU CG C 36.607 0.106 1 1604 143 149 GLU N N 125.874 0.133 1 1605 144 150 THR H H 8.800 0.007 1 1606 144 150 THR HA H 5.081 0.005 1 1607 144 150 THR HB H 3.903 0.005 1 1608 144 150 THR HG2 H 0.660 0.005 2 1609 144 150 THR C C 176.136 0.000 1 1610 144 150 THR CA C 59.464 0.100 1 1611 144 150 THR CB C 73.639 0.068 1 1612 144 150 THR CG2 C 22.121 0.035 1 1613 144 150 THR N N 113.629 0.057 1 1614 145 151 SER H H 8.807 0.007 1 1615 145 151 SER HA H 4.883 0.005 1 1616 145 151 SER HB2 H 3.989 0.004 2 1617 145 151 SER HB3 H 4.058 0.008 2 1618 145 151 SER C C 175.707 0.000 1 1619 145 151 SER CA C 57.438 0.144 1 1620 145 151 SER CB C 64.470 0.156 1 1621 145 151 SER N N 113.706 0.082 1 1622 146 152 ALA H H 9.134 0.006 1 1623 146 152 ALA HA H 3.890 0.007 1 1624 146 152 ALA HB H 1.579 0.005 1 1625 146 152 ALA C C 175.632 0.000 1 1626 146 152 ALA CA C 54.416 0.077 1 1627 146 152 ALA CB C 18.605 0.044 1 1628 146 152 ALA N N 133.500 8.269 1 1629 147 153 LYS H H 7.042 0.006 1 1630 147 153 LYS HA H 2.616 0.005 1 1631 147 153 LYS HB2 H 0.332 0.008 2 1632 147 153 LYS HB3 H 1.043 0.007 2 1633 147 153 LYS HG2 H 0.433 0.005 2 1634 147 153 LYS HG3 H 0.657 0.007 2 1635 147 153 LYS HD2 H 1.200 0.006 2 1636 147 153 LYS HD3 H 1.335 0.004 2 1637 147 153 LYS HE2 H 2.740 0.003 2 1638 147 153 LYS HE3 H 2.788 0.001 2 1639 147 153 LYS C C 177.045 0.000 1 1640 147 153 LYS CA C 58.119 0.073 1 1641 147 153 LYS CB C 33.956 0.102 1 1642 147 153 LYS CG C 24.766 0.050 1 1643 147 153 LYS CD C 29.670 0.170 1 1644 147 153 LYS CE C 41.837 0.000 1 1645 147 153 LYS N N 117.223 0.057 1 1646 148 154 THR H H 7.721 0.006 1 1647 148 154 THR HA H 4.157 0.005 1 1648 148 154 THR HB H 4.442 0.005 1 1649 148 154 THR HG2 H 1.054 0.005 2 1650 148 154 THR C C 175.979 0.000 1 1651 148 154 THR CA C 61.489 0.124 1 1652 148 154 THR CB C 69.911 0.096 1 1653 148 154 THR CG2 C 21.148 0.119 1 1654 148 154 THR N N 107.404 0.075 1 1655 149 155 ARG H H 7.814 0.007 1 1656 149 155 ARG HA H 3.476 0.005 1 1657 149 155 ARG HB2 H 1.796 0.005 2 1658 149 155 ARG HB3 H 2.249 0.004 2 1659 149 155 ARG HG2 H 1.218 0.004 2 1660 149 155 ARG HG3 H 1.795 0.003 2 1661 149 155 ARG HD2 H 3.106 0.005 2 1662 149 155 ARG HD3 H 3.151 0.000 2 1663 149 155 ARG HE H 6.898 0.011 1 1664 149 155 ARG C C 175.481 0.000 1 1665 149 155 ARG CA C 59.653 0.071 1 1666 149 155 ARG CB C 30.445 0.083 1 1667 149 155 ARG CG C 31.921 0.049 1 1668 149 155 ARG CD C 43.429 0.115 1 1669 149 155 ARG N N 119.268 0.030 1 1670 149 155 ARG NE N 85.887 0.019 1 1671 150 156 GLN H H 7.833 0.004 1 1672 150 156 GLN HA H 4.065 0.003 1 1673 150 156 GLN HB2 H 1.587 0.006 2 1674 150 156 GLN HB3 H 1.986 0.006 2 1675 150 156 GLN HG2 H 2.105 0.006 2 1676 150 156 GLN HG3 H 2.299 0.007 2 1677 150 156 GLN HE21 H 6.844 0.003 2 1678 150 156 GLN HE22 H 7.396 0.006 2 1679 150 156 GLN C C 177.007 0.000 1 1680 150 156 GLN CA C 57.433 0.123 1 1681 150 156 GLN CB C 28.472 0.041 1 1682 150 156 GLN CG C 32.689 0.091 1 1683 150 156 GLN N N 125.391 0.139 1 1684 150 156 GLN NE2 N 113.603 0.092 1 1685 151 157 GLY H H 8.936 0.002 1 1686 151 157 GLY HA2 H 3.820 0.007 2 1687 151 157 GLY HA3 H 4.126 0.012 2 1688 151 157 GLY C C 173.581 0.000 1 1689 151 157 GLY CA C 46.945 0.067 1 1690 151 157 GLY N N 116.380 0.070 1 1691 152 158 VAL H H 7.099 0.005 1 1692 152 158 VAL HA H 3.221 0.003 1 1693 152 158 VAL HB H 1.827 0.005 1 1694 152 158 VAL HG1 H 0.792 0.008 2 1695 152 158 VAL HG2 H 0.938 0.005 2 1696 152 158 VAL C C 177.006 0.000 1 1697 152 158 VAL CA C 68.314 0.089 1 1698 152 158 VAL CB C 31.473 0.184 1 1699 152 158 VAL CG1 C 24.346 0.196 2 1700 152 158 VAL CG2 C 21.085 0.142 2 1701 152 158 VAL N N 121.822 0.095 1 1702 153 159 GLU H H 8.271 0.008 1 1703 153 159 GLU HA H 3.305 0.005 1 1704 153 159 GLU HB2 H 1.370 0.004 2 1705 153 159 GLU HB3 H 1.646 0.003 2 1706 153 159 GLU HG2 H 1.723 0.003 2 1707 153 159 GLU HG3 H 1.920 0.004 2 1708 153 159 GLU C C 177.163 0.000 1 1709 153 159 GLU CA C 60.407 0.050 1 1710 153 159 GLU CB C 28.787 0.059 1 1711 153 159 GLU CG C 37.583 0.091 1 1712 153 159 GLU N N 118.087 0.076 1 1713 154 160 ASP H H 8.145 0.008 1 1714 154 160 ASP HA H 4.205 0.004 1 1715 154 160 ASP HB2 H 2.457 0.005 2 1716 154 160 ASP HB3 H 2.546 0.010 2 1717 154 160 ASP C C 179.366 0.000 1 1718 154 160 ASP CA C 57.288 0.054 1 1719 154 160 ASP CB C 40.040 0.100 1 1720 154 160 ASP N N 117.624 0.040 1 1721 155 161 ALA H H 8.603 0.004 1 1722 155 161 ALA HA H 3.749 0.005 1 1723 155 161 ALA HB H 1.105 0.004 1 1724 155 161 ALA C C 177.684 0.000 1 1725 155 161 ALA CA C 56.295 0.062 1 1726 155 161 ALA CB C 17.397 0.106 1 1727 155 161 ALA N N 125.270 0.045 1 1728 156 162 PHE H H 7.236 0.008 1 1729 156 162 PHE HA H 3.912 0.006 1 1730 156 162 PHE HB2 H 2.670 0.007 2 1731 156 162 PHE HB3 H 2.785 0.011 2 1732 156 162 PHE HD1 H 7.346 0.006 3 1733 156 162 PHE HD2 H 7.346 0.006 3 1734 156 162 PHE HE1 H 6.955 0.009 3 1735 156 162 PHE HE2 H 6.955 0.009 3 1736 156 162 PHE HZ H 6.989 0.014 1 1737 156 162 PHE C C 177.975 0.000 1 1738 156 162 PHE CA C 62.851 0.078 1 1739 156 162 PHE CB C 39.472 0.166 1 1740 156 162 PHE CD1 C 131.915 0.002 3 1741 156 162 PHE CD2 C 131.915 0.002 3 1742 156 162 PHE CE1 C 130.794 0.094 3 1743 156 162 PHE CE2 C 130.794 0.094 3 1744 156 162 PHE N N 113.772 0.072 1 1745 157 163 TYR H H 9.573 0.004 1 1746 157 163 TYR HA H 4.355 0.007 1 1747 157 163 TYR HB2 H 2.931 0.007 2 1748 157 163 TYR HB3 H 3.327 0.013 2 1749 157 163 TYR HD1 H 6.878 0.009 3 1750 157 163 TYR HD2 H 6.878 0.009 3 1751 157 163 TYR HE1 H 6.644 0.008 3 1752 157 163 TYR HE2 H 6.644 0.008 3 1753 157 163 TYR C C 179.097 0.000 1 1754 157 163 TYR CA C 58.309 0.135 1 1755 157 163 TYR CB C 35.012 0.083 1 1756 157 163 TYR CD1 C 130.722 0.000 3 1757 157 163 TYR CD2 C 130.722 0.000 3 1758 157 163 TYR CE1 C 117.463 0.104 3 1759 157 163 TYR CE2 C 117.463 0.104 3 1760 157 163 TYR N N 120.499 0.057 1 1761 158 164 THR H H 8.538 0.006 1 1762 158 164 THR HA H 3.903 0.003 1 1763 158 164 THR HB H 4.226 0.006 1 1764 158 164 THR HG2 H 1.201 0.001 2 1765 158 164 THR C C 175.656 0.000 1 1766 158 164 THR CA C 67.484 0.069 1 1767 158 164 THR CB C 67.819 0.102 1 1768 158 164 THR CG2 C 21.382 0.090 1 1769 158 164 THR N N 118.206 0.059 1 1770 159 165 LEU H H 7.232 0.006 1 1771 159 165 LEU HA H 3.871 0.009 1 1772 159 165 LEU HB2 H 1.274 0.007 2 1773 159 165 LEU HB3 H 2.146 0.007 2 1774 159 165 LEU HG H 1.375 0.005 1 1775 159 165 LEU HD1 H 0.695 0.005 2 1776 159 165 LEU HD2 H 0.815 0.008 2 1777 159 165 LEU C C 177.513 0.000 1 1778 159 165 LEU CA C 57.991 0.091 1 1779 159 165 LEU CB C 40.181 0.110 1 1780 159 165 LEU CD1 C 27.283 0.077 2 1781 159 165 LEU CD2 C 21.738 0.075 2 1782 159 165 LEU N N 122.864 0.047 1 1783 160 166 VAL H H 7.517 0.002 1 1784 160 166 VAL HA H 3.045 0.006 1 1785 160 166 VAL HB H 2.028 0.005 1 1786 160 166 VAL HG1 H 0.144 0.005 2 1787 160 166 VAL HG2 H 0.736 0.003 2 1788 160 166 VAL C C 177.474 0.000 1 1789 160 166 VAL CA C 67.389 0.040 1 1790 160 166 VAL CB C 30.944 0.067 1 1791 160 166 VAL CG1 C 20.306 0.064 2 1792 160 166 VAL CG2 C 23.712 0.082 2 1793 160 166 VAL N N 120.322 0.061 1 1794 161 167 ARG H H 8.044 0.005 1 1795 161 167 ARG HA H 3.772 0.005 1 1796 161 167 ARG HB3 H 2.014 0.006 2 1797 161 167 ARG HG2 H 1.511 0.004 2 1798 161 167 ARG HG3 H 1.799 0.006 2 1799 161 167 ARG HD2 H 3.140 0.009 2 1800 161 167 ARG HD3 H 3.140 0.009 2 1801 161 167 ARG HE H 8.842 0.006 1 1802 161 167 ARG HH21 H 6.864 0.009 2 1803 161 167 ARG HH22 H 6.864 0.009 2 1804 161 167 ARG C C 179.030 0.000 1 1805 161 167 ARG CA C 60.935 0.085 1 1806 161 167 ARG CB C 29.586 0.000 1 1807 161 167 ARG CG C 29.369 0.076 1 1808 161 167 ARG CD C 43.689 0.096 1 1809 161 167 ARG N N 120.151 0.045 1 1810 161 167 ARG NE N 89.709 0.025 1 1811 162 168 GLU H H 8.171 0.007 1 1812 162 168 GLU HA H 4.050 0.006 1 1813 162 168 GLU HB2 H 2.189 0.002 2 1814 162 168 GLU HB3 H 2.453 0.006 2 1815 162 168 GLU HG2 H 2.461 0.006 2 1816 162 168 GLU HG3 H 2.461 0.006 2 1817 162 168 GLU C C 179.805 0.000 1 1818 162 168 GLU CA C 58.867 0.151 1 1819 162 168 GLU CB C 30.330 0.062 1 1820 162 168 GLU CG C 36.735 0.060 1 1821 162 168 GLU N N 119.201 0.085 1 1822 163 169 ILE H H 8.174 0.006 1 1823 163 169 ILE HA H 3.583 0.006 1 1824 163 169 ILE HB H 1.886 0.010 1 1825 163 169 ILE HG12 H 0.856 0.007 2 1826 163 169 ILE HG13 H 1.823 0.008 2 1827 163 169 ILE HG2 H 1.038 0.005 1 1828 163 169 ILE HD1 H 0.584 0.006 1 1829 163 169 ILE C C 178.906 0.000 1 1830 163 169 ILE CA C 66.023 0.038 1 1831 163 169 ILE CB C 38.204 0.067 1 1832 163 169 ILE CG1 C 28.286 0.089 1 1833 163 169 ILE CG2 C 17.768 0.074 1 1834 163 169 ILE CD1 C 15.530 0.049 1 1835 163 169 ILE N N 123.244 0.092 1 1836 164 170 ARG H H 8.405 0.008 1 1837 164 170 ARG HA H 4.140 0.009 1 1838 164 170 ARG HB2 H 1.889 0.001 2 1839 164 170 ARG HB3 H 1.993 0.004 2 1840 164 170 ARG HG2 H 1.815 0.007 2 1841 164 170 ARG HG3 H 1.815 0.007 2 1842 164 170 ARG HD2 H 2.974 0.009 2 1843 164 170 ARG HD3 H 3.056 0.012 2 1844 164 170 ARG HE H 6.748 0.007 1 1845 164 170 ARG C C 177.532 0.000 1 1846 164 170 ARG CA C 58.944 0.072 1 1847 164 170 ARG CB C 31.206 0.150 1 1848 164 170 ARG CG C 27.399 0.149 1 1849 164 170 ARG CD C 44.768 0.106 1 1850 164 170 ARG N N 119.842 0.088 1 1851 164 170 ARG NE N 85.468 0.042 1 1852 165 171 GLN H H 7.646 0.010 1 1853 165 171 GLN HA H 4.343 0.002 1 1854 165 171 GLN HB2 H 2.067 0.012 2 1855 165 171 GLN HB3 H 2.260 0.008 2 1856 165 171 GLN HG2 H 2.462 0.004 2 1857 165 171 GLN HG3 H 2.515 0.008 2 1858 165 171 GLN HE21 H 6.815 0.003 2 1859 165 171 GLN HE22 H 7.425 0.002 2 1860 165 171 GLN C C 175.218 0.000 1 1861 165 171 GLN CA C 56.100 0.159 1 1862 165 171 GLN CB C 29.236 0.181 1 1863 165 171 GLN CG C 34.142 0.097 1 1864 165 171 GLN N N 116.762 0.040 1 1865 165 171 GLN NE2 N 113.126 0.018 1 1866 166 172 HIS H H 7.692 0.006 1 1867 166 172 HIS HA H 4.412 0.008 1 1868 166 172 HIS HB2 H 3.219 0.004 2 1869 166 172 HIS HB3 H 3.464 0.004 2 1870 166 172 HIS HD2 H 7.396 0.003 1 1871 166 172 HIS HE1 H 8.631 0.001 1 1872 166 172 HIS CA C 58.073 0.108 1 1873 166 172 HIS CB C 29.948 0.081 1 1874 166 172 HIS CD2 C 120.260 0.000 1 1875 166 172 HIS CE1 C 136.490 0.000 1 1876 166 172 HIS N N 126.155 0.057 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HBHA(CO)NH' '3D HN(CO)CA' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D 1H-13C NOESY' '3D HCCH-COSY' '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER' _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 1 219 1 GNP HN1 H 13.249 0.002 1 2 219 1 GNP H1' H 6.106 0.002 1 3 219 1 GNP H2' H 4.582 0.003 1 4 219 1 GNP H3' H 4.349 0.000 1 5 219 1 GNP H5'2 H 1.482 0.002 1 6 219 1 GNP H8 H 8.008 0.015 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 749.93 _T1_coherence_type Sz _T1_value_units s _Mol_system_component_name 'GppNHp-bound H-RasT35S mutant protein' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 7 MET N 0.759826 0.0134 2 8 THR N 0.949357 0.0227 3 9 GLU N 1.1717 0.0388 4 11 LYS N 1.26577 0.0342 5 13 VAL N 1.15194 0.0324 6 14 VAL N 1.04139 0.032 7 15 VAL N 1.14896 0.0274 8 16 GLY N 1.07246 0.0333 9 17 ALA N 1.02473 0.0358 10 18 GLY N 1.1169 0.0273 11 19 GLY N 0.976172 0.0397 12 21 GLY N 0.996146 0.0421 13 23 SER N 1.08262 0.0294 14 24 ALA N 1.14607 0.0418 15 25 LEU N 1.1336 0.0372 16 26 THR N 1.08105 0.0277 17 27 ILE N 1.15666 0.0365 18 30 ILE N 1.10576 0.0423 19 31 GLN N 1.1226 0.0399 20 34 PHE N 0.923292 0.0379 21 35 VAL N 0.953045 0.0325 22 37 GLU N 0.859037 0.0183 23 38 TYR N 0.892548 0.0139 24 39 ASP N 0.769637 0.0578 25 41 SER N 0.716609 0.0361 26 42 ILE N 0.805595 0.0185 27 43 GLU N 0.784461 0.0116 28 45 SER N 0.918839 0.0251 29 46 TYR N 0.968993 0.0253 30 48 LYS N 1.11187 0.029 31 49 GLN N 1.05051 0.0291 32 50 VAL N 1.14278 0.0304 33 51 VAL N 1.14574 0.0191 34 52 ILE N 1.24833 0.072 35 53 ASP N 1.04147 0.0367 36 54 GLY N 0.939363 0.0297 37 55 GLU N 1.12528 0.0291 38 56 THR N 1.00632 0.0246 39 57 CYS N 1.05437 0.0157 40 58 LEU N 1.158 0.0155 41 59 LEU N 1.16064 0.0274 42 60 ASP N 1.18365 0.0252 43 62 LEU N 1.12544 0.025 44 63 ASP N 1.14231 0.0487 45 64 THR N 1.13931 0.0358 46 65 ALA N 1.05797 0.0245 47 66 GLY N 0.956615 0.0217 48 67 GLN N 0.850841 0.0232 49 69 GLU N 0.845236 0.0208 50 71 SER N 0.841418 0.0245 51 72 ALA N 1.0196 0.0683 52 73 MET N 0.862383 0.0243 53 75 ASP N 0.936851 0.0209 54 77 TYR N 0.97133 0.028 55 80 THR N 0.93301 0.028 56 81 GLY N 1.0149 0.0272 57 82 GLU N 1.14136 0.0444 58 83 GLY N 1.1594 0.0253 59 84 PHE N 1.18898 0.0564 60 85 LEU N 1.16962 0.0265 61 86 CYS N 1.18268 0.0299 62 87 VAL N 1.15911 0.036 63 88 PHE N 1.08986 0.0207 64 89 ALA N 1.11541 0.0302 65 90 ILE N 1.17425 0.0393 66 91 ASN N 1.06181 0.0271 67 92 ASN N 1.11923 0.0346 68 94 LYS N 0.984477 0.0506 69 95 SER N 1.12364 0.0235 70 96 PHE N 1.05486 0.0311 71 98 ASP N 1.09564 0.0141 72 99 ILE N 1.11408 0.0332 73 101 GLN N 1.08976 0.031 74 102 TYR N 1.15362 0.0536 75 104 GLU N 1.10325 0.0269 76 109 VAL N 1.0907 0.00933 77 111 ASP N 1.1193 0.0225 78 112 SER N 1.11091 0.0207 79 113 ASP N 0.933647 0.0222 80 114 ASP N 0.991274 0.0241 81 115 VAL N 1.04353 0.0232 82 117 MET N 1.10343 0.0411 83 118 VAL N 1.15851 0.0347 84 119 LEU N 1.05371 0.0297 85 120 VAL N 1.16662 0.0116 86 121 GLY N 1.09916 0.0433 87 122 ASN N 1.13366 0.0289 88 123 LYS N 1.12902 0.0786 89 124 CYS N 1.17402 0.0232 90 125 ASP N 1.00898 0.0157 91 126 LEU N 1.15081 0.0255 92 127 ALA N 1.0472 0.0465 93 128 ALA N 1.11479 0.0219 94 129 ARG N 1.25976 0.0249 95 130 THR N 1.2009 0.0371 96 131 VAL N 1.0943 0.0355 97 132 GLU N 1.17421 0.03 98 133 SER N 0.98094 0.0323 99 134 ARG N 0.943185 0.0139 100 135 GLN N 1.11503 0.018 101 136 ALA N 1.10748 0.0238 102 137 GLN N 1.12393 0.0143 103 138 ASP N 1.15816 0.0178 104 139 LEU N 1.11599 0.0198 105 141 ARG N 1.1564 0.0175 106 142 SER N 1.1215 0.0243 107 143 TYR N 1.06703 0.028 108 144 GLY N 1.21122 0.0251 109 145 ILE N 1.23284 0.0286 110 148 ILE N 1.07782 0.0218 111 149 GLU N 1.17938 0.0301 112 152 ALA N 1.20628 0.0225 113 153 LYS N 1.09153 0.05 114 154 THR N 1.13718 0.0227 115 156 GLN N 1.13687 0.031 116 157 GLY N 1.0429 0.0243 117 158 VAL N 1.10638 0.0176 118 159 GLU N 1.13823 0.0295 119 160 ASP N 1.15976 0.021 120 161 ALA N 1.13733 0.0191 121 162 PHE N 1.15022 0.0323 122 163 TYR N 1.1368 0.0203 123 164 THR N 1.07371 0.0245 124 165 LEU N 1.12621 0.0327 125 166 VAL N 1.15613 0.0302 126 167 ARG N 1.11157 0.0278 127 168 GLU N 1.06007 0.0136 128 169 ILE N 1.09525 0.0249 129 171 GLN N 1.06722 0.019 130 172 HIS N 0.926122 0.0138 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 749.93 _T2_coherence_type S(+,-) _T2_value_units ms _Mol_system_component_name 'GppNHp-bound H-RasT35S mutant protein' _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 7 MET N 141.121 1.3 . . 2 8 THR N 78.0201 6.17 . . 3 9 GLU N 66.0746 1.08 . . 4 11 LYS N 62.1008 1.35 . . 5 13 VAL N 65.3608 2.28 . . 6 14 VAL N 54.4233 1.51 . . 7 15 VAL N 56.878 1.52 . . 8 16 GLY N 65.593 2.59 . . 9 17 ALA N 58.1454 1.46 . . 10 18 GLY N 58.7159 0.688 . . 11 19 GLY N 57.6155 0.879 . . 12 21 GLY N 49.6636 2.12 . . 13 23 SER N 54.1445 1 . . 14 24 ALA N 54.6805 1.08 . . 15 25 LEU N 56.063 1.59 . . 16 26 THR N 52.0043 1.12 . . 17 27 ILE N 58.0619 1.69 . . 18 30 ILE N 52.3344 1.52 . . 19 31 GLN N 54.3873 0.963 . . 20 34 PHE N 60.9482 0.79 . . 21 35 VAL N 51.7769 0.375 . . 22 37 GLU N 66.3832 0.611 . . 23 38 TYR N 76.1576 1.24 . . 24 39 ASP N 43.148 1.3 . . 25 41 SER N 36.2021 1.54 . . 26 42 ILE N 74.9589 1.53 . . 27 43 GLU N 42.536 0.72 . . 28 45 SER N 73.6314 1.03 . . 29 46 TYR N 66.8397 0.973 . . 30 48 LYS N 65.9835 1.97 . . 31 49 GLN N 62.1269 0.67 . . 32 50 VAL N 58.3184 0.712 . . 33 51 VAL N 66.6134 1.75 . . 34 52 ILE N 58.5113 1.38 . . 35 53 ASP N 57.1462 1.31 . . 36 54 GLY N 63.2768 0.665 . . 37 55 GLU N 58.1704 1.18 . . 38 56 THR N 61.0468 0.999 . . 39 57 CYS N 56.9939 0.427 . . 40 58 LEU N 62.8986 1.64 . . 41 59 LEU N 60.3273 0.579 . . 42 60 ASP N 61.1918 4.35 . . 43 62 LEU N 60.7683 1.39 . . 44 63 ASP N 51.6492 1.83 . . 45 64 THR N 58.2243 1.45 . . 46 65 ALA N 52.9726 2.53 . . 47 66 GLY N 59.865 0.722 . . 48 67 GLN N 76.7089 0.508 . . 49 69 GLU N 74.0876 3.68 . . 50 71 SER N 66.9865 1.33 . . 51 72 ALA N 53.8554 1.08 . . 52 73 MET N 61.8188 0.839 . . 53 75 ASP N 57.797 0.413 . . 54 77 TYR N 54.1015 0.7 . . 55 80 THR N 56.194 0.656 . . 56 81 GLY N 54.7088 1 . . 57 82 GLU N 57.7429 0.775 . . 58 83 GLY N 62.7564 0.335 . . 59 84 PHE N 65.2269 3.02 . . 60 85 LEU N 57.0565 0.765 . . 61 86 CYS N 57.4513 1.88 . . 62 87 VAL N 58.5917 0.868 . . 63 88 PHE N 56.4696 0.805 . . 64 89 ALA N 56.2462 1.06 . . 65 90 ILE N 55.0672 0.699 . . 66 91 ASN N 49.069 0.666 . . 67 92 ASN N 55.4807 0.447 . . 68 94 LYS N 54.9368 1.24 . . 69 95 SER N 56.8363 0.645 . . 70 96 PHE N 51.0295 0.607 . . 71 98 ASP N 58.2551 0.821 . . 72 99 ILE N 52.7721 0.239 . . 73 101 GLN N 57.1402 0.195 . . 74 102 TYR N 54.5672 0.355 . . 75 104 GLU N 53.5064 1.11 . . 76 109 VAL N 53.8091 1.13 . . 77 111 ASP N 60.1975 0.38 . . 78 112 SER N 64.8063 0.238 . . 79 113 ASP N 81.3356 4.18 . . 80 114 ASP N 71.5803 0.405 . . 81 115 VAL N 91.7063 1.02 . . 82 117 MET N 56.6645 6.48 . . 83 118 VAL N 58.3441 0.71 . . 84 119 LEU N 56.3669 0.824 . . 85 120 VAL N 60.9127 1.32 . . 86 121 GLY N 57.6486 1.38 . . 87 122 ASN N 58.1019 0.566 . . 88 123 LYS N 51.1511 1.89 . . 89 124 CYS N 52.9554 0.388 . . 90 125 ASP N 51.5711 0.695 . . 91 126 LEU N 55.6484 0.243 . . 92 127 ALA N 67.271 0.738 . . 93 128 ALA N 74.3099 0.918 . . 94 129 ARG N 80.4367 0.547 . . 95 130 THR N 51.9693 0.916 . . 96 131 VAL N 64.2097 1.48 . . 97 132 GLU N 61.0434 0.647 . . 98 133 SER N 58.7373 0.535 . . 99 134 ARG N 54.1529 0.646 . . 100 135 GLN N 57.4183 0.417 . . 101 136 ALA N 56.6293 1.52 . . 102 137 GLN N 54.2055 0.956 . . 103 138 ASP N 57.0212 0.751 . . 104 139 LEU N 52.5793 1.33 . . 105 141 ARG N 53.9639 0.77 . . 106 142 SER N 55.0791 0.479 . . 107 143 TYR N 57.0722 0.464 . . 108 144 GLY N 57.8329 1.19 . . 109 145 ILE N 53.2275 0.281 . . 110 148 ILE N 58.5742 0.967 . . 111 149 GLU N 60.8195 2.35 . . 112 152 ALA N 58.451 1.39 . . 113 153 LYS N 54.1349 1.06 . . 114 154 THR N 56.8124 1.42 . . 115 156 GLN N 56.0506 1.46 . . 116 157 GLY N 55.697 0.984 . . 117 158 VAL N 54.7972 0.712 . . 118 159 GLU N 55.3193 0.8 . . 119 160 ASP N 56.9177 0.196 . . 120 161 ALA N 53.4087 1.14 . . 121 162 PHE N 57.4083 0.606 . . 122 163 TYR N 55.3601 0.215 . . 123 164 THR N 53.9043 1.08 . . 124 165 LEU N 58.1926 0.889 . . 125 166 VAL N 57.2493 0.746 . . 126 167 ARG N 54.5904 0.373 . . 127 168 GLU N 54.0789 1.59 . . 128 169 ILE N 58.5849 2.11 . . 129 171 GLN N 62.6311 0.447 . . 130 172 HIS N 81.4985 5.91 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 749.93 _Mol_system_component_name 'GppNHp-bound H-RasT35S mutant protein' _Atom_one_atom_name H _Atom_two_atom_name N _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value 0.288563 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 7 MET 0.288563 0.00330427 8 THR 0.559022 0.00634967 9 GLU 0.854677 0.00969281 11 LYS 0.953173 0.0154441 13 VAL 0.958007 0.016083 14 VAL 0.919583 0.0175073 15 VAL 0.969659 0.01621 16 GLY 0.839703 0.011383 17 ALA 0.918859 0.016381 18 GLY 0.873251 0.0116424 19 GLY 0.823233 0.0180647 21 GLY 0.890448 0.016996 23 SER 0.887418 0.012368 24 ALA 0.854628 0.0153322 25 LEU 0.898508 0.0114739 26 THR 0.988983 0.0148595 27 ILE 0.993044 0.0214151 30 ILE 0.887262 0.0172664 31 GLN 0.838259 0.0157275 34 PHE 0.852006 0.0124536 35 VAL 0.813352 0.0116818 37 GLU 0.599088 0.00723224 38 TYR 0.695625 0.0103078 39 ASP 0.695569 0.0264071 41 SER 0.663486 0.0246761 42 ILE 0.658438 0.00972465 43 GLU 0.617556 0.0103228 45 SER 0.711792 0.00914367 46 TYR 0.772463 0.0115606 48 LYS 0.759874 0.0179179 49 GLN 0.857104 0.0119774 50 VAL 0.969433 0.0160139 51 VAL 0.850559 0.0107179 52 ILE 0.866958 0.0164175 53 ASP 0.82951 0.0190919 54 GLY 0.827362 0.0118903 55 GLU 0.800617 0.0070117 56 THR 0.812636 0.0101751 57 CYS 0.826889 0.0103596 58 LEU 0.799867 0.0114278 59 LEU 0.88743 0.0155829 60 ASP 0.907288 0.0116499 62 LEU 0.918443 0.020161 63 ASP 0.978858 0.0193086 64 THR 0.754779 0.0136051 65 ALA 0.777416 0.0116347 66 GLY 0.769656 0.0136089 67 GLN 0.692128 0.00683731 69 GLU 0.736255 0.0139998 71 SER 0.746091 0.0107224 72 ALA 0.739816 0.018719 73 MET 0.728079 0.00785068 75 ASP 0.909334 0.00953289 77 TYR 0.815065 0.0102055 80 THR 0.820403 0.00917712 81 GLY 0.774252 0.00952245 82 GLU 0.931437 0.0206467 83 GLY 0.911256 0.00977215 84 PHE 0.908218 0.016483 85 LEU 0.877705 0.0149303 86 CYS 0.893568 0.0125271 87 VAL 0.92271 0.0149701 88 PHE 0.904234 0.0119829 89 ALA 1.05932 0.0173821 90 ILE 0.888273 0.0150346 91 ASN 0.929572 0.0105003 92 ASN 0.901074 0.00906688 94 LYS 0.890299 0.0174672 95 SER 0.91272 0.0105788 96 PHE 0.892121 0.011331 98 ASP 0.924636 0.00920073 99 ILE 0.945068 0.0125357 101 GLN 0.843948 0.00872928 102 TYR 0.85826 0.0104927 104 GLU 0.835755 0.00910474 109 VAL 0.89443 0.0103494 111 ASP 0.884489 0.00978419 112 SER 0.830501 0.00660616 113 ASP 0.685064 0.008486 114 ASP 0.654177 0.00728672 115 VAL 0.44971 0.00534557 117 MET 0.978754 0.0149216 118 VAL 0.85296 0.0124675 119 LEU 0.906695 0.0151987 120 VAL 0.928155 0.0181643 121 GLY 0.845063 0.0152474 122 ASN 0.952582 0.0140155 123 LYS 1.02263 0.0370152 124 CYS 0.920938 0.0100294 125 ASP 0.917941 0.0106053 126 LEU 0.950423 0.0102807 127 ALA 0.796691 0.0106306 128 ALA 0.746495 0.00673078 129 ARG 0.72245 0.00658766 130 THR 0.920497 0.0276302 131 VAL 0.864519 0.0131216 132 GLU 0.774183 0.00920148 133 SER 0.885882 0.0104575 134 ARG 0.852164 0.00830054 135 GLN 0.883208 0.00961879 136 ALA 0.921163 0.0100318 137 GLN 0.952885 0.0101221 138 ASP 0.90523 0.00889215 139 LEU 0.921954 0.0103309 141 ARG 0.83925 0.00803319 142 SER 0.923706 0.00749311 143 TYR 0.938322 0.0106529 144 GLY 0.945115 0.0123026 145 ILE 0.905964 0.0110278 148 ILE 0.947425 0.0139928 149 GLU 0.882353 0.0103646 152 ALA 0.934271 0.0174596 153 LYS 0.933131 0.0299317 154 THR 0.91677 0.0143745 156 GLN 0.768084 0.00872668 157 GLY 0.865207 0.0131321 158 VAL 0.879535 0.0104185 159 GLU 0.927817 0.0114765 160 ASP 0.903489 0.00726878 161 ALA 0.916821 0.00983182 162 PHE 0.960671 0.0121561 163 TYR 0.923367 0.0091881 164 THR 0.933626 0.0145155 165 LEU 0.95001 0.0127221 166 VAL 0.91065 0.0121375 167 ARG 0.918184 0.0120786 168 GLU 0.912715 0.012522 169 ILE 0.983506 0.0167759 171 GLN 0.781123 0.00743901 172 HIS 0.665177 0.00531104 stop_ save_