data_26787 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for human RIT1 ; _BMRB_accession_number 26787 _BMRB_flat_file_name bmr26787.str _Entry_type original _Submission_date 2016-04-25 _Accession_date 2016-04-25 _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 Fang Zhenhao . . 2 Marshall Christopher B. . 3 Yin Jiani C. . 4 Mazhab-Jafari Mohammad T. . 5 Gasmi-Seabrook Genevieve M.C. . 6 Smith Matthew J. . 7 Nishikawa Tadateru B. . 8 Xu Yang . . 9 Neel Benjamin G. . 10 Ikura Mitsuhiko . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 128 "13C chemical shifts" 418 "15N chemical shifts" 128 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-09-02 original BMRB . stop_ _Original_release_date 2016-09-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Biochemical Classification of Disease-associated Mutants of RAS-like Protein Expressed in Many Tissues (RIT1) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27226556 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fang Zhenhao . . 2 Marshall Christopher B. . 3 Yin Jiani C. . 4 Mazhab-Jafari Mohammad T. . 5 Gasmi-Seabrook Genevieve M.C. . 6 Smith Matthew J. . 7 Xu Yang . . 8 Neel Benjamin G. . 9 Ikura Mitsuhiko . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 291 _Journal_issue 30 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 15641 _Page_last 15652 _Year 2016 _Details . loop_ _Keyword Cancer 'GTP hydrolysis' 'Noonan Syndrome' 'Nuclear Magnetic Resonance (NMR)' 'RAS protein' RIT1 'nucleotide exchange' 'small GTPase' structure-function stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RIT1-assembly _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RIT1 $RIT1 GDP $entity_GDP MG $entity_MG stop_ _System_molecular_weight 21173.1 _System_physical_state native _System_oligomer_state ? _System_paramagnetic yes _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RIT1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RIT1 _Molecular_mass 20705.59 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 179 _Mol_residue_sequence ; GSHMGLSREYKLVMLGAGGV GKSAMTMQFISHRFPEDHDP TIEDAYKIRIRIDDEPANLD ILDTAGQAEFTAMRDQYMRA GEGFIICYSITDRRSFHEVR EFKQLIYRVRRTDDTPVVLV GNKSDLKQLRQVTKEEGLAL AREFSCPFFETSAAYRYYID DVFHALVREIRRKEKEAVL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 13 GLY 2 14 SER 3 15 HIS 4 16 MET 5 17 GLY 6 18 LEU 7 19 SER 8 20 ARG 9 21 GLU 10 22 TYR 11 23 LYS 12 24 LEU 13 25 VAL 14 26 MET 15 27 LEU 16 28 GLY 17 29 ALA 18 30 GLY 19 31 GLY 20 32 VAL 21 33 GLY 22 34 LYS 23 35 SER 24 36 ALA 25 37 MET 26 38 THR 27 39 MET 28 40 GLN 29 41 PHE 30 42 ILE 31 43 SER 32 44 HIS 33 45 ARG 34 46 PHE 35 47 PRO 36 48 GLU 37 49 ASP 38 50 HIS 39 51 ASP 40 52 PRO 41 53 THR 42 54 ILE 43 55 GLU 44 56 ASP 45 57 ALA 46 58 TYR 47 59 LYS 48 60 ILE 49 61 ARG 50 62 ILE 51 63 ARG 52 64 ILE 53 65 ASP 54 66 ASP 55 67 GLU 56 68 PRO 57 69 ALA 58 70 ASN 59 71 LEU 60 72 ASP 61 73 ILE 62 74 LEU 63 75 ASP 64 76 THR 65 77 ALA 66 78 GLY 67 79 GLN 68 80 ALA 69 81 GLU 70 82 PHE 71 83 THR 72 84 ALA 73 85 MET 74 86 ARG 75 87 ASP 76 88 GLN 77 89 TYR 78 90 MET 79 91 ARG 80 92 ALA 81 93 GLY 82 94 GLU 83 95 GLY 84 96 PHE 85 97 ILE 86 98 ILE 87 99 CYS 88 100 TYR 89 101 SER 90 102 ILE 91 103 THR 92 104 ASP 93 105 ARG 94 106 ARG 95 107 SER 96 108 PHE 97 109 HIS 98 110 GLU 99 111 VAL 100 112 ARG 101 113 GLU 102 114 PHE 103 115 LYS 104 116 GLN 105 117 LEU 106 118 ILE 107 119 TYR 108 120 ARG 109 121 VAL 110 122 ARG 111 123 ARG 112 124 THR 113 125 ASP 114 126 ASP 115 127 THR 116 128 PRO 117 129 VAL 118 130 VAL 119 131 LEU 120 132 VAL 121 133 GLY 122 134 ASN 123 135 LYS 124 136 SER 125 137 ASP 126 138 LEU 127 139 LYS 128 140 GLN 129 141 LEU 130 142 ARG 131 143 GLN 132 144 VAL 133 145 THR 134 146 LYS 135 147 GLU 136 148 GLU 137 149 GLY 138 150 LEU 139 151 ALA 140 152 LEU 141 153 ALA 142 154 ARG 143 155 GLU 144 156 PHE 145 157 SER 146 158 CYS 147 159 PRO 148 160 PHE 149 161 PHE 150 162 GLU 151 163 THR 152 164 SER 153 165 ALA 154 166 ALA 155 167 TYR 156 168 ARG 157 169 TYR 158 170 TYR 159 171 ILE 160 172 ASP 161 173 ASP 162 174 VAL 163 175 PHE 164 176 HIS 165 177 ALA 166 178 LEU 167 179 VAL 168 180 ARG 169 181 GLU 170 182 ILE 171 183 ARG 172 184 ARG 173 185 LYS 174 186 GLU 175 187 LYS 176 188 GLU 177 189 ALA 178 190 VAL 179 191 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_GDP _Saveframe_category ligand _Mol_type "non-polymer (RNA LINKING)" _Name_common GUANOSINE-5'-DIPHOSPHATE _BMRB_code GDP _PDB_code GDP _Molecular_mass 443.201 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons PB PB P . 0 . ? O1B O1B O . 0 . ? O2B O2B O . 0 . ? O3B O3B O . 0 . ? O3A O3A O . 0 . ? PA PA P . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? O5' O5' O . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C1' C1' C . 0 . ? N9 N9 N . 0 . ? C8 C8 C . 0 . ? N7 N7 N . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? O6 O6 O . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? N2 N2 N . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? HOB2 HOB2 H . 0 . ? HOB3 HOB3 H . 0 . ? HOA2 HOA2 H . 0 . ? H5' H5' H . 0 . ? H5'' H5'' H . 0 . ? H4' H4' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H2' H2' H . 0 . ? HO2' HO2' H . 0 . ? H1' H1' H . 0 . ? H8 H8 H . 0 . ? HN1 HN1 H . 0 . ? HN21 HN21 H . 0 . ? HN22 HN22 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB PB O1B ? ? SING PB O2B ? ? SING PB O3B ? ? SING PB O3A ? ? SING O2B HOB2 ? ? SING O3B HOB3 ? ? SING O3A PA ? ? DOUB PA O1A ? ? SING PA O2A ? ? SING PA O5' ? ? SING O2A HOA2 ? ? SING O5' C5' ? ? SING C5' C4' ? ? SING C5' H5' ? ? SING C5' H5'' ? ? SING C4' O4' ? ? SING C4' C3' ? ? SING C4' H4' ? ? SING O4' C1' ? ? SING C3' O3' ? ? SING C3' C2' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C2' O2' ? ? SING C2' C1' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C1' N9 ? ? SING C1' H1' ? ? SING N9 C8 ? ? SING N9 C4 ? ? DOUB C8 N7 ? ? SING C8 H8 ? ? SING N7 C5 ? ? SING C5 C6 ? ? DOUB C5 C4 ? ? DOUB C6 O6 ? ? SING C6 N1 ? ? SING N1 C2 ? ? SING N1 HN1 ? ? SING C2 N2 ? ? DOUB C2 N3 ? ? SING N2 HN21 ? ? SING N2 HN22 ? ? SING N3 C4 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ save_MG _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'MAGNESIUM ION' _BMRB_code MG _PDB_code MG _Molecular_mass 24.305 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons MG MG MG . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RIT1 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 $RIT1 'recombinant technology' . Escherichia coli . pET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RIT1 0.8 mM '[U-100% 13C; U-100% 15N]' $entity_GDP 4 mM 'natural abundance' $entity_MG 5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' 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 'data analysis' stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.465 . M pH 8 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HN(CA)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name RIT1 _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 15 3 HIS C C 175.902 0 1 2 15 3 HIS CA C 54.941 0 1 3 15 3 HIS CB C 31.728 0 1 4 16 4 MET H H 8.495 0.002 1 5 16 4 MET C C 176.848 0 1 6 16 4 MET CA C 55.415 0.036 1 7 16 4 MET CB C 32.136 0.065 1 8 16 4 MET N N 120.58 0.011 1 9 17 5 GLY H H 8.319 0.003 1 10 17 5 GLY C C 179.227 0.019 1 11 17 5 GLY CA C 45.438 0.069 1 12 17 5 GLY N N 109.534 0.048 1 13 18 6 LEU H H 8.137 0.004 1 14 18 6 LEU C C 175.915 0.006 1 15 18 6 LEU CA C 55.248 0.019 1 16 18 6 LEU CB C 42.415 0.09 1 17 18 6 LEU N N 121.744 0.016 1 18 19 7 SER H H 8.251 0.003 1 19 19 7 SER C C 179.569 0.003 1 20 19 7 SER CA C 58.132 0.002 1 21 19 7 SER CB C 63.913 0.013 1 22 19 7 SER N N 116.513 0.026 1 23 20 8 ARG H H 8.181 0.003 1 24 20 8 ARG C C 178.665 0.012 1 25 20 8 ARG CA C 55.672 0.046 1 26 20 8 ARG CB C 31.018 0.074 1 27 20 8 ARG N N 123.982 0.019 1 28 21 9 GLU H H 8.415 0.002 1 29 21 9 GLU C C 177.958 0.009 1 30 21 9 GLU CA C 54.538 0.101 1 31 21 9 GLU CB C 32.222 0.041 1 32 21 9 GLU N N 124.911 0.073 1 33 22 10 TYR H H 8.908 0.003 1 34 22 10 TYR C C 178.339 0.021 1 35 22 10 TYR CA C 55.771 0.072 1 36 22 10 TYR CB C 39.672 0.042 1 37 22 10 TYR N N 124.052 0.031 1 38 23 11 LYS H H 9.102 0.007 1 39 23 11 LYS C C 178.108 0.002 1 40 23 11 LYS CA C 55.541 0.057 1 41 23 11 LYS CB C 33.552 0.014 1 42 23 11 LYS N N 124.65 0.048 1 43 24 12 LEU H H 9.437 0.004 1 44 24 12 LEU C C 177.625 0.034 1 45 24 12 LEU CA C 52.284 0.061 1 46 24 12 LEU CB C 44.471 0.057 1 47 24 12 LEU N N 124.2 0.031 1 48 25 13 VAL H H 7.565 0.004 1 49 25 13 VAL C C 178.798 0.018 1 50 25 13 VAL CA C 61.534 0.039 1 51 25 13 VAL CB C 34.676 0.145 1 52 25 13 VAL N N 119.061 0.062 1 53 26 14 MET H H 8.8 0.008 1 54 26 14 MET C C 178.712 0.019 1 55 26 14 MET CA C 53.791 0.019 1 56 26 14 MET CB C 32.272 0.055 1 57 26 14 MET N N 125.263 0.06 1 58 27 15 LEU H H 9.481 0.005 1 59 27 15 LEU C C 178.743 0.008 1 60 27 15 LEU CA C 52.961 0.087 1 61 27 15 LEU CB C 45.773 0.096 1 62 27 15 LEU N N 125.023 0.092 1 63 28 16 GLY H H 6.959 0.002 1 64 28 16 GLY C C 180.494 0.033 1 65 28 16 GLY CA C 45.683 0.037 1 66 28 16 GLY N N 106.811 0.054 1 67 29 17 ALA H H 9.247 0.006 1 68 29 17 ALA C C 176.68 0.001 1 69 29 17 ALA CA C 52.589 0.034 1 70 29 17 ALA CB C 19.249 0.058 1 71 29 17 ALA N N 125.08 0.069 1 72 30 18 GLY H H 8.709 0.002 1 73 30 18 GLY C C 177.282 0.011 1 74 30 18 GLY CA C 46.898 0.017 1 75 30 18 GLY N N 106.88 0.062 1 76 31 19 GLY H H 10.452 0.006 1 77 31 19 GLY C C 179.051 0 1 78 31 19 GLY CA C 46.29 0.172 1 79 31 19 GLY N N 115.366 0.068 1 80 32 20 VAL H H 7.495 0.005 1 81 32 20 VAL C C 179.174 0.001 1 82 32 20 VAL CA C 62.79 0.009 1 83 32 20 VAL CB C 32.108 0.247 1 84 32 20 VAL N N 112.405 0.031 1 85 33 21 GLY H H 8.61 0.004 1 86 33 21 GLY C C 179.269 0.035 1 87 33 21 GLY CA C 45.809 0.035 1 88 33 21 GLY N N 108.448 0.084 1 89 34 22 LYS H H 10.703 0.004 1 90 34 22 LYS CA C 60.38 0 1 91 34 22 LYS CB C 29.898 0 1 92 34 22 LYS N N 125.871 0.034 1 93 35 23 SER C C 177.213 0 1 94 35 23 SER CA C 61.412 0 1 95 35 23 SER CB C 70.523 0 1 96 36 24 ALA H H 9.261 0.003 1 97 36 24 ALA C C 173.661 0.009 1 98 36 24 ALA CA C 55.537 0.072 1 99 36 24 ALA CB C 19.043 0.196 1 100 36 24 ALA N N 127.072 0.09 1 101 37 25 MET H H 9.095 0.004 1 102 37 25 MET C C 175.504 0.009 1 103 37 25 MET CA C 60.517 0.126 1 104 37 25 MET CB C 34.477 0.108 1 105 37 25 MET N N 116.964 0.049 1 106 38 26 THR H H 8.13 0.005 1 107 38 26 THR C C 179.632 0 1 108 38 26 THR CA C 58.073 0 1 109 38 26 THR CB C 67.81 0 1 110 38 26 THR N N 116.552 0.074 1 111 42 30 ILE C C 175.504 0 1 112 42 30 ILE CA C 62.789 0 1 113 42 30 ILE CB C 38.034 0 1 114 43 31 SER H H 8.22 0.006 1 115 43 31 SER C C 179.573 0.014 1 116 43 31 SER CA C 57.956 0.001 1 117 43 31 SER CB C 65.943 0.092 1 118 43 31 SER N N 112.822 0.086 1 119 44 32 HIS H H 7.874 0.001 1 120 44 32 HIS C C 179.929 0.001 1 121 44 32 HIS CA C 57.435 0.017 1 122 44 32 HIS CB C 26.291 0.001 1 123 44 32 HIS N N 116.915 0.074 1 124 45 33 ARG H H 6.978 0.004 1 125 45 33 ARG C C 180.532 0.001 1 126 45 33 ARG CA C 54.481 0.123 1 127 45 33 ARG CB C 33.602 0.178 1 128 45 33 ARG N N 115.954 0.044 1 129 46 34 PHE H H 8.37 0.004 1 130 46 34 PHE C C 179.951 0 1 131 46 34 PHE CA C 56.057 0 1 132 46 34 PHE CB C 39.714 0 1 133 46 34 PHE N N 122.591 0.042 1 134 56 44 ASP C C 181.206 0 1 135 56 44 ASP CA C 52.172 0 1 136 56 44 ASP CB C 43.431 0 1 137 57 45 ALA H H 8.342 0.002 1 138 57 45 ALA C C 176.624 0.002 1 139 57 45 ALA CA C 49.724 0.012 1 140 57 45 ALA CB C 21.711 0.077 1 141 57 45 ALA N N 122.674 0.101 1 142 58 46 TYR H H 9.06 0.003 1 143 58 46 TYR C C 178.971 0.017 1 144 58 46 TYR CA C 57.145 0.121 1 145 58 46 TYR CB C 42.24 0.038 1 146 58 46 TYR N N 121.474 0.076 1 147 59 47 LYS H H 8.366 0.004 1 148 59 47 LYS C C 176.833 0.002 1 149 59 47 LYS CA C 55.077 0.07 1 150 59 47 LYS CB C 35.7 0.128 1 151 59 47 LYS N N 120.805 0.059 1 152 60 48 ILE H H 8.423 0.004 1 153 60 48 ILE C C 182.52 0.003 1 154 60 48 ILE CA C 60.299 0.031 1 155 60 48 ILE CB C 41.051 0.05 1 156 60 48 ILE N N 118.142 0.042 1 157 61 49 ARG H H 8.08 0.003 1 158 61 49 ARG C C 177.851 0.012 1 159 61 49 ARG CA C 54.828 0.04 1 160 61 49 ARG CB C 31.582 0.105 1 161 61 49 ARG N N 128.035 0.076 1 162 62 50 ILE H H 8.778 0.004 1 163 62 50 ILE C C 179.499 0.006 1 164 62 50 ILE CA C 58.772 0.046 1 165 62 50 ILE CB C 42.3 0.044 1 166 62 50 ILE N N 121.832 0.093 1 167 63 51 ARG H H 8.509 0.002 1 168 63 51 ARG C C 178.578 0 1 169 63 51 ARG CA C 56.642 0 1 170 63 51 ARG CB C 31.719 0 1 171 63 51 ARG N N 122.913 0.028 1 172 68 56 PRO C C 178.108 0 1 173 68 56 PRO CA C 63.218 0 1 174 68 56 PRO CB C 32.338 0 1 175 69 57 ALA H H 9 0.004 1 176 69 57 ALA C C 178.844 0.017 1 177 69 57 ALA CA C 51.195 0.091 1 178 69 57 ALA CB C 21.855 0.114 1 179 69 57 ALA N N 124.217 0.077 1 180 70 58 ASN H H 8.654 0.002 1 181 70 58 ASN C C 179.812 0.003 1 182 70 58 ASN CA C 52.634 0.025 1 183 70 58 ASN CB C 38.768 0.026 1 184 70 58 ASN N N 121.792 0.06 1 185 71 59 LEU H H 9.433 0.004 1 186 71 59 LEU C C 177.642 0.008 1 187 71 59 LEU CA C 53.838 0.056 1 188 71 59 LEU CB C 43.79 0.06 1 189 71 59 LEU N N 123.504 0.105 1 190 72 60 ASP H H 8.698 0.004 1 191 72 60 ASP C C 177.694 0 1 192 72 60 ASP CA C 53.844 0 1 193 72 60 ASP CB C 43.424 0 1 194 72 60 ASP N N 126.105 0.093 1 195 77 65 ALA C C 175.519 0 1 196 77 65 ALA CA C 51.531 0 1 197 77 65 ALA CB C 21.204 0 1 198 78 66 GLY H H 8.366 0.002 1 199 78 66 GLY C C 178.263 0.001 1 200 78 66 GLY CA C 46.276 0.028 1 201 78 66 GLY N N 108.514 0.034 1 202 79 67 GLN H H 8.552 0.004 1 203 79 67 GLN C C 177.222 0.011 1 204 79 67 GLN CA C 56.56 0.104 1 205 79 67 GLN CB C 28.959 0.11 1 206 79 67 GLN N N 119.209 0.032 1 207 80 68 ALA H H 8.241 0.003 1 208 80 68 ALA C C 175.608 0.002 1 209 80 68 ALA CA C 52.826 0.003 1 210 80 68 ALA CB C 19.026 0.144 1 211 80 68 ALA N N 123.635 0.022 1 212 81 69 GLU H H 8.108 0.004 1 213 81 69 GLU C C 177.382 0.004 1 214 81 69 GLU CA C 57.495 0.057 1 215 81 69 GLU CB C 30.009 0.097 1 216 81 69 GLU N N 119.242 0.047 1 217 82 70 PHE H H 8.33 0.003 1 218 82 70 PHE C C 177.133 0.001 1 219 82 70 PHE CA C 57.477 0.03 1 220 82 70 PHE CB C 39.034 0.085 1 221 82 70 PHE N N 119.952 0.024 1 222 83 71 THR H H 7.624 0.003 1 223 83 71 THR C C 178.56 0.018 1 224 83 71 THR CA C 60.932 0.065 1 225 83 71 THR CB C 71.467 0.046 1 226 83 71 THR N N 113.537 0.051 1 227 84 72 ALA H H 8.668 0.003 1 228 84 72 ALA C C 173.054 0.004 1 229 84 72 ALA CA C 55.143 0.04 1 230 84 72 ALA CB C 18.221 0.105 1 231 84 72 ALA N N 124.742 0.03 1 232 85 73 MET H H 8.412 0.003 1 233 85 73 MET C C 175.809 0.01 1 234 85 73 MET CA C 58.76 0.063 1 235 85 73 MET CB C 32.995 0.173 1 236 85 73 MET N N 117.756 0.097 1 237 86 74 ARG H H 7.873 0.004 1 238 86 74 ARG C C 175.098 0 1 239 86 74 ARG CA C 59.17 0 1 240 86 74 ARG CB C 29.452 0 1 241 86 74 ARG N N 119.954 0.067 1 242 92 80 ALA C C 174.675 0 1 243 92 80 ALA CA C 51.82 0 1 244 92 80 ALA CB C 20.105 0 1 245 93 81 GLY H H 8.133 0.003 1 246 93 81 GLY C C 180.337 0.021 1 247 93 81 GLY CA C 46.198 0.076 1 248 93 81 GLY N N 107.135 0.055 1 249 94 82 GLU H H 9.252 0.004 1 250 94 82 GLU C C 177.554 0.016 1 251 94 82 GLU CA C 57.222 0.038 1 252 94 82 GLU CB C 31.843 0.195 1 253 94 82 GLU N N 122.26 0.055 1 254 95 83 GLY H H 7.091 0.003 1 255 95 83 GLY C C 183.233 0.01 1 256 95 83 GLY CA C 46.121 0.02 1 257 95 83 GLY N N 100.593 0.027 1 258 96 84 PHE H H 8.412 0.005 1 259 96 84 PHE C C 179.947 0 1 260 96 84 PHE CA C 56.759 0 1 261 96 84 PHE CB C 43.816 0 1 262 96 84 PHE N N 119.418 0.047 1 263 98 86 ILE C C 179.652 0 1 264 98 86 ILE CA C 61.109 0 1 265 98 86 ILE CB C 38.54 0 1 266 99 87 CYS H H 8.885 0.004 1 267 99 87 CYS C C 179.28 0.005 1 268 99 87 CYS CA C 56.41 0.018 1 269 99 87 CYS CB C 30.604 0.088 1 270 99 87 CYS N N 124.968 0.124 1 271 100 88 TYR H H 9.469 0.004 1 272 100 88 TYR C C 180.895 0 1 273 100 88 TYR CA C 55.974 0.06 1 274 100 88 TYR CB C 39.508 0.123 1 275 100 88 TYR N N 121.077 0.02 1 276 101 89 SER H H 8.874 0.003 1 277 101 89 SER C C 176.722 0 1 278 101 89 SER CA C 53.84 0 1 279 101 89 SER CB C 64.803 0 1 280 101 89 SER N N 112.98 0.105 1 281 102 90 ILE C C 176.691 0 1 282 102 90 ILE CA C 64.297 0 1 283 102 90 ILE CB C 37.982 0 1 284 103 91 THR H H 8.388 0.004 1 285 103 91 THR C C 179.988 0 1 286 103 91 THR CA C 61.397 0.022 1 287 103 91 THR CB C 68.867 0.145 1 288 103 91 THR N N 111.462 0.049 1 289 104 92 ASP H H 7.721 0.002 1 290 104 92 ASP C C 176.996 0.008 1 291 104 92 ASP CA C 52.195 0.052 1 292 104 92 ASP CB C 42.522 0.098 1 293 104 92 ASP N N 120.627 0.027 1 294 105 93 ARG H H 9.501 0.003 1 295 105 93 ARG C C 175.702 0.007 1 296 105 93 ARG CA C 59.987 0.005 1 297 105 93 ARG CB C 29.401 0.056 1 298 105 93 ARG N N 127.666 0.045 1 299 106 94 ARG H H 8.164 0.002 1 300 106 94 ARG C C 173.781 0.001 1 301 106 94 ARG CA C 60.007 0.079 1 302 106 94 ARG CB C 28.756 0.138 1 303 106 94 ARG N N 119.208 0.03 1 304 107 95 SER H H 7.928 0.003 1 305 107 95 SER C C 177.305 0.007 1 306 107 95 SER CA C 61.837 0.083 1 307 107 95 SER CB C 63.59 0.032 1 308 107 95 SER N N 116.927 0.019 1 309 108 96 PHE H H 7.411 0.004 1 310 108 96 PHE C C 175.571 0.005 1 311 108 96 PHE CA C 59.724 0.068 1 312 108 96 PHE CB C 40.187 0.132 1 313 108 96 PHE N N 125.968 0.029 1 314 109 97 HIS H H 8.3 0.003 1 315 109 97 HIS C C 174.654 0.004 1 316 109 97 HIS CA C 58.804 0.165 1 317 109 97 HIS CB C 29.789 0.087 1 318 109 97 HIS N N 120.87 0.055 1 319 110 98 GLU H H 8.026 0.004 1 320 110 98 GLU C C 175.712 0.008 1 321 110 98 GLU CA C 58.52 0.028 1 322 110 98 GLU CB C 29.68 0.131 1 323 110 98 GLU N N 117.594 0.035 1 324 111 99 VAL H H 7.676 0.002 1 325 111 99 VAL C C 175.249 0.001 1 326 111 99 VAL CA C 67.644 0.093 1 327 111 99 VAL CB C 31.026 0.057 1 328 111 99 VAL N N 119.336 0.047 1 329 112 100 ARG H H 7.613 0.003 1 330 112 100 ARG C C 174.601 0 1 331 112 100 ARG CA C 60.634 0.032 1 332 112 100 ARG CB C 29.57 0.228 1 333 112 100 ARG N N 115.339 0.084 1 334 113 101 GLU H H 7.317 0.003 1 335 113 101 GLU C C 173.475 0.001 1 336 113 101 GLU CA C 58.614 0 1 337 113 101 GLU CB C 28.454 0.199 1 338 113 101 GLU N N 119.144 0.065 1 339 114 102 PHE H H 7.89 0.002 1 340 114 102 PHE C C 176.173 0.002 1 341 114 102 PHE CA C 62.821 0.062 1 342 114 102 PHE CB C 39.023 0.051 1 343 114 102 PHE N N 118.733 0.037 1 344 115 103 LYS H H 8.179 0.002 1 345 115 103 LYS C C 174.72 0.015 1 346 115 103 LYS CA C 58.725 0.114 1 347 115 103 LYS CB C 32.891 0.108 1 348 115 103 LYS N N 119.75 0.116 1 349 116 104 GLN H H 7.782 0.003 1 350 116 104 GLN C C 175.586 0.015 1 351 116 104 GLN CA C 58.241 0.026 1 352 116 104 GLN CB C 28.136 0.069 1 353 116 104 GLN N N 118.435 0.109 1 354 117 105 LEU H H 8.083 0.004 1 355 117 105 LEU C C 175.347 0.014 1 356 117 105 LEU CA C 58.46 0.021 1 357 117 105 LEU CB C 41.589 0.181 1 358 117 105 LEU N N 122.986 0.058 1 359 118 106 ILE H H 7.487 0.005 1 360 118 106 ILE C C 175.75 0.014 1 361 118 106 ILE CA C 65.945 0.069 1 362 118 106 ILE CB C 38.394 0.119 1 363 118 106 ILE N N 116.559 0.052 1 364 119 107 TYR H H 7.392 0.004 1 365 119 107 TYR C C 175.31 0.005 1 366 119 107 TYR CA C 61.338 0.088 1 367 119 107 TYR CB C 37.979 0.038 1 368 119 107 TYR N N 118.995 0.05 1 369 120 108 ARG H H 8.62 0.003 1 370 120 108 ARG C C 174.839 0.007 1 371 120 108 ARG CA C 59.637 0.073 1 372 120 108 ARG CB C 30.223 0.252 1 373 120 108 ARG N N 119.406 0.059 1 374 121 109 VAL H H 7.802 0.004 1 375 121 109 VAL C C 176.072 0.004 1 376 121 109 VAL CA C 65.1 0.039 1 377 121 109 VAL CB C 32.636 0.121 1 378 121 109 VAL N N 115.329 0.054 1 379 122 110 ARG H H 8.502 0.003 1 380 122 110 ARG C C 176.445 0.004 1 381 122 110 ARG CA C 55.763 0.085 1 382 122 110 ARG CB C 30.335 0.033 1 383 122 110 ARG N N 116.424 0.035 1 384 123 111 ARG H H 8.753 0.005 1 385 123 111 ARG C C 178.894 0.002 1 386 123 111 ARG CA C 56.487 0.134 1 387 123 111 ARG CB C 26.584 0.065 1 388 123 111 ARG N N 115.137 0.038 1 389 124 112 THR H H 7.115 0.002 1 390 124 112 THR C C 180.269 0 1 391 124 112 THR CA C 59.629 0 1 392 124 112 THR CB C 69.672 0 1 393 124 112 THR N N 108.78 0.041 1 394 128 116 PRO C C 179.088 0 1 395 128 116 PRO CA C 64.859 0 1 396 128 116 PRO CB C 32.839 0 1 397 129 117 VAL H H 7.916 0.004 1 398 129 117 VAL C C 178.214 0.005 1 399 129 117 VAL CA C 59.213 0.02 1 400 129 117 VAL CB C 36.859 0.099 1 401 129 117 VAL N N 121.661 0.065 1 402 130 118 VAL H H 8.161 0.003 1 403 130 118 VAL C C 181.089 0.004 1 404 130 118 VAL CA C 61.612 0.037 1 405 130 118 VAL CB C 36.349 0.091 1 406 130 118 VAL N N 120.446 0.088 1 407 131 119 LEU H H 8.384 0.003 1 408 131 119 LEU C C 179.494 0.008 1 409 131 119 LEU CA C 53.712 0.112 1 410 131 119 LEU CB C 45.602 0.061 1 411 131 119 LEU N N 128.982 0.1 1 412 132 120 VAL H H 8.933 0.004 1 413 132 120 VAL C C 179.885 0.001 1 414 132 120 VAL CA C 59.89 0.169 1 415 132 120 VAL CB C 36.389 0.071 1 416 132 120 VAL N N 124.871 0.105 1 417 133 121 GLY H H 8.376 0.009 1 418 133 121 GLY C C 179.867 0 1 419 133 121 GLY CA C 44.329 0 1 420 133 121 GLY N N 113.02 0.139 1 421 135 123 LYS C C 175.43 0 1 422 135 123 LYS CA C 57.746 0 1 423 135 123 LYS CB C 29.485 0 1 424 136 124 SER H H 9.303 0.002 1 425 136 124 SER C C 179.322 0 1 426 136 124 SER CA C 60.941 0.077 1 427 136 124 SER CB C 62.915 0.074 1 428 136 124 SER N N 114.728 0.049 1 429 137 125 ASP H H 8.612 0.002 1 430 137 125 ASP C C 176.26 0.006 1 431 137 125 ASP CA C 54.617 0.081 1 432 137 125 ASP CB C 41.639 0.011 1 433 137 125 ASP N N 115.738 0.048 1 434 138 126 LEU H H 7.973 0.004 1 435 138 126 LEU C C 175.5 0.002 1 436 138 126 LEU CA C 52.856 0.03 1 437 138 126 LEU CB C 38.944 0.158 1 438 138 126 LEU N N 124.836 0.08 1 439 139 127 LYS H H 7.382 0.003 1 440 139 127 LYS C C 174.136 0.003 1 441 139 127 LYS CA C 59.94 0.06 1 442 139 127 LYS CB C 32.776 0.058 1 443 139 127 LYS N N 118.746 0.019 1 444 140 128 GLN H H 9.199 0.004 1 445 140 128 GLN C C 177.025 0.009 1 446 140 128 GLN CA C 57.505 0.017 1 447 140 128 GLN CB C 27.747 0.022 1 448 140 128 GLN N N 117.341 0.08 1 449 141 129 LEU H H 7.548 0.003 1 450 141 129 LEU C C 177.111 0.025 1 451 141 129 LEU CA C 53.363 0.007 1 452 141 129 LEU CB C 42.517 0.117 1 453 141 129 LEU N N 118.771 0.027 1 454 142 130 ARG H H 6.936 0.003 1 455 142 130 ARG C C 177.1 0 1 456 142 130 ARG CA C 58.97 0 1 457 142 130 ARG CB C 31.64 0 1 458 142 130 ARG N N 120.069 0.026 1 459 143 131 GLN C C 178.782 0 1 460 143 131 GLN CA C 55.711 0 1 461 143 131 GLN CB C 32.218 0 1 462 144 132 VAL H H 7.569 0.003 1 463 144 132 VAL C C 177.755 0 1 464 144 132 VAL CA C 60.874 0.06 1 465 144 132 VAL CB C 34.591 0.232 1 466 144 132 VAL N N 122.316 0.037 1 467 145 133 THR H H 9.301 0.006 1 468 145 133 THR C C 176.596 0 1 469 145 133 THR CA C 61.84 0.002 1 470 145 133 THR CB C 70.733 0.062 1 471 145 133 THR N N 118.117 0.033 1 472 146 134 LYS H H 9.242 0.004 1 473 146 134 LYS C C 175.036 0.017 1 474 146 134 LYS CA C 60.407 0.12 1 475 146 134 LYS CB C 32.197 0.081 1 476 146 134 LYS N N 127.012 0.049 1 477 147 135 GLU H H 8.52 0.002 1 478 147 135 GLU C C 174.091 0.001 1 479 147 135 GLU CA C 60.329 0.001 1 480 147 135 GLU CB C 28.694 0.059 1 481 147 135 GLU N N 116.563 0.045 1 482 148 136 GLU H H 7.994 0.003 1 483 148 136 GLU C C 173.677 0.012 1 484 148 136 GLU CA C 59.469 0.104 1 485 148 136 GLU CB C 29.364 0.068 1 486 148 136 GLU N N 120.611 0.034 1 487 149 137 GLY H H 7.322 0.003 1 488 149 137 GLY C C 179.052 0.004 1 489 149 137 GLY CA C 48.124 0.032 1 490 149 137 GLY N N 109.479 0.069 1 491 150 138 LEU H H 7.846 0.003 1 492 150 138 LEU C C 173.8 0.014 1 493 150 138 LEU CA C 57.282 0.022 1 494 150 138 LEU CB C 42.091 0.046 1 495 150 138 LEU N N 121.46 0.071 1 496 151 139 ALA H H 7.94 0.005 1 497 151 139 ALA C C 172.814 0.001 1 498 151 139 ALA CA C 54.882 0.047 1 499 151 139 ALA CB C 17.906 0.147 1 500 151 139 ALA N N 120.051 0.029 1 501 152 140 LEU H H 7.419 0.003 1 502 152 140 LEU C C 175.906 0.011 1 503 152 140 LEU CA C 57.008 0.003 1 504 152 140 LEU CB C 40.924 0.078 1 505 152 140 LEU N N 122.835 0.017 1 506 153 141 ALA H H 8.055 0.002 1 507 153 141 ALA C C 173.07 0.001 1 508 153 141 ALA CA C 54.9 0.061 1 509 153 141 ALA CB C 18.895 0.135 1 510 153 141 ALA N N 121.26 0.031 1 511 154 142 ARG H H 8.134 0.003 1 512 154 142 ARG C C 173.135 0.011 1 513 154 142 ARG CA C 59.373 0.036 1 514 154 142 ARG CB C 29.653 0.019 1 515 154 142 ARG N N 117.624 0.023 1 516 155 143 GLU H H 7.699 0.001 1 517 155 143 GLU C C 174.312 0 1 518 155 143 GLU CA C 59.728 0.193 1 519 155 143 GLU CB C 28.988 0.183 1 520 155 143 GLU N N 122.645 0.035 1 521 156 144 PHE H H 8.136 0.003 1 522 156 144 PHE C C 177.731 0 1 523 156 144 PHE CA C 54.536 0 1 524 156 144 PHE CB C 38.049 0 1 525 156 144 PHE N N 117.243 0.055 1 526 159 147 PRO C C 178.963 0 1 527 159 147 PRO CA C 62.753 0 1 528 159 147 PRO CB C 32.598 0 1 529 160 148 PHE H H 7.69 0.002 1 530 160 148 PHE C C 179.799 0.006 1 531 160 148 PHE CA C 55.904 0.04 1 532 160 148 PHE CB C 43.632 0.009 1 533 160 148 PHE N N 121.142 0.028 1 534 161 149 PHE H H 7.647 0.003 1 535 161 149 PHE C C 179.909 0.019 1 536 161 149 PHE CA C 56.705 0.169 1 537 161 149 PHE CB C 44.294 0.035 1 538 161 149 PHE N N 123.167 0.065 1 539 162 150 GLU H H 7.657 0.002 1 540 162 150 GLU C C 175.359 0.002 1 541 162 150 GLU CA C 55.349 0.171 1 542 162 150 GLU CB C 31.977 0.09 1 543 162 150 GLU N N 116.839 0.063 1 544 163 151 THR H H 8.967 0.003 1 545 163 151 THR C C 177.724 0.001 1 546 163 151 THR CA C 59.826 0.058 1 547 163 151 THR CB C 73.238 0.065 1 548 163 151 THR N N 112.975 0.041 1 549 164 152 SER H H 8.119 0.005 1 550 164 152 SER C C 176.933 0.164 1 551 164 152 SER CA C 57.323 0.14 1 552 164 152 SER CB C 65.516 0.203 1 553 164 152 SER N N 109.808 0.072 1 554 165 153 ALA H H 9.592 0.005 1 555 165 153 ALA C C 176.689 0.004 1 556 165 153 ALA CA C 55.057 0.001 1 557 165 153 ALA CB C 17.884 0.159 1 558 165 153 ALA N N 134.327 0.061 1 559 166 154 ALA H H 6.82 0.003 1 560 166 154 ALA C C 175.82 0 1 561 166 154 ALA CA C 53.8 0.106 1 562 166 154 ALA CB C 17.948 0.152 1 563 166 154 ALA N N 118.757 0.034 1 564 167 155 TYR H H 6.683 0.004 1 565 167 155 TYR C C 179.87 0.006 1 566 167 155 TYR CA C 56.442 0.04 1 567 167 155 TYR CB C 37.265 0.095 1 568 167 155 TYR N N 112.747 0.045 1 569 168 156 ARG H H 7.476 0.003 1 570 168 156 ARG C C 178.683 0.002 1 571 168 156 ARG CA C 57.824 0.002 1 572 168 156 ARG CB C 29.486 0.032 1 573 168 156 ARG N N 121.266 0.064 1 574 169 157 TYR H H 8.13 0.001 1 575 169 157 TYR C C 177.221 0.001 1 576 169 157 TYR CA C 54.374 0.061 1 577 169 157 TYR CB C 37.937 0.025 1 578 169 157 TYR N N 119.871 0.033 1 579 170 158 TYR H H 8.826 0.003 1 580 170 158 TYR C C 180.287 0.012 1 581 170 158 TYR CA C 60.957 0.038 1 582 170 158 TYR CB C 35.224 0.093 1 583 170 158 TYR N N 117.27 0.121 1 584 171 159 ILE H H 7.04 0.003 1 585 171 159 ILE C C 176.212 0.001 1 586 171 159 ILE CA C 61.222 0.124 1 587 171 159 ILE CB C 35.783 0 1 588 171 159 ILE N N 117.108 0.034 1 589 172 160 ASP H H 8.27 0.002 1 590 172 160 ASP C C 176.105 0.015 1 591 172 160 ASP CA C 58.115 0.085 1 592 172 160 ASP CB C 40.266 0.056 1 593 172 160 ASP N N 116.928 0.029 1 594 173 161 ASP H H 8.06 0.003 1 595 173 161 ASP C C 175.805 0.007 1 596 173 161 ASP CA C 56.779 0.015 1 597 173 161 ASP CB C 40.32 0.054 1 598 173 161 ASP N N 114.003 0.031 1 599 174 162 VAL H H 6.751 0.003 1 600 174 162 VAL C C 177.481 0.011 1 601 174 162 VAL CA C 66.049 0.16 1 602 174 162 VAL CB C 32.041 0.005 1 603 174 162 VAL N N 117.218 0.078 1 604 175 163 PHE H H 6.385 0.005 1 605 175 163 PHE C C 174.953 0 1 606 175 163 PHE CA C 62.185 0 1 607 175 163 PHE CB C 40.273 0 1 608 175 163 PHE N N 115.87 0.067 1 609 176 164 HIS C C 175.879 0 1 610 176 164 HIS CA C 59.106 0 1 611 176 164 HIS CB C 31.044 0 1 612 177 165 ALA H H 8.23 0.002 1 613 177 165 ALA C C 172.767 0.002 1 614 177 165 ALA CA C 55.118 0.006 1 615 177 165 ALA CB C 18.283 0.096 1 616 177 165 ALA N N 119.263 0.027 1 617 178 166 LEU H H 7.593 0.003 1 618 178 166 LEU C C 175.276 0.004 1 619 178 166 LEU CA C 57.544 0.057 1 620 178 166 LEU CB C 41.347 0.081 1 621 178 166 LEU N N 118.231 0.035 1 622 179 167 VAL H H 7.966 0.005 1 623 179 167 VAL C C 175.794 0.013 1 624 179 167 VAL CA C 67.158 0.11 1 625 179 167 VAL CB C 31.072 0.011 1 626 179 167 VAL N N 118.347 0.072 1 627 180 168 ARG H H 8.42 0.003 1 628 180 168 ARG C C 173.846 0.037 1 629 180 168 ARG CA C 60.821 0.071 1 630 180 168 ARG CB C 29.843 0.128 1 631 180 168 ARG N N 119.072 0.11 1 632 181 169 GLU H H 7.959 0.004 1 633 181 169 GLU C C 174.685 0.005 1 634 181 169 GLU CA C 59.045 0.025 1 635 181 169 GLU CB C 30.064 0.179 1 636 181 169 GLU N N 119.868 0.044 1 637 182 170 ILE H H 8.275 0.004 1 638 182 170 ILE C C 174.58 0 1 639 182 170 ILE CA C 66.178 0 1 640 182 170 ILE CB C 38.344 0 1 641 182 170 ILE N N 121.38 0.099 1 642 185 173 LYS C C 174.192 0 1 643 185 173 LYS CA C 58.746 0 1 644 185 173 LYS CB C 31.818 0 1 645 186 174 GLU H H 8.074 0.002 1 646 186 174 GLU C C 174.946 0.004 1 647 186 174 GLU CA C 58.716 0 1 648 186 174 GLU CB C 29.891 0.055 1 649 186 174 GLU N N 119.125 0.025 1 650 187 175 LYS H H 7.813 0.002 1 651 187 175 LYS C C 175.528 0.003 1 652 187 175 LYS CA C 57.871 0.072 1 653 187 175 LYS CB C 32.763 0.069 1 654 187 175 LYS N N 119.009 0.041 1 655 188 176 GLU H H 7.997 0.002 1 656 188 176 GLU C C 176.642 0 1 657 188 176 GLU CA C 57.321 0.056 1 658 188 176 GLU CB C 30.016 0.078 1 659 188 176 GLU N N 118.955 0.013 1 660 189 177 ALA H H 7.843 0.003 1 661 189 177 ALA C C 175.768 0.001 1 662 189 177 ALA CA C 52.87 0.013 1 663 189 177 ALA CB C 19.258 0.074 1 664 189 177 ALA N N 122.922 0.005 1 665 190 178 VAL H H 7.865 0.002 1 666 190 178 VAL C C 178.043 0.001 1 667 190 178 VAL CA C 62.228 0.024 1 668 190 178 VAL CB C 32.448 0.122 1 669 190 178 VAL N N 118.147 0.007 1 670 191 179 LEU H H 7.809 0.002 1 671 191 179 LEU C C 170.899 0 1 672 191 179 LEU CA C 56.826 0 1 673 191 179 LEU CB C 43.457 0 1 674 191 179 LEU N N 131.339 0.026 1 stop_ save_