data_19084 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The Mengovirus Leader protein ; _BMRB_accession_number 19084 _BMRB_flat_file_name bmr19084.str _Entry_type original _Submission_date 2013-03-12 _Accession_date 2013-03-12 _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 Cornilescu Claudia C. . 2 Porter Frederick W. . 3 Zao 'Kate Qin' . . 4 Davis Valarie . . 5 Palmenberg Ann C. . 6 Markley John L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 223 "13C chemical shifts" 251 "15N chemical shifts" 65 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-10-07 update BMRB 'update entry citation' 2013-04-17 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_mengoL _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structures of Mengovirus Leader Protein, its Phosphorylated Derivatives, and in Complex with Nuclear Transport Protein, RanGTPase' _Citation_status 'in press' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bacot-Davis Valjean R. . 2 Ciomperlik J. J. . 3 Basta H. A. . 4 Cornilescu Claudia C. . 5 Palmenberg Ann C. . stop_ _Journal_abbreviation 'Proc. Nat. Acad. Sci, U.S.A.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2014 _Details . loop_ _Keyword cardiovirus 'leader protein' mengovirus NMR stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name mengovirus _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label mengovirus $full_length_mengoL 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_full_length_mengoL _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common full_length_mengoL _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 71 _Mol_residue_sequence ; GSTAMATTMEQEICAHSMTF EECPKCSALQYRNGFYLLKY DEEWYPEELLTDGEDDVFDP DLDMEVVFETQ ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 THR 4 ALA 5 MET 6 ALA 7 THR 8 THR 9 MET 10 GLU 11 GLN 12 GLU 13 ILE 14 CYS 15 ALA 16 HIS 17 SER 18 MET 19 THR 20 PHE 21 GLU 22 GLU 23 CYS 24 PRO 25 LYS 26 CYS 27 SER 28 ALA 29 LEU 30 GLN 31 TYR 32 ARG 33 ASN 34 GLY 35 PHE 36 TYR 37 LEU 38 LEU 39 LYS 40 TYR 41 ASP 42 GLU 43 GLU 44 TRP 45 TYR 46 PRO 47 GLU 48 GLU 49 LEU 50 LEU 51 THR 52 ASP 53 GLY 54 GLU 55 ASP 56 ASP 57 VAL 58 PHE 59 ASP 60 PRO 61 ASP 62 LEU 63 ASP 64 MET 65 GLU 66 VAL 67 VAL 68 PHE 69 GLU 70 THR 71 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-02 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 19855 entity_1 100.00 71 100.00 100.00 3.78e-44 BMRB 19857 entity_1 100.00 71 97.18 97.18 2.34e-42 BMRB 19858 entity_1 100.00 71 98.59 98.59 2.04e-43 PDB 2M7Y "The Mengovirus Leader Protein" 100.00 71 100.00 100.00 3.78e-44 PDB 2MMH "Unphosphorylated Mengovirus Leader Protein: Nmr Studies Of The Phosphorylation Of The Mengovirus Leader Protein Reveal Stabiliz" 100.00 71 100.00 100.00 3.78e-44 PDB 2MMI "Mengovirus Leader: Structural Characterization Of The Mengovirus Leader Protein Bound To Ran Gtpase By Nuclear Magnetic Resonan" 100.00 71 100.00 100.00 3.78e-44 PDB 2MMK "Y41 And T47 Phosphorylation Of The Mengovirus Leader Protein: Nmr Studies Of The Phosphorylation Of The Mengovirus Leader Prote" 100.00 71 97.18 97.18 2.34e-42 PDB 2MML "T47 Phosphorylation Of The Mengovirus Leader Protein: Nmr Studies Of The Phosphorylation Of The Mengovirus Leader Protein Revea" 100.00 71 98.59 98.59 2.04e-43 EMBL CAE84564 "polyprotein, partial [Encephalomyocarditis virus]" 94.37 901 98.51 100.00 3.07e-39 EMBL CAE84565 "polyprotein, partial [Encephalomyocarditis virus]" 94.37 901 98.51 100.00 3.28e-39 EMBL CAE84566 "polyprotein, partial [Encephalomyocarditis virus]" 94.37 901 98.51 100.00 2.70e-39 EMBL CAE84567 "polyprotein, partial [Encephalomyocarditis virus]" 94.37 901 97.01 100.00 1.25e-38 GB AAA46547 "polyprotein [Mengo virus]" 94.37 2293 98.51 98.51 2.90e-37 GB AAB59755 "hemagglutin structural protein, partial [Mengo virus]" 94.37 901 98.51 100.00 2.70e-39 GB ABB97066 "polyprotein [Mengo virus]" 94.37 2293 100.00 100.00 3.57e-38 GB ABI15777 "polyprotein, partial [Encephalomyocarditis virus]" 94.37 2274 97.01 100.00 4.33e-37 SP P12296 "RecName: Full=Genome polyprotein; Contains: RecName: Full=Leader protein; Contains: RecName: Full=Protein VP0; AltName: Full=VP" 94.37 2293 100.00 100.00 3.57e-38 SP P32540 "RecName: Full=Genome polyprotein; Contains: RecName: Full=Protein VP0; AltName: Full=VP4-VP2; Contains: RecName: Full=Protein V" 94.37 901 98.51 100.00 2.70e-39 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $full_length_mengoL 'Mengo virus' 12104 Viruses . Cardiovirus 'Encephalomyocarditis virus' 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 $full_length_mengoL 'recombinant technology' . Escherichia coli . pET41b 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 $full_length_mengoL . mM 0.7 1 '[U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Varian600 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_Varian900 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D-(HB)CB(CGCDCE)HE_10 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-(HB)CB(CGCDCE)HE _Sample_label $sample_1 save_ save_2D-(HB)CB(CGCD)HD_11 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-(HB)CB(CGCD)HD _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 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' 100 10 mM pH 7.0 0.1 pH pressure 1 . atm temperature 298 1 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 water C 13 protons ppm 4.773 internal indirect . . . 0.25 water H 1 protons ppm 4.773 internal direct . . . 1.00 water N 15 protons ppm 4.773 internal indirect . . . 0.10 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' '2D 1H-13C HSQC' '3D HNCO' '3D CBCA(CO)NH' '3D HNCACB' '3D C(CO)NH' '3D HBHA(CO)NH' 2D-(HB)CB(CGCDCE)HE 2D-(HB)CB(CGCD)HD stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name mengovirus _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 2 2 SER HA H 4.580 . . 2 2 2 SER HB2 H 3.877 . . 3 2 2 SER HB3 H 3.877 . . 4 2 2 SER C C 174.80 . . 5 2 2 SER CA C 58.29 . . 6 2 2 SER CB C 63.99 . . 7 3 3 THR H H 8.304 . . 8 3 3 THR HA H 4.241 . . 9 3 3 THR HB H 4.353 . . 10 3 3 THR C C 174.27 . . 11 3 3 THR CA C 61.794 . . 12 3 3 THR CB C 69.697 . . 13 3 3 THR CG2 C 21.66 . . 14 3 3 THR N N 116.20 . . 15 4 4 ALA H H 8.353 . . 16 4 4 ALA HA H 4.295 . . 17 4 4 ALA HB H 1.361 . . 18 4 4 ALA C C 177.56 . . 19 4 4 ALA CA C 52.66 . . 20 4 4 ALA CB C 19.26 . . 21 4 4 ALA N N 126.44 . . 22 5 5 MET H H 8.271 . . 23 5 5 MET HA H 4.427 . . 24 5 5 MET HB3 H 1.982 . . 25 5 5 MET C C 175.91 . . 26 5 5 MET CA C 55.36 . . 27 5 5 MET CB C 33.09 . . 28 5 5 MET CG C 32.00 . . 29 5 5 MET N N 119.63 . . 30 6 6 ALA H H 8.306 . . 31 6 6 ALA HA H 4.37 . . 32 6 6 ALA HB H 1.395 . . 33 6 6 ALA C C 177.84 . . 34 6 6 ALA CA C 52.65 . . 35 6 6 ALA CB C 19.45 . . 36 6 6 ALA N N 125.18 . . 37 7 7 THR H H 8.163 . . 38 7 7 THR HA H 4.247 . . 39 7 7 THR HB H 4.387 . . 40 7 7 THR C C 174.78 . . 41 7 7 THR CA C 61.85 . . 42 7 7 THR CB C 69.86 . . 43 7 7 THR CG2 C 21.68 . . 44 7 7 THR N N 113.17 . . 45 8 8 THR H H 8.101 . . 46 8 8 THR HA H 4.43 . . 47 8 8 THR HB H 4.24 . . 48 8 8 THR CA C 61.79 . . 49 8 8 THR CB C 69.75 . . 50 8 8 THR CG2 C 21.65 . . 51 8 8 THR N N 115.69 . . 52 9 9 MET H H 8.380 . . 53 9 9 MET HA H 4.436 . . 54 9 9 MET HB2 H 1.95 . . 55 9 9 MET HB3 H 2.05 . . 56 9 9 MET C C 176.32 . . 57 9 9 MET CA C 55.88 . . 58 9 9 MET CB C 33.07 . . 59 9 9 MET CG C 32.01 . . 60 9 9 MET N N 122.30 . . 61 10 10 GLU H H 8.435 . . 62 10 10 GLU HA H 4.210 . . 63 10 10 GLU HB2 H 1.937 . . 64 10 10 GLU HB3 H 2.258 . . 65 10 10 GLU C C 176.34 . . 66 10 10 GLU CA C 57.22 . . 67 10 10 GLU CB C 30.08 . . 68 10 10 GLU CG C 36.40 . . 69 10 10 GLU N N 121.33 . . 70 11 11 GLN H H 8.215 . . 71 11 11 GLN HA H 4.373 . . 72 11 11 GLN HB2 H 1.989 . . 73 11 11 GLN HB3 H 2.139 . . 74 11 11 GLN HG3 H 2.35 . . 75 11 11 GLN HE21 H 7.58 . . 76 11 11 GLN HE22 H 6.88 . . 77 11 11 GLN C C 175.61 . . 78 11 11 GLN CA C 55.73 . . 79 11 11 GLN CB C 29.8 . . 80 11 11 GLN CG C 34.10 . . 81 11 11 GLN N N 119.53 . . 82 11 11 GLN NE2 N 112.2 . . 83 12 12 GLU H H 8.415 . . 84 12 12 GLU HA H 4.373 . . 85 12 12 GLU HB2 H 2.015 . . 86 12 12 GLU HB3 H 2.114 . . 87 12 12 GLU C C 175.33 . . 88 12 12 GLU CA C 56.80 . . 89 12 12 GLU CB C 30.58 . . 90 12 12 GLU CG C 36.44 . . 91 12 12 GLU N N 122.08 . . 92 13 13 ILE H H 7.994 . . 93 13 13 ILE HA H 4.600 . . 94 13 13 ILE HB H 1.783 . . 95 13 13 ILE C C 175.997 . . 96 13 13 ILE CA C 58.65 . . 97 13 13 ILE CB C 38.96 . . 98 13 13 ILE CG1 C 26.31 . . 99 13 13 ILE CG2 C 17.27 . . 100 13 13 ILE CD1 C 11.32 . . 101 13 13 ILE N N 121.10 . . 102 14 14 CYS H H 9.095 . . 103 14 14 CYS HA H 4.541 . . 104 14 14 CYS HB2 H 1.799 . . 105 14 14 CYS HB3 H 3.467 . . 106 14 14 CYS C C 177.20 . . 107 14 14 CYS CA C 58.07 . . 108 14 14 CYS CB C 32.97 . . 109 14 14 CYS N N 126.597 . . 110 15 15 ALA H H 8.284 . . 111 15 15 ALA HA H 3.987 . . 112 15 15 ALA HB H 0.96 . . 113 15 15 ALA C C 177.92 . . 114 15 15 ALA CA C 53.84 . . 115 15 15 ALA CB C 18.68 . . 116 15 15 ALA N N 121.82 . . 117 16 16 HIS H H 10.375 . . 118 16 16 HIS HA H 4.593 . . 119 16 16 HIS HB2 H 2.854 . . 120 16 16 HIS HB3 H 3.480 . . 121 16 16 HIS C C 174.64 . . 122 16 16 HIS CA C 56.35 . . 123 16 16 HIS CB C 29.84 . . 124 16 16 HIS N N 121.96 . . 125 17 17 SER H H 8.179 . . 126 17 17 SER HA H 3.803 . . 127 17 17 SER HB2 H 4.106 . . 128 17 17 SER HB3 H 4.106 . . 129 17 17 SER C C 172.99 . . 130 17 17 SER CA C 59.65 . . 131 17 17 SER CB C 60.90 . . 132 17 17 SER N N 112.04 . . 133 18 18 MET H H 7.568 . . 134 18 18 MET HA H 4.792 . . 135 18 18 MET HB2 H 2.018 . . 136 18 18 MET HB3 H 2.197 . . 137 18 18 MET C C 174.174 . . 138 18 18 MET CA C 53.79 . . 139 18 18 MET CB C 36.79 . . 140 18 18 MET CG C 32.52 . . 141 18 18 MET N N 119.20 . . 142 19 19 THR H H 8.450 . . 143 19 19 THR HA H 4.719 . . 144 19 19 THR HB H 4.517 . . 145 19 19 THR C C 176.40 . . 146 19 19 THR CA C 62.39 . . 147 19 19 THR CB C 69.77 . . 148 19 19 THR CG2 C 22.21 . . 149 19 19 THR N N 111.91 . . 150 20 20 PHE H H 8.452 . . 151 20 20 PHE HA H 3.806 . . 152 20 20 PHE HB2 H 2.934 . . 153 20 20 PHE HB3 H 2.934 . . 154 20 20 PHE C C 177.24 . . 155 20 20 PHE CA C 63.20 . . 156 20 20 PHE CB C 39.34 . . 157 20 20 PHE N N 122.27 . . 158 21 21 GLU H H 8.33 . . 159 21 21 GLU HA H 4.006 . . 160 21 21 GLU HB3 H 2.007 . . 161 21 21 GLU C C 177.41 . . 162 21 21 GLU CA C 58.71 . . 163 21 21 GLU CB C 29.68 . . 164 21 21 GLU CG C 36.66 . . 165 21 21 GLU N N 112.43 . . 166 22 22 GLU H H 7.488 . . 167 22 22 GLU HA H 4.220 . . 168 22 22 GLU HB2 H 2.012 . . 169 22 22 GLU HB3 H 2.012 . . 170 22 22 GLU C C 176.00 . . 171 22 22 GLU CA C 56.10 . . 172 22 22 GLU CB C 31.32 . . 173 22 22 GLU CG C 36.84 . . 174 22 22 GLU N N 116.54 . . 175 23 23 CYS H H 7.763 . . 176 23 23 CYS CA C 57.12 . . 177 23 23 CYS CB C 31.44 . . 178 23 23 CYS N N 124.74 . . 179 24 24 PRO HA H 4.284 . . 180 24 24 PRO HB2 H 1.943 . . 181 24 24 PRO HB3 H 2.258 . . 182 24 24 PRO C C 176.83 . . 183 24 24 PRO CA C 63.42 . . 184 24 24 PRO CB C 32.24 . . 185 24 24 PRO CG C 26.84 . . 186 24 24 PRO CD C 50.79 . . 187 25 25 LYS H H 8.293 . . 188 25 25 LYS HA H 4.248 . . 189 25 25 LYS HB2 H 1.411 . . 190 25 25 LYS HB3 H 1.670 . . 191 25 25 LYS C C 178.89 . . 192 25 25 LYS CA C 58.31 . . 193 25 25 LYS CB C 33.77 . . 194 25 25 LYS CG C 28.79 . . 195 25 25 LYS CD C 25.11 . . 196 25 25 LYS CE C 41.5 . . 197 25 25 LYS N N 119.40 . . 198 26 26 CYS H H 9.239 . . 199 26 26 CYS HA H 4.200 . . 200 26 26 CYS HB2 H 2.532 . . 201 26 26 CYS HB3 H 3.112 . . 202 26 26 CYS C C 177.19 . . 203 26 26 CYS CA C 63.28 . . 204 26 26 CYS CB C 29.38 . . 205 26 26 CYS N N 122.52 . . 206 27 27 SER H H 8.059 . . 207 27 27 SER HA H 4.274 . . 208 27 27 SER HB2 H 3.895 . . 209 27 27 SER HB3 H 4.052 . . 210 27 27 SER C C 175.73 . . 211 27 27 SER CA C 60.36 . . 212 27 27 SER CB C 63.47 . . 213 27 27 SER N N 113.93 . . 214 28 28 ALA H H 7.426 . . 215 28 28 ALA HA H 4.308 . . 216 28 28 ALA HB H 1.432 . . 217 28 28 ALA C C 178.40 . . 218 28 28 ALA CA C 52.94 . . 219 28 28 ALA CB C 19.07 . . 220 28 28 ALA N N 123.38 . . 221 29 29 LEU H H 7.734 . . 222 29 29 LEU HA H 4.218 . . 223 29 29 LEU HB2 H 1.540 . . 224 29 29 LEU HB3 H 1.794 . . 225 29 29 LEU C C 177.72 . . 226 29 29 LEU CA C 55.74 . . 227 29 29 LEU CB C 42.17 . . 228 29 29 LEU CG C 26.9 . . 229 29 29 LEU CD1 C 25.17 . . 230 29 29 LEU CD2 C 23.09 . . 231 29 29 LEU N N 119.06 . . 232 30 30 GLN H H 8.076 . . 233 30 30 GLN HA H 4.140 . . 234 30 30 GLN HB3 H 1.914 . . 235 30 30 GLN HG3 H 2.12 . . 236 30 30 GLN HE21 H 7.35 . . 237 30 30 GLN HE22 H 6.78 . . 238 30 30 GLN C C 175.83 . . 239 30 30 GLN CA C 56.50 . . 240 30 30 GLN CB C 29.28 . . 241 30 30 GLN CG C 33.65 . . 242 30 30 GLN N N 118.37 . . 243 30 30 GLN NE2 N 111.6 . . 244 31 31 TYR H H 7.915 . . 245 31 31 TYR HA H 4.543 . . 246 31 31 TYR HB2 H 2.876 . . 247 31 31 TYR HB3 H 2.992 . . 248 31 31 TYR C C 176.07 . . 249 31 31 TYR CA C 57.92 . . 250 31 31 TYR CB C 38.62 . . 251 31 31 TYR N N 119.69 . . 252 32 32 ARG H H 8.122 . . 253 32 32 ARG HA H 4.203 . . 254 32 32 ARG HB2 H 1.658 . . 255 32 32 ARG HB3 H 1.716 . . 256 32 32 ARG C C 175.92 . . 257 32 32 ARG CA C 56.35 . . 258 32 32 ARG CB C 30.91 . . 259 32 32 ARG CG C 26.9 . . 260 32 32 ARG CD C 43.35 . . 261 32 32 ARG N N 121.80 . . 262 33 33 ASN H H 8.371 . . 263 33 33 ASN HA H 4.573 . . 264 33 33 ASN HB2 H 2.732 . . 265 33 33 ASN HB3 H 2.840 . . 266 33 33 ASN HD21 H 7.57 . . 267 33 33 ASN HD22 H 6.90 . . 268 33 33 ASN C C 175.49 . . 269 33 33 ASN CA C 53.79 . . 270 33 33 ASN CB C 38.75 . . 271 33 33 ASN N N 119.04 . . 272 33 33 ASN ND2 N 112.1 . . 273 34 34 GLY H H 8.110 . . 274 34 34 GLY HA2 H 3.739 . . 275 34 34 GLY HA3 H 3.898 . . 276 34 34 GLY C C 173.89 . . 277 34 34 GLY CA C 45.54 . . 278 34 34 GLY N N 107.84 . . 279 35 35 PHE H H 7.919 . . 280 35 35 PHE HA H 4.508 . . 281 35 35 PHE HB2 H 2.842 . . 282 35 35 PHE HB3 H 3.035 . . 283 35 35 PHE C C 175.39 . . 284 35 35 PHE CA C 57.98 . . 285 35 35 PHE CB C 38.77 . . 286 35 35 PHE N N 119.89 . . 287 36 36 TYR H H 8.216 . . 288 36 36 TYR HA H 4.473 . . 289 36 36 TYR HB2 H 2.838 . . 290 36 36 TYR HB3 H 2.958 . . 291 36 36 TYR C C 175.16 . . 292 36 36 TYR CA C 57.97 . . 293 36 36 TYR CB C 38.88 . . 294 36 36 TYR N N 121.32 . . 295 37 37 LEU H H 7.925 . . 296 37 37 LEU HA H 4.244 . . 297 37 37 LEU HB3 H 1.477 . . 298 37 37 LEU C C 176.50 . . 299 37 37 LEU CA C 54.97 . . 300 37 37 LEU CB C 42.61 . . 301 37 37 LEU CG C 26.6 . . 302 37 37 LEU CD1 C 24.71 . . 303 37 37 LEU CD2 C 23.86 . . 304 37 37 LEU N N 123.07 . . 305 38 38 LEU H H 7.961 . . 306 38 38 LEU HA H 4.236 . . 307 38 38 LEU HB2 H 1.433 . . 308 38 38 LEU HB3 H 1.506 . . 309 38 38 LEU C C 176.64 . . 310 38 38 LEU CA C 55.11 . . 311 38 38 LEU CB C 42.48 . . 312 38 38 LEU CG C 27.1 . . 313 38 38 LEU CD1 C 24.84 . . 314 38 38 LEU CD2 C 23.65 . . 315 38 38 LEU N N 122.64 . . 316 39 39 LYS H H 8.039 . . 317 39 39 LYS HA H 4.222 . . 318 39 39 LYS HB2 H 1.564 . . 319 39 39 LYS HB3 H 1.658 . . 320 39 39 LYS C C 175.95 . . 321 39 39 LYS CA C 55.82 . . 322 39 39 LYS CB C 33.38 . . 323 39 39 LYS CG C 28.94 . . 324 39 39 LYS CD C 24.39 . . 325 39 39 LYS CE C 42.0 . . 326 39 39 LYS N N 121.46 . . 327 40 40 TYR H H 8.165 . . 328 40 40 TYR CA C 57.86 . . 329 40 40 TYR CB C 38.89 . . 330 40 40 TYR N N 121.40 . . 331 41 41 ASP HA H 4.527 . . 332 41 41 ASP HB3 H 2.612 . . 333 41 41 ASP C C 175.91 . . 334 41 41 ASP CA C 54.33 . . 335 41 41 ASP CB C 41.17 . . 336 42 42 GLU H H 8.176 . . 337 42 42 GLU HA H 4.165 . . 338 42 42 GLU HB3 H 1.989 . . 339 42 42 GLU C C 176.56 . . 340 42 42 GLU CA C 56.70 . . 341 42 42 GLU CB C 30.42 . . 342 42 42 GLU CG C 36.34 . . 343 42 42 GLU N N 120.15 . . 344 43 43 GLU H H 8.422 . . 345 43 43 GLU HA H 4.216 . . 346 43 43 GLU HB3 H 1.899 . . 347 43 43 GLU C C 175.45 . . 348 43 43 GLU CA C 56.58 . . 349 43 43 GLU CB C 30.41 . . 350 43 43 GLU CG C 36.19 . . 351 43 43 GLU N N 121.96 . . 352 44 44 TRP H H 7.993 . . 353 44 44 TRP HA H 4.547 . . 354 44 44 TRP HB3 H 3.104 . . 355 44 44 TRP C C 174.74 . . 356 44 44 TRP CA C 57.15 . . 357 44 44 TRP CB C 30.21 . . 358 44 44 TRP N N 122.29 . . 359 45 45 TYR H H 7.752 . . 360 45 45 TYR CA C 55.10 . . 361 45 45 TYR CB C 38.87 . . 362 45 45 TYR N N 124.14 . . 363 46 46 PRO C C 176.79 . . 364 46 46 PRO CA C 62.88 . . 365 46 46 PRO CB C 31.94 . . 366 46 46 PRO CG C 27.02 . . 367 46 46 PRO CD C 50.28 . . 368 47 47 GLU H H 8.375 . . 369 47 47 GLU CA C 56.76 . . 370 47 47 GLU CB C 30.42 . . 371 47 47 GLU N N 121.13 . . 372 49 49 LEU HA H 4.363 . . 373 49 49 LEU HB3 H 1.582 . . 374 49 49 LEU C C 176.94 . . 375 49 49 LEU CA C 54.91 . . 376 49 49 LEU CB C 42.39 . . 377 49 49 LEU CG C 27.02 . . 378 49 49 LEU CD1 C 24.74 . . 379 49 49 LEU CD2 C 23.54 . . 380 50 50 LEU H H 8.280 . . 381 50 50 LEU HA H 4.457 . . 382 50 50 LEU HB2 H 1.583 . . 383 50 50 LEU HB3 H 1.664 . . 384 50 50 LEU C C 177.38 . . 385 50 50 LEU CA C 54.92 . . 386 50 50 LEU CB C 42.26 . . 387 50 50 LEU CG C 26.91 . . 388 50 50 LEU CD1 C 24.95 . . 389 50 50 LEU CD2 C 23.34 . . 390 50 50 LEU N N 124.02 . . 391 51 51 THR H H 8.135 . . 392 51 51 THR HA H 4.238 . . 393 51 51 THR HB H 4.38 . . 394 51 51 THR C C 174.16 . . 395 51 51 THR CA C 61.22 . . 396 51 51 THR CB C 69.96 . . 397 51 51 THR CG2 C 21.48 . . 398 51 51 THR N N 114.73 . . 399 52 52 ASP H H 8.363 . . 400 52 52 ASP HA H 4.635 . . 401 52 52 ASP HB3 H 2.669 . . 402 52 52 ASP C C 176.58 . . 403 52 52 ASP CA C 54.43 . . 404 52 52 ASP CB C 41.38 . . 405 52 52 ASP N N 122.76 . . 406 53 53 GLY H H 8.357 . . 407 53 53 GLY HA3 H 3.956 . . 408 53 53 GLY C C 174.22 . . 409 53 53 GLY CA C 45.38 . . 410 53 53 GLY N N 109.46 . . 411 54 54 GLU H H 8.302 . . 412 54 54 GLU HA H 4.24 . . 413 54 54 GLU HB2 H 1.901 . . 414 54 54 GLU HB3 H 1.985 . . 415 54 54 GLU C C 175.98 . . 416 54 54 GLU CA C 56.40 . . 417 54 54 GLU CB C 30.45 . . 418 54 54 GLU CG C 36.16 . . 419 54 54 GLU N N 120.40 . . 420 55 55 ASP H H 8.220 . . 421 55 55 ASP HA H 4.591 . . 422 55 55 ASP HB2 H 2.561 . . 423 55 55 ASP HB3 H 2.677 . . 424 55 55 ASP C C 175.86 . . 425 55 55 ASP CA C 54.36 . . 426 55 55 ASP CB C 41.27 . . 427 55 55 ASP N N 123.65 . . 428 56 56 ASP H H 8.265 . . 429 56 56 ASP HA H 4.565 . . 430 56 56 ASP HB3 H 2.576 . . 431 56 56 ASP C C 175.80 . . 432 56 56 ASP CA C 54.37 . . 433 56 56 ASP CB C 41.11 . . 434 56 56 ASP N N 120.99 . . 435 57 57 VAL H H 7.990 . . 436 57 57 VAL HA H 4.052 . . 437 57 57 VAL C C 175.57 . . 438 57 57 VAL CA C 62.01 . . 439 57 57 VAL CB C 32.96 . . 440 57 57 VAL CG1 C 20.87 . . 441 57 57 VAL N N 120.26 . . 442 58 58 PHE H H 8.309 . . 443 58 58 PHE HA H 4.617 . . 444 58 58 PHE HB3 H 3.012 . . 445 58 58 PHE C C 174.54 . . 446 58 58 PHE CA C 57.28 . . 447 58 58 PHE CB C 39.98 . . 448 58 58 PHE N N 125.15 . . 449 59 59 ASP H H 8.303 . . 450 59 59 ASP CA C 51.42 . . 451 59 59 ASP CB C 41.50 . . 452 59 59 ASP N N 125.19 . . 453 61 61 ASP HA H 4.572 . . 454 61 61 ASP HB2 H 2.568 . . 455 61 61 ASP HB3 H 2.717 . . 456 61 61 ASP C C 176.35 . . 457 61 61 ASP CA C 54.57 . . 458 61 61 ASP CB C 40.84 . . 459 62 62 LEU H H 7.743 . . 460 62 62 LEU HA H 4.243 . . 461 62 62 LEU HB3 H 1.583 . . 462 62 62 LEU C C 177.09 . . 463 62 62 LEU CA C 55.36 . . 464 62 62 LEU CB C 42.54 . . 465 62 62 LEU CG C 26.68 . . 466 62 62 LEU CD1 C 24.86 . . 467 62 62 LEU CD2 C 23.48 . . 468 62 62 LEU N N 121.95 . . 469 63 63 ASP H H 8.256 . . 470 63 63 ASP HA H 4.586 . . 471 63 63 ASP HB2 H 2.560 . . 472 63 63 ASP HB3 H 2.729 . . 473 63 63 ASP C C 176.08 . . 474 63 63 ASP CA C 54.41 . . 475 63 63 ASP CB C 41.00 . . 476 63 63 ASP N N 121.21 . . 477 64 64 MET H H 8.132 . . 478 64 64 MET CA C 55.40 . . 479 64 64 MET CB C 33.16 . . 480 64 64 MET CG C 31.93 . . 481 64 64 MET N N 120.75 . . 482 65 65 GLU HA H 4.241 . . 483 65 65 GLU HB3 H 1.958 . . 484 65 65 GLU C C 176.21 . . 485 65 65 GLU CA C 56.65 . . 486 65 65 GLU CB C 30.22 . . 487 66 66 VAL H H 8.100 . . 488 66 66 VAL HA H 4.003 . . 489 66 66 VAL HB H 1.932 . . 490 66 66 VAL C C 175.66 . . 491 66 66 VAL CA C 62.37 . . 492 66 66 VAL CB C 32.74 . . 493 66 66 VAL CG1 C 21.05 . . 494 66 66 VAL N N 122.44 . . 495 67 67 VAL H H 8.124 . . 496 67 67 VAL HA H 4.054 . . 497 67 67 VAL HB H 1.944 . . 498 67 67 VAL C C 175.64 . . 499 67 67 VAL CA C 61.90 . . 500 67 67 VAL CB C 33.02 . . 501 67 67 VAL CG1 C 20.91 . . 502 67 67 VAL N N 124.85 . . 503 68 68 PHE H H 8.369 . . 504 68 68 PHE HA H 4.649 . . 505 68 68 PHE HB2 H 2.953 . . 506 68 68 PHE HB3 H 3.113 . . 507 68 68 PHE C C 175.50 . . 508 68 68 PHE CA C 57.46 . . 509 68 68 PHE CB C 39.96 . . 510 68 68 PHE N N 125.00 . . 511 69 69 GLU H H 8.402 . . 512 69 69 GLU HA H 4.341 . . 513 69 69 GLU HB2 H 1.902 . . 514 69 69 GLU HB3 H 2.018 . . 515 69 69 GLU C C 176.18 . . 516 69 69 GLU CA C 56.41 . . 517 69 69 GLU CB C 30.64 . . 518 69 69 GLU CG C 36.19 . . 519 69 69 GLU N N 122.96 . . 520 70 70 THR H H 8.220 . . 521 70 70 THR HA H 4.309 . . 522 70 70 THR HB H 4.205 . . 523 70 70 THR C C 173.70 . . 524 70 70 THR CA C 61.79 . . 525 70 70 THR CB C 69.88 . . 526 70 70 THR CG2 C 21.56 . . 527 70 70 THR N N 116.00 . . 528 71 71 GLN H H 8.054 . . 529 71 71 GLN HA H 4.17 . . 530 71 71 GLN HB2 H 1.91 . . 531 71 71 GLN HB3 H 2.11 . . 532 71 71 GLN HG3 H 2.29 . . 533 71 71 GLN HE21 H 7.51 . . 534 71 71 GLN HE22 H 6.78 . . 535 71 71 GLN CA C 57.41 . . 536 71 71 GLN CB C 30.51 . . 537 71 71 GLN CG C 34.3 . . 538 71 71 GLN N N 127.75 . . 539 71 71 GLN NE2 N 112.1 . . stop_ save_