data_19002 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the Core Domain (11-85) of the Murine Norovirus VPg protein. ; _BMRB_accession_number 19002 _BMRB_flat_file_name bmr19002.str _Entry_type original _Submission_date 2013-02-05 _Accession_date 2013-02-05 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Solution structure of the Core Domain (11-85) of the Murine Norovirus VPg protein.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Leen Eoin N. . 2 Kwok Rex . . 3 Birtley James R. . 4 Prater Sean N. . 5 Simpson Pete J. . 6 Matthews Steve . . 7 Marchant Jan . . 8 Curry Stephen . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 455 "13C chemical shifts" 330 "15N chemical shifts" 75 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-04-29 update BMRB 'update entry citation' 2013-03-21 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 19003 'Core Domain (10-76) of the Feline Calicivirus VPg protein' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structures of the Compact Helical Core Domains of Feline Calicivirus and Murine Norovirus VPg Proteins.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23487472 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Leen Eoin N. . 2 Kwok 'K. Y Rex' . . 3 Birtley James R. . 4 Simpson Peter J. . 5 Subba-Reddy Chennareddy V. . 6 Chaudhry Yasmin . . 7 Sosnovtsev Stanislav V. . 8 Green Kim Y. . 9 Prater Sean N. . 10 Tong Michael . . 11 Young Joanna C. . 12 Chung Liliane M.W. . 13 Marchant Jan . . 14 Roberts Lisa O. . 15 Kao 'C. Cheng' . . 16 Matthews Stephen . . 17 Goodfellow Ian G. . 18 Curry Stephen . . stop_ _Journal_abbreviation 'J. Virol.' _Journal_name_full 'Journal of virology' _Journal_volume 87 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5318 _Page_last 5330 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Core Domain (11-85) of the Murine Norovirus VPg protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MNV_VPg $MNV_VPg 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_MNV_VPg _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MNV_VPg _Molecular_mass 8876.859 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 75 _Mol_residue_sequence ; GRPGVFRTRGLTDEEYDEFK KRRESRGGKYSIDDYLADRE REEELLERDEEEAIFGDGFG LKATRRSRKAERAKL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 11 GLY 2 12 ARG 3 13 PRO 4 14 GLY 5 15 VAL 6 16 PHE 7 17 ARG 8 18 THR 9 19 ARG 10 20 GLY 11 21 LEU 12 22 THR 13 23 ASP 14 24 GLU 15 25 GLU 16 26 TYR 17 27 ASP 18 28 GLU 19 29 PHE 20 30 LYS 21 31 LYS 22 32 ARG 23 33 ARG 24 34 GLU 25 35 SER 26 36 ARG 27 37 GLY 28 38 GLY 29 39 LYS 30 40 TYR 31 41 SER 32 42 ILE 33 43 ASP 34 44 ASP 35 45 TYR 36 46 LEU 37 47 ALA 38 48 ASP 39 49 ARG 40 50 GLU 41 51 ARG 42 52 GLU 43 53 GLU 44 54 GLU 45 55 LEU 46 56 LEU 47 57 GLU 48 58 ARG 49 59 ASP 50 60 GLU 51 61 GLU 52 62 GLU 53 63 ALA 54 64 ILE 55 65 PHE 56 66 GLY 57 67 ASP 58 68 GLY 59 69 PHE 60 70 GLY 61 71 LEU 62 72 LYS 63 73 ALA 64 74 THR 65 75 ARG 66 76 ARG 67 77 SER 68 78 ARG 69 79 LYS 70 80 ALA 71 81 GLU 72 82 ARG 73 83 ALA 74 84 LYS 75 85 LEU 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 PDB 2M4G "Solution Structure Of The Core Domain (11-85) Of The Murine Norovirus Vpg Protein" 100.00 75 100.00 100.00 2.37e-41 GB AAO63098 "polyprotein [Murine norovirus 1]" 100.00 1687 100.00 100.00 1.41e-40 GB ABB90153 "polyprotein [Murine norovirus 1]" 100.00 1687 100.00 100.00 3.44e-39 GB ABJ98943 "nonstructural polyprotein [Murine norovirus 1]" 100.00 1687 100.00 100.00 1.40e-40 GB ABS29272 "polyprotein, partial [Murine norovirus 5]" 100.00 1660 97.33 98.67 1.38e-39 GB ABS29274 "polyprotein, partial [Murine norovirus 6]" 100.00 1665 98.67 98.67 2.67e-40 REF YP_720001 "polyprotein [Murine norovirus 1]" 100.00 1687 100.00 100.00 3.44e-39 REF YP_724459 "NS5 [Murine norovirus 1]" 100.00 124 100.00 100.00 3.65e-41 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $MNV_VPg 'Murine norovirus' 357231 Viruses . Murine Norovirus 'MNV1 CW1' VPg stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name _Details $MNV_VPg 'recombinant technology' . Escherichia coli Bl21(DE3) Rosetta pETM11 'Expressed at 20 degrees celcuis. 6x His tag was removed prior to analysis.' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '300 mM NaCl, 50 mM NaPO4 pH 6.5, 1 mM DTT.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MNV_VPg 590 uM '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'Sodium chloride' 300 mM 'natural abundance' DTT 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '36 mM NaCl, 60 mM NaPO4 pH 6.5, 1 mM DTT, 0.1% w/v NaN3, 1x roche PI.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MNV_VPg 710 uM '[U-98% 13C; U-98% 15N]' 'sodium chloride' 360 mM 'natural abundance' 'sodium azide' 0.1 w/v 'natural abundance' DTT 1 mM 'natural abundance' 'sodium phosphate pH 6.5' 60 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'structure solution' 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_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_MARS _Saveframe_category software _Name MARS _Version . loop_ _Vendor _Address _Electronic_address 'Zweckstetter et al., 2004' . http://www3.mpibpc.mpg.de/groups/zweckstetter/_links/software_mars.htm stop_ loop_ _Task 'chemical shift assignment' 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_H(C)CH-TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(C)CH-TOCSY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aliphatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_3D_(H)CCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_H(CC)(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CC)(CO)NH' _Sample_label $sample_1 save_ save_3D_(H)C(CCO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)C(CCO)NH' _Sample_label $sample_1 save_ save_3D_(HB)CB(CGCD)HD_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (HB)CB(CGCD)HD' _Sample_label $sample_2 save_ save_3D_(HB)CB(CGCDCE)HE_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (HB)CB(CGCDCE)HE' _Sample_label $sample_2 save_ save_3D_HBHA(CBCACO)NH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CBCACO)NH' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N 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' 300 . mM pH 6.5 . pH pressure 1 . atm temperature 303 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 360 . mM pH 6.5 . pH pressure 1 . Pa temperature 303 . 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 4.7 internal indirect . . . 0.251449530 water H 1 protons ppm 4.7 internal direct . . . 1 water N 15 protons ppm 4.7 internal 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 H(C)CH-TOCSY' '3D (H)CCH-TOCSY' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HN(CA)CO' '3D H(CC)(CO)NH' '3D (H)C(CCO)NH' '3D (HB)CB(CGCD)HD' '3D (HB)CB(CGCDCE)HE' '3D HBHA(CBCACO)NH' '3D 1H-13C NOESY' '3D 1H-15N NOESY' 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 MNV_VPg _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 11 1 GLY HA2 H 3.988 0.000 2 2 11 1 GLY HA3 H 3.942 0.000 2 3 11 1 GLY H H 8.383 0.000 1 4 11 1 GLY C C 173.672 0.000 1 5 11 1 GLY CA C 45.664 0.000 1 6 11 1 GLY N N 110.122 0.000 1 7 12 2 ARG H H 8.140 0.000 1 8 12 2 ARG HA H 4.640 0.000 1 9 12 2 ARG HB2 H 1.740 0.000 2 10 12 2 ARG HB3 H 1.840 0.000 2 11 12 2 ARG HG2 H 1.660 0.000 2 12 12 2 ARG HG3 H 1.660 0.000 2 13 12 2 ARG HD2 H 3.170 0.000 2 14 12 2 ARG HD3 H 3.170 0.000 2 15 12 2 ARG C C 174.242 0.000 1 16 12 2 ARG CA C 53.900 0.000 1 17 12 2 ARG CB C 30.400 0.000 1 18 12 2 ARG CG C 26.800 0.000 1 19 12 2 ARG CD C 43.600 0.000 1 20 12 2 ARG N N 121.400 0.000 1 21 13 3 PRO HA H 4.457 0.000 1 22 13 3 PRO HB2 H 1.951 0.000 2 23 13 3 PRO HB3 H 2.328 0.000 2 24 13 3 PRO HG2 H 2.041 0.000 2 25 13 3 PRO HG3 H 2.059 0.000 2 26 13 3 PRO HD2 H 3.834 0.000 2 27 13 3 PRO HD3 H 3.647 0.000 2 28 13 3 PRO C C 177.524 0.000 1 29 13 3 PRO CA C 63.259 0.000 1 30 13 3 PRO CB C 32.067 0.000 1 31 13 3 PRO CG C 27.553 0.000 1 32 13 3 PRO CD C 50.670 0.000 1 33 14 4 GLY H H 8.467 0.000 1 34 14 4 GLY HA2 H 3.936 0.000 2 35 14 4 GLY HA3 H 3.943 0.000 2 36 14 4 GLY C C 174.227 0.000 1 37 14 4 GLY CA C 45.497 0.000 1 38 14 4 GLY N N 109.192 0.000 1 39 15 5 VAL H H 7.837 0.000 1 40 15 5 VAL HA H 4.081 0.000 1 41 15 5 VAL HB H 2.012 0.000 1 42 15 5 VAL HG1 H 0.842 0.000 2 43 15 5 VAL HG2 H 0.850 0.000 2 44 15 5 VAL C C 175.986 0.000 1 45 15 5 VAL CA C 62.529 0.000 1 46 15 5 VAL CB C 32.491 0.000 1 47 15 5 VAL CG1 C 21.064 0.000 1 48 15 5 VAL CG2 C 20.668 0.000 1 49 15 5 VAL N N 119.157 0.000 1 50 16 6 PHE H H 8.265 0.000 1 51 16 6 PHE HA H 4.614 0.000 1 52 16 6 PHE HB2 H 3.010 0.000 2 53 16 6 PHE HB3 H 3.139 0.000 2 54 16 6 PHE HD1 H 7.240 0.000 3 55 16 6 PHE HD2 H 7.240 0.000 3 56 16 6 PHE C C 175.804 0.000 1 57 16 6 PHE CA C 58.398 0.000 1 58 16 6 PHE CB C 39.475 0.000 1 59 16 6 PHE CD1 C 131.883 0.000 3 60 16 6 PHE CD2 C 131.883 0.000 3 61 16 6 PHE N N 123.110 0.000 1 62 17 7 ARG H H 8.155 0.000 1 63 17 7 ARG HA H 4.323 0.000 1 64 17 7 ARG HB2 H 1.756 0.000 2 65 17 7 ARG HB3 H 1.813 0.000 2 66 17 7 ARG HG2 H 1.548 0.000 2 67 17 7 ARG HG3 H 1.554 0.000 2 68 17 7 ARG HD2 H 3.144 0.000 2 69 17 7 ARG HD3 H 3.144 0.000 2 70 17 7 ARG C C 176.452 0.000 1 71 17 7 ARG CA C 56.710 0.000 1 72 17 7 ARG CB C 30.937 0.000 1 73 17 7 ARG CG C 27.047 0.000 1 74 17 7 ARG CD C 43.367 0.000 1 75 17 7 ARG N N 122.074 0.000 1 76 18 8 THR H H 8.015 0.000 1 77 18 8 THR HA H 4.231 0.000 1 78 18 8 THR HB H 4.194 0.000 1 79 18 8 THR HG2 H 1.173 0.000 1 80 18 8 THR C C 174.348 0.000 1 81 18 8 THR CA C 62.410 0.000 1 82 18 8 THR CB C 69.509 0.000 1 83 18 8 THR CG2 C 21.728 0.000 1 84 18 8 THR N N 114.223 0.000 1 85 19 9 ARG H H 8.080 0.000 1 86 19 9 ARG HA H 4.323 0.000 1 87 19 9 ARG HB2 H 1.824 0.000 2 88 19 9 ARG HB3 H 1.972 0.000 2 89 19 9 ARG HG2 H 1.650 0.000 2 90 19 9 ARG HG3 H 1.630 0.000 2 91 19 9 ARG HD2 H 3.150 0.000 2 92 19 9 ARG HD3 H 3.150 0.000 2 93 19 9 ARG C C 175.986 0.000 1 94 19 9 ARG CA C 56.093 0.000 1 95 19 9 ARG CB C 30.480 0.000 1 96 19 9 ARG CG C 26.773 0.000 1 97 19 9 ARG CD C 43.453 0.000 1 98 19 9 ARG N N 120.957 0.000 1 99 20 10 GLY H H 8.241 0.000 1 100 20 10 GLY HA2 H 3.965 0.000 2 101 20 10 GLY HA3 H 3.942 0.000 2 102 20 10 GLY C C 173.802 0.000 1 103 20 10 GLY CA C 45.273 0.000 1 104 20 10 GLY N N 107.963 0.000 1 105 21 11 LEU H H 7.967 0.000 1 106 21 11 LEU HA H 4.770 0.000 1 107 21 11 LEU HB2 H 1.639 0.000 2 108 21 11 LEU HB3 H 1.740 0.000 2 109 21 11 LEU HG H 1.764 0.000 1 110 21 11 LEU HD1 H 0.833 0.000 2 111 21 11 LEU HD2 H 0.781 0.000 2 112 21 11 LEU C C 178.414 0.000 1 113 21 11 LEU CA C 54.677 0.000 1 114 21 11 LEU CB C 43.142 0.000 1 115 21 11 LEU CG C 27.556 0.000 1 116 21 11 LEU CD1 C 23.717 0.000 1 117 21 11 LEU CD2 C 25.545 0.000 1 118 21 11 LEU N N 121.181 0.000 1 119 22 12 THR H H 9.075 0.000 1 120 22 12 THR HA H 4.558 0.000 1 121 22 12 THR HB H 4.831 0.000 1 122 22 12 THR HG2 H 1.414 0.000 1 123 22 12 THR C C 175.359 0.000 1 124 22 12 THR CA C 61.316 0.000 1 125 22 12 THR CB C 71.015 0.000 1 126 22 12 THR CG2 C 21.942 0.000 1 127 22 12 THR N N 114.494 0.000 1 128 23 13 ASP H H 8.943 0.000 1 129 23 13 ASP HA H 4.485 0.000 1 130 23 13 ASP HB2 H 2.702 0.000 2 131 23 13 ASP HB3 H 2.849 0.000 2 132 23 13 ASP C C 178.697 0.000 1 133 23 13 ASP CA C 58.315 0.000 1 134 23 13 ASP CB C 39.931 0.000 1 135 23 13 ASP N N 121.204 0.000 1 136 24 14 GLU H H 8.741 0.000 1 137 24 14 GLU HA H 4.199 0.000 1 138 24 14 GLU HB2 H 2.046 0.000 2 139 24 14 GLU HB3 H 2.129 0.000 2 140 24 14 GLU HG2 H 2.430 0.000 2 141 24 14 GLU HG3 H 2.450 0.000 2 142 24 14 GLU C C 179.911 0.000 1 143 24 14 GLU CA C 59.973 0.000 1 144 24 14 GLU CB C 29.306 0.000 1 145 24 14 GLU CG C 37.039 0.000 1 146 24 14 GLU N N 119.241 0.000 1 147 25 15 GLU H H 7.801 0.000 1 148 25 15 GLU HA H 4.200 0.000 1 149 25 15 GLU HB2 H 2.230 0.000 2 150 25 15 GLU HB3 H 2.465 0.000 2 151 25 15 GLU HG2 H 2.466 0.000 2 152 25 15 GLU HG3 H 2.540 0.000 2 153 25 15 GLU C C 178.394 0.000 1 154 25 15 GLU CA C 59.178 0.000 1 155 25 15 GLU CB C 30.873 0.000 1 156 25 15 GLU CG C 37.564 0.000 1 157 25 15 GLU N N 121.151 0.000 1 158 26 16 TYR H H 8.897 0.000 1 159 26 16 TYR HA H 4.184 0.000 1 160 26 16 TYR HB2 H 3.011 0.000 2 161 26 16 TYR HB3 H 3.175 0.000 2 162 26 16 TYR HD1 H 7.122 0.000 3 163 26 16 TYR HD2 H 7.122 0.000 3 164 26 16 TYR HE1 H 6.862 0.000 3 165 26 16 TYR HE2 H 6.862 0.000 3 166 26 16 TYR C C 177.483 0.000 1 167 26 16 TYR CA C 61.924 0.000 1 168 26 16 TYR CB C 37.837 0.000 1 169 26 16 TYR CD1 C 132.856 0.000 3 170 26 16 TYR CD2 C 132.856 0.000 3 171 26 16 TYR CE1 C 118.073 0.000 3 172 26 16 TYR CE2 C 118.073 0.000 3 173 26 16 TYR N N 120.692 0.000 1 174 27 17 ASP H H 8.135 0.000 1 175 27 17 ASP HA H 4.338 0.000 1 176 27 17 ASP HB2 H 2.686 0.000 2 177 27 17 ASP HB3 H 2.859 0.000 2 178 27 17 ASP C C 178.535 0.000 1 179 27 17 ASP CA C 57.864 0.000 1 180 27 17 ASP CB C 40.797 0.000 1 181 27 17 ASP N N 118.898 0.000 1 182 28 18 GLU H H 7.655 0.000 1 183 28 18 GLU HA H 4.101 0.000 1 184 28 18 GLU HB2 H 2.252 0.000 2 185 28 18 GLU HB3 H 2.391 0.000 2 186 28 18 GLU HG2 H 2.377 0.000 2 187 28 18 GLU HG3 H 2.548 0.000 2 188 28 18 GLU C C 178.394 0.000 1 189 28 18 GLU CA C 59.450 0.000 1 190 28 18 GLU CB C 29.231 0.000 1 191 28 18 GLU CG C 36.329 0.000 1 192 28 18 GLU N N 121.020 0.000 1 193 29 19 PHE H H 8.471 0.000 1 194 29 19 PHE HA H 3.765 0.000 1 195 29 19 PHE HB2 H 2.207 0.000 2 196 29 19 PHE HB3 H 2.883 0.000 2 197 29 19 PHE HD1 H 6.855 0.000 3 198 29 19 PHE HD2 H 6.855 0.000 3 199 29 19 PHE HE1 H 7.100 0.000 3 200 29 19 PHE HE2 H 7.101 0.000 3 201 29 19 PHE HZ H 7.330 0.000 1 202 29 19 PHE C C 176.169 0.000 1 203 29 19 PHE CA C 61.371 0.000 1 204 29 19 PHE CB C 37.588 0.000 1 205 29 19 PHE CD1 C 131.976 0.000 3 206 29 19 PHE CD2 C 131.976 0.000 3 207 29 19 PHE CE1 C 130.783 0.000 3 208 29 19 PHE CE2 C 130.783 0.000 3 209 29 19 PHE CZ C 129.383 0.000 1 210 29 19 PHE N N 121.567 0.000 1 211 30 20 LYS H H 8.287 0.000 1 212 30 20 LYS HA H 3.137 0.000 1 213 30 20 LYS HB2 H 1.657 0.000 2 214 30 20 LYS HB3 H 1.732 0.000 2 215 30 20 LYS HG2 H 1.165 0.000 2 216 30 20 LYS HG3 H 1.349 0.000 2 217 30 20 LYS HD2 H 1.640 0.000 2 218 30 20 LYS HD3 H 1.600 0.000 2 219 30 20 LYS HE2 H 2.890 0.000 2 220 30 20 LYS HE3 H 2.790 0.000 2 221 30 20 LYS C C 179.445 0.000 1 222 30 20 LYS CA C 60.346 0.000 1 223 30 20 LYS CB C 31.992 0.000 1 224 30 20 LYS CG C 25.271 0.000 1 225 30 20 LYS CD C 29.475 0.000 1 226 30 20 LYS CE C 41.539 0.000 1 227 30 20 LYS N N 118.916 0.000 1 228 31 21 LYS H H 7.690 0.000 1 229 31 21 LYS HA H 4.018 0.000 1 230 31 21 LYS HB2 H 1.934 0.000 2 231 31 21 LYS HB3 H 1.915 0.000 2 232 31 21 LYS HG2 H 1.579 0.000 2 233 31 21 LYS HG3 H 1.405 0.000 2 234 31 21 LYS HD2 H 1.696 0.000 2 235 31 21 LYS HD3 H 1.688 0.000 2 236 31 21 LYS HE2 H 2.959 0.000 2 237 31 21 LYS HE3 H 2.595 0.000 2 238 31 21 LYS C C 179.918 0.000 1 239 31 21 LYS CA C 59.700 0.000 1 240 31 21 LYS CB C 32.300 0.000 1 241 31 21 LYS CG C 25.187 0.000 1 242 31 21 LYS CD C 29.100 0.000 1 243 31 21 LYS CE C 41.933 0.000 1 244 31 21 LYS N N 120.113 0.000 1 245 32 22 ARG H H 8.299 0.000 1 246 32 22 ARG HA H 3.893 0.000 1 247 32 22 ARG HB2 H 1.308 0.000 2 248 32 22 ARG HB3 H 1.929 0.000 2 249 32 22 ARG HG2 H 1.523 0.000 2 250 32 22 ARG HG3 H 2.003 0.000 2 251 32 22 ARG HD2 H 3.238 0.000 2 252 32 22 ARG HD3 H 3.272 0.000 2 253 32 22 ARG C C 178.990 0.000 1 254 32 22 ARG CA C 59.452 0.000 1 255 32 22 ARG CB C 31.284 0.000 1 256 32 22 ARG CG C 27.830 0.000 1 257 32 22 ARG CD C 44.555 0.000 1 258 32 22 ARG N N 121.200 0.000 1 259 33 23 ARG H H 8.704 0.000 1 260 33 23 ARG HA H 3.698 0.000 1 261 33 23 ARG HB2 H 1.279 0.000 2 262 33 23 ARG HB3 H 1.694 0.000 2 263 33 23 ARG HG2 H 1.518 0.000 2 264 33 23 ARG HG3 H 1.618 0.000 2 265 33 23 ARG HD2 H 3.287 0.000 2 266 33 23 ARG HD3 H 2.994 0.000 2 267 33 23 ARG C C 178.697 0.000 1 268 33 23 ARG CA C 59.607 0.000 1 269 33 23 ARG CB C 29.570 0.000 1 270 33 23 ARG CG C 27.099 0.000 1 271 33 23 ARG CD C 44.189 0.000 1 272 33 23 ARG N N 120.223 0.000 1 273 34 24 GLU H H 7.941 0.000 1 274 34 24 GLU HA H 4.046 0.000 1 275 34 24 GLU HB2 H 2.094 0.000 2 276 34 24 GLU HB3 H 2.127 0.000 2 277 34 24 GLU HG2 H 2.278 0.000 2 278 34 24 GLU HG3 H 2.332 0.000 2 279 34 24 GLU C C 179.850 0.000 1 280 34 24 GLU CA C 59.210 0.000 1 281 34 24 GLU CB C 29.380 0.000 1 282 34 24 GLU CG C 36.329 0.000 1 283 34 24 GLU N N 119.860 0.000 1 284 35 25 SER H H 7.813 0.000 1 285 35 25 SER HA H 4.378 0.000 1 286 35 25 SER HB2 H 3.958 0.000 2 287 35 25 SER HB3 H 4.005 0.000 2 288 35 25 SER C C 175.339 0.000 1 289 35 25 SER CA C 60.068 0.000 1 290 35 25 SER CB C 63.321 0.000 1 291 35 25 SER N N 115.261 0.000 1 292 36 26 ARG H H 7.459 0.000 1 293 36 26 ARG HA H 4.439 0.000 1 294 36 26 ARG HB2 H 1.359 0.000 2 295 36 26 ARG HB3 H 2.157 0.000 2 296 36 26 ARG HG2 H 1.513 0.000 2 297 36 26 ARG HG3 H 1.460 0.000 2 298 36 26 ARG HD2 H 2.880 0.000 2 299 36 26 ARG HD3 H 2.549 0.000 2 300 36 26 ARG C C 177.524 0.000 1 301 36 26 ARG CA C 55.794 0.000 1 302 36 26 ARG CB C 30.276 0.000 1 303 36 26 ARG CG C 27.046 0.000 1 304 36 26 ARG CD C 43.271 0.000 1 305 36 26 ARG N N 119.557 0.000 1 306 37 27 GLY H H 7.981 0.000 1 307 37 27 GLY HA2 H 3.999 0.000 2 308 37 27 GLY HA3 H 4.034 0.000 2 309 37 27 GLY C C 175.117 0.000 1 310 37 27 GLY CA C 46.691 0.000 1 311 37 27 GLY N N 109.722 0.000 1 312 38 28 GLY H H 8.271 0.000 1 313 38 28 GLY HA2 H 3.571 0.000 2 314 38 28 GLY HA3 H 4.324 0.000 2 315 38 28 GLY C C 174.489 0.000 1 316 38 28 GLY CA C 45.012 0.000 1 317 38 28 GLY N N 104.904 0.000 1 318 39 29 LYS H H 7.471 0.000 1 319 39 29 LYS HA H 4.515 0.000 1 320 39 29 LYS HB2 H 1.886 0.000 2 321 39 29 LYS HB3 H 2.022 0.000 2 322 39 29 LYS HG2 H 1.458 0.000 2 323 39 29 LYS HG3 H 1.500 0.000 2 324 39 29 LYS HD2 H 1.760 0.000 2 325 39 29 LYS HD3 H 1.774 0.000 2 326 39 29 LYS HE2 H 3.063 0.000 2 327 39 29 LYS HE3 H 3.077 0.000 2 328 39 29 LYS C C 174.995 0.000 1 329 39 29 LYS CA C 55.622 0.000 1 330 39 29 LYS CB C 30.846 0.000 1 331 39 29 LYS CG C 24.631 0.000 1 332 39 29 LYS CD C 29.018 0.000 1 333 39 29 LYS CE C 42.270 0.000 1 334 39 29 LYS N N 122.169 0.000 1 335 40 30 TYR H H 7.687 0.000 1 336 40 30 TYR HA H 4.893 0.000 1 337 40 30 TYR HB2 H 2.692 0.000 2 338 40 30 TYR HB3 H 2.944 0.000 2 339 40 30 TYR HD1 H 7.105 0.000 3 340 40 30 TYR HD2 H 7.105 0.000 3 341 40 30 TYR HE1 H 6.975 0.000 3 342 40 30 TYR HE2 H 6.975 0.000 3 343 40 30 TYR C C 173.883 0.000 1 344 40 30 TYR CA C 58.629 0.000 1 345 40 30 TYR CB C 40.871 0.000 1 346 40 30 TYR CD1 C 132.832 0.000 3 347 40 30 TYR CD2 C 132.832 0.000 3 348 40 30 TYR CE1 C 118.07 0.000 3 349 40 30 TYR CE2 C 118.07 0.000 3 350 40 30 TYR N N 123.749 0.000 1 351 41 31 SER H H 9.246 0.000 1 352 41 31 SER HA H 5.061 0.000 1 353 41 31 SER HB2 H 4.001 0.000 2 354 41 31 SER HB3 H 4.377 0.000 2 355 41 31 SER C C 175.258 0.000 1 356 41 31 SER CA C 56.913 0.000 1 357 41 31 SER CB C 67.136 0.000 1 358 41 31 SER N N 124.561 0.000 1 359 42 32 ILE H H 8.848 0.000 1 360 42 32 ILE HA H 3.384 0.000 1 361 42 32 ILE HB H 1.573 0.000 1 362 42 32 ILE HG12 H 0.680 0.000 1 363 42 32 ILE HG13 H 1.090 0.000 1 364 42 32 ILE HG2 H 0.795 0.000 1 365 42 32 ILE HD1 H 0.460 0.000 1 366 42 32 ILE C C 176.573 0.000 1 367 42 32 ILE CA C 63.317 0.000 1 368 42 32 ILE CB C 37.290 0.000 1 369 42 32 ILE CG1 C 28.961 0.000 1 370 42 32 ILE CG2 C 17.658 0.000 1 371 42 32 ILE CD1 C 12.645 0.000 1 372 42 32 ILE N N 122.298 0.000 1 373 43 33 ASP H H 7.673 0.000 1 374 43 33 ASP HA H 4.317 0.000 1 375 43 33 ASP HB2 H 2.423 0.000 2 376 43 33 ASP HB3 H 2.586 0.000 2 377 43 33 ASP C C 178.940 0.000 1 378 43 33 ASP CA C 57.809 0.000 1 379 43 33 ASP CB C 40.722 0.000 1 380 43 33 ASP N N 118.987 0.000 1 381 44 34 ASP H H 7.610 0.000 1 382 44 34 ASP HA H 4.259 0.000 1 383 44 34 ASP HB2 H 2.436 0.000 2 384 44 34 ASP HB3 H 2.554 0.000 2 385 44 34 ASP C C 177.564 0.000 1 386 44 34 ASP CA C 57.624 0.000 1 387 44 34 ASP CB C 41.244 0.000 1 388 44 34 ASP N N 121.961 0.000 1 389 45 35 TYR H H 7.750 0.000 1 390 45 35 TYR HA H 4.676 0.000 1 391 45 35 TYR HB2 H 3.085 0.000 2 392 45 35 TYR HB3 H 3.249 0.000 2 393 45 35 TYR HD1 H 7.236 0.000 3 394 45 35 TYR HD2 H 7.236 0.000 3 395 45 35 TYR HE1 H 6.696 0.000 3 396 45 35 TYR HE2 H 6.696 0.000 3 397 45 35 TYR C C 177.362 0.000 1 398 45 35 TYR CA C 60.703 0.000 1 399 45 35 TYR CB C 38.747 0.000 1 400 45 35 TYR CD1 C 132.833 0.000 3 401 45 35 TYR CD2 C 132.833 0.000 3 402 45 35 TYR CE1 C 118.073 0.000 3 403 45 35 TYR CE2 C 118.073 0.000 3 404 45 35 TYR N N 121.352 0.000 1 405 46 36 LEU H H 8.544 0.000 1 406 46 36 LEU HA H 3.697 0.000 1 407 46 36 LEU HB2 H 1.417 0.000 2 408 46 36 LEU HB3 H 1.843 0.000 2 409 46 36 LEU HG H 1.935 0.000 1 410 46 36 LEU HD1 H 0.879 0.000 2 411 46 36 LEU HD2 H 0.819 0.000 2 412 46 36 LEU C C 179.850 0.000 1 413 46 36 LEU CA C 57.807 0.000 1 414 46 36 LEU CB C 41.205 0.000 1 415 46 36 LEU CG C 26.916 0.000 1 416 46 36 LEU CD1 C 25.824 0.000 1 417 46 36 LEU CD2 C 22.365 0.000 1 418 46 36 LEU N N 118.650 0.000 1 419 47 37 ALA H H 7.716 0.000 1 420 47 37 ALA HA H 4.190 0.000 1 421 47 37 ALA HB H 1.543 0.000 1 422 47 37 ALA C C 180.457 0.000 1 423 47 37 ALA CA C 55.048 0.000 1 424 47 37 ALA CB C 18.337 0.000 1 425 47 37 ALA N N 121.991 0.000 1 426 48 38 ASP H H 8.316 0.000 1 427 48 38 ASP HA H 4.505 0.000 1 428 48 38 ASP HB2 H 2.732 0.000 2 429 48 38 ASP HB3 H 2.929 0.000 2 430 48 38 ASP C C 178.596 0.000 1 431 48 38 ASP CA C 57.361 0.000 1 432 48 38 ASP CB C 40.076 0.000 1 433 48 38 ASP N N 120.788 0.000 1 434 49 39 ARG H H 8.459 0.000 1 435 49 39 ARG HA H 3.952 0.000 1 436 49 39 ARG HB2 H 1.589 0.000 2 437 49 39 ARG HB3 H 1.688 0.000 2 438 49 39 ARG HG2 H 1.305 0.000 2 439 49 39 ARG HG3 H 1.336 0.000 2 440 49 39 ARG HD2 H 2.956 0.000 2 441 49 39 ARG HD3 H 3.168 0.000 2 442 49 39 ARG HE H 7.450 0.000 1 443 49 39 ARG C C 178.454 0.000 1 444 49 39 ARG CA C 58.133 0.000 1 445 49 39 ARG CB C 29.231 0.000 1 446 49 39 ARG CG C 26.408 0.000 1 447 49 39 ARG CD C 42.818 0.000 1 448 49 39 ARG N N 120.274 0.000 1 449 49 39 ARG NE N 84.418 0.000 1 450 50 40 GLU H H 7.734 0.000 1 451 50 40 GLU HA H 4.101 0.000 1 452 50 40 GLU HB2 H 2.101 0.000 2 453 50 40 GLU HB3 H 2.133 0.000 2 454 50 40 GLU HG2 H 2.283 0.000 2 455 50 40 GLU HG3 H 2.420 0.000 2 456 50 40 GLU C C 178.353 0.000 1 457 50 40 GLU CA C 58.928 0.000 1 458 50 40 GLU CB C 29.530 0.000 1 459 50 40 GLU CG C 36.435 0.000 1 460 50 40 GLU N N 118.834 0.000 1 461 51 41 ARG H H 7.694 0.000 1 462 51 41 ARG HA H 4.240 0.000 1 463 51 41 ARG HB2 H 2.020 0.000 2 464 51 41 ARG HB3 H 2.031 0.000 2 465 51 41 ARG HG2 H 1.738 0.000 2 466 51 41 ARG HG3 H 1.812 0.000 2 467 51 41 ARG HD2 H 3.297 0.000 2 468 51 41 ARG HD3 H 3.314 0.000 2 469 51 41 ARG C C 178.370 0.000 1 470 51 41 ARG CA C 58.105 0.000 1 471 51 41 ARG CB C 30.649 0.000 1 472 51 41 ARG CG C 27.647 0.000 1 473 51 41 ARG CD C 43.458 0.000 1 474 51 41 ARG N N 119.239 0.000 1 475 52 42 GLU H H 8.299 0.000 1 476 52 42 GLU HA H 4.099 0.000 1 477 52 42 GLU HB2 H 2.128 0.000 2 478 52 42 GLU HB3 H 2.128 0.000 2 479 52 42 GLU HG2 H 2.327 0.000 2 480 52 42 GLU HG3 H 2.510 0.000 2 481 52 42 GLU C C 178.370 0.000 1 482 52 42 GLU CA C 58.538 0.000 1 483 52 42 GLU CB C 29.661 0.000 1 484 52 42 GLU CG C 36.512 0.000 1 485 52 42 GLU N N 119.667 0.000 1 486 53 43 GLU H H 8.098 0.000 1 487 53 43 GLU HA H 4.210 0.000 1 488 53 43 GLU HB2 H 2.130 0.000 2 489 53 43 GLU HB3 H 2.136 0.000 2 490 53 43 GLU HG2 H 2.337 0.000 2 491 53 43 GLU HG3 H 2.432 0.000 2 492 53 43 GLU C C 177.740 0.000 1 493 53 43 GLU CA C 58.172 0.000 1 494 53 43 GLU CB C 29.530 0.000 1 495 53 43 GLU CG C 36.421 0.000 1 496 53 43 GLU N N 119.152 0.000 1 497 54 44 GLU H H 7.968 0.000 1 498 54 44 GLU HA H 4.212 0.000 1 499 54 44 GLU HB2 H 2.131 0.000 2 500 54 44 GLU HB3 H 2.131 0.000 2 501 54 44 GLU HG2 H 2.314 0.000 2 502 54 44 GLU HG3 H 2.428 0.000 2 503 54 44 GLU C C 177.443 0.000 1 504 54 44 GLU CA C 58.081 0.000 1 505 54 44 GLU CB C 29.788 0.000 1 506 54 44 GLU CG C 36.512 0.000 1 507 54 44 GLU N N 120.097 0.000 1 508 55 45 LEU H H 7.905 0.000 1 509 55 45 LEU HA H 4.288 0.000 1 510 55 45 LEU HB2 H 1.623 0.000 2 511 55 45 LEU HB3 H 1.780 0.000 2 512 55 45 LEU HG H 1.744 0.000 1 513 55 45 LEU HD1 H 0.955 0.000 2 514 55 45 LEU HD2 H 0.906 0.000 2 515 55 45 LEU C C 177.735 0.000 1 516 55 45 LEU CA C 56.070 0.000 1 517 55 45 LEU CB C 42.062 0.000 1 518 55 45 LEU CG C 27.007 0.000 1 519 55 45 LEU CD1 C 25.048 0.000 1 520 55 45 LEU CD2 C 23.400 0.000 1 521 55 45 LEU N N 120.563 0.000 1 522 56 46 LEU H H 7.859 0.000 1 523 56 46 LEU HA H 4.312 0.000 1 524 56 46 LEU HB2 H 1.615 0.000 2 525 56 46 LEU HB3 H 1.773 0.000 2 526 56 46 LEU HG H 1.741 0.000 1 527 56 46 LEU HD1 H 0.948 0.000 2 528 56 46 LEU HD2 H 0.895 0.000 2 529 56 46 LEU C C 177.726 0.000 1 530 56 46 LEU CA C 55.979 0.000 1 531 56 46 LEU CB C 42.635 0.000 1 532 56 46 LEU CG C 27.099 0.000 1 533 56 46 LEU CD1 C 25.088 0.000 1 534 56 46 LEU CD2 C 23.534 0.000 1 535 56 46 LEU N N 121.250 0.000 1 536 57 47 GLU H H 8.153 0.000 1 537 57 47 GLU HA H 4.283 0.000 1 538 57 47 GLU HB2 H 1.995 0.000 2 539 57 47 GLU HB3 H 2.130 0.000 2 540 57 47 GLU HG2 H 2.276 0.000 2 541 57 47 GLU HG3 H 2.326 0.000 2 542 57 47 GLU C C 176.553 0.000 1 543 57 47 GLU CA C 57.076 0.000 1 544 57 47 GLU CB C 30.052 0.000 1 545 57 47 GLU CG C 36.477 0.000 1 546 57 47 GLU N N 120.632 0.000 1 547 58 48 ARG H H 8.146 0.000 1 548 58 48 ARG HA H 4.372 0.000 1 549 58 48 ARG HB2 H 1.810 0.000 2 550 58 48 ARG HB3 H 1.899 0.000 2 551 58 48 ARG HG2 H 1.660 0.000 2 552 58 48 ARG HG3 H 1.680 0.000 2 553 58 48 ARG HD2 H 3.210 0.000 2 554 58 48 ARG HD3 H 3.216 0.000 2 555 58 48 ARG C C 176.169 0.000 1 556 58 48 ARG CA C 56.344 0.000 1 557 58 48 ARG CB C 31.102 0.000 1 558 58 48 ARG CG C 27.098 0.000 1 559 58 48 ARG CD C 43.653 0.000 1 560 58 48 ARG N N 121.282 0.000 1 561 59 49 ASP H H 8.386 0.000 1 562 59 49 ASP HA H 4.639 0.000 1 563 59 49 ASP HB2 H 2.649 0.000 2 564 59 49 ASP HB3 H 2.755 0.000 2 565 59 49 ASP C C 176.553 0.000 1 566 59 49 ASP CA C 54.768 0.000 1 567 59 49 ASP CB C 41.256 0.000 1 568 59 49 ASP N N 121.619 0.000 1 569 60 50 GLU H H 8.372 0.000 1 570 60 50 GLU HA H 4.273 0.000 1 571 60 50 GLU HB2 H 1.990 0.000 2 572 60 50 GLU HB3 H 2.103 0.000 2 573 60 50 GLU HG2 H 2.261 0.000 2 574 60 50 GLU HG3 H 2.329 0.000 2 575 60 50 GLU C C 176.876 0.000 1 576 60 50 GLU CA C 57.361 0.000 1 577 60 50 GLU CB C 30.425 0.000 1 578 60 50 GLU CG C 36.511 0.000 1 579 60 50 GLU N N 121.214 0.000 1 580 61 51 GLU H H 8.384 0.000 1 581 61 51 GLU HA H 4.210 0.000 1 582 61 51 GLU HB2 H 2.093 0.000 2 583 61 51 GLU HB3 H 2.005 0.000 2 584 61 51 GLU HG2 H 2.310 0.000 2 585 61 51 GLU HG3 H 1.648 0.000 2 586 61 51 GLU C C 176.832 0.000 1 587 61 51 GLU CA C 57.734 0.000 1 588 61 51 GLU CB C 30.425 0.000 1 589 61 51 GLU CG C 36.600 0.000 1 590 61 51 GLU N N 121.077 0.000 1 591 62 52 GLU H H 8.300 0.000 1 592 62 52 GLU HA H 4.249 0.000 1 593 62 52 GLU HB2 H 1.993 0.000 2 594 62 52 GLU HB3 H 2.101 0.000 2 595 62 52 GLU HG2 H 2.277 0.000 2 596 62 52 GLU HG3 H 2.326 0.000 2 597 62 52 GLU C C 176.432 0.000 1 598 62 52 GLU CA C 57.137 0.000 1 599 62 52 GLU CB C 30.425 0.000 1 600 62 52 GLU CG C 36.344 0.000 1 601 62 52 GLU N N 121.155 0.000 1 602 63 53 ALA H H 8.178 0.000 1 603 63 53 ALA HA H 4.293 0.000 1 604 63 53 ALA HB H 1.356 0.000 1 605 63 53 ALA C C 177.483 0.000 1 606 63 53 ALA CA C 52.915 0.000 1 607 63 53 ALA CB C 19.070 0.000 1 608 63 53 ALA N N 124.607 0.000 1 609 64 54 ILE H H 7.872 0.000 1 610 64 54 ILE HA H 4.076 0.000 1 611 64 54 ILE HB H 1.753 0.000 1 612 64 54 ILE HG12 H 1.088 0.000 1 613 64 54 ILE HG13 H 1.340 0.000 1 614 64 54 ILE HG2 H 0.706 0.000 1 615 64 54 ILE HD1 H 0.805 0.000 1 616 64 54 ILE C C 176.047 0.000 1 617 64 54 ILE CA C 61.342 0.000 1 618 64 54 ILE CB C 38.700 0.000 1 619 64 54 ILE CG1 C 27.107 0.000 1 620 64 54 ILE CG2 C 17.393 0.000 1 621 64 54 ILE CD1 C 13.000 0.000 1 622 64 54 ILE N N 118.941 0.000 1 623 65 55 PHE H H 8.188 0.000 1 624 65 55 PHE HA H 4.615 0.000 1 625 65 55 PHE HB2 H 3.008 0.000 2 626 65 55 PHE HB3 H 3.189 0.000 2 627 65 55 PHE HD1 H 7.260 0.000 3 628 65 55 PHE HD2 H 7.261 0.000 3 629 65 55 PHE HE1 H 7.340 0.000 3 630 65 55 PHE HE2 H 7.340 0.000 3 631 65 55 PHE C C 176.270 0.000 1 632 65 55 PHE CA C 57.807 0.000 1 633 65 55 PHE CB C 39.827 0.000 1 634 65 55 PHE CD1 C 131.683 0.000 3 635 65 55 PHE CD2 C 131.683 0.000 3 636 65 55 PHE CE1 C 131.193 0.000 3 637 65 55 PHE CE2 C 131.193 0.000 3 638 65 55 PHE N N 122.809 0.000 1 639 66 56 GLY H H 8.213 0.000 1 640 66 56 GLY HA2 H 3.946 0.000 2 641 66 56 GLY HA3 H 3.977 0.000 2 642 66 56 GLY C C 173.802 0.000 1 643 66 56 GLY CA C 45.391 0.000 1 644 66 56 GLY N N 110.278 0.000 1 645 67 57 ASP H H 8.254 0.000 1 646 67 57 ASP HA H 4.599 0.000 1 647 67 57 ASP HB2 H 2.664 0.000 2 648 67 57 ASP HB3 H 2.720 0.000 2 649 67 57 ASP C C 176.897 0.000 1 650 67 57 ASP CA C 54.425 0.000 1 651 67 57 ASP CB C 41.265 0.000 1 652 67 57 ASP N N 120.510 0.000 1 653 68 58 GLY H H 8.342 0.000 1 654 68 58 GLY HA2 H 3.910 0.000 2 655 68 58 GLY HA3 H 3.940 0.000 2 656 68 58 GLY C C 174.307 0.000 1 657 68 58 GLY CA C 46.020 0.000 1 658 68 58 GLY N N 108.789 0.000 1 659 69 59 PHE H H 8.178 0.000 1 660 69 59 PHE HA H 4.599 0.000 1 661 69 59 PHE HB2 H 3.041 0.000 2 662 69 59 PHE HB3 H 3.199 0.000 2 663 69 59 PHE HD1 H 7.250 0.000 3 664 69 59 PHE HD2 H 7.250 0.000 3 665 69 59 PHE C C 176.432 0.000 1 666 69 59 PHE CA C 58.146 0.000 1 667 69 59 PHE CB C 39.339 0.000 1 668 69 59 PHE CD1 C 132.183 0.000 3 669 69 59 PHE CD2 C 132.183 0.000 3 670 69 59 PHE N N 119.903 0.000 1 671 70 60 GLY H H 8.382 0.000 1 672 70 60 GLY HA2 H 3.864 0.000 2 673 70 60 GLY HA3 H 3.962 0.000 2 674 70 60 GLY C C 174.227 0.000 1 675 70 60 GLY CA C 45.628 0.000 1 676 70 60 GLY N N 110.089 0.000 1 677 71 61 LEU H H 8.069 0.000 1 678 71 61 LEU HA H 4.290 0.000 1 679 71 61 LEU HB2 H 1.681 0.000 2 680 71 61 LEU HB3 H 1.615 0.000 2 681 71 61 LEU HG H 1.621 0.000 1 682 71 61 LEU HD1 H 0.957 0.000 2 683 71 61 LEU HD2 H 0.901 0.000 2 684 71 61 LEU C C 177.645 0.000 1 685 71 61 LEU CA C 55.500 0.000 1 686 71 61 LEU CB C 42.400 0.000 1 687 71 61 LEU CG C 27.007 0.000 1 688 71 61 LEU CD1 C 25.000 0.000 1 689 71 61 LEU CD2 C 23.600 0.000 1 690 71 61 LEU N N 121.600 0.000 1 691 72 62 LYS H H 8.372 0.000 1 692 72 62 LYS HA H 4.283 0.000 1 693 72 62 LYS HB2 H 1.788 0.000 2 694 72 62 LYS HB3 H 1.860 0.000 2 695 72 62 LYS HG2 H 1.424 0.000 2 696 72 62 LYS HG3 H 1.475 0.000 2 697 72 62 LYS HD2 H 1.701 0.000 2 698 72 62 LYS HD3 H 1.712 0.000 2 699 72 62 LYS HE2 H 2.978 0.000 2 700 72 62 LYS HE3 H 3.020 0.000 2 701 72 62 LYS C C 176.553 0.000 1 702 72 62 LYS CA C 56.594 0.000 1 703 72 62 LYS CB C 32.765 0.000 1 704 72 62 LYS CG C 24.961 0.000 1 705 72 62 LYS CD C 29.109 0.000 1 706 72 62 LYS CE C 42.270 0.000 1 707 72 62 LYS N N 121.214 0.000 1 708 73 63 ALA H H 8.188 0.000 1 709 73 63 ALA HA H 4.347 0.000 1 710 73 63 ALA HB H 1.411 0.000 1 711 73 63 ALA C C 178.009 0.000 1 712 73 63 ALA CA C 52.597 0.000 1 713 73 63 ALA CB C 19.239 0.000 1 714 73 63 ALA N N 124.187 0.000 1 715 74 64 THR H H 8.054 0.000 1 716 74 64 THR HA H 4.339 0.000 1 717 74 64 THR HB H 4.260 0.000 1 718 74 64 THR HG2 H 1.235 0.000 1 719 74 64 THR C C 174.753 0.000 1 720 74 64 THR CA C 62.046 0.000 1 721 74 64 THR CB C 69.779 0.000 1 722 74 64 THR CG2 C 21.760 0.000 1 723 74 64 THR N N 112.973 0.000 1 724 75 65 ARG H H 8.296 0.000 1 725 75 65 ARG HA H 4.371 0.000 1 726 75 65 ARG HB2 H 1.827 0.000 2 727 75 65 ARG HB3 H 1.916 0.000 2 728 75 65 ARG HG2 H 1.644 0.000 2 729 75 65 ARG HG3 H 1.679 0.000 2 730 75 65 ARG HD2 H 3.208 0.000 2 731 75 65 ARG HD3 H 3.216 0.000 2 732 75 65 ARG C C 176.411 0.000 1 733 75 65 ARG CA C 56.801 0.000 1 734 75 65 ARG CB C 30.798 0.000 1 735 75 65 ARG CG C 27.046 0.000 1 736 75 65 ARG CD C 43.362 0.000 1 737 75 65 ARG N N 123.112 0.000 1 738 76 66 ARG H H 8.360 0.000 1 739 76 66 ARG HA H 4.362 0.000 1 740 76 66 ARG HB2 H 1.809 0.000 2 741 76 66 ARG HB3 H 1.899 0.000 2 742 76 66 ARG HG2 H 1.658 0.000 2 743 76 66 ARG HG3 H 1.677 0.000 2 744 76 66 ARG HD2 H 3.209 0.000 2 745 76 66 ARG HD3 H 3.217 0.000 2 746 76 66 ARG C C 176.411 0.000 1 747 76 66 ARG CA C 56.689 0.000 1 748 76 66 ARG CB C 30.873 0.000 1 749 76 66 ARG CG C 26.916 0.000 1 750 76 66 ARG CD C 43.367 0.000 1 751 76 66 ARG N N 121.977 0.000 1 752 77 67 SER H H 8.325 0.000 1 753 77 67 SER HA H 4.483 0.000 1 754 77 67 SER HB2 H 3.889 0.000 2 755 77 67 SER HB3 H 3.938 0.000 2 756 77 67 SER C C 174.672 0.000 1 757 77 67 SER CA C 58.497 0.000 1 758 77 67 SER CB C 63.839 0.000 1 759 77 67 SER N N 116.981 0.000 1 760 78 68 ARG H H 8.421 0.000 1 761 78 68 ARG HA H 4.377 0.000 1 762 78 68 ARG HB2 H 1.805 0.000 2 763 78 68 ARG HB3 H 1.925 0.000 2 764 78 68 ARG HG2 H 1.666 0.000 2 765 78 68 ARG HG3 H 1.681 0.000 2 766 78 68 ARG HD2 H 3.224 0.000 2 767 78 68 ARG HD3 H 3.224 0.000 2 768 78 68 ARG C C 176.492 0.000 1 769 78 68 ARG CA C 56.619 0.000 1 770 78 68 ARG CB C 30.873 0.000 1 771 78 68 ARG CG C 27.007 0.000 1 772 78 68 ARG CD C 43.367 0.000 1 773 78 68 ARG N N 123.324 0.000 1 774 79 69 LYS H H 8.300 0.000 1 775 79 69 LYS HA H 4.266 0.000 1 776 79 69 LYS HB2 H 1.788 0.000 2 777 79 69 LYS HB3 H 1.881 0.000 2 778 79 69 LYS HG2 H 1.438 0.000 2 779 79 69 LYS HG3 H 1.497 0.000 2 780 79 69 LYS HD2 H 1.715 0.000 2 781 79 69 LYS HD3 H 1.714 0.000 2 782 79 69 LYS HE2 H 3.049 0.000 2 783 79 69 LYS HE3 H 3.049 0.000 2 784 79 69 LYS C C 176.472 0.000 1 785 79 69 LYS CA C 57.076 0.000 1 786 79 69 LYS CB C 33.186 0.000 1 787 79 69 LYS CG C 24.782 0.000 1 788 79 69 LYS CD C 29.201 0.000 1 789 79 69 LYS CE C 42.270 0.000 1 790 79 69 LYS N N 122.352 0.000 1 791 80 70 ALA H H 8.269 0.000 1 792 80 70 ALA HA H 4.308 0.000 1 793 80 70 ALA HB H 1.429 0.000 1 794 80 70 ALA C C 177.787 0.000 1 795 80 70 ALA CA C 52.597 0.000 1 796 80 70 ALA CB C 19.180 0.000 1 797 80 70 ALA N N 124.816 0.000 1 798 81 71 GLU H H 8.283 0.000 1 799 81 71 GLU HA H 4.278 0.000 1 800 81 71 GLU HB2 H 2.019 0.000 2 801 81 71 GLU HB3 H 2.100 0.000 2 802 81 71 GLU HG2 H 2.284 0.000 2 803 81 71 GLU HG3 H 2.355 0.000 2 804 81 71 GLU C C 176.614 0.000 1 805 81 71 GLU CA C 56.893 0.000 1 806 81 71 GLU CB C 30.374 0.000 1 807 81 71 GLU CG C 36.344 0.000 1 808 81 71 GLU N N 120.243 0.000 1 809 82 72 ARG H H 8.256 0.000 1 810 82 72 ARG HA H 4.378 0.000 1 811 82 72 ARG HB2 H 1.923 0.000 2 812 82 72 ARG HB3 H 1.800 0.000 2 813 82 72 ARG HG2 H 1.663 0.000 2 814 82 72 ARG HG3 H 1.685 0.000 2 815 82 72 ARG HD2 H 3.224 0.000 2 816 82 72 ARG HD3 H 3.224 0.000 2 817 82 72 ARG C C 175.946 0.000 1 818 82 72 ARG CA C 56.047 0.000 1 819 82 72 ARG CB C 30.757 0.000 1 820 82 72 ARG CG C 26.864 0.000 1 821 82 72 ARG CD C 43.453 0.000 1 822 82 72 ARG N N 121.743 0.000 1 823 83 73 ALA H H 8.241 0.000 1 824 83 73 ALA HA H 4.313 0.000 1 825 83 73 ALA HB H 1.415 0.000 1 826 83 73 ALA C C 177.322 0.000 1 827 83 73 ALA CA C 52.872 0.000 1 828 83 73 ALA CB C 19.239 0.000 1 829 83 73 ALA N N 125.049 0.000 1 830 84 74 LYS H H 8.186 0.000 1 831 84 74 LYS HA H 4.286 0.000 1 832 84 74 LYS HB2 H 1.794 0.000 2 833 84 74 LYS HB3 H 1.877 0.000 2 834 84 74 LYS HG2 H 1.460 0.000 2 835 84 74 LYS HG3 H 1.497 0.000 2 836 84 74 LYS HD2 H 1.663 0.000 2 837 84 74 LYS HD3 H 1.685 0.000 2 838 84 74 LYS HE2 H 3.038 0.000 2 839 84 74 LYS HE3 H 3.033 0.000 2 840 84 74 LYS C C 175.460 0.000 1 841 84 74 LYS CA C 56.316 0.000 1 842 84 74 LYS CB C 32.923 0.000 1 843 84 74 LYS CG C 24.768 0.000 1 844 84 74 LYS CD C 29.052 0.000 1 845 84 74 LYS CE C 42.268 0.000 1 846 84 74 LYS N N 121.088 0.000 1 847 85 75 LEU H H 7.829 0.000 1 848 85 75 LEU HA H 4.346 0.000 1 849 85 75 LEU HB2 H 1.681 0.000 2 850 85 75 LEU HB3 H 1.773 0.000 2 851 85 75 LEU HG H 0.894 0.000 1 852 85 75 LEU HD1 H 0.945 0.000 2 853 85 75 LEU HD2 H 0.891 0.000 2 854 85 75 LEU C C 182.419 0.000 1 855 85 75 LEU CA C 56.286 0.000 1 856 85 75 LEU CB C 42.900 0.000 1 857 85 75 LEU CG C 26.670 0.000 1 858 85 75 LEU CD1 C 24.677 0.000 1 859 85 75 LEU CD2 C 23.583 0.000 1 860 85 75 LEU N N 129.503 0.000 1 stop_ save_