data_25459 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Fungus protein Q8J180_MAGGR ; _BMRB_accession_number 25459 _BMRB_flat_file_name bmr25459.str _Entry_type original _Submission_date 2015-01-30 _Accession_date 2015-01-30 _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 'de Guillen' Karine . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 423 "13C chemical shifts" 238 "15N chemical shifts" 86 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-08-30 update BMRB 'update entry citation' 2015-10-12 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 25460 'Fungus protein B9WZW9_MAGOR' stop_ _Original_release_date 2015-10-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure analysis uncovers a highly diverse but structurally conserved effector family in phytopathogenic fungi ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26506000 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'de Guillen' Karine . . 2 Ortiz-Vallejo Diana . . 3 Gracy Jerome . . 4 Fournier Elisabeth . . 5 Kroj Thomas . . 6 Padilla Andre . . stop_ _Journal_abbreviation 'PLOS PATHOG.' _Journal_volume 11 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e1005228 _Page_last e1005228 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Fungus protein Q8J180_MAGGR' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label AVR1-CO39 $AVR1-CO39 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_AVR1-CO39 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common AVR1-CO39 _Molecular_mass 9136.090 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 98 _Mol_residue_sequence ; APQDNTSMGSSHHHHHHSSG RENLYFQGHMAWKDCIIQRY KDGDVNNIYTANRNEEITIE EYKVFVNEACHPYPVILPDR SVLSGDFTSAYADDDESC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -8 ALA 2 -7 PRO 3 -6 GLN 4 -5 ASP 5 -4 ASN 6 -3 THR 7 -2 SER 8 -1 MET 9 0 GLY 10 1 SER 11 2 SER 12 3 HIS 13 4 HIS 14 5 HIS 15 6 HIS 16 7 HIS 17 8 HIS 18 9 SER 19 10 SER 20 11 GLY 21 12 ARG 22 13 GLU 23 14 ASN 24 15 LEU 25 16 TYR 26 17 PHE 27 18 GLN 28 19 GLY 29 20 HIS 30 21 MET 31 22 ALA 32 23 TRP 33 24 LYS 34 25 ASP 35 26 CYS 36 27 ILE 37 28 ILE 38 29 GLN 39 30 ARG 40 31 TYR 41 32 LYS 42 33 ASP 43 34 GLY 44 35 ASP 45 36 VAL 46 37 ASN 47 38 ASN 48 39 ILE 49 40 TYR 50 41 THR 51 42 ALA 52 43 ASN 53 44 ARG 54 45 ASN 55 46 GLU 56 47 GLU 57 48 ILE 58 49 THR 59 50 ILE 60 51 GLU 61 52 GLU 62 53 TYR 63 54 LYS 64 55 VAL 65 56 PHE 66 57 VAL 67 58 ASN 68 59 GLU 69 60 ALA 70 61 CYS 71 62 HIS 72 63 PRO 73 64 TYR 74 65 PRO 75 66 VAL 76 67 ILE 77 68 LEU 78 69 PRO 79 70 ASP 80 71 ARG 81 72 SER 82 73 VAL 83 74 LEU 84 75 SER 85 76 GLY 86 77 ASP 87 78 PHE 88 79 THR 89 80 SER 90 81 ALA 91 82 TYR 92 83 ALA 93 84 ASP 94 85 ASP 95 86 ASP 96 87 GLU 97 88 SER 98 89 CYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UNP Q8J180_MAGGR AVR1-CO39 . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $AVR1-CO39 'Rice blast fungus' 148305 Eukaryota Fungi Magnaporthe grisea 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 _Details $AVR1-CO39 'recombinant technology' . Escherichia coli 'BL21 DE3' pET-SP ; The expression product from the system is a fusion protein with a periplasmic secretion sequence, a hexahistidine tag and a TEV cleavage site at the N-terminus of the protein ; stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C-15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $AVR1-CO39 1 mM '[U-13C; U-15N]' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' NaCl 150 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ save_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $AVR1-CO39 1 mM [U-15N] D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' NaCl 150 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ save_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $AVR1-CO39 1 mM 'natural abundance' D2O 100 % 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' NaCl 150 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ save_H2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $AVR1-CO39 1 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' NaCl 150 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CCPN _Saveframe_category software _Name CCPN _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_TALOS+ _Saveframe_category software _Name TALOS+ _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $13C-15N save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $13C-15N save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $13C-15N save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $13C-15N save_ save_3D_HN(COCA)CB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $13C-15N save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $13C-15N save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $13C-15N save_ save_2D_1H-1H_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $H2O save_ save_2D_1H-1H_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $D2O save_ save_2D_1H-1H_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $H2O save_ save_2D_DQF-COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $H2O save_ save_3D_HNCACB_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $13C-15N save_ save_3D_HN(CO)CA_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $13C-15N save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '1mM DTT' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 6.8 . pH pressure 1 . atm temperature 305 . 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' '2D 1H-13C HSQC' '3D HNCO' '3D HNCA' '3D HN(COCA)CB' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '2D 1H-1H NOESY' '2D 1H-1H TOCSY' '2D DQF-COSY' '3D HNCACB' '3D HN(CO)CA' stop_ loop_ _Sample_label $15N $13C-15N $H2O $D2O stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name AVR1-CO39 _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 20 GLY H H 8.486 . 1 2 11 20 GLY HA2 H 4.025 . 2 3 11 20 GLY HA3 H 3.944 . 2 4 11 20 GLY C C 174.92 . 1 5 11 20 GLY CA C 45.55 . 1 6 11 20 GLY N N 110.87 . 1 7 12 21 ARG H H 8.158 . 1 8 12 21 ARG HA H 4.270 . 1 9 12 21 ARG HB2 H 1.717 . 2 10 12 21 ARG HB3 H 1.554 . 2 11 12 21 ARG HG2 H 2.190 . 2 12 12 21 ARG HG3 H 1.833 . 2 13 12 21 ARG C C 177.00 . 1 14 12 21 ARG CA C 56.54 . 1 15 12 21 ARG CB C 30.55 . 1 16 12 21 ARG N N 120.35 . 1 17 13 22 GLU H H 8.623 . 1 18 13 22 GLU HA H 4.180 . 1 19 13 22 GLU HB2 H 1.941 . 2 20 13 22 GLU HB3 H 2.249 . 2 21 13 22 GLU HG2 H 2.016 . 2 22 13 22 GLU C C 176.89 . 1 23 13 22 GLU CA C 57.51 . 1 24 13 22 GLU CB C 29.48 . 1 25 13 22 GLU N N 120.74 . 1 26 14 23 ASN H H 8.281 . 1 27 14 23 ASN HA H 4.697 . 1 28 14 23 ASN HB2 H 2.711 . 2 29 14 23 ASN HB3 H 2.773 . 2 30 14 23 ASN HD21 H 7.539 . 2 31 14 23 ASN HD22 H 6.856 . 2 32 14 23 ASN C C 175.76 . 1 33 14 23 ASN CA C 53.64 . 1 34 14 23 ASN CB C 38.78 . 1 35 14 23 ASN CG C 176.86 . 1 36 14 23 ASN N N 118.46 . 1 37 14 23 ASN ND2 N 112.60 . 1 38 15 24 LEU H H 7.987 . 1 39 15 24 LEU HA H 4.174 . 1 40 15 24 LEU HB2 H 1.284 . 2 41 15 24 LEU HB3 H 1.420 . 2 42 15 24 LEU HD1 H 0.710 . 2 43 15 24 LEU HD2 H 0.660 . 2 44 15 24 LEU C C 177.51 . 1 45 15 24 LEU CA C 55.82 . 1 46 15 24 LEU CB C 42.23 . 1 47 15 24 LEU N N 121.63 . 1 48 16 25 TYR H H 7.930 . 1 49 16 25 TYR HA H 4.445 . 1 50 16 25 TYR HB2 H 2.737 . 2 51 16 25 TYR HB3 H 2.858 . 2 52 16 25 TYR HD1 H 6.862 . 3 53 16 25 TYR HE1 H 6.672 . 3 54 16 25 TYR C C 176.24 . 1 55 16 25 TYR CA C 58.18 . 1 56 16 25 TYR CB C 38.54 . 1 57 16 25 TYR N N 118.95 . 1 58 17 26 PHE H H 7.905 . 1 59 17 26 PHE HA H 4.500 . 1 60 17 26 PHE HB2 H 3.020 . 2 61 17 26 PHE HB3 H 2.878 . 2 62 17 26 PHE HD1 H 7.096 . 3 63 17 26 PHE C C 176.00 . 1 64 17 26 PHE CA C 57.82 . 1 65 17 26 PHE CB C 39.29 . 1 66 17 26 PHE N N 120.45 . 1 67 18 27 GLN H H 8.108 . 1 68 18 27 GLN HA H 4.202 . 1 69 18 27 GLN HB2 H 1.871 . 2 70 18 27 GLN HB3 H 2.060 . 2 71 18 27 GLN HG2 H 2.199 . 2 72 18 27 GLN HE21 H 7.363 . 2 73 18 27 GLN HE22 H 6.786 . 2 74 18 27 GLN C C 176.65 . 1 75 18 27 GLN CA C 56.13 . 1 76 18 27 GLN CB C 28.92 . 1 77 18 27 GLN CD C 180.33 . 1 78 18 27 GLN N N 121.06 . 1 79 18 27 GLN NE2 N 111.83 . 1 80 19 28 GLY H H 7.992 . 1 81 19 28 GLY HA2 H 3.901 . 2 82 19 28 GLY HA3 H 3.780 . 2 83 19 28 GLY C C 174.30 . 1 84 19 28 GLY CA C 45.48 . 1 85 19 28 GLY N N 108.55 . 1 86 21 30 MET H H 7.862 . 1 87 21 30 MET HA H 4.209 . 1 88 21 30 MET HB2 H 1.540 . 2 89 21 30 MET HG2 H 2.011 . 2 90 21 30 MET C C 175.13 . 1 91 21 30 MET CA C 55.08 . 1 92 21 30 MET CB C 32.99 . 1 93 21 30 MET N N 120.77 . 1 94 22 31 ALA H H 8.020 . 1 95 22 31 ALA HA H 4.295 . 1 96 22 31 ALA HB H 1.239 . 1 97 22 31 ALA C C 177.16 . 1 98 22 31 ALA CA C 51.43 . 1 99 22 31 ALA CB C 18.38 . 1 100 22 31 ALA N N 125.19 . 1 101 23 32 TRP H H 7.831 . 1 102 23 32 TRP HA H 4.700 . 1 103 23 32 TRP HB2 H 3.344 . 2 104 23 32 TRP HB3 H 3.143 . 2 105 23 32 TRP HD1 H 7.194 . 1 106 23 32 TRP HE1 H 7.539 . 1 107 23 32 TRP HE3 H 9.932 . 1 108 23 32 TRP HZ2 H 6.909 . 1 109 23 32 TRP HZ3 H 7.055 . 1 110 23 32 TRP HH2 H 7.389 . 1 111 23 32 TRP C C 177.30 . 1 112 23 32 TRP CA C 57.33 . 1 113 23 32 TRP CB C 30.76 . 1 114 23 32 TRP N N 121.41 . 1 115 23 32 TRP NE1 N 128.88 . 1 116 24 33 LYS H H 8.127 . 1 117 24 33 LYS HA H 4.672 . 1 118 24 33 LYS HB2 H 1.787 . 2 119 24 33 LYS HB3 H 1.524 . 2 120 24 33 LYS HG2 H 1.252 . 2 121 24 33 LYS HG3 H 1.608 . 2 122 24 33 LYS HD2 H 1.409 . 2 123 24 33 LYS HE2 H 2.901 . 2 124 24 33 LYS C C 177.24 . 1 125 24 33 LYS CA C 55.31 . 1 126 24 33 LYS CB C 33.57 . 1 127 24 33 LYS N N 123.24 . 1 128 25 34 ASP H H 8.268 . 1 129 25 34 ASP HA H 4.509 . 1 130 25 34 ASP HB2 H 2.833 . 2 131 25 34 ASP HB3 H 3.172 . 2 132 25 34 ASP C C 177.38 . 1 133 25 34 ASP CA C 58.60 . 1 134 25 34 ASP CB C 43.58 . 1 135 25 34 ASP N N 119.33 . 1 136 26 35 CYS H H 8.859 . 1 137 26 35 CYS HA H 5.446 . 1 138 26 35 CYS HB2 H 2.686 . 2 139 26 35 CYS HB3 H 2.480 . 2 140 26 35 CYS C C 175.35 . 1 141 26 35 CYS CA C 52.18 . 1 142 26 35 CYS CB C 38.46 . 1 143 26 35 CYS N N 113.79 . 1 144 27 36 ILE H H 9.092 . 1 145 27 36 ILE HA H 4.655 . 1 146 27 36 ILE HB H 1.483 . 1 147 27 36 ILE HG12 H 0.884 . 2 148 27 36 ILE HG13 H 1.436 . 2 149 27 36 ILE HG2 H 0.576 . 1 150 27 36 ILE HD1 H 0.361 . 1 151 27 36 ILE C C 174.91 . 1 152 27 36 ILE CA C 60.08 . 1 153 27 36 ILE CB C 40.13 . 1 154 27 36 ILE N N 123.52 . 1 155 28 37 ILE H H 9.102 . 1 156 28 37 ILE HA H 5.081 . 1 157 28 37 ILE HB H 1.918 . 1 158 28 37 ILE HG12 H 1.049 . 2 159 28 37 ILE HG13 H 1.139 . 2 160 28 37 ILE HG2 H 0.741 . 1 161 28 37 ILE HD1 H 0.578 . 1 162 28 37 ILE C C 175.61 . 1 163 28 37 ILE CA C 57.92 . 1 164 28 37 ILE CB C 38.86 . 1 165 28 37 ILE N N 128.95 . 1 166 29 38 GLN H H 9.207 . 1 167 29 38 GLN HA H 4.767 . 1 168 29 38 GLN HB2 H 1.728 . 2 169 29 38 GLN HB3 H 2.060 . 2 170 29 38 GLN HG2 H 1.973 . 2 171 29 38 GLN HG3 H 2.403 . 2 172 29 38 GLN HE21 H 7.041 . 2 173 29 38 GLN HE22 H 6.780 . 2 174 29 38 GLN C C 173.96 . 1 175 29 38 GLN CA C 55.15 . 1 176 29 38 GLN CB C 31.78 . 1 177 29 38 GLN CD C 179.15 . 1 178 29 38 GLN N N 125.25 . 1 179 29 38 GLN NE2 N 110.18 . 1 180 30 39 ARG H H 8.345 . 1 181 30 39 ARG HA H 5.352 . 1 182 30 39 ARG HB2 H 2.116 . 2 183 30 39 ARG HB3 H 2.247 . 2 184 30 39 ARG HG2 H 1.397 . 2 185 30 39 ARG HG3 H 1.512 . 2 186 30 39 ARG HD2 H 3.398 . 2 187 30 39 ARG HD3 H 2.875 . 2 188 30 39 ARG HE H 7.819 . 1 189 30 39 ARG C C 174.37 . 1 190 30 39 ARG CA C 53.97 . 1 191 30 39 ARG CB C 34.69 . 1 192 30 39 ARG N N 122.86 . 1 193 30 39 ARG NE N 82.1 . 1 194 31 40 TYR H H 10.00 . 1 195 31 40 TYR HA H 5.082 . 1 196 31 40 TYR HB2 H 2.747 . 2 197 31 40 TYR HB3 H 2.919 . 2 198 31 40 TYR HD1 H 6.854 . 3 199 31 40 TYR HE1 H 6.696 . 3 200 31 40 TYR C C 176.10 . 1 201 31 40 TYR CA C 57.15 . 1 202 31 40 TYR CB C 40.84 . 1 203 31 40 TYR N N 129.00 . 1 204 32 41 LYS H H 8.819 . 1 205 32 41 LYS HA H 4.541 . 1 206 32 41 LYS HB2 H 1.760 . 2 207 32 41 LYS HB3 H 1.532 . 2 208 32 41 LYS HG2 H 1.332 . 2 209 32 41 LYS HG3 H 1.250 . 2 210 32 41 LYS HD2 H 1.568 . 2 211 32 41 LYS HE2 H 2.918 . 2 212 32 41 LYS HE3 H 2.959 . 2 213 32 41 LYS C C 175.92 . 1 214 32 41 LYS CA C 56.33 . 1 215 32 41 LYS CB C 35.68 . 1 216 32 41 LYS N N 123.10 . 1 217 33 42 ASP H H 9.108 . 1 218 33 42 ASP HA H 4.311 . 1 219 33 42 ASP HB2 H 2.913 . 2 220 33 42 ASP HB3 H 2.702 . 2 221 33 42 ASP C C 176.37 . 1 222 33 42 ASP CA C 55.85 . 1 223 33 42 ASP CB C 39.77 . 1 224 33 42 ASP N N 125.57 . 1 225 34 43 GLY H H 8.576 . 1 226 34 43 GLY HA2 H 4.203 . 2 227 34 43 GLY HA3 H 3.590 . 2 228 34 43 GLY C C 173.61 . 1 229 34 43 GLY CA C 45.66 . 1 230 34 43 GLY N N 104.45 . 1 231 35 44 ASP H H 7.727 . 1 232 35 44 ASP HA H 5.075 . 1 233 35 44 ASP HB2 H 2.647 . 2 234 35 44 ASP HB3 H 2.539 . 2 235 35 44 ASP C C 175.89 . 1 236 35 44 ASP CA C 52.61 . 1 237 35 44 ASP CB C 43.86 . 1 238 35 44 ASP N N 119.51 . 1 239 36 45 VAL H H 8.709 . 1 240 36 45 VAL HA H 3.673 . 1 241 36 45 VAL HB H 1.858 . 1 242 36 45 VAL HG1 H 0.723 . 2 243 36 45 VAL HG2 H 0.702 . 2 244 36 45 VAL C C 175.94 . 1 245 36 45 VAL CA C 63.64 . 1 246 36 45 VAL CB C 31.51 . 1 247 36 45 VAL N N 122.14 . 1 248 37 46 ASN H H 9.259 . 1 249 37 46 ASN HA H 4.781 . 1 250 37 46 ASN HB2 H 2.501 . 2 251 37 46 ASN HB3 H 2.651 . 2 252 37 46 ASN HD21 H 7.549 . 2 253 37 46 ASN HD22 H 6.829 . 2 254 37 46 ASN C C 174.94 . 1 255 37 46 ASN CA C 53.90 . 1 256 37 46 ASN CB C 41.84 . 1 257 37 46 ASN CG C 175.54 . 1 258 37 46 ASN N N 127.39 . 1 259 37 46 ASN ND2 N 111.14 . 1 260 38 47 ASN H H 7.836 . 1 261 38 47 ASN HA H 4.694 . 1 262 38 47 ASN HB2 H 2.364 . 2 263 38 47 ASN HB3 H 2.519 . 2 264 38 47 ASN HD21 H 7.309 . 2 265 38 47 ASN HD22 H 6.781 . 2 266 38 47 ASN C C 172.76 . 1 267 38 47 ASN CA C 52.64 . 1 268 38 47 ASN CB C 43.82 . 1 269 38 47 ASN CG C 177.29 . 1 270 38 47 ASN N N 115.23 . 1 271 38 47 ASN ND2 N 111.00 . 1 272 39 48 ILE H H 7.927 . 1 273 39 48 ILE HA H 4.747 . 1 274 39 48 ILE HB H 1.496 . 1 275 39 48 ILE HG12 H 0.890 . 2 276 39 48 ILE HG13 H 1.304 . 2 277 39 48 ILE HG2 H 0.761 . 1 278 39 48 ILE HD1 H 0.708 . 1 279 39 48 ILE C C 173.85 . 1 280 39 48 ILE CA C 59.72 . 1 281 39 48 ILE CB C 40.80 . 1 282 39 48 ILE N N 117.77 . 1 283 40 49 TYR H H 9.170 . 1 284 40 49 TYR HA H 4.828 . 1 285 40 49 TYR HB2 H 2.344 . 2 286 40 49 TYR HB3 H 3.148 . 2 287 40 49 TYR HD1 H 6.974 . 3 288 40 49 TYR HE1 H 6.567 . 3 289 40 49 TYR C C 174.79 . 1 290 40 49 TYR CA C 55.62 . 1 291 40 49 TYR CB C 41.48 . 1 292 40 49 TYR N N 122.94 . 1 293 41 50 THR H H 8.675 . 1 294 41 50 THR HA H 5.329 . 1 295 41 50 THR HB H 4.141 . 1 296 41 50 THR HG2 H 1.180 . 1 297 41 50 THR C C 172.18 . 1 298 41 50 THR CA C 59.08 . 1 299 41 50 THR CB C 72.02 . 1 300 41 50 THR N N 113.39 . 1 301 42 51 ALA H H 7.974 . 1 302 42 51 ALA HA H 4.477 . 1 303 42 51 ALA HB H 1.203 . 1 304 42 51 ALA C C 175.61 . 1 305 42 51 ALA CA C 51.36 . 1 306 42 51 ALA CB C 24.13 . 1 307 42 51 ALA N N 124.64 . 1 308 43 52 ASN H H 9.139 . 1 309 43 52 ASN HA H 5.063 . 1 310 43 52 ASN HB2 H 2.838 . 2 311 43 52 ASN HB3 H 2.537 . 2 312 43 52 ASN HD21 H 7.667 . 2 313 43 52 ASN HD22 H 6.936 . 2 314 43 52 ASN C C 173.95 . 1 315 43 52 ASN CA C 51.51 . 1 316 43 52 ASN CB C 39.34 . 1 317 43 52 ASN CG C 176.29 . 1 318 43 52 ASN N N 120.45 . 1 319 43 52 ASN ND2 N 111.90 . 1 320 44 53 ARG H H 8.532 . 1 321 44 53 ARG HA H 3.639 . 1 322 44 53 ARG HB2 H 1.720 . 2 323 44 53 ARG HB3 H 1.525 . 2 324 44 53 ARG HG3 H 1.601 . 2 325 44 53 ARG HD2 H 3.288 . 2 326 44 53 ARG HD3 H 3.363 . 2 327 44 53 ARG HE H 7.306 . 1 328 44 53 ARG C C 178.05 . 1 329 44 53 ARG CA C 57.18 . 1 330 44 53 ARG CB C 31.96 . 1 331 44 53 ARG N N 115.13 . 1 332 44 53 ARG NE N 84.95 . 1 333 45 54 ASN H H 7.821 . 1 334 45 54 ASN HA H 4.425 . 1 335 45 54 ASN HB2 H 2.930 . 2 336 45 54 ASN HB3 H 3.116 . 2 337 45 54 ASN HD21 H 7.424 . 2 338 45 54 ASN HD22 H 6.840 . 2 339 45 54 ASN C C 174.38 . 1 340 45 54 ASN CA C 54.54 . 1 341 45 54 ASN CB C 36.53 . 1 342 45 54 ASN CG C 178.08 . 1 343 45 54 ASN N N 118.47 . 1 344 45 54 ASN ND2 N 111.50 . 1 345 46 55 GLU H H 7.505 . 1 346 46 55 GLU HA H 4.592 . 1 347 46 55 GLU HB2 H 1.976 . 2 348 46 55 GLU HB3 H 1.714 . 2 349 46 55 GLU HG2 H 2.164 . 2 350 46 55 GLU HG3 H 2.241 . 2 351 46 55 GLU C C 174.33 . 1 352 46 55 GLU CA C 55.31 . 1 353 46 55 GLU CB C 33.38 . 1 354 46 55 GLU N N 118.81 . 1 355 47 56 GLU H H 8.353 . 1 356 47 56 GLU HA H 5.284 . 1 357 47 56 GLU HB2 H 2.039 . 2 358 47 56 GLU HB3 H 2.092 . 2 359 47 56 GLU HG2 H 2.253 . 2 360 47 56 GLU C C 176.87 . 1 361 47 56 GLU CA C 54.69 . 1 362 47 56 GLU CB C 32.04 . 1 363 47 56 GLU N N 122.76 . 1 364 48 57 ILE H H 9.274 . 1 365 48 57 ILE HA H 4.782 . 1 366 48 57 ILE HB H 1.869 . 1 367 48 57 ILE HG12 H 1.122 . 2 368 48 57 ILE HG13 H 0.846 . 2 369 48 57 ILE HG2 H 0.871 . 1 370 48 57 ILE HD1 H 0.523 . 1 371 48 57 ILE C C 174.56 . 1 372 48 57 ILE CA C 59.59 . 1 373 48 57 ILE CB C 41.31 . 1 374 48 57 ILE N N 121.00 . 1 375 49 58 THR H H 8.118 . 1 376 49 58 THR HA H 4.994 . 1 377 49 58 THR HB H 3.858 . 1 378 49 58 THR HG2 H 0.962 . 1 379 49 58 THR C C 174.71 . 1 380 49 58 THR CA C 61.03 . 1 381 49 58 THR CB C 70.02 . 1 382 49 58 THR N N 115.49 . 1 383 50 59 ILE H H 8.805 . 1 384 50 59 ILE HA H 3.700 . 1 385 50 59 ILE HB H 1.368 . 1 386 50 59 ILE HG12 H -0.21 . 2 387 50 59 ILE HG13 H 0.906 . 2 388 50 59 ILE HG2 H 0.492 . 1 389 50 59 ILE HD1 H 0.188 . 1 390 50 59 ILE C C 175.00 . 1 391 50 59 ILE CA C 60.90 . 1 392 50 59 ILE CB C 39.58 . 1 393 50 59 ILE N N 128.13 . 1 394 51 60 GLU H H 8.829 . 1 395 51 60 GLU HA H 3.604 . 1 396 51 60 GLU HB2 H 2.108 . 2 397 51 60 GLU HB3 H 2.014 . 2 398 51 60 GLU HG2 H 2.276 . 2 399 51 60 GLU HG3 H 1.909 . 2 400 51 60 GLU C C 175.57 . 1 401 51 60 GLU CA C 58.49 . 1 402 51 60 GLU CB C 26.49 . 1 403 51 60 GLU N N 123.51 . 1 404 52 61 GLU H H 7.161 . 1 405 52 61 GLU HA H 4.121 . 1 406 52 61 GLU HB2 H 1.554 . 2 407 52 61 GLU HB3 H 1.587 . 2 408 52 61 GLU HG2 H 1.832 . 2 409 52 61 GLU HG3 H 1.930 . 2 410 52 61 GLU C C 176.02 . 1 411 52 61 GLU CA C 56.59 . 1 412 52 61 GLU CB C 29.04 . 1 413 52 61 GLU N N 117.48 . 1 414 53 62 TYR H H 8.352 . 1 415 53 62 TYR HA H 4.764 . 1 416 53 62 TYR HB2 H 3.054 . 2 417 53 62 TYR HB3 H 2.920 . 2 418 53 62 TYR HD2 H 7.105 . 3 419 53 62 TYR HE2 H 6.752 . 3 420 53 62 TYR C C 175.26 . 1 421 53 62 TYR CA C 56.18 . 1 422 53 62 TYR CB C 39.05 . 1 423 53 62 TYR N N 122.99 . 1 424 54 63 LYS H H 8.328 . 1 425 54 63 LYS HA H 4.765 . 1 426 54 63 LYS HB2 H 1.789 . 2 427 54 63 LYS HB3 H 1.639 . 2 428 54 63 LYS HG2 H 1.449 . 2 429 54 63 LYS HD2 H 1.336 . 2 430 54 63 LYS HD3 H 1.479 . 2 431 54 63 LYS HE2 H 4.134 . 2 432 54 63 LYS HE3 H 2.878 . 2 433 54 63 LYS C C 176.81 . 1 434 54 63 LYS CA C 55.77 . 1 435 54 63 LYS CB C 32.99 . 1 436 54 63 LYS N N 122.72 . 1 437 55 64 VAL H H 8.924 . 1 438 55 64 VAL HA H 4.551 . 1 439 55 64 VAL HB H 1.637 . 1 440 55 64 VAL HG1 H 0.637 . 2 441 55 64 VAL HG2 H 0.676 . 2 442 55 64 VAL C C 173.98 . 1 443 55 64 VAL CA C 60.95 . 1 444 55 64 VAL CB C 35.71 . 1 445 55 64 VAL N N 125.31 . 1 446 56 65 PHE H H 9.064 . 1 447 56 65 PHE HA H 4.918 . 1 448 56 65 PHE HB2 H 3.233 . 2 449 56 65 PHE HB3 H 3.006 . 2 450 56 65 PHE HD2 H 7.126 . 3 451 56 65 PHE HE2 H 7.210 . 3 452 56 65 PHE HZ H 7.265 . 1 453 56 65 PHE C C 174.24 . 1 454 56 65 PHE CA C 57.31 . 1 455 56 65 PHE CB C 41.68 . 1 456 56 65 PHE N N 127.45 . 1 457 57 66 VAL H H 7.908 . 1 458 57 66 VAL HA H 4.068 . 1 459 57 66 VAL HB H 2.056 . 1 460 57 66 VAL HG1 H 0.599 . 2 461 57 66 VAL HG2 H 0.477 . 2 462 57 66 VAL C C 175.31 . 1 463 57 66 VAL CA C 61.77 . 1 464 57 66 VAL CB C 31.72 . 1 465 57 66 VAL N N 130.28 . 1 466 58 67 ASN H H 7.886 . 1 467 58 67 ASN HA H 4.597 . 1 468 58 67 ASN HB2 H 3.219 . 2 469 58 67 ASN HB3 H 3.870 . 2 470 58 67 ASN HD21 H 7.840 . 2 471 58 67 ASN HD22 H 7.457 . 2 472 58 67 ASN C C 177.61 . 1 473 58 67 ASN CA C 51.56 . 1 474 58 67 ASN CB C 38.89 . 1 475 58 67 ASN CG C 177.55 . 1 476 58 67 ASN N N 124.48 . 1 477 58 67 ASN ND2 N 112.96 . 1 478 59 68 GLU H H 8.585 . 1 479 59 68 GLU HA H 3.945 . 1 480 59 68 GLU HB2 H 2.234 . 2 481 59 68 GLU HB3 H 2.212 . 2 482 59 68 GLU HG2 H 2.308 . 2 483 59 68 GLU HG3 H 2.406 . 2 484 59 68 GLU C C 175.74 . 1 485 59 68 GLU CA C 58.57 . 1 486 59 68 GLU CB C 28.85 . 1 487 59 68 GLU N N 115.50 . 1 488 60 69 ALA H H 7.730 . 1 489 60 69 ALA HA H 4.708 . 1 490 60 69 ALA HB H 1.265 . 1 491 60 69 ALA C C 175.81 . 1 492 60 69 ALA CA C 50.56 . 1 493 60 69 ALA CB C 18.39 . 1 494 60 69 ALA N N 123.07 . 1 495 61 70 CYS H H 7.729 . 1 496 61 70 CYS HA H 3.784 . 1 497 61 70 CYS HB2 H 2.905 . 2 498 61 70 CYS HB3 H 2.376 . 2 499 61 70 CYS C C 172.82 . 1 500 61 70 CYS CA C 54.72 . 1 501 61 70 CYS CB C 31.33 . 1 502 61 70 CYS N N 107.57 . 1 503 62 71 HIS H H 7.800 . 1 504 62 71 HIS HA H 5.011 . 1 505 62 71 HIS HB2 H 3.194 . 2 506 62 71 HIS HB3 H 3.001 . 2 507 62 71 HIS HD1 H 7.108 . 1 508 62 71 HIS HE1 H 8.210 . 1 509 62 71 HIS C C 172.73 . 1 510 62 71 HIS CA C 52.56 . 1 511 62 71 HIS CB C 29.74 . 1 512 62 71 HIS N N 115.36 . 1 513 63 72 PRO HA H 5.142 . 1 514 63 72 PRO HB2 H 1.480 . 2 515 63 72 PRO HB3 H 1.832 . 2 516 63 72 PRO HG2 H 1.950 . 2 517 63 72 PRO HD2 H 3.570 . 2 518 63 72 PRO HD3 H 3.777 . 2 519 63 72 PRO C C 175.74 . 1 520 63 72 PRO CA C 61.44 . 1 521 63 72 PRO CB C 32.46 . 1 522 64 73 TYR H H 8.805 . 1 523 64 73 TYR HA H 4.476 . 1 524 64 73 TYR HB2 H 3.100 . 2 525 64 73 TYR HB3 H 3.003 . 2 526 64 73 TYR HD1 H 7.240 . 3 527 64 73 TYR HE1 H 6.855 . 3 528 64 73 TYR C C 174.61 . 1 529 64 73 TYR CA C 56.69 . 1 530 64 73 TYR CB C 41.93 . 1 531 64 73 TYR N N 118.70 . 1 532 65 74 PRO HA H 4.481 . 1 533 65 74 PRO HB2 H 1.933 . 2 534 65 74 PRO HB3 H 2.058 . 2 535 65 74 PRO HG2 H 1.560 . 2 536 65 74 PRO HG3 H 1.789 . 2 537 65 74 PRO HD2 H 3.468 . 2 538 65 74 PRO HD3 H 3.742 . 2 539 65 74 PRO C C 173.36 . 1 540 65 74 PRO CA C 62.75 . 1 541 65 74 PRO CB C 34.42 . 1 542 66 75 VAL H H 7.680 . 1 543 66 75 VAL HA H 3.847 . 1 544 66 75 VAL HB H 2.044 . 1 545 66 75 VAL HG1 H 1.087 . 2 546 66 75 VAL C C 175.21 . 1 547 66 75 VAL CA C 63.90 . 1 548 66 75 VAL CB C 32.87 . 1 549 66 75 VAL N N 113.01 . 1 550 67 76 ILE H H 7.227 . 1 551 67 76 ILE HA H 4.832 . 1 552 67 76 ILE HB H 1.627 . 1 553 67 76 ILE HG12 H 1.059 . 2 554 67 76 ILE HG13 H 1.485 . 2 555 67 76 ILE HG2 H 0.869 . 1 556 67 76 ILE HD1 H 0.766 . 1 557 67 76 ILE C C 176.98 . 1 558 67 76 ILE CA C 58.90 . 1 559 67 76 ILE CB C 39.17 . 1 560 67 76 ILE N N 116.18 . 1 561 68 77 LEU H H 8.492 . 1 562 68 77 LEU HA H 4.341 . 1 563 68 77 LEU HB2 H 1.836 . 2 564 68 77 LEU HB3 H 0.747 . 2 565 68 77 LEU HG H 1.322 . 1 566 68 77 LEU HD1 H 0.716 . 2 567 68 77 LEU HD2 H 0.485 . 2 568 68 77 LEU C C 178.17 . 1 569 68 77 LEU CA C 53.05 . 1 570 68 77 LEU CB C 40.45 . 1 571 68 77 LEU N N 126.14 . 1 572 69 78 PRO HA H 4.237 . 1 573 69 78 PRO HB2 H 1.667 . 2 574 69 78 PRO HB3 H 2.432 . 2 575 69 78 PRO HG2 H 1.897 . 2 576 69 78 PRO HG3 H 1.785 . 2 577 69 78 PRO HD2 H 3.299 . 2 578 69 78 PRO HD3 H 2.013 . 2 579 69 78 PRO C C 176.49 . 1 580 69 78 PRO CA C 65.13 . 1 581 69 78 PRO CB C 31.70 . 1 582 70 79 ASP H H 7.138 . 1 583 70 79 ASP HA H 4.538 . 1 584 70 79 ASP HB2 H 2.994 . 2 585 70 79 ASP HB3 H 2.703 . 2 586 70 79 ASP C C 176.69 . 1 587 70 79 ASP CA C 53.10 . 1 588 70 79 ASP CB C 39.40 . 1 589 70 79 ASP N N 113.54 . 1 590 71 80 ARG H H 8.417 . 1 591 71 80 ARG HA H 3.641 . 1 592 71 80 ARG HB2 H 2.350 . 2 593 71 80 ARG HB3 H 2.040 . 2 594 71 80 ARG HG2 H 1.322 . 2 595 71 80 ARG HG3 H 1.429 . 2 596 71 80 ARG HD2 H 1.661 . 2 597 71 80 ARG HE H 3.010 . 1 598 71 80 ARG C C 176.13 . 1 599 71 80 ARG CA C 58.54 . 1 600 71 80 ARG CB C 26.53 . 1 601 71 80 ARG N N 111.52 . 1 602 72 81 SER H H 8.224 . 1 603 72 81 SER HA H 4.725 . 1 604 72 81 SER HB2 H 3.822 . 2 605 72 81 SER C C 172.22 . 1 606 72 81 SER CA C 59.36 . 1 607 72 81 SER CB C 63.97 . 1 608 72 81 SER N N 117.21 . 1 609 73 82 VAL H H 8.652 . 1 610 73 82 VAL HA H 4.897 . 1 611 73 82 VAL HB H 1.846 . 1 612 73 82 VAL HG1 H 0.876 . 2 613 73 82 VAL HG2 H 0.783 . 2 614 73 82 VAL C C 176.11 . 1 615 73 82 VAL CA C 61.03 . 1 616 73 82 VAL CB C 35.23 . 1 617 73 82 VAL N N 119.69 . 1 618 74 83 LEU H H 9.384 . 1 619 74 83 LEU HA H 5.653 . 1 620 74 83 LEU HB2 H 1.893 . 2 621 74 83 LEU HB3 H 0.950 . 2 622 74 83 LEU HG H 1.556 . 1 623 74 83 LEU HD1 H 0.655 . 2 624 74 83 LEU HD2 H 0.773 . 2 625 74 83 LEU C C 176.93 . 1 626 74 83 LEU CA C 52.90 . 1 627 74 83 LEU CB C 45.12 . 1 628 74 83 LEU N N 125.70 . 1 629 75 84 SER H H 8.779 . 1 630 75 84 SER HA H 4.643 . 1 631 75 84 SER HB2 H 3.881 . 2 632 75 84 SER HB3 H 3.820 . 2 633 75 84 SER C C 173.86 . 1 634 75 84 SER CA C 56.87 . 1 635 75 84 SER CB C 65.77 . 1 636 75 84 SER N N 113.95 . 1 637 76 85 GLY H H 8.964 . 1 638 76 85 GLY HA2 H 5.510 . 2 639 76 85 GLY HA3 H 4.300 . 2 640 76 85 GLY C C 172.91 . 1 641 76 85 GLY CA C 45.23 . 1 642 76 85 GLY N N 112.19 . 1 643 77 86 ASP H H 8.510 . 1 644 77 86 ASP HA H 4.657 . 1 645 77 86 ASP HB2 H 2.693 . 2 646 77 86 ASP HB3 H 2.882 . 2 647 77 86 ASP C C 175.28 . 1 648 77 86 ASP CA C 52.13 . 1 649 77 86 ASP CB C 44.44 . 1 650 77 86 ASP N N 117.99 . 1 651 78 87 PHE H H 9.561 . 1 652 78 87 PHE HA H 5.148 . 1 653 78 87 PHE HB2 H 3.383 . 2 654 78 87 PHE HB3 H 2.742 . 2 655 78 87 PHE HD2 H 7.373 . 3 656 78 87 PHE HE2 H 7.241 . 3 657 78 87 PHE HZ H 7.216 . 1 658 78 87 PHE C C 178.58 . 1 659 78 87 PHE CA C 58.36 . 1 660 78 87 PHE CB C 40.10 . 1 661 78 87 PHE N N 121.60 . 1 662 79 88 THR H H 9.131 . 1 663 79 88 THR HA H 3.844 . 1 664 79 88 THR HB H 4.066 . 1 665 79 88 THR HG2 H 1.031 . 1 666 79 88 THR C C 176.65 . 1 667 79 88 THR CA C 65.31 . 1 668 79 88 THR CB C 68.77 . 1 669 79 88 THR N N 121.41 . 1 670 80 89 SER H H 8.374 . 1 671 80 89 SER HA H 4.296 . 1 672 80 89 SER HB2 H 3.838 . 2 673 80 89 SER HB3 H 3.914 . 2 674 80 89 SER C C 175.28 . 1 675 80 89 SER CA C 59.64 . 1 676 80 89 SER CB C 63.09 . 1 677 80 89 SER N N 114.95 . 1 678 81 90 ALA H H 7.915 . 1 679 81 90 ALA HA H 4.212 . 1 680 81 90 ALA HB H 1.303 . 1 681 81 90 ALA C C 178.24 . 1 682 81 90 ALA CA C 53.23 . 1 683 81 90 ALA CB C 18.70 . 1 684 81 90 ALA N N 124.73 . 1 685 82 91 TYR H H 7.761 . 1 686 82 91 TYR HA H 4.391 . 1 687 82 91 TYR HB2 H 2.960 . 2 688 82 91 TYR HB3 H 2.804 . 2 689 82 91 TYR HD2 H 7.003 . 3 690 82 91 TYR HE2 H 6.687 . 3 691 82 91 TYR C C 175.84 . 1 692 82 91 TYR CA C 58.41 . 1 693 82 91 TYR CB C 38.88 . 1 694 82 91 TYR N N 118.21 . 1 695 83 92 ALA H H 7.758 . 1 696 83 92 ALA HA H 4.229 . 1 697 83 92 ALA HB H 1.280 . 1 698 83 92 ALA C C 177.31 . 1 699 83 92 ALA CA C 52.31 . 1 700 83 92 ALA CB C 19.65 . 1 701 83 92 ALA N N 124.17 . 1 702 84 93 ASP H H 8.095 . 1 703 84 93 ASP HA H 4.580 . 1 704 84 93 ASP HB2 H 2.706 . 2 705 84 93 ASP HB3 H 2.564 . 2 706 84 93 ASP C C 176.44 . 1 707 84 93 ASP CA C 54.28 . 1 708 84 93 ASP CB C 41.36 . 1 709 84 93 ASP N N 119.93 . 1 710 85 94 ASP H H 8.211 . 1 711 85 94 ASP HA H 4.599 . 1 712 85 94 ASP HB2 H 2.689 . 2 713 85 94 ASP HB3 H 2.613 . 2 714 85 94 ASP C C 176.47 . 1 715 85 94 ASP CA C 54.28 . 1 716 85 94 ASP CB C 41.34 . 1 717 85 94 ASP N N 120.68 . 1 718 86 95 ASP H H 8.284 . 1 719 86 95 ASP HA H 4.602 . 1 720 86 95 ASP HB2 H 2.719 . 2 721 86 95 ASP HB3 H 2.641 . 2 722 86 95 ASP C C 176.96 . 1 723 86 95 ASP CA C 54.54 . 1 724 86 95 ASP CB C 41.30 . 1 725 86 95 ASP N N 120.94 . 1 726 87 96 GLU H H 8.341 . 1 727 87 96 GLU HA H 4.329 . 1 728 87 96 GLU HB2 H 2.112 . 2 729 87 96 GLU HB3 H 1.957 . 2 730 87 96 GLU C C 177.11 . 1 731 87 96 GLU CA C 56.74 . 1 732 87 96 GLU CB C 30.01 . 1 733 87 96 GLU N N 121.20 . 1 734 88 97 SER H H 8.331 . 1 735 88 97 SER HA H 4.467 . 1 736 88 97 SER HB2 H 3.892 . 2 737 88 97 SER C C 174.20 . 1 738 88 97 SER CA C 58.59 . 1 739 88 97 SER CB C 63.93 . 1 740 88 97 SER N N 117.10 . 1 741 89 98 CYS H H 7.943 . 1 742 89 98 CYS HA H 4.393 . 1 743 89 98 CYS HB2 H 2.923 . 2 744 89 98 CYS C C 179.20 . 1 745 89 98 CYS CA C 59.58 . 1 746 89 98 CYS CB C 28.76 . 1 747 89 98 CYS N N 125.01 . 1 stop_ save_