data_25460 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Fungus protein B9WZW9_MAGOR ; _BMRB_accession_number 25460 _BMRB_flat_file_name bmr25460.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" 418 "13C chemical shifts" 228 "15N chemical shifts" 81 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 25459 'Fungus protein Q8J180_MAGGR' 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 B9WZW9_MAGOR' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label AVR-Pia $AVR-Pia 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_AVR-Pia _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common AVR-Pia _Molecular_mass 8885.165 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 97 _Mol_residue_sequence ; APQDNTSMGSSHHHHHHSSG RENLYFQGHMAAPARFCVYY DGHLPATRVLLMYVRIGTTA TITARGHEFEVEAKDQNCKV ILTNGKQAPDWLAAEPY ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -11 ALA 2 -10 PRO 3 -9 GLN 4 -8 ASP 5 -7 ASN 6 -6 THR 7 -5 SER 8 -4 MET 9 -3 GLY 10 -2 SER 11 -1 SER 12 0 HIS 13 1 HIS 14 2 HIS 15 3 HIS 16 4 HIS 17 5 HIS 18 6 SER 19 7 SER 20 8 GLY 21 9 ARG 22 10 GLU 23 11 ASN 24 12 LEU 25 13 TYR 26 14 PHE 27 15 GLN 28 16 GLY 29 17 HIS 30 18 MET 31 19 ALA 32 20 ALA 33 21 PRO 34 22 ALA 35 23 ARG 36 24 PHE 37 25 CYS 38 26 VAL 39 27 TYR 40 28 TYR 41 29 ASP 42 30 GLY 43 31 HIS 44 32 LEU 45 33 PRO 46 34 ALA 47 35 THR 48 36 ARG 49 37 VAL 50 38 LEU 51 39 LEU 52 40 MET 53 41 TYR 54 42 VAL 55 43 ARG 56 44 ILE 57 45 GLY 58 46 THR 59 47 THR 60 48 ALA 61 49 THR 62 50 ILE 63 51 THR 64 52 ALA 65 53 ARG 66 54 GLY 67 55 HIS 68 56 GLU 69 57 PHE 70 58 GLU 71 59 VAL 72 60 GLU 73 61 ALA 74 62 LYS 75 63 ASP 76 64 GLN 77 65 ASN 78 66 CYS 79 67 LYS 80 68 VAL 81 69 ILE 82 70 LEU 83 71 THR 84 72 ASN 85 73 GLY 86 74 LYS 87 75 GLN 88 76 ALA 89 77 PRO 90 78 ASP 91 79 TRP 92 80 LEU 93 81 ALA 94 82 ALA 95 83 GLU 96 84 PRO 97 85 TYR 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 B9WZW9_MAGOR AVR-Pia . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $AVR-Pia 'rice blast fungus' 318829 Eukaryota Fungi Magnaporthe oryzae 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 $AVR-Pia '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 $AVR-Pia 1 mM '[U-13C; U-15N]' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' 'potassium-sodium phosphate' 20 mM 'natural abundance' NaCl 150 mM 'natural abundance' stop_ save_ save_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $AVR-Pia 1 mM [U-15N] D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' 'potassium-sodium phosphate' 20 mM 'natural abundance' NaCl 150 mM 'natural abundance' stop_ save_ save_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $AVR-Pia 1 mM 'natural abundance' D2O 100 % 'natural abundance' 'potassium-sodium phosphate' 20 mM 'natural abundance' NaCl 150 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_CCPNMR _Saveframe_category software _Name CCPNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'data analysis' 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_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $13C-15N save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $13C-15N save_ save_3D_HN(COCA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $13C-15N save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $13C-15N save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $13C-15N save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $13C-15N save_ save_3D_1H-15N_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $13C-15N 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 $D2O save_ save_2D_DQF-COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $D2O save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 5.4 . 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' '3D HNCO' '3D HNCA' '3D HN(COCA)CB' '3D HN(CO)CA' '3D HNCACB' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '2D 1H-1H NOESY' '2D 1H-1H TOCSY' '2D DQF-COSY' stop_ loop_ _Sample_label $15N $13C-15N $D2O stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name AVR-Pia _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 8 20 GLY H H 8.462 . 1 2 8 20 GLY HA2 H 4.023 . 2 3 8 20 GLY HA3 H 3.982 . 2 4 8 20 GLY C C 174.65 . 1 5 8 20 GLY CA C 45.47 . 1 6 8 20 GLY N N 110.72 . 1 7 9 21 ARG H H 8.206 . 1 8 9 21 ARG HA H 4.318 . 1 9 9 21 ARG HB2 H 1.595 . 2 10 9 21 ARG HB3 H 1.721 . 2 11 9 21 ARG HG2 H 1.869 . 2 12 9 21 ARG HD2 H 3.156 . 2 13 9 21 ARG C C 176.79 . 1 14 9 21 ARG CA C 56.34 . 1 15 9 21 ARG CB C 30.53 . 1 16 9 21 ARG N N 120.43 . 1 17 10 22 GLU H H 8.562 . 1 18 10 22 GLU HA H 4.210 . 1 19 10 22 GLU HB2 H 1.937 . 2 20 10 22 GLU HB3 H 2.028 . 2 21 10 22 GLU HG2 H 2.267 . 2 22 10 22 GLU C C 176.60 . 1 23 10 22 GLU CA C 57.27 . 1 24 10 22 GLU CB C 29.78 . 1 25 10 22 GLU N N 121.22 . 1 26 11 23 ASN H H 8.337 . 1 27 11 23 ASN HA H 4.670 . 1 28 11 23 ASN HB2 H 2.710 . 2 29 11 23 ASN HB3 H 2.765 . 2 30 11 23 ASN HD21 H 7.511 . 2 31 11 23 ASN HD22 H 6.854 . 2 32 11 23 ASN C C 175.42 . 1 33 11 23 ASN CA C 53.45 . 1 34 11 23 ASN CB C 38.71 . 1 35 11 23 ASN N N 118.90 . 1 36 11 23 ASN ND2 N 112.50 . 1 37 12 24 LEU H H 7.988 . 1 38 12 24 LEU HA H 4.192 . 1 39 12 24 LEU HB2 H 1.325 . 2 40 12 24 LEU HG H 1.431 . 1 41 12 24 LEU HD1 H 0.818 . 2 42 12 24 LEU HD2 H 0.752 . 2 43 12 24 LEU C C 177.29 . 1 44 12 24 LEU CA C 55.63 . 1 45 12 24 LEU CB C 42.26 . 1 46 12 24 LEU N N 121.83 . 1 47 13 25 TYR H H 7.966 . 1 48 13 25 TYR HA H 4.498 . 1 49 13 25 TYR HB2 H 2.843 . 2 50 13 25 TYR HB3 H 2.929 . 2 51 13 25 TYR HD2 H 6.973 . 3 52 13 25 TYR HE2 H 6.747 . 3 53 13 25 TYR C C 175.95 . 1 54 13 25 TYR CA C 57.93 . 1 55 13 25 TYR CB C 38.59 . 1 56 13 25 TYR N N 119.55 . 1 57 14 26 PHE H H 8.006 . 1 58 14 26 PHE HA H 4.524 . 1 59 14 26 PHE HB2 H 2.968 . 2 60 14 26 PHE HB3 H 3.047 . 2 61 14 26 PHE HD2 H 7.194 . 3 62 14 26 PHE C C 175.82 . 1 63 14 26 PHE CA C 57.95 . 1 64 14 26 PHE CB C 39.51 . 1 65 14 26 PHE N N 121.13 . 1 66 15 27 GLN H H 8.217 . 1 67 15 27 GLN HA H 4.185 . 1 68 15 27 GLN HB2 H 1.884 . 2 69 15 27 GLN HB3 H 2.061 . 2 70 15 27 GLN HG2 H 2.240 . 2 71 15 27 GLN HE21 H 7.423 . 2 72 15 27 GLN HE22 H 6.821 . 2 73 15 27 GLN C C 176.42 . 1 74 15 27 GLN CA C 56.18 . 1 75 15 27 GLN CB C 29.11 . 1 76 15 27 GLN N N 121.84 . 1 77 15 27 GLN NE2 N 111.95 . 1 78 16 28 GLY H H 7.907 . 1 79 16 28 GLY HA2 H 3.856 . 2 80 16 28 GLY C C 174.14 . 1 81 16 28 GLY CA C 45.31 . 1 82 16 28 GLY N N 108.43 . 1 83 17 29 HIS H H 8.250 . 1 84 17 29 HIS HA H 3.877 . 1 85 17 29 HIS HB2 H 3.094 . 2 86 17 29 HIS HB3 H 3.239 . 2 87 17 29 HIS C C 174.61 . 1 88 17 29 HIS CA C 55.43 . 1 89 17 29 HIS CB C 29.28 . 1 90 17 29 HIS N N 117.99 . 1 91 18 30 MET H H 8.320 . 1 92 18 30 MET HA H 4.395 . 1 93 18 30 MET HB2 H 1.931 . 2 94 18 30 MET HB3 H 1.818 . 2 95 18 30 MET HG2 H 2.036 . 2 96 18 30 MET HG3 H 2.227 . 2 97 18 30 MET HE H 2.460 . 1 98 18 30 MET C C 175.75 . 1 99 18 30 MET CA C 55.66 . 1 100 18 30 MET CB C 32.74 . 1 101 18 30 MET N N 121.43 . 1 102 19 31 ALA H H 8.262 . 1 103 19 31 ALA HA H 4.272 . 1 104 19 31 ALA HB H 1.320 . 1 105 19 31 ALA C C 176.95 . 1 106 19 31 ALA CA C 52.26 . 1 107 19 31 ALA CB C 19.13 . 1 108 19 31 ALA N N 125.55 . 1 109 20 32 ALA H H 8.083 . 1 110 20 32 ALA HA H 4.536 . 1 111 20 32 ALA HB H 1.296 . 1 112 20 32 ALA C C 175.39 . 1 113 20 32 ALA CA C 50.10 . 1 114 20 32 ALA CB C 18.42 . 1 115 20 32 ALA N N 124.43 . 1 116 21 33 PRO HA H 4.450 . 1 117 21 33 PRO HB2 H 2.346 . 2 118 21 33 PRO HB3 H 1.911 . 2 119 21 33 PRO HG2 H 2.000 . 2 120 21 33 PRO HG3 H 2.069 . 2 121 21 33 PRO HD2 H 3.720 . 2 122 21 33 PRO HD3 H 3.636 . 2 123 21 33 PRO C C 175.77 . 1 124 21 33 PRO CA C 55.52 . 1 125 21 33 PRO CB C 32.96 . 1 126 22 34 ALA H H 8.235 . 1 127 22 34 ALA HA H 4.333 . 1 128 22 34 ALA HB H 1.381 . 1 129 22 34 ALA C C 176.92 . 1 130 22 34 ALA CA C 52.35 . 1 131 22 34 ALA CB C 19.19 . 1 132 22 34 ALA N N 124.42 . 1 133 23 35 ARG H H 9.271 . 1 134 23 35 ARG HA H 4.343 . 1 135 23 35 ARG HB2 H 1.609 . 2 136 23 35 ARG HB3 H 1.698 . 2 137 23 35 ARG HG2 H 1.416 . 2 138 23 35 ARG C C 176.22 . 1 139 23 35 ARG CA C 57.00 . 1 140 23 35 ARG CB C 33.49 . 1 141 23 35 ARG N N 120.14 . 1 142 24 36 PHE H H 9.270 . 1 143 24 36 PHE HA H 5.382 . 1 144 24 36 PHE HB2 H 3.060 . 2 145 24 36 PHE HB3 H 3.182 . 2 146 24 36 PHE HD1 H 7.198 . 3 147 24 36 PHE HE1 H 7.290 . 3 148 24 36 PHE HE2 H 7.290 . 3 149 24 36 PHE C C 175.91 . 1 150 24 36 PHE CA C 56.85 . 1 151 24 36 PHE CB C 43.56 . 1 152 24 36 PHE N N 119.13 . 1 153 25 37 CYS H H 9.254 . 1 154 25 37 CYS HA H 5.319 . 1 155 25 37 CYS HB2 H 2.243 . 2 156 25 37 CYS HB3 H 2.509 . 2 157 25 37 CYS C C 172.99 . 1 158 25 37 CYS CA C 54.20 . 1 159 25 37 CYS CB C 39.74 . 1 160 25 37 CYS N N 116.30 . 1 161 26 38 VAL H H 9.512 . 1 162 26 38 VAL HA H 4.382 . 1 163 26 38 VAL HB H 1.700 . 1 164 26 38 VAL HG1 H 0.266 . 2 165 26 38 VAL HG2 H 0.148 . 2 166 26 38 VAL C C 174.52 . 1 167 26 38 VAL CA C 60.74 . 1 168 26 38 VAL CB C 32.38 . 1 169 26 38 VAL N N 126.29 . 1 170 27 39 TYR H H 8.240 . 1 171 27 39 TYR HA H 5.144 . 1 172 27 39 TYR HB2 H 2.661 . 2 173 27 39 TYR HB3 H 2.630 . 2 174 27 39 TYR HD1 H 6.836 . 3 175 27 39 TYR HE1 H 6.402 . 3 176 27 39 TYR C C 175.40 . 1 177 27 39 TYR CA C 57.10 . 1 178 27 39 TYR CB C 40.86 . 1 179 27 39 TYR N N 123.62 . 1 180 28 40 TYR H H 9.448 . 1 181 28 40 TYR HA H 5.273 . 1 182 28 40 TYR HB2 H 2.695 . 2 183 28 40 TYR HB3 H 2.532 . 2 184 28 40 TYR HD1 H 6.545 . 3 185 28 40 TYR HE1 H 6.422 . 3 186 28 40 TYR C C 174.59 . 1 187 28 40 TYR CA C 56.90 . 1 188 28 40 TYR CB C 44.09 . 1 189 28 40 TYR N N 119.74 . 1 190 29 41 ASP H H 8.995 . 1 191 29 41 ASP HA H 5.255 . 1 192 29 41 ASP HB2 H 2.541 . 2 193 29 41 ASP HB3 H 3.028 . 2 194 29 41 ASP C C 177.67 . 1 195 29 41 ASP CA C 52.80 . 1 196 29 41 ASP CB C 41.35 . 1 197 29 41 ASP N N 118.65 . 1 198 30 42 GLY H H 9.046 . 1 199 30 42 GLY HA2 H 4.799 . 2 200 30 42 GLY HA3 H 3.746 . 2 201 30 42 GLY C C 173.32 . 1 202 30 42 GLY CA C 44.11 . 1 203 30 42 GLY N N 114.74 . 1 204 31 43 HIS H H 8.306 . 1 205 31 43 HIS HA H 4.493 . 1 206 31 43 HIS HB2 H 2.937 . 2 207 31 43 HIS HB3 H 3.324 . 2 208 31 43 HIS HD1 H 7.318 . 1 209 31 43 HIS HE1 H 8.548 . 1 210 31 43 HIS C C 175.23 . 1 211 31 43 HIS CA C 55.98 . 1 212 31 43 HIS CB C 30.63 . 1 213 31 43 HIS N N 113.88 . 1 214 32 44 LEU H H 8.477 . 1 215 32 44 LEU HA H 4.824 . 1 216 32 44 LEU HB2 H 1.730 . 2 217 32 44 LEU HB3 H 1.761 . 2 218 32 44 LEU HG H 1.594 . 1 219 32 44 LEU HD1 H 0.959 . 2 220 32 44 LEU HD2 H 0.913 . 2 221 32 44 LEU C C 176.03 . 1 222 32 44 LEU CA C 52.08 . 1 223 32 44 LEU CB C 41.54 . 1 224 32 44 LEU N N 124.06 . 1 225 33 45 PRO HA H 3.753 . 1 226 33 45 PRO HB2 H 1.788 . 2 227 33 45 PRO HB3 H 1.908 . 2 228 33 45 PRO HG2 H 2.137 . 2 229 33 45 PRO HG3 H 2.224 . 2 230 33 45 PRO HD2 H 3.809 . 2 231 33 45 PRO HD3 H 4.062 . 2 232 33 45 PRO C C 177.88 . 1 233 33 45 PRO CA C 65.50 . 1 234 33 45 PRO CB C 31.77 . 1 235 34 46 ALA H H 8.193 . 1 236 34 46 ALA HA H 4.193 . 1 237 34 46 ALA HB H 1.446 . 1 238 34 46 ALA C C 179.12 . 1 239 34 46 ALA CA C 54.61 . 1 240 34 46 ALA CB C 19.43 . 1 241 34 46 ALA N N 115.22 . 1 242 35 47 THR H H 7.187 . 1 243 35 47 THR HA H 4.597 . 1 244 35 47 THR HB H 4.405 . 1 245 35 47 THR HG2 H 1.090 . 1 246 35 47 THR C C 175.61 . 1 247 35 47 THR CA C 60.40 . 1 248 35 47 THR CB C 70.55 . 1 249 35 47 THR N N 102.12 . 1 250 36 48 ARG H H 7.918 . 1 251 36 48 ARG HA H 4.763 . 1 252 36 48 ARG HB2 H 1.506 . 2 253 36 48 ARG HB3 H 1.405 . 2 254 36 48 ARG HG2 H 1.722 . 2 255 36 48 ARG HG3 H 1.819 . 2 256 36 48 ARG HD2 H 3.752 . 2 257 36 48 ARG HE H 6.677 . 1 258 36 48 ARG C C 175.22 . 1 259 36 48 ARG CA C 56.09 . 1 260 36 48 ARG CB C 29.88 . 1 261 36 48 ARG N N 122.52 . 1 262 37 49 VAL H H 8.603 . 1 263 37 49 VAL HA H 4.341 . 1 264 37 49 VAL HB H 2.108 . 1 265 37 49 VAL HG1 H 1.005 . 2 266 37 49 VAL HG2 H 1.069 . 2 267 37 49 VAL C C 175.69 . 1 268 37 49 VAL CA C 61.33 . 1 269 37 49 VAL CB C 35.05 . 1 270 37 49 VAL N N 122.11 . 1 271 38 50 LEU H H 8.708 . 1 272 38 50 LEU HA H 3.769 . 1 273 38 50 LEU HB2 H 1.633 . 2 274 38 50 LEU HB3 H 1.520 . 2 275 38 50 LEU HG H 0.909 . 1 276 38 50 LEU HD1 H 0.469 . 2 277 38 50 LEU HD2 H 0.598 . 2 278 38 50 LEU C C 176.51 . 1 279 38 50 LEU CA C 57.37 . 1 280 38 50 LEU CB C 41.82 . 1 281 38 50 LEU N N 130.47 . 1 282 39 51 LEU H H 9.254 . 1 283 39 51 LEU HA H 4.627 . 1 284 39 51 LEU HB2 H 1.427 . 2 285 39 51 LEU HB3 H 1.563 . 2 286 39 51 LEU HG H 1.874 . 1 287 39 51 LEU HD1 H 0.858 . 2 288 39 51 LEU HD2 H 1.025 . 2 289 39 51 LEU C C 176.80 . 1 290 39 51 LEU CA C 55.73 . 1 291 39 51 LEU CB C 42.33 . 1 292 39 51 LEU N N 126.44 . 1 293 40 52 MET H H 7.054 . 1 294 40 52 MET HA H 4.471 . 1 295 40 52 MET HB2 H 2.104 . 2 296 40 52 MET HB3 H 1.726 . 2 297 40 52 MET HG2 H 2.510 . 2 298 40 52 MET HE H 2.171 . 1 299 40 52 MET C C 173.75 . 1 300 40 52 MET CA C 56.04 . 1 301 40 52 MET CB C 36.88 . 1 302 40 52 MET N N 114.55 . 1 303 41 53 TYR H H 8.563 . 1 304 41 53 TYR HA H 4.813 . 1 305 41 53 TYR HB2 H 2.216 . 2 306 41 53 TYR HB3 H 2.803 . 2 307 41 53 TYR HD2 H 6.509 . 3 308 41 53 TYR HE2 H 6.080 . 3 309 41 53 TYR C C 175.68 . 1 310 41 53 TYR CA C 57.94 . 1 311 41 53 TYR CB C 39.46 . 1 312 41 53 TYR N N 123.27 . 1 313 42 54 VAL H H 9.442 . 1 314 42 54 VAL HA H 4.409 . 1 315 42 54 VAL HB H 2.210 . 1 316 42 54 VAL HG1 H 0.816 . 2 317 42 54 VAL HG2 H 0.651 . 2 318 42 54 VAL C C 175.60 . 1 319 42 54 VAL CA C 61.48 . 1 320 42 54 VAL CB C 35.31 . 1 321 42 54 VAL N N 123.93 . 1 322 43 55 ARG H H 8.940 . 1 323 43 55 ARG HA H 3.924 . 1 324 43 55 ARG HB2 H 1.688 . 2 325 43 55 ARG HG2 H 1.494 . 2 326 43 55 ARG HD2 H 2.910 . 2 327 43 55 ARG HE H 7.199 . 1 328 43 55 ARG C C 177.01 . 1 329 43 55 ARG CA C 56.76 . 1 330 43 55 ARG CB C 29.98 . 1 331 43 55 ARG N N 129.29 . 1 332 44 56 ILE H H 8.345 . 1 333 44 56 ILE HA H 3.686 . 1 334 44 56 ILE HB H 1.295 . 1 335 44 56 ILE HG12 H 1.310 . 2 336 44 56 ILE HG13 H 0.788 . 2 337 44 56 ILE HG2 H 0.618 . 1 338 44 56 ILE HD1 H 0.467 . 1 339 44 56 ILE C C 177.02 . 1 340 44 56 ILE CA C 64.93 . 1 341 44 56 ILE CB C 37.24 . 1 342 44 56 ILE N N 128.26 . 1 343 45 57 GLY H H 9.423 . 1 344 45 57 GLY HA2 H 4.408 . 2 345 45 57 GLY HA3 H 3.851 . 2 346 45 57 GLY C C 174.86 . 1 347 45 57 GLY CA C 44.24 . 1 348 45 57 GLY N N 115.53 . 1 349 46 58 THR H H 7.925 . 1 350 46 58 THR HA H 4.974 . 1 351 46 58 THR HB H 4.405 . 1 352 46 58 THR HG2 H 1.085 . 1 353 46 58 THR C C 172.31 . 1 354 46 58 THR CA C 60.28 . 1 355 46 58 THR CB C 72.16 . 1 356 46 58 THR N N 111.41 . 1 357 47 59 THR H H 7.784 . 1 358 47 59 THR HA H 5.383 . 1 359 47 59 THR HB H 4.023 . 1 360 47 59 THR HG2 H 1.056 . 1 361 47 59 THR C C 174.56 . 1 362 47 59 THR CA C 59.24 . 1 363 47 59 THR CB C 71.84 . 1 364 47 59 THR N N 109.43 . 1 365 48 60 ALA H H 8.681 . 1 366 48 60 ALA HA H 4.658 . 1 367 48 60 ALA HB H 1.291 . 1 368 48 60 ALA C C 175.62 . 1 369 48 60 ALA CA C 51.60 . 1 370 48 60 ALA CB C 24.41 . 1 371 48 60 ALA N N 122.63 . 1 372 49 61 THR H H 8.347 . 1 373 49 61 THR HA H 4.914 . 1 374 49 61 THR HB H 3.908 . 1 375 49 61 THR HG2 H 1.001 . 1 376 49 61 THR C C 174.40 . 1 377 49 61 THR CA C 62.32 . 1 378 49 61 THR CB C 69.26 . 1 379 49 61 THR N N 116.02 . 1 380 50 62 ILE H H 9.199 . 1 381 50 62 ILE HA H 4.436 . 1 382 50 62 ILE HB H 1.753 . 1 383 50 62 ILE HG12 H 1.339 . 2 384 50 62 ILE HG13 H 1.013 . 2 385 50 62 ILE HG2 H 0.713 . 1 386 50 62 ILE HD1 H 0.364 . 1 387 50 62 ILE C C 175.08 . 1 388 50 62 ILE CA C 59.51 . 1 389 50 62 ILE CB C 40.67 . 1 390 50 62 ILE N N 126.05 . 1 391 51 63 THR H H 8.500 . 1 392 51 63 THR HA H 5.312 . 1 393 51 63 THR HB H 3.967 . 1 394 51 63 THR HG2 H 1.052 . 1 395 51 63 THR C C 174.25 . 1 396 51 63 THR CA C 61.03 . 1 397 51 63 THR CB C 69.85 . 1 398 51 63 THR N N 120.63 . 1 399 52 64 ALA H H 9.202 . 1 400 52 64 ALA HA H 4.711 . 1 401 52 64 ALA HB H 1.653 . 1 402 52 64 ALA C C 176.53 . 1 403 52 64 ALA CA C 51.98 . 1 404 52 64 ALA CB C 22.72 . 1 405 52 64 ALA N N 127.71 . 1 406 53 65 ARG H H 9.303 . 1 407 53 65 ARG HA H 3.856 . 1 408 53 65 ARG HB2 H 1.716 . 2 409 53 65 ARG HB3 H 2.040 . 2 410 53 65 ARG HG2 H 0.809 . 2 411 53 65 ARG HG3 H 1.132 . 2 412 53 65 ARG HD2 H 2.546 . 2 413 53 65 ARG HD3 H 1.798 . 2 414 53 65 ARG HE H 6.982 . 1 415 53 65 ARG C C 177.07 . 1 416 53 65 ARG CA C 57.03 . 1 417 53 65 ARG CB C 27.04 . 1 418 53 65 ARG N N 118.78 . 1 419 54 66 GLY H H 8.714 . 1 420 54 66 GLY HA2 H 3.974 . 2 421 54 66 GLY HA3 H 3.543 . 2 422 54 66 GLY C C 174.11 . 1 423 54 66 GLY CA C 45.36 . 1 424 54 66 GLY N N 104.07 . 1 425 55 67 HIS H H 8.227 . 1 426 55 67 HIS HA H 4.776 . 1 427 55 67 HIS HB2 H 2.875 . 2 428 55 67 HIS HB3 H 3.100 . 2 429 55 67 HIS HD1 H 7.119 . 1 430 55 67 HIS HE1 H 8.519 . 1 431 55 67 HIS C C 172.31 . 1 432 55 67 HIS CA C 54.03 . 1 433 55 67 HIS CB C 32.10 . 1 434 55 67 HIS N N 119.17 . 1 435 56 68 GLU H H 8.024 . 1 436 56 68 GLU HA H 5.087 . 1 437 56 68 GLU HB2 H 1.744 . 2 438 56 68 GLU HB3 H 1.650 . 2 439 56 68 GLU HG2 H 2.107 . 2 440 56 68 GLU HG3 H 2.047 . 2 441 56 68 GLU C C 176.15 . 1 442 56 68 GLU CA C 55.09 . 1 443 56 68 GLU CB C 31.78 . 1 444 56 68 GLU N N 119.64 . 1 445 57 69 PHE H H 9.219 . 1 446 57 69 PHE HA H 4.774 . 1 447 57 69 PHE HB2 H 2.718 . 2 448 57 69 PHE HB3 H 2.627 . 2 449 57 69 PHE HD2 H 7.126 . 3 450 57 69 PHE HE1 H 7.464 . 3 451 57 69 PHE HE2 H 7.464 . 3 452 57 69 PHE HZ H 7.298 . 1 453 57 69 PHE C C 173.93 . 1 454 57 69 PHE CA C 56.47 . 1 455 57 69 PHE CB C 41.45 . 1 456 57 69 PHE N N 121.66 . 1 457 58 70 GLU H H 8.597 . 1 458 58 70 GLU HA H 5.224 . 1 459 58 70 GLU HB2 H 2.199 . 2 460 58 70 GLU HB3 H 1.741 . 2 461 58 70 GLU HG2 H 2.021 . 2 462 58 70 GLU C C 175.82 . 1 463 58 70 GLU CA C 55.46 . 1 464 58 70 GLU CB C 29.95 . 1 465 58 70 GLU N N 125.63 . 1 466 59 71 VAL H H 8.809 . 1 467 59 71 VAL HA H 5.415 . 1 468 59 71 VAL HB H 2.005 . 1 469 59 71 VAL HG1 H 0.534 . 2 470 59 71 VAL HG2 H 0.268 . 2 471 59 71 VAL C C 174.79 . 1 472 59 71 VAL CA C 58.55 . 1 473 59 71 VAL CB C 34.15 . 1 474 59 71 VAL N N 120.69 . 1 475 60 72 GLU H H 8.024 . 1 476 60 72 GLU HA H 4.617 . 1 477 60 72 GLU HB2 H 1.823 . 2 478 60 72 GLU HB3 H 1.616 . 2 479 60 72 GLU HG2 H 1.979 . 2 480 60 72 GLU C C 176.05 . 1 481 60 72 GLU CA C 54.18 . 1 482 60 72 GLU CB C 32.05 . 1 483 60 72 GLU N N 118.57 . 1 484 61 73 ALA H H 8.230 . 1 485 61 73 ALA HA H 4.699 . 1 486 61 73 ALA HB H 1.372 . 1 487 61 73 ALA C C 176.26 . 1 488 61 73 ALA CA C 50.52 . 1 489 61 73 ALA CB C 17.71 . 1 490 61 73 ALA N N 132.63 . 1 491 62 74 LYS H H 9.070 . 1 492 62 74 LYS HA H 3.998 . 1 493 62 74 LYS HB2 H 1.617 . 2 494 62 74 LYS HB3 H 1.741 . 2 495 62 74 LYS HG2 H 1.282 . 2 496 62 74 LYS HG3 H 1.405 . 2 497 62 74 LYS HD2 H 1.600 . 2 498 62 74 LYS HE2 H 2.935 . 2 499 62 74 LYS HE3 H 2.907 . 2 500 62 74 LYS C C 177.03 . 1 501 62 74 LYS CA C 59.59 . 1 502 62 74 LYS CB C 34.54 . 1 503 62 74 LYS N N 126.08 . 1 504 63 75 ASP H H 7.507 . 1 505 63 75 ASP HA H 4.386 . 1 506 63 75 ASP HB2 H 2.956 . 2 507 63 75 ASP HB3 H 3.009 . 2 508 63 75 ASP C C 175.81 . 1 509 63 75 ASP CA C 53.15 . 1 510 63 75 ASP CB C 41.25 . 1 511 63 75 ASP N N 110.55 . 1 512 64 76 GLN H H 8.410 . 1 513 64 76 GLN HA H 4.100 . 1 514 64 76 GLN HB2 H 2.162 . 2 515 64 76 GLN HB3 H 2.093 . 2 516 64 76 GLN HG2 H 2.337 . 2 517 64 76 GLN HG3 H 2.312 . 2 518 64 76 GLN HE21 H 7.553 . 2 519 64 76 GLN HE22 H 6.957 . 2 520 64 76 GLN C C 175.95 . 1 521 64 76 GLN CA C 57.69 . 1 522 64 76 GLN CB C 27.84 . 1 523 64 76 GLN N N 112.74 . 1 524 64 76 GLN NE2 N 112.49 . 1 525 65 77 ASN H H 8.747 . 1 526 65 77 ASN HA H 4.579 . 1 527 65 77 ASN HB2 H 3.001 . 2 528 65 77 ASN HB3 H 2.638 . 2 529 65 77 ASN HD21 H 7.613 . 2 530 65 77 ASN HD22 H 7.060 . 2 531 65 77 ASN C C 177.25 . 1 532 65 77 ASN CA C 55.12 . 1 533 65 77 ASN CB C 37.91 . 1 534 65 77 ASN N N 117.79 . 1 535 65 77 ASN ND2 N 115.26 . 1 536 66 78 CYS H H 8.527 . 1 537 66 78 CYS HA H 4.425 . 1 538 66 78 CYS HB2 H 2.782 . 2 539 66 78 CYS HB3 H 2.264 . 2 540 66 78 CYS C C 174.97 . 1 541 66 78 CYS CA C 55.13 . 1 542 66 78 CYS CB C 36.16 . 1 543 66 78 CYS N N 112.64 . 1 544 67 79 LYS H H 8.014 . 1 545 67 79 LYS HA H 4.177 . 1 546 67 79 LYS HB2 H 1.706 . 2 547 67 79 LYS HB3 H 1.661 . 2 548 67 79 LYS HG2 H 1.283 . 2 549 67 79 LYS HG3 H 1.377 . 2 550 67 79 LYS HD2 H 1.516 . 2 551 67 79 LYS HE2 H 3.000 . 2 552 67 79 LYS C C 178.48 . 1 553 67 79 LYS CA C 56.86 . 1 554 67 79 LYS CB C 32.12 . 1 555 67 79 LYS N N 116.24 . 1 556 68 80 VAL H H 8.967 . 1 557 68 80 VAL HA H 3.675 . 1 558 68 80 VAL HB H 2.049 . 1 559 68 80 VAL HG1 H 0.935 . 2 560 68 80 VAL HG2 H 0.667 . 2 561 68 80 VAL C C 174.46 . 1 562 68 80 VAL CA C 64.75 . 1 563 68 80 VAL CB C 30.16 . 1 564 68 80 VAL N N 126.98 . 1 565 69 81 ILE H H 8.689 . 1 566 69 81 ILE HA H 4.179 . 1 567 69 81 ILE HB H 2.042 . 1 568 69 81 ILE HG12 H 1.355 . 2 569 69 81 ILE HG13 H 0.930 . 2 570 69 81 ILE HG2 H 0.852 . 1 571 69 81 ILE HD1 H 0.884 . 1 572 69 81 ILE C C 175.06 . 1 573 69 81 ILE CA C 60.56 . 1 574 69 81 ILE CB C 41.49 . 1 575 69 81 ILE N N 132.54 . 1 576 70 82 LEU H H 8.829 . 1 577 70 82 LEU HA H 5.298 . 1 578 70 82 LEU HB2 H 1.756 . 2 579 70 82 LEU HB3 H 2.043 . 2 580 70 82 LEU HG H 1.629 . 1 581 70 82 LEU HD1 H 0.790 . 2 582 70 82 LEU HD2 H 0.856 . 2 583 70 82 LEU C C 180.80 . 1 584 70 82 LEU CA C 53.19 . 1 585 70 82 LEU CB C 41.15 . 1 586 70 82 LEU N N 125.29 . 1 587 71 83 THR H H 8.546 . 1 588 71 83 THR HA H 4.094 . 1 589 71 83 THR HB H 4.297 . 1 590 71 83 THR HG2 H 1.120 . 1 591 71 83 THR C C 176.24 . 1 592 71 83 THR CA C 63.95 . 1 593 71 83 THR CB C 68.28 . 1 594 71 83 THR N N 115.51 . 1 595 72 84 ASN H H 8.162 . 1 596 72 84 ASN HA H 4.564 . 1 597 72 84 ASN HB2 H 3.189 . 2 598 72 84 ASN HB3 H 2.920 . 2 599 72 84 ASN HD21 H 7.297 . 2 600 72 84 ASN HD22 H 6.657 . 2 601 72 84 ASN C C 177.34 . 1 602 72 84 ASN CA C 52.71 . 1 603 72 84 ASN CB C 37.22 . 1 604 72 84 ASN N N 117.01 . 1 605 72 84 ASN ND2 N 107.01 . 1 606 73 85 GLY H H 7.985 . 1 607 73 85 GLY HA2 H 4.096 . 2 608 73 85 GLY HA3 H 3.865 . 2 609 73 85 GLY C C 175.02 . 1 610 73 85 GLY CA C 45.70 . 1 611 73 85 GLY N N 106.66 . 1 612 74 86 LYS H H 7.820 . 1 613 74 86 LYS HA H 4.298 . 1 614 74 86 LYS HB2 H 1.837 . 2 615 74 86 LYS HG2 H 1.303 . 2 616 74 86 LYS HD2 H 1.662 . 2 617 74 86 LYS HE2 H 2.980 . 2 618 74 86 LYS HE3 H 2.997 . 2 619 74 86 LYS C C 175.72 . 1 620 74 86 LYS CA C 55.73 . 1 621 74 86 LYS CB C 32.49 . 1 622 74 86 LYS N N 120.73 . 1 623 75 87 GLN H H 8.273 . 1 624 75 87 GLN HA H 4.156 . 1 625 75 87 GLN HB2 H 1.938 . 2 626 75 87 GLN HB3 H 1.977 . 2 627 75 87 GLN HG2 H 2.417 . 2 628 75 87 GLN HE21 H 7.636 . 2 629 75 87 GLN HE22 H 6.852 . 2 630 75 87 GLN C C 176.49 . 1 631 75 87 GLN CA C 55.58 . 1 632 75 87 GLN CB C 29.02 . 1 633 75 87 GLN N N 119.59 . 1 634 75 87 GLN NE2 N 113.12 . 1 635 76 88 ALA H H 8.698 . 1 636 76 88 ALA HA H 4.166 . 1 637 76 88 ALA HB H 1.110 . 1 638 76 88 ALA C C 174.92 . 1 639 76 88 ALA CA C 50.08 . 1 640 76 88 ALA CB C 17.88 . 1 641 76 88 ALA N N 129.34 . 1 642 77 89 PRO HA H 4.237 . 1 643 77 89 PRO HB2 H 1.789 . 2 644 77 89 PRO HB3 H 0.054 . 2 645 77 89 PRO HG2 H 0.745 . 2 646 77 89 PRO HG3 H 1.491 . 2 647 77 89 PRO HD2 H 3.476 . 2 648 77 89 PRO HD3 H 2.562 . 2 649 77 89 PRO C C 178.17 . 1 650 77 89 PRO CA C 62.17 . 1 651 77 89 PRO CB C 31.47 . 1 652 78 90 ASP H H 8.607 . 1 653 78 90 ASP HA H 4.217 . 1 654 78 90 ASP HB2 H 2.745 . 2 655 78 90 ASP HB3 H 2.798 . 2 656 78 90 ASP C C 176.61 . 1 657 78 90 ASP CA C 56.50 . 1 658 78 90 ASP CB C 40.53 . 1 659 78 90 ASP N N 121.04 . 1 660 79 91 TRP H H 6.768 . 1 661 79 91 TRP HA H 4.492 . 1 662 79 91 TRP HB2 H 3.708 . 2 663 79 91 TRP HB3 H 3.124 . 2 664 79 91 TRP HD1 H 7.375 . 1 665 79 91 TRP HE1 H 10.35 . 1 666 79 91 TRP HE3 H 7.287 . 1 667 79 91 TRP HZ2 H 6.622 . 1 668 79 91 TRP HZ3 H 7.450 . 1 669 79 91 TRP HH2 H 6.948 . 1 670 79 91 TRP C C 175.28 . 1 671 79 91 TRP CA C 54.63 . 1 672 79 91 TRP CB C 29.14 . 1 673 79 91 TRP N N 114.44 . 1 674 79 91 TRP NE1 N 131.34 . 1 675 80 92 LEU H H 6.577 . 1 676 80 92 LEU HA H 4.761 . 1 677 80 92 LEU HB2 H 1.272 . 2 678 80 92 LEU HB3 H 0.240 . 2 679 80 92 LEU HG H 1.167 . 1 680 80 92 LEU HD1 H 0.588 . 2 681 80 92 LEU HD2 H 0.300 . 2 682 80 92 LEU C C 174.27 . 1 683 80 92 LEU CA C 54.85 . 1 684 80 92 LEU CB C 41.89 . 1 685 80 92 LEU N N 123.45 . 1 686 81 93 ALA H H 9.037 . 1 687 81 93 ALA HA H 4.667 . 1 688 81 93 ALA HB H 0.943 . 1 689 81 93 ALA C C 175.21 . 1 690 81 93 ALA CA C 50.31 . 1 691 81 93 ALA CB C 23.27 . 1 692 81 93 ALA N N 130.91 . 1 693 82 94 ALA H H 8.159 . 1 694 82 94 ALA HA H 5.677 . 1 695 82 94 ALA HB H 0.655 . 1 696 82 94 ALA C C 177.28 . 1 697 82 94 ALA CA C 51.01 . 1 698 82 94 ALA CB C 22.24 . 1 699 82 94 ALA N N 119.12 . 1 700 83 95 GLU H H 8.614 . 1 701 83 95 GLU HA H 4.938 . 1 702 83 95 GLU HB2 H 2.211 . 2 703 83 95 GLU HB3 H 2.015 . 2 704 83 95 GLU HG2 H 2.369 . 2 705 83 95 GLU C C 172.56 . 1 706 83 95 GLU CA C 53.01 . 1 707 83 95 GLU CB C 32.47 . 1 708 83 95 GLU N N 116.91 . 1 709 84 96 PRO HA H 5.513 . 1 710 84 96 PRO HB2 H 2.427 . 2 711 84 96 PRO HB3 H 1.922 . 2 712 84 96 PRO HG2 H 2.115 . 2 713 84 96 PRO HD2 H 3.535 . 2 714 84 96 PRO HD3 H 3.786 . 2 715 84 96 PRO C C 177.34 . 1 716 84 96 PRO CA C 62.93 . 1 717 84 96 PRO CB C 32.42 . 1 718 85 97 TYR H H 8.881 . 1 719 85 97 TYR HA H 4.447 . 1 720 85 97 TYR HB2 H 2.750 . 2 721 85 97 TYR HB3 H 3.033 . 2 722 85 97 TYR HD2 H 7.250 . 3 723 85 97 TYR HE2 H 6.772 . 3 724 85 97 TYR C C 179.53 . 1 725 85 97 TYR CA C 61.39 . 1 726 85 97 TYR CB C 43.01 . 1 727 85 97 TYR N N 127.44 . 1 stop_ save_