data_18607 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of an avirulence protein AvrPzi-t from pathogen Magnaportheoryzae ; _BMRB_accession_number 18607 _BMRB_flat_file_name bmr18607.str _Entry_type original _Submission_date 2012-07-23 _Accession_date 2012-07-23 _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 Zhang Zhi-min . . 2 Zhang Xu . . 3 Zhou Ziren . . 4 Hu Hong-yu . . 5 Liu Miali . . 6 Zhou Bo . . 7 Zhou Jiahai . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 419 "13C chemical shifts" 302 "15N chemical shifts" 85 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-14 original author . stop_ _Original_release_date 2013-02-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the Magnaporthe oryzae avirulence protein AvrPiz-t.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23334361 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Zhi-Min . . 2 Zhang Xu . . 3 Zhou Zi-Ren . . 4 Hu Hong-Yu . . 5 Liu Maili . . 6 Zhou Bo . . 7 Zhou Jiahai . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of biomolecular NMR' _Journal_volume 55 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 219 _Page_last 223 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Avrpiz-t _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Avrpiz-t $Avrpiz-t 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_Avrpiz-t _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Avrpiz-t _Molecular_mass 8751.062 _Mol_thiol_state 'free and disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 80 _Mol_residue_sequence ; SFVQCNHHLLYNGRHWGTIR KKAGWAVRFYEEKPGQPKRL VAICKNASPVHCNYLKCTNL AAGFSAGTSTDVLSSGTVGS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 19 SER 2 20 PHE 3 21 VAL 4 22 GLN 5 23 CYS 6 24 ASN 7 25 HIS 8 26 HIS 9 27 LEU 10 28 LEU 11 29 TYR 12 30 ASN 13 31 GLY 14 32 ARG 15 33 HIS 16 34 TRP 17 35 GLY 18 36 THR 19 37 ILE 20 38 ARG 21 39 LYS 22 40 LYS 23 41 ALA 24 42 GLY 25 43 TRP 26 44 ALA 27 45 VAL 28 46 ARG 29 47 PHE 30 48 TYR 31 49 GLU 32 50 GLU 33 51 LYS 34 52 PRO 35 53 GLY 36 54 GLN 37 55 PRO 38 56 LYS 39 57 ARG 40 58 LEU 41 59 VAL 42 60 ALA 43 61 ILE 44 62 CYS 45 63 LYS 46 64 ASN 47 65 ALA 48 66 SER 49 67 PRO 50 68 VAL 51 69 HIS 52 70 CYS 53 71 ASN 54 72 TYR 55 73 LEU 56 74 LYS 57 75 CYS 58 76 THR 59 77 ASN 60 78 LEU 61 79 ALA 62 80 ALA 63 81 GLY 64 82 PHE 65 83 SER 66 84 ALA 67 85 GLY 68 86 THR 69 87 SER 70 88 THR 71 89 ASP 72 90 VAL 73 91 LEU 74 92 SER 75 93 SER 76 94 GLY 77 95 THR 78 96 VAL 79 97 GLY 80 98 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-04 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 2LW6 "Solution Structure Of An Avirulence Protein Avrpiz-t From Pathogen Magnaportheoryzae" 100.00 80 100.00 100.00 3.98e-52 EMBL CCC41985 "AvrPiz-t [Magnaporthe oryzae]" 100.00 108 100.00 100.00 1.82e-52 EMBL CCD21890 "AvrPiz-t protein [Magnaporthe oryzae]" 100.00 108 100.00 100.00 1.82e-52 EMBL CCD21891 "AvrPiz-t protein [Magnaporthe oryzae]" 100.00 108 100.00 100.00 1.82e-52 EMBL CCD21894 "AvrPiz-t protein [Magnaporthe oryzae]" 100.00 108 100.00 100.00 1.82e-52 EMBL CCD21896 "AvrPiz-t protein [Magnaporthe oryzae]" 100.00 108 100.00 100.00 1.82e-52 GB ACF39937 "AvrPiz-t [Magnaporthe grisea]" 100.00 108 100.00 100.00 1.82e-52 GB AEX97148 "AvrPiz-t protein [Magnaporthe oryzae]" 100.00 108 100.00 100.00 1.82e-52 GB EAQ70816 "hypothetical protein MGCH7_ch7g223 [Magnaporthe oryzae 70-15]" 100.00 108 100.00 100.00 1.82e-52 GB EHA46544 "hypothetical protein MGG_18041 [Magnaporthe oryzae 70-15]" 100.00 108 100.00 100.00 1.82e-52 GB ELQ40553 "hypothetical protein OOU_Y34scaffold00420g8 [Magnaporthe oryzae Y34]" 100.00 108 100.00 100.00 1.82e-52 REF XP_003721287 "hypothetical protein MGG_18041 [Magnaporthe oryzae 70-15]" 100.00 108 100.00 100.00 1.82e-52 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Avrpiz-t ascomycetes 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 $Avrpiz-t 'recombinant technology' . Escherichia coli . ppSUMO stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Avrpiz-t 0.3 mM '[U-100% 13C; U-100% 15N]' D2O 90 % 'natural abundance' H2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Avrpiz-t 0.3 mM '[U-100% 15N]' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . Goddard . . 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'chemical shift assignment' processing 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HNCACB_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '20 mM NaH2PO4, 50 mM NaCl' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 293 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH temperature 293 . 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 '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HCCH-TOCSY' '3D 1H-15N TOCSY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Avrpiz-t _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 19 1 SER HA H 4.465 . 1 2 19 1 SER HB2 H 3.854 . 2 3 19 1 SER HB3 H 3.783 . 2 4 19 1 SER CA C 58.233 . 1 5 19 1 SER CB C 63.843 . 1 6 20 2 PHE H H 8.147 . 1 7 20 2 PHE HA H 4.755 . 1 8 20 2 PHE HB2 H 3.117 . 2 9 20 2 PHE HB3 H 2.943 . 2 10 20 2 PHE HD1 H 7.152 . 3 11 20 2 PHE HD2 H 7.126 . 3 12 20 2 PHE HE1 H 7.146 . 3 13 20 2 PHE C C 173.486 . 1 14 20 2 PHE CA C 56.644 . 1 15 20 2 PHE CB C 39.813 . 1 16 20 2 PHE N N 121.672 . 1 17 21 3 VAL H H 8.522 . 1 18 21 3 VAL HA H 4.057 . 1 19 21 3 VAL HB H 1.868 . 1 20 21 3 VAL HG1 H 0.932 . 2 21 21 3 VAL HG2 H 0.758 . 2 22 21 3 VAL C C 174.573 . 1 23 21 3 VAL CA C 62.356 . 1 24 21 3 VAL CB C 33.184 . 1 25 21 3 VAL CG1 C 21.158 . 2 26 21 3 VAL CG2 C 21.334 . 2 27 21 3 VAL N N 124.948 . 1 28 22 4 GLN H H 8.597 . 1 29 22 4 GLN HA H 4.717 . 1 30 22 4 GLN HB2 H 1.682 . 2 31 22 4 GLN HB3 H 1.655 . 2 32 22 4 GLN HG2 H 2.163 . 2 33 22 4 GLN HG3 H 1.776 . 2 34 22 4 GLN HE21 H 7.461 . 2 35 22 4 GLN HE22 H 6.879 . 2 36 22 4 GLN C C 175.154 . 1 37 22 4 GLN CA C 54.140 . 1 38 22 4 GLN CB C 32.769 . 1 39 22 4 GLN CG C 34.615 . 1 40 22 4 GLN N N 124.238 . 1 41 22 4 GLN NE2 N 111.527 . 1 42 23 5 CYS H H 8.192 . 1 43 23 5 CYS HA H 5.245 . 1 44 23 5 CYS HB2 H 2.752 . 2 45 23 5 CYS HB3 H 1.441 . 2 46 23 5 CYS C C 173.683 . 1 47 23 5 CYS CA C 52.267 . 1 48 23 5 CYS CB C 41.113 . 1 49 23 5 CYS N N 114.861 . 1 50 24 6 ASN H H 9.576 . 1 51 24 6 ASN HA H 4.635 . 1 52 24 6 ASN HB2 H 2.852 . 2 53 24 6 ASN HB3 H 1.819 . 2 54 24 6 ASN HD21 H 7.154 . 2 55 24 6 ASN HD22 H 6.835 . 2 56 24 6 ASN C C 174.420 . 1 57 24 6 ASN CA C 52.983 . 1 58 24 6 ASN CB C 38.920 . 1 59 24 6 ASN N N 122.166 . 1 60 24 6 ASN ND2 N 114.453 . 1 61 25 7 HIS H H 8.636 . 1 62 25 7 HIS HA H 4.564 . 1 63 25 7 HIS HB2 H 3.537 . 2 64 25 7 HIS HB3 H 2.865 . 2 65 25 7 HIS HD1 H 10.757 . 1 66 25 7 HIS HD2 H 6.498 . 1 67 25 7 HIS HE1 H 6.518 . 1 68 25 7 HIS C C 172.514 . 1 69 25 7 HIS CA C 55.696 . 1 70 25 7 HIS CB C 28.845 . 1 71 25 7 HIS N N 121.949 . 1 72 25 7 HIS ND1 N 126.775 . 1 73 26 8 HIS H H 8.397 . 1 74 26 8 HIS HA H 5.728 . 1 75 26 8 HIS HB2 H 3.517 . 2 76 26 8 HIS HB3 H 3.180 . 2 77 26 8 HIS HD1 H 7.324 . 1 78 26 8 HIS HD2 H 7.329 . 1 79 26 8 HIS HE1 H 7.343 . 1 80 26 8 HIS C C 173.647 . 1 81 26 8 HIS CA C 55.893 . 1 82 26 8 HIS CB C 32.183 . 1 83 26 8 HIS N N 124.140 . 1 84 27 9 LEU H H 9.018 . 1 85 27 9 LEU HA H 4.538 . 1 86 27 9 LEU HB2 H 1.244 . 2 87 27 9 LEU HB3 H -0.128 . 2 88 27 9 LEU HG H 1.665 . 1 89 27 9 LEU HD1 H 0.379 . 2 90 27 9 LEU HD2 H -0.068 . 2 91 27 9 LEU C C 172.471 . 1 92 27 9 LEU CA C 52.924 . 1 93 27 9 LEU CB C 45.696 . 1 94 27 9 LEU CG C 25.993 . 1 95 27 9 LEU CD1 C 23.028 . 2 96 27 9 LEU CD2 C 27.804 . 2 97 27 9 LEU N N 123.508 . 1 98 28 10 LEU H H 8.839 . 1 99 28 10 LEU HA H 4.990 . 1 100 28 10 LEU HB2 H 1.889 . 2 101 28 10 LEU HB3 H 0.747 . 2 102 28 10 LEU HG H 1.361 . 1 103 28 10 LEU HD1 H 0.687 . 2 104 28 10 LEU HD2 H 0.655 . 2 105 28 10 LEU C C 175.126 . 1 106 28 10 LEU CA C 53.421 . 1 107 28 10 LEU CB C 43.196 . 1 108 28 10 LEU CG C 26.909 . 1 109 28 10 LEU CD1 C 25.493 . 2 110 28 10 LEU CD2 C 21.707 . 2 111 28 10 LEU N N 125.352 . 1 112 29 11 TYR H H 9.099 . 1 113 29 11 TYR HA H 4.406 . 1 114 29 11 TYR HB2 H 2.623 . 2 115 29 11 TYR HB3 H 2.076 . 2 116 29 11 TYR HD1 H 5.568 . 3 117 29 11 TYR HE1 H 6.597 . 3 118 29 11 TYR HE2 H 6.597 . . 119 29 11 TYR C C 175.745 . 1 120 29 11 TYR CA C 56.658 . 1 121 29 11 TYR CB C 41.978 . 1 122 29 11 TYR N N 118.250 . 1 123 30 12 ASN H H 8.714 . 1 124 30 12 ASN HA H 3.947 . 1 125 30 12 ASN HB2 H 2.801 . 2 126 30 12 ASN HB3 H 2.141 . 2 127 30 12 ASN HD21 H 6.996 . 2 128 30 12 ASN HD22 H 6.267 . 2 129 30 12 ASN C C 176.203 . 1 130 30 12 ASN CA C 53.375 . 1 131 30 12 ASN CB C 36.535 . 1 132 30 12 ASN N N 127.776 . 1 133 30 12 ASN ND2 N 131.113 . 1 134 31 13 GLY H H 8.566 . 1 135 31 13 GLY HA2 H 4.037 . 2 136 31 13 GLY HA3 H 3.362 . 2 137 31 13 GLY C C 175.317 . 1 138 31 13 GLY CA C 45.490 . 1 139 31 13 GLY N N 121.843 . 1 140 32 14 ARG H H 7.768 . 1 141 32 14 ARG HA H 4.772 . 1 142 32 14 ARG HB2 H 1.985 . 2 143 32 14 ARG HB3 H 1.887 . 2 144 32 14 ARG HG2 H 1.684 . 2 145 32 14 ARG HD2 H 3.256 . 2 146 32 14 ARG C C 173.282 . 1 147 32 14 ARG CA C 53.767 . 1 148 32 14 ARG CB C 33.102 . 1 149 32 14 ARG CG C 27.149 . 1 150 32 14 ARG CD C 43.271 . 1 151 32 14 ARG N N 120.387 . 1 152 33 15 HIS H H 9.052 . 1 153 33 15 HIS HA H 4.078 . 1 154 33 15 HIS HB2 H 3.083 . 2 155 33 15 HIS HB3 H 2.915 . 2 156 33 15 HIS HD1 H 6.837 . 1 157 33 15 HIS HD2 H 6.837 . 1 158 33 15 HIS HE1 H 6.857 . 1 159 33 15 HIS C C 175.394 . 1 160 33 15 HIS CA C 60.901 . 1 161 33 15 HIS CB C 30.726 . 1 162 33 15 HIS N N 122.319 . 1 163 34 16 TRP H H 8.893 . 1 164 34 16 TRP HA H 4.600 . 1 165 34 16 TRP HB2 H 3.109 . 2 166 34 16 TRP HB3 H 2.981 . 2 167 34 16 TRP HD1 H 6.912 . 1 168 34 16 TRP HE1 H 10.281 . 1 169 34 16 TRP HE3 H 7.130 . 1 170 34 16 TRP C C 175.114 . 1 171 34 16 TRP CA C 59.600 . 1 172 34 16 TRP CB C 32.000 . 1 173 34 16 TRP N N 128.894 . 1 174 34 16 TRP NE1 N 130.625 . 1 175 36 18 THR H H 8.633 . 1 176 36 18 THR HA H 5.771 . 1 177 36 18 THR HB H 3.874 . 1 178 36 18 THR HG2 H 0.972 . . 179 36 18 THR C C 170.818 . 1 180 36 18 THR CA C 62.155 . 1 181 36 18 THR CB C 72.559 . 1 182 36 18 THR CG2 C 22.439 . 1 183 36 18 THR N N 117.235 . 1 184 37 19 ILE H H 8.819 . 1 185 37 19 ILE HA H 4.363 . 1 186 37 19 ILE HB H 0.977 . 1 187 37 19 ILE HG12 H 1.274 . 2 188 37 19 ILE HG13 H 0.876 . 2 189 37 19 ILE HG2 H 0.698 . 1 190 37 19 ILE HD1 H -0.038 . 1 191 37 19 ILE C C 174.236 . 1 192 37 19 ILE CA C 61.063 . 1 193 37 19 ILE CB C 42.193 . 1 194 37 19 ILE CG1 C 28.558 . 1 195 37 19 ILE CG2 C 17.825 . 1 196 37 19 ILE CD1 C 13.493 . 1 197 37 19 ILE N N 125.487 . 1 198 38 20 ARG H H 9.279 . 1 199 38 20 ARG HA H 5.527 . 1 200 38 20 ARG HB2 H 1.834 . 2 201 38 20 ARG HB3 H 1.762 . 2 202 38 20 ARG HG2 H 1.403 . 2 203 38 20 ARG HG3 H 1.330 . 2 204 38 20 ARG HD2 H 3.108 . 2 205 38 20 ARG HD3 H 3.061 . 2 206 38 20 ARG C C 175.319 . 1 207 38 20 ARG CA C 54.994 . 1 208 38 20 ARG CB C 31.536 . 1 209 38 20 ARG CG C 26.670 . 1 210 38 20 ARG CD C 43.819 . 1 211 38 20 ARG N N 113.801 . 1 212 39 21 LYS H H 8.688 . 1 213 39 21 LYS HA H 4.455 . 1 214 39 21 LYS HB2 H 1.596 . 2 215 39 21 LYS HB3 H 1.324 . 2 216 39 21 LYS HG2 H 1.653 . 2 217 39 21 LYS HG3 H 1.474 . 2 218 39 21 LYS HD2 H 1.783 . 2 219 39 21 LYS HD3 H 1.731 . 2 220 39 21 LYS HE2 H 2.958 . 2 221 39 21 LYS HE3 H 2.918 . 2 222 39 21 LYS C C 174.897 . 1 223 39 21 LYS CA C 54.864 . 1 224 39 21 LYS CB C 37.745 . 1 225 39 21 LYS CG C 25.923 . 1 226 39 21 LYS CD C 28.600 . 1 227 39 21 LYS CE C 42.059 . 1 228 39 21 LYS N N 126.172 . 1 229 40 22 LYS H H 7.881 . 1 230 40 22 LYS HA H 4.087 . 1 231 40 22 LYS HB2 H 0.984 . 2 232 40 22 LYS HB3 H 0.929 . 2 233 40 22 LYS HG2 H 1.012 . 2 234 40 22 LYS HG3 H 0.906 . 2 235 40 22 LYS HD2 H 0.670 . 2 236 40 22 LYS HD3 H 0.617 . 2 237 40 22 LYS HE2 H 2.364 . 2 238 40 22 LYS HE3 H 2.313 . 2 239 40 22 LYS C C 174.441 . 1 240 40 22 LYS CA C 57.481 . 1 241 40 22 LYS CB C 33.002 . 1 242 40 22 LYS CG C 24.784 . 1 243 40 22 LYS CD C 28.807 . 1 244 40 22 LYS CE C 41.786 . 1 245 40 22 LYS N N 124.869 . 1 246 41 23 ALA H H 8.322 . 1 247 41 23 ALA HA H 3.810 . 1 248 41 23 ALA HB H 1.170 . 1 249 41 23 ALA C C 174.675 . 1 250 41 23 ALA CA C 54.549 . 1 251 41 23 ALA CB C 18.095 . 1 252 41 23 ALA N N 126.655 . 1 253 42 24 GLY H H 9.484 . 1 254 42 24 GLY HA2 H 4.337 . 2 255 42 24 GLY HA3 H 3.731 . 2 256 42 24 GLY C C 178.600 . 1 257 42 24 GLY CA C 44.770 . 1 258 42 24 GLY N N 113.111 . 1 259 43 25 TRP H H 8.229 . 1 260 43 25 TRP HA H 4.585 . 1 261 43 25 TRP HB2 H 3.311 . 2 262 43 25 TRP HB3 H 3.110 . 2 263 43 25 TRP HD1 H 7.011 . 1 264 43 25 TRP HE1 H 10.196 . 1 265 43 25 TRP HE3 H 7.037 . 1 266 43 25 TRP C C 174.556 . 1 267 43 25 TRP CA C 56.814 . 1 268 43 25 TRP CB C 29.671 . 1 269 43 25 TRP N N 123.508 . 1 270 43 25 TRP NE1 N 129.082 . 1 271 44 26 ALA H H 8.403 . 1 272 44 26 ALA HA H 4.311 . 1 273 44 26 ALA HB H 1.132 . 1 274 44 26 ALA C C 175.921 . 1 275 44 26 ALA CA C 52.417 . 1 276 44 26 ALA CB C 18.486 . 1 277 44 26 ALA N N 123.448 . 1 278 45 27 VAL H H 9.082 . 1 279 45 27 VAL HA H 4.103 . 1 280 45 27 VAL HB H 1.531 . 1 281 45 27 VAL HG1 H 0.139 . 2 282 45 27 VAL HG2 H 0.045 . 2 283 45 27 VAL C C 177.027 . 1 284 45 27 VAL CA C 59.989 . 1 285 45 27 VAL CB C 32.670 . 1 286 45 27 VAL CG1 C 20.118 . 2 287 45 27 VAL CG2 C 22.773 . 2 288 45 27 VAL N N 120.094 . 1 289 46 28 ARG H H 8.165 . 1 290 46 28 ARG HA H 4.641 . 1 291 46 28 ARG HB2 H 1.659 . 2 292 46 28 ARG HB3 H 1.172 . 2 293 46 28 ARG HG2 H 1.572 . 2 294 46 28 ARG HG3 H 1.284 . 2 295 46 28 ARG HD2 H 3.259 . 2 296 46 28 ARG HD3 H 3.124 . 2 297 46 28 ARG C C 173.956 . 1 298 46 28 ARG CA C 54.906 . 1 299 46 28 ARG CB C 31.966 . 1 300 46 28 ARG CG C 28.540 . 1 301 46 28 ARG CD C 43.424 . 1 302 46 28 ARG N N 124.038 . 1 303 47 29 PHE H H 8.507 . 1 304 47 29 PHE HA H 4.587 . 1 305 47 29 PHE HB2 H 2.592 . 2 306 47 29 PHE C C 173.627 . 1 307 47 29 PHE CA C 56.834 . 1 308 47 29 PHE CB C 41.681 . 1 309 47 29 PHE N N 121.028 . 1 310 48 30 TYR H H 8.964 . 1 311 48 30 TYR HA H 5.397 . 1 312 48 30 TYR HB2 H 2.811 . 2 313 48 30 TYR HB3 H 2.598 . 2 314 48 30 TYR HD1 H 6.813 . 3 315 48 30 TYR HE1 H 6.716 . . 316 48 30 TYR HE2 H 6.716 . 3 317 48 30 TYR C C 174.607 . 1 318 48 30 TYR CA C 56.621 . 1 319 48 30 TYR CB C 41.840 . 1 320 48 30 TYR N N 120.294 . 1 321 49 31 GLU H H 9.448 . 1 322 49 31 GLU HA H 4.908 . 1 323 49 31 GLU HB2 H 2.181 . 2 324 49 31 GLU HB3 H 1.977 . 2 325 49 31 GLU HG2 H 2.439 . 2 326 49 31 GLU HG3 H 2.168 . 2 327 49 31 GLU C C 175.240 . 1 328 49 31 GLU CA C 55.400 . 1 329 49 31 GLU CB C 33.359 . 1 330 49 31 GLU CG C 37.685 . 1 331 49 31 GLU N N 123.284 . 1 332 50 32 GLU H H 9.168 . 1 333 50 32 GLU HA H 4.774 . 1 334 50 32 GLU HB2 H 1.975 . 2 335 50 32 GLU HB3 H 1.829 . 2 336 50 32 GLU HG2 H 2.126 . 2 337 50 32 GLU HG3 H 2.008 . 2 338 50 32 GLU C C 175.159 . 1 339 50 32 GLU CA C 55.278 . 1 340 50 32 GLU CB C 31.418 . 1 341 50 32 GLU CG C 36.872 . 1 342 50 32 GLU N N 130.287 . 1 343 51 33 LYS H H 8.798 . 1 344 51 33 LYS HA H 4.670 . 1 345 51 33 LYS HB2 H 1.746 . 2 346 51 33 LYS HB3 H 1.491 . 2 347 51 33 LYS HG2 H 1.395 . 2 348 51 33 LYS HD2 H 1.659 . 2 349 51 33 LYS HE2 H 2.931 . 2 350 51 33 LYS C C 175.090 . 1 351 51 33 LYS CA C 53.865 . 1 352 51 33 LYS CB C 33.322 . 1 353 51 33 LYS CG C 25.254 . 1 354 51 33 LYS CD C 29.214 . 1 355 51 33 LYS CE C 42.029 . 1 356 51 33 LYS N N 126.416 . 1 357 52 34 PRO HA H 4.305 . 1 358 52 34 PRO HB2 H 2.275 . 2 359 52 34 PRO HB3 H 1.895 . 2 360 52 34 PRO HG2 H 2.129 . 2 361 52 34 PRO HG3 H 2.009 . 2 362 52 34 PRO HD2 H 3.869 . 2 363 52 34 PRO HD3 H 3.598 . 2 364 52 34 PRO CA C 63.992 . 1 365 52 34 PRO CB C 31.633 . 1 366 52 34 PRO CG C 27.727 . 1 367 52 34 PRO CD C 50.478 . 1 368 53 35 GLY H H 7.656 . 1 369 53 35 GLY HA2 H 4.290 . 2 370 53 35 GLY HA3 H 3.811 . 2 371 53 35 GLY C C 175.386 . 1 372 53 35 GLY CA C 45.998 . 1 373 53 35 GLY N N 104.179 . 1 374 54 36 GLN H H 7.908 . 1 375 54 36 GLN HA H 4.889 . 1 376 54 36 GLN HB2 H 2.142 . 2 377 54 36 GLN HB3 H 1.808 . 2 378 54 36 GLN HG2 H 2.208 . 2 379 54 36 GLN HG3 H 2.155 . 2 380 54 36 GLN HE21 H 7.569 . 2 381 54 36 GLN HE22 H 6.926 . 2 382 54 36 GLN C C 173.552 . 1 383 54 36 GLN CA C 52.512 . 1 384 54 36 GLN CB C 30.105 . 1 385 54 36 GLN CG C 33.096 . 1 386 54 36 GLN N N 118.565 . 1 387 54 36 GLN NE2 N 113.075 . 1 388 55 37 PRO HA H 4.486 . 1 389 55 37 PRO HB2 H 2.329 . 2 390 55 37 PRO HB3 H 1.820 . 2 391 55 37 PRO HG2 H 2.060 . 2 392 55 37 PRO HG3 H 1.976 . 2 393 55 37 PRO HD2 H 3.784 . 2 394 55 37 PRO HD3 H 3.645 . 2 395 55 37 PRO CA C 62.336 . 1 396 55 37 PRO CB C 31.939 . 1 397 55 37 PRO CG C 27.531 . 1 398 55 37 PRO CD C 50.479 . 1 399 56 38 LYS H H 8.614 . 1 400 56 38 LYS HA H 4.491 . 1 401 56 38 LYS HB2 H 1.640 . 2 402 56 38 LYS HG2 H 1.220 . 2 403 56 38 LYS HD2 H 1.215 . 2 404 56 38 LYS HD3 H 1.115 . 2 405 56 38 LYS HE2 H 2.275 . 2 406 56 38 LYS C C 177.217 . 1 407 56 38 LYS CA C 57.343 . 1 408 56 38 LYS CB C 33.134 . 1 409 56 38 LYS CG C 24.771 . 1 410 56 38 LYS CD C 29.460 . 1 411 56 38 LYS CE C 41.244 . 1 412 56 38 LYS N N 123.985 . 1 413 57 39 ARG H H 8.637 . 1 414 57 39 ARG HA H 4.847 . 1 415 57 39 ARG HB2 H 1.944 . 2 416 57 39 ARG HB3 H 1.764 . 2 417 57 39 ARG HG2 H 1.588 . 2 418 57 39 ARG HG3 H 1.374 . 2 419 57 39 ARG HD2 H 3.208 . 2 420 57 39 ARG HD3 H 3.104 . 2 421 57 39 ARG C C 175.999 . 1 422 57 39 ARG CA C 54.440 . 1 423 57 39 ARG CB C 33.941 . 1 424 57 39 ARG CG C 27.350 . 1 425 57 39 ARG CD C 43.831 . 1 426 57 39 ARG N N 123.591 . 1 427 58 40 LEU H H 8.967 . 1 428 58 40 LEU HA H 4.036 . 1 429 58 40 LEU HB2 H 1.736 . 2 430 58 40 LEU HB3 H 1.351 . 2 431 58 40 LEU HG H 1.093 . 1 432 58 40 LEU HD1 H 0.755 . 2 433 58 40 LEU HD2 H 0.360 . 2 434 58 40 LEU C C 174.629 . 1 435 58 40 LEU CA C 55.678 . 1 436 58 40 LEU CB C 42.343 . 1 437 58 40 LEU CG C 26.882 . 1 438 58 40 LEU CD1 C 25.945 . 2 439 58 40 LEU CD2 C 22.503 . 2 440 58 40 LEU N N 129.411 . 1 441 59 41 VAL H H 8.755 . 1 442 59 41 VAL HA H 4.195 . 1 443 59 41 VAL HB H 0.424 . 1 444 59 41 VAL HG1 H 0.193 . 2 445 59 41 VAL HG2 H -0.545 . 2 446 59 41 VAL C C 177.461 . 1 447 59 41 VAL CA C 60.673 . 1 448 59 41 VAL CB C 32.167 . 1 449 59 41 VAL CG1 C 21.705 . 2 450 59 41 VAL CG2 C 17.895 . 2 451 59 41 VAL N N 121.357 . 1 452 60 42 ALA H H 6.845 . 1 453 60 42 ALA HA H 4.193 . 1 454 60 42 ALA HB H 1.351 . 1 455 60 42 ALA C C 173.925 . 1 456 60 42 ALA CA C 53.911 . 1 457 60 42 ALA CB C 25.315 . 1 458 60 42 ALA N N 116.276 . 1 459 61 43 ILE H H 8.160 . 1 460 61 43 ILE HA H 4.983 . 1 461 61 43 ILE HB H 1.645 . 1 462 61 43 ILE HG12 H 1.463 . 2 463 61 43 ILE HG13 H 0.776 . 2 464 61 43 ILE HG2 H 0.705 . 1 465 61 43 ILE HD1 H 0.718 . 1 466 61 43 ILE C C 175.706 . 1 467 61 43 ILE CA C 61.489 . 1 468 61 43 ILE CB C 39.471 . 1 469 61 43 ILE CG1 C 28.432 . 1 470 61 43 ILE CG2 C 16.989 . 1 471 61 43 ILE CD1 C 13.061 . 1 472 61 43 ILE N N 119.208 . 1 473 62 44 CYS H H 9.391 . 1 474 62 44 CYS HA H 5.962 . 1 475 62 44 CYS HB2 H 2.956 . 2 476 62 44 CYS HB3 H 2.884 . 2 477 62 44 CYS C C 176.671 . 1 478 62 44 CYS CA C 54.942 . 1 479 62 44 CYS CB C 51.384 . 1 480 62 44 CYS N N 122.344 . 1 481 63 45 LYS H H 8.707 . 1 482 63 45 LYS HA H 4.740 . 1 483 63 45 LYS HB2 H 1.624 . 2 484 63 45 LYS HB3 H 1.502 . 2 485 63 45 LYS HG2 H 1.316 . 2 486 63 45 LYS HG3 H 1.118 . 2 487 63 45 LYS HD2 H 1.568 . 2 488 63 45 LYS HE2 H 2.845 . 2 489 63 45 LYS C C 171.989 . 1 490 63 45 LYS CA C 55.208 . 1 491 63 45 LYS CB C 36.674 . 1 492 63 45 LYS CG C 24.028 . 1 493 63 45 LYS CD C 29.630 . 1 494 63 45 LYS CE C 41.934 . 1 495 63 45 LYS N N 117.453 . 1 496 64 46 ASN H H 10.435 . 1 497 64 46 ASN HA H 4.965 . 1 498 64 46 ASN HB2 H 2.598 . 2 499 64 46 ASN HB3 H 2.498 . 2 500 64 46 ASN HD21 H 8.667 . 2 501 64 46 ASN HD22 H 8.008 . 2 502 64 46 ASN C C 175.196 . 1 503 64 46 ASN CA C 54.101 . 1 504 64 46 ASN CB C 41.491 . 1 505 64 46 ASN N N 125.152 . 1 506 64 46 ASN ND2 N 123.897 . 1 507 65 47 ALA H H 8.494 . 1 508 65 47 ALA HA H 3.855 . 1 509 65 47 ALA HB H 0.824 . 1 510 65 47 ALA C C 175.799 . 1 511 65 47 ALA CA C 54.935 . 1 512 65 47 ALA CB C 18.299 . 1 513 65 47 ALA N N 128.341 . 1 514 66 48 SER H H 7.312 . 1 515 66 48 SER HA H 5.096 . 1 516 66 48 SER HB2 H 4.011 . 2 517 66 48 SER HB3 H 3.922 . 2 518 66 48 SER C C 176.917 . 1 519 66 48 SER CA C 53.510 . 1 520 66 48 SER CB C 64.186 . 1 521 66 48 SER N N 111.948 . 1 522 67 49 PRO HA H 4.556 . 1 523 67 49 PRO HB2 H 2.279 . 2 524 67 49 PRO HB3 H 2.091 . 2 525 67 49 PRO HG2 H 2.117 . 2 526 67 49 PRO HG3 H 1.956 . 2 527 67 49 PRO HD2 H 3.865 . 2 528 67 49 PRO CA C 62.902 . 1 529 67 49 PRO CB C 31.987 . 1 530 67 49 PRO CG C 26.710 . 1 531 67 49 PRO CD C 50.362 . 1 532 68 50 VAL H H 8.179 . 1 533 68 50 VAL HA H 4.264 . 1 534 68 50 VAL HB H 1.958 . 1 535 68 50 VAL HG1 H 0.757 . 2 536 68 50 VAL HG2 H 0.713 . 2 537 68 50 VAL C C 176.385 . 1 538 68 50 VAL CA C 61.970 . 1 539 68 50 VAL CB C 34.225 . 1 540 68 50 VAL CG1 C 21.608 . 2 541 68 50 VAL CG2 C 19.651 . 2 542 68 50 VAL N N 113.213 . 1 543 69 51 HIS H H 7.258 . 1 544 69 51 HIS HA H 4.782 . 1 545 69 51 HIS HB2 H 3.099 . 2 546 69 51 HIS HB3 H 2.972 . 2 547 69 51 HIS HD1 H 7.111 . 1 548 69 51 HIS HD2 H 7.111 . 1 549 69 51 HIS HE1 H 6.932 . 1 550 69 51 HIS C C 174.407 . 1 551 69 51 HIS CA C 53.764 . 1 552 69 51 HIS CB C 32.061 . 1 553 69 51 HIS N N 116.383 . 1 554 70 52 CYS H H 9.059 . 1 555 70 52 CYS HA H 4.354 . 1 556 70 52 CYS HB2 H 2.679 . 2 557 70 52 CYS HB3 H 2.517 . 2 558 70 52 CYS C C 173.363 . 1 559 70 52 CYS CA C 55.468 . 1 560 70 52 CYS CB C 37.182 . 1 561 70 52 CYS N N 123.079 . 1 562 71 53 ASN H H 9.725 . 1 563 71 53 ASN HA H 4.806 . 1 564 71 53 ASN HB2 H 3.004 . 2 565 71 53 ASN HB3 H 2.641 . 2 566 71 53 ASN HD21 H 7.640 . 2 567 71 53 ASN HD22 H 6.086 . 2 568 71 53 ASN C C 173.859 . 1 569 71 53 ASN CA C 55.158 . 1 570 71 53 ASN CB C 38.015 . 1 571 71 53 ASN N N 124.854 . 1 572 71 53 ASN ND2 N 129.874 . 1 573 72 54 TYR H H 9.030 . 1 574 72 54 TYR HA H 4.726 . 1 575 72 54 TYR HB2 H 3.294 . 2 576 72 54 TYR HB3 H 3.027 . 2 577 72 54 TYR HD1 H 6.912 . 3 578 72 54 TYR HE1 H 6.686 . 3 579 72 54 TYR HE2 H 6.686 . . 580 72 54 TYR C C 173.105 . 1 581 72 54 TYR CA C 57.088 . 1 582 72 54 TYR CB C 38.767 . 1 583 72 54 TYR N N 121.608 . 1 584 73 55 LEU H H 9.164 . 1 585 73 55 LEU HA H 5.006 . 1 586 73 55 LEU HB2 H 1.845 . 2 587 73 55 LEU HB3 H 1.583 . 2 588 73 55 LEU HG H 1.691 . 1 589 73 55 LEU HD1 H 1.058 . 2 590 73 55 LEU HD2 H 0.923 . 2 591 73 55 LEU C C 171.521 . 1 592 73 55 LEU CA C 53.437 . 1 593 73 55 LEU CB C 45.248 . 1 594 73 55 LEU CG C 27.108 . 1 595 73 55 LEU CD1 C 27.108 . 2 596 73 55 LEU CD2 C 26.427 . 2 597 73 55 LEU N N 118.112 . 1 598 74 56 LYS H H 8.861 . 1 599 74 56 LYS HA H 4.268 . 1 600 74 56 LYS HB2 H 1.897 . 2 601 74 56 LYS HB3 H 1.716 . 2 602 74 56 LYS HG2 H 1.531 . 2 603 74 56 LYS HG3 H 1.448 . 2 604 74 56 LYS HD2 H 1.776 . 2 605 74 56 LYS HD3 H 1.734 . 2 606 74 56 LYS HE2 H 3.033 . 2 607 74 56 LYS C C 177.000 . 1 608 74 56 LYS CA C 55.653 . 1 609 74 56 LYS CB C 33.917 . 1 610 74 56 LYS CG C 24.748 . 1 611 74 56 LYS CD C 29.436 . 1 612 74 56 LYS CE C 41.954 . 1 613 74 56 LYS N N 121.270 . 1 614 75 57 CYS H H 9.221 . 1 615 75 57 CYS HA H 6.064 . 1 616 75 57 CYS HB2 H 3.032 . 2 617 75 57 CYS HB3 H 2.882 . 2 618 75 57 CYS C C 177.168 . 1 619 75 57 CYS CA C 55.634 . 1 620 75 57 CYS CB C 48.554 . 1 621 75 57 CYS N N 122.620 . 1 622 76 58 THR H H 9.691 . 1 623 76 58 THR HA H 4.567 . 1 624 76 58 THR HB H 4.359 . 1 625 76 58 THR HG2 H 1.119 . . 626 76 58 THR C C 173.306 . 1 627 76 58 THR CA C 60.220 . 1 628 76 58 THR CB C 71.327 . 1 629 76 58 THR CG2 C 20.559 . 1 630 76 58 THR N N 114.324 . 1 631 77 59 ASN H H 8.919 . 1 632 77 59 ASN HA H 4.083 . 1 633 77 59 ASN HB2 H 2.752 . 2 634 77 59 ASN HB3 H 2.421 . 2 635 77 59 ASN HD21 H 7.492 . 2 636 77 59 ASN HD22 H 6.914 . 2 637 77 59 ASN C C 172.419 . 1 638 77 59 ASN CA C 54.693 . 1 639 77 59 ASN CB C 36.811 . 1 640 77 59 ASN N N 115.290 . 1 641 77 59 ASN ND2 N 112.632 . 1 642 78 60 LEU H H 7.904 . 1 643 78 60 LEU HA H 4.544 . 1 644 78 60 LEU HB2 H 1.654 . 2 645 78 60 LEU HB3 H 1.375 . 2 646 78 60 LEU HG H 1.277 . 1 647 78 60 LEU HD1 H 0.875 . 2 648 78 60 LEU HD2 H 0.699 . 2 649 78 60 LEU C C 174.153 . 1 650 78 60 LEU CA C 55.001 . 1 651 78 60 LEU CB C 42.112 . 1 652 78 60 LEU CG C 27.074 . 1 653 78 60 LEU CD1 C 25.914 . 2 654 78 60 LEU CD2 C 24.680 . 2 655 78 60 LEU N N 116.956 . 1 656 79 61 ALA H H 8.339 . 1 657 79 61 ALA HA H 4.467 . 1 658 79 61 ALA HB H 1.502 . 1 659 79 61 ALA C C 178.549 . 1 660 79 61 ALA CA C 50.718 . 1 661 79 61 ALA CB C 19.430 . 1 662 79 61 ALA N N 128.771 . 1 663 80 62 ALA H H 8.555 . 1 664 80 62 ALA HA H 4.136 . 1 665 80 62 ALA HB H 1.419 . 1 666 80 62 ALA C C 176.954 . 1 667 80 62 ALA CA C 54.390 . 1 668 80 62 ALA CB C 18.067 . 1 669 80 62 ALA N N 123.658 . 1 670 81 63 GLY H H 8.546 . 1 671 81 63 GLY HA2 H 3.943 . 2 672 81 63 GLY C C 178.937 . 1 673 81 63 GLY CA C 45.238 . 1 674 81 63 GLY N N 110.889 . 1 675 82 64 PHE H H 8.310 . 1 676 82 64 PHE HA H 5.434 . 1 677 82 64 PHE HB2 H 3.141 . 2 678 82 64 PHE HB3 H 2.524 . 2 679 82 64 PHE HD2 H 6.655 . 3 680 82 64 PHE HE2 H 7.218 . 3 681 82 64 PHE C C 174.615 . 1 682 82 64 PHE CA C 58.093 . 1 683 82 64 PHE CB C 39.788 . 1 684 82 64 PHE N N 122.593 . 1 685 83 65 SER H H 8.835 . 1 686 83 65 SER HA H 4.533 . 1 687 83 65 SER HB2 H 3.869 . 2 688 83 65 SER HB3 H 3.741 . 2 689 83 65 SER C C 175.587 . 1 690 83 65 SER CA C 57.493 . 1 691 83 65 SER CB C 65.377 . 1 692 83 65 SER N N 112.745 . 1 693 84 66 ALA H H 8.718 . 1 694 84 66 ALA HA H 4.062 . 1 695 84 66 ALA HB H 1.526 . 1 696 84 66 ALA C C 171.444 . 1 697 84 66 ALA CA C 54.183 . 1 698 84 66 ALA CB C 20.719 . 1 699 84 66 ALA N N 121.928 . 1 700 85 67 GLY H H 7.922 . 1 701 85 67 GLY HA2 H 4.526 . 2 702 85 67 GLY HA3 H 3.488 . 2 703 85 67 GLY C C 178.281 . 1 704 85 67 GLY CA C 44.408 . 1 705 85 67 GLY N N 112.391 . 1 706 86 68 THR H H 8.151 . 1 707 86 68 THR HA H 4.445 . 1 708 86 68 THR HB H 4.401 . 1 709 86 68 THR HG2 H 1.258 . . 710 86 68 THR C C 172.786 . 1 711 86 68 THR CA C 60.860 . 1 712 86 68 THR CB C 71.767 . 1 713 86 68 THR CG2 C 22.522 . 1 714 86 68 THR N N 110.711 . 1 715 87 69 SER H H 8.077 . 1 716 87 69 SER HA H 5.424 . 1 717 87 69 SER HB2 H 3.417 . 2 718 87 69 SER HB3 H 3.252 . 2 719 87 69 SER C C 173.074 . 1 720 87 69 SER CA C 55.086 . 1 721 87 69 SER CB C 64.526 . 1 722 87 69 SER N N 113.274 . 1 723 88 70 THR H H 8.571 . 1 724 88 70 THR HA H 4.804 . 1 725 88 70 THR HB H 4.442 . 1 726 88 70 THR HG2 H 1.232 . . 727 88 70 THR C C 175.469 . 1 728 88 70 THR CA C 58.683 . 1 729 88 70 THR CB C 72.012 . 1 730 88 70 THR CG2 C 22.134 . 1 731 88 70 THR N N 113.695 . 1 732 89 71 ASP H H 8.653 . 1 733 89 71 ASP HA H 4.918 . 1 734 89 71 ASP HB2 H 2.626 . 2 735 89 71 ASP HB3 H 2.437 . 2 736 89 71 ASP C C 173.794 . 1 737 89 71 ASP CA C 55.399 . 1 738 89 71 ASP CB C 41.891 . 1 739 89 71 ASP N N 121.623 . 1 740 90 72 VAL H H 8.101 . 1 741 90 72 VAL HA H 3.986 . 1 742 90 72 VAL HB H 1.911 . 1 743 90 72 VAL HG1 H 0.742 . 2 744 90 72 VAL HG2 H 0.723 . 2 745 90 72 VAL C C 177.366 . 1 746 90 72 VAL CA C 62.581 . 1 747 90 72 VAL CB C 32.141 . 1 748 90 72 VAL CG1 C 21.040 . 2 749 90 72 VAL CG2 C 21.126 . 2 750 90 72 VAL N N 121.432 . 1 751 91 73 LEU H H 8.664 . 1 752 91 73 LEU HA H 4.396 . 1 753 91 73 LEU HB2 H 1.651 . 2 754 91 73 LEU HB3 H 1.561 . 2 755 91 73 LEU HG H 1.612 . 1 756 91 73 LEU HD1 H 0.915 . 2 757 91 73 LEU HD2 H 0.847 . 2 758 91 73 LEU C C 176.317 . 1 759 91 73 LEU CA C 54.981 . 1 760 91 73 LEU CB C 42.041 . 1 761 91 73 LEU CG C 26.975 . 1 762 91 73 LEU CD1 C 25.001 . 2 763 91 73 LEU CD2 C 23.120 . 2 764 91 73 LEU N N 125.852 . 1 765 92 74 SER H H 8.307 . 1 766 92 74 SER C C 177.511 . 1 767 92 74 SER CA C 58.285 . 1 768 92 74 SER CB C 63.769 . 1 769 92 74 SER N N 116.813 . 1 770 93 75 SER H H 8.368 . 1 771 93 75 SER C C 174.623 . 1 772 93 75 SER CA C 58.507 . 1 773 93 75 SER CB C 63.807 . 1 774 93 75 SER N N 117.932 . 1 775 94 76 GLY H H 8.414 . 1 776 94 76 GLY HA2 H 3.992 . 2 777 94 76 GLY C C 174.927 . 1 778 94 76 GLY CA C 45.281 . 1 779 94 76 GLY N N 110.759 . 1 780 95 77 THR H H 8.098 . 1 781 95 77 THR HA H 4.346 . 1 782 95 77 THR HB H 4.161 . 1 783 95 77 THR HG2 H 1.142 . . 784 95 77 THR C C 174.162 . 1 785 95 77 THR CA C 61.797 . 1 786 95 77 THR CB C 69.854 . 1 787 95 77 THR CG2 C 21.609 . 1 788 95 77 THR N N 114.335 . 1 789 96 78 VAL H H 8.264 . 1 790 96 78 VAL HA H 4.078 . 1 791 96 78 VAL HB H 2.046 . 1 792 96 78 VAL HG1 H 0.918 . 2 793 96 78 VAL C C 174.725 . 1 794 96 78 VAL CA C 62.658 . 1 795 96 78 VAL CB C 32.619 . 1 796 96 78 VAL CG1 C 20.821 . 2 797 96 78 VAL N N 123.267 . 1 798 97 79 GLY H H 8.532 . 1 799 97 79 GLY C C 176.567 . 1 800 97 79 GLY CA C 45.195 . 1 801 97 79 GLY N N 113.773 . 1 802 98 80 SER H H 7.875 . 1 803 98 80 SER C C 173.272 . 1 804 98 80 SER CA C 59.823 . 1 805 98 80 SER CB C 64.796 . 1 806 98 80 SER N N 121.423 . 1 stop_ save_