data_30130 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Identification and structural characterization of LytU ; _BMRB_accession_number 30130 _BMRB_flat_file_name bmr30130.str _Entry_type original _Submission_date 2016-07-06 _Accession_date 2016-07-06 _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 Raulinaitis V. . . 2 Tossavainen H. . . 3 Permi P. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 851 "13C chemical shifts" 474 "15N chemical shifts" 138 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-07-26 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 30131 'Peptidase M23 in complex with two ZN ions' stop_ _Original_release_date 2016-11-11 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Identification and structural characterization of LytU, a unique peptidoglycan endopeptidase from the lysostaphin family ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28729697 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Raulinaitis Vytas . . 2 Tossavainen Helena . . 3 Aitio Olli . . 4 Juuti Jarmo T. . 5 Hiramatsu Keiichi . . 6 Kontinen Vesa . . 7 Permi Perttu . . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_name_full 'Scientific reports' _Journal_volume 7 _Journal_issue 1 _Journal_ISSN 2045-2322 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6020 _Page_last 6020 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Peptidase M23 (E.C.3.4.24.75)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 'ZINC ION' $entity_ZN stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 16272.134 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 145 _Mol_residue_sequence ; GSKWEDFFRGSRITETFGKY QHSPFDGKHYGIDFALPKGT PIKAPTNGKVTRIFNNELGG KVLQIAEDNGEYHQWYLHLD KYNVKVGDRVKAGDIIAYSG NTGIQTTGAHLHFQRMKGGV GNAYAEDPKPFIDQLPDGER SLYDL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 48 GLY 2 49 SER 3 50 LYS 4 51 TRP 5 52 GLU 6 53 ASP 7 54 PHE 8 55 PHE 9 56 ARG 10 57 GLY 11 58 SER 12 59 ARG 13 60 ILE 14 61 THR 15 62 GLU 16 63 THR 17 64 PHE 18 65 GLY 19 66 LYS 20 67 TYR 21 68 GLN 22 69 HIS 23 70 SER 24 71 PRO 25 72 PHE 26 73 ASP 27 74 GLY 28 75 LYS 29 76 HIS 30 77 TYR 31 78 GLY 32 79 ILE 33 80 ASP 34 81 PHE 35 82 ALA 36 83 LEU 37 84 PRO 38 85 LYS 39 86 GLY 40 87 THR 41 88 PRO 42 89 ILE 43 90 LYS 44 91 ALA 45 92 PRO 46 93 THR 47 94 ASN 48 95 GLY 49 96 LYS 50 97 VAL 51 98 THR 52 99 ARG 53 100 ILE 54 101 PHE 55 102 ASN 56 103 ASN 57 104 GLU 58 105 LEU 59 106 GLY 60 107 GLY 61 108 LYS 62 109 VAL 63 110 LEU 64 111 GLN 65 112 ILE 66 113 ALA 67 114 GLU 68 115 ASP 69 116 ASN 70 117 GLY 71 118 GLU 72 119 TYR 73 120 HIS 74 121 GLN 75 122 TRP 76 123 TYR 77 124 LEU 78 125 HIS 79 126 LEU 80 127 ASP 81 128 LYS 82 129 TYR 83 130 ASN 84 131 VAL 85 132 LYS 86 133 VAL 87 134 GLY 88 135 ASP 89 136 ARG 90 137 VAL 91 138 LYS 92 139 ALA 93 140 GLY 94 141 ASP 95 142 ILE 96 143 ILE 97 144 ALA 98 145 TYR 99 146 SER 100 147 GLY 101 148 ASN 102 149 THR 103 150 GLY 104 151 ILE 105 152 GLN 106 153 THR 107 154 THR 108 155 GLY 109 156 ALA 110 157 HIS 111 158 LEU 112 159 HIS 113 160 PHE 114 161 GLN 115 162 ARG 116 163 MET 117 164 LYS 118 165 GLY 119 166 GLY 120 167 VAL 121 168 GLY 122 169 ASN 123 170 ALA 124 171 TYR 125 172 ALA 126 173 GLU 127 174 ASP 128 175 PRO 129 176 LYS 130 177 PRO 131 178 PHE 132 179 ILE 133 180 ASP 134 181 GLN 135 182 LEU 136 183 PRO 137 184 ASP 138 185 GLY 139 186 GLU 140 187 ARG 141 188 SER 142 189 LEU 143 190 TYR 144 191 ASP 145 192 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_ZN (ZINC ION)" _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 'Staphylococcus aureus' 1280 Bacteria . Staphylococcus aureus 'lytM_3, AS858_11005, ERS093009_01996' 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 $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.5 mM [U-13C; U-15N] LytU, 20 mM bisTris buffer, 0.5 mM zinc chloride, 93% H2O/7% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'Bis-Tris buffer' 20 mM . $entity_1 0.5 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCDCE)HE_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCDCE)HE' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCD)HD_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 carbons' ppm 46.01 internal indirect . . . 0.251449530 water H 1 protons ppm 4.67 internal direct . . . 1 'liquid anhydrous ammonia' N 15 nitrogen ppm 117.79 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_3 $software_4 stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCA' '3D HNCACB' '3D C(CO)NH' '3D HN(CO)CACB' '3D H(CCO)NH' '3D HBHA(CO)NH' '3D 1H-15N NOESY' '3D HCCH-COSY' '3D 1H-13C NOESY' '2D (HB)CB(CGCDCE)HE' '2D (HB)CB(CGCD)HD' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 49 2 SER HA H 4.466 0.020 1 2 49 2 SER HB2 H 3.776 0.020 2 3 49 2 SER HB3 H 3.753 0.020 2 4 49 2 SER CA C 58.343 0.400 1 5 49 2 SER CB C 64.292 0.400 1 6 50 3 LYS H H 8.439 0.020 1 7 50 3 LYS HA H 4.234 0.020 1 8 50 3 LYS HB2 H 1.637 0.020 1 9 50 3 LYS HB3 H 1.637 0.020 1 10 50 3 LYS HG2 H 1.193 0.020 1 11 50 3 LYS HG3 H 1.193 0.020 1 12 50 3 LYS HD2 H 1.548 0.020 1 13 50 3 LYS HD3 H 1.548 0.020 1 14 50 3 LYS HE2 H 2.846 0.020 1 15 50 3 LYS HE3 H 2.846 0.020 1 16 50 3 LYS CA C 56.984 0.400 1 17 50 3 LYS CB C 32.849 0.400 1 18 50 3 LYS CG C 24.444 0.400 1 19 50 3 LYS CD C 29.128 0.400 1 20 50 3 LYS CE C 42.105 0.400 1 21 50 3 LYS N N 122.982 0.400 1 22 51 4 TRP H H 8.085 0.020 1 23 51 4 TRP HA H 4.559 0.020 1 24 51 4 TRP HB2 H 3.271 0.020 2 25 51 4 TRP HB3 H 3.218 0.020 2 26 51 4 TRP HD1 H 7.204 0.020 1 27 51 4 TRP HE1 H 10.091 0.020 1 28 51 4 TRP HE3 H 7.537 0.020 1 29 51 4 TRP HZ2 H 7.423 0.020 1 30 51 4 TRP HZ3 H 7.031 0.020 1 31 51 4 TRP HH2 H 7.152 0.020 1 32 51 4 TRP CA C 58.144 0.400 1 33 51 4 TRP CB C 29.391 0.400 1 34 51 4 TRP CD1 C 127.105 0.400 1 35 51 4 TRP CE3 C 120.607 0.400 1 36 51 4 TRP CZ2 C 114.509 0.400 1 37 51 4 TRP CZ3 C 121.744 0.400 1 38 51 4 TRP CH2 C 124.350 0.400 1 39 51 4 TRP N N 121.230 0.400 1 40 51 4 TRP NE1 N 129.154 0.400 1 41 52 5 GLU H H 8.140 0.020 1 42 52 5 GLU HA H 4.070 0.020 1 43 52 5 GLU HB2 H 1.881 0.020 2 44 52 5 GLU HB3 H 1.795 0.020 2 45 52 5 GLU HG2 H 2.126 0.020 2 46 52 5 GLU HG3 H 2.050 0.020 2 47 52 5 GLU CA C 57.453 0.400 1 48 52 5 GLU CB C 30.331 0.400 1 49 52 5 GLU CG C 36.485 0.400 1 50 52 5 GLU N N 120.702 0.400 1 51 53 6 ASP H H 7.955 0.020 1 52 53 6 ASP HA H 4.414 0.020 1 53 53 6 ASP HB2 H 2.607 0.020 2 54 53 6 ASP HB3 H 2.441 0.020 2 55 53 6 ASP CA C 54.988 0.400 1 56 53 6 ASP CB C 41.125 0.400 1 57 53 6 ASP N N 119.846 0.400 1 58 54 7 PHE H H 7.825 0.020 1 59 54 7 PHE HA H 4.454 0.020 1 60 54 7 PHE HB2 H 2.946 0.020 1 61 54 7 PHE HB3 H 2.946 0.020 1 62 54 7 PHE HD1 H 7.048 0.020 3 63 54 7 PHE HD2 H 7.048 0.020 3 64 54 7 PHE HE1 H 7.258 0.020 3 65 54 7 PHE HE2 H 7.258 0.020 3 66 54 7 PHE CA C 58.303 0.400 1 67 54 7 PHE CB C 39.499 0.400 1 68 54 7 PHE CD1 C 131.461 0.400 3 69 54 7 PHE N N 119.374 0.400 1 70 55 8 PHE H H 8.071 0.020 1 71 55 8 PHE HA H 4.498 0.020 1 72 55 8 PHE HB2 H 3.087 0.020 2 73 55 8 PHE HB3 H 2.954 0.020 2 74 55 8 PHE HD1 H 7.229 0.020 3 75 55 8 PHE HD2 H 7.229 0.020 3 76 55 8 PHE HE1 H 7.295 0.020 3 77 55 8 PHE HE2 H 7.295 0.020 3 78 55 8 PHE CA C 58.278 0.400 1 79 55 8 PHE CB C 39.267 0.400 1 80 55 8 PHE CD1 C 131.636 0.400 3 81 55 8 PHE N N 120.273 0.400 1 82 56 9 ARG H H 8.028 0.020 1 83 56 9 ARG HA H 4.264 0.020 1 84 56 9 ARG HB2 H 1.844 0.020 2 85 56 9 ARG HB3 H 1.684 0.020 2 86 56 9 ARG HG2 H 1.536 0.020 1 87 56 9 ARG HG3 H 1.536 0.020 1 88 56 9 ARG HD2 H 3.133 0.020 1 89 56 9 ARG HD3 H 3.133 0.020 1 90 56 9 ARG CA C 56.097 0.400 1 91 56 9 ARG CB C 30.571 0.400 1 92 56 9 ARG CG C 27.251 0.400 1 93 56 9 ARG CD C 43.496 0.400 1 94 56 9 ARG N N 122.447 0.400 1 95 57 10 GLY H H 7.653 0.020 1 96 57 10 GLY HA2 H 3.923 0.020 1 97 57 10 GLY HA3 H 3.923 0.020 1 98 57 10 GLY CA C 45.149 0.400 1 99 57 10 GLY N N 108.413 0.400 1 100 58 11 SER H H 8.127 0.020 1 101 58 11 SER HA H 4.655 0.020 1 102 58 11 SER HB2 H 4.022 0.020 2 103 58 11 SER HB3 H 3.671 0.020 2 104 58 11 SER CA C 57.545 0.400 1 105 58 11 SER CB C 64.551 0.400 1 106 58 11 SER N N 114.097 0.400 1 107 59 12 ARG H H 10.161 0.020 1 108 59 12 ARG HA H 4.612 0.020 1 109 59 12 ARG HB2 H 2.455 0.020 2 110 59 12 ARG HB3 H 1.565 0.020 2 111 59 12 ARG HG2 H 1.656 0.020 1 112 59 12 ARG HG3 H 1.656 0.020 1 113 59 12 ARG HD2 H 3.067 0.020 1 114 59 12 ARG HD3 H 3.067 0.020 1 115 59 12 ARG CA C 54.806 0.400 1 116 59 12 ARG CB C 29.974 0.400 1 117 59 12 ARG CG C 28.053 0.400 1 118 59 12 ARG CD C 42.617 0.400 1 119 59 12 ARG N N 128.347 0.400 1 120 60 13 ILE H H 8.351 0.020 1 121 60 13 ILE HA H 4.361 0.020 1 122 60 13 ILE HB H 1.651 0.020 1 123 60 13 ILE HG12 H 1.824 0.020 2 124 60 13 ILE HG13 H 0.448 0.020 2 125 60 13 ILE HG2 H 0.685 0.020 1 126 60 13 ILE HD1 H 0.895 0.020 1 127 60 13 ILE CA C 63.000 0.400 1 128 60 13 ILE CB C 38.509 0.400 1 129 60 13 ILE CG1 C 30.466 0.400 1 130 60 13 ILE CG2 C 17.277 0.400 1 131 60 13 ILE CD1 C 13.933 0.400 1 132 60 13 ILE N N 122.756 0.400 1 133 61 14 THR H H 8.342 0.020 1 134 61 14 THR HA H 4.441 0.020 1 135 61 14 THR HB H 4.107 0.020 1 136 61 14 THR HG2 H 1.101 0.020 1 137 61 14 THR CA C 60.333 0.400 1 138 61 14 THR CB C 68.892 0.400 1 139 61 14 THR CG2 C 23.619 0.400 1 140 61 14 THR N N 118.594 0.400 1 141 62 15 GLU H H 7.687 0.020 1 142 62 15 GLU CA C 55.559 0.400 1 143 62 15 GLU CB C 32.113 0.400 1 144 62 15 GLU N N 120.946 0.400 1 145 63 16 THR HA H 4.706 0.020 1 146 63 16 THR HB H 4.685 0.020 1 147 63 16 THR HG2 H 1.172 0.020 1 148 63 16 THR CA C 60.712 0.400 1 149 63 16 THR CB C 70.141 0.400 1 150 63 16 THR CG2 C 22.643 0.400 1 151 64 17 PHE H H 8.942 0.020 1 152 64 17 PHE HA H 4.271 0.020 1 153 64 17 PHE HB2 H 3.006 0.020 2 154 64 17 PHE HB3 H 2.613 0.020 2 155 64 17 PHE HD1 H 6.869 0.020 3 156 64 17 PHE HD2 H 6.869 0.020 3 157 64 17 PHE HE1 H 7.221 0.020 3 158 64 17 PHE HE2 H 7.221 0.020 3 159 64 17 PHE HZ H 7.250 0.020 1 160 64 17 PHE CA C 59.897 0.400 1 161 64 17 PHE CB C 40.913 0.400 1 162 64 17 PHE CD1 C 131.602 0.400 3 163 64 17 PHE CE1 C 131.096 0.400 3 164 64 17 PHE CZ C 129.616 0.400 1 165 64 17 PHE N N 123.525 0.400 1 166 65 18 GLY H H 8.222 0.020 1 167 65 18 GLY HA2 H 4.484 0.020 2 168 65 18 GLY HA3 H 2.981 0.020 2 169 65 18 GLY CA C 45.158 0.400 1 170 65 18 GLY N N 117.021 0.400 1 171 66 19 LYS H H 8.135 0.020 1 172 66 19 LYS HA H 4.395 0.020 1 173 66 19 LYS HB2 H 1.743 0.020 2 174 66 19 LYS HB3 H 1.665 0.020 2 175 66 19 LYS HG2 H 1.352 0.020 1 176 66 19 LYS HG3 H 1.352 0.020 1 177 66 19 LYS HD2 H 1.611 0.020 1 178 66 19 LYS HD3 H 1.611 0.020 1 179 66 19 LYS HE2 H 3.002 0.020 1 180 66 19 LYS HE3 H 3.002 0.020 1 181 66 19 LYS CA C 56.050 0.400 1 182 66 19 LYS CB C 33.784 0.400 1 183 66 19 LYS CG C 24.197 0.400 1 184 66 19 LYS CD C 29.192 0.400 1 185 66 19 LYS CE C 42.374 0.400 1 186 66 19 LYS N N 123.130 0.400 1 187 67 20 TYR H H 8.344 0.020 1 188 67 20 TYR HA H 4.260 0.020 1 189 67 20 TYR HB2 H 2.905 0.020 2 190 67 20 TYR HB3 H 2.813 0.020 2 191 67 20 TYR HD1 H 6.916 0.020 3 192 67 20 TYR HD2 H 6.916 0.020 3 193 67 20 TYR HE1 H 6.588 0.020 3 194 67 20 TYR HE2 H 6.588 0.020 3 195 67 20 TYR CA C 59.797 0.400 1 196 67 20 TYR CB C 39.409 0.400 1 197 67 20 TYR CD1 C 132.877 0.400 3 198 67 20 TYR CE1 C 118.330 0.400 3 199 67 20 TYR N N 121.330 0.400 1 200 68 21 GLN HA H 4.302 0.020 1 201 68 21 GLN HB2 H 1.751 0.020 2 202 68 21 GLN HB3 H 1.703 0.020 2 203 68 21 GLN HG2 H 2.223 0.020 2 204 68 21 GLN HG3 H 2.125 0.020 2 205 68 21 GLN HE21 H 7.550 0.020 2 206 68 21 GLN HE22 H 6.730 0.020 2 207 68 21 GLN CA C 57.105 0.400 1 208 68 21 GLN CB C 31.238 0.400 1 209 68 21 GLN CG C 34.175 0.400 1 210 68 21 GLN NE2 N 112.076 0.400 1 211 69 22 HIS H H 9.496 0.020 1 212 69 22 HIS HA H 4.721 0.020 1 213 69 22 HIS HB2 H 3.219 0.020 2 214 69 22 HIS HB3 H 2.982 0.020 2 215 69 22 HIS HD2 H 6.969 0.020 1 216 69 22 HIS CA C 56.016 0.400 1 217 69 22 HIS CB C 30.471 0.400 1 218 69 22 HIS CD2 C 120.290 0.400 1 219 69 22 HIS N N 118.930 0.400 1 220 70 23 SER H H 7.486 0.020 1 221 70 23 SER HA H 4.671 0.020 1 222 70 23 SER HB2 H 3.326 0.020 2 223 70 23 SER HB3 H 3.223 0.020 2 224 70 23 SER CA C 55.814 0.400 1 225 70 23 SER CB C 64.390 0.400 1 226 70 23 SER N N 115.000 0.400 1 227 71 24 PRO HA H 4.398 0.020 1 228 71 24 PRO HB2 H 1.830 0.020 1 229 71 24 PRO HB3 H 1.830 0.020 1 230 71 24 PRO HG2 H 1.801 0.020 2 231 71 24 PRO HG3 H 1.376 0.020 2 232 71 24 PRO HD2 H 3.466 0.020 2 233 71 24 PRO HD3 H 3.101 0.020 2 234 71 24 PRO CA C 63.243 0.400 1 235 71 24 PRO CB C 30.034 0.400 1 236 71 24 PRO CG C 26.661 0.400 1 237 71 24 PRO CD C 50.217 0.400 1 238 72 25 PHE H H 7.239 0.020 1 239 72 25 PHE HA H 4.657 0.020 1 240 72 25 PHE HB2 H 2.900 0.020 2 241 72 25 PHE HB3 H 2.069 0.020 2 242 72 25 PHE HD1 H 6.819 0.020 3 243 72 25 PHE HD2 H 6.819 0.020 3 244 72 25 PHE HE1 H 7.205 0.020 3 245 72 25 PHE HE2 H 7.205 0.020 3 246 72 25 PHE HZ H 7.145 0.020 1 247 72 25 PHE CA C 55.877 0.400 1 248 72 25 PHE CB C 39.647 0.400 1 249 72 25 PHE CD1 C 131.139 0.400 3 250 72 25 PHE CE1 C 131.022 0.400 3 251 72 25 PHE CZ C 129.303 0.400 1 252 72 25 PHE N N 119.552 0.400 1 253 73 26 ASP H H 8.176 0.020 1 254 73 26 ASP HA H 4.725 0.020 1 255 73 26 ASP HB2 H 2.629 0.020 1 256 73 26 ASP HB3 H 2.629 0.020 1 257 73 26 ASP CA C 53.897 0.400 1 258 73 26 ASP CB C 42.081 0.400 1 259 73 26 ASP N N 120.770 0.400 1 260 74 27 GLY H H 7.987 0.020 1 261 74 27 GLY HA2 H 4.102 0.020 2 262 74 27 GLY HA3 H 3.648 0.020 2 263 74 27 GLY CA C 45.092 0.400 1 264 74 27 GLY N N 107.726 0.400 1 265 75 28 LYS H H 8.050 0.020 1 266 75 28 LYS HA H 3.983 0.020 1 267 75 28 LYS HB2 H 1.207 0.020 2 268 75 28 LYS HB3 H 0.956 0.020 2 269 75 28 LYS HG2 H 0.915 0.020 2 270 75 28 LYS HG3 H 0.423 0.020 2 271 75 28 LYS HD2 H 1.354 0.020 1 272 75 28 LYS HD3 H 1.354 0.020 1 273 75 28 LYS HE2 H 2.578 0.020 1 274 75 28 LYS HE3 H 2.578 0.020 1 275 75 28 LYS CA C 55.985 0.400 1 276 75 28 LYS CB C 33.906 0.400 1 277 75 28 LYS CG C 25.187 0.400 1 278 75 28 LYS CD C 29.398 0.400 1 279 75 28 LYS CE C 42.072 0.400 1 280 75 28 LYS N N 120.055 0.400 1 281 76 29 HIS HA H 4.437 0.020 1 282 76 29 HIS HD2 H 7.491 0.020 1 283 76 29 HIS HE1 H 6.966 0.020 1 284 76 29 HIS CB C 28.857 0.400 1 285 76 29 HIS CD2 C 126.254 0.400 1 286 76 29 HIS CE1 C 138.405 0.400 1 287 77 30 TYR H H 8.826 0.020 1 288 77 30 TYR HA H 4.004 0.020 1 289 77 30 TYR HB2 H 3.296 0.020 2 290 77 30 TYR HB3 H 2.529 0.020 2 291 77 30 TYR HD1 H 7.066 0.020 3 292 77 30 TYR HD2 H 7.066 0.020 3 293 77 30 TYR HE1 H 6.688 0.020 3 294 77 30 TYR HE2 H 6.688 0.020 3 295 77 30 TYR CA C 60.536 0.400 1 296 77 30 TYR CB C 37.269 0.400 1 297 77 30 TYR CD1 C 133.351 0.400 3 298 77 30 TYR CE2 C 118.025 0.400 3 299 77 30 TYR N N 125.771 0.400 1 300 78 31 GLY H H 5.682 0.020 1 301 78 31 GLY HA2 H 4.207 0.020 2 302 78 31 GLY HA3 H 3.203 0.020 2 303 78 31 GLY CA C 45.485 0.400 1 304 78 31 GLY N N 105.228 0.400 1 305 79 32 ILE H H 8.349 0.020 1 306 79 32 ILE HA H 4.679 0.020 1 307 79 32 ILE HB H 1.463 0.020 1 308 79 32 ILE HG12 H 1.660 0.020 2 309 79 32 ILE HG13 H 0.938 0.020 2 310 79 32 ILE HG2 H 0.776 0.020 1 311 79 32 ILE HD1 H 0.929 0.020 1 312 79 32 ILE CA C 59.100 0.400 1 313 79 32 ILE CB C 42.986 0.400 1 314 79 32 ILE CG1 C 28.531 0.400 1 315 79 32 ILE CG2 C 18.403 0.400 1 316 79 32 ILE CD1 C 14.897 0.400 1 317 79 32 ILE N N 117.158 0.400 1 318 80 33 ASP H H 8.486 0.020 1 319 80 33 ASP HA H 6.375 0.020 1 320 80 33 ASP HB2 H 2.804 0.020 2 321 80 33 ASP HB3 H 2.368 0.020 2 322 80 33 ASP CA C 52.009 0.400 1 323 80 33 ASP CB C 43.165 0.400 1 324 80 33 ASP N N 124.451 0.400 1 325 81 34 PHE H H 9.110 0.020 1 326 81 34 PHE HA H 5.067 0.020 1 327 81 34 PHE HB2 H 2.810 0.020 2 328 81 34 PHE HB3 H 2.518 0.020 2 329 81 34 PHE HD1 H 7.126 0.020 3 330 81 34 PHE HD2 H 7.126 0.020 3 331 81 34 PHE HE1 H 7.197 0.020 3 332 81 34 PHE HE2 H 7.197 0.020 3 333 81 34 PHE HZ H 7.045 0.020 1 334 81 34 PHE CA C 55.281 0.400 1 335 81 34 PHE CB C 41.660 0.400 1 336 81 34 PHE CD1 C 131.877 0.400 3 337 81 34 PHE CE1 C 131.072 0.400 3 338 81 34 PHE CZ C 128.062 0.400 1 339 81 34 PHE N N 116.534 0.400 1 340 82 35 ALA H H 9.127 0.020 1 341 82 35 ALA HA H 4.469 0.020 1 342 82 35 ALA HB H 1.387 0.020 1 343 82 35 ALA CA C 53.023 0.400 1 344 82 35 ALA CB C 17.919 0.400 1 345 82 35 ALA N N 129.315 0.400 1 346 83 36 LEU H H 7.169 0.020 1 347 83 36 LEU HA H 4.733 0.020 1 348 83 36 LEU HB2 H 1.357 0.020 2 349 83 36 LEU HB3 H 1.304 0.020 2 350 83 36 LEU HG H 1.333 0.020 1 351 83 36 LEU HD1 H 0.599 0.020 2 352 83 36 LEU HD2 H 0.054 0.020 2 353 83 36 LEU CA C 50.939 0.400 1 354 83 36 LEU CB C 44.640 0.400 1 355 83 36 LEU CG C 26.110 0.400 1 356 83 36 LEU CD1 C 26.316 0.400 2 357 83 36 LEU CD2 C 22.054 0.400 2 358 83 36 LEU N N 125.695 0.400 1 359 84 37 PRO HA H 4.302 0.020 1 360 84 37 PRO HB2 H 2.244 0.020 2 361 84 37 PRO HB3 H 1.686 0.020 2 362 84 37 PRO HG2 H 1.935 0.020 1 363 84 37 PRO HG3 H 1.935 0.020 1 364 84 37 PRO HD2 H 3.607 0.020 2 365 84 37 PRO HD3 H 3.529 0.020 2 366 84 37 PRO CA C 61.592 0.400 1 367 84 37 PRO CB C 31.896 0.400 1 368 84 37 PRO CG C 27.112 0.400 1 369 84 37 PRO CD C 50.386 0.400 1 370 85 38 LYS H H 8.577 0.020 1 371 85 38 LYS HA H 3.853 0.020 1 372 85 38 LYS HB2 H 1.685 0.020 2 373 85 38 LYS HB3 H 1.559 0.020 2 374 85 38 LYS HG2 H 1.484 0.020 2 375 85 38 LYS HG3 H 1.284 0.020 2 376 85 38 LYS HD2 H 1.677 0.020 1 377 85 38 LYS HD3 H 1.677 0.020 1 378 85 38 LYS HE2 H 2.956 0.020 1 379 85 38 LYS HE3 H 2.956 0.020 1 380 85 38 LYS CA C 58.241 0.400 1 381 85 38 LYS CB C 32.070 0.400 1 382 85 38 LYS CG C 24.748 0.400 1 383 85 38 LYS CD C 29.562 0.400 1 384 85 38 LYS CE C 41.279 0.400 1 385 85 38 LYS N N 123.172 0.400 1 386 86 39 GLY H H 9.485 0.020 1 387 86 39 GLY HA2 H 4.353 0.020 2 388 86 39 GLY HA3 H 3.760 0.020 2 389 86 39 GLY CA C 45.190 0.400 1 390 86 39 GLY N N 114.345 0.400 1 391 87 40 THR H H 8.087 0.020 1 392 87 40 THR HA H 4.443 0.020 1 393 87 40 THR HB H 4.433 0.020 1 394 87 40 THR HG1 H 6.192 0.020 1 395 87 40 THR HG2 H 1.352 0.020 1 396 87 40 THR CA C 63.150 0.400 1 397 87 40 THR CB C 69.165 0.400 1 398 87 40 THR CG2 C 21.589 0.400 1 399 87 40 THR N N 121.329 0.400 1 400 88 41 PRO HA H 4.224 0.020 1 401 88 41 PRO HB2 H 2.200 0.020 2 402 88 41 PRO HB3 H 1.946 0.020 2 403 88 41 PRO HG2 H 2.486 0.020 2 404 88 41 PRO HG3 H 2.195 0.020 2 405 88 41 PRO HD2 H 4.509 0.020 2 406 88 41 PRO HD3 H 4.284 0.020 2 407 88 41 PRO CA C 63.811 0.400 1 408 88 41 PRO CB C 32.586 0.400 1 409 88 41 PRO CG C 28.361 0.400 1 410 88 41 PRO CD C 51.996 0.400 1 411 89 42 ILE H H 8.442 0.020 1 412 89 42 ILE HA H 4.689 0.020 1 413 89 42 ILE HB H 1.403 0.020 1 414 89 42 ILE HG12 H 1.445 0.020 2 415 89 42 ILE HG13 H 1.247 0.020 2 416 89 42 ILE HG2 H 0.895 0.020 1 417 89 42 ILE HD1 H 0.767 0.020 1 418 89 42 ILE CA C 57.398 0.400 1 419 89 42 ILE CB C 38.303 0.400 1 420 89 42 ILE CG1 C 26.407 0.400 1 421 89 42 ILE CG2 C 17.587 0.400 1 422 89 42 ILE CD1 C 13.087 0.400 1 423 89 42 ILE N N 124.429 0.400 1 424 90 43 LYS H H 7.847 0.020 1 425 90 43 LYS HA H 4.850 0.020 1 426 90 43 LYS HB2 H 1.386 0.020 2 427 90 43 LYS HB3 H 1.127 0.020 2 428 90 43 LYS HG2 H 1.094 0.020 2 429 90 43 LYS HG3 H 0.742 0.020 2 430 90 43 LYS HD2 H 1.440 0.020 2 431 90 43 LYS HD3 H 1.326 0.020 2 432 90 43 LYS HE2 H 2.542 0.020 2 433 90 43 LYS HE3 H 2.291 0.020 2 434 90 43 LYS CA C 53.425 0.400 1 435 90 43 LYS CB C 34.906 0.400 1 436 90 43 LYS CG C 25.265 0.400 1 437 90 43 LYS CD C 29.044 0.400 1 438 90 43 LYS CE C 42.012 0.400 1 439 90 43 LYS N N 126.463 0.400 1 440 91 44 ALA H H 8.482 0.020 1 441 91 44 ALA HA H 4.496 0.020 1 442 91 44 ALA HB H 1.409 0.020 1 443 91 44 ALA CA C 49.355 0.400 1 444 91 44 ALA CB C 17.997 0.400 1 445 91 44 ALA N N 119.926 0.400 1 446 92 45 PRO HA H 4.373 0.020 1 447 92 45 PRO HB2 H 2.031 0.020 2 448 92 45 PRO HB3 H 1.830 0.020 2 449 92 45 PRO HG2 H 2.234 0.020 2 450 92 45 PRO HG3 H 2.038 0.020 2 451 92 45 PRO HD2 H 4.634 0.020 2 452 92 45 PRO HD3 H 4.282 0.020 2 453 92 45 PRO CA C 63.670 0.400 1 454 92 45 PRO CB C 33.064 0.400 1 455 92 45 PRO CG C 26.781 0.400 1 456 92 45 PRO CD C 52.028 0.400 1 457 93 46 THR H H 7.574 0.020 1 458 93 46 THR HA H 4.634 0.020 1 459 93 46 THR HB H 4.461 0.020 1 460 93 46 THR HG2 H 1.193 0.020 1 461 93 46 THR CA C 59.310 0.400 1 462 93 46 THR CB C 73.270 0.400 1 463 93 46 THR CG2 C 20.593 0.400 1 464 93 46 THR N N 106.373 0.400 1 465 94 47 ASN H H 8.626 0.020 1 466 94 47 ASN HA H 4.993 0.020 1 467 94 47 ASN HB2 H 3.020 0.020 2 468 94 47 ASN HB3 H 2.768 0.020 2 469 94 47 ASN HD21 H 7.696 0.020 2 470 94 47 ASN HD22 H 6.809 0.020 2 471 94 47 ASN CA C 52.878 0.400 1 472 94 47 ASN CB C 38.241 0.400 1 473 94 47 ASN N N 117.756 0.400 1 474 94 47 ASN ND2 N 111.734 0.400 1 475 95 48 GLY H H 8.682 0.020 1 476 95 48 GLY HA2 H 4.267 0.020 2 477 95 48 GLY HA3 H 3.975 0.020 2 478 95 48 GLY CA C 46.896 0.400 1 479 95 48 GLY N N 110.979 0.400 1 480 96 49 LYS H H 8.634 0.020 1 481 96 49 LYS HA H 5.317 0.020 1 482 96 49 LYS HB2 H 1.722 0.020 1 483 96 49 LYS HB3 H 1.722 0.020 1 484 96 49 LYS HG2 H 1.254 0.020 1 485 96 49 LYS HG3 H 1.254 0.020 1 486 96 49 LYS HD2 H 1.625 0.020 1 487 96 49 LYS HD3 H 1.625 0.020 1 488 96 49 LYS HE2 H 2.926 0.020 1 489 96 49 LYS HE3 H 2.926 0.020 1 490 96 49 LYS CA C 54.457 0.400 1 491 96 49 LYS CB C 36.478 0.400 1 492 96 49 LYS CG C 24.884 0.400 1 493 96 49 LYS CD C 29.487 0.400 1 494 96 49 LYS CE C 42.064 0.400 1 495 96 49 LYS N N 121.541 0.400 1 496 97 50 VAL H H 9.057 0.020 1 497 97 50 VAL HA H 4.319 0.020 1 498 97 50 VAL HB H 2.474 0.020 1 499 97 50 VAL HG1 H 0.967 0.020 2 500 97 50 VAL HG2 H 0.852 0.020 2 501 97 50 VAL CA C 63.581 0.400 1 502 97 50 VAL CB C 31.234 0.400 1 503 97 50 VAL CG1 C 21.342 0.400 2 504 97 50 VAL CG2 C 22.334 0.400 2 505 97 50 VAL N N 125.394 0.400 1 506 98 51 THR H H 8.973 0.020 1 507 98 51 THR HA H 4.564 0.020 1 508 98 51 THR HB H 4.255 0.020 1 509 98 51 THR HG1 H 5.643 0.020 1 510 98 51 THR HG2 H 1.306 0.020 1 511 98 51 THR CA C 62.023 0.400 1 512 98 51 THR CB C 69.708 0.400 1 513 98 51 THR CG2 C 24.056 0.400 1 514 98 51 THR N N 121.513 0.400 1 515 99 52 ARG H H 7.924 0.020 1 516 99 52 ARG HA H 4.409 0.020 1 517 99 52 ARG HB2 H 1.855 0.020 2 518 99 52 ARG HB3 H 1.727 0.020 2 519 99 52 ARG HG2 H 1.521 0.020 2 520 99 52 ARG HG3 H 1.883 0.020 2 521 99 52 ARG HD2 H 2.950 0.020 2 522 99 52 ARG HD3 H 2.579 0.020 2 523 99 52 ARG CA C 58.250 0.400 1 524 99 52 ARG CB C 35.310 0.400 1 525 99 52 ARG CG C 29.056 0.400 1 526 99 52 ARG CD C 43.744 0.400 1 527 99 52 ARG N N 120.181 0.400 1 528 100 53 ILE H H 8.115 0.020 1 529 100 53 ILE HA H 4.434 0.020 1 530 100 53 ILE HB H 1.350 0.020 1 531 100 53 ILE HG12 H 1.315 0.020 2 532 100 53 ILE HG13 H 0.660 0.020 2 533 100 53 ILE HG2 H 0.273 0.020 1 534 100 53 ILE HD1 H 0.440 0.020 1 535 100 53 ILE CA C 62.132 0.400 1 536 100 53 ILE CB C 41.276 0.400 1 537 100 53 ILE CG1 C 28.625 0.400 1 538 100 53 ILE CG2 C 15.990 0.400 1 539 100 53 ILE CD1 C 13.827 0.400 1 540 100 53 ILE N N 125.092 0.400 1 541 101 54 PHE H H 8.001 0.020 1 542 101 54 PHE HA H 4.934 0.020 1 543 101 54 PHE HB2 H 3.168 0.020 2 544 101 54 PHE HB3 H 2.989 0.020 2 545 101 54 PHE HD1 H 6.664 0.020 3 546 101 54 PHE HD2 H 6.664 0.020 3 547 101 54 PHE HE1 H 6.883 0.020 3 548 101 54 PHE HE2 H 6.883 0.020 3 549 101 54 PHE HZ H 6.337 0.020 1 550 101 54 PHE CA C 56.090 0.400 1 551 101 54 PHE CB C 39.299 0.400 1 552 101 54 PHE CD1 C 131.724 0.400 3 553 101 54 PHE CE1 C 130.491 0.400 3 554 101 54 PHE CZ C 129.571 0.400 1 555 101 54 PHE N N 122.110 0.400 1 556 102 55 ASN H H 8.462 0.020 1 557 102 55 ASN HA H 5.570 0.020 1 558 102 55 ASN HB2 H 2.549 0.020 1 559 102 55 ASN HB3 H 2.549 0.020 1 560 102 55 ASN HD21 H 7.417 0.020 2 561 102 55 ASN HD22 H 6.767 0.020 2 562 102 55 ASN CA C 51.401 0.400 1 563 102 55 ASN CB C 41.520 0.400 1 564 102 55 ASN N N 115.860 0.400 1 565 102 55 ASN ND2 N 113.540 0.400 1 566 103 56 ASN H H 8.978 0.020 1 567 103 56 ASN HA H 4.857 0.020 1 568 103 56 ASN HB2 H 2.952 0.020 2 569 103 56 ASN HB3 H 2.409 0.020 2 570 103 56 ASN CA C 52.299 0.400 1 571 103 56 ASN CB C 42.245 0.400 1 572 103 56 ASN N N 120.292 0.400 1 573 104 57 GLU HA H 3.994 0.020 1 574 104 57 GLU HB2 H 2.052 0.020 2 575 104 57 GLU HB3 H 2.016 0.020 2 576 104 57 GLU HG2 H 2.315 0.020 1 577 104 57 GLU HG3 H 2.315 0.020 1 578 104 57 GLU CA C 60.525 0.400 1 579 104 57 GLU CB C 29.490 0.400 1 580 104 57 GLU CG C 36.572 0.400 1 581 105 58 LEU H H 7.751 0.020 1 582 105 58 LEU HA H 4.393 0.020 1 583 105 58 LEU HB2 H 1.694 0.020 2 584 105 58 LEU HB3 H 1.552 0.020 2 585 105 58 LEU HG H 1.662 0.020 1 586 105 58 LEU HD1 H 0.910 0.020 2 587 105 58 LEU HD2 H 0.828 0.020 2 588 105 58 LEU CA C 56.477 0.400 1 589 105 58 LEU CB C 42.187 0.400 1 590 105 58 LEU CG C 27.504 0.400 1 591 105 58 LEU CD1 C 25.138 0.400 2 592 105 58 LEU CD2 C 23.035 0.400 2 593 105 58 LEU N N 116.837 0.400 1 594 106 59 GLY H H 8.527 0.020 1 595 106 59 GLY HA2 H 3.555 0.020 2 596 106 59 GLY HA3 H 3.182 0.020 2 597 106 59 GLY CA C 45.648 0.400 1 598 106 59 GLY N N 106.025 0.400 1 599 107 60 GLY H H 7.888 0.020 1 600 107 60 GLY HA2 H 3.595 0.020 1 601 107 60 GLY HA3 H 3.595 0.020 1 602 107 60 GLY CA C 44.879 0.400 1 603 107 60 GLY N N 108.258 0.400 1 604 108 61 LYS H H 8.052 0.020 1 605 108 61 LYS HA H 4.072 0.020 1 606 108 61 LYS HB2 H 1.739 0.020 2 607 108 61 LYS HB3 H 1.359 0.020 2 608 108 61 LYS HG2 H 1.433 0.020 2 609 108 61 LYS HG3 H 1.339 0.020 2 610 108 61 LYS HD2 H 1.440 0.020 2 611 108 61 LYS HD3 H 1.113 0.020 2 612 108 61 LYS HE2 H 2.960 0.020 1 613 108 61 LYS HE3 H 2.960 0.020 1 614 108 61 LYS CA C 58.182 0.400 1 615 108 61 LYS CB C 32.317 0.400 1 616 108 61 LYS CG C 26.410 0.400 1 617 108 61 LYS CD C 29.382 0.400 1 618 108 61 LYS CE C 42.785 0.400 1 619 108 61 LYS N N 124.202 0.400 1 620 109 62 VAL H H 8.426 0.020 1 621 109 62 VAL HA H 4.843 0.020 1 622 109 62 VAL HB H -0.096 0.020 1 623 109 62 VAL HG1 H 0.017 0.020 2 624 109 62 VAL HG2 H -0.180 0.020 2 625 109 62 VAL CA C 60.869 0.400 1 626 109 62 VAL CB C 32.614 0.400 1 627 109 62 VAL CG1 C 21.243 0.400 2 628 109 62 VAL CG2 C 22.909 0.400 2 629 109 62 VAL N N 121.311 0.400 1 630 110 63 LEU H H 8.491 0.020 1 631 110 63 LEU HA H 5.004 0.020 1 632 110 63 LEU HB2 H 2.098 0.020 2 633 110 63 LEU HB3 H 1.442 0.020 2 634 110 63 LEU HG H 1.617 0.020 1 635 110 63 LEU HD1 H 0.689 0.020 2 636 110 63 LEU HD2 H 1.024 0.020 2 637 110 63 LEU CA C 53.647 0.400 1 638 110 63 LEU CB C 47.793 0.400 1 639 110 63 LEU CG C 27.752 0.400 1 640 110 63 LEU CD1 C 27.830 0.400 2 641 110 63 LEU CD2 C 25.502 0.400 2 642 110 63 LEU N N 130.115 0.400 1 643 111 64 GLN H H 8.810 0.020 1 644 111 64 GLN HA H 6.337 0.020 1 645 111 64 GLN HB2 H 2.651 0.020 2 646 111 64 GLN HB3 H 2.287 0.020 2 647 111 64 GLN HG2 H 2.503 0.020 2 648 111 64 GLN HG3 H 2.339 0.020 2 649 111 64 GLN HE21 H 8.026 0.020 2 650 111 64 GLN HE22 H 7.155 0.020 2 651 111 64 GLN CA C 54.418 0.400 1 652 111 64 GLN CB C 34.773 0.400 1 653 111 64 GLN CG C 33.582 0.400 1 654 111 64 GLN N N 128.234 0.400 1 655 111 64 GLN NE2 N 116.091 0.400 1 656 112 65 ILE H H 9.123 0.020 1 657 112 65 ILE HA H 5.065 0.020 1 658 112 65 ILE HB H 1.949 0.020 1 659 112 65 ILE HG12 H 1.798 0.020 2 660 112 65 ILE HG13 H 1.108 0.020 2 661 112 65 ILE HG2 H 0.680 0.020 1 662 112 65 ILE HD1 H 0.955 0.020 1 663 112 65 ILE CA C 59.538 0.400 1 664 112 65 ILE CB C 43.901 0.400 1 665 112 65 ILE CG1 C 29.700 0.400 1 666 112 65 ILE CG2 C 16.527 0.400 1 667 112 65 ILE CD1 C 14.331 0.400 1 668 112 65 ILE N N 127.021 0.400 1 669 113 66 ALA H H 9.105 0.020 1 670 113 66 ALA HA H 4.929 0.020 1 671 113 66 ALA HB H 1.550 0.020 1 672 113 66 ALA CA C 51.055 0.400 1 673 113 66 ALA CB C 21.137 0.400 1 674 113 66 ALA N N 129.429 0.400 1 675 114 67 GLU H H 8.079 0.020 1 676 114 67 GLU HA H 4.285 0.020 1 677 114 67 GLU HB2 H 2.313 0.020 2 678 114 67 GLU HB3 H 2.021 0.020 2 679 114 67 GLU HG2 H 2.287 0.020 2 680 114 67 GLU HG3 H 1.988 0.020 2 681 114 67 GLU CA C 57.410 0.400 1 682 114 67 GLU CB C 29.637 0.400 1 683 114 67 GLU CG C 37.409 0.400 1 684 114 67 GLU N N 122.386 0.400 1 685 115 68 ASP H H 8.735 0.020 1 686 115 68 ASP HA H 4.406 0.020 1 687 115 68 ASP HB2 H 2.716 0.020 2 688 115 68 ASP HB3 H 2.649 0.020 2 689 115 68 ASP CA C 56.863 0.400 1 690 115 68 ASP CB C 39.864 0.400 1 691 115 68 ASP N N 123.105 0.400 1 692 116 69 ASN H H 7.024 0.020 1 693 116 69 ASN HA H 4.496 0.020 1 694 116 69 ASN HB2 H 3.112 0.020 2 695 116 69 ASN HB3 H 2.972 0.020 2 696 116 69 ASN CA C 54.242 0.400 1 697 116 69 ASN CB C 39.236 0.400 1 698 116 69 ASN N N 111.324 0.400 1 699 117 70 GLY H H 7.533 0.020 1 700 117 70 GLY HA2 H 4.127 0.020 2 701 117 70 GLY HA3 H 3.747 0.020 2 702 117 70 GLY CA C 46.487 0.400 1 703 117 70 GLY N N 107.730 0.400 1 704 118 71 GLU H H 8.554 0.020 1 705 118 71 GLU HA H 4.400 0.020 1 706 118 71 GLU HB2 H 1.660 0.020 1 707 118 71 GLU HB3 H 1.660 0.020 1 708 118 71 GLU HG2 H 1.972 0.020 2 709 118 71 GLU HG3 H 1.777 0.020 2 710 118 71 GLU CA C 56.465 0.400 1 711 118 71 GLU CB C 33.062 0.400 1 712 118 71 GLU CG C 36.342 0.400 1 713 118 71 GLU N N 119.220 0.400 1 714 119 72 TYR H H 7.481 0.020 1 715 119 72 TYR HA H 5.577 0.020 1 716 119 72 TYR HB2 H 2.754 0.020 2 717 119 72 TYR HB3 H 2.623 0.020 2 718 119 72 TYR HD1 H 6.788 0.020 3 719 119 72 TYR HD2 H 6.788 0.020 3 720 119 72 TYR HE1 H 6.635 0.020 3 721 119 72 TYR HE2 H 6.635 0.020 3 722 119 72 TYR CA C 57.510 0.400 1 723 119 72 TYR CB C 41.906 0.400 1 724 119 72 TYR CD1 C 132.920 0.400 3 725 119 72 TYR CE2 C 117.620 0.400 3 726 119 72 TYR N N 115.800 0.400 1 727 120 73 HIS H H 9.197 0.020 1 728 120 73 HIS HA H 5.237 0.020 1 729 120 73 HIS HB2 H 2.630 0.020 2 730 120 73 HIS HB3 H 2.296 0.020 2 731 120 73 HIS HD2 H 6.241 0.020 1 732 120 73 HIS HE1 H 7.306 0.020 1 733 120 73 HIS HE2 H 11.091 0.020 1 734 120 73 HIS CA C 55.018 0.400 1 735 120 73 HIS CB C 36.575 0.400 1 736 120 73 HIS CD2 C 117.776 0.400 1 737 120 73 HIS CE1 C 137.670 0.400 1 738 120 73 HIS N N 120.012 0.400 1 739 120 73 HIS NE2 N 163.423 0.400 1 740 121 74 GLN H H 9.879 0.020 1 741 121 74 GLN HA H 5.132 0.020 1 742 121 74 GLN HB2 H 2.331 0.020 2 743 121 74 GLN HB3 H 1.893 0.020 2 744 121 74 GLN HG2 H 2.401 0.020 2 745 121 74 GLN HG3 H 2.272 0.020 2 746 121 74 GLN HE21 H 9.519 0.020 2 747 121 74 GLN HE22 H 6.643 0.020 2 748 121 74 GLN CA C 53.348 0.400 1 749 121 74 GLN CB C 32.367 0.400 1 750 121 74 GLN CG C 31.869 0.400 1 751 121 74 GLN N N 120.366 0.400 1 752 121 74 GLN NE2 N 113.443 0.400 1 753 122 75 TRP H H 9.048 0.020 1 754 122 75 TRP HA H 6.128 0.020 1 755 122 75 TRP HB2 H 2.981 0.020 2 756 122 75 TRP HB3 H 2.938 0.020 2 757 122 75 TRP HD1 H 7.435 0.020 1 758 122 75 TRP HE1 H 10.803 0.020 1 759 122 75 TRP HE3 H 7.067 0.020 1 760 122 75 TRP HZ2 H 7.324 0.020 1 761 122 75 TRP HZ3 H 6.955 0.020 1 762 122 75 TRP HH2 H 7.162 0.020 1 763 122 75 TRP CA C 53.133 0.400 1 764 122 75 TRP CB C 35.003 0.400 1 765 122 75 TRP CD1 C 123.131 0.400 1 766 122 75 TRP CE3 C 119.863 0.400 1 767 122 75 TRP CZ2 C 114.467 0.400 1 768 122 75 TRP CZ3 C 121.193 0.400 1 769 122 75 TRP CH2 C 124.412 0.400 1 770 122 75 TRP N N 120.456 0.400 1 771 122 75 TRP NE1 N 126.899 0.400 1 772 123 76 TYR H H 8.352 0.020 1 773 123 76 TYR HA H 5.222 0.020 1 774 123 76 TYR HB2 H 3.210 0.020 2 775 123 76 TYR HB3 H 2.905 0.020 2 776 123 76 TYR HD1 H 7.272 0.020 3 777 123 76 TYR HD2 H 7.272 0.020 3 778 123 76 TYR HE1 H 6.743 0.020 3 779 123 76 TYR HE2 H 6.743 0.020 3 780 123 76 TYR CA C 56.490 0.400 1 781 123 76 TYR CB C 40.557 0.400 1 782 123 76 TYR CD1 C 132.374 0.400 3 783 123 76 TYR CE2 C 118.434 0.400 3 784 123 76 TYR N N 117.682 0.400 1 785 124 77 LEU H H 8.653 0.020 1 786 124 77 LEU HA H 4.785 0.020 1 787 124 77 LEU HB2 H 1.265 0.020 2 788 124 77 LEU HB3 H 1.130 0.020 2 789 124 77 LEU HG H 1.304 0.020 1 790 124 77 LEU HD1 H 0.332 0.020 2 791 124 77 LEU HD2 H 0.491 0.020 2 792 124 77 LEU CA C 54.638 0.400 1 793 124 77 LEU CB C 45.970 0.400 1 794 124 77 LEU CG C 25.878 0.400 1 795 124 77 LEU CD1 C 25.603 0.400 2 796 124 77 LEU CD2 C 25.265 0.400 2 797 124 77 LEU N N 122.213 0.400 1 798 125 78 HIS H H 7.891 0.020 1 799 125 78 HIS HA H 4.662 0.020 1 800 125 78 HIS HB2 H 3.853 0.020 2 801 125 78 HIS HB3 H 3.168 0.020 2 802 125 78 HIS HD2 H 6.329 0.020 1 803 125 78 HIS CA C 57.158 0.400 1 804 125 78 HIS CB C 25.580 0.400 1 805 125 78 HIS CD2 C 128.891 0.400 1 806 125 78 HIS N N 112.567 0.400 1 807 126 79 LEU H H 7.784 0.020 1 808 126 79 LEU HA H 3.959 0.020 1 809 126 79 LEU HB2 H 1.220 0.020 2 810 126 79 LEU HB3 H 0.991 0.020 2 811 126 79 LEU HG H 1.559 0.020 1 812 126 79 LEU HD1 H 0.574 0.020 2 813 126 79 LEU HD2 H 0.629 0.020 2 814 126 79 LEU CA C 55.300 0.400 1 815 126 79 LEU CB C 41.880 0.400 1 816 126 79 LEU CG C 26.247 0.400 1 817 126 79 LEU CD1 C 27.838 0.400 2 818 126 79 LEU CD2 C 22.697 0.400 2 819 126 79 LEU N N 113.987 0.400 1 820 127 80 ASP H H 8.539 0.020 1 821 127 80 ASP HA H 5.011 0.020 1 822 127 80 ASP HB2 H 2.808 0.020 2 823 127 80 ASP HB3 H 2.193 0.020 2 824 127 80 ASP CA C 55.936 0.400 1 825 127 80 ASP CB C 45.078 0.400 1 826 127 80 ASP N N 116.616 0.400 1 827 128 81 LYS H H 7.230 0.020 1 828 128 81 LYS HA H 4.326 0.020 1 829 128 81 LYS HB2 H 1.818 0.020 1 830 128 81 LYS HB3 H 1.818 0.020 1 831 128 81 LYS HG2 H 1.403 0.020 1 832 128 81 LYS HG3 H 1.403 0.020 1 833 128 81 LYS HD2 H 1.441 0.020 1 834 128 81 LYS HD3 H 1.441 0.020 1 835 128 81 LYS HE2 H 2.702 0.020 1 836 128 81 LYS HE3 H 2.702 0.020 1 837 128 81 LYS CA C 55.078 0.400 1 838 128 81 LYS CB C 36.498 0.400 1 839 128 81 LYS CG C 24.593 0.400 1 840 128 81 LYS CD C 29.460 0.400 1 841 128 81 LYS CE C 42.154 0.400 1 842 128 81 LYS N N 112.483 0.400 1 843 129 82 TYR H H 8.816 0.020 1 844 129 82 TYR HA H 4.683 0.020 1 845 129 82 TYR HB2 H 3.260 0.020 2 846 129 82 TYR HB3 H 3.103 0.020 2 847 129 82 TYR HD1 H 7.085 0.020 3 848 129 82 TYR HD2 H 7.085 0.020 3 849 129 82 TYR HE1 H 6.563 0.020 3 850 129 82 TYR HE2 H 6.563 0.020 3 851 129 82 TYR CA C 57.770 0.400 1 852 129 82 TYR CB C 41.493 0.400 1 853 129 82 TYR CD1 C 132.417 0.400 3 854 129 82 TYR CE2 C 118.285 0.400 3 855 129 82 TYR N N 120.808 0.400 1 856 130 83 ASN H H 8.485 0.020 1 857 130 83 ASN HA H 5.367 0.020 1 858 130 83 ASN HB2 H 2.624 0.020 2 859 130 83 ASN HB3 H 1.849 0.020 2 860 130 83 ASN HD21 H 7.291 0.020 2 861 130 83 ASN HD22 H 7.016 0.020 2 862 130 83 ASN CA C 51.950 0.400 1 863 130 83 ASN CB C 42.115 0.400 1 864 130 83 ASN N N 119.971 0.400 1 865 130 83 ASN ND2 N 111.634 0.400 1 866 131 84 VAL H H 6.988 0.020 1 867 131 84 VAL HA H 4.694 0.020 1 868 131 84 VAL HB H 2.419 0.020 1 869 131 84 VAL HG1 H 1.060 0.020 2 870 131 84 VAL HG2 H 0.952 0.020 2 871 131 84 VAL CA C 58.756 0.400 1 872 131 84 VAL CB C 37.358 0.400 1 873 131 84 VAL CG1 C 23.392 0.400 2 874 131 84 VAL CG2 C 18.767 0.400 2 875 131 84 VAL N N 108.896 0.400 1 876 132 85 LYS H H 8.764 0.020 1 877 132 85 LYS HA H 4.510 0.020 1 878 132 85 LYS HB2 H 1.748 0.020 2 879 132 85 LYS HB3 H 1.661 0.020 2 880 132 85 LYS HG2 H 1.466 0.020 2 881 132 85 LYS HG3 H 1.237 0.020 2 882 132 85 LYS HD2 H 1.643 0.020 1 883 132 85 LYS HD3 H 1.643 0.020 1 884 132 85 LYS HE2 H 3.007 0.020 2 885 132 85 LYS HE3 H 2.963 0.020 2 886 132 85 LYS CA C 54.167 0.400 1 887 132 85 LYS CB C 35.464 0.400 1 888 132 85 LYS CG C 23.873 0.400 1 889 132 85 LYS CD C 29.117 0.400 1 890 132 85 LYS CE C 42.135 0.400 1 891 132 85 LYS N N 118.948 0.400 1 892 133 86 VAL H H 8.289 0.020 1 893 133 86 VAL HA H 3.244 0.020 1 894 133 86 VAL HB H 1.859 0.020 1 895 133 86 VAL HG1 H 0.946 0.020 2 896 133 86 VAL HG2 H 0.853 0.020 2 897 133 86 VAL CA C 65.863 0.400 1 898 133 86 VAL CB C 30.998 0.400 1 899 133 86 VAL CG1 C 23.660 0.400 2 900 133 86 VAL CG2 C 21.421 0.400 2 901 133 86 VAL N N 119.749 0.400 1 902 134 87 GLY H H 8.677 0.020 1 903 134 87 GLY HA2 H 4.516 0.020 2 904 134 87 GLY HA3 H 3.578 0.020 2 905 134 87 GLY CA C 44.670 0.400 1 906 134 87 GLY N N 116.132 0.400 1 907 135 88 ASP H H 7.971 0.020 1 908 135 88 ASP HA H 4.552 0.020 1 909 135 88 ASP HB2 H 2.840 0.020 2 910 135 88 ASP HB3 H 2.612 0.020 2 911 135 88 ASP CA C 55.569 0.400 1 912 135 88 ASP CB C 40.670 0.400 1 913 135 88 ASP N N 121.334 0.400 1 914 136 89 ARG H H 8.574 0.020 1 915 136 89 ARG HA H 4.832 0.020 1 916 136 89 ARG HB2 H 1.938 0.020 2 917 136 89 ARG HB3 H 1.821 0.020 2 918 136 89 ARG HG2 H 1.802 0.020 2 919 136 89 ARG HG3 H 1.691 0.020 2 920 136 89 ARG HD2 H 3.252 0.020 2 921 136 89 ARG HD3 H 3.171 0.020 2 922 136 89 ARG CA C 55.544 0.400 1 923 136 89 ARG CB C 30.597 0.400 1 924 136 89 ARG CG C 27.610 0.400 1 925 136 89 ARG CD C 42.791 0.400 1 926 136 89 ARG N N 121.565 0.400 1 927 137 90 VAL H H 8.661 0.020 1 928 137 90 VAL HA H 4.538 0.020 1 929 137 90 VAL HB H 1.837 0.020 1 930 137 90 VAL HG1 H 0.842 0.020 2 931 137 90 VAL HG2 H 0.700 0.020 2 932 137 90 VAL CA C 59.349 0.400 1 933 137 90 VAL CB C 34.198 0.400 1 934 137 90 VAL CG1 C 22.663 0.400 2 935 137 90 VAL CG2 C 19.431 0.400 2 936 137 90 VAL N N 119.357 0.400 1 937 138 91 LYS H H 8.658 0.020 1 938 138 91 LYS HA H 4.851 0.020 1 939 138 91 LYS HB2 H 1.678 0.020 1 940 138 91 LYS HB3 H 1.678 0.020 1 941 138 91 LYS HG2 H 1.401 0.020 1 942 138 91 LYS HG3 H 1.401 0.020 1 943 138 91 LYS HD2 H 1.675 0.020 1 944 138 91 LYS HD3 H 1.675 0.020 1 945 138 91 LYS HE2 H 3.024 0.020 1 946 138 91 LYS HE3 H 3.024 0.020 1 947 138 91 LYS CA C 53.373 0.400 1 948 138 91 LYS CB C 34.172 0.400 1 949 138 91 LYS CG C 24.327 0.400 1 950 138 91 LYS CD C 28.888 0.400 1 951 138 91 LYS CE C 41.802 0.400 1 952 138 91 LYS N N 126.130 0.400 1 953 139 92 ALA H H 7.819 0.020 1 954 139 92 ALA HA H 3.619 0.020 1 955 139 92 ALA HB H 1.067 0.020 1 956 139 92 ALA CA C 53.246 0.400 1 957 139 92 ALA CB C 17.803 0.400 1 958 139 92 ALA N N 122.604 0.400 1 959 140 93 GLY H H 9.556 0.020 1 960 140 93 GLY HA2 H 4.431 0.020 2 961 140 93 GLY HA3 H 3.483 0.020 2 962 140 93 GLY CA C 44.956 0.400 1 963 140 93 GLY N N 113.452 0.400 1 964 141 94 ASP H H 8.390 0.020 1 965 141 94 ASP HA H 4.384 0.020 1 966 141 94 ASP HB2 H 2.606 0.020 2 967 141 94 ASP HB3 H 2.469 0.020 2 968 141 94 ASP CA C 54.890 0.400 1 969 141 94 ASP CB C 41.085 0.400 1 970 141 94 ASP N N 121.968 0.400 1 971 142 95 ILE H H 8.576 0.020 1 972 142 95 ILE HA H 4.332 0.020 1 973 142 95 ILE HB H 1.785 0.020 1 974 142 95 ILE HG12 H 1.556 0.020 2 975 142 95 ILE HG13 H 1.165 0.020 2 976 142 95 ILE HG2 H 0.552 0.020 1 977 142 95 ILE HD1 H 0.760 0.020 1 978 142 95 ILE CA C 60.907 0.400 1 979 142 95 ILE CB C 36.036 0.400 1 980 142 95 ILE CG1 C 27.736 0.400 1 981 142 95 ILE CG2 C 17.710 0.400 1 982 142 95 ILE CD1 C 11.882 0.400 1 983 142 95 ILE N N 120.065 0.400 1 984 143 96 ILE H H 8.746 0.020 1 985 143 96 ILE HA H 4.484 0.020 1 986 143 96 ILE HB H 1.715 0.020 1 987 143 96 ILE HG12 H 0.723 0.020 2 988 143 96 ILE HG13 H 0.668 0.020 2 989 143 96 ILE HG2 H 0.808 0.020 1 990 143 96 ILE HD1 H 0.117 0.020 1 991 143 96 ILE CA C 61.848 0.400 1 992 143 96 ILE CB C 39.045 0.400 1 993 143 96 ILE CG1 C 24.722 0.400 1 994 143 96 ILE CG2 C 19.320 0.400 1 995 143 96 ILE CD1 C 12.462 0.400 1 996 143 96 ILE N N 121.966 0.400 1 997 144 97 ALA H H 7.669 0.020 1 998 144 97 ALA HA H 4.205 0.020 1 999 144 97 ALA HB H 1.360 0.020 1 1000 144 97 ALA CA C 51.331 0.400 1 1001 144 97 ALA CB C 22.810 0.400 1 1002 144 97 ALA N N 120.924 0.400 1 1003 145 98 TYR H H 8.189 0.020 1 1004 145 98 TYR HA H 5.115 0.020 1 1005 145 98 TYR HB2 H 2.614 0.020 2 1006 145 98 TYR HB3 H 2.519 0.020 2 1007 145 98 TYR HD1 H 6.729 0.020 3 1008 145 98 TYR HD2 H 6.729 0.020 3 1009 145 98 TYR HE1 H 6.590 0.020 3 1010 145 98 TYR HE2 H 6.590 0.020 3 1011 145 98 TYR CA C 56.420 0.400 1 1012 145 98 TYR CB C 40.716 0.400 1 1013 145 98 TYR CD1 C 132.708 0.400 3 1014 145 98 TYR CE2 C 117.130 0.400 3 1015 145 98 TYR N N 115.228 0.400 1 1016 146 99 SER H H 9.795 0.020 1 1017 146 99 SER HA H 4.203 0.020 1 1018 146 99 SER HB2 H 4.249 0.020 2 1019 146 99 SER HB3 H 3.733 0.020 2 1020 146 99 SER CA C 60.153 0.400 1 1021 146 99 SER CB C 63.749 0.400 1 1022 146 99 SER N N 123.821 0.400 1 1023 147 100 GLY H H 8.559 0.020 1 1024 147 100 GLY HA2 H 4.493 0.020 2 1025 147 100 GLY HA3 H 3.994 0.020 2 1026 147 100 GLY CA C 47.177 0.400 1 1027 147 100 GLY N N 110.807 0.400 1 1028 148 101 ASN H H 8.538 0.020 1 1029 148 101 ASN HA H 5.058 0.020 1 1030 148 101 ASN HB2 H 2.856 0.020 2 1031 148 101 ASN HB3 H 2.453 0.020 2 1032 148 101 ASN HD21 H 7.481 0.020 2 1033 148 101 ASN HD22 H 6.756 0.020 2 1034 148 101 ASN CA C 51.426 0.400 1 1035 148 101 ASN CB C 39.832 0.400 1 1036 148 101 ASN N N 118.507 0.400 1 1037 148 101 ASN ND2 N 110.000 0.400 1 1038 149 102 THR H H 7.456 0.020 1 1039 149 102 THR HA H 4.189 0.020 1 1040 149 102 THR HB H 4.449 0.020 1 1041 149 102 THR HG2 H 1.555 0.020 1 1042 149 102 THR CA C 62.442 0.400 1 1043 149 102 THR CB C 70.224 0.400 1 1044 149 102 THR CG2 C 23.463 0.400 1 1045 149 102 THR N N 110.431 0.400 1 1046 150 103 GLY HA2 H 4.085 0.020 2 1047 150 103 GLY HA3 H 3.967 0.020 2 1048 150 103 GLY CA C 45.033 0.400 1 1049 151 104 ILE HA H 4.171 0.020 1 1050 151 104 ILE HB H 1.858 0.020 1 1051 151 104 ILE HG12 H 1.271 0.020 1 1052 151 104 ILE HG13 H 1.271 0.020 1 1053 151 104 ILE HG2 H 0.867 0.020 1 1054 151 104 ILE HD1 H 0.692 0.020 1 1055 151 104 ILE CA C 62.198 0.400 1 1056 151 104 ILE CB C 38.836 0.400 1 1057 151 104 ILE CG1 C 27.467 0.400 1 1058 151 104 ILE CG2 C 17.582 0.400 1 1059 151 104 ILE CD1 C 13.645 0.400 1 1060 152 105 GLN HA H 4.369 0.020 1 1061 152 105 GLN HB2 H 2.139 0.020 2 1062 152 105 GLN HB3 H 1.834 0.020 2 1063 152 105 GLN HG2 H 2.075 0.020 2 1064 152 105 GLN HG3 H 1.871 0.020 2 1065 152 105 GLN CA C 55.666 0.400 1 1066 152 105 GLN CB C 29.159 0.400 1 1067 152 105 GLN CG C 33.934 0.400 1 1068 153 106 THR HA H 4.469 0.020 1 1069 153 106 THR HB H 4.080 0.020 1 1070 153 106 THR HG2 H 1.025 0.020 1 1071 153 106 THR CA C 61.232 0.400 1 1072 153 106 THR CB C 69.447 0.400 1 1073 153 106 THR CG2 C 21.066 0.400 1 1074 154 107 THR HA H 4.380 0.020 1 1075 154 107 THR HB H 4.323 0.020 1 1076 154 107 THR HG2 H 1.120 0.020 1 1077 154 107 THR CA C 61.839 0.400 1 1078 154 107 THR CB C 69.385 0.400 1 1079 154 107 THR CG2 C 21.831 0.400 1 1080 155 108 GLY H H 8.082 0.020 1 1081 155 108 GLY HA2 H 4.058 0.020 2 1082 155 108 GLY HA3 H 3.953 0.020 2 1083 155 108 GLY CA C 44.731 0.400 1 1084 155 108 GLY N N 110.186 0.400 1 1085 156 109 ALA HA H 4.269 0.020 1 1086 156 109 ALA HB H 1.365 0.020 1 1087 156 109 ALA CA C 53.547 0.400 1 1088 156 109 ALA CB C 18.725 0.400 1 1089 157 110 HIS H H 7.872 0.020 1 1090 157 110 HIS HA H 5.194 0.020 1 1091 157 110 HIS HB2 H 3.449 0.020 2 1092 157 110 HIS HB3 H 3.120 0.020 2 1093 157 110 HIS HD1 H 12.304 0.020 1 1094 157 110 HIS HD2 H 7.095 0.020 1 1095 157 110 HIS CA C 56.216 0.400 1 1096 157 110 HIS CB C 30.401 0.400 1 1097 157 110 HIS CD2 C 120.138 0.400 1 1098 157 110 HIS N N 115.860 0.400 1 1099 158 111 LEU H H 8.799 0.020 1 1100 158 111 LEU HA H 5.183 0.020 1 1101 158 111 LEU HB2 H 2.122 0.020 2 1102 158 111 LEU HB3 H 1.754 0.020 2 1103 158 111 LEU HG H 1.889 0.020 1 1104 158 111 LEU HD1 H 1.201 0.020 2 1105 158 111 LEU HD2 H 1.523 0.020 2 1106 158 111 LEU CA C 54.289 0.400 1 1107 158 111 LEU CB C 46.068 0.400 1 1108 158 111 LEU CG C 28.313 0.400 1 1109 158 111 LEU CD1 C 25.966 0.400 2 1110 158 111 LEU CD2 C 24.575 0.400 2 1111 158 111 LEU N N 118.724 0.400 1 1112 159 112 HIS H H 7.045 0.020 1 1113 159 112 HIS HA H 6.134 0.020 1 1114 159 112 HIS HB2 H 3.738 0.020 2 1115 159 112 HIS HB3 H 3.219 0.020 2 1116 159 112 HIS HD2 H 6.725 0.020 1 1117 159 112 HIS HE1 H 7.505 0.020 1 1118 159 112 HIS HE2 H 12.958 0.020 1 1119 159 112 HIS CA C 55.589 0.400 1 1120 159 112 HIS CB C 33.795 0.400 1 1121 159 112 HIS CD2 C 118.101 0.400 1 1122 159 112 HIS CE1 C 137.833 0.400 1 1123 159 112 HIS N N 125.440 0.400 1 1124 159 112 HIS NE2 N 167.713 0.400 1 1125 160 113 PHE H H 9.497 0.020 1 1126 160 113 PHE HA H 5.379 0.020 1 1127 160 113 PHE HB2 H 3.044 0.020 1 1128 160 113 PHE HB3 H 3.044 0.020 1 1129 160 113 PHE HD1 H 6.898 0.020 3 1130 160 113 PHE HD2 H 6.898 0.020 3 1131 160 113 PHE HE1 H 7.128 0.020 3 1132 160 113 PHE HE2 H 7.128 0.020 3 1133 160 113 PHE HZ H 6.949 0.020 1 1134 160 113 PHE CA C 56.169 0.400 1 1135 160 113 PHE CB C 43.071 0.400 1 1136 160 113 PHE CD1 C 131.679 0.400 3 1137 160 113 PHE CE1 C 130.742 0.400 3 1138 160 113 PHE CZ C 128.248 0.400 1 1139 160 113 PHE N N 130.362 0.400 1 1140 161 114 GLN H H 8.126 0.020 1 1141 161 114 GLN HA H 4.711 0.020 1 1142 161 114 GLN HB2 H 2.099 0.020 2 1143 161 114 GLN HB3 H 1.972 0.020 2 1144 161 114 GLN HG2 H 2.861 0.020 2 1145 161 114 GLN HG3 H 1.878 0.020 2 1146 161 114 GLN HE21 H 7.979 0.020 2 1147 161 114 GLN HE22 H 6.189 0.020 2 1148 161 114 GLN CA C 53.406 0.400 1 1149 161 114 GLN CB C 33.134 0.400 1 1150 161 114 GLN CG C 32.947 0.400 1 1151 161 114 GLN N N 129.119 0.400 1 1152 161 114 GLN NE2 N 112.821 0.400 1 1153 162 115 ARG H H 9.487 0.020 1 1154 162 115 ARG HA H 5.007 0.020 1 1155 162 115 ARG HB2 H 1.603 0.020 2 1156 162 115 ARG HB3 H 0.838 0.020 2 1157 162 115 ARG HG2 H 1.408 0.020 2 1158 162 115 ARG HG3 H 1.193 0.020 2 1159 162 115 ARG HD2 H 2.391 0.020 2 1160 162 115 ARG HD3 H 1.575 0.020 2 1161 162 115 ARG HE H 8.748 0.020 1 1162 162 115 ARG CA C 55.548 0.400 1 1163 162 115 ARG CB C 33.641 0.400 1 1164 162 115 ARG CG C 30.117 0.400 1 1165 162 115 ARG CD C 43.202 0.400 1 1166 162 115 ARG N N 129.270 0.400 1 1167 162 115 ARG NE N 87.097 0.400 1 1168 163 116 MET H H 9.233 0.020 1 1169 163 116 MET HA H 4.761 0.020 1 1170 163 116 MET HB2 H 2.389 0.020 2 1171 163 116 MET HB3 H 1.565 0.020 2 1172 163 116 MET HG2 H 2.394 0.020 2 1173 163 116 MET HG3 H 1.851 0.020 2 1174 163 116 MET HE H 0.958 0.020 1 1175 163 116 MET CA C 54.154 0.400 1 1176 163 116 MET CB C 35.897 0.400 1 1177 163 116 MET CG C 29.885 0.400 1 1178 163 116 MET CE C 14.234 0.400 1 1179 163 116 MET N N 125.909 0.400 1 1180 164 117 LYS H H 8.335 0.020 1 1181 164 117 LYS HA H 4.318 0.020 1 1182 164 117 LYS HB2 H 1.664 0.020 2 1183 164 117 LYS HB3 H 1.294 0.020 2 1184 164 117 LYS HG2 H 0.791 0.020 2 1185 164 117 LYS HG3 H 0.243 0.020 2 1186 164 117 LYS HD2 H 1.541 0.020 2 1187 164 117 LYS HD3 H 1.389 0.020 2 1188 164 117 LYS HE2 H 2.762 0.020 1 1189 164 117 LYS HE3 H 2.762 0.020 1 1190 164 117 LYS CA C 54.830 0.400 1 1191 164 117 LYS CB C 35.819 0.400 1 1192 164 117 LYS CG C 25.162 0.400 1 1193 164 117 LYS CD C 29.289 0.400 1 1194 164 117 LYS CE C 42.444 0.400 1 1195 164 117 LYS N N 123.737 0.400 1 1196 165 118 GLY H H 9.077 0.020 1 1197 165 118 GLY HA2 H 4.054 0.020 2 1198 165 118 GLY HA3 H 3.613 0.020 2 1199 165 118 GLY CA C 45.425 0.400 1 1200 165 118 GLY N N 114.767 0.400 1 1201 166 119 GLY H H 6.856 0.020 1 1202 166 119 GLY HA2 H 2.974 0.020 2 1203 166 119 GLY HA3 H 1.861 0.020 2 1204 166 119 GLY CA C 42.708 0.400 1 1205 166 119 GLY N N 106.332 0.400 1 1206 167 120 VAL H H 7.149 0.020 1 1207 167 120 VAL HA H 3.541 0.020 1 1208 167 120 VAL HB H 1.378 0.020 1 1209 167 120 VAL HG1 H 0.361 0.020 2 1210 167 120 VAL HG2 H 0.032 0.020 2 1211 167 120 VAL CA C 61.260 0.400 1 1212 167 120 VAL CB C 32.791 0.400 1 1213 167 120 VAL CG1 C 21.941 0.400 2 1214 167 120 VAL CG2 C 19.700 0.400 2 1215 167 120 VAL N N 112.553 0.400 1 1216 168 121 GLY H H 7.159 0.020 1 1217 168 121 GLY HA2 H 4.536 0.020 2 1218 168 121 GLY HA3 H 3.531 0.020 2 1219 168 121 GLY CA C 43.258 0.400 1 1220 168 121 GLY N N 115.374 0.400 1 1221 169 122 ASN HA H 3.651 0.020 1 1222 169 122 ASN HB2 H 2.166 0.020 2 1223 169 122 ASN HB3 H 0.766 0.020 2 1224 169 122 ASN CA C 56.136 0.400 1 1225 169 122 ASN CB C 35.811 0.400 1 1226 170 123 ALA HA H 3.862 0.020 1 1227 170 123 ALA HB H 0.867 0.020 1 1228 170 123 ALA CA C 54.130 0.400 1 1229 170 123 ALA CB C 17.968 0.400 1 1230 171 124 TYR H H 6.885 0.020 1 1231 171 124 TYR HA H 4.370 0.020 1 1232 171 124 TYR HB2 H 3.277 0.020 2 1233 171 124 TYR HB3 H 2.058 0.020 2 1234 171 124 TYR HD1 H 6.644 0.020 3 1235 171 124 TYR HD2 H 6.644 0.020 3 1236 171 124 TYR HE1 H 6.565 0.020 3 1237 171 124 TYR HE2 H 6.565 0.020 3 1238 171 124 TYR CA C 57.103 0.400 1 1239 171 124 TYR CB C 39.400 0.400 1 1240 171 124 TYR CD1 C 132.691 0.400 3 1241 171 124 TYR CE2 C 117.683 0.400 3 1242 171 124 TYR N N 113.165 0.400 1 1243 172 125 ALA H H 7.479 0.020 1 1244 172 125 ALA HA H 4.580 0.020 1 1245 172 125 ALA HB H 1.878 0.020 1 1246 172 125 ALA CA C 53.100 0.400 1 1247 172 125 ALA CB C 20.590 0.400 1 1248 172 125 ALA N N 122.520 0.400 1 1249 173 126 GLU H H 8.314 0.020 1 1250 173 126 GLU HA H 4.409 0.020 1 1251 173 126 GLU HB2 H 1.902 0.020 2 1252 173 126 GLU HB3 H 1.755 0.020 2 1253 173 126 GLU HG2 H 2.069 0.020 2 1254 173 126 GLU HG3 H 1.956 0.020 2 1255 173 126 GLU CA C 53.231 0.400 1 1256 173 126 GLU CB C 33.611 0.400 1 1257 173 126 GLU CG C 35.396 0.400 1 1258 173 126 GLU N N 119.226 0.400 1 1259 174 127 ASP H H 7.806 0.020 1 1260 174 127 ASP HA H 3.388 0.020 1 1261 174 127 ASP HB2 H 2.521 0.020 2 1262 174 127 ASP HB3 H 2.127 0.020 2 1263 174 127 ASP CA C 51.587 0.400 1 1264 174 127 ASP CB C 40.849 0.400 1 1265 174 127 ASP N N 121.442 0.400 1 1266 175 128 PRO HA H 4.888 0.020 1 1267 175 128 PRO HB2 H 2.326 0.020 2 1268 175 128 PRO HB3 H 2.219 0.020 2 1269 175 128 PRO HG2 H 2.258 0.020 2 1270 175 128 PRO HG3 H 1.939 0.020 2 1271 175 128 PRO HD2 H 4.563 0.020 2 1272 175 128 PRO HD3 H 3.831 0.020 2 1273 175 128 PRO CA C 62.467 0.400 1 1274 175 128 PRO CB C 32.613 0.400 1 1275 175 128 PRO CG C 26.815 0.400 1 1276 175 128 PRO CD C 49.759 0.400 1 1277 176 129 LYS H H 8.659 0.020 1 1278 176 129 LYS HA H 4.094 0.020 1 1279 176 129 LYS HB2 H 2.244 0.020 2 1280 176 129 LYS HB3 H 1.935 0.020 2 1281 176 129 LYS HG2 H 1.591 0.020 2 1282 176 129 LYS HG3 H 1.467 0.020 2 1283 176 129 LYS HD2 H 1.892 0.020 2 1284 176 129 LYS HD3 H 1.534 0.020 2 1285 176 129 LYS HE2 H 3.057 0.020 1 1286 176 129 LYS HE3 H 3.057 0.020 1 1287 176 129 LYS CA C 61.529 0.400 1 1288 176 129 LYS CB C 30.580 0.400 1 1289 176 129 LYS CG C 25.404 0.400 1 1290 176 129 LYS CD C 28.611 0.400 1 1291 176 129 LYS CE C 42.548 0.400 1 1292 176 129 LYS N N 124.386 0.400 1 1293 177 130 PRO HA H 4.331 0.020 1 1294 177 130 PRO HB2 H 2.280 0.020 2 1295 177 130 PRO HB3 H 1.803 0.020 2 1296 177 130 PRO HG2 H 2.063 0.020 2 1297 177 130 PRO HG3 H 1.895 0.020 2 1298 177 130 PRO HD2 H 3.565 0.020 2 1299 177 130 PRO HD3 H 3.469 0.020 2 1300 177 130 PRO CA C 66.344 0.400 1 1301 177 130 PRO CB C 30.544 0.400 1 1302 177 130 PRO CG C 28.424 0.400 1 1303 177 130 PRO CD C 49.309 0.400 1 1304 178 131 PHE H H 7.168 0.020 1 1305 178 131 PHE HA H 4.200 0.020 1 1306 178 131 PHE HB2 H 3.248 0.020 2 1307 178 131 PHE HB3 H 3.142 0.020 2 1308 178 131 PHE HD1 H 7.120 0.020 3 1309 178 131 PHE HD2 H 7.120 0.020 3 1310 178 131 PHE HE1 H 7.027 0.020 3 1311 178 131 PHE HE2 H 7.027 0.020 3 1312 178 131 PHE HZ H 6.907 0.020 1 1313 178 131 PHE CA C 60.174 0.400 1 1314 178 131 PHE CB C 39.015 0.400 1 1315 178 131 PHE CD1 C 132.185 0.400 3 1316 178 131 PHE CE2 C 130.110 0.400 3 1317 178 131 PHE CZ C 128.293 0.400 1 1318 178 131 PHE N N 117.445 0.400 1 1319 179 132 ILE H H 8.328 0.020 1 1320 179 132 ILE HA H 3.268 0.020 1 1321 179 132 ILE HB H 2.137 0.020 1 1322 179 132 ILE HG12 H 1.915 0.020 2 1323 179 132 ILE HG13 H 1.291 0.020 2 1324 179 132 ILE HG2 H 0.842 0.020 1 1325 179 132 ILE HD1 H 0.938 0.020 1 1326 179 132 ILE CA C 63.495 0.400 1 1327 179 132 ILE CB C 37.100 0.400 1 1328 179 132 ILE CG1 C 29.031 0.400 1 1329 179 132 ILE CG2 C 16.896 0.400 1 1330 179 132 ILE CD1 C 13.813 0.400 1 1331 179 132 ILE N N 121.346 0.400 1 1332 180 133 ASP H H 8.558 0.020 1 1333 180 133 ASP HA H 4.335 0.020 1 1334 180 133 ASP HB2 H 2.656 0.020 1 1335 180 133 ASP HB3 H 2.656 0.020 1 1336 180 133 ASP CA C 56.548 0.400 1 1337 180 133 ASP CB C 40.357 0.400 1 1338 180 133 ASP N N 117.237 0.400 1 1339 181 134 GLN H H 7.174 0.020 1 1340 181 134 GLN HA H 4.333 0.020 1 1341 181 134 GLN HB2 H 2.071 0.020 1 1342 181 134 GLN HB3 H 2.071 0.020 1 1343 181 134 GLN HG2 H 2.573 0.020 2 1344 181 134 GLN HG3 H 2.289 0.020 2 1345 181 134 GLN HE21 H 7.390 0.020 2 1346 181 134 GLN HE22 H 6.607 0.020 2 1347 181 134 GLN CA C 55.082 0.400 1 1348 181 134 GLN CB C 29.161 0.400 1 1349 181 134 GLN CG C 33.867 0.400 1 1350 181 134 GLN N N 114.824 0.400 1 1351 181 134 GLN NE2 N 112.219 0.400 1 1352 182 135 LEU H H 7.406 0.020 1 1353 182 135 LEU HA H 4.236 0.020 1 1354 182 135 LEU HB2 H 1.817 0.020 2 1355 182 135 LEU HB3 H 1.282 0.020 2 1356 182 135 LEU HG H 1.698 0.020 1 1357 182 135 LEU HD1 H 0.461 0.020 2 1358 182 135 LEU HD2 H 0.357 0.020 2 1359 182 135 LEU CA C 53.975 0.400 1 1360 182 135 LEU CB C 38.842 0.400 1 1361 182 135 LEU CG C 25.615 0.400 1 1362 182 135 LEU CD1 C 26.518 0.400 2 1363 182 135 LEU CD2 C 21.623 0.400 2 1364 182 135 LEU N N 122.900 0.400 1 1365 183 136 PRO HA H 4.115 0.020 1 1366 183 136 PRO HB2 H 2.263 0.020 2 1367 183 136 PRO HB3 H 1.702 0.020 2 1368 183 136 PRO HG2 H 2.043 0.020 2 1369 183 136 PRO HG3 H 1.962 0.020 2 1370 183 136 PRO HD2 H 3.743 0.020 2 1371 183 136 PRO HD3 H 3.593 0.020 2 1372 183 136 PRO CA C 66.032 0.400 1 1373 183 136 PRO CB C 31.954 0.400 1 1374 183 136 PRO CG C 27.773 0.400 1 1375 183 136 PRO CD C 50.086 0.400 1 1376 184 137 ASP H H 7.602 0.020 1 1377 184 137 ASP HA H 4.962 0.020 1 1378 184 137 ASP HB2 H 2.586 0.020 2 1379 184 137 ASP HB3 H 2.071 0.020 2 1380 184 137 ASP CA C 52.364 0.400 1 1381 184 137 ASP CB C 41.514 0.400 1 1382 184 137 ASP N N 114.141 0.400 1 1383 185 138 GLY H H 7.656 0.020 1 1384 185 138 GLY HA2 H 4.053 0.020 2 1385 185 138 GLY HA3 H 3.830 0.020 2 1386 185 138 GLY CA C 46.179 0.400 1 1387 185 138 GLY N N 110.227 0.400 1 1388 186 139 GLU H H 8.887 0.020 1 1389 186 139 GLU HA H 3.788 0.020 1 1390 186 139 GLU HB2 H 2.334 0.020 2 1391 186 139 GLU HB3 H 2.136 0.020 2 1392 186 139 GLU HG2 H 2.468 0.020 2 1393 186 139 GLU HG3 H 2.130 0.020 2 1394 186 139 GLU CA C 58.953 0.400 1 1395 186 139 GLU CB C 30.097 0.400 1 1396 186 139 GLU CG C 36.318 0.400 1 1397 186 139 GLU N N 123.138 0.400 1 1398 187 140 ARG H H 7.183 0.020 1 1399 187 140 ARG HA H 3.258 0.020 1 1400 187 140 ARG HB2 H 1.935 0.020 2 1401 187 140 ARG HB3 H 1.782 0.020 2 1402 187 140 ARG HG2 H 1.597 0.020 2 1403 187 140 ARG HG3 H 1.441 0.020 2 1404 187 140 ARG HD2 H 3.208 0.020 2 1405 187 140 ARG HD3 H 3.154 0.020 2 1406 187 140 ARG CA C 57.314 0.400 1 1407 187 140 ARG CB C 28.457 0.400 1 1408 187 140 ARG CG C 28.834 0.400 1 1409 187 140 ARG CD C 43.156 0.400 1 1410 187 140 ARG N N 115.803 0.400 1 1411 188 141 SER H H 7.777 0.020 1 1412 188 141 SER HA H 4.178 0.020 1 1413 188 141 SER HB2 H 3.820 0.020 1 1414 188 141 SER HB3 H 3.820 0.020 1 1415 188 141 SER CA C 61.420 0.400 1 1416 188 141 SER CB C 63.981 0.400 1 1417 188 141 SER N N 115.001 0.400 1 1418 189 142 LEU H H 7.457 0.020 1 1419 189 142 LEU HA H 4.553 0.020 1 1420 189 142 LEU HB2 H 1.374 0.020 1 1421 189 142 LEU HB3 H 1.374 0.020 1 1422 189 142 LEU HG H 1.218 0.020 1 1423 189 142 LEU HD1 H 0.474 0.020 2 1424 189 142 LEU HD2 H 0.391 0.020 2 1425 189 142 LEU CA C 55.217 0.400 1 1426 189 142 LEU CB C 44.628 0.400 1 1427 189 142 LEU CG C 28.178 0.400 1 1428 189 142 LEU CD1 C 25.853 0.400 2 1429 189 142 LEU CD2 C 25.117 0.400 2 1430 189 142 LEU N N 118.318 0.400 1 1431 190 143 TYR H H 6.521 0.020 1 1432 190 143 TYR HA H 5.414 0.020 1 1433 190 143 TYR HB2 H 2.695 0.020 2 1434 190 143 TYR HB3 H 2.609 0.020 2 1435 190 143 TYR HD1 H 6.363 0.020 3 1436 190 143 TYR HD2 H 6.363 0.020 3 1437 190 143 TYR HE1 H 6.389 0.020 3 1438 190 143 TYR HE2 H 6.389 0.020 3 1439 190 143 TYR CA C 55.365 0.400 1 1440 190 143 TYR CB C 40.569 0.400 1 1441 190 143 TYR CD1 C 133.862 0.400 3 1442 190 143 TYR CE2 C 116.870 0.400 3 1443 190 143 TYR N N 111.906 0.400 1 1444 191 144 ASP H H 7.940 0.020 1 1445 191 144 ASP HA H 5.030 0.020 1 1446 191 144 ASP HB2 H 2.815 0.020 2 1447 191 144 ASP HB3 H 2.124 0.020 2 1448 191 144 ASP CA C 52.970 0.400 1 1449 191 144 ASP CB C 43.220 0.400 1 1450 191 144 ASP N N 120.718 0.400 1 1451 192 145 LEU H H 7.793 0.020 1 1452 192 145 LEU HA H 4.322 0.020 1 1453 192 145 LEU HB2 H 1.743 0.020 2 1454 192 145 LEU HB3 H 1.525 0.020 2 1455 192 145 LEU HG H 1.678 0.020 1 1456 192 145 LEU HD1 H 0.852 0.020 2 1457 192 145 LEU HD2 H 0.876 0.020 2 1458 192 145 LEU CA C 56.915 0.400 1 1459 192 145 LEU CB C 45.918 0.400 1 1460 192 145 LEU CG C 27.656 0.400 1 1461 192 145 LEU CD1 C 25.360 0.400 2 1462 192 145 LEU CD2 C 24.794 0.400 2 1463 192 145 LEU N N 128.913 0.400 1 stop_ save_