data_27506 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical shift assignment of the viral protein genome-linked (VPg) from Potato virus Y ; _BMRB_accession_number 27506 _BMRB_flat_file_name bmr27506.str _Entry_type original _Submission_date 2018-06-05 _Accession_date 2018-06-05 _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 'Coutinho de Oliveira' Luciana . . 2 Volpon Laurent . . 3 Osborne Michael J. . 4 Borden Katherine L.B. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 571 "13C chemical shifts" 481 "15N chemical shifts" 123 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-04-11 update BMRB 'update entry citation' 2019-01-11 update author 'update ambiguity codes' 2018-12-19 update author 'update assignments' 2018-10-03 original author 'original release' stop_ _Original_release_date 2018-06-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Chemical shift assignment of the viral protein genome-linked (VPg) from potato virus Y ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30242622 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'Coutinho de Oliveira' Luciana . . 2 Volpon Laurent . . 3 Osborne Michael J. . 4 Borden Katherine L.B. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 13 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9 _Page_last 13 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name VPg _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label VPg(-37) $VPg_from_potato_virus_Y stop_ _System_molecular_weight 17419.73 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_VPg_from_potato_virus_Y _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common VPg_from_potato_virus_Y _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'plant virus' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 153 _Mol_residue_sequence ; GSSAYRKKGKGKGTTVGMGK SSRRFINMYGFDPTEYSFIQ FVDPLTGAQIEENVYADIRD IQERFSEVRKKMVENDDIEM QALGSNTTIHAYFRKDWSDK ALKIDLMPHNPLKVCDKTNG IAKFPERELELRQTGPAVEV DVKDIPAQEVEHE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 36 GLY 2 37 SER 3 38 SER 4 39 ALA 5 40 TYR 6 41 ARG 7 42 LYS 8 43 LYS 9 44 GLY 10 45 LYS 11 46 GLY 12 47 LYS 13 48 GLY 14 49 THR 15 50 THR 16 51 VAL 17 52 GLY 18 53 MET 19 54 GLY 20 55 LYS 21 56 SER 22 57 SER 23 58 ARG 24 59 ARG 25 60 PHE 26 61 ILE 27 62 ASN 28 63 MET 29 64 TYR 30 65 GLY 31 66 PHE 32 67 ASP 33 68 PRO 34 69 THR 35 70 GLU 36 71 TYR 37 72 SER 38 73 PHE 39 74 ILE 40 75 GLN 41 76 PHE 42 77 VAL 43 78 ASP 44 79 PRO 45 80 LEU 46 81 THR 47 82 GLY 48 83 ALA 49 84 GLN 50 85 ILE 51 86 GLU 52 87 GLU 53 88 ASN 54 89 VAL 55 90 TYR 56 91 ALA 57 92 ASP 58 93 ILE 59 94 ARG 60 95 ASP 61 96 ILE 62 97 GLN 63 98 GLU 64 99 ARG 65 100 PHE 66 101 SER 67 102 GLU 68 103 VAL 69 104 ARG 70 105 LYS 71 106 LYS 72 107 MET 73 108 VAL 74 109 GLU 75 110 ASN 76 111 ASP 77 112 ASP 78 113 ILE 79 114 GLU 80 115 MET 81 116 GLN 82 117 ALA 83 118 LEU 84 119 GLY 85 120 SER 86 121 ASN 87 122 THR 88 123 THR 89 124 ILE 90 125 HIS 91 126 ALA 92 127 TYR 93 128 PHE 94 129 ARG 95 130 LYS 96 131 ASP 97 132 TRP 98 133 SER 99 134 ASP 100 135 LYS 101 136 ALA 102 137 LEU 103 138 LYS 104 139 ILE 105 140 ASP 106 141 LEU 107 142 MET 108 143 PRO 109 144 HIS 110 145 ASN 111 146 PRO 112 147 LEU 113 148 LYS 114 149 VAL 115 150 CYS 116 151 ASP 117 152 LYS 118 153 THR 119 154 ASN 120 155 GLY 121 156 ILE 122 157 ALA 123 158 LYS 124 159 PHE 125 160 PRO 126 161 GLU 127 162 ARG 128 163 GLU 129 164 LEU 130 165 GLU 131 166 LEU 132 167 ARG 133 168 GLN 134 169 THR 135 170 GLY 136 171 PRO 137 172 ALA 138 173 VAL 139 174 GLU 140 175 VAL 141 176 ASP 142 177 VAL 143 178 LYS 144 179 ASP 145 180 ILE 146 181 PRO 147 182 ALA 148 183 GLN 149 184 GLU 150 185 VAL 151 186 GLU 152 187 HIS 153 188 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $VPg_from_potato_virus_Y 'potato virus Y' 12216 Viruses . Potyvirus . 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 $VPg_from_potato_virus_Y 'recombinant technology' . Escherichia coli BL21(DE3) pET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_VPg(-37)-15N13C-H2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $VPg_from_potato_virus_Y 400 uM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 0.02 '% v/v' 'natural abundance' stop_ save_ save_VPg(-37)-2H15N13C-H2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $VPg_from_potato_virus_Y 400 uM '[U-13C; U-15N; U-2H]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 0.02 '% v/v' 'natural abundance' stop_ save_ save_VPg(-37)-2H15N13C-D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $VPg_from_potato_virus_Y 400 uM '[U-13C; U-15N; U-2H]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 0.02 '% v/v' 'natural abundance' stop_ save_ save_VPg(-37)-15N13C-D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $VPg_from_potato_virus_Y 400 uM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 0.02 '% v/v' 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_800 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $VPg(-37)-15N13C-H2O save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $VPg(-37)-2H15N13C-H2O save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $VPg(-37)-2H15N13C-H2O save_ save_2D_1H-13C_HSQC_aliphatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $VPg(-37)-15N13C-D2O save_ save_2D_1H-13C_HSQC_aromatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $VPg(-37)-15N13C-D2O save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $VPg(-37)-15N13C-H2O save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $VPg(-37)-15N13C-H2O save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $VPg(-37)-15N13C-H2O save_ save_3D_CBCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $VPg(-37)-15N13C-H2O save_ save_3D_HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $VPg(-37)-15N13C-H2O save_ save_3D_HN(CA)CO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $VPg(-37)-15N13C-H2O save_ save_3D_HNCACB_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $VPg(-37)-2H15N13C-H2O save_ save_3D_CBCA(CO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $VPg(-37)-2H15N13C-H2O save_ save_3D_HNCO_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $VPg(-37)-2H15N13C-H2O save_ save_3D_HN(CA)CO_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $VPg(-37)-2H15N13C-H2O save_ save_3D_HCCH-TOCSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $VPg(-37)-2H15N13C-D2O save_ save_3D_H(CCO)NH_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $VPg(-37)-15N13C-H2O save_ save_3D_C(CO)NH_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $VPg(-37)-2H15N13C-H2O save_ save_3D_1H-15N_NOESY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $VPg(-37)-15N13C-H2O save_ save_3D_1H-13C_NOESY_aromatic_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $VPg(-37)-2H15N13C-D2O save_ save_3D_(H)N(COCA)NH_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)N(COCA)NH' _Sample_label $VPg(-37)-2H15N13C-H2O save_ ####################### # Sample conditions # ####################### save_sample_condition _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 . pH pressure 1 . atm temperature 273 . 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 0.0 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 external 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 HNCA' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HN(CA)CO' '3D HCCH-TOCSY' '3D H(CCO)NH' '3D C(CO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY aromatic' '3D (H)N(COCA)NH' stop_ loop_ _Sample_label $VPg(-37)-15N13C-H2O $VPg(-37)-2H15N13C-H2O $VPg(-37)-2H15N13C-D2O stop_ _Sample_conditions_label $sample_condition _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name VPg(-37) _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 39 4 ALA HA H 4.239 . 1 2 39 4 ALA HB H 1.284 . 1 3 39 4 ALA C C 177.555 . 1 4 39 4 ALA CA C 52.915 . 1 5 39 4 ALA CB C 19.061 . 1 6 40 5 TYR H H 8.036 . 1 7 40 5 TYR HA H 4.479 . 1 8 40 5 TYR HB2 H 2.952 . 2 9 40 5 TYR HB3 H 2.977 . 2 10 40 5 TYR C C 175.713 . 1 11 40 5 TYR CA C 58.161 . 1 12 40 5 TYR CB C 38.461 . 1 13 40 5 TYR N N 119.047 . 1 14 41 6 ARG H H 8.006 . 1 15 41 6 ARG HA H 4.239 . 1 16 41 6 ARG HB2 H 1.664 . 2 17 41 6 ARG HB3 H 1.754 . 2 18 41 6 ARG HG2 H 1.504 . 2 19 41 6 ARG HG3 H 1.504 . 2 20 41 6 ARG HD2 H 3.116 . 2 21 41 6 ARG HD3 H 3.116 . 2 22 41 6 ARG C C 175.761 . 1 23 41 6 ARG CA C 55.945 . 1 24 41 6 ARG CB C 30.844 . 1 25 41 6 ARG CG C 27.081 . 1 26 41 6 ARG CD C 43.296 . 1 27 41 6 ARG N N 123.087 . 1 28 42 7 LYS H H 8.230 . 1 29 42 7 LYS HA H 4.224 . 1 30 42 7 LYS HB2 H 1.704 . 2 31 42 7 LYS HB3 H 1.804 . 2 32 42 7 LYS HG2 H 1.420 . 2 33 42 7 LYS HG3 H 1.420 . 2 34 42 7 LYS C C 176.553 . 1 35 42 7 LYS CA C 56.539 . 1 36 42 7 LYS CB C 32.914 . 1 37 42 7 LYS CG C 24.843 . 1 38 42 7 LYS CD C 29.121 . 1 39 42 7 LYS CE C 42.201 . 1 40 42 7 LYS N N 122.863 . 1 41 43 8 LYS H H 8.388 . 1 42 43 8 LYS HA H 4.289 . 1 43 43 8 LYS HB2 H 1.755 . 2 44 43 8 LYS HB3 H 1.804 . 2 45 43 8 LYS HG2 H 1.420 . 2 46 43 8 LYS HG3 H 1.420 . 2 47 43 8 LYS C C 177.032 . 1 48 43 8 LYS CA C 56.627 . 1 49 43 8 LYS CB C 32.999 . 1 50 43 8 LYS N N 122.994 . 1 51 44 9 GLY H H 8.484 . 1 52 44 9 GLY CA C 45.274 . 1 53 44 9 GLY N N 110.439 . 1 54 48 13 GLY C C 174.321 . 1 55 48 13 GLY CA C 45.376 . 1 56 49 14 THR H H 8.171 . 1 57 49 14 THR HA H 4.249 . 1 58 49 14 THR HG2 H 1.210 . 1 59 49 14 THR C C 174.907 . 1 60 49 14 THR CA C 61.779 . 1 61 49 14 THR CB C 69.938 . 1 62 49 14 THR N N 113.864 . 1 63 50 15 THR H H 8.304 . 1 64 50 15 THR HA H 4.420 . 1 65 50 15 THR HB H 4.241 . 1 66 50 15 THR HG2 H 1.192 . 1 67 50 15 THR C C 174.684 . 1 68 50 15 THR CA C 61.926 . 1 69 50 15 THR CB C 69.807 . 1 70 50 15 THR CG2 C 21.726 . 1 71 50 15 THR N N 116.881 . 1 72 51 16 VAL H H 8.236 . 1 73 51 16 VAL HA H 4.108 . 1 74 51 16 VAL HB H 2.062 . 1 75 51 16 VAL HG1 H 0.934 . 2 76 51 16 VAL HG2 H 0.941 . 2 77 51 16 VAL C C 176.649 . 1 78 51 16 VAL CA C 62.713 . 1 79 51 16 VAL CB C 32.730 . 1 80 51 16 VAL CG1 C 20.998 . 2 81 51 16 VAL N N 122.850 . 1 82 52 17 GLY H H 8.537 . 1 83 52 17 GLY C C 174.231 . 1 84 52 17 GLY CA C 45.397 . 1 85 52 17 GLY N N 112.524 . 1 86 70 35 GLU H H 7.693 . 1 87 70 35 GLU C C 175.796 . 1 88 70 35 GLU CA C 57.133 . 1 89 70 35 GLU CB C 30.026 . 1 90 70 35 GLU N N 118.148 . 1 91 71 36 TYR H H 7.877 . 1 92 71 36 TYR HD1 H 6.936 . 3 93 71 36 TYR HD2 H 6.936 . 3 94 71 36 TYR HE1 H 6.743 . 3 95 71 36 TYR HE2 H 6.743 . 3 96 71 36 TYR C C 173.730 . 1 97 71 36 TYR CA C 58.913 . 1 98 71 36 TYR CB C 38.698 . 1 99 71 36 TYR CD1 C 133.568 . 3 100 71 36 TYR N N 118.373 . 1 101 72 37 SER H H 9.289 . 1 102 72 37 SER HA H 4.721 . 1 103 72 37 SER HB2 H 3.787 . 2 104 72 37 SER HB3 H 4.184 . 2 105 72 37 SER C C 174.933 . 1 106 72 37 SER CA C 60.509 . 1 107 72 37 SER CB C 64.118 . 1 108 72 37 SER N N 114.503 . 1 109 73 38 PHE H H 8.015 . 1 110 73 38 PHE HB2 H 3.003 . 2 111 73 38 PHE HB3 H 3.306 . 2 112 73 38 PHE HD1 H 6.898 . 3 113 73 38 PHE HD2 H 6.898 . 3 114 73 38 PHE HE1 H 6.800 . 3 115 73 38 PHE HE2 H 6.800 . 3 116 73 38 PHE CA C 56.951 . 1 117 73 38 PHE CB C 38.876 . 1 118 73 38 PHE N N 115.979 . 1 119 74 39 ILE H H 9.107 . 1 120 74 39 ILE HA H 4.070 . 1 121 74 39 ILE HB H 0.855 . 1 122 74 39 ILE HG2 H -0.955 . 1 123 74 39 ILE HD1 H 0.532 . 1 124 74 39 ILE C C 174.063 . 1 125 74 39 ILE CA C 59.690 . 1 126 74 39 ILE CB C 40.546 . 1 127 74 39 ILE CG1 C 26.758 . 1 128 74 39 ILE CG2 C 16.472 . 1 129 74 39 ILE CD1 C 15.985 . 1 130 74 39 ILE N N 118.147 . 1 131 75 40 GLN H H 8.925 . 1 132 75 40 GLN HA H 4.917 . 1 133 75 40 GLN HB2 H 2.157 . 2 134 75 40 GLN HB3 H 1.851 . 2 135 75 40 GLN C C 174.834 . 1 136 75 40 GLN CA C 53.888 . 1 137 75 40 GLN CB C 30.433 . 1 138 75 40 GLN CG C 32.499 . 1 139 75 40 GLN N N 127.893 . 1 140 76 41 PHE H H 9.855 . 1 141 76 41 PHE HA H 5.508 . 1 142 76 41 PHE HB2 H 3.274 . 2 143 76 41 PHE HB3 H 3.274 . 2 144 76 41 PHE HD1 H 7.087 . 3 145 76 41 PHE HD2 H 7.087 . 3 146 76 41 PHE HE1 H 6.917 . 3 147 76 41 PHE HE2 H 6.917 . 3 148 76 41 PHE C C 176.475 . 1 149 76 41 PHE CA C 57.728 . 1 150 76 41 PHE CB C 41.388 . 1 151 76 41 PHE CE1 C 132.960 . 3 152 76 41 PHE N N 126.317 . 1 153 77 42 VAL H H 9.693 . 1 154 77 42 VAL HA H 4.972 . 1 155 77 42 VAL HB H 2.219 . 1 156 77 42 VAL HG1 H 0.976 . 2 157 77 42 VAL HG2 H 0.836 . 2 158 77 42 VAL C C 173.926 . 1 159 77 42 VAL CA C 61.136 . 1 160 77 42 VAL CB C 36.937 . 1 161 77 42 VAL CG1 C 20.869 . 2 162 77 42 VAL CG2 C 20.584 . 2 163 77 42 VAL N N 121.896 . 1 164 78 43 ASP H H 8.290 . 1 165 78 43 ASP HA H 4.770 . 1 166 78 43 ASP HB2 H 2.564 . 2 167 78 43 ASP HB3 H 2.564 . 2 168 78 43 ASP C C 175.261 . 1 169 78 43 ASP CA C 49.400 . 1 170 78 43 ASP CB C 40.389 . 1 171 78 43 ASP N N 126.767 . 1 172 79 44 PRO C C 178.152 . 1 173 79 44 PRO CA C 63.699 . 1 174 79 44 PRO CB C 32.048 . 1 175 80 45 LEU H H 7.944 . 1 176 80 45 LEU HA H 4.216 . 1 177 80 45 LEU HB2 H 1.827 . 2 178 80 45 LEU HB3 H 1.827 . 2 179 80 45 LEU HD1 H 0.903 . 2 180 80 45 LEU HD2 H 0.807 . 2 181 80 45 LEU C C 177.432 . 1 182 80 45 LEU CA C 57.331 . 1 183 80 45 LEU CB C 42.200 . 1 184 80 45 LEU CG C 27.018 . 1 185 80 45 LEU CD1 C 23.203 . 2 186 80 45 LEU CD2 C 25.456 . 2 187 80 45 LEU N N 118.896 . 1 188 81 46 THR H H 6.664 . 1 189 81 46 THR HA H 4.158 . 1 190 81 46 THR HB H 4.341 . 1 191 81 46 THR HG2 H 1.128 . 1 192 81 46 THR C C 176.120 . 1 193 81 46 THR CA C 61.109 . 1 194 81 46 THR CB C 70.628 . 1 195 81 46 THR CG2 C 23.208 . 1 196 81 46 THR N N 103.263 . 1 197 82 47 GLY H H 8.832 . 1 198 82 47 GLY HA2 H 4.187 . 2 199 82 47 GLY HA3 H 3.599 . 2 200 82 47 GLY C C 173.898 . 1 201 82 47 GLY CA C 45.253 . 1 202 82 47 GLY N N 112.386 . 1 203 83 48 ALA H H 7.985 . 1 204 83 48 ALA HA H 4.290 . 1 205 83 48 ALA HB H 1.551 . 1 206 83 48 ALA C C 175.207 . 1 207 83 48 ALA CA C 53.112 . 1 208 83 48 ALA CB C 19.665 . 1 209 83 48 ALA N N 124.064 . 1 210 84 49 GLN H H 8.308 . 1 211 84 49 GLN HA H 6.017 . 1 212 84 49 GLN HB2 H 2.239 . 2 213 84 49 GLN HB3 H 2.239 . 2 214 84 49 GLN HG2 H 2.597 . 2 215 84 49 GLN HG3 H 2.411 . 2 216 84 49 GLN HE21 H 7.688 . 2 217 84 49 GLN HE22 H 6.646 . 2 218 84 49 GLN C C 176.284 . 1 219 84 49 GLN CA C 54.115 . 1 220 84 49 GLN CB C 32.291 . 1 221 84 49 GLN CG C 34.184 . 1 222 84 49 GLN N N 116.040 . 1 223 84 49 GLN NE2 N 110.393 . 1 224 85 50 ILE H H 9.177 . 1 225 85 50 ILE HA H 4.258 . 1 226 85 50 ILE HB H 1.335 . 1 227 85 50 ILE HG12 H 0.872 . 2 228 85 50 ILE HG13 H 0.872 . 2 229 85 50 ILE HG2 H 0.782 . 1 230 85 50 ILE HD1 H 0.006 . 1 231 85 50 ILE C C 174.168 . 1 232 85 50 ILE CA C 61.331 . 1 233 85 50 ILE CB C 43.998 . 1 234 85 50 ILE CG1 C 28.137 . 1 235 85 50 ILE CG2 C 17.746 . 1 236 85 50 ILE CD1 C 14.588 . 1 237 85 50 ILE N N 122.883 . 1 238 86 51 GLU H H 8.793 . 1 239 86 51 GLU HA H 5.648 . 1 240 86 51 GLU HB2 H 1.959 . 2 241 86 51 GLU HB3 H 1.768 . 2 242 86 51 GLU HG2 H 2.340 . 2 243 86 51 GLU HG3 H 2.340 . 2 244 86 51 GLU C C 175.819 . 1 245 86 51 GLU CA C 54.866 . 1 246 86 51 GLU CB C 31.023 . 1 247 86 51 GLU CG C 36.997 . 1 248 86 51 GLU N N 128.206 . 1 249 87 52 GLU H H 9.421 . 1 250 87 52 GLU C C 174.928 . 1 251 87 52 GLU CA C 54.304 . 1 252 87 52 GLU N N 127.088 . 1 253 88 53 ASN H H 9.091 . 1 254 88 53 ASN HA H 4.801 . 1 255 88 53 ASN HB2 H 3.155 . 2 256 88 53 ASN HB3 H 2.821 . 2 257 88 53 ASN HD21 H 7.913 . 2 258 88 53 ASN HD22 H 7.113 . 2 259 88 53 ASN C C 175.122 . 1 260 88 53 ASN CA C 53.521 . 1 261 88 53 ASN CB C 39.913 . 1 262 88 53 ASN N N 117.398 . 1 263 88 53 ASN ND2 N 114.745 . 1 264 89 54 VAL H H 7.995 . 1 265 89 54 VAL HB H 2.049 . 1 266 89 54 VAL HG1 H 0.439 . 2 267 89 54 VAL HG2 H 0.785 . 2 268 89 54 VAL C C 175.501 . 1 269 89 54 VAL CA C 64.064 . 1 270 89 54 VAL CB C 31.329 . 1 271 89 54 VAL CG1 C 18.159 . 2 272 89 54 VAL CG2 C 20.996 . 2 273 89 54 VAL N N 110.705 . 1 274 90 55 TYR H H 7.791 . 1 275 90 55 TYR HA H 4.632 . 1 276 90 55 TYR HB2 H 3.267 . 2 277 90 55 TYR HB3 H 2.808 . 2 278 90 55 TYR HD1 H 6.909 . 3 279 90 55 TYR HD2 H 6.909 . 3 280 90 55 TYR HE1 H 6.732 . 3 281 90 55 TYR HE2 H 6.732 . 3 282 90 55 TYR C C 175.455 . 1 283 90 55 TYR CA C 56.401 . 1 284 90 55 TYR CB C 36.822 . 1 285 90 55 TYR CD1 C 133.013 . 3 286 90 55 TYR CD2 C 133.013 . 3 287 90 55 TYR CE1 C 117.986 . 3 288 90 55 TYR N N 117.023 . 1 289 91 56 ALA H H 7.403 . 1 290 91 56 ALA HA H 4.084 . 1 291 91 56 ALA HB H 1.454 . 1 292 91 56 ALA C C 176.491 . 1 293 91 56 ALA CA C 53.034 . 1 294 91 56 ALA CB C 19.372 . 1 295 91 56 ALA N N 122.693 . 1 296 92 57 ASP H H 8.721 . 1 297 92 57 ASP HA H 4.683 . 1 298 92 57 ASP HB2 H 2.961 . 2 299 92 57 ASP HB3 H 2.636 . 2 300 92 57 ASP C C 177.566 . 1 301 92 57 ASP CA C 53.286 . 1 302 92 57 ASP CB C 41.370 . 1 303 92 57 ASP N N 121.188 . 1 304 93 58 ILE H H 8.566 . 1 305 93 58 ILE HA H 3.711 . 1 306 93 58 ILE HB H 1.922 . 1 307 93 58 ILE HG12 H 1.452 . 2 308 93 58 ILE HG13 H 1.402 . 2 309 93 58 ILE HG2 H 0.984 . 1 310 93 58 ILE HD1 H 0.862 . 1 311 93 58 ILE C C 176.708 . 1 312 93 58 ILE CA C 62.031 . 1 313 93 58 ILE CB C 37.901 . 1 314 93 58 ILE CG1 C 28.684 . 1 315 93 58 ILE CG2 C 18.968 . 1 316 93 58 ILE CD1 C 13.478 . 1 317 93 58 ILE N N 127.139 . 1 318 94 59 ARG H H 8.407 . 1 319 94 59 ARG HA H 4.098 . 1 320 94 59 ARG HB2 H 1.856 . 2 321 94 59 ARG HB3 H 1.856 . 2 322 94 59 ARG C C 179.047 . 1 323 94 59 ARG CA C 59.199 . 1 324 94 59 ARG CB C 29.278 . 1 325 94 59 ARG CG C 27.057 . 1 326 94 59 ARG N N 121.634 . 1 327 95 60 ASP H H 7.385 . 1 328 95 60 ASP HA H 4.368 . 1 329 95 60 ASP HB2 H 2.773 . 2 330 95 60 ASP HB3 H 2.773 . 2 331 95 60 ASP C C 177.990 . 1 332 95 60 ASP CA C 56.831 . 1 333 95 60 ASP CB C 41.185 . 1 334 95 60 ASP N N 119.374 . 1 335 96 61 ILE H H 7.122 . 1 336 96 61 ILE HA H 3.135 . 1 337 96 61 ILE HB H 1.673 . 1 338 96 61 ILE HG12 H 1.031 . 2 339 96 61 ILE HG13 H 1.031 . 2 340 96 61 ILE HG2 H -0.080 . 1 341 96 61 ILE HD1 H 0.154 . 1 342 96 61 ILE C C 177.148 . 1 343 96 61 ILE CA C 62.414 . 1 344 96 61 ILE CB C 35.477 . 1 345 96 61 ILE CG1 C 26.305 . 1 346 96 61 ILE CG2 C 17.312 . 1 347 96 61 ILE CD1 C 10.818 . 1 348 96 61 ILE N N 119.301 . 1 349 97 62 GLN H H 8.256 . 1 350 97 62 GLN HA H 3.904 . 1 351 97 62 GLN HB2 H 2.177 . 2 352 97 62 GLN HB3 H 2.099 . 2 353 97 62 GLN HG2 H 1.906 . 2 354 97 62 GLN HG3 H 1.906 . 2 355 97 62 GLN C C 179.133 . 1 356 97 62 GLN CA C 59.809 . 1 357 97 62 GLN CB C 29.295 . 1 358 97 62 GLN CG C 32.521 . 1 359 97 62 GLN N N 117.616 . 1 360 98 63 GLU H H 8.070 . 1 361 98 63 GLU HA H 4.054 . 1 362 98 63 GLU HB2 H 2.143 . 2 363 98 63 GLU HB3 H 2.143 . 2 364 98 63 GLU HG2 H 2.357 . 2 365 98 63 GLU HG3 H 2.357 . 2 366 98 63 GLU C C 179.426 . 1 367 98 63 GLU CA C 59.649 . 1 368 98 63 GLU CB C 29.249 . 1 369 98 63 GLU CG C 36.165 . 1 370 98 63 GLU N N 120.678 . 1 371 99 64 ARG H H 8.052 . 1 372 99 64 ARG C C 180.955 . 1 373 99 64 ARG CA C 59.783 . 1 374 99 64 ARG CB C 30.556 . 1 375 99 64 ARG N N 120.587 . 1 376 100 65 PHE H H 8.481 . 1 377 100 65 PHE HD1 H 7.092 . 3 378 100 65 PHE HD2 H 7.092 . 3 379 100 65 PHE C C 180.369 . 1 380 100 65 PHE CA C 58.897 . 1 381 100 65 PHE CB C 37.540 . 1 382 100 65 PHE N N 118.339 . 1 383 101 66 SER H H 8.774 . 1 384 101 66 SER C C 176.474 . 1 385 101 66 SER CA C 62.452 . 1 386 101 66 SER N N 118.914 . 1 387 102 67 GLU H H 7.941 . 1 388 102 67 GLU HA H 4.097 . 1 389 102 67 GLU HB2 H 2.245 . 2 390 102 67 GLU HB3 H 2.197 . 2 391 102 67 GLU HG2 H 2.439 . 2 392 102 67 GLU HG3 H 2.378 . 2 393 102 67 GLU C C 179.160 . 1 394 102 67 GLU CA C 59.484 . 1 395 102 67 GLU CB C 29.397 . 1 396 102 67 GLU CG C 36.131 . 1 397 102 67 GLU N N 121.836 . 1 398 103 68 VAL H H 7.436 . 1 399 103 68 VAL HA H 3.743 . 1 400 103 68 VAL HB H 2.225 . 1 401 103 68 VAL HG1 H 1.042 . 2 402 103 68 VAL HG2 H 1.169 . 2 403 103 68 VAL C C 178.701 . 1 404 103 68 VAL CA C 66.498 . 1 405 103 68 VAL CB C 31.985 . 1 406 103 68 VAL CG1 C 21.806 . 2 407 103 68 VAL CG2 C 21.852 . 2 408 103 68 VAL N N 119.649 . 1 409 104 69 ARG H H 8.050 . 1 410 104 69 ARG HA H 3.768 . 1 411 104 69 ARG C C 177.810 . 1 412 104 69 ARG CA C 60.763 . 1 413 104 69 ARG CB C 30.328 . 1 414 104 69 ARG N N 118.463 . 1 415 105 70 LYS H H 8.242 . 1 416 105 70 LYS HA H 3.916 . 1 417 105 70 LYS HB2 H 1.892 . 2 418 105 70 LYS HB3 H 1.892 . 2 419 105 70 LYS HG2 H 1.529 . 2 420 105 70 LYS HG3 H 1.529 . 2 421 105 70 LYS C C 178.880 . 1 422 105 70 LYS CA C 59.846 . 1 423 105 70 LYS CB C 32.449 . 1 424 105 70 LYS CG C 25.195 . 1 425 105 70 LYS CD C 29.297 . 1 426 105 70 LYS CE C 41.995 . 1 427 105 70 LYS N N 117.821 . 1 428 106 71 LYS H H 7.683 . 1 429 106 71 LYS HA H 4.136 . 1 430 106 71 LYS HB2 H 1.997 . 2 431 106 71 LYS HB3 H 1.966 . 2 432 106 71 LYS HG2 H 1.608 . 2 433 106 71 LYS HG3 H 1.516 . 2 434 106 71 LYS HD2 H 1.719 . 2 435 106 71 LYS HD3 H 1.719 . 2 436 106 71 LYS HE2 H 2.992 . 2 437 106 71 LYS HE3 H 2.992 . 2 438 106 71 LYS C C 178.848 . 1 439 106 71 LYS CA C 58.700 . 1 440 106 71 LYS CB C 32.221 . 1 441 106 71 LYS CG C 24.958 . 1 442 106 71 LYS CD C 29.012 . 1 443 106 71 LYS CE C 42.127 . 1 444 106 71 LYS N N 118.710 . 1 445 107 72 MET H H 8.067 . 1 446 107 72 MET HA H 4.352 . 1 447 107 72 MET HB2 H 2.874 . 2 448 107 72 MET HB3 H 2.652 . 2 449 107 72 MET C C 178.529 . 1 450 107 72 MET CA C 59.136 . 1 451 107 72 MET CB C 33.148 . 1 452 107 72 MET N N 118.070 . 1 453 108 73 VAL H H 8.239 . 1 454 108 73 VAL HA H 4.197 . 1 455 108 73 VAL HB H 2.230 . 1 456 108 73 VAL HG1 H 1.010 . 2 457 108 73 VAL HG2 H 0.993 . 2 458 108 73 VAL C C 179.450 . 1 459 108 73 VAL CA C 64.863 . 1 460 108 73 VAL CB C 31.890 . 1 461 108 73 VAL CG1 C 21.777 . 2 462 108 73 VAL CG2 C 22.478 . 2 463 108 73 VAL N N 120.545 . 1 464 109 74 GLU H H 8.244 . 1 465 109 74 GLU HA H 4.111 . 1 466 109 74 GLU HB2 H 2.128 . 2 467 109 74 GLU HB3 H 2.128 . 2 468 109 74 GLU C C 177.293 . 1 469 109 74 GLU CA C 58.735 . 1 470 109 74 GLU CB C 29.302 . 1 471 109 74 GLU CG C 36.615 . 1 472 109 74 GLU N N 122.118 . 1 473 110 75 ASN H H 7.867 . 1 474 110 75 ASN HA H 4.743 . 1 475 110 75 ASN HB2 H 2.954 . 2 476 110 75 ASN HB3 H 2.729 . 2 477 110 75 ASN HD21 H 8.003 . 2 478 110 75 ASN HD22 H 6.898 . 2 479 110 75 ASN C C 174.403 . 1 480 110 75 ASN CA C 53.283 . 1 481 110 75 ASN CB C 39.274 . 1 482 110 75 ASN N N 116.161 . 1 483 110 75 ASN ND2 N 113.980 . 1 484 111 76 ASP H H 8.178 . 1 485 111 76 ASP HA H 4.503 . 1 486 111 76 ASP HB2 H 2.954 . 2 487 111 76 ASP HB3 H 2.739 . 2 488 111 76 ASP C C 175.464 . 1 489 111 76 ASP CA C 55.688 . 1 490 111 76 ASP CB C 40.026 . 1 491 111 76 ASP N N 116.833 . 1 492 112 77 ASP H H 8.477 . 1 493 112 77 ASP HA H 4.648 . 1 494 112 77 ASP HB2 H 2.748 . 2 495 112 77 ASP HB3 H 2.574 . 2 496 112 77 ASP C C 176.543 . 1 497 112 77 ASP CA C 56.086 . 1 498 112 77 ASP CB C 42.359 . 1 499 112 77 ASP N N 118.015 . 1 500 113 78 ILE H H 7.439 . 1 501 113 78 ILE HA H 4.270 . 1 502 113 78 ILE HB H 1.694 . 1 503 113 78 ILE HG12 H 1.356 . 2 504 113 78 ILE HG13 H 1.017 . 2 505 113 78 ILE HG2 H 0.835 . 1 506 113 78 ILE HD1 H 0.799 . 1 507 113 78 ILE C C 174.998 . 1 508 113 78 ILE CA C 60.179 . 1 509 113 78 ILE CB C 41.000 . 1 510 113 78 ILE CG1 C 27.039 . 1 511 113 78 ILE CG2 C 17.673 . 1 512 113 78 ILE CD1 C 13.618 . 1 513 113 78 ILE N N 116.303 . 1 514 114 79 GLU H H 8.438 . 1 515 114 79 GLU HA H 4.270 . 1 516 114 79 GLU HB2 H 2.156 . 2 517 114 79 GLU HB3 H 1.969 . 2 518 114 79 GLU HG2 H 2.306 . 2 519 114 79 GLU HG3 H 2.306 . 2 520 114 79 GLU C C 177.550 . 1 521 114 79 GLU CA C 56.344 . 1 522 114 79 GLU CB C 30.376 . 1 523 114 79 GLU CG C 36.221 . 1 524 114 79 GLU N N 122.653 . 1 525 115 80 MET H H 8.780 . 1 526 115 80 MET C C 178.604 . 1 527 115 80 MET CA C 57.755 . 1 528 115 80 MET CB C 30.350 . 1 529 115 80 MET N N 122.151 . 1 530 116 81 GLN H H 8.764 . 1 531 116 81 GLN HA H 4.157 . 1 532 116 81 GLN HB2 H 2.096 . 2 533 116 81 GLN HB3 H 2.096 . 2 534 116 81 GLN HG2 H 2.390 . 2 535 116 81 GLN HG3 H 2.390 . 2 536 116 81 GLN HE21 H 7.572 . 2 537 116 81 GLN HE22 H 6.872 . 2 538 116 81 GLN C C 176.993 . 1 539 116 81 GLN CA C 57.764 . 1 540 116 81 GLN CB C 28.069 . 1 541 116 81 GLN CG C 33.596 . 1 542 116 81 GLN N N 118.345 . 1 543 116 81 GLN NE2 N 112.355 . 1 544 117 82 ALA H H 7.875 . 1 545 117 82 ALA HA H 4.219 . 1 546 117 82 ALA HB H 1.474 . 1 547 117 82 ALA C C 179.186 . 1 548 117 82 ALA CA C 53.500 . 1 549 117 82 ALA CB C 18.745 . 1 550 117 82 ALA N N 122.072 . 1 551 118 83 LEU H H 7.737 . 1 552 118 83 LEU HA H 4.037 . 1 553 118 83 LEU HB2 H 1.775 . 2 554 118 83 LEU HB3 H 1.632 . 2 555 118 83 LEU HG H 1.769 . 1 556 118 83 LEU HD1 H 0.822 . 2 557 118 83 LEU HD2 H 0.922 . 2 558 118 83 LEU C C 178.791 . 1 559 118 83 LEU CA C 57.393 . 1 560 118 83 LEU CB C 41.137 . 1 561 118 83 LEU CG C 27.499 . 1 562 118 83 LEU CD1 C 23.955 . 2 563 118 83 LEU CD2 C 25.533 . 2 564 118 83 LEU N N 118.191 . 1 565 119 84 GLY H H 7.999 . 1 566 119 84 GLY CA C 45.915 . 1 567 119 84 GLY N N 105.187 . 1 568 120 85 SER C C 173.988 . 1 569 120 85 SER CA C 58.495 . 1 570 120 85 SER CB C 63.842 . 1 571 121 86 ASN H H 7.866 . 1 572 121 86 ASN HA H 4.992 . 1 573 121 86 ASN HB2 H 2.802 . 2 574 121 86 ASN HB3 H 2.725 . 2 575 121 86 ASN HD21 H 7.999 . 2 576 121 86 ASN HD22 H 7.124 . 2 577 121 86 ASN C C 174.457 . 1 578 121 86 ASN CA C 53.340 . 1 579 121 86 ASN CB C 39.503 . 1 580 121 86 ASN N N 121.268 . 1 581 121 86 ASN ND2 N 115.682 . 1 582 122 87 THR H H 8.207 . 1 583 122 87 THR HB H 4.381 . 1 584 122 87 THR HG2 H 1.122 . 1 585 122 87 THR C C 173.729 . 1 586 122 87 THR CA C 61.409 . 1 587 122 87 THR CB C 69.275 . 1 588 122 87 THR CG2 C 21.841 . 1 589 122 87 THR N N 113.770 . 1 590 123 88 THR H H 7.788 . 1 591 123 88 THR HA H 4.789 . 1 592 123 88 THR HB H 3.877 . 1 593 123 88 THR HG2 H 1.025 . 1 594 123 88 THR C C 173.841 . 1 595 123 88 THR CA C 62.963 . 1 596 123 88 THR CB C 70.237 . 1 597 123 88 THR CG2 C 21.912 . 1 598 123 88 THR N N 119.061 . 1 599 124 89 ILE H H 8.782 . 1 600 124 89 ILE HA H 4.353 . 1 601 124 89 ILE HB H 1.809 . 1 602 124 89 ILE HG12 H 1.140 . 2 603 124 89 ILE HG13 H 1.424 . 2 604 124 89 ILE HG2 H 0.970 . 1 605 124 89 ILE HD1 H 0.761 . 1 606 124 89 ILE C C 174.456 . 1 607 124 89 ILE CA C 59.634 . 1 608 124 89 ILE CB C 41.372 . 1 609 124 89 ILE CG1 C 27.490 . 1 610 124 89 ILE CG2 C 17.922 . 1 611 124 89 ILE CD1 C 12.994 . 1 612 124 89 ILE N N 122.795 . 1 613 125 90 HIS H H 8.747 . 1 614 125 90 HIS HA H 5.471 . 1 615 125 90 HIS HB2 H 2.464 . 2 616 125 90 HIS HB3 H 3.179 . 2 617 125 90 HIS HD2 H 7.196 . 1 618 125 90 HIS HE1 H 8.248 . 1 619 125 90 HIS C C 173.784 . 1 620 125 90 HIS CA C 53.714 . 1 621 125 90 HIS CB C 33.593 . 1 622 125 90 HIS CD2 C 120.534 . 1 623 125 90 HIS CE1 C 137.279 . 1 624 125 90 HIS N N 123.143 . 1 625 126 91 ALA H H 9.119 . 1 626 126 91 ALA HA H 4.626 . 1 627 126 91 ALA HB H 0.967 . 1 628 126 91 ALA C C 174.269 . 1 629 126 91 ALA CA C 50.536 . 1 630 126 91 ALA CB C 21.449 . 1 631 126 91 ALA N N 125.616 . 1 632 127 92 TYR H H 8.540 . 1 633 127 92 TYR HA H 5.060 . 1 634 127 92 TYR HB2 H 2.105 . 2 635 127 92 TYR HB3 H 3.100 . 2 636 127 92 TYR HD1 H 6.846 . 3 637 127 92 TYR HD2 H 6.846 . 3 638 127 92 TYR C C 174.898 . 1 639 127 92 TYR CA C 56.045 . 1 640 127 92 TYR CB C 38.513 . 1 641 127 92 TYR N N 119.969 . 1 642 128 93 PHE H H 9.733 . 1 643 128 93 PHE HA H 3.916 . 1 644 128 93 PHE HB2 H 1.595 . 2 645 128 93 PHE HB3 H 2.254 . 2 646 128 93 PHE HD1 H 6.753 . 3 647 128 93 PHE HD2 H 6.753 . 3 648 128 93 PHE HE1 H 6.811 . 3 649 128 93 PHE HE2 H 6.811 . 3 650 128 93 PHE C C 175.220 . 1 651 128 93 PHE CA C 58.759 . 1 652 128 93 PHE CB C 37.544 . 1 653 128 93 PHE N N 126.632 . 1 654 132 97 TRP HA H 4.751 . 1 655 132 97 TRP HB2 H 3.477 . 2 656 132 97 TRP HB3 H 3.377 . 2 657 132 97 TRP HD1 H 7.233 . 1 658 132 97 TRP HE1 H 10.334 . 1 659 132 97 TRP HE3 H 7.674 . 1 660 132 97 TRP HZ2 H 7.499 . 1 661 132 97 TRP HZ3 H 7.238 . 1 662 132 97 TRP HH2 H 7.233 . 1 663 132 97 TRP C C 175.169 . 1 664 132 97 TRP CA C 56.592 . 1 665 132 97 TRP CB C 28.302 . 1 666 132 97 TRP CD1 C 127.554 . 1 667 132 97 TRP CE3 C 120.904 . 1 668 132 97 TRP CZ2 C 114.887 . 1 669 132 97 TRP CZ3 C 124.955 . 1 670 132 97 TRP CH2 C 122.457 . 1 671 132 97 TRP NE1 N 130.408 . 1 672 133 98 SER H H 7.204 . 1 673 133 98 SER HB2 H 3.524 . 2 674 133 98 SER HB3 H 3.345 . 2 675 133 98 SER C C 174.319 . 1 676 133 98 SER CA C 56.654 . 1 677 133 98 SER CB C 65.501 . 1 678 133 98 SER N N 113.415 . 1 679 134 99 ASP H H 8.591 . 1 680 134 99 ASP C C 175.109 . 1 681 134 99 ASP CA C 54.236 . 1 682 134 99 ASP CB C 40.229 . 1 683 134 99 ASP N N 126.022 . 1 684 135 100 LYS H H 8.280 . 1 685 135 100 LYS HA H 5.197 . 1 686 135 100 LYS HB2 H 1.687 . 2 687 135 100 LYS HB3 H 1.687 . 2 688 135 100 LYS HG2 H 1.399 . 2 689 135 100 LYS HG3 H 1.435 . 2 690 135 100 LYS HE2 H 2.833 . 2 691 135 100 LYS HE3 H 2.890 . 2 692 135 100 LYS C C 175.978 . 1 693 135 100 LYS CA C 53.870 . 1 694 135 100 LYS CB C 35.132 . 1 695 135 100 LYS CG C 24.107 . 1 696 135 100 LYS N N 119.783 . 1 697 136 101 ALA H H 9.388 . 1 698 136 101 ALA HA H 4.975 . 1 699 136 101 ALA HB H 1.165 . 1 700 136 101 ALA C C 174.691 . 1 701 136 101 ALA CA C 49.973 . 1 702 136 101 ALA CB C 24.033 . 1 703 136 101 ALA N N 126.255 . 1 704 137 102 LEU H H 8.203 . 1 705 137 102 LEU HA H 4.868 . 1 706 137 102 LEU HB2 H 1.163 . 2 707 137 102 LEU HB3 H 1.163 . 2 708 137 102 LEU HG H 0.987 . 1 709 137 102 LEU HD1 H 0.033 . 2 710 137 102 LEU HD2 H 0.251 . 2 711 137 102 LEU C C 174.768 . 1 712 137 102 LEU CA C 53.558 . 1 713 137 102 LEU CB C 44.338 . 1 714 137 102 LEU CG C 26.663 . 1 715 137 102 LEU CD1 C 23.954 . 2 716 137 102 LEU CD2 C 23.741 . 2 717 137 102 LEU N N 121.613 . 1 718 138 103 LYS H H 9.421 . 1 719 138 103 LYS HA H 4.835 . 1 720 138 103 LYS C C 175.840 . 1 721 138 103 LYS CA C 55.274 . 1 722 138 103 LYS CB C 35.004 . 1 723 138 103 LYS N N 127.726 . 1 724 139 104 ILE H H 8.978 . 1 725 139 104 ILE HA H 4.551 . 1 726 139 104 ILE HB H 1.972 . 1 727 139 104 ILE HG2 H 0.864 . 1 728 139 104 ILE HD1 H 0.864 . 1 729 139 104 ILE C C 173.461 . 1 730 139 104 ILE CA C 59.179 . 1 731 139 104 ILE CB C 41.042 . 1 732 139 104 ILE CG1 C 27.406 . 1 733 139 104 ILE CG2 C 18.082 . 1 734 139 104 ILE CD1 C 18.024 . 1 735 139 104 ILE N N 124.840 . 1 736 140 105 ASP H H 8.923 . 1 737 140 105 ASP HA H 5.198 . 1 738 140 105 ASP HB2 H 2.869 . 2 739 140 105 ASP HB3 H 2.349 . 2 740 140 105 ASP C C 175.059 . 1 741 140 105 ASP CA C 53.326 . 1 742 140 105 ASP CB C 41.521 . 1 743 140 105 ASP N N 124.911 . 1 744 141 106 LEU H H 9.176 . 1 745 141 106 LEU HA H 5.016 . 1 746 141 106 LEU HD1 H 1.028 . 2 747 141 106 LEU HD2 H 0.854 . 2 748 141 106 LEU C C 175.233 . 1 749 141 106 LEU CA C 53.290 . 1 750 141 106 LEU CB C 44.610 . 1 751 141 106 LEU CD1 C 26.720 . 2 752 141 106 LEU CD2 C 24.131 . 2 753 141 106 LEU N N 122.260 . 1 754 142 107 MET H H 8.629 . 1 755 142 107 MET HA H 5.161 . 1 756 142 107 MET HB2 H 2.104 . 2 757 142 107 MET HB3 H 1.932 . 2 758 142 107 MET HG2 H 2.427 . 2 759 142 107 MET HG3 H 2.427 . 2 760 142 107 MET C C 173.967 . 1 761 142 107 MET CA C 53.305 . 1 762 142 107 MET CB C 35.712 . 1 763 142 107 MET CG C 32.082 . 1 764 142 107 MET N N 119.478 . 1 765 144 109 HIS HD2 H 6.949 . 1 766 144 109 HIS HE1 H 7.766 . 1 767 144 109 HIS CD2 C 120.517 . 1 768 144 109 HIS CE1 C 138.446 . 1 769 145 110 ASN H H 8.365 . 1 770 145 110 ASN HA H 4.931 . 1 771 145 110 ASN N N 120.223 . 1 772 146 111 PRO HA H 4.298 . 1 773 146 111 PRO HB2 H 2.224 . 2 774 146 111 PRO HB3 H 2.224 . 2 775 146 111 PRO HG2 H 1.924 . 2 776 146 111 PRO HG3 H 1.924 . 2 777 146 111 PRO HD2 H 3.666 . 2 778 146 111 PRO HD3 H 3.467 . 2 779 146 111 PRO C C 176.783 . 1 780 146 111 PRO CA C 63.356 . 1 781 146 111 PRO CB C 32.173 . 1 782 146 111 PRO CG C 27.186 . 1 783 146 111 PRO CD C 50.595 . 1 784 147 112 LEU H H 8.088 . 1 785 147 112 LEU HA H 4.266 . 1 786 147 112 LEU HB2 H 1.535 . 2 787 147 112 LEU HB3 H 1.634 . 2 788 147 112 LEU HD1 H 0.844 . 2 789 147 112 LEU HD2 H 0.909 . 2 790 147 112 LEU C C 177.207 . 1 791 147 112 LEU CA C 55.142 . 1 792 147 112 LEU CB C 42.041 . 1 793 147 112 LEU CG C 27.047 . 1 794 147 112 LEU CD1 C 23.408 . 2 795 147 112 LEU CD2 C 25.142 . 2 796 147 112 LEU N N 120.610 . 1 797 148 113 LYS H H 8.077 . 1 798 148 113 LYS HA H 4.297 . 1 799 148 113 LYS HB2 H 1.808 . 2 800 148 113 LYS HB3 H 1.808 . 2 801 148 113 LYS HG2 H 1.374 . 2 802 148 113 LYS HG3 H 1.374 . 2 803 148 113 LYS HD2 H 1.698 . 2 804 148 113 LYS HD3 H 1.698 . 2 805 148 113 LYS HE2 H 2.696 . 2 806 148 113 LYS HE3 H 2.696 . 2 807 148 113 LYS C C 176.370 . 1 808 148 113 LYS CA C 56.214 . 1 809 148 113 LYS CB C 32.906 . 1 810 148 113 LYS CG C 24.728 . 1 811 148 113 LYS CD C 29.055 . 1 812 148 113 LYS N N 121.856 . 1 813 149 114 VAL H H 8.146 . 1 814 149 114 VAL HA H 4.091 . 1 815 149 114 VAL HB H 2.069 . 1 816 149 114 VAL HG1 H 0.914 . 2 817 149 114 VAL HG2 H 0.911 . 2 818 149 114 VAL C C 175.935 . 1 819 149 114 VAL CA C 62.401 . 1 820 149 114 VAL CB C 32.721 . 1 821 149 114 VAL CG1 C 21.136 . 2 822 149 114 VAL CG2 C 20.800 . 2 823 149 114 VAL N N 121.430 . 1 824 150 115 CYS H H 8.399 . 1 825 150 115 CYS CA C 56.538 . 1 826 150 115 CYS CB C 30.292 . 1 827 150 115 CYS N N 123.323 . 1 828 151 116 ASP H H 8.392 . 1 829 151 116 ASP N N 123.727 . 1 830 152 117 LYS H H 8.411 . 1 831 152 117 LYS N N 121.693 . 1 832 153 118 THR H H 8.286 . 1 833 153 118 THR CA C 62.219 . 1 834 153 118 THR CB C 70.144 . 1 835 153 118 THR N N 114.578 . 1 836 154 119 ASN H H 8.025 . 1 837 154 119 ASN HB2 H 2.821 . 2 838 154 119 ASN HB3 H 2.840 . 2 839 154 119 ASN HD21 H 7.626 . 2 840 154 119 ASN HD22 H 6.896 . 2 841 154 119 ASN C C 175.551 . 1 842 154 119 ASN CA C 54.921 . 1 843 154 119 ASN CB C 41.094 . 1 844 154 119 ASN N N 126.184 . 1 845 154 119 ASN ND2 N 112.150 . 1 846 155 120 GLY H H 8.302 . 1 847 155 120 GLY HA2 H 3.923 . 2 848 155 120 GLY HA3 H 3.937 . 2 849 155 120 GLY C C 173.940 . 1 850 155 120 GLY CA C 45.508 . 1 851 155 120 GLY N N 108.812 . 1 852 156 121 ILE H H 7.935 . 1 853 156 121 ILE HA H 4.136 . 1 854 156 121 ILE HB H 1.836 . 1 855 156 121 ILE HG12 H 1.142 . 2 856 156 121 ILE HG13 H 1.421 . 2 857 156 121 ILE HG2 H 0.874 . 1 858 156 121 ILE HD1 H 0.838 . 1 859 156 121 ILE C C 175.951 . 1 860 156 121 ILE CA C 61.029 . 1 861 156 121 ILE CB C 38.642 . 1 862 156 121 ILE CG1 C 27.248 . 1 863 156 121 ILE CG2 C 17.575 . 1 864 156 121 ILE CD1 C 13.062 . 1 865 156 121 ILE N N 119.935 . 1 866 157 122 ALA H H 8.317 . 1 867 157 122 ALA HA H 4.280 . 1 868 157 122 ALA HB H 1.294 . 1 869 157 122 ALA C C 177.023 . 1 870 157 122 ALA CA C 52.425 . 1 871 157 122 ALA CB C 19.332 . 1 872 157 122 ALA N N 127.822 . 1 873 158 123 LYS H H 8.118 . 1 874 158 123 LYS HA H 4.189 . 1 875 158 123 LYS HB2 H 1.608 . 2 876 158 123 LYS HB3 H 1.608 . 2 877 158 123 LYS HG2 H 1.213 . 2 878 158 123 LYS HG3 H 1.213 . 2 879 158 123 LYS HD2 H 1.595 . 2 880 158 123 LYS HD3 H 1.595 . 2 881 158 123 LYS HE2 H 2.940 . 2 882 158 123 LYS HE3 H 2.940 . 2 883 158 123 LYS C C 175.846 . 1 884 158 123 LYS CA C 56.130 . 1 885 158 123 LYS CB C 33.361 . 1 886 158 123 LYS CG C 24.722 . 1 887 158 123 LYS CD C 29.053 . 1 888 158 123 LYS CE C 42.003 . 1 889 158 123 LYS N N 120.578 . 1 890 159 124 PHE H H 8.266 . 1 891 159 124 PHE HB2 H 3.119 . 2 892 159 124 PHE HB3 H 2.889 . 2 893 159 124 PHE HD1 H 7.272 . 3 894 159 124 PHE HD2 H 7.272 . 3 895 159 124 PHE C C 173.906 . 1 896 159 124 PHE CA C 55.758 . 1 897 159 124 PHE CB C 39.061 . 1 898 159 124 PHE CD1 C 132.106 . 3 899 159 124 PHE N N 121.064 . 1 900 160 125 PRO HA H 4.389 . 1 901 160 125 PRO HB2 H 2.269 . 2 902 160 125 PRO HB3 H 2.269 . 2 903 160 125 PRO HG2 H 1.924 . 2 904 160 125 PRO HG3 H 1.964 . 2 905 160 125 PRO C C 177.008 . 1 906 160 125 PRO CA C 63.494 . 1 907 160 125 PRO CB C 32.009 . 1 908 160 125 PRO CG C 27.429 . 1 909 160 125 PRO CD C 50.662 . 1 910 161 126 GLU H H 8.702 . 1 911 161 126 GLU HA H 4.216 . 1 912 161 126 GLU HB2 H 1.954 . 2 913 161 126 GLU HB3 H 2.024 . 2 914 161 126 GLU HG2 H 2.308 . 2 915 161 126 GLU HG3 H 2.308 . 2 916 161 126 GLU C C 176.772 . 1 917 161 126 GLU CA C 57.339 . 1 918 161 126 GLU CB C 29.801 . 1 919 161 126 GLU CG C 36.452 . 1 920 161 126 GLU N N 121.053 . 1 921 162 127 ARG H H 8.198 . 1 922 162 127 ARG HA H 4.335 . 1 923 162 127 ARG HB2 H 1.785 . 2 924 162 127 ARG HB3 H 1.785 . 2 925 162 127 ARG HG2 H 1.602 . 2 926 162 127 ARG HG3 H 1.602 . 2 927 162 127 ARG HD2 H 3.168 . 2 928 162 127 ARG HD3 H 3.168 . 2 929 162 127 ARG C C 176.065 . 1 930 162 127 ARG CA C 56.302 . 1 931 162 127 ARG CB C 30.910 . 1 932 162 127 ARG CG C 27.159 . 1 933 162 127 ARG CD C 43.344 . 1 934 162 127 ARG N N 120.330 . 1 935 163 128 GLU H H 8.330 . 1 936 163 128 GLU HA H 4.280 . 1 937 163 128 GLU HB2 H 1.891 . 2 938 163 128 GLU HB3 H 2.059 . 2 939 163 128 GLU HG2 H 2.231 . 2 940 163 128 GLU HG3 H 2.231 . 2 941 163 128 GLU C C 176.144 . 1 942 163 128 GLU CA C 56.476 . 1 943 163 128 GLU CB C 30.191 . 1 944 163 128 GLU CG C 36.329 . 1 945 163 128 GLU N N 120.817 . 1 946 164 129 LEU H H 8.142 . 1 947 164 129 LEU HA H 4.372 . 1 948 164 129 LEU HB2 H 1.483 . 2 949 164 129 LEU HB3 H 1.483 . 2 950 164 129 LEU HD1 H 0.815 . 2 951 164 129 LEU HD2 H 0.879 . 2 952 164 129 LEU C C 176.613 . 1 953 164 129 LEU CA C 54.981 . 1 954 164 129 LEU CB C 42.554 . 1 955 164 129 LEU CG C 27.048 . 1 956 164 129 LEU CD1 C 23.661 . 2 957 164 129 LEU CD2 C 25.315 . 2 958 164 129 LEU N N 122.198 . 1 959 165 130 GLU H H 8.519 . 1 960 165 130 GLU HA H 4.498 . 1 961 165 130 GLU HB2 H 1.925 . 2 962 165 130 GLU HB3 H 1.925 . 2 963 165 130 GLU HG2 H 2.238 . 2 964 165 130 GLU HG3 H 2.238 . 2 965 165 130 GLU C C 175.803 . 1 966 165 130 GLU CA C 55.646 . 1 967 165 130 GLU CB C 31.675 . 1 968 165 130 GLU CG C 36.398 . 1 969 165 130 GLU N N 121.912 . 1 970 166 131 LEU H H 8.442 . 1 971 166 131 LEU HA H 4.504 . 1 972 166 131 LEU HD1 H 0.652 . 2 973 166 131 LEU HD2 H 0.774 . 2 974 166 131 LEU CA C 54.508 . 1 975 166 131 LEU CB C 43.586 . 1 976 166 131 LEU CG C 26.976 . 1 977 166 131 LEU CD1 C 22.990 . 2 978 166 131 LEU CD2 C 25.529 . 2 979 166 131 LEU N N 122.664 . 1 980 167 132 ARG H H 8.584 . 1 981 167 132 ARG CA C 54.940 . 1 982 167 132 ARG CB C 33.847 . 1 983 167 132 ARG N N 118.696 . 1 984 168 133 GLN H H 8.756 . 1 985 168 133 GLN CA C 56.800 . 1 986 168 133 GLN CB C 28.412 . 1 987 168 133 GLN N N 124.625 . 1 988 169 134 THR H H 8.740 . 1 989 169 134 THR HA H 4.621 . 1 990 169 134 THR HB H 4.193 . 1 991 169 134 THR HG2 H 1.277 . 1 992 169 134 THR CA C 61.430 . 1 993 169 134 THR CB C 70.228 . 1 994 169 134 THR CG2 C 21.256 . 1 995 169 134 THR N N 120.249 . 1 996 171 136 PRO HA H 4.472 . 1 997 171 136 PRO HB2 H 2.301 . 2 998 171 136 PRO HB3 H 2.301 . 2 999 171 136 PRO C C 176.842 . 1 1000 171 136 PRO CA C 62.642 . 1 1001 171 136 PRO CB C 32.266 . 1 1002 171 136 PRO CG C 27.037 . 1 1003 171 136 PRO CD C 49.521 . 1 1004 172 137 ALA H H 8.581 . 1 1005 172 137 ALA HA H 4.549 . 1 1006 172 137 ALA HB H 1.063 . 1 1007 172 137 ALA C C 177.345 . 1 1008 172 137 ALA CA C 51.889 . 1 1009 172 137 ALA CB C 19.751 . 1 1010 172 137 ALA N N 124.865 . 1 1011 173 138 VAL H H 8.304 . 1 1012 173 138 VAL HA H 4.403 . 1 1013 173 138 VAL HB H 0.864 . 1 1014 173 138 VAL HG1 H 0.866 . 2 1015 173 138 VAL C C 174.170 . 1 1016 173 138 VAL CA C 60.382 . 1 1017 173 138 VAL CB C 35.555 . 1 1018 173 138 VAL CG1 C 20.668 . 2 1019 173 138 VAL N N 119.855 . 1 1020 174 139 GLU H H 8.694 . 1 1021 174 139 GLU HA H 4.974 . 1 1022 174 139 GLU HB2 H 1.915 . 2 1023 174 139 GLU HB3 H 1.915 . 2 1024 174 139 GLU HG2 H 2.228 . 2 1025 174 139 GLU HG3 H 2.053 . 2 1026 174 139 GLU C C 176.170 . 1 1027 174 139 GLU CA C 56.348 . 1 1028 174 139 GLU CB C 30.902 . 1 1029 174 139 GLU CG C 38.182 . 1 1030 174 139 GLU N N 126.364 . 1 1031 175 140 VAL H H 9.090 . 1 1032 175 140 VAL HA H 4.662 . 1 1033 175 140 VAL HB H 2.232 . 1 1034 175 140 VAL HG1 H 0.764 . 2 1035 175 140 VAL HG2 H 0.919 . 2 1036 175 140 VAL C C 174.318 . 1 1037 175 140 VAL CA C 59.041 . 1 1038 175 140 VAL CB C 35.256 . 1 1039 175 140 VAL CG1 C 19.510 . 2 1040 175 140 VAL CG2 C 21.810 . 2 1041 175 140 VAL N N 120.969 . 1 1042 176 141 ASP H H 8.835 . 1 1043 176 141 ASP HA H 5.006 . 1 1044 176 141 ASP HB2 H 2.733 . 2 1045 176 141 ASP HB3 H 2.501 . 2 1046 176 141 ASP C C 178.109 . 1 1047 176 141 ASP CA C 54.087 . 1 1048 176 141 ASP CB C 42.275 . 1 1049 176 141 ASP N N 123.152 . 1 1050 177 142 VAL H H 8.536 . 1 1051 177 142 VAL HA H 3.509 . 1 1052 177 142 VAL HB H 1.960 . 1 1053 177 142 VAL HG1 H 0.803 . 2 1054 177 142 VAL HG2 H 0.879 . 2 1055 177 142 VAL C C 178.483 . 1 1056 177 142 VAL CA C 65.483 . 1 1057 177 142 VAL CB C 31.251 . 1 1058 177 142 VAL CG1 C 21.249 . 2 1059 177 142 VAL CG2 C 21.490 . 2 1060 177 142 VAL N N 123.451 . 1 1061 178 143 LYS H H 8.844 . 1 1062 178 143 LYS HA H 4.125 . 1 1063 178 143 LYS HB2 H 1.720 . 2 1064 178 143 LYS HB3 H 1.720 . 2 1065 178 143 LYS C C 176.589 . 1 1066 178 143 LYS CA C 58.186 . 1 1067 178 143 LYS CB C 31.280 . 1 1068 178 143 LYS CG C 24.477 . 1 1069 178 143 LYS CD C 28.539 . 1 1070 178 143 LYS CE C 42.230 . 1 1071 178 143 LYS N N 119.390 . 1 1072 179 144 ASP H H 7.942 . 1 1073 179 144 ASP HA H 4.667 . 1 1074 179 144 ASP HB2 H 2.716 . 2 1075 179 144 ASP HB3 H 2.670 . 2 1076 179 144 ASP C C 176.293 . 1 1077 179 144 ASP CA C 54.640 . 1 1078 179 144 ASP CB C 41.274 . 1 1079 179 144 ASP N N 118.525 . 1 1080 180 145 ILE H H 7.383 . 1 1081 180 145 ILE HA H 3.660 . 1 1082 180 145 ILE HB H 1.462 . 1 1083 180 145 ILE HG2 H 0.356 . 1 1084 180 145 ILE HD1 H 0.211 . 1 1085 180 145 ILE C C 174.152 . 1 1086 180 145 ILE CA C 60.248 . 1 1087 180 145 ILE CB C 37.869 . 1 1088 180 145 ILE CG1 C 27.069 . 1 1089 180 145 ILE CG2 C 14.356 . 1 1090 180 145 ILE CD1 C 14.684 . 1 1091 180 145 ILE N N 125.206 . 1 1092 181 146 PRO HA H 4.190 . 1 1093 181 146 PRO HB2 H 2.221 . 2 1094 181 146 PRO HB3 H 2.221 . 2 1095 181 146 PRO C C 175.792 . 1 1096 181 146 PRO CA C 63.480 . 1 1097 181 146 PRO CB C 32.049 . 1 1098 181 146 PRO CG C 27.651 . 1 1099 181 146 PRO CD C 50.742 . 1 1100 182 147 ALA H H 8.327 . 1 1101 182 147 ALA HA H 4.328 . 1 1102 182 147 ALA HB H 1.325 . 1 1103 182 147 ALA C C 177.806 . 1 1104 182 147 ALA CA C 51.420 . 1 1105 182 147 ALA CB C 19.814 . 1 1106 182 147 ALA N N 125.177 . 1 1107 183 148 GLN H H 8.555 . 1 1108 183 148 GLN HA H 4.260 . 1 1109 183 148 GLN HB2 H 1.871 . 2 1110 183 148 GLN HB3 H 2.006 . 2 1111 183 148 GLN HG2 H 2.289 . 2 1112 183 148 GLN HG3 H 2.289 . 2 1113 183 148 GLN HE21 H 7.698 . 2 1114 183 148 GLN HE22 H 6.921 . 2 1115 183 148 GLN C C 175.976 . 1 1116 183 148 GLN CA C 56.200 . 1 1117 183 148 GLN CB C 29.804 . 1 1118 183 148 GLN N N 121.229 . 1 1119 183 148 GLN NE2 N 112.662 . 1 1120 184 149 GLU H H 8.616 . 1 1121 184 149 GLU HA H 4.314 . 1 1122 184 149 GLU HB2 H 1.892 . 2 1123 184 149 GLU HB3 H 2.022 . 2 1124 184 149 GLU HG2 H 2.190 . 2 1125 184 149 GLU HG3 H 2.264 . 2 1126 184 149 GLU C C 176.192 . 1 1127 184 149 GLU CA C 56.482 . 1 1128 184 149 GLU CB C 30.439 . 1 1129 184 149 GLU CG C 36.161 . 1 1130 184 149 GLU N N 123.930 . 1 1131 185 150 VAL H H 8.197 . 1 1132 185 150 VAL HA H 4.116 . 1 1133 185 150 VAL HB H 1.994 . 1 1134 185 150 VAL HG1 H 0.846 . 2 1135 185 150 VAL HG2 H 0.840 . 2 1136 185 150 VAL C C 175.743 . 1 1137 185 150 VAL CA C 61.908 . 1 1138 185 150 VAL CB C 33.135 . 1 1139 185 150 VAL CG1 C 20.566 . 2 1140 185 150 VAL CG2 C 21.098 . 2 1141 185 150 VAL N N 121.350 . 1 1142 186 151 GLU H H 8.513 . 1 1143 186 151 GLU HA H 4.265 . 1 1144 186 151 GLU HB2 H 1.874 . 2 1145 186 151 GLU HB3 H 1.969 . 2 1146 186 151 GLU HG2 H 2.149 . 2 1147 186 151 GLU HG3 H 2.224 . 2 1148 186 151 GLU C C 175.971 . 1 1149 186 151 GLU CA C 56.456 . 1 1150 186 151 GLU CB C 30.389 . 1 1151 186 151 GLU CG C 36.268 . 1 1152 186 151 GLU N N 124.875 . 1 1153 187 152 HIS H H 8.369 . 1 1154 187 152 HIS HA H 4.639 . 1 1155 187 152 HIS HB2 H 3.095 . 2 1156 187 152 HIS HB3 H 3.141 . 2 1157 187 152 HIS HD2 H 7.196 . 1 1158 187 152 HIS HE1 H 8.248 . 1 1159 187 152 HIS C C 174.251 . 1 1160 187 152 HIS CA C 56.035 . 1 1161 187 152 HIS CB C 30.905 . 1 1162 187 152 HIS CD2 C 120.534 . 1 1163 187 152 HIS CE1 C 137.279 . 1 1164 187 152 HIS N N 121.205 . 1 1165 188 153 GLU H H 8.190 . 1 1166 188 153 GLU HA H 4.103 . 1 1167 188 153 GLU HB2 H 1.883 . 2 1168 188 153 GLU HB3 H 2.018 . 2 1169 188 153 GLU HG2 H 2.182 . 2 1170 188 153 GLU HG3 H 2.182 . 2 1171 188 153 GLU C C 181.265 . 1 1172 188 153 GLU CA C 58.258 . 1 1173 188 153 GLU CB C 30.945 . 1 1174 188 153 GLU CG C 36.736 . 1 1175 188 153 GLU N N 127.404 . 1 stop_ save_