data_27880 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N Backbone chemical Shift Assignment of the RYMV-encoded viral supressor of RNA silencing P1 protein ; _BMRB_accession_number 27880 _BMRB_flat_file_name bmr27880.str _Entry_type original _Submission_date 2019-04-17 _Accession_date 2019-04-17 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone assignment of the P1 protein of Rice Yellow Mottle VIRUS (RYMV).' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yang Yinshan . . 2 Gillet Francois-Xavier . . 3 Hoh Francois . . 4 Brugidou Christophe . . 5 Vignols Florence . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 317 "13C chemical shifts" 422 "15N chemical shifts" 152 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-12-23 update BMRB 'update entry citation' 2019-08-14 original author 'original release' stop_ _Original_release_date 2019-04-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR chemical shift backbone assignment of the viral protein P1 encoded by the African Rice Yellow Mottle Virus ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31346897 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yang Yinshan . . 2 Poignavent Vianney . . 3 Gillet Francois-Xavier . . 4 Hoh Francois . . 5 Brugidou Christophe . . 6 Vignols Florence . . 7 Demene Helene . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 13 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 345 _Page_last 348 _Year 2019 _Details . loop_ _Keyword 'RNA silencing' RYMV stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RYMV P1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RYMV P1' $RYMV_P1 'ZINC ION, 1' $entity_ZN 'ZINC ION, 2' $entity_ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RYMV_P1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RYMV_P1 _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 157 _Mol_residue_sequence ; MTRLEVLIRPTEQTAAKANA VGYTHALTWVWHSQTWDVDS VRDPSLRADFNPEKVGWVSV SFACTQCTAHYYTSEQVKYF TNIPPVHFDVVCADCERSVQ LDDEIDREHQERNAEISACN ARALSEGRPASLVYLSRDAC DIPEHSGRCRFVKYLNF ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 ARG 4 LEU 5 GLU 6 VAL 7 LEU 8 ILE 9 ARG 10 PRO 11 THR 12 GLU 13 GLN 14 THR 15 ALA 16 ALA 17 LYS 18 ALA 19 ASN 20 ALA 21 VAL 22 GLY 23 TYR 24 THR 25 HIS 26 ALA 27 LEU 28 THR 29 TRP 30 VAL 31 TRP 32 HIS 33 SER 34 GLN 35 THR 36 TRP 37 ASP 38 VAL 39 ASP 40 SER 41 VAL 42 ARG 43 ASP 44 PRO 45 SER 46 LEU 47 ARG 48 ALA 49 ASP 50 PHE 51 ASN 52 PRO 53 GLU 54 LYS 55 VAL 56 GLY 57 TRP 58 VAL 59 SER 60 VAL 61 SER 62 PHE 63 ALA 64 CYS 65 THR 66 GLN 67 CYS 68 THR 69 ALA 70 HIS 71 TYR 72 TYR 73 THR 74 SER 75 GLU 76 GLN 77 VAL 78 LYS 79 TYR 80 PHE 81 THR 82 ASN 83 ILE 84 PRO 85 PRO 86 VAL 87 HIS 88 PHE 89 ASP 90 VAL 91 VAL 92 CYS 93 ALA 94 ASP 95 CYS 96 GLU 97 ARG 98 SER 99 VAL 100 GLN 101 LEU 102 ASP 103 ASP 104 GLU 105 ILE 106 ASP 107 ARG 108 GLU 109 HIS 110 GLN 111 GLU 112 ARG 113 ASN 114 ALA 115 GLU 116 ILE 117 SER 118 ALA 119 CYS 120 ASN 121 ALA 122 ARG 123 ALA 124 LEU 125 SER 126 GLU 127 GLY 128 ARG 129 PRO 130 ALA 131 SER 132 LEU 133 VAL 134 TYR 135 LEU 136 SER 137 ARG 138 ASP 139 ALA 140 CYS 141 ASP 142 ILE 143 PRO 144 GLU 145 HIS 146 SER 147 GLY 148 ARG 149 CYS 150 ARG 151 PHE 152 VAL 153 LYS 154 TYR 155 LEU 156 ASN 157 PHE 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 $RYMV_P1 Sobemovirus 12137 Viruses . Sobemovirus . 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 $RYMV_P1 'recombinant technology' . Escherichia coli . pET3b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $RYMV_P1 350 uM 300 400 '[U-99% 13C; U-99% 15N]' $entity_ZN 350 uM . . 'natural abundance' DSS 50 uM . . 'natural abundance' 'sodium chloride' 100 mM . . 'natural abundance' Na2SO4 60 mM . . 'natural abundance' TRIS 15 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_GIFA _Saveframe_category software _Name GIFA _Version . loop_ _Vendor _Address _Electronic_address 'Marc Andre Delsuc' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRview _Saveframe_category software _Name NMRview _Version . loop_ _Vendor _Address _Electronic_address 'Johnson Bruce A' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _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_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.2 0.015 M pH 8 0.1 pH pressure 1 . atm temperature 300 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RYMV P1' _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 1 1 MET HA H 3.812 0.01 1 2 1 1 MET CA C 55.75 0.01 1 3 2 2 THR HA H 4.330 0.01 1 4 2 2 THR C C 171.36 0.01 1 5 2 2 THR CA C 61.30 0.01 1 6 2 2 THR CB C 70.40 0.01 1 7 3 3 ARG H H 7.920 0.01 1 8 3 3 ARG HA H 4.159 0.01 1 9 3 3 ARG C C 174.62 0.01 1 10 3 3 ARG CA C 55.00 0.01 1 11 3 3 ARG CB C 31.79 0.01 1 12 3 3 ARG N N 123.85 0.01 1 13 4 4 LEU H H 9.103 0.01 1 14 4 4 LEU HA H 4.567 0.01 1 15 4 4 LEU C C 174.70 0.01 1 16 4 4 LEU CA C 54.63 0.01 1 17 4 4 LEU CB C 45.01 0.01 1 18 4 4 LEU N N 129.45 0.01 1 19 5 5 GLU H H 8.584 0.01 1 20 5 5 GLU HA H 4.615 0.01 1 21 5 5 GLU C C 174.10 0.01 1 22 5 5 GLU CA C 55.58 0.01 1 23 5 5 GLU CB C 31.93 0.01 1 24 5 5 GLU N N 128.05 0.01 1 25 6 6 VAL H H 8.717 0.01 1 26 6 6 VAL HA H 4.225 0.01 1 27 6 6 VAL C C 173.65 0.01 1 28 6 6 VAL CA C 61.18 0.01 1 29 6 6 VAL CB C 34.28 0.01 1 30 6 6 VAL N N 124.12 0.01 1 31 7 7 LEU H H 7.921 0.01 1 32 7 7 LEU HA H 5.027 0.01 1 33 7 7 LEU C C 175.32 0.01 1 34 7 7 LEU CA C 54.11 0.01 1 35 7 7 LEU CB C 43.99 0.01 1 36 7 7 LEU N N 130.18 0.01 1 37 8 8 ILE H H 8.907 0.01 1 38 8 8 ILE HA H 4.408 0.01 1 39 8 8 ILE C C 174.12 0.01 1 40 8 8 ILE CA C 60.22 0.01 1 41 8 8 ILE CB C 40.50 0.01 1 42 8 8 ILE N N 125.63 0.01 1 43 9 9 ARG H H 8.364 0.01 1 44 9 9 ARG HA H 5.077 0.01 1 45 9 9 ARG CA C 53.27 0.01 1 46 9 9 ARG N N 124.17 0.01 1 47 10 10 PRO HA H 5.536 0.01 1 48 10 10 PRO C C 178.65 0.01 1 49 10 10 PRO CA C 62.93 0.01 1 50 10 10 PRO CB C 32.07 0.01 1 51 11 11 THR H H 8.136 0.01 1 52 11 11 THR HA H 4.775 0.01 1 53 11 11 THR CA C 60.88 0.01 1 54 11 11 THR CB C 71.10 0.01 1 55 11 11 THR N N 114.27 0.01 1 56 13 13 GLN HE21 H 7.817 . . 57 13 13 GLN HE22 H 6.922 . . 58 13 13 GLN C C 177.10 0.01 1 59 13 13 GLN CA C 58.37 0.01 1 60 13 13 GLN CB C 28.07 0.01 1 61 13 13 GLN NE2 N 112.61 . . 62 14 14 THR H H 7.806 0.01 1 63 14 14 THR HA H 4.958 0.01 1 64 14 14 THR C C 174.50 0.01 1 65 14 14 THR CA C 61.80 0.01 1 66 14 14 THR CB C 70.84 0.01 1 67 14 14 THR N N 107.13 0.01 1 68 15 15 ALA H H 7.614 0.01 1 69 15 15 ALA HA H 3.905 0.01 1 70 15 15 ALA CA C 55.68 0.01 1 71 15 15 ALA CB C 18.42 0.01 1 72 15 15 ALA N N 125.96 0.01 1 73 16 16 ALA HA H 4.170 0.01 1 74 16 16 ALA C C 181.28 0.01 1 75 16 16 ALA CA C 55.70 0.01 1 76 16 16 ALA CB C 17.48 0.01 1 77 17 17 LYS H H 7.811 0.01 1 78 17 17 LYS HA H 4.100 0.01 1 79 17 17 LYS C C 178.13 0.01 1 80 17 17 LYS CA C 58.88 0.01 1 81 17 17 LYS CB C 32.06 0.01 1 82 17 17 LYS N N 120.01 0.01 1 83 18 18 ALA H H 7.391 0.01 1 84 18 18 ALA HA H 3.004 0.01 1 85 18 18 ALA C C 179.82 0.01 1 86 18 18 ALA CA C 54.92 0.01 1 87 18 18 ALA CB C 17.55 0.01 1 88 18 18 ALA N N 121.67 0.01 1 89 19 19 ASN H H 8.657 0.01 1 90 19 19 ASN HA H 4.313 0.01 1 91 19 19 ASN HD21 H 7.567 . . 92 19 19 ASN HD22 H 6.961 . . 93 19 19 ASN C C 178.47 0.01 1 94 19 19 ASN CA C 55.47 0.01 1 95 19 19 ASN CB C 38.32 0.01 1 96 19 19 ASN N N 116.50 0.01 1 97 19 19 ASN ND2 N 111.93 . . 98 20 20 ALA H H 7.801 0.01 1 99 20 20 ALA HA H 4.157 0.01 1 100 20 20 ALA C C 179.42 0.01 1 101 20 20 ALA CA C 54.91 0.01 1 102 20 20 ALA CB C 18.22 0.01 1 103 20 20 ALA N N 121.61 0.01 1 104 21 21 VAL H H 7.247 0.01 1 105 21 21 VAL HA H 4.466 0.01 1 106 21 21 VAL C C 176.40 0.01 1 107 21 21 VAL CA C 60.93 0.01 1 108 21 21 VAL CB C 31.90 0.01 1 109 21 21 VAL N N 108.91 0.01 1 110 22 22 GLY H H 7.741 0.01 1 111 22 22 GLY HA2 H 3.771 0.01 2 112 22 22 GLY HA3 H 4.065 0.01 2 113 22 22 GLY C C 173.65 0.01 1 114 22 22 GLY CA C 46.27 0.01 1 115 22 22 GLY N N 110.02 0.01 1 116 23 23 TYR H H 8.018 0.01 1 117 23 23 TYR HA H 4.462 0.01 1 118 23 23 TYR C C 174.69 0.01 1 119 23 23 TYR CA C 57.92 0.01 1 120 23 23 TYR CB C 41.28 0.01 1 121 23 23 TYR N N 123.90 0.01 1 122 24 24 THR H H 7.933 0.01 1 123 24 24 THR HA H 4.779 0.01 1 124 24 24 THR C C 174.27 0.01 1 125 24 24 THR CA C 62.50 0.01 1 126 24 24 THR CB C 69.56 0.01 1 127 24 24 THR N N 113.00 0.01 1 128 25 25 HIS H H 7.297 0.01 1 129 25 25 HIS HA H 5.192 0.01 1 130 25 25 HIS C C 172.11 0.01 1 131 25 25 HIS CA C 56.08 0.01 1 132 25 25 HIS CB C 31.56 0.01 1 133 25 25 HIS N N 115.08 0.01 1 134 26 26 ALA H H 9.183 0.01 1 135 26 26 ALA HA H 4.681 0.01 1 136 26 26 ALA C C 175.50 0.01 1 137 26 26 ALA CA C 51.06 0.01 1 138 26 26 ALA CB C 22.87 0.01 1 139 26 26 ALA N N 121.20 0.01 1 140 27 27 LEU H H 8.197 0.01 1 141 27 27 LEU HA H 5.163 0.01 1 142 27 27 LEU C C 176.17 0.01 1 143 27 27 LEU CA C 53.63 0.01 1 144 27 27 LEU CB C 45.00 0.01 1 145 27 27 LEU N N 121.99 0.01 1 146 28 28 THR H H 8.648 0.01 1 147 28 28 THR HA H 4.204 0.01 1 148 28 28 THR C C 171.55 0.01 1 149 28 28 THR CA C 60.70 0.01 1 150 28 28 THR CB C 70.22 0.01 1 151 28 28 THR N N 121.15 0.01 1 152 29 29 TRP H H 8.163 0.01 1 153 29 29 TRP HA H 5.550 0.01 1 154 29 29 TRP C C 175.12 0.01 1 155 29 29 TRP CA C 56.19 0.01 1 156 29 29 TRP CB C 28.64 0.01 1 157 29 29 TRP N N 122.13 0.01 1 158 30 30 VAL H H 8.657 0.01 1 159 30 30 VAL HA H 4.676 0.01 1 160 30 30 VAL C C 174.06 0.01 1 161 30 30 VAL CA C 59.41 0.01 1 162 30 30 VAL CB C 34.54 0.01 1 163 30 30 VAL N N 115.76 0.01 1 164 31 31 TRP H H 9.056 0.01 1 165 31 31 TRP HA H 5.282 0.01 1 166 31 31 TRP C C 176.37 0.01 1 167 31 31 TRP CA C 56.54 0.01 1 168 31 31 TRP CB C 31.44 0.01 1 169 31 31 TRP N N 123.70 0.01 1 170 32 32 HIS H H 8.857 0.01 1 171 32 32 HIS HA H 4.785 0.01 1 172 32 32 HIS N N 117.08 0.01 1 173 34 34 GLN HE21 H 7.577 . . 174 34 34 GLN HE22 H 6.922 . . 175 34 34 GLN C C 177.63 0.01 1 176 34 34 GLN NE2 N 112.51 . . 177 35 35 THR H H 7.649 0.01 1 178 35 35 THR HA H 3.371 0.01 1 179 35 35 THR C C 172.06 0.01 1 180 35 35 THR CA C 65.73 0.01 1 181 35 35 THR CB C 69.61 0.01 1 182 35 35 THR N N 118.20 0.01 1 183 36 36 TRP H H 6.568 0.01 1 184 36 36 TRP HA H 4.585 0.01 1 185 36 36 TRP C C 174.20 0.01 1 186 36 36 TRP CA C 52.93 0.01 1 187 36 36 TRP CB C 28.54 0.01 1 188 36 36 TRP N N 116.70 0.01 1 189 37 37 ASP H H 7.224 0.01 1 190 37 37 ASP HA H 4.962 0.01 1 191 37 37 ASP C C 174.83 0.01 1 192 37 37 ASP CA C 52.40 0.01 1 193 37 37 ASP CB C 39.36 0.01 1 194 37 37 ASP N N 119.83 0.01 1 195 38 38 VAL H H 7.562 0.01 1 196 38 38 VAL HA H 4.793 0.01 1 197 38 38 VAL C C 178.26 0.01 1 198 38 38 VAL CA C 58.64 0.01 1 199 38 38 VAL CB C 35.24 0.01 1 200 38 38 VAL N N 113.72 0.01 1 201 39 39 ASP H H 9.029 0.01 1 202 39 39 ASP HA H 4.286 0.01 1 203 39 39 ASP C C 177.53 0.01 1 204 39 39 ASP CA C 59.78 0.01 1 205 39 39 ASP CB C 41.19 0.01 1 206 39 39 ASP N N 122.74 0.01 1 207 40 40 SER H H 8.094 0.01 1 208 40 40 SER HA H 4.289 0.01 1 209 40 40 SER C C 174.26 0.01 1 210 40 40 SER CA C 59.95 0.01 1 211 40 40 SER CB C 63.39 0.01 1 212 40 40 SER N N 110.38 0.01 1 213 41 41 VAL H H 7.458 0.01 1 214 41 41 VAL HA H 3.330 0.01 1 215 41 41 VAL C C 173.81 0.01 1 216 41 41 VAL CA C 63.33 0.01 1 217 41 41 VAL CB C 31.26 0.01 1 218 41 41 VAL N N 124.12 0.01 1 219 42 42 ARG H H 6.572 0.01 1 220 42 42 ARG HA H 4.689 0.01 1 221 42 42 ARG C C 175.47 0.01 1 222 42 42 ARG CA C 53.58 0.01 1 223 42 42 ARG CB C 33.62 0.01 1 224 42 42 ARG N N 124.33 0.01 1 225 43 43 ASP H H 8.266 0.01 1 226 43 43 ASP HA H 4.773 0.01 1 227 43 43 ASP CA C 53.46 0.01 1 228 43 43 ASP CB C 41.08 0.01 1 229 43 43 ASP N N 123.39 0.01 1 230 44 44 PRO C C 175.44 0.01 1 231 44 44 PRO CA C 62.59 0.01 1 232 44 44 PRO CB C 32.99 0.01 1 233 45 45 SER H H 8.258 0.01 1 234 45 45 SER HA H 5.353 0.01 1 235 45 45 SER C C 173.93 0.01 1 236 45 45 SER CA C 56.58 0.01 1 237 45 45 SER CB C 64.25 0.01 1 238 45 45 SER N N 115.58 0.01 1 239 46 46 LEU H H 9.259 0.01 1 240 46 46 LEU HA H 4.847 0.01 1 241 46 46 LEU C C 176.76 0.01 1 242 46 46 LEU CA C 53.32 0.01 1 243 46 46 LEU CB C 46.60 0.01 1 244 46 46 LEU N N 124.69 0.01 1 245 47 47 ARG H H 8.300 0.01 1 246 47 47 ARG HA H 5.665 0.01 1 247 47 47 ARG C C 175.18 0.01 1 248 47 47 ARG CA C 53.48 0.01 1 249 47 47 ARG CB C 32.89 0.01 1 250 47 47 ARG N N 120.61 0.01 1 251 48 48 ALA H H 8.655 0.01 1 252 48 48 ALA HA H 4.851 0.01 1 253 48 48 ALA C C 175.64 0.01 1 254 48 48 ALA CA C 50.52 0.01 1 255 48 48 ALA CB C 24.03 0.01 1 256 48 48 ALA N N 121.66 0.01 1 257 49 49 ASP H H 8.088 0.01 1 258 49 49 ASP HA H 4.751 0.01 1 259 49 49 ASP C C 174.19 0.01 1 260 49 49 ASP CA C 54.94 0.01 1 261 49 49 ASP CB C 40.51 0.01 1 262 49 49 ASP N N 121.04 0.01 1 263 50 50 PHE H H 8.800 0.01 1 264 50 50 PHE HA H 4.413 0.01 1 265 50 50 PHE C C 175.01 0.01 1 266 50 50 PHE CA C 57.40 0.01 1 267 50 50 PHE CB C 38.53 0.01 1 268 50 50 PHE N N 127.61 0.01 1 269 51 51 ASN H H 7.989 0.01 1 270 51 51 ASN HA H 4.163 0.01 1 271 51 51 ASN HD21 H 7.210 . . 272 51 51 ASN HD22 H 7.187 . . 273 51 51 ASN CA C 50.52 0.01 1 274 51 51 ASN CB C 40.35 0.01 1 275 51 51 ASN N N 125.44 0.01 1 276 51 51 ASN ND2 N 113.68 . . 277 52 52 PRO HA H 4.687 0.01 1 278 52 52 PRO C C 176.03 0.01 1 279 52 52 PRO CA C 63.11 0.01 1 280 52 52 PRO CB C 31.99 0.01 1 281 53 53 GLU H H 7.836 0.01 1 282 53 53 GLU HA H 4.337 0.01 1 283 53 53 GLU C C 176.29 0.01 1 284 53 53 GLU CA C 55.67 0.01 1 285 53 53 GLU CB C 30.38 0.01 1 286 53 53 GLU N N 115.62 0.01 1 287 54 54 LYS H H 7.316 0.01 1 288 54 54 LYS HA H 4.775 0.01 1 289 54 54 LYS C C 175.29 0.01 1 290 54 54 LYS CA C 54.16 0.01 1 291 54 54 LYS N N 117.38 0.01 1 292 55 55 VAL H H 7.947 0.01 1 293 55 55 VAL HA H 4.198 0.01 1 294 55 55 VAL C C 174.42 0.01 1 295 55 55 VAL CA C 61.84 0.01 1 296 55 55 VAL CB C 34.28 0.01 1 297 55 55 VAL N N 118.31 0.01 1 298 56 56 GLY H H 8.533 0.01 1 299 56 56 GLY HA2 H 4.102 0.01 2 300 56 56 GLY HA3 H 4.669 0.01 2 301 56 56 GLY C C 172.02 0.01 1 302 56 56 GLY CA C 44.42 0.01 1 303 56 56 GLY N N 117.91 0.01 1 304 57 57 TRP H H 8.189 0.01 1 305 57 57 TRP HA H 5.180 0.01 1 306 57 57 TRP C C 175.72 0.01 1 307 57 57 TRP CA C 56.54 0.01 1 308 57 57 TRP CB C 28.45 0.01 1 309 57 57 TRP N N 117.68 0.01 1 310 58 58 VAL H H 9.344 0.01 1 311 58 58 VAL HA H 4.628 0.01 1 312 58 58 VAL C C 173.70 0.01 1 313 58 58 VAL CA C 58.99 0.01 1 314 58 58 VAL CB C 33.91 0.01 1 315 58 58 VAL N N 123.91 0.01 1 316 59 59 SER H H 8.756 0.01 1 317 59 59 SER HA H 4.912 0.01 1 318 59 59 SER C C 172.92 0.01 1 319 59 59 SER CA C 57.45 0.01 1 320 59 59 SER CB C 64.54 0.01 1 321 59 59 SER N N 124.43 0.01 1 322 60 60 VAL H H 8.600 0.01 1 323 60 60 VAL HA H 4.926 0.01 1 324 60 60 VAL C C 173.11 0.01 1 325 60 60 VAL CA C 60.61 0.01 1 326 60 60 VAL CB C 33.97 0.01 1 327 60 60 VAL N N 126.16 0.01 1 328 61 61 SER H H 8.686 0.01 1 329 61 61 SER HA H 5.345 0.01 1 330 61 61 SER C C 172.32 0.01 1 331 61 61 SER CA C 56.33 0.01 1 332 61 61 SER N N 119.20 0.01 1 333 62 62 PHE H H 8.772 0.01 1 334 62 62 PHE HA H 4.816 0.01 1 335 62 62 PHE C C 175.29 0.01 1 336 62 62 PHE CA C 55.34 0.01 1 337 62 62 PHE N N 117.50 0.01 1 338 63 63 ALA H H 8.867 0.01 1 339 63 63 ALA HA H 5.142 0.01 1 340 63 63 ALA CA C 52.10 0.01 1 341 63 63 ALA CB C 22.16 0.01 1 342 63 63 ALA N N 124.09 0.01 1 343 64 64 CYS H H 8.527 0.01 1 344 64 64 CYS HA H 6.215 0.01 1 345 64 64 CYS CA C 57.31 0.01 1 346 64 64 CYS CB C 31.54 0.01 1 347 64 64 CYS N N 123.31 0.01 1 348 65 65 THR H H 8.953 0.01 1 349 65 65 THR HA H 4.773 0.01 1 350 65 65 THR CB C 68.69 0.01 1 351 65 65 THR N N 119.46 0.01 1 352 66 66 GLN H H 10.108 0.01 1 353 66 66 GLN HA H 4.613 0.01 1 354 66 66 GLN HE21 H 7.482 . . 355 66 66 GLN HE22 H 6.864 . . 356 66 66 GLN N N 125.83 0.01 1 357 66 66 GLN NE2 N 111.75 . . 358 67 67 CYS H H 8.785 0.01 1 359 67 67 CYS HA H 5.160 0.01 1 360 67 67 CYS CB C 31.45 0.01 1 361 67 67 CYS N N 123.92 0.01 1 362 68 68 THR H H 7.454 0.01 1 363 68 68 THR HA H 4.607 0.01 1 364 68 68 THR CB C 70.69 0.01 1 365 68 68 THR N N 107.44 0.01 1 366 69 69 ALA H H 9.581 0.01 1 367 69 69 ALA HA H 4.560 0.01 1 368 69 69 ALA C C 177.54 0.01 1 369 69 69 ALA CA C 54.50 0.01 1 370 69 69 ALA CB C 19.76 0.01 1 371 69 69 ALA N N 130.02 0.01 1 372 70 70 HIS H H 8.561 0.01 1 373 70 70 HIS HA H 5.553 0.01 1 374 70 70 HIS C C 173.86 0.01 1 375 70 70 HIS CA C 56.11 0.01 1 376 70 70 HIS CB C 32.70 0.01 1 377 70 70 HIS N N 117.85 0.01 1 378 71 71 TYR H H 8.760 0.01 1 379 71 71 TYR HA H 4.885 0.01 1 380 71 71 TYR C C 171.82 0.01 1 381 71 71 TYR CA C 57.81 0.01 1 382 71 71 TYR CB C 42.39 0.01 1 383 71 71 TYR N N 122.35 0.01 1 384 72 72 TYR H H 7.489 0.01 1 385 72 72 TYR HA H 5.027 0.01 1 386 72 72 TYR C C 172.90 0.01 1 387 72 72 TYR CA C 56.54 0.01 1 388 72 72 TYR CB C 38.58 0.01 1 389 72 72 TYR N N 127.17 0.01 1 390 73 73 THR H H 8.529 0.01 1 391 73 73 THR HA H 4.083 0.01 1 392 73 73 THR C C 170.50 0.01 1 393 73 73 THR CA C 60.04 0.01 1 394 73 73 THR CB C 69.31 0.01 1 395 73 73 THR N N 119.03 0.01 1 396 74 74 SER H H 7.933 0.01 1 397 74 74 SER HA H 5.753 0.01 1 398 74 74 SER C C 173.36 0.01 1 399 74 74 SER CA C 56.78 0.01 1 400 74 74 SER CB C 66.22 0.01 1 401 74 74 SER N N 116.66 0.01 1 402 75 75 GLU H H 8.599 0.01 1 403 75 75 GLU HA H 4.935 0.01 1 404 75 75 GLU C C 174.33 0.01 1 405 75 75 GLU CA C 54.63 0.01 1 406 75 75 GLU N N 120.77 0.01 1 407 76 76 GLN H H 8.945 0.01 1 408 76 76 GLN HA H 4.066 0.01 1 409 76 76 GLN HE21 H 6.775 . . 410 76 76 GLN HE22 H 6.769 . . 411 76 76 GLN C C 175.76 0.01 1 412 76 76 GLN CA C 55.75 0.01 1 413 76 76 GLN CB C 30.38 0.01 1 414 76 76 GLN N N 124.53 0.01 1 415 76 76 GLN NE2 N 111.51 . . 416 77 77 VAL H H 8.711 0.01 1 417 77 77 VAL HA H 4.024 0.01 1 418 77 77 VAL C C 174.72 0.01 1 419 77 77 VAL CA C 60.94 0.01 1 420 77 77 VAL CB C 33.82 0.01 1 421 77 77 VAL N N 124.20 0.01 1 422 78 78 LYS H H 8.398 0.01 1 423 78 78 LYS HA H 3.712 0.01 1 424 78 78 LYS C C 176.01 0.01 1 425 78 78 LYS CA C 58.82 0.01 1 426 78 78 LYS CB C 31.48 0.01 1 427 78 78 LYS N N 127.44 0.01 1 428 79 79 TYR H H 7.820 0.01 1 429 79 79 TYR HA H 4.292 0.01 1 430 79 79 TYR C C 173.39 0.01 1 431 79 79 TYR CA C 56.99 0.01 1 432 79 79 TYR CB C 35.50 0.01 1 433 79 79 TYR N N 112.59 0.01 1 434 80 80 PHE H H 6.893 0.01 1 435 80 80 PHE HA H 5.374 0.01 1 436 80 80 PHE C C 173.33 0.01 1 437 80 80 PHE CA C 56.44 0.01 1 438 80 80 PHE CB C 43.48 0.01 1 439 80 80 PHE N N 114.34 0.01 1 440 81 81 THR H H 8.559 0.01 1 441 81 81 THR HA H 4.609 0.01 1 442 81 81 THR C C 172.96 0.01 1 443 81 81 THR CA C 59.05 0.01 1 444 81 81 THR CB C 71.19 0.01 1 445 81 81 THR N N 107.80 0.01 1 446 82 82 ASN H H 8.605 0.01 1 447 82 82 ASN HA H 4.373 0.01 1 448 82 82 ASN HD21 H 8.190 . . 449 82 82 ASN HD22 H 6.844 . . 450 82 82 ASN C C 175.21 0.01 1 451 82 82 ASN CA C 54.13 0.01 1 452 82 82 ASN CB C 37.04 0.01 1 453 82 82 ASN N N 118.42 0.01 1 454 82 82 ASN ND2 N 115.14 . . 455 83 83 ILE H H 8.294 0.01 1 456 83 83 ILE HA H 4.157 0.01 1 457 83 83 ILE CA C 59.8 0.01 1 458 83 83 ILE CB C 36.97 0.01 1 459 83 83 ILE N N 120.55 0.01 1 460 85 85 PRO HA H 4.725 0.01 1 461 85 85 PRO C C 177.01 0.01 1 462 85 85 PRO CA C 62.29 0.01 1 463 85 85 PRO CB C 32.66 0.01 1 464 86 86 VAL H H 8.303 0.01 1 465 86 86 VAL HA H 3.960 0.01 1 466 86 86 VAL C C 173.88 0.01 1 467 86 86 VAL CA C 61.10 0.01 1 468 86 86 VAL CB C 33.71 0.01 1 469 86 86 VAL N N 121.61 0.01 1 470 87 87 HIS H H 8.182 0.01 1 471 87 87 HIS HA H 5.157 0.01 1 472 87 87 HIS C C 174.07 0.01 1 473 87 87 HIS CA C 54.91 0.01 1 474 87 87 HIS CB C 33.91 0.01 1 475 87 87 HIS N N 126.66 0.01 1 476 88 88 PHE H H 7.915 0.01 1 477 88 88 PHE HA H 4.497 0.01 1 478 88 88 PHE C C 173.11 0.01 1 479 88 88 PHE CA C 56.68 0.01 1 480 88 88 PHE CB C 41.31 0.01 1 481 88 88 PHE N N 126.07 0.01 1 482 89 89 ASP H H 8.364 0.01 1 483 89 89 ASP HA H 5.727 0.01 1 484 89 89 ASP C C 176.07 0.01 1 485 89 89 ASP CA C 54.31 0.01 1 486 89 89 ASP CB C 41.66 0.01 1 487 89 89 ASP N N 125.68 0.01 1 488 90 90 VAL H H 8.728 0.01 1 489 90 90 VAL HA H 4.956 0.01 1 490 90 90 VAL C C 173.77 0.01 1 491 90 90 VAL CA C 58.19 0.01 1 492 90 90 VAL CB C 36.37 0.01 1 493 90 90 VAL N N 116.48 0.01 1 494 91 91 VAL H H 7.982 0.01 1 495 91 91 VAL HA H 4.605 0.01 1 496 91 91 VAL C C 176.62 0.01 1 497 91 91 VAL CA C 62.94 0.01 1 498 91 91 VAL CB C 31.41 0.01 1 499 91 91 VAL N N 121.12 0.01 1 500 92 92 CYS H H 9.921 0.01 1 501 92 92 CYS HA H 4.156 0.01 1 502 92 92 CYS C C 174.47 0.01 1 503 92 92 CYS CA C 58.88 0.01 1 504 92 92 CYS CB C 30.54 0.01 1 505 92 92 CYS N N 131.44 0.01 1 506 93 93 ALA H H 8.698 0.01 1 507 93 93 ALA HA H 3.758 0.01 1 508 93 93 ALA C C 180.43 0.01 1 509 93 93 ALA CA C 54.94 0.01 1 510 93 93 ALA CB C 19.22 0.01 1 511 93 93 ALA N N 118.66 0.01 1 512 94 94 ASP H H 7.738 0.01 1 513 94 94 ASP HA H 4.402 0.01 1 514 94 94 ASP C C 178.86 0.01 1 515 94 94 ASP CA C 57.49 0.01 1 516 94 94 ASP CB C 41.03 0.01 1 517 94 94 ASP N N 117.48 0.01 1 518 95 95 CYS H H 8.570 0.01 1 519 95 95 CYS HA H 3.990 0.01 1 520 95 95 CYS C C 178.44 0.01 1 521 95 95 CYS CA C 60.72 0.01 1 522 95 95 CYS CB C 31.52 0.01 1 523 95 95 CYS N N 126.70 0.01 1 524 96 96 GLU H H 8.591 0.01 1 525 96 96 GLU HA H 3.895 0.01 1 526 96 96 GLU C C 178.34 0.01 1 527 96 96 GLU CA C 59.14 0.01 1 528 96 96 GLU CB C 29.84 0.01 1 529 96 96 GLU N N 120.86 0.01 1 530 97 97 ARG H H 7.528 0.01 1 531 97 97 ARG HA H 4.200 0.01 1 532 97 97 ARG C C 177.55 0.01 1 533 97 97 ARG CA C 57.75 0.01 1 534 97 97 ARG CB C 30.39 0.01 1 535 97 97 ARG N N 117.39 0.01 1 536 98 98 SER H H 7.771 0.01 1 537 98 98 SER HA H 4.267 0.01 1 538 98 98 SER C C 175.40 0.01 1 539 98 98 SER CA C 60.22 0.01 1 540 98 98 SER CB C 63.44 0.01 1 541 98 98 SER N N 115.04 0.01 1 542 99 99 VAL H H 7.795 0.01 1 543 99 99 VAL HA H 3.987 0.01 1 544 99 99 VAL C C 176.94 0.01 1 545 99 99 VAL CA C 63.80 0.01 1 546 99 99 VAL CB C 32.29 0.01 1 547 99 99 VAL N N 120.63 0.01 1 548 100 100 GLN H H 8.060 0.01 1 549 100 100 GLN HA H 4.255 0.01 1 550 100 100 GLN HE21 H 7.544 . . 551 100 100 GLN HE22 H 6.806 . . 552 100 100 GLN C C 177.09 0.01 1 553 100 100 GLN CA C 57.06 0.01 1 554 100 100 GLN CB C 28.88 0.01 1 555 100 100 GLN N N 121.98 0.01 1 556 100 100 GLN NE2 N 112.19 . . 557 101 101 LEU H H 8.176 0.01 1 558 101 101 LEU HA H 4.234 0.01 1 559 101 101 LEU C C 177.95 0.01 1 560 101 101 LEU CA C 56.42 0.01 1 561 101 101 LEU CB C 41.30 0.01 1 562 101 101 LEU N N 122.63 0.01 1 563 102 102 ASP H H 8.209 0.01 1 564 102 102 ASP HA H 4.448 0.01 1 565 102 102 ASP C C 177.23 0.01 1 566 102 102 ASP CA C 56.33 0.01 1 567 102 102 ASP CB C 41.20 0.01 1 568 102 102 ASP N N 120.65 0.01 1 569 103 103 ASP H H 8.241 0.01 1 570 103 103 ASP HA H 4.469 0.01 1 571 103 103 ASP C C 177.91 0.01 1 572 103 103 ASP CA C 56.06 0.01 1 573 103 103 ASP CB C 41.10 0.01 1 574 103 103 ASP N N 120.64 0.01 1 575 104 104 GLU H H 8.236 0.01 1 576 104 104 GLU HA H 4.024 0.01 1 577 104 104 GLU C C 178.11 0.01 1 578 104 104 GLU CA C 59.17 0.01 1 579 104 104 GLU CB C 29.60 0.01 1 580 104 104 GLU N N 121.66 0.01 1 581 105 105 ILE H H 7.729 0.01 1 582 105 105 ILE HA H 3.129 0.01 1 583 105 105 ILE C C 177.64 0.01 1 584 105 105 ILE CA C 63.96 0.01 1 585 105 105 ILE CB C 36.40 0.01 1 586 105 105 ILE N N 119.92 0.01 1 587 106 106 ASP H H 7.655 0.01 1 588 106 106 ASP HA H 4.254 0.01 1 589 106 106 ASP C C 179.21 0.01 1 590 106 106 ASP CA C 57.81 0.01 1 591 106 106 ASP CB C 40.55 0.01 1 592 106 106 ASP N N 118.16 0.01 1 593 107 107 ARG H H 8.141 0.01 1 594 107 107 ARG HA H 4.047 0.01 1 595 107 107 ARG C C 179.06 0.01 1 596 107 107 ARG CA C 59.81 0.01 1 597 107 107 ARG CB C 29.60 0.01 1 598 107 107 ARG N N 121.31 0.01 1 599 108 108 GLU H H 8.269 0.01 1 600 108 108 GLU HA H 4.135 0.01 1 601 108 108 GLU C C 180.81 0.01 1 602 108 108 GLU CA C 59.83 0.01 1 603 108 108 GLU CB C 29.25 0.01 1 604 108 108 GLU N N 119.87 0.01 1 605 109 109 HIS H H 8.516 0.01 1 606 109 109 HIS HA H 4.470 0.01 1 607 109 109 HIS C C 176.69 0.01 1 608 109 109 HIS CA C 57.78 0.01 1 609 109 109 HIS CB C 28.31 0.01 1 610 109 109 HIS N N 118.06 0.01 1 611 110 110 GLN H H 8.502 0.01 1 612 110 110 GLN HA H 4.155 0.01 1 613 110 110 GLN C C 179.30 0.01 1 614 110 110 GLN CA C 59.72 0.01 1 615 110 110 GLN CB C 28.05 0.01 1 616 110 110 GLN N N 119.07 0.01 1 617 111 111 GLU H H 8.316 0.01 1 618 111 111 GLU HA H 4.148 0.01 1 619 111 111 GLU C C 179.92 0.01 1 620 111 111 GLU CA C 59.63 0.01 1 621 111 111 GLU CB C 29.78 0.01 1 622 111 111 GLU N N 120.22 0.01 1 623 112 112 ARG H H 7.877 0.01 1 624 112 112 ARG HA H 4.334 0.01 1 625 112 112 ARG C C 179.48 0.01 1 626 112 112 ARG CA C 57.78 0.01 1 627 112 112 ARG CB C 29.09 0.01 1 628 112 112 ARG N N 119.78 0.01 1 629 113 113 ASN H H 9.371 0.01 1 630 113 113 ASN HA H 4.917 0.01 1 631 113 113 ASN HD21 H 7.438 . . 632 113 113 ASN HD22 H 7.260 . . 633 113 113 ASN C C 178.17 0.01 1 634 113 113 ASN CA C 55.40 0.01 1 635 113 113 ASN CB C 37.06 0.01 1 636 113 113 ASN N N 119.70 0.01 1 637 113 113 ASN ND2 N 106.50 . . 638 114 114 ALA H H 8.163 0.01 1 639 114 114 ALA HA H 4.328 0.01 1 640 114 114 ALA C C 181.07 0.01 1 641 114 114 ALA CA C 55.48 0.01 1 642 114 114 ALA CB C 17.85 0.01 1 643 114 114 ALA N N 125.24 0.01 1 644 115 115 GLU H H 7.355 0.01 1 645 115 115 GLU HA H 4.329 0.01 1 646 115 115 GLU C C 179.48 0.01 1 647 115 115 GLU CA C 58.96 0.01 1 648 115 115 GLU CB C 29.47 0.01 1 649 115 115 GLU N N 120.34 0.01 1 650 116 116 ILE H H 8.448 0.01 1 651 116 116 ILE HA H 3.529 0.01 1 652 116 116 ILE C C 178.33 0.01 1 653 116 116 ILE CA C 66.04 0.01 1 654 116 116 ILE CB C 42.91 0.01 1 655 116 116 ILE N N 123.12 0.01 1 656 117 117 SER H H 8.956 0.01 1 657 117 117 SER HA H 4.503 0.01 1 658 117 117 SER C C 177.55 0.01 1 659 117 117 SER CA C 61.81 0.01 1 660 117 117 SER CB C 62.91 0.01 1 661 117 117 SER N N 115.32 0.01 1 662 118 118 ALA H H 7.667 0.01 1 663 118 118 ALA HA H 4.310 0.01 1 664 118 118 ALA C C 180.87 0.01 1 665 118 118 ALA CA C 55.32 0.01 1 666 118 118 ALA CB C 18.08 0.01 1 667 118 118 ALA N N 124.10 0.01 1 668 119 119 CYS H H 8.419 0.01 1 669 119 119 CYS HA H 4.157 0.01 1 670 119 119 CYS C C 178.25 0.01 1 671 119 119 CYS CA C 63.52 0.01 1 672 119 119 CYS CB C 27.06 0.01 1 673 119 119 CYS N N 119.38 0.01 1 674 120 120 ASN H H 8.862 0.01 1 675 120 120 ASN HA H 4.618 0.01 1 676 120 120 ASN HD21 H 7.056 . . 677 120 120 ASN HD22 H 7.042 . . 678 120 120 ASN C C 177.04 0.01 1 679 120 120 ASN CA C 55.36 0.01 1 680 120 120 ASN CB C 37.72 0.01 1 681 120 120 ASN N N 121.44 0.01 1 682 120 120 ASN ND2 N 108.95 . . 683 121 121 ALA H H 8.336 0.01 1 684 121 121 ALA HA H 4.170 0.01 1 685 121 121 ALA C C 181.06 0.01 1 686 121 121 ALA CA C 55.28 0.01 1 687 121 121 ALA CB C 17.98 0.01 1 688 121 121 ALA N N 122.52 0.01 1 689 122 122 ARG H H 7.928 0.01 1 690 122 122 ARG HA H 4.113 0.01 1 691 122 122 ARG C C 178.78 0.01 1 692 122 122 ARG CA C 59.41 0.01 1 693 122 122 ARG CB C 29.72 0.01 1 694 122 122 ARG N N 119.85 0.01 1 695 123 123 ALA H H 7.988 0.01 1 696 123 123 ALA HA H 3.941 0.01 1 697 123 123 ALA C C 179.97 0.01 1 698 123 123 ALA CA C 55.91 0.01 1 699 123 123 ALA CB C 17.80 0.01 1 700 123 123 ALA N N 123.19 0.01 1 701 124 124 LEU H H 8.159 0.01 1 702 124 124 LEU HA H 4.330 0.01 1 703 124 124 LEU C C 182.07 0.01 1 704 124 124 LEU CA C 57.94 0.01 1 705 124 124 LEU CB C 41.77 0.01 1 706 124 124 LEU N N 118.03 0.01 1 707 125 125 SER H H 8.014 0.01 1 708 125 125 SER HA H 4.697 0.01 1 709 125 125 SER C C 175.41 0.01 1 710 125 125 SER CA C 61.37 0.01 1 711 125 125 SER CB C 62.93 0.01 1 712 125 125 SER N N 116.17 0.01 1 713 126 126 GLU H H 7.742 0.01 1 714 126 126 GLU HA H 4.445 0.01 1 715 126 126 GLU C C 176.64 0.01 1 716 126 126 GLU CA C 55.96 0.01 1 717 126 126 GLU CB C 30.49 0.01 1 718 126 126 GLU N N 120.01 0.01 1 719 127 127 GLY H H 7.967 0.01 1 720 127 127 GLY HA2 H 3.834 0.01 2 721 127 127 GLY HA3 H 4.112 0.01 2 722 127 127 GLY C C 174.24 0.01 1 723 127 127 GLY CA C 46.07 0.01 1 724 127 127 GLY N N 108.37 0.01 1 725 128 128 ARG H H 8.283 0.01 1 726 128 128 ARG HA H 4.716 0.01 1 727 128 128 ARG CA C 53.55 0.01 1 728 128 128 ARG N N 121.06 0.01 1 729 129 129 PRO HA H 4.285 0.01 1 730 129 129 PRO C C 176.54 0.01 1 731 129 129 PRO CA C 62.82 0.01 1 732 129 129 PRO CB C 31.91 0.01 1 733 130 130 ALA H H 8.384 0.01 1 734 130 130 ALA HA H 4.413 0.01 1 735 130 130 ALA CA C 51.11 0.01 1 736 130 130 ALA CB C 17.83 0.01 1 737 130 130 ALA N N 126.12 0.01 1 738 131 131 SER HA H 4.710 0.01 1 739 131 131 SER C C 174.59 0.01 1 740 131 131 SER CA C 58.47 0.01 1 741 131 131 SER CB C 64.42 0.01 1 742 132 132 LEU H H 8.022 0.01 1 743 132 132 LEU HA H 4.355 0.01 1 744 132 132 LEU C C 177.06 0.01 1 745 132 132 LEU CA C 55.34 0.01 1 746 132 132 LEU CB C 43.15 0.01 1 747 132 132 LEU N N 123.30 0.01 1 748 133 133 VAL H H 9.095 0.01 1 749 133 133 VAL HA H 3.989 0.01 1 750 133 133 VAL C C 174.81 0.01 1 751 133 133 VAL CA C 60.83 0.01 1 752 133 133 VAL CB C 33.60 0.01 1 753 133 133 VAL N N 122.38 0.01 1 754 134 134 TYR H H 7.577 0.01 1 755 134 134 TYR HA H 4.457 0.01 1 756 134 134 TYR C C 176.31 0.01 1 757 134 134 TYR CA C 57.72 0.01 1 758 134 134 TYR CB C 37.61 0.01 1 759 134 134 TYR N N 119.87 0.01 1 760 135 135 LEU H H 9.978 0.01 1 761 135 135 LEU HA H 4.471 0.01 1 762 135 135 LEU C C 177.71 0.01 1 763 135 135 LEU CA C 56.05 0.01 1 764 135 135 LEU CB C 43.48 0.01 1 765 135 135 LEU N N 123.38 0.01 1 766 136 136 SER H H 8.154 0.01 1 767 136 136 SER HA H 4.178 0.01 1 768 136 136 SER C C 173.57 0.01 1 769 136 136 SER CA C 57.52 0.01 1 770 136 136 SER CB C 66.54 0.01 1 771 136 136 SER N N 114.27 0.01 1 772 137 137 ARG H H 9.025 0.01 1 773 137 137 ARG HA H 4.690 0.01 1 774 137 137 ARG C C 177.81 0.01 1 775 137 137 ARG CA C 58.87 0.01 1 776 137 137 ARG CB C 30.00 0.01 1 777 137 137 ARG N N 117.94 0.01 1 778 138 138 ASP H H 7.808 0.01 1 779 138 138 ASP HA H 4.615 0.01 1 780 138 138 ASP C C 175.87 0.01 1 781 138 138 ASP CA C 55.52 0.01 1 782 138 138 ASP CB C 41.98 0.01 1 783 138 138 ASP N N 116.61 0.01 1 784 139 139 ALA H H 7.290 0.01 1 785 139 139 ALA HA H 4.297 0.01 1 786 139 139 ALA C C 173.11 0.01 1 787 139 139 ALA CA C 54.33 0.01 1 788 139 139 ALA CB C 18.74 0.01 1 789 139 139 ALA N N 121.60 0.01 1 790 140 140 CYS H H 8.527 0.01 1 791 140 140 CYS HA H 4.444 0.01 1 792 140 140 CYS C C 173.31 0.01 1 793 140 140 CYS CA C 59.34 0.01 1 794 140 140 CYS CB C 31.78 0.01 1 795 140 140 CYS N N 129.73 0.01 1 796 141 141 ASP H H 7.222 0.01 1 797 141 141 ASP HA H 4.894 0.01 1 798 141 141 ASP C C 176.92 0.01 1 799 141 141 ASP CA C 52.93 0.01 1 800 141 141 ASP CB C 41.50 0.01 1 801 141 141 ASP N N 126.23 0.01 1 802 142 142 ILE H H 8.997 0.01 1 803 142 142 ILE HA H 4.350 0.01 1 804 142 142 ILE CA C 60.11 0.01 1 805 142 142 ILE CB C 38.36 0.01 1 806 142 142 ILE N N 126.93 0.01 1 807 143 143 PRO C C 179.75 0.01 1 808 143 143 PRO CA C 65.85 0.01 1 809 143 143 PRO CB C 31.54 0.01 1 810 144 144 GLU H H 9.069 0.01 1 811 144 144 GLU HA H 4.092 0.01 1 812 144 144 GLU C C 177.65 0.01 1 813 144 144 GLU CA C 59.84 0.01 1 814 144 144 GLU CB C 28.46 0.01 1 815 144 144 GLU N N 116.57 0.01 1 816 145 145 HIS H H 8.124 0.01 1 817 145 145 HIS HA H 4.607 0.01 1 818 145 145 HIS C C 176.33 0.01 1 819 145 145 HIS CA C 55.35 0.01 1 820 145 145 HIS CB C 31.52 0.01 1 821 145 145 HIS N N 117.40 0.01 1 822 146 146 SER H H 7.629 0.01 1 823 146 146 SER HA H 4.250 0.01 1 824 146 146 SER CA C 61.19 0.01 1 825 146 146 SER N N 115.67 0.01 1 826 147 147 GLY HA2 H 3.792 0.01 2 827 147 147 GLY HA3 H 4.423 0.01 2 828 147 147 GLY C C 174.48 0.01 1 829 147 147 GLY CA C 45.67 0.01 1 830 148 148 ARG H H 8.141 0.01 1 831 148 148 ARG HA H 4.457 0.01 1 832 148 148 ARG C C 176.64 0.01 1 833 148 148 ARG CA C 58.04 0.01 1 834 148 148 ARG CB C 31.24 0.01 1 835 148 148 ARG N N 121.38 0.01 1 836 149 149 CYS H H 8.006 0.01 1 837 149 149 CYS HA H 4.728 0.01 1 838 149 149 CYS C C 175.32 0.01 1 839 149 149 CYS CA C 58.62 0.01 1 840 149 149 CYS CB C 32.54 0.01 1 841 149 149 CYS N N 120.34 0.01 1 842 150 150 ARG H H 8.003 0.01 1 843 150 150 ARG HA H 4.302 0.01 1 844 150 150 ARG C C 173.80 0.01 1 845 150 150 ARG CA C 56.02 0.01 1 846 150 150 ARG CB C 29.14 0.01 1 847 150 150 ARG N N 122.55 0.01 1 848 151 151 PHE H H 8.230 0.01 1 849 151 151 PHE HA H 5.244 0.01 1 850 151 151 PHE C C 176.03 0.01 1 851 151 151 PHE CA C 56.80 0.01 1 852 151 151 PHE CB C 39.67 0.01 1 853 151 151 PHE N N 128.88 0.01 1 854 152 152 VAL H H 8.512 0.01 1 855 152 152 VAL HA H 3.696 0.01 1 856 152 152 VAL C C 173.67 0.01 1 857 152 152 VAL CA C 60.57 0.01 1 858 152 152 VAL CB C 33.33 0.01 1 859 152 152 VAL N N 131.23 0.01 1 860 153 153 LYS H H 7.583 0.01 1 861 153 153 LYS HA H 3.323 0.01 1 862 153 153 LYS C C 177.27 0.01 1 863 153 153 LYS CA C 58.72 0.01 1 864 153 153 LYS CB C 32.77 0.01 1 865 153 153 LYS N N 123.66 0.01 1 866 154 154 TYR H H 7.859 0.01 1 867 154 154 TYR HA H 4.832 0.01 1 868 154 154 TYR C C 175.00 0.01 1 869 154 154 TYR CA C 55.41 0.01 1 870 154 154 TYR CB C 37.05 0.01 1 871 154 154 TYR N N 115.64 0.01 1 872 155 155 LEU H H 7.564 0.01 1 873 155 155 LEU HA H 3.914 0.01 1 874 155 155 LEU C C 176.03 0.01 1 875 155 155 LEU CA C 57.04 0.01 1 876 155 155 LEU CB C 43.60 0.01 1 877 155 155 LEU N N 123.33 0.01 1 878 156 156 ASN H H 8.509 0.01 1 879 156 156 ASN HA H 4.951 0.01 1 880 156 156 ASN HD21 H 7.748 . . 881 156 156 ASN HD22 H 7.694 . . 882 156 156 ASN C C 173.84 0.01 1 883 156 156 ASN CA C 52.62 0.01 1 884 156 156 ASN CB C 40.18 0.01 1 885 156 156 ASN N N 115.39 0.01 1 886 156 156 ASN ND2 N 113.72 . . 887 157 157 PHE H H 7.584 0.01 1 888 157 157 PHE HA H 4.370 0.01 1 889 157 157 PHE CA C 59.58 0.01 1 890 157 157 PHE CB C 40.48 0.01 1 891 157 157 PHE N N 125.25 0.01 1 stop_ save_