data_25441 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone chemical shift assignments for human Rotavirus P[19] VP8* domain of VP4 ; _BMRB_accession_number 25441 _BMRB_flat_file_name bmr25441.str _Entry_type original _Submission_date 2015-01-19 _Accession_date 2015-01-19 _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 Ramelot Theresa A. . 2 Liu Yang . . 3 Huang Penwei . . 4 Liu Yan . . 5 Feizi Ten . . 6 Zhong Weiming . . 7 Wu Fang-Tzy . . 8 Tan Ming . . 9 Kennedy Michael A. . 10 Jiang Xi . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 142 "13C chemical shifts" 466 "15N chemical shifts" 142 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-03-29 update BMRB 'update entry citation' 2015-07-29 original author 'original release' stop_ _Original_release_date 2015-07-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Glycan Specificity of P[19] Rotavirus and Comparison with Those of Related P Genotypes. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27558427 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Yang . . 2 Ramelot Theresa A. . 3 Huang Pengwei . . 4 Liu Yan . . 5 Li Zhen . . 6 Feizi Ten . . 7 Zhong Weiming . . 8 Wu Fang-Tzy T. . 9 Tan Ming . . 10 Kennedy Michael A. . 11 Jiang Xi . . stop_ _Journal_abbreviation 'J. Virol.' _Journal_name_full 'Journal of virology' _Journal_volume 90 _Journal_issue 21 _Journal_ISSN 1098-5514 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9983 _Page_last 9996 _Year 2016 _Details . loop_ _Keyword VP4 VP8 carbohydrate rotavirus stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name VP8 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label VP8 $VP8 stop_ _System_molecular_weight 20000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'carbohydrate recognition domain of VP4' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_VP8 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common VP8 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'carbohydrate binding domain' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 188 _Mol_residue_sequence ; GSAPVNWGHGEINDSTTVEP VLDGPYQPVTFKPPNDYWIL INSNSNGVVLEGTNNTDVWV AIISIEPNVNSESRQYSLFG VNKQITVVNTSNKWKFMEMF RNNSNAEFQHKRTLTSSTKL VGILKHGGRLWTYHGETPNA TTDYSTTSNLNEISVTTYAE FYIIPRSQESKCTEYINTGL PPMQNTRN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -15 GLY 2 -14 SER 3 -13 ALA 4 -12 PRO 5 -11 VAL 6 -10 ASN 7 -9 TRP 8 -8 GLY 9 -7 HIS 10 -6 GLY 11 -5 GLU 12 -4 ILE 13 -3 ASN 14 -2 ASP 15 -1 SER 16 0 THR 17 1 THR 18 2 VAL 19 3 GLU 20 4 PRO 21 5 VAL 22 6 LEU 23 7 ASP 24 8 GLY 25 9 PRO 26 10 TYR 27 11 GLN 28 12 PRO 29 13 VAL 30 14 THR 31 15 PHE 32 16 LYS 33 17 PRO 34 18 PRO 35 19 ASN 36 20 ASP 37 21 TYR 38 22 TRP 39 23 ILE 40 24 LEU 41 25 ILE 42 26 ASN 43 27 SER 44 28 ASN 45 29 SER 46 30 ASN 47 31 GLY 48 32 VAL 49 33 VAL 50 34 LEU 51 35 GLU 52 36 GLY 53 37 THR 54 38 ASN 55 39 ASN 56 40 THR 57 41 ASP 58 42 VAL 59 43 TRP 60 44 VAL 61 45 ALA 62 46 ILE 63 47 ILE 64 48 SER 65 49 ILE 66 50 GLU 67 51 PRO 68 52 ASN 69 53 VAL 70 54 ASN 71 55 SER 72 56 GLU 73 57 SER 74 58 ARG 75 59 GLN 76 60 TYR 77 61 SER 78 62 LEU 79 63 PHE 80 64 GLY 81 65 VAL 82 66 ASN 83 67 LYS 84 68 GLN 85 69 ILE 86 70 THR 87 71 VAL 88 72 VAL 89 73 ASN 90 74 THR 91 75 SER 92 76 ASN 93 77 LYS 94 78 TRP 95 79 LYS 96 80 PHE 97 81 MET 98 82 GLU 99 83 MET 100 84 PHE 101 85 ARG 102 86 ASN 103 87 ASN 104 88 SER 105 89 ASN 106 90 ALA 107 91 GLU 108 92 PHE 109 93 GLN 110 94 HIS 111 95 LYS 112 96 ARG 113 97 THR 114 98 LEU 115 99 THR 116 100 SER 117 101 SER 118 102 THR 119 103 LYS 120 104 LEU 121 105 VAL 122 106 GLY 123 107 ILE 124 108 LEU 125 109 LYS 126 110 HIS 127 111 GLY 128 112 GLY 129 113 ARG 130 114 LEU 131 115 TRP 132 116 THR 133 117 TYR 134 118 HIS 135 119 GLY 136 120 GLU 137 121 THR 138 122 PRO 139 123 ASN 140 124 ALA 141 125 THR 142 126 THR 143 127 ASP 144 128 TYR 145 129 SER 146 130 THR 147 131 THR 148 132 SER 149 133 ASN 150 134 LEU 151 135 ASN 152 136 GLU 153 137 ILE 154 138 SER 155 139 VAL 156 140 THR 157 141 THR 158 142 TYR 159 143 ALA 160 144 GLU 161 145 PHE 162 146 TYR 163 147 ILE 164 148 ILE 165 149 PRO 166 150 ARG 167 151 SER 168 152 GLN 169 153 GLU 170 154 SER 171 155 LYS 172 156 CYS 173 157 THR 174 158 GLU 175 159 TYR 176 160 ILE 177 161 ASN 178 162 THR 179 163 GLY 180 164 LEU 181 165 PRO 182 166 PRO 183 167 MET 184 168 GLN 185 169 ASN 186 170 THR 187 171 ARG 188 172 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value GB DQ887060 . . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic _Details $VP8 'human rotavirus' 10912 Viruses . . . NIV929893 VP4 'P[19] VP8* domain of VP4 protein' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $VP8 'recombinant technology' . human Rotovirus NIV929893 PGEX-4T-1 'cloned into vector between BamHI and Sal1.' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $VP8 1.1 mM '[U-100% 13C; U-100% 15N]' Tris-HCl 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' EDTA 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.113 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' stop_ _Details linux save_ save_PINE _Saveframe_category software _Name PINE _Version 2.0 loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . http://pine.nmrfam.wisc.edu/ 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 II' _Field_strength 850 _Details 'no cold probe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details 'no cold probe' 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-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _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' 100 . mM pH 8.0 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'backbone assignments' 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_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' 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 VP8 _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 4 20 PRO C C 176.6 0.2 1 2 4 20 PRO CB C 32.1 0.2 1 3 5 21 VAL H H 8.34 0.02 1 4 5 21 VAL C C 174.8 0.2 1 5 5 21 VAL CA C 63.0 0.2 1 6 5 21 VAL CB C 32.9 0.2 1 7 5 21 VAL N N 120.6 0.2 1 8 6 22 LEU H H 7.91 0.02 1 9 6 22 LEU C C 175.4 0.2 1 10 6 22 LEU CA C 54.6 0.2 1 11 6 22 LEU CB C 43.7 0.2 1 12 6 22 LEU N N 121.5 0.2 1 13 7 23 ASP H H 8.63 0.02 1 14 7 23 ASP C C 174.8 0.2 1 15 7 23 ASP CA C 53.6 0.2 1 16 7 23 ASP CB C 42.3 0.2 1 17 7 23 ASP N N 125.1 0.2 1 18 8 24 GLY H H 7.94 0.02 1 19 8 24 GLY C C 170.3 0.2 1 20 8 24 GLY CA C 44.3 0.2 1 21 8 24 GLY N N 112.0 0.2 1 22 9 25 PRO C C 175.4 0.2 1 23 9 25 PRO CA C 61.2 0.2 1 24 9 25 PRO CB C 34.2 0.2 1 25 10 26 TYR H H 9.07 0.02 1 26 10 26 TYR C C 174.7 0.2 1 27 10 26 TYR CA C 56.6 0.2 1 28 10 26 TYR CB C 39.5 0.2 1 29 10 26 TYR N N 122.5 0.2 1 30 11 27 GLN H H 8.05 0.02 1 31 11 27 GLN C C 172.9 0.2 1 32 11 27 GLN CA C 54.0 0.2 1 33 11 27 GLN CB C 27.7 0.2 1 34 11 27 GLN N N 117.7 0.2 1 35 12 28 PRO C C 175.6 0.2 1 36 12 28 PRO CA C 64.4 0.2 1 37 12 28 PRO CB C 32.1 0.2 1 38 13 29 VAL H H 7.59 0.02 1 39 13 29 VAL C C 173.5 0.2 1 40 13 29 VAL CA C 60.9 0.2 1 41 13 29 VAL CB C 35.3 0.2 1 42 13 29 VAL N N 121.1 0.2 1 43 14 30 THR H H 7.79 0.02 1 44 14 30 THR C C 174.1 0.2 1 45 14 30 THR CA C 62.4 0.2 1 46 14 30 THR CB C 69.9 0.2 1 47 14 30 THR N N 118.9 0.2 1 48 15 31 PHE H H 9.79 0.02 1 49 15 31 PHE C C 171.8 0.2 1 50 15 31 PHE CA C 54.9 0.2 1 51 15 31 PHE CB C 40.4 0.2 1 52 15 31 PHE N N 126.7 0.2 1 53 18 34 PRO C C 176.2 0.2 1 54 18 34 PRO CA C 61.9 0.2 1 55 18 34 PRO CB C 31.7 0.2 1 56 19 35 ASN H H 8.75 0.02 1 57 19 35 ASN C C 176.4 0.2 1 58 19 35 ASN CA C 53.9 0.2 1 59 19 35 ASN CB C 37.3 0.2 1 60 19 35 ASN N N 120.9 0.2 1 61 20 36 ASP H H 9.42 0.02 1 62 20 36 ASP C C 174.1 0.2 1 63 20 36 ASP CA C 57.6 0.2 1 64 20 36 ASP CB C 37.5 0.2 1 65 20 36 ASP N N 111.2 0.2 1 66 21 37 TYR H H 7.35 0.02 1 67 21 37 TYR C C 175.1 0.2 1 68 21 37 TYR CA C 58.2 0.2 1 69 21 37 TYR CB C 41.1 0.2 1 70 21 37 TYR N N 116.8 0.2 1 71 22 38 TRP H H 9.76 0.02 1 72 22 38 TRP C C 175.3 0.2 1 73 22 38 TRP CA C 59.1 0.2 1 74 22 38 TRP CB C 31.2 0.2 1 75 22 38 TRP N N 125.4 0.2 1 76 23 39 ILE H H 9.30 0.02 1 77 23 39 ILE C C 175.1 0.2 1 78 23 39 ILE CA C 58.7 0.2 1 79 23 39 ILE CB C 35.8 0.2 1 80 23 39 ILE N N 124.3 0.2 1 81 24 40 LEU H H 9.58 0.02 1 82 24 40 LEU C C 175.1 0.2 1 83 24 40 LEU CA C 53.8 0.2 1 84 24 40 LEU CB C 44.8 0.2 1 85 24 40 LEU N N 129.6 0.2 1 86 25 41 ILE H H 9.91 0.02 1 87 25 41 ILE C C 174.8 0.2 1 88 25 41 ILE CA C 61.5 0.2 1 89 25 41 ILE CB C 40.4 0.2 1 90 25 41 ILE N N 127.6 0.2 1 91 26 42 ASN H H 8.83 0.02 1 92 26 42 ASN C C 173.4 0.2 1 93 26 42 ASN CA C 50.9 0.2 1 94 26 42 ASN CB C 38.1 0.2 1 95 26 42 ASN N N 126.0 0.2 1 96 27 43 SER H H 7.62 0.02 1 97 27 43 SER C C 172.2 0.2 1 98 27 43 SER CA C 59.6 0.2 1 99 27 43 SER CB C 64.5 0.2 1 100 27 43 SER N N 117.9 0.2 1 101 30 46 ASN C C 175.3 0.2 1 102 30 46 ASN CA C 53.8 0.2 1 103 30 46 ASN CB C 37.5 0.2 1 104 31 47 GLY H H 8.87 0.02 1 105 31 47 GLY C C 173.7 0.2 1 106 31 47 GLY CA C 44.6 0.2 1 107 31 47 GLY N N 106.0 0.2 1 108 32 48 VAL H H 8.84 0.02 1 109 32 48 VAL C C 176.3 0.2 1 110 32 48 VAL CA C 64.6 0.2 1 111 32 48 VAL CB C 31.6 0.2 1 112 32 48 VAL N N 122.8 0.2 1 113 33 49 VAL H H 9.33 0.02 1 114 33 49 VAL C C 175.3 0.2 1 115 33 49 VAL CA C 64.3 0.2 1 116 33 49 VAL CB C 34.2 0.2 1 117 33 49 VAL N N 127.4 0.2 1 118 34 50 LEU H H 7.48 0.02 1 119 34 50 LEU C C 174.3 0.2 1 120 34 50 LEU CA C 53.6 0.2 1 121 34 50 LEU CB C 44.7 0.2 1 122 34 50 LEU N N 115.3 0.2 1 123 35 51 GLU H H 8.77 0.02 1 124 35 51 GLU C C 175.6 0.2 1 125 35 51 GLU CA C 55.1 0.2 1 126 35 51 GLU CB C 34.3 0.2 1 127 35 51 GLU N N 121.3 0.2 1 128 36 52 GLY H H 10.09 0.02 1 129 36 52 GLY C C 171.6 0.2 1 130 36 52 GLY CA C 45.6 0.2 1 131 36 52 GLY N N 109.5 0.2 1 132 37 53 THR H H 8.71 0.02 1 133 37 53 THR C C 172.2 0.2 1 134 37 53 THR CA C 59.7 0.2 1 135 37 53 THR CB C 70.0 0.2 1 136 37 53 THR N N 115.3 0.2 1 137 38 54 ASN H H 7.15 0.02 1 138 38 54 ASN C C 174.9 0.2 1 139 38 54 ASN CA C 51.9 0.2 1 140 38 54 ASN CB C 38.7 0.2 1 141 38 54 ASN N N 121.7 0.2 1 142 39 55 ASN H H 9.21 0.02 1 143 39 55 ASN C C 173.9 0.2 1 144 39 55 ASN CA C 55.8 0.2 1 145 39 55 ASN CB C 38.8 0.2 1 146 39 55 ASN N N 114.5 0.2 1 147 40 56 THR H H 7.74 0.02 1 148 40 56 THR C C 173.5 0.2 1 149 40 56 THR CA C 62.7 0.2 1 150 40 56 THR CB C 69.7 0.2 1 151 40 56 THR N N 110.1 0.2 1 152 41 57 ASP H H 8.12 0.02 1 153 41 57 ASP C C 175.5 0.2 1 154 41 57 ASP CA C 52.8 0.2 1 155 41 57 ASP CB C 41.7 0.2 1 156 41 57 ASP N N 121.2 0.2 1 157 42 58 VAL H H 7.58 0.02 1 158 42 58 VAL C C 174.4 0.2 1 159 42 58 VAL CA C 62.5 0.2 1 160 42 58 VAL CB C 37.1 0.2 1 161 42 58 VAL N N 117.9 0.2 1 162 43 59 TRP H H 7.99 0.02 1 163 43 59 TRP C C 172.8 0.2 1 164 43 59 TRP CA C 59.6 0.2 1 165 43 59 TRP CB C 33.8 0.2 1 166 43 59 TRP N N 130.3 0.2 1 167 44 60 VAL H H 9.80 0.02 1 168 44 60 VAL C C 172.6 0.2 1 169 44 60 VAL CA C 58.0 0.2 1 170 44 60 VAL CB C 35.9 0.2 1 171 44 60 VAL N N 120.3 0.2 1 172 45 61 ALA H H 9.35 0.02 1 173 45 61 ALA C C 175.4 0.2 1 174 45 61 ALA CA C 50.8 0.2 1 175 45 61 ALA CB C 23.1 0.2 1 176 45 61 ALA N N 128.3 0.2 1 177 46 62 ILE H H 8.38 0.02 1 178 46 62 ILE C C 175.0 0.2 1 179 46 62 ILE CA C 59.5 0.2 1 180 46 62 ILE CB C 40.3 0.2 1 181 46 62 ILE N N 120.9 0.2 1 182 47 63 ILE H H 8.99 0.02 1 183 47 63 ILE C C 174.2 0.2 1 184 47 63 ILE CA C 59.9 0.2 1 185 47 63 ILE CB C 40.9 0.2 1 186 47 63 ILE N N 127.4 0.2 1 187 48 64 SER H H 9.50 0.02 1 188 48 64 SER C C 174.7 0.2 1 189 48 64 SER CA C 56.2 0.2 1 190 48 64 SER CB C 64.1 0.2 1 191 48 64 SER N N 121.1 0.2 1 192 49 65 ILE H H 9.62 0.02 1 193 49 65 ILE C C 172.6 0.2 1 194 49 65 ILE CA C 61.6 0.2 1 195 49 65 ILE CB C 40.0 0.2 1 196 49 65 ILE N N 133.2 0.2 1 197 50 66 GLU H H 10.29 0.02 1 198 50 66 GLU C C 171.8 0.2 1 199 50 66 GLU CA C 55.0 0.2 1 200 50 66 GLU N N 129.5 0.2 1 201 51 67 PRO C C 176.6 0.2 1 202 51 67 PRO CA C 62.9 0.2 1 203 51 67 PRO CB C 33.3 0.2 1 204 52 68 ASN H H 7.92 0.02 1 205 52 68 ASN C C 173.6 0.2 1 206 52 68 ASN CA C 55.1 0.2 1 207 52 68 ASN CB C 37.1 0.2 1 208 52 68 ASN N N 115.7 0.2 1 209 53 69 VAL H H 8.38 0.02 1 210 53 69 VAL C C 176.6 0.2 1 211 53 69 VAL CA C 61.7 0.2 1 212 53 69 VAL CB C 35.6 0.2 1 213 53 69 VAL N N 122.5 0.2 1 214 54 70 ASN H H 8.59 0.02 1 215 54 70 ASN C C 173.9 0.2 1 216 54 70 ASN CA C 53.0 0.2 1 217 54 70 ASN CB C 38.9 0.2 1 218 54 70 ASN N N 127.7 0.2 1 219 55 71 SER H H 7.97 0.02 1 220 55 71 SER C C 175.6 0.2 1 221 55 71 SER CA C 59.1 0.2 1 222 55 71 SER CB C 62.8 0.2 1 223 55 71 SER N N 111.9 0.2 1 224 56 72 GLU H H 8.98 0.02 1 225 56 72 GLU C C 174.0 0.2 1 226 56 72 GLU CA C 55.1 0.2 1 227 56 72 GLU CB C 32.2 0.2 1 228 56 72 GLU N N 124.3 0.2 1 229 57 73 SER H H 8.63 0.02 1 230 57 73 SER C C 174.5 0.2 1 231 57 73 SER CA C 57.7 0.2 1 232 57 73 SER CB C 63.1 0.2 1 233 57 73 SER N N 116.7 0.2 1 234 58 74 ARG H H 8.90 0.02 1 235 58 74 ARG C C 172.9 0.2 1 236 58 74 ARG CA C 55.5 0.2 1 237 58 74 ARG CB C 34.8 0.2 1 238 58 74 ARG N N 127.8 0.2 1 239 59 75 GLN H H 7.90 0.02 1 240 59 75 GLN C C 174.9 0.2 1 241 59 75 GLN CA C 54.1 0.2 1 242 59 75 GLN CB C 31.0 0.2 1 243 59 75 GLN N N 118.8 0.2 1 244 60 76 TYR H H 8.86 0.02 1 245 60 76 TYR C C 174.0 0.2 1 246 60 76 TYR CA C 56.5 0.2 1 247 60 76 TYR CB C 42.4 0.2 1 248 60 76 TYR N N 122.6 0.2 1 249 61 77 SER H H 8.63 0.02 1 250 61 77 SER C C 173.7 0.2 1 251 61 77 SER CA C 56.6 0.2 1 252 61 77 SER CB C 62.3 0.2 1 253 61 77 SER N N 117.5 0.2 1 254 62 78 LEU H H 8.69 0.02 1 255 62 78 LEU C C 176.1 0.2 1 256 62 78 LEU CA C 52.7 0.2 1 257 62 78 LEU CB C 42.8 0.2 1 258 62 78 LEU N N 127.4 0.2 1 259 63 79 PHE H H 9.69 0.02 1 260 63 79 PHE C C 176.7 0.2 1 261 63 79 PHE CA C 58.7 0.2 1 262 63 79 PHE CB C 35.5 0.2 1 263 63 79 PHE N N 125.3 0.2 1 264 64 80 GLY H H 8.53 0.02 1 265 64 80 GLY C C 173.8 0.2 1 266 64 80 GLY CA C 45.3 0.2 1 267 64 80 GLY N N 103.4 0.2 1 268 65 81 VAL H H 7.75 0.02 1 269 65 81 VAL C C 174.8 0.2 1 270 65 81 VAL CA C 61.1 0.2 1 271 65 81 VAL CB C 34.3 0.2 1 272 65 81 VAL N N 121.7 0.2 1 273 66 82 ASN H H 8.69 0.02 1 274 66 82 ASN C C 175.1 0.2 1 275 66 82 ASN CA C 53.8 0.2 1 276 66 82 ASN CB C 38.7 0.2 1 277 66 82 ASN N N 125.1 0.2 1 278 67 83 LYS H H 9.40 0.02 1 279 67 83 LYS C C 174.8 0.2 1 280 67 83 LYS CA C 53.5 0.2 1 281 67 83 LYS CB C 35.3 0.2 1 282 67 83 LYS N N 125.3 0.2 1 283 68 84 GLN H H 8.58 0.02 1 284 68 84 GLN C C 175.8 0.2 1 285 68 84 GLN CA C 54.8 0.2 1 286 68 84 GLN CB C 29.4 0.2 1 287 68 84 GLN N N 122.3 0.2 1 288 69 85 ILE H H 9.34 0.02 1 289 69 85 ILE C C 175.0 0.2 1 290 69 85 ILE CA C 60.4 0.2 1 291 69 85 ILE CB C 42.3 0.2 1 292 69 85 ILE N N 127.1 0.2 1 293 70 86 THR H H 8.74 0.02 1 294 70 86 THR C C 174.0 0.2 1 295 70 86 THR CA C 63.3 0.2 1 296 70 86 THR CB C 68.5 0.2 1 297 70 86 THR N N 124.4 0.2 1 298 71 87 VAL H H 9.21 0.02 1 299 71 87 VAL C C 172.3 0.2 1 300 71 87 VAL CA C 58.8 0.2 1 301 71 87 VAL CB C 35.2 0.2 1 302 71 87 VAL N N 123.2 0.2 1 303 72 88 VAL H H 8.04 0.02 1 304 72 88 VAL C C 172.4 0.2 1 305 72 88 VAL CA C 60.6 0.2 1 306 72 88 VAL CB C 34.3 0.2 1 307 72 88 VAL N N 116.4 0.2 1 308 73 89 ASN H H 9.31 0.02 1 309 73 89 ASN C C 174.9 0.2 1 310 73 89 ASN CA C 52.8 0.2 1 311 73 89 ASN CB C 38.9 0.2 1 312 73 89 ASN N N 120.2 0.2 1 313 74 90 THR C C 174.3 0.2 1 314 74 90 THR CA C 61.0 0.2 1 315 74 90 THR CB C 68.0 0.2 1 316 75 91 SER H H 7.56 0.02 1 317 75 91 SER C C 171.9 0.2 1 318 75 91 SER CA C 57.5 0.2 1 319 75 91 SER CB C 65.3 0.2 1 320 75 91 SER N N 117.2 0.2 1 321 76 92 ASN H H 8.16 0.02 1 322 76 92 ASN C C 175.5 0.2 1 323 76 92 ASN CA C 53.3 0.2 1 324 76 92 ASN CB C 38.8 0.2 1 325 76 92 ASN N N 116.5 0.2 1 326 77 93 LYS H H 8.60 0.02 1 327 77 93 LYS C C 174.7 0.2 1 328 77 93 LYS CA C 55.5 0.2 1 329 77 93 LYS CB C 35.2 0.2 1 330 77 93 LYS N N 122.1 0.2 1 331 78 94 TRP H H 8.10 0.02 1 332 78 94 TRP C C 173.8 0.2 1 333 78 94 TRP CA C 59.1 0.2 1 334 78 94 TRP N N 120.7 0.2 1 335 79 95 LYS H H 8.83 0.02 1 336 79 95 LYS C C 173.3 0.2 1 337 79 95 LYS CA C 55.1 0.2 1 338 79 95 LYS CB C 37.0 0.2 1 339 79 95 LYS N N 124.1 0.2 1 340 80 96 PHE H H 9.80 0.02 1 341 80 96 PHE C C 177.5 0.2 1 342 80 96 PHE CA C 55.8 0.2 1 343 80 96 PHE CB C 39.0 0.2 1 344 80 96 PHE N N 124.5 0.2 1 345 81 97 MET H H 9.69 0.02 1 346 81 97 MET C C 173.6 0.2 1 347 81 97 MET CA C 55.6 0.2 1 348 81 97 MET CB C 36.4 0.2 1 349 81 97 MET N N 124.7 0.2 1 350 82 98 GLU H H 9.07 0.02 1 351 82 98 GLU C C 174.7 0.2 1 352 82 98 GLU CA C 56.2 0.2 1 353 82 98 GLU CB C 30.1 0.2 1 354 82 98 GLU N N 126.4 0.2 1 355 83 99 MET H H 9.65 0.02 1 356 83 99 MET C C 176.5 0.2 1 357 83 99 MET CA C 51.9 0.2 1 358 83 99 MET CB C 30.5 0.2 1 359 83 99 MET N N 127.1 0.2 1 360 84 100 PHE H H 9.84 0.02 1 361 84 100 PHE C C 175.2 0.2 1 362 84 100 PHE CA C 57.5 0.2 1 363 84 100 PHE CB C 47.0 0.2 1 364 84 100 PHE N N 123.3 0.2 1 365 85 101 ARG H H 8.08 0.02 1 366 85 101 ARG C C 172.9 0.2 1 367 85 101 ARG CA C 56.0 0.2 1 368 85 101 ARG CB C 30.8 0.2 1 369 85 101 ARG N N 122.7 0.2 1 370 86 102 ASN H H 8.58 0.02 1 371 86 102 ASN C C 174.4 0.2 1 372 86 102 ASN CA C 51.1 0.2 1 373 86 102 ASN CB C 40.0 0.2 1 374 86 102 ASN N N 115.1 0.2 1 375 87 103 ASN H H 6.68 0.02 1 376 87 103 ASN C C 174.3 0.2 1 377 87 103 ASN CA C 53.0 0.2 1 378 87 103 ASN CB C 42.0 0.2 1 379 87 103 ASN N N 113.4 0.2 1 380 88 104 SER C C 173.7 0.2 1 381 88 104 SER CA C 59.9 0.2 1 382 88 104 SER CB C 62.8 0.2 1 383 89 105 ASN H H 8.12 0.02 1 384 89 105 ASN C C 174.6 0.2 1 385 89 105 ASN CA C 52.6 0.2 1 386 89 105 ASN CB C 39.3 0.2 1 387 89 105 ASN N N 117.7 0.2 1 388 90 106 ALA H H 6.82 0.02 1 389 90 106 ALA C C 176.8 0.2 1 390 90 106 ALA CA C 51.0 0.2 1 391 90 106 ALA CB C 21.6 0.2 1 392 90 106 ALA N N 122.2 0.2 1 393 91 107 GLU H H 8.38 0.02 1 394 91 107 GLU C C 176.8 0.2 1 395 91 107 GLU CA C 54.5 0.2 1 396 91 107 GLU CB C 30.2 0.2 1 397 91 107 GLU N N 118.7 0.2 1 398 92 108 PHE H H 9.27 0.02 1 399 92 108 PHE C C 176.0 0.2 1 400 92 108 PHE CA C 60.4 0.2 1 401 92 108 PHE CB C 40.4 0.2 1 402 92 108 PHE N N 119.8 0.2 1 403 93 109 GLN H H 9.10 0.02 1 404 93 109 GLN C C 175.9 0.2 1 405 93 109 GLN CA C 53.9 0.2 1 406 93 109 GLN CB C 31.9 0.2 1 407 93 109 GLN N N 120.6 0.2 1 408 94 110 HIS C C 174.2 0.2 1 409 94 110 HIS CA C 54.5 0.2 1 410 95 111 LYS H H 9.41 0.02 1 411 95 111 LYS C C 175.6 0.2 1 412 95 111 LYS CA C 58.6 0.2 1 413 95 111 LYS CB C 36.0 0.2 1 414 95 111 LYS N N 133.4 0.2 1 415 96 112 ARG H H 7.67 0.02 1 416 96 112 ARG C C 175.6 0.2 1 417 96 112 ARG CA C 55.2 0.2 1 418 96 112 ARG CB C 38.8 0.2 1 419 96 112 ARG N N 115.2 0.2 1 420 97 113 THR H H 9.42 0.02 1 421 97 113 THR C C 172.3 0.2 1 422 97 113 THR CA C 62.5 0.2 1 423 97 113 THR CB C 71.8 0.2 1 424 97 113 THR N N 118.3 0.2 1 425 98 114 LEU H H 9.30 0.02 1 426 98 114 LEU C C 174.5 0.2 1 427 98 114 LEU CA C 53.7 0.2 1 428 98 114 LEU CB C 45.5 0.2 1 429 98 114 LEU N N 130.7 0.2 1 430 99 115 THR H H 9.59 0.02 1 431 99 115 THR C C 174.7 0.2 1 432 99 115 THR CA C 62.4 0.2 1 433 99 115 THR CB C 68.9 0.2 1 434 99 115 THR N N 127.4 0.2 1 435 100 116 SER H H 10.02 0.02 1 436 100 116 SER C C 175.6 0.2 1 437 100 116 SER CA C 55.7 0.2 1 438 100 116 SER CB C 66.2 0.2 1 439 100 116 SER N N 119.7 0.2 1 440 101 117 SER H H 8.28 0.02 1 441 101 117 SER C C 174.7 0.2 1 442 101 117 SER CA C 58.8 0.2 1 443 101 117 SER CB C 64.1 0.2 1 444 101 117 SER N N 121.4 0.2 1 445 102 118 THR H H 8.56 0.02 1 446 102 118 THR C C 174.8 0.2 1 447 102 118 THR CA C 61.9 0.2 1 448 102 118 THR CB C 69.7 0.2 1 449 102 118 THR N N 114.1 0.2 1 450 103 119 LYS H H 8.01 0.02 1 451 103 119 LYS C C 173.1 0.2 1 452 103 119 LYS CA C 59.5 0.2 1 453 103 119 LYS CB C 27.9 0.2 1 454 103 119 LYS N N 111.2 0.2 1 455 104 120 LEU H H 7.01 0.02 1 456 104 120 LEU C C 175.2 0.2 1 457 104 120 LEU CA C 53.7 0.2 1 458 104 120 LEU CB C 44.0 0.2 1 459 104 120 LEU N N 118.7 0.2 1 460 105 121 VAL H H 8.14 0.02 1 461 105 121 VAL C C 174.1 0.2 1 462 105 121 VAL CA C 59.9 0.2 1 463 105 121 VAL CB C 35.5 0.2 1 464 105 121 VAL N N 116.5 0.2 1 465 106 122 GLY H H 8.27 0.02 1 466 106 122 GLY C C 173.3 0.2 1 467 106 122 GLY CA C 44.5 0.2 1 468 106 122 GLY N N 109.7 0.2 1 469 107 123 ILE H H 9.22 0.02 1 470 107 123 ILE C C 171.9 0.2 1 471 107 123 ILE CA C 61.0 0.2 1 472 107 123 ILE CB C 42.2 0.2 1 473 107 123 ILE N N 119.7 0.2 1 474 108 124 LEU H H 8.24 0.02 1 475 108 124 LEU C C 175.1 0.2 1 476 108 124 LEU CA C 53.8 0.2 1 477 108 124 LEU CB C 43.1 0.2 1 478 108 124 LEU N N 127.7 0.2 1 479 109 125 LYS H H 9.11 0.02 1 480 109 125 LYS C C 174.4 0.2 1 481 109 125 LYS CA C 55.1 0.2 1 482 109 125 LYS CB C 32.3 0.2 1 483 109 125 LYS N N 126.9 0.2 1 484 110 126 HIS H H 9.17 0.02 1 485 110 126 HIS C C 176.2 0.2 1 486 110 126 HIS CA C 57.6 0.2 1 487 110 126 HIS CB C 32.5 0.2 1 488 110 126 HIS N N 122.0 0.2 1 489 112 128 GLY C C 172.4 0.2 1 490 112 128 GLY CA C 45.7 0.2 1 491 113 129 ARG H H 7.49 0.02 1 492 113 129 ARG C C 171.4 0.2 1 493 113 129 ARG CA C 54.2 0.2 1 494 113 129 ARG CB C 36.1 0.2 1 495 113 129 ARG N N 117.8 0.2 1 496 114 130 LEU H H 8.27 0.02 1 497 114 130 LEU C C 176.4 0.2 1 498 114 130 LEU CA C 52.4 0.2 1 499 114 130 LEU CB C 46.0 0.2 1 500 114 130 LEU N N 121.8 0.2 1 501 115 131 TRP H H 10.15 0.02 1 502 115 131 TRP C C 174.6 0.2 1 503 115 131 TRP CA C 56.2 0.2 1 504 115 131 TRP CB C 30.9 0.2 1 505 115 131 TRP N N 130.7 0.2 1 506 116 132 THR H H 8.70 0.02 1 507 116 132 THR C C 173.4 0.2 1 508 116 132 THR CA C 59.2 0.2 1 509 116 132 THR CB C 72.7 0.2 1 510 116 132 THR N N 111.0 0.2 1 511 117 133 TYR H H 9.52 0.02 1 512 117 133 TYR C C 176.2 0.2 1 513 117 133 TYR CA C 58.1 0.2 1 514 117 133 TYR CB C 41.6 0.2 1 515 117 133 TYR N N 117.0 0.2 1 516 118 134 HIS H H 9.84 0.02 1 517 118 134 HIS C C 172.9 0.2 1 518 118 134 HIS CA C 55.4 0.2 1 519 118 134 HIS CB C 34.7 0.2 1 520 118 134 HIS N N 116.7 0.2 1 521 119 135 GLY H H 9.00 0.02 1 522 119 135 GLY C C 172.9 0.2 1 523 119 135 GLY CA C 43.6 0.2 1 524 119 135 GLY N N 106.5 0.2 1 525 120 136 GLU H H 8.74 0.02 1 526 120 136 GLU C C 177.8 0.2 1 527 120 136 GLU CA C 53.4 0.2 1 528 120 136 GLU CB C 31.6 0.2 1 529 120 136 GLU N N 123.1 0.2 1 530 121 137 THR H H 9.18 0.02 1 531 121 137 THR C C 173.8 0.2 1 532 121 137 THR CA C 61.4 0.2 1 533 121 137 THR CB C 67.9 0.2 1 534 121 137 THR N N 120.8 0.2 1 535 122 138 PRO C C 174.0 0.2 1 536 122 138 PRO CA C 63.8 0.2 1 537 122 138 PRO CB C 31.6 0.2 1 538 123 139 ASN H H 9.18 0.02 1 539 123 139 ASN C C 174.9 0.2 1 540 123 139 ASN CA C 52.9 0.2 1 541 123 139 ASN CB C 40.3 0.2 1 542 123 139 ASN N N 122.4 0.2 1 543 124 140 ALA H H 9.58 0.02 1 544 124 140 ALA C C 178.4 0.2 1 545 124 140 ALA CA C 53.6 0.2 1 546 124 140 ALA CB C 19.7 0.2 1 547 124 140 ALA N N 126.4 0.2 1 548 125 141 THR H H 8.72 0.02 1 549 125 141 THR C C 173.4 0.2 1 550 125 141 THR CA C 59.7 0.2 1 551 125 141 THR CB C 71.7 0.2 1 552 125 141 THR N N 113.0 0.2 1 553 126 142 THR H H 8.11 0.02 1 554 126 142 THR C C 175.4 0.2 1 555 126 142 THR CA C 60.4 0.2 1 556 126 142 THR CB C 72.1 0.2 1 557 126 142 THR N N 109.8 0.2 1 558 127 143 ASP H H 9.47 0.02 1 559 127 143 ASP C C 174.0 0.2 1 560 127 143 ASP CA C 53.4 0.2 1 561 127 143 ASP CB C 44.4 0.2 1 562 127 143 ASP N N 118.9 0.2 1 563 128 144 TYR H H 7.86 0.02 1 564 128 144 TYR C C 176.4 0.2 1 565 128 144 TYR CA C 55.3 0.2 1 566 128 144 TYR CB C 41.1 0.2 1 567 128 144 TYR N N 112.3 0.2 1 568 129 145 SER H H 8.78 0.02 1 569 129 145 SER C C 173.1 0.2 1 570 129 145 SER CA C 57.4 0.2 1 571 129 145 SER CB C 64.6 0.2 1 572 129 145 SER N N 117.3 0.2 1 573 130 146 THR C C 172.2 0.2 1 574 130 146 THR CA C 62.0 0.2 1 575 130 146 THR CB C 70.2 0.2 1 576 131 147 THR H H 7.79 0.02 1 577 131 147 THR C C 172.0 0.2 1 578 131 147 THR CA C 59.5 0.2 1 579 131 147 THR CB C 68.0 0.2 1 580 131 147 THR N N 113.9 0.2 1 581 132 148 SER H H 10.06 0.02 1 582 132 148 SER C C 174.2 0.2 1 583 132 148 SER CA C 58.0 0.2 1 584 132 148 SER CB C 64.2 0.2 1 585 132 148 SER N N 124.7 0.2 1 586 133 149 ASN H H 9.34 0.02 1 587 133 149 ASN C C 175.2 0.2 1 588 133 149 ASN CA C 51.5 0.2 1 589 133 149 ASN CB C 39.1 0.2 1 590 133 149 ASN N N 125.1 0.2 1 591 135 151 ASN C C 177.3 0.2 1 592 135 151 ASN CA C 56.3 0.2 1 593 135 151 ASN CB C 37.2 0.2 1 594 136 152 GLU H H 6.61 0.02 1 595 136 152 GLU C C 176.0 0.2 1 596 136 152 GLU CA C 55.4 0.2 1 597 136 152 GLU CB C 29.6 0.2 1 598 136 152 GLU N N 112.5 0.2 1 599 137 153 ILE H H 7.47 0.02 1 600 137 153 ILE C C 174.8 0.2 1 601 137 153 ILE CA C 63.5 0.2 1 602 137 153 ILE CB C 37.4 0.2 1 603 137 153 ILE N N 117.5 0.2 1 604 138 154 SER H H 8.43 0.02 1 605 138 154 SER C C 172.9 0.2 1 606 138 154 SER CA C 57.1 0.2 1 607 138 154 SER CB C 64.6 0.2 1 608 138 154 SER N N 127.4 0.2 1 609 139 155 VAL H H 9.18 0.02 1 610 139 155 VAL C C 173.8 0.2 1 611 139 155 VAL CA C 60.0 0.2 1 612 139 155 VAL CB C 35.9 0.2 1 613 139 155 VAL N N 120.6 0.2 1 614 140 156 THR H H 9.48 0.02 1 615 140 156 THR C C 174.6 0.2 1 616 140 156 THR CA C 61.8 0.2 1 617 140 156 THR CB C 70.8 0.2 1 618 140 156 THR N N 122.5 0.2 1 619 141 157 THR H H 8.36 0.02 1 620 141 157 THR C C 173.1 0.2 1 621 141 157 THR CA C 58.7 0.2 1 622 141 157 THR CB C 70.3 0.2 1 623 141 157 THR N N 115.7 0.2 1 624 142 158 TYR H H 8.16 0.02 1 625 142 158 TYR C C 174.4 0.2 1 626 142 158 TYR CA C 58.0 0.2 1 627 142 158 TYR CB C 37.6 0.2 1 628 142 158 TYR N N 118.8 0.2 1 629 143 159 ALA H H 7.93 0.02 1 630 143 159 ALA C C 174.7 0.2 1 631 143 159 ALA CA C 50.6 0.2 1 632 143 159 ALA CB C 22.9 0.2 1 633 143 159 ALA N N 122.6 0.2 1 634 144 160 GLU H H 8.43 0.02 1 635 144 160 GLU C C 174.3 0.2 1 636 144 160 GLU CA C 56.0 0.2 1 637 144 160 GLU CB C 30.2 0.2 1 638 144 160 GLU N N 118.9 0.2 1 639 145 161 PHE H H 8.26 0.02 1 640 145 161 PHE C C 172.2 0.2 1 641 145 161 PHE CA C 54.9 0.2 1 642 145 161 PHE CB C 44.4 0.2 1 643 145 161 PHE N N 113.3 0.2 1 644 146 162 TYR H H 9.77 0.02 1 645 146 162 TYR C C 174.9 0.2 1 646 146 162 TYR CA C 55.8 0.2 1 647 146 162 TYR CB C 43.1 0.2 1 648 146 162 TYR N N 118.4 0.2 1 649 147 163 ILE H H 9.34 0.02 1 650 147 163 ILE C C 176.6 0.2 1 651 147 163 ILE CA C 60.9 0.2 1 652 147 163 ILE CB C 40.8 0.2 1 653 147 163 ILE N N 119.8 0.2 1 654 148 164 ILE H H 9.53 0.02 1 655 148 164 ILE CA C 58.2 0.2 1 656 148 164 ILE CB C 43.9 0.2 1 657 148 164 ILE N N 128.1 0.2 1 658 149 165 PRO C C 177.7 0.2 1 659 149 165 PRO CA C 63.6 0.2 1 660 149 165 PRO CB C 32.2 0.2 1 661 150 166 ARG H H 8.09 0.02 1 662 150 166 ARG C C 177.7 0.2 1 663 150 166 ARG CA C 59.8 0.2 1 664 150 166 ARG CB C 29.1 0.2 1 665 150 166 ARG N N 121.7 0.2 1 666 151 167 SER C C 175.7 0.2 1 667 151 167 SER CA C 60.4 0.2 1 668 151 167 SER CB C 61.5 0.2 1 669 152 168 GLN H H 8.02 0.02 1 670 152 168 GLN C C 176.2 0.2 1 671 152 168 GLN CA C 54.1 0.2 1 672 152 168 GLN CB C 27.4 0.2 1 673 152 168 GLN N N 120.8 0.2 1 674 153 169 GLU H H 7.85 0.02 1 675 153 169 GLU C C 176.1 0.2 1 676 153 169 GLU CA C 60.7 0.2 1 677 153 169 GLU CB C 30.8 0.2 1 678 153 169 GLU N N 122.6 0.2 1 679 154 170 SER C C 177.6 0.2 1 680 154 170 SER CA C 62.0 0.2 1 681 155 171 LYS H H 7.23 0.02 1 682 155 171 LYS C C 176.0 0.2 1 683 155 171 LYS CA C 57.0 0.2 1 684 155 171 LYS CB C 30.6 0.2 1 685 155 171 LYS N N 122.1 0.2 1 686 156 172 CYS H H 7.24 0.02 1 687 156 172 CYS C C 175.4 0.2 1 688 156 172 CYS CA C 63.4 0.2 1 689 156 172 CYS CB C 25.4 0.2 1 690 156 172 CYS N N 118.7 0.2 1 691 157 173 THR H H 8.84 0.02 1 692 157 173 THR C C 175.7 0.2 1 693 157 173 THR CA C 65.7 0.2 1 694 157 173 THR CB C 68.5 0.2 1 695 157 173 THR N N 115.7 0.2 1 696 158 174 GLU H H 7.33 0.02 1 697 158 174 GLU C C 179.5 0.2 1 698 158 174 GLU CA C 59.6 0.2 1 699 158 174 GLU CB C 29.0 0.2 1 700 158 174 GLU N N 123.5 0.2 1 701 159 175 TYR H H 8.37 0.02 1 702 159 175 TYR C C 179.0 0.2 1 703 159 175 TYR CA C 56.8 0.2 1 704 159 175 TYR CB C 35.9 0.2 1 705 159 175 TYR N N 123.3 0.2 1 706 160 176 ILE H H 8.71 0.02 1 707 160 176 ILE C C 178.7 0.2 1 708 160 176 ILE CA C 62.5 0.2 1 709 160 176 ILE CB C 35.3 0.2 1 710 160 176 ILE N N 120.4 0.2 1 711 161 177 ASN H H 7.43 0.02 1 712 161 177 ASN C C 176.6 0.2 1 713 161 177 ASN CA C 56.3 0.2 1 714 161 177 ASN CB C 41.1 0.2 1 715 161 177 ASN N N 114.1 0.2 1 716 162 178 THR H H 8.78 0.02 1 717 162 178 THR C C 174.7 0.2 1 718 162 178 THR CA C 62.4 0.2 1 719 162 178 THR CB C 71.8 0.2 1 720 162 178 THR N N 108.6 0.2 1 721 163 179 GLY H H 9.14 0.02 1 722 163 179 GLY C C 173.1 0.2 1 723 163 179 GLY CA C 43.8 0.2 1 724 163 179 GLY N N 115.2 0.2 1 725 164 180 LEU H H 8.30 0.02 1 726 164 180 LEU C C 174.6 0.2 1 727 164 180 LEU CA C 53.2 0.2 1 728 164 180 LEU CB C 40.5 0.2 1 729 164 180 LEU N N 119.5 0.2 1 730 166 182 PRO C C 176.6 0.2 1 731 166 182 PRO CA C 62.9 0.2 1 732 166 182 PRO CB C 31.9 0.2 1 733 167 183 MET H H 8.14 0.02 1 734 167 183 MET C C 175.8 0.2 1 735 167 183 MET CA C 62.0 0.2 1 736 167 183 MET CB C 32.8 0.2 1 737 167 183 MET N N 119.8 0.2 1 738 168 184 GLN H H 8.47 0.02 1 739 168 184 GLN C C 174.3 0.2 1 740 168 184 GLN CA C 54.3 0.2 1 741 168 184 GLN CB C 29.9 0.2 1 742 168 184 GLN N N 126.4 0.2 1 743 171 187 ARG C C 175.1 0.2 1 744 171 187 ARG CA C 56.0 0.2 1 745 171 187 ARG CB C 30.8 0.2 1 746 172 188 ASN H H 8.07 0.02 1 747 172 188 ASN C C 179.5 0.2 1 748 172 188 ASN CA C 54.8 0.2 1 749 172 188 ASN CB C 40.4 0.2 1 750 172 188 ASN N N 125.6 0.2 1 stop_ save_