data_27592 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for BM13851 strain of P[8] VP8* rotavirus ; _BMRB_accession_number 27592 _BMRB_flat_file_name bmr27592.str _Entry_type original _Submission_date 2018-08-24 _Accession_date 2018-08-24 _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 Kennedy Michael . . 2 Xu Shenyuan . . 3 Jiang Xi . . 4 Liu Yang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 148 "13C chemical shifts" 453 "15N chemical shifts" 148 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-08-20 update BMRB 'update entry citation' 2020-03-30 update BMRB 'update entry citation' 2020-03-10 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27591 'BM11596 strain of P[6] VP8* rotavirus' stop_ _Original_release_date 2018-08-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Molecular basis of P[II] major human rotavirus VP8* domain recognition of histo-blood group antigens ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32208455 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Xu Shenyuan . . 2 Ahmed Luay U. . 3 Stuckert Michael R. . 4 McGinnis Kristen R. . 5 Liu Yang . . 6 Tan Ming . . 7 Huang Pengwei . . 8 Zhong Weiming . . 9 Zhao Dandan . . 10 Jiang Xi . . 11 Kennedy Michael A. . stop_ _Journal_abbreviation 'PLOS Pathogens' _Journal_volume 16 _Journal_issue 3 _Journal_ISSN 1553-7374 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e1008386 _Page_last e1008386 _Year 2020 _Details . loop_ _Keyword 'P[8] VP8*' 'backbone assignment' rotavirus stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'BM13851 strain of P[8] VP8* rotavirus' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'BM13851 strain of P[8] VP8* rotavirus' $BM13851 stop_ _System_molecular_weight 18529 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_BM13851 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common BM13851 _Molecular_mass . _Mol_thiol_state unknown loop_ _Biological_function 'Rotavirus Penetration' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 162 _Mol_residue_sequence ; GSILDGPYQPTTFTPPTDYW ILINSNTNGVVYESTNNSDF WTAVIAVEPHVNPVDRQYNV FGENKQFNVRNDSDKWKFLE MFRGSSQNDFYNRRTLTSDT RLVGILKYGGRIWTFHGETP RATTDSSNTANLNGISITIH SEFYIIPRSQESKCNEYINN GL ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 ILE 4 LEU 5 ASP 6 GLY 7 PRO 8 TYR 9 GLN 10 PRO 11 THR 12 THR 13 PHE 14 THR 15 PRO 16 PRO 17 THR 18 ASP 19 TYR 20 TRP 21 ILE 22 LEU 23 ILE 24 ASN 25 SER 26 ASN 27 THR 28 ASN 29 GLY 30 VAL 31 VAL 32 TYR 33 GLU 34 SER 35 THR 36 ASN 37 ASN 38 SER 39 ASP 40 PHE 41 TRP 42 THR 43 ALA 44 VAL 45 ILE 46 ALA 47 VAL 48 GLU 49 PRO 50 HIS 51 VAL 52 ASN 53 PRO 54 VAL 55 ASP 56 ARG 57 GLN 58 TYR 59 ASN 60 VAL 61 PHE 62 GLY 63 GLU 64 ASN 65 LYS 66 GLN 67 PHE 68 ASN 69 VAL 70 ARG 71 ASN 72 ASP 73 SER 74 ASP 75 LYS 76 TRP 77 LYS 78 PHE 79 LEU 80 GLU 81 MET 82 PHE 83 ARG 84 GLY 85 SER 86 SER 87 GLN 88 ASN 89 ASP 90 PHE 91 TYR 92 ASN 93 ARG 94 ARG 95 THR 96 LEU 97 THR 98 SER 99 ASP 100 THR 101 ARG 102 LEU 103 VAL 104 GLY 105 ILE 106 LEU 107 LYS 108 TYR 109 GLY 110 GLY 111 ARG 112 ILE 113 TRP 114 THR 115 PHE 116 HIS 117 GLY 118 GLU 119 THR 120 PRO 121 ARG 122 ALA 123 THR 124 THR 125 ASP 126 SER 127 SER 128 ASN 129 THR 130 ALA 131 ASN 132 LEU 133 ASN 134 GLY 135 ILE 136 SER 137 ILE 138 THR 139 ILE 140 HIS 141 SER 142 GLU 143 PHE 144 TYR 145 ILE 146 ILE 147 PRO 148 ARG 149 SER 150 GLN 151 GLU 152 SER 153 LYS 154 CYS 155 ASN 156 GLU 157 TYR 158 ILE 159 ASN 160 ASN 161 GLY 162 LEU 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 $BM13851 Rotavirus 10912 Viruses . Rotavirus . 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 $BM13851 'recombinant technology' . Escherichia coli . pGEX-4T-1 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 $BM13851 0.6 mM '[U-13C; U-15N]' 'sodium chloride' 137 mM 'natural abundance' 'potassium chloride' 2.7 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' 'potassium phosphate' 1.8 mM '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_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_PINE _Saveframe_category software _Name PINE _Version . loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . 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 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCACO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _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' 200 . mM pH 7.4 . pH pressure 1 . atm temperature 298 . 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 na C 13 'methyl carbon' ppm 45 na direct . . . 1.0 water H 1 protons ppm 4.710 internal direct . . . 1.0 na N 15 nitrogen ppm 118 na direct . . . 1.0 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 $NMRPipe $SPARKY $PINE stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HCACO' 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 'BM13851 strain of P[8] VP8* rotavirus' _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 2 2 SER C C 172.988 0.00 1 2 2 2 SER CA C 57.640 0.00 1 3 2 2 SER CB C 59.441 0.00 1 4 3 3 ILE H H 7.918 0.00 1 5 3 3 ILE C C 173.445 0.00 1 6 3 3 ILE N N 121.141 0.00 1 7 4 4 LEU H H 7.950 0.00 1 8 4 4 LEU C C 173.082 0.01 1 9 4 4 LEU CA C 52.226 0.02 1 10 4 4 LEU CB C 40.698 0.03 1 11 4 4 LEU N N 122.481 0.01 1 12 5 5 ASP H H 8.716 0.00 1 13 5 5 ASP C C 171.714 0.01 1 14 5 5 ASP CA C 51.395 0.06 1 15 5 5 ASP CB C 38.758 0.07 1 16 5 5 ASP N N 126.219 0.00 1 17 6 6 GLY H H 7.791 0.00 1 18 6 6 GLY C C 167.984 0.00 1 19 6 6 GLY CA C 40.971 0.04 1 20 6 6 GLY N N 110.987 0.00 1 21 7 7 PRO C C 172.748 0.00 1 22 7 7 PRO CA C 58.534 0.06 1 23 7 7 PRO CB C 31.570 0.08 1 24 8 8 TYR H H 9.091 0.00 1 25 8 8 TYR C C 171.744 0.01 1 26 8 8 TYR CA C 53.890 0.02 1 27 8 8 TYR CB C 36.320 0.08 1 28 8 8 TYR N N 123.375 0.00 1 29 9 9 GLN H H 7.928 0.00 1 30 9 9 GLN C C 170.258 0.00 1 31 9 9 GLN CA C 50.784 0.03 1 32 9 9 GLN CB C 25.001 0.00 1 33 9 9 GLN N N 117.219 0.00 1 34 10 10 PRO C C 172.794 0.01 1 35 10 10 PRO CA C 62.528 0.03 1 36 10 10 PRO CB C 29.758 0.08 1 37 11 11 THR H H 7.294 0.00 1 38 11 11 THR C C 169.555 0.02 1 39 11 11 THR CA C 57.820 0.09 1 40 11 11 THR CB C 65.174 0.15 1 41 11 11 THR N N 115.093 0.00 1 42 12 12 THR H H 8.041 0.00 1 43 12 12 THR C C 170.832 0.02 1 44 12 12 THR CA C 59.021 0.06 1 45 12 12 THR CB C 68.858 0.09 1 46 12 12 THR N N 118.988 0.01 1 47 13 13 PHE H H 9.262 0.00 1 48 13 13 PHE C C 170.351 0.01 1 49 13 13 PHE CA C 52.728 0.06 1 50 13 13 PHE CB C 36.764 0.04 1 51 13 13 PHE N N 124.188 0.00 1 52 14 14 THR H H 8.833 0.00 1 53 14 14 THR C C 169.701 0.00 1 54 14 14 THR CA C 57.072 0.02 1 55 14 14 THR CB C 66.466 0.00 1 56 14 14 THR N N 119.271 0.01 1 57 16 16 PRO C C 174.159 0.01 1 58 16 16 PRO CA C 58.995 0.02 1 59 16 16 PRO CB C 28.957 0.07 1 60 17 17 THR H H 8.396 0.00 1 61 17 17 THR C C 172.168 0.01 1 62 17 17 THR CA C 60.536 0.06 1 63 17 17 THR CB C 66.691 0.16 1 64 17 17 THR N N 114.359 0.00 1 65 18 18 ASP H H 8.985 0.00 1 66 18 18 ASP C C 171.731 0.00 1 67 18 18 ASP CA C 55.100 0.09 1 68 18 18 ASP CB C 35.831 0.17 1 69 18 18 ASP N N 113.406 0.00 1 70 19 19 TYR H H 7.333 0.00 1 71 19 19 TYR C C 172.423 0.01 1 72 19 19 TYR CA C 55.470 0.11 1 73 19 19 TYR CB C 38.583 0.09 1 74 19 19 TYR N N 116.656 0.00 1 75 20 20 TRP H H 9.597 0.00 1 76 20 20 TRP C C 172.685 0.03 1 77 20 20 TRP CA C 55.950 0.08 1 78 20 20 TRP CB C 27.739 0.00 1 79 20 20 TRP N N 124.719 0.00 1 80 21 21 ILE H H 9.351 0.00 1 81 21 21 ILE C C 172.385 0.01 1 82 21 21 ILE CA C 57.025 0.03 1 83 21 21 ILE CB C 34.446 0.18 1 84 21 21 ILE N N 124.235 0.00 1 85 22 22 LEU H H 9.233 0.00 1 86 22 22 LEU C C 172.454 0.06 1 87 22 22 LEU CA C 50.556 0.13 1 88 22 22 LEU CB C 42.321 0.21 1 89 22 22 LEU N N 128.907 0.00 1 90 23 23 ILE H H 9.579 0.00 1 91 23 23 ILE C C 171.662 0.01 1 92 23 23 ILE CA C 58.760 0.06 1 93 23 23 ILE CB C 38.027 0.10 1 94 23 23 ILE N N 126.610 0.00 1 95 24 24 ASN H H 8.605 0.00 1 96 24 24 ASN C C 171.512 0.01 1 97 24 24 ASN CA C 48.415 0.05 1 98 24 24 ASN CB C 35.581 0.07 1 99 24 24 ASN N N 124.875 0.00 1 100 25 25 SER H H 8.080 0.00 1 101 25 25 SER C C 171.488 0.03 1 102 25 25 SER CA C 56.147 0.08 1 103 25 25 SER CB C 60.307 0.07 1 104 25 25 SER N N 118.516 0.00 1 105 26 26 ASN H H 7.887 0.00 1 106 26 26 ASN C C 171.992 0.01 1 107 26 26 ASN CA C 49.640 0.05 1 108 26 26 ASN CB C 36.671 0.13 1 109 26 26 ASN N N 123.563 0.00 1 110 27 27 THR H H 7.486 0.00 1 111 27 27 THR C C 169.446 0.00 1 112 27 27 THR CA C 57.160 0.13 1 113 27 27 THR CB C 67.616 0.15 1 114 27 27 THR N N 112.484 0.00 1 115 28 28 ASN H H 8.356 0.00 1 116 28 28 ASN C C 172.572 0.01 1 117 28 28 ASN CA C 49.680 0.09 1 118 28 28 ASN CB C 35.471 0.02 1 119 28 28 ASN N N 117.187 0.00 1 120 29 29 GLY H H 8.080 0.00 1 121 29 29 GLY C C 170.539 0.01 1 122 29 29 GLY CA C 42.000 0.03 1 123 29 29 GLY N N 106.281 0.00 1 124 30 30 VAL H H 8.551 0.00 1 125 30 30 VAL C C 173.641 0.01 1 126 30 30 VAL CA C 60.974 0.08 1 127 30 30 VAL CB C 28.814 0.06 1 128 30 30 VAL N N 122.406 0.00 1 129 31 31 VAL H H 9.444 0.01 1 130 31 31 VAL C C 173.666 0.01 1 131 31 31 VAL CA C 61.943 0.11 1 132 31 31 VAL CB C 31.076 0.08 1 133 31 31 VAL N N 129.813 0.00 1 134 32 32 TYR H H 7.039 0.00 1 135 32 32 TYR C C 169.750 0.01 1 136 32 32 TYR CA C 53.405 0.08 1 137 32 32 TYR CB C 37.570 0.13 1 138 32 32 TYR N N 109.796 0.00 1 139 33 33 GLU H H 8.892 0.00 1 140 33 33 GLU C C 172.236 0.01 1 141 33 33 GLU CA C 52.420 0.13 1 142 33 33 GLU CB C 31.280 0.13 1 143 33 33 GLU N N 118.688 0.00 1 144 34 34 SER H H 10.046 0.01 1 145 34 34 SER C C 170.662 0.00 1 146 34 34 SER CA C 53.607 0.10 1 147 34 34 SER CB C 64.010 0.07 1 148 34 34 SER N N 120.594 0.00 1 149 35 35 THR H H 8.384 0.00 1 150 35 35 THR C C 169.605 0.01 1 151 35 35 THR CA C 56.900 0.15 1 152 35 35 THR CB C 67.578 0.02 1 153 35 35 THR N N 118.734 0.00 1 154 36 36 ASN H H 7.239 0.01 1 155 36 36 ASN C C 172.773 0.02 1 156 36 36 ASN CA C 49.343 0.06 1 157 36 36 ASN CB C 35.689 0.00 1 158 36 36 ASN N N 120.555 0.00 1 159 37 37 ASN H H 9.299 0.01 1 160 37 37 ASN C C 170.840 0.03 1 161 37 37 ASN CA C 52.930 0.07 1 162 37 37 ASN CB C 35.635 0.13 1 163 37 37 ASN N N 115.390 0.00 1 164 38 38 SER H H 7.806 0.00 1 165 38 38 SER C C 170.615 0.00 1 166 38 38 SER CA C 56.945 0.09 1 167 38 38 SER CB C 61.603 0.10 1 168 38 38 SER N N 112.390 0.00 1 169 39 39 ASP H H 7.987 0.00 1 170 39 39 ASP C C 172.721 0.04 1 171 39 39 ASP CA C 49.774 0.05 1 172 39 39 ASP CB C 39.651 0.04 1 173 39 39 ASP N N 121.672 0.00 1 174 40 40 PHE H H 7.184 0.00 1 175 40 40 PHE C C 170.624 0.03 1 176 40 40 PHE CA C 56.038 0.10 1 177 40 40 PHE CB C 39.477 0.05 1 178 40 40 PHE N N 119.728 0.00 1 179 41 41 TRP H H 7.375 0.00 1 180 41 41 TRP C C 171.541 0.02 1 181 41 41 TRP CA C 56.195 0.14 1 182 41 41 TRP CB C 30.989 0.05 1 183 41 41 TRP N N 132.108 0.00 1 184 42 42 THR H H 9.526 0.00 1 185 42 42 THR C C 170.506 0.01 1 186 42 42 THR CA C 59.036 0.08 1 187 42 42 THR CB C 69.995 0.13 1 188 42 42 THR N N 115.203 0.00 1 189 43 43 ALA H H 9.352 0.00 1 190 43 43 ALA C C 172.685 0.02 1 191 43 43 ALA CA C 47.229 0.11 1 192 43 43 ALA CB C 18.497 0.11 1 193 43 43 ALA N N 129.638 0.01 1 194 44 44 VAL H H 7.271 0.00 1 195 44 44 VAL C C 171.800 0.02 1 196 44 44 VAL CA C 57.590 0.12 1 197 44 44 VAL CB C 31.114 0.09 1 198 44 44 VAL N N 121.501 0.00 1 199 45 45 ILE H H 8.572 0.00 1 200 45 45 ILE C C 171.312 0.02 1 201 45 45 ILE CA C 55.651 0.10 1 202 45 45 ILE CB C 37.152 0.00 1 203 45 45 ILE N N 127.719 0.00 1 204 46 46 ALA H H 9.319 0.00 1 205 46 46 ALA C C 174.402 0.02 1 206 46 46 ALA CA C 48.210 0.03 1 207 46 46 ALA CB C 19.434 0.07 1 208 46 46 ALA N N 129.501 0.00 1 209 47 47 VAL H H 9.535 0.01 1 210 47 47 VAL C C 169.939 0.03 1 211 47 47 VAL CA C 60.103 0.06 1 212 47 47 VAL CB C 30.864 0.00 1 213 47 47 VAL N N 127.172 0.00 1 214 48 48 GLU H H 10.354 0.00 1 215 48 48 GLU C C 168.225 0.00 1 216 48 48 GLU CA C 52.009 0.09 1 217 48 48 GLU N N 132.548 0.00 1 218 49 49 PRO C C 173.814 0.01 1 219 49 49 PRO CA C 60.378 0.05 1 220 49 49 PRO CB C 29.832 0.03 1 221 50 50 HIS H H 6.941 0.00 1 222 50 50 HIS C C 171.129 0.01 1 223 50 50 HIS CA C 54.380 0.07 1 224 50 50 HIS CB C 23.539 0.04 1 225 50 50 HIS N N 114.925 0.00 1 226 51 51 VAL H H 8.614 0.00 1 227 51 51 VAL C C 174.232 0.03 1 228 51 51 VAL CA C 59.066 0.08 1 229 51 51 VAL CB C 32.645 0.13 1 230 51 51 VAL N N 122.797 0.00 1 231 52 52 ASN H H 8.451 0.00 1 232 52 52 ASN C C 169.086 0.00 1 233 52 52 ASN CA C 49.396 0.06 1 234 52 52 ASN CB C 33.827 0.00 1 235 52 52 ASN N N 129.985 0.00 1 236 53 53 PRO C C 174.031 0.02 1 237 53 53 PRO CA C 61.441 0.10 1 238 53 53 PRO CB C 28.432 0.04 1 239 54 54 VAL H H 8.834 0.00 1 240 54 54 VAL C C 169.221 0.01 1 241 54 54 VAL CA C 57.576 0.03 1 242 54 54 VAL CB C 31.122 0.09 1 243 54 54 VAL N N 124.375 0.00 1 244 55 55 ASP H H 8.062 0.00 1 245 55 55 ASP C C 173.300 0.02 1 246 55 55 ASP CA C 51.080 0.10 1 247 55 55 ASP CB C 38.539 0.24 1 248 55 55 ASP N N 125.266 0.00 1 249 56 56 ARG H H 8.939 0.00 1 250 56 56 ARG C C 170.623 0.01 1 251 56 56 ARG CA C 52.747 0.06 1 252 56 56 ARG CB C 32.148 0.11 1 253 56 56 ARG N N 125.047 0.00 1 254 57 57 GLN H H 7.832 0.00 1 255 57 57 GLN C C 172.164 0.01 1 256 57 57 GLN CA C 51.522 0.06 1 257 57 57 GLN CB C 27.705 0.03 1 258 57 57 GLN N N 119.387 0.00 1 259 58 58 TYR H H 8.792 0.01 1 260 58 58 TYR C C 170.404 0.02 1 261 58 58 TYR CA C 53.942 0.07 1 262 58 58 TYR CB C 40.006 0.03 1 263 58 58 TYR N N 121.360 0.00 1 264 59 59 ASN H H 8.702 0.00 1 265 59 59 ASN C C 171.842 0.01 1 266 59 59 ASN CA C 49.867 0.06 1 267 59 59 ASN CB C 36.806 0.06 1 268 59 59 ASN N N 123.044 0.01 1 269 60 60 VAL H H 8.685 0.00 1 270 60 60 VAL C C 172.392 0.01 1 271 60 60 VAL CA C 55.476 0.13 1 272 60 60 VAL CB C 31.364 0.08 1 273 60 60 VAL N N 117.937 0.00 1 274 61 61 PHE H H 9.383 0.00 1 275 61 61 PHE C C 173.650 0.01 1 276 61 61 PHE CA C 55.876 0.14 1 277 61 61 PHE CB C 33.346 0.11 1 278 61 61 PHE N N 122.813 0.00 1 279 62 62 GLY H H 8.717 0.00 1 280 62 62 GLY C C 171.485 0.00 1 281 62 62 GLY CA C 43.042 0.11 1 282 62 62 GLY N N 104.812 0.00 1 283 63 63 GLU H H 7.998 0.00 1 284 63 63 GLU C C 171.836 0.02 1 285 63 63 GLU CA C 51.813 0.17 1 286 63 63 GLU CB C 29.947 0.08 1 287 63 63 GLU N N 120.844 0.00 1 288 64 64 ASN H H 8.587 0.00 1 289 64 64 ASN C C 172.337 0.01 1 290 64 64 ASN CA C 50.458 0.10 1 291 64 64 ASN CB C 35.973 0.09 1 292 64 64 ASN N N 120.860 0.00 1 293 65 65 LYS H H 8.957 0.00 1 294 65 65 LYS C C 171.244 0.01 1 295 65 65 LYS CA C 50.188 0.08 1 296 65 65 LYS CB C 33.148 0.11 1 297 65 65 LYS N N 125.813 0.00 1 298 66 66 GLN H H 7.984 0.00 1 299 66 66 GLN C C 172.249 0.02 1 300 66 66 GLN CA C 51.430 0.03 1 301 66 66 GLN CB C 28.464 0.10 1 302 66 66 GLN N N 120.047 0.00 1 303 67 67 PHE H H 8.882 0.00 1 304 67 67 PHE C C 170.959 0.01 1 305 67 67 PHE CA C 52.084 0.06 1 306 67 67 PHE CB C 39.120 0.11 1 307 67 67 PHE N N 122.515 0.00 1 308 68 68 ASN H H 8.823 0.00 1 309 68 68 ASN C C 172.158 0.01 1 310 68 68 ASN CA C 51.526 0.07 1 311 68 68 ASN CB C 37.814 0.08 1 312 68 68 ASN N N 123.750 0.00 1 313 69 69 VAL H H 9.066 0.00 1 314 69 69 VAL C C 169.971 0.01 1 315 69 69 VAL CA C 56.247 0.09 1 316 69 69 VAL CB C 33.164 0.07 1 317 69 69 VAL N N 119.952 0.00 1 318 70 70 ARG H H 7.169 0.00 1 319 70 70 ARG C C 171.316 0.03 1 320 70 70 ARG CA C 51.784 0.09 1 321 70 70 ARG CB C 30.222 0.10 1 322 70 70 ARG N N 111.922 0.00 1 323 71 71 ASN H H 9.245 0.00 1 324 71 71 ASN C C 173.802 0.00 1 325 71 71 ASN CA C 50.490 0.13 1 326 71 71 ASN CB C 36.027 0.23 1 327 71 71 ASN N N 116.656 0.00 1 328 72 72 ASP H H 6.770 0.00 1 329 72 72 ASP C C 172.630 0.02 1 330 72 72 ASP CA C 50.719 0.05 1 331 72 72 ASP CB C 37.539 0.00 1 332 72 72 ASP N N 112.250 0.00 1 333 73 73 SER H H 8.043 0.00 1 334 73 73 SER C C 168.828 0.03 1 335 73 73 SER CA C 54.659 0.07 1 336 73 73 SER CB C 63.674 0.08 1 337 73 73 SER N N 117.172 0.00 1 338 74 74 ASP H H 7.933 0.00 1 339 74 74 ASP C C 173.377 0.01 1 340 74 74 ASP CA C 51.530 0.05 1 341 74 74 ASP CB C 38.846 0.13 1 342 74 74 ASP N N 115.140 0.00 1 343 75 75 LYS H H 8.513 0.00 1 344 75 75 LYS C C 172.931 0.05 1 345 75 75 LYS CA C 52.470 0.07 1 346 75 75 LYS CB C 32.652 0.00 1 347 75 75 LYS N N 121.063 0.00 1 348 76 76 TRP H H 7.738 0.01 1 349 76 76 TRP C C 172.244 0.00 1 350 76 76 TRP CA C 57.131 0.15 1 351 76 76 TRP N N 119.430 0.00 1 352 77 77 LYS H H 8.298 0.00 1 353 77 77 LYS C C 171.283 0.02 1 354 77 77 LYS CA C 52.563 0.05 1 355 77 77 LYS CB C 33.808 0.22 1 356 77 77 LYS N N 119.328 0.00 1 357 78 78 PHE H H 9.441 0.01 1 358 78 78 PHE C C 172.918 0.01 1 359 78 78 PHE CA C 53.897 0.13 1 360 78 78 PHE CB C 36.540 0.04 1 361 78 78 PHE N N 121.141 0.00 1 362 79 79 LEU H H 9.538 0.00 1 363 79 79 LEU C C 173.075 0.01 1 364 79 79 LEU CA C 52.158 0.10 1 365 79 79 LEU CB C 39.939 0.00 1 366 79 79 LEU N N 127.766 0.00 1 367 80 80 GLU H H 8.723 0.01 1 368 80 80 GLU C C 172.923 0.01 1 369 80 80 GLU CA C 54.055 0.05 1 370 80 80 GLU CB C 27.576 0.07 1 371 80 80 GLU N N 123.157 0.00 1 372 81 81 MET H H 9.053 0.00 1 373 81 81 MET C C 171.793 0.01 1 374 81 81 MET CA C 49.575 0.06 1 375 81 81 MET CB C 26.827 0.04 1 376 81 81 MET N N 126.750 0.00 1 377 82 82 PHE H H 9.203 0.00 1 378 82 82 PHE C C 171.980 0.05 1 379 82 82 PHE CA C 53.400 0.06 1 380 82 82 PHE CB C 42.365 0.00 1 381 82 82 PHE N N 125.063 0.00 1 382 83 83 ARG H H 7.339 0.00 1 383 83 83 ARG C C 170.430 0.01 1 384 83 83 ARG CA C 52.680 0.12 1 385 83 83 ARG CB C 30.501 0.12 1 386 83 83 ARG N N 119.938 0.00 1 387 84 84 GLY H H 8.652 0.00 1 388 84 84 GLY C C 170.430 0.01 1 389 84 84 GLY CA C 40.979 0.13 1 390 84 84 GLY N N 105.796 0.00 1 391 85 85 SER H H 6.858 0.01 1 392 85 85 SER C C 171.421 0.03 1 393 85 85 SER CA C 53.803 0.09 1 394 85 85 SER CB C 62.459 0.06 1 395 85 85 SER N N 111.078 0.00 1 396 86 86 SER H H 8.481 0.00 1 397 86 86 SER C C 171.418 0.00 1 398 86 86 SER CA C 57.603 0.06 1 399 86 86 SER CB C 59.491 0.08 1 400 86 86 SER N N 118.641 0.00 1 401 87 87 GLN H H 7.613 0.00 1 402 87 87 GLN C C 172.855 0.01 1 403 87 87 GLN CA C 52.530 0.04 1 404 87 87 GLN CB C 26.282 0.07 1 405 87 87 GLN N N 116.658 0.00 1 406 88 88 ASN H H 6.721 0.00 1 407 88 88 ASN C C 171.555 0.02 1 408 88 88 ASN CA C 49.071 0.05 1 409 88 88 ASN CB C 37.518 0.11 1 410 88 88 ASN N N 118.798 0.00 1 411 89 89 ASP H H 8.402 0.00 1 412 89 89 ASP C C 173.798 0.01 1 413 89 89 ASP CA C 51.259 0.08 1 414 89 89 ASP CB C 38.696 0.07 1 415 89 89 ASP N N 119.422 0.00 1 416 90 90 PHE H H 8.603 0.00 1 417 90 90 PHE C C 174.171 0.04 1 418 90 90 PHE CA C 56.460 0.06 1 419 90 90 PHE CB C 39.046 0.09 1 420 90 90 PHE N N 117.687 0.00 1 421 91 91 TYR H H 9.069 0.00 1 422 91 91 TYR C C 171.295 0.00 1 423 91 91 TYR CA C 52.759 0.08 1 424 91 91 TYR CB C 39.002 0.00 1 425 91 91 TYR N N 117.469 0.00 1 426 92 92 ASN C C 170.351 0.00 1 427 92 92 ASN CA C 49.494 0.10 1 428 92 92 ASN CB C 35.464 0.00 1 429 93 93 ARG H H 8.381 0.00 1 430 93 93 ARG C C 172.748 0.01 1 431 93 93 ARG CA C 55.795 0.04 1 432 93 93 ARG CB C 30.730 0.06 1 433 93 93 ARG N N 132.220 0.00 1 434 94 94 ARG H H 7.324 0.00 1 435 94 94 ARG C C 172.273 0.01 1 436 94 94 ARG CA C 52.430 0.06 1 437 94 94 ARG CB C 33.020 0.16 1 438 94 94 ARG N N 112.453 0.00 1 439 95 95 THR H H 9.142 0.00 1 440 95 95 THR C C 169.695 0.01 1 441 95 95 THR CA C 59.880 0.08 1 442 95 95 THR CB C 69.842 0.14 1 443 95 95 THR N N 117.455 0.01 1 444 96 96 LEU H H 8.945 0.01 1 445 96 96 LEU C C 171.810 0.03 1 446 96 96 LEU CA C 50.868 0.05 1 447 96 96 LEU CB C 36.639 0.00 1 448 96 96 LEU N N 130.532 0.00 1 449 97 97 THR H H 9.535 0.00 1 450 97 97 THR C C 171.647 0.02 1 451 97 97 THR CA C 59.801 0.12 1 452 97 97 THR CB C 66.291 0.21 1 453 97 97 THR N N 128.110 0.00 1 454 98 98 SER H H 9.675 0.00 1 455 98 98 SER C C 172.127 0.00 1 456 98 98 SER CA C 53.375 0.09 1 457 98 98 SER CB C 63.449 0.04 1 458 98 98 SER N N 119.813 0.00 1 459 99 99 ASP H H 8.569 0.01 1 460 99 99 ASP C C 173.620 0.02 1 461 99 99 ASP CA C 50.840 0.04 1 462 99 99 ASP CB C 39.108 0.19 1 463 99 99 ASP N N 124.713 0.01 1 464 100 100 THR H H 8.571 0.00 1 465 100 100 THR C C 172.189 0.02 1 466 100 100 THR CA C 59.209 0.19 1 467 100 100 THR CB C 67.322 0.02 1 468 100 100 THR N N 112.593 0.00 1 469 101 101 ARG H H 7.950 0.00 1 470 101 101 ARG C C 168.680 0.01 1 471 101 101 ARG CA C 55.992 0.08 1 472 101 101 ARG N N 111.250 0.00 1 473 102 102 LEU H H 6.662 0.00 1 474 102 102 LEU C C 172.847 0.02 1 475 102 102 LEU CA C 50.155 0.05 1 476 102 102 LEU CB C 42.071 0.16 1 477 102 102 LEU N N 115.853 0.00 1 478 103 103 VAL H H 8.116 0.00 1 479 103 103 VAL C C 171.992 0.00 1 480 103 103 VAL CA C 57.230 0.10 1 481 103 103 VAL CB C 32.173 0.04 1 482 103 103 VAL N N 116.403 0.00 1 483 104 104 GLY H H 7.937 0.00 1 484 104 104 GLY C C 170.261 0.03 1 485 104 104 GLY CA C 42.384 0.05 1 486 104 104 GLY N N 109.016 0.00 1 487 105 105 ILE H H 9.073 0.01 1 488 105 105 ILE C C 169.435 0.01 1 489 105 105 ILE CA C 58.320 0.06 1 490 105 105 ILE N N 121.766 0.00 1 491 106 106 LEU H H 8.528 0.00 1 492 106 106 LEU C C 172.200 0.00 1 493 106 106 LEU CA C 50.778 0.05 1 494 106 106 LEU N N 129.376 0.00 1 495 107 107 LYS H H 8.647 0.01 1 496 107 107 LYS C C 171.783 0.01 1 497 107 107 LYS CA C 52.190 0.12 1 498 107 107 LYS CB C 31.133 0.03 1 499 107 107 LYS N N 125.516 0.00 1 500 108 108 TYR H H 9.065 0.00 1 501 108 108 TYR C C 173.509 0.00 1 502 108 108 TYR CA C 55.859 0.04 1 503 108 108 TYR CB C 38.752 0.00 1 504 108 108 TYR N N 123.125 0.00 1 505 110 110 GLY C C 170.129 0.00 1 506 110 110 GLY CA C 42.786 0.02 1 507 111 111 ARG H H 7.543 0.00 1 508 111 111 ARG C C 170.473 0.02 1 509 111 111 ARG CA C 51.551 0.08 1 510 111 111 ARG CB C 32.789 0.12 1 511 111 111 ARG N N 118.531 0.00 1 512 112 112 ILE H H 7.733 0.00 1 513 112 112 ILE C C 173.011 0.01 1 514 112 112 ILE CA C 54.210 0.05 1 515 112 112 ILE CB C 35.402 0.05 1 516 112 112 ILE N N 118.851 0.00 1 517 113 113 TRP H H 9.778 0.01 1 518 113 113 TRP C C 171.998 0.01 1 519 113 113 TRP CA C 52.155 0.10 1 520 113 113 TRP CB C 27.483 0.06 1 521 113 113 TRP N N 129.954 0.00 1 522 114 114 THR H H 8.385 0.00 1 523 114 114 THR C C 170.829 0.00 1 524 114 114 THR CA C 56.330 0.10 1 525 114 114 THR CB C 70.058 0.09 1 526 114 114 THR N N 111.114 0.00 1 527 115 115 PHE H H 8.463 0.00 1 528 115 115 PHE C C 173.492 0.01 1 529 115 115 PHE CA C 54.800 0.07 1 530 115 115 PHE CB C 39.645 0.14 1 531 115 115 PHE N N 116.219 0.00 1 532 116 116 HIS H H 9.866 0.00 1 533 116 116 HIS C C 169.900 0.00 1 534 116 116 HIS CA C 52.238 0.12 1 535 116 116 HIS CB C 32.221 0.08 1 536 116 116 HIS N N 118.734 0.00 1 537 117 117 GLY H H 8.483 0.01 1 538 117 117 GLY C C 170.240 0.00 1 539 117 117 GLY CA C 41.083 0.09 1 540 117 117 GLY N N 106.265 0.00 1 541 118 118 GLU H H 8.646 0.00 1 542 118 118 GLU C C 174.384 0.02 1 543 118 118 GLU CA C 50.993 0.10 1 544 118 118 GLU CB C 28.822 0.09 1 545 118 118 GLU N N 123.610 0.00 1 546 119 119 THR H H 8.845 0.00 1 547 119 119 THR C C 169.783 0.00 1 548 119 119 THR CA C 58.909 0.01 1 549 119 119 THR CB C 65.516 0.00 1 550 119 119 THR N N 119.501 0.00 1 551 120 120 PRO C C 172.091 0.01 1 552 120 120 PRO CA C 61.253 0.04 1 553 120 120 PRO CB C 28.614 0.00 1 554 121 121 ARG H H 8.897 0.00 1 555 121 121 ARG C C 173.486 0.01 1 556 121 121 ARG CA C 51.800 0.13 1 557 121 121 ARG CB C 27.058 0.02 1 558 121 121 ARG N N 124.110 0.00 1 559 122 122 ALA H H 9.312 0.00 1 560 122 122 ALA C C 175.653 0.01 1 561 122 122 ALA CA C 50.815 0.06 1 562 122 122 ALA CB C 16.380 0.02 1 563 122 122 ALA N N 127.344 0.00 1 564 123 123 THR H H 8.628 0.00 1 565 123 123 THR C C 170.982 0.03 1 566 123 123 THR CA C 57.090 0.12 1 567 123 123 THR CB C 69.323 0.06 1 568 123 123 THR N N 112.781 0.00 1 569 124 124 THR H H 8.082 0.00 1 570 124 124 THR C C 172.699 0.01 1 571 124 124 THR CA C 57.576 0.07 1 572 124 124 THR CB C 69.525 0.07 1 573 124 124 THR N N 109.875 0.00 1 574 125 125 ASP H H 9.031 0.00 1 575 125 125 ASP C C 171.625 0.02 1 576 125 125 ASP CA C 50.263 0.07 1 577 125 125 ASP CB C 42.348 0.17 1 578 125 125 ASP N N 118.625 0.00 1 579 126 126 SER H H 7.563 0.00 1 580 126 126 SER C C 170.793 0.03 1 581 126 126 SER CA C 53.363 0.09 1 582 126 126 SER CB C 63.007 0.07 1 583 126 126 SER N N 114.937 0.00 1 584 127 127 SER H H 8.667 0.00 1 585 127 127 SER C C 169.560 0.00 1 586 127 127 SER CA C 54.722 0.11 1 587 127 127 SER N N 114.922 0.00 1 588 128 128 ASN H H 8.667 0.00 1 589 128 128 ASN C C 171.687 0.01 1 590 128 128 ASN CA C 50.103 0.07 1 591 128 128 ASN CB C 37.046 0.01 1 592 128 128 ASN N N 114.922 0.00 1 593 129 129 THR H H 7.953 0.00 1 594 129 129 THR C C 168.450 0.01 1 595 129 129 THR CA C 57.635 0.12 1 596 129 129 THR CB C 65.628 0.06 1 597 129 129 THR N N 113.390 0.00 1 598 130 130 ALA H H 10.096 0.01 1 599 130 130 ALA C C 174.892 0.00 1 600 130 130 ALA CA C 49.177 0.11 1 601 130 130 ALA CB C 16.197 0.07 1 602 130 130 ALA N N 131.634 0.00 1 603 131 131 ASN H H 8.676 0.00 1 604 131 131 ASN C C 171.769 0.01 1 605 131 131 ASN CA C 48.696 0.01 1 606 131 131 ASN CB C 35.046 0.08 1 607 131 131 ASN N N 118.622 0.00 1 608 132 132 LEU H H 8.598 0.01 1 609 132 132 LEU CA C 54.365 0.00 1 610 132 132 LEU N N 126.344 0.00 1 611 133 133 ASN C C 173.873 0.02 1 612 133 133 ASN CA C 52.736 0.03 1 613 133 133 ASN CB C 34.314 0.00 1 614 134 134 GLY H H 7.160 0.01 1 615 134 134 GLY C C 171.207 0.02 1 616 134 134 GLY CA C 42.495 0.03 1 617 134 134 GLY N N 102.984 0.00 1 618 135 135 ILE H H 6.951 0.00 1 619 135 135 ILE C C 172.074 0.02 1 620 135 135 ILE CA C 59.981 0.07 1 621 135 135 ILE CB C 34.545 0.18 1 622 135 135 ILE N N 119.124 0.00 1 623 136 136 SER H H 8.315 0.01 1 624 136 136 SER C C 169.648 0.01 1 625 136 136 SER CA C 53.905 0.07 1 626 136 136 SER CB C 62.772 0.03 1 627 136 136 SER N N 125.360 0.00 1 628 137 137 ILE H H 9.011 0.00 1 629 137 137 ILE C C 169.531 0.04 1 630 137 137 ILE CA C 57.765 0.10 1 631 137 137 ILE CB C 40.564 0.16 1 632 137 137 ILE N N 121.906 0.00 1 633 138 138 THR H H 9.001 0.01 1 634 138 138 THR C C 170.697 0.00 1 635 138 138 THR CA C 59.606 0.07 1 636 138 138 THR CB C 68.083 0.07 1 637 138 138 THR N N 124.282 0.00 1 638 139 139 ILE H H 8.657 0.00 1 639 139 139 ILE C C 173.494 0.01 1 640 139 139 ILE CA C 58.976 0.03 1 641 139 139 ILE CB C 37.802 0.10 1 642 139 139 ILE N N 127.125 0.00 1 643 140 140 HIS H H 8.083 0.00 1 644 140 140 HIS C C 172.010 0.02 1 645 140 140 HIS CA C 54.888 0.08 1 646 140 140 HIS CB C 28.901 0.04 1 647 140 140 HIS N N 123.105 0.00 1 648 141 141 SER H H 7.361 0.00 1 649 141 141 SER C C 167.873 0.01 1 650 141 141 SER CA C 55.263 0.14 1 651 141 141 SER CB C 65.057 0.04 1 652 141 141 SER N N 116.219 0.00 1 653 142 142 GLU H H 8.206 0.00 1 654 142 142 GLU C C 172.535 0.01 1 655 142 142 GLU CA C 54.055 0.05 1 656 142 142 GLU CB C 27.782 0.12 1 657 142 142 GLU N N 117.828 0.00 1 658 143 143 PHE H H 7.935 0.00 1 659 143 143 PHE C C 169.148 0.03 1 660 143 143 PHE CA C 52.175 0.04 1 661 143 143 PHE CB C 40.796 0.04 1 662 143 143 PHE N N 113.047 0.00 1 663 144 144 TYR H H 9.703 0.01 1 664 144 144 TYR C C 172.232 0.00 1 665 144 144 TYR CA C 53.385 0.08 1 666 144 144 TYR CB C 40.283 0.04 1 667 144 144 TYR N N 118.375 0.00 1 668 145 145 ILE H H 8.941 0.00 1 669 145 145 ILE C C 173.462 0.01 1 670 145 145 ILE CA C 57.465 0.11 1 671 145 145 ILE CB C 37.958 0.09 1 672 145 145 ILE N N 119.281 0.00 1 673 146 146 ILE H H 9.408 0.00 1 674 146 146 ILE C C 170.181 0.00 1 675 146 146 ILE CA C 55.522 0.01 1 676 146 146 ILE CB C 40.827 0.00 1 677 146 146 ILE N N 126.907 0.00 1 678 147 147 PRO C C 172.794 0.00 1 679 148 148 ARG H H 9.300 0.00 1 680 148 148 ARG C C 170.867 0.00 1 681 148 148 ARG CA C 53.028 0.00 1 682 148 148 ARG CB C 35.489 0.00 1 683 148 148 ARG N N 115.390 0.00 1 684 149 149 SER H H 7.807 0.00 1 685 149 149 SER C C 172.988 0.00 1 686 149 149 SER CA C 57.621 0.02 1 687 149 149 SER CB C 59.441 0.00 1 688 149 149 SER N N 112.390 0.00 1 689 150 150 GLN H H 7.917 0.00 1 690 150 150 GLN C C 173.461 0.02 1 691 150 150 GLN CA C 51.690 0.04 1 692 150 150 GLN CB C 24.545 0.09 1 693 150 150 GLN N N 121.141 0.00 1 694 151 151 GLU H H 7.675 0.00 1 695 151 151 GLU C C 174.324 0.00 1 696 151 151 GLU CA C 57.909 0.04 1 697 151 151 GLU CB C 27.151 0.00 1 698 151 151 GLU N N 121.922 0.00 1 699 152 152 SER H H 8.826 0.00 1 700 152 152 SER C C 174.382 0.00 1 701 152 152 SER CA C 58.984 0.01 1 702 152 152 SER N N 119.406 0.00 1 703 153 153 LYS H H 7.275 0.00 1 704 153 153 LYS C C 174.118 0.01 1 705 153 153 LYS CA C 54.515 0.05 1 706 153 153 LYS CB C 28.120 0.17 1 707 153 153 LYS N N 122.676 0.00 1 708 154 154 CYS H H 7.416 0.00 1 709 154 154 CYS C C 172.339 0.01 1 710 154 154 CYS CA C 59.651 0.11 1 711 154 154 CYS CB C 22.630 0.07 1 712 154 154 CYS N N 117.681 0.00 1 713 155 155 ASN H H 8.308 0.00 1 714 155 155 ASN C C 173.951 0.02 1 715 155 155 ASN CA C 54.070 0.05 1 716 155 155 ASN CB C 36.058 0.09 1 717 155 155 ASN N N 115.828 0.00 1 718 156 156 GLU H H 7.255 0.00 1 719 156 156 GLU C C 176.367 0.02 1 720 156 156 GLU CA C 56.920 0.05 1 721 156 156 GLU CB C 26.220 0.01 1 722 156 156 GLU N N 119.220 0.00 1 723 157 157 TYR H H 8.055 0.00 1 724 157 157 TYR C C 175.782 0.02 1 725 157 157 TYR CA C 55.910 0.03 1 726 157 157 TYR CB C 34.233 0.12 1 727 157 157 TYR N N 119.859 0.00 1 728 158 158 ILE H H 8.126 0.00 1 729 158 158 ILE C C 175.788 0.01 1 730 158 158 ILE CA C 59.786 0.06 1 731 158 158 ILE N N 118.261 0.00 1 732 159 159 ASN H H 7.464 0.00 1 733 159 159 ASN C C 172.809 0.01 1 734 159 159 ASN CA C 53.680 0.13 1 735 159 159 ASN CB C 38.058 0.04 1 736 159 159 ASN N N 113.859 0.00 1 737 160 160 ASN H H 8.619 0.00 1 738 160 160 ASN C C 172.915 0.02 1 739 160 160 ASN CA C 51.070 0.18 1 740 160 160 ASN CB C 38.620 0.06 1 741 160 160 ASN N N 115.500 0.00 1 742 161 161 GLY H H 8.657 0.01 1 743 161 161 GLY C C 169.279 0.03 1 744 161 161 GLY CA C 41.396 0.08 1 745 161 161 GLY N N 112.992 0.07 1 746 162 162 LEU H H 7.631 0.00 1 747 162 162 LEU C C 168.289 0.00 1 748 162 162 LEU CA C 54.072 0.01 1 749 162 162 LEU N N 123.172 0.00 1 stop_ save_