data_27591 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for BM11596 strain of P[6] VP8* rotavirus ; _BMRB_accession_number 27591 _BMRB_flat_file_name bmr27591.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 Jiang Xi . . 2 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" 145 "13C chemical shifts" 460 "15N chemical shifts" 144 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 27592 'BM13851 strain of P[8] 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 'Backbone assignment' 'P[6] VP8*' Rotavirus stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'BM11596 strain of P[6] VP8* rotavirus' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'BM11596 strain of P[6] VP8* rotavirus' $BM11596 stop_ _System_molecular_weight 18669 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_BM11596 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common BM11596 _Molecular_mass . _Mol_thiol_state unknown loop_ _Biological_function 'rotavirus penetration' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 162 _Mol_residue_sequence ; GSVLDGPYQPTNFKPPNDYW ILLNPTNQQVVLEGTNKTDI WVALLLVEPNVTNQSRQYTL FGETKQITVENNTNKWKFFE MFRSNVSAEFQHKRTLTSDT KLAGFMKFYNSVWTFHGETP HATTDYSSTSNLSEVETVIH VEFYIIPRSQESKCSEYINT GL ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 VAL 4 LEU 5 ASP 6 GLY 7 PRO 8 TYR 9 GLN 10 PRO 11 THR 12 ASN 13 PHE 14 LYS 15 PRO 16 PRO 17 ASN 18 ASP 19 TYR 20 TRP 21 ILE 22 LEU 23 LEU 24 ASN 25 PRO 26 THR 27 ASN 28 GLN 29 GLN 30 VAL 31 VAL 32 LEU 33 GLU 34 GLY 35 THR 36 ASN 37 LYS 38 THR 39 ASP 40 ILE 41 TRP 42 VAL 43 ALA 44 LEU 45 LEU 46 LEU 47 VAL 48 GLU 49 PRO 50 ASN 51 VAL 52 THR 53 ASN 54 GLN 55 SER 56 ARG 57 GLN 58 TYR 59 THR 60 LEU 61 PHE 62 GLY 63 GLU 64 THR 65 LYS 66 GLN 67 ILE 68 THR 69 VAL 70 GLU 71 ASN 72 ASN 73 THR 74 ASN 75 LYS 76 TRP 77 LYS 78 PHE 79 PHE 80 GLU 81 MET 82 PHE 83 ARG 84 SER 85 ASN 86 VAL 87 SER 88 ALA 89 GLU 90 PHE 91 GLN 92 HIS 93 LYS 94 ARG 95 THR 96 LEU 97 THR 98 SER 99 ASP 100 THR 101 LYS 102 LEU 103 ALA 104 GLY 105 PHE 106 MET 107 LYS 108 PHE 109 TYR 110 ASN 111 SER 112 VAL 113 TRP 114 THR 115 PHE 116 HIS 117 GLY 118 GLU 119 THR 120 PRO 121 HIS 122 ALA 123 THR 124 THR 125 ASP 126 TYR 127 SER 128 SER 129 THR 130 SER 131 ASN 132 LEU 133 SER 134 GLU 135 VAL 136 GLU 137 THR 138 VAL 139 ILE 140 HIS 141 VAL 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 SER 156 GLU 157 TYR 158 ILE 159 ASN 160 THR 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 $BM11596 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 $BM11596 '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 $BM11596 600 uM '[U-100% 13C; U-100% 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details . save_ save_spectrometer_2 _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 water C 13 'methyl carbon' ppm 54 internal direct . . . 1.0 water H 1 protons ppm 4.708 internal direct . . . 1.0 water N 15 nitrogen ppm 118 internal 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 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 'BM11596 strain of P[6] 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 1 1 GLY C C 170.455 0.00 1 2 1 1 GLY CA C 42.801 0.05 1 3 2 2 SER H H 7.623 0.01 1 4 2 2 SER CA C 57.836 0.00 1 5 2 2 SER N N 127.119 0.00 1 6 3 3 VAL H H 7.954 0.00 1 7 3 3 VAL C C 172.200 0.01 1 8 3 3 VAL CA C 60.334 0.07 1 9 3 3 VAL CB C 29.706 0.03 1 10 3 3 VAL N N 120.822 0.00 1 11 4 4 LEU H H 7.835 0.01 1 12 4 4 LEU C C 172.978 0.01 1 13 4 4 LEU CA C 51.974 0.04 1 14 4 4 LEU CB C 40.924 0.11 1 15 4 4 LEU N N 121.837 0.00 1 16 5 5 ASP H H 8.533 0.01 1 17 5 5 ASP C C 172.007 0.01 1 18 5 5 ASP CA C 51.133 0.04 1 19 5 5 ASP CB C 39.118 0.05 1 20 5 5 ASP N N 125.395 0.00 1 21 6 6 GLY H H 7.874 0.01 1 22 6 6 GLY C C 167.935 0.00 1 23 6 6 GLY CA C 41.194 0.01 1 24 6 6 GLY N N 111.901 0.00 1 25 7 7 PRO C C 172.699 0.02 1 26 7 7 PRO CA C 58.865 0.02 1 27 7 7 PRO CB C 31.645 0.05 1 28 8 8 TYR H H 9.045 0.01 1 29 8 8 TYR C C 171.646 0.01 1 30 8 8 TYR CA C 54.046 0.02 1 31 8 8 TYR CB C 36.674 0.05 1 32 8 8 TYR N N 122.820 0.00 1 33 9 9 GLN H H 7.843 0.01 1 34 9 9 GLN C C 169.986 0.00 1 35 9 9 GLN CA C 50.730 0.01 1 36 9 9 GLN CB C 25.323 0.00 1 37 9 9 GLN N N 117.094 0.00 1 38 10 10 PRO CB C 30.848 0.00 1 39 11 11 THR H H 9.658 0.00 1 40 11 11 THR C C 173.033 0.00 1 41 11 11 THR CA C 57.898 0.05 1 42 11 11 THR CB C 59.350 0.03 1 43 12 12 ASN H H 7.945 0.01 1 44 12 12 ASN C C 171.498 0.01 1 45 12 12 ASN CA C 49.013 0.10 1 46 12 12 ASN CB C 37.383 0.05 1 47 12 12 ASN N N 120.826 0.00 1 48 13 13 PHE H H 8.828 0.01 1 49 13 13 PHE CA C 52.656 0.13 1 50 13 13 PHE CB C 37.383 0.00 1 51 13 13 PHE N N 123.508 0.00 1 52 16 16 PRO C C 173.390 0.01 1 53 16 16 PRO CA C 59.164 0.06 1 54 16 16 PRO CB C 28.883 0.05 1 55 17 17 ASN H H 8.500 0.01 1 56 17 17 ASN C C 173.847 0.01 1 57 17 17 ASN CA C 50.766 0.05 1 58 17 17 ASN CB C 34.647 0.03 1 59 17 17 ASN N N 120.238 0.01 1 60 18 18 ASP H H 9.285 0.01 1 61 18 18 ASP C C 171.913 0.01 1 62 18 18 ASP CA C 54.022 0.16 1 63 18 18 ASP CB C 34.727 0.04 1 64 18 18 ASP N N 111.351 0.00 1 65 19 19 TYR H H 7.336 0.01 1 66 19 19 TYR C C 172.031 0.01 1 67 19 19 TYR CA C 55.153 0.07 1 68 19 19 TYR CB C 39.030 0.07 1 69 19 19 TYR N N 115.547 0.00 1 70 20 20 TRP H H 9.778 0.01 1 71 20 20 TRP C C 172.763 0.02 1 72 20 20 TRP CA C 55.436 0.05 1 73 20 20 TRP CB C 28.582 0.07 1 74 20 20 TRP N N 123.009 0.00 1 75 21 21 ILE H H 9.734 0.01 1 76 21 21 ILE C C 172.681 0.01 1 77 21 21 ILE CA C 56.946 0.09 1 78 21 21 ILE CB C 35.010 0.14 1 79 21 21 ILE N N 123.698 0.00 1 80 22 22 LEU H H 9.551 0.01 1 81 22 22 LEU C C 172.564 0.00 1 82 22 22 LEU CA C 51.266 0.06 1 83 22 22 LEU CB C 41.686 0.05 1 84 22 22 LEU N N 130.523 0.00 1 85 23 23 LEU H H 9.200 0.01 1 86 23 23 LEU C C 171.828 0.02 1 87 23 23 LEU CA C 52.306 0.06 1 88 23 23 LEU CB C 40.871 0.25 1 89 23 23 LEU N N 127.499 0.00 1 90 24 24 ASN H H 8.477 0.01 1 91 24 24 ASN C C 168.767 0.00 1 92 24 24 ASN CA C 47.862 0.09 1 93 24 24 ASN CB C 37.967 0.00 1 94 24 24 ASN N N 119.138 0.00 1 95 25 25 PRO C C 173.408 0.00 1 96 25 25 PRO CA C 59.901 0.03 1 97 25 25 PRO CB C 31.407 0.08 1 98 26 26 THR H H 9.498 0.01 1 99 26 26 THR C C 173.396 0.00 1 100 26 26 THR CA C 58.434 0.01 1 101 26 26 THR CB C 65.433 0.00 1 102 26 26 THR N N 111.872 0.00 1 103 27 27 ASN C C 171.310 0.00 1 104 27 27 ASN CA C 61.050 0.13 1 105 27 27 ASN CB C 36.029 0.03 1 106 28 28 GLN H H 8.877 0.01 1 107 28 28 GLN C C 172.228 0.01 1 108 28 28 GLN CA C 56.353 0.02 1 109 28 28 GLN CB C 24.066 0.15 1 110 28 28 GLN N N 122.523 0.01 1 111 29 29 GLN H H 8.240 0.01 1 112 29 29 GLN C C 173.707 0.03 1 113 29 29 GLN CA C 55.565 0.01 1 114 29 29 GLN CB C 27.395 0.05 1 115 29 29 GLN N N 116.786 0.00 1 116 30 30 VAL H H 7.227 0.01 1 117 30 30 VAL C C 172.572 0.01 1 118 30 30 VAL CA C 58.992 0.06 1 119 30 30 VAL CB C 30.051 0.04 1 120 30 30 VAL N N 115.568 0.00 1 121 31 31 VAL H H 8.814 0.01 1 122 31 31 VAL C C 172.212 0.03 1 123 31 31 VAL CA C 61.395 0.06 1 124 31 31 VAL CB C 30.836 0.20 1 125 31 31 VAL N N 123.507 0.00 1 126 32 32 LEU H H 7.095 0.01 1 127 32 32 LEU C C 171.533 0.03 1 128 32 32 LEU CA C 51.740 0.05 1 129 32 32 LEU CB C 43.687 0.14 1 130 32 32 LEU N N 119.000 0.01 1 131 33 33 GLU H H 8.866 0.01 1 132 33 33 GLU C C 172.525 0.01 1 133 33 33 GLU CA C 53.006 0.10 1 134 33 33 GLU CB C 30.973 0.02 1 135 33 33 GLU N N 125.237 0.00 1 136 34 34 GLY H H 10.305 0.01 1 137 34 34 GLY C C 168.408 0.02 1 138 34 34 GLY CA C 41.854 0.07 1 139 34 34 GLY N N 113.317 0.00 1 140 35 35 THR H H 8.756 0.01 1 141 35 35 THR C C 169.658 0.02 1 142 35 35 THR CA C 57.216 0.04 1 143 35 35 THR CB C 67.274 0.14 1 144 35 35 THR N N 116.614 0.00 1 145 36 36 ASN H H 7.083 0.01 1 146 36 36 ASN C C 171.873 0.01 1 147 36 36 ASN CA C 49.353 0.02 1 148 36 36 ASN CB C 36.356 0.05 1 149 36 36 ASN N N 122.888 0.00 1 150 37 37 LYS H H 8.954 0.01 1 151 37 37 LYS C C 172.329 0.02 1 152 37 37 LYS CA C 56.286 0.04 1 153 37 37 LYS CB C 27.679 0.02 1 154 37 37 LYS N N 113.376 0.00 1 155 38 38 THR H H 7.712 0.01 1 156 38 38 THR C C 171.157 0.02 1 157 38 38 THR CA C 60.151 0.08 1 158 38 38 THR CB C 67.221 0.20 1 159 38 38 THR N N 110.763 0.00 1 160 39 39 ASP H H 8.179 0.01 1 161 39 39 ASP C C 172.236 0.00 1 162 39 39 ASP CA C 50.283 0.13 1 163 39 39 ASP CB C 39.207 0.02 1 164 39 39 ASP N N 121.412 0.00 1 165 40 40 ILE H H 7.166 0.01 1 166 40 40 ILE C C 170.413 0.02 1 167 40 40 ILE CA C 58.026 0.06 1 168 40 40 ILE CB C 37.861 0.04 1 169 40 40 ILE N N 116.223 0.00 1 170 41 41 TRP H H 8.045 0.01 1 171 41 41 TRP C C 170.482 0.02 1 172 41 41 TRP CA C 56.335 0.03 1 173 41 41 TRP CB C 31.238 0.05 1 174 41 41 TRP N N 130.854 0.00 1 175 42 42 VAL H H 9.732 0.01 1 176 42 42 VAL C C 170.771 0.02 1 177 42 42 VAL CA C 56.525 0.09 1 178 42 42 VAL CB C 33.203 0.18 1 179 42 42 VAL N N 119.695 0.00 1 180 43 43 ALA H H 9.419 0.01 1 181 43 43 ALA C C 172.677 0.02 1 182 43 43 ALA CA C 47.154 0.01 1 183 43 43 ALA CB C 20.683 0.02 1 184 43 43 ALA N N 128.956 0.00 1 185 44 44 LEU H H 8.302 0.01 1 186 44 44 LEU C C 172.259 0.00 1 187 44 44 LEU CA C 50.456 0.02 1 188 44 44 LEU CB C 41.898 0.15 1 189 44 44 LEU N N 119.675 0.00 1 190 45 45 LEU H H 9.196 0.01 1 191 45 45 LEU C C 172.986 0.00 1 192 45 45 LEU CA C 49.986 0.10 1 193 45 45 LEU CB C 39.986 0.16 1 194 45 45 LEU N N 125.248 0.00 1 195 46 46 LEU H H 8.627 0.01 1 196 46 46 LEU C C 172.699 0.03 1 197 46 46 LEU CA C 51.737 0.14 1 198 46 46 LEU CB C 41.314 0.05 1 199 46 46 LEU N N 124.502 0.00 1 200 47 47 VAL H H 9.657 0.01 1 201 47 47 VAL C C 170.466 0.00 1 202 47 47 VAL CA C 60.332 0.05 1 203 47 47 VAL CB C 30.848 0.00 1 204 47 47 VAL N N 132.511 0.00 1 205 48 48 GLU H H 10.161 0.01 1 206 48 48 GLU CA C 52.617 0.07 1 207 48 48 GLU CB C 26.758 0.00 1 208 48 48 GLU N N 131.342 0.00 1 209 49 49 PRO C C 173.999 0.01 1 210 49 49 PRO CA C 60.074 0.04 1 211 49 49 PRO CB C 30.105 0.05 1 212 50 50 ASN H H 7.818 0.01 1 213 50 50 ASN C C 171.259 0.01 1 214 50 50 ASN CA C 52.479 0.07 1 215 50 50 ASN CB C 34.443 0.07 1 216 50 50 ASN N N 115.950 0.00 1 217 51 51 VAL H H 8.523 0.01 1 218 51 51 VAL C C 173.978 0.01 1 219 51 51 VAL CA C 58.978 0.04 1 220 51 51 VAL CB C 32.460 0.18 1 221 51 51 VAL N N 121.882 0.00 1 222 52 52 THR H H 8.377 0.01 1 223 52 52 THR C C 170.783 0.01 1 224 52 52 THR CA C 59.310 0.12 1 225 52 52 THR CB C 66.779 0.14 1 226 52 52 THR N N 123.178 0.00 1 227 53 53 ASN H H 8.408 0.01 1 228 53 53 ASN C C 172.806 0.01 1 229 53 53 ASN CA C 52.899 0.03 1 230 53 53 ASN CB C 36.940 0.02 1 231 53 53 ASN N N 120.728 0.00 1 232 54 54 GLN H H 8.842 0.01 1 233 54 54 GLN C C 170.040 0.01 1 234 54 54 GLN CA C 51.930 0.04 1 235 54 54 GLN CB C 29.680 0.13 1 236 54 54 GLN N N 122.162 0.00 1 237 55 55 SER H H 8.577 0.01 1 238 55 55 SER C C 171.972 0.01 1 239 55 55 SER CA C 54.874 0.03 1 240 55 55 SER CB C 60.988 0.07 1 241 55 55 SER N N 115.893 0.00 1 242 56 56 ARG H H 8.907 0.01 1 243 56 56 ARG C C 170.411 0.02 1 244 56 56 ARG CA C 52.665 0.09 1 245 56 56 ARG CB C 32.052 0.10 1 246 56 56 ARG N N 127.627 0.00 1 247 57 57 GLN H H 7.972 0.01 1 248 57 57 GLN C C 172.560 0.01 1 249 57 57 GLN CA C 51.891 0.01 1 250 57 57 GLN CB C 27.927 0.04 1 251 57 57 GLN N N 119.802 0.00 1 252 58 58 TYR H H 8.900 0.01 1 253 58 58 TYR C C 171.796 0.02 1 254 58 58 TYR CA C 53.971 0.03 1 255 58 58 TYR CB C 39.986 0.11 1 256 58 58 TYR N N 122.995 0.00 1 257 59 59 THR H H 8.746 0.01 1 258 59 59 THR C C 170.466 0.00 1 259 59 59 THR CA C 59.412 0.05 1 260 59 59 THR CB C 65.752 0.11 1 261 59 59 THR N N 120.578 0.00 1 262 60 60 LEU H H 8.802 0.01 1 263 60 60 LEU C C 173.126 0.00 1 264 60 60 LEU CA C 49.624 0.09 1 265 60 60 LEU CB C 41.686 0.04 1 266 60 60 LEU N N 126.370 0.00 1 267 61 61 PHE H H 9.364 0.01 1 268 61 61 PHE C C 174.165 0.01 1 269 61 61 PHE CA C 55.560 0.08 1 270 61 61 PHE CB C 33.239 0.16 1 271 61 61 PHE N N 123.846 0.00 1 272 62 62 GLY H H 8.823 0.01 1 273 62 62 GLY C C 171.075 0.03 1 274 62 62 GLY CA C 42.633 0.07 1 275 62 62 GLY N N 103.836 0.00 1 276 63 63 GLU H H 8.109 0.01 1 277 63 63 GLU C C 172.474 0.01 1 278 63 63 GLU CA C 51.868 0.07 1 279 63 63 GLU CB C 29.538 0.07 1 280 63 63 GLU N N 121.534 0.00 1 281 64 64 THR H H 8.781 0.01 1 282 64 64 THR C C 171.644 0.02 1 283 64 64 THR CA C 60.634 0.13 1 284 64 64 THR CB C 66.052 0.07 1 285 64 64 THR N N 119.919 0.00 1 286 65 65 LYS H H 9.278 0.01 1 287 65 65 LYS C C 172.154 0.00 1 288 65 65 LYS CA C 50.199 0.11 1 289 65 65 LYS CB C 32.955 0.02 1 290 65 65 LYS N N 127.522 0.00 1 291 66 66 GLN H H 8.442 0.01 1 292 66 66 GLN C C 172.911 0.01 1 293 66 66 GLN CA C 51.864 0.05 1 294 66 66 GLN CB C 26.262 0.07 1 295 66 66 GLN N N 120.844 0.01 1 296 67 67 ILE H H 9.308 0.01 1 297 67 67 ILE C C 172.310 0.02 1 298 67 67 ILE CA C 57.504 0.04 1 299 67 67 ILE CB C 38.995 0.02 1 300 67 67 ILE N N 127.600 0.00 1 301 68 68 THR H H 8.647 0.01 1 302 68 68 THR C C 171.146 0.02 1 303 68 68 THR CA C 60.638 0.15 1 304 68 68 THR CB C 66.301 0.02 1 305 68 68 THR N N 124.750 0.00 1 306 69 69 VAL H H 8.975 0.01 1 307 69 69 VAL C C 170.083 0.01 1 308 69 69 VAL CA C 56.565 0.05 1 309 69 69 VAL CB C 33.363 0.09 1 310 69 69 VAL N N 119.985 0.00 1 311 70 70 GLU H H 6.556 0.01 1 312 70 70 GLU C C 172.032 0.02 1 313 70 70 GLU CA C 53.179 0.06 1 314 70 70 GLU CB C 30.388 0.07 1 315 70 70 GLU N N 114.709 0.00 1 316 71 71 ASN H H 9.599 0.01 1 317 71 71 ASN C C 171.404 0.00 1 318 71 71 ASN CA C 50.160 0.03 1 319 71 71 ASN CB C 36.161 0.00 1 320 71 71 ASN N N 120.355 0.00 1 321 72 72 ASN C C 172.317 0.01 1 322 72 72 ASN CA C 49.801 0.09 1 323 72 72 ASN CB C 34.939 0.05 1 324 73 73 THR H H 7.686 0.01 1 325 73 73 THR C C 169.358 0.02 1 326 73 73 THR CA C 57.614 0.05 1 327 73 73 THR CB C 69.329 0.05 1 328 73 73 THR N N 110.307 0.01 1 329 74 74 ASN H H 8.193 0.01 1 330 74 74 ASN C C 172.359 0.01 1 331 74 74 ASN CA C 49.894 0.06 1 332 74 74 ASN CB C 35.895 0.04 1 333 74 74 ASN N N 113.934 0.00 1 334 75 75 LYS H H 8.617 0.01 1 335 75 75 LYS C C 171.876 0.01 1 336 75 75 LYS CA C 52.754 0.07 1 337 75 75 LYS CB C 32.637 0.07 1 338 75 75 LYS N N 122.136 0.00 1 339 76 76 TRP H H 8.159 0.01 1 340 76 76 TRP C C 172.957 0.02 1 341 76 76 TRP CA C 55.233 0.07 1 342 76 76 TRP CB C 26.563 0.18 1 343 76 76 TRP N N 120.893 0.01 1 344 77 77 LYS H H 8.957 0.01 1 345 77 77 LYS C C 172.595 0.01 1 346 77 77 LYS CA C 52.968 0.08 1 347 77 77 LYS CB C 35.346 0.07 1 348 77 77 LYS N N 119.771 0.00 1 349 78 78 PHE H H 9.813 0.01 1 350 78 78 PHE C C 174.181 0.00 1 351 78 78 PHE CA C 53.023 0.07 1 352 78 78 PHE CB C 37.702 0.05 1 353 78 78 PHE N N 120.645 0.00 1 354 79 79 PHE H H 9.540 0.01 1 355 79 79 PHE C C 171.474 0.01 1 356 79 79 PHE CA C 53.520 0.09 1 357 79 79 PHE CB C 37.047 0.20 1 358 79 79 PHE N N 126.349 0.00 1 359 80 80 GLU H H 8.859 0.01 1 360 80 80 GLU C C 171.900 0.01 1 361 80 80 GLU CA C 53.143 0.07 1 362 80 80 GLU CB C 28.033 0.11 1 363 80 80 GLU N N 125.980 0.00 1 364 81 81 MET H H 9.441 0.01 1 365 81 81 MET C C 174.040 0.01 1 366 81 81 MET CA C 49.022 0.07 1 367 81 81 MET CB C 27.785 0.25 1 368 81 81 MET N N 126.630 0.00 1 369 82 82 PHE H H 9.776 0.01 1 370 82 82 PHE C C 172.692 0.01 1 371 82 82 PHE CA C 54.840 0.04 1 372 82 82 PHE CB C 44.484 0.05 1 373 82 82 PHE N N 123.688 0.00 1 374 83 83 ARG H H 8.021 0.01 1 375 83 83 ARG C C 170.109 0.01 1 376 83 83 ARG CA C 53.334 0.03 1 377 83 83 ARG CB C 30.087 0.13 1 378 83 83 ARG N N 122.270 0.01 1 379 84 84 SER H H 8.989 0.01 1 380 84 84 SER C C 170.074 0.02 1 381 84 84 SER CA C 53.947 0.09 1 382 84 84 SER CB C 62.493 0.02 1 383 84 84 SER N N 110.962 0.00 1 384 85 85 ASN H H 6.677 0.01 1 385 85 85 ASN C C 171.427 0.01 1 386 85 85 ASN CA C 50.005 0.04 1 387 85 85 ASN CB C 39.702 0.07 1 388 85 85 ASN N N 117.620 0.00 1 389 86 86 VAL H H 8.067 0.01 1 390 86 86 VAL C C 170.798 0.04 1 391 86 86 VAL CA C 60.643 0.13 1 392 86 86 VAL CB C 29.149 0.11 1 393 86 86 VAL N N 124.003 0.00 1 394 87 87 SER H H 7.644 0.01 1 395 87 87 SER C C 171.228 0.02 1 396 87 87 SER CA C 55.169 0.05 1 397 87 87 SER CB C 61.094 0.07 1 398 87 87 SER N N 113.266 0.01 1 399 88 88 ALA H H 6.855 0.01 1 400 88 88 ALA C C 174.224 0.01 1 401 88 88 ALA CA C 48.345 0.02 1 402 88 88 ALA CB C 18.577 0.08 1 403 88 88 ALA N N 124.066 0.00 1 404 89 89 GLU H H 8.163 0.01 1 405 89 89 GLU C C 174.056 0.02 1 406 89 89 GLU CA C 51.780 0.08 1 407 89 89 GLU CB C 27.254 0.02 1 408 89 89 GLU N N 117.886 0.00 1 409 90 90 PHE H H 9.126 0.01 1 410 90 90 PHE C C 173.482 0.01 1 411 90 90 PHE CA C 57.845 0.05 1 412 90 90 PHE CB C 37.737 0.02 1 413 90 90 PHE N N 118.583 0.00 1 414 91 91 GLN H H 9.395 0.01 1 415 91 91 GLN CA C 51.288 0.12 1 416 91 91 GLN CB C 28.989 0.00 1 417 91 91 GLN N N 121.602 0.00 1 418 92 92 HIS H H 8.841 0.00 1 419 92 92 HIS C C 171.480 0.02 1 420 92 92 HIS CA C 51.873 0.06 1 421 92 92 HIS CB C 27.409 0.09 1 422 92 92 HIS N N 123.053 0.00 1 423 93 93 LYS H H 9.200 0.01 1 424 93 93 LYS C C 173.149 0.01 1 425 93 93 LYS CA C 56.197 0.08 1 426 93 93 LYS CB C 33.438 0.04 1 427 93 93 LYS N N 132.807 0.00 1 428 94 94 ARG H H 7.578 0.01 1 429 94 94 ARG C C 172.481 0.02 1 430 94 94 ARG CA C 52.085 0.05 1 431 94 94 ARG CB C 34.195 0.07 1 432 94 94 ARG N N 113.381 0.00 1 433 95 95 THR H H 9.026 0.01 1 434 95 95 THR C C 170.138 0.01 1 435 95 95 THR CA C 59.399 0.12 1 436 95 95 THR CB C 69.045 0.07 1 437 95 95 THR N N 116.724 0.00 1 438 96 96 LEU H H 9.058 0.01 1 439 96 96 LEU C C 171.954 0.00 1 440 96 96 LEU CA C 51.093 0.06 1 441 96 96 LEU CB C 41.916 0.13 1 442 96 96 LEU N N 130.244 0.00 1 443 97 97 THR H H 9.630 0.01 1 444 97 97 THR C C 171.650 0.02 1 445 97 97 THR CA C 60.629 0.12 1 446 97 97 THR CB C 65.999 0.09 1 447 97 97 THR N N 128.394 0.00 1 448 98 98 SER H H 9.943 0.01 1 449 98 98 SER C C 172.429 0.01 1 450 98 98 SER CA C 54.485 0.09 1 451 98 98 SER CB C 63.804 0.05 1 452 98 98 SER N N 120.145 0.00 1 453 99 99 ASP H H 8.813 0.01 1 454 99 99 ASP C C 173.536 0.00 1 455 99 99 ASP CA C 51.864 0.06 1 456 99 99 ASP CB C 39.720 0.08 1 457 99 99 ASP N N 125.958 0.00 1 458 100 100 THR H H 8.352 0.01 1 459 100 100 THR C C 172.201 0.00 1 460 100 100 THR CA C 58.613 0.04 1 461 100 100 THR CB C 68.010 0.13 1 462 100 100 THR N N 110.301 0.00 1 463 101 101 LYS H H 8.434 0.01 1 464 101 101 LYS C C 170.642 0.00 1 465 101 101 LYS CA C 55.982 0.01 1 466 101 101 LYS CB C 28.706 0.09 1 467 101 101 LYS N N 117.058 0.00 1 468 102 102 LEU H H 6.854 0.01 1 469 102 102 LEU C C 172.294 0.01 1 470 102 102 LEU CA C 50.567 0.07 1 471 102 102 LEU CB C 42.908 0.05 1 472 102 102 LEU N N 115.788 0.00 1 473 103 103 ALA H H 7.669 0.01 1 474 103 103 ALA C C 172.207 0.01 1 475 103 103 ALA CA C 47.362 0.12 1 476 103 103 ALA CB C 18.682 0.16 1 477 103 103 ALA N N 119.771 0.00 1 478 104 104 GLY H H 8.212 0.01 1 479 104 104 GLY C C 170.337 0.02 1 480 104 104 GLY CA C 42.010 0.03 1 481 104 104 GLY N N 104.375 0.00 1 482 105 105 PHE H H 9.036 0.01 1 483 105 105 PHE C C 170.294 0.03 1 484 105 105 PHE CA C 55.277 0.04 1 485 105 105 PHE CB C 42.164 0.07 1 486 105 105 PHE N N 122.193 0.00 1 487 106 106 MET H H 8.171 0.01 1 488 106 106 MET C C 171.591 0.02 1 489 106 106 MET CA C 52.442 0.08 1 490 106 106 MET CB C 33.664 0.04 1 491 106 106 MET N N 127.828 0.00 1 492 107 107 LYS H H 9.354 0.01 1 493 107 107 LYS C C 171.243 0.01 1 494 107 107 LYS CA C 52.731 0.14 1 495 107 107 LYS CB C 29.892 0.09 1 496 107 107 LYS N N 126.792 0.01 1 497 108 108 PHE H H 8.965 0.01 1 498 108 108 PHE C C 171.591 0.00 1 499 108 108 PHE CA C 55.100 0.08 1 500 108 108 PHE CB C 38.605 0.00 1 501 108 108 PHE N N 125.037 0.00 1 502 109 109 TYR C C 172.822 0.00 1 503 109 109 TYR CA C 52.683 0.00 1 504 109 109 TYR CB C 37.276 0.00 1 505 110 110 ASN H H 8.841 0.00 1 506 110 110 ASN C C 170.197 0.00 1 507 110 110 ASN CA C 51.713 0.01 1 508 110 110 ASN CB C 35.48 2.90 1 509 110 110 ASN N N 123.024 0.00 1 510 111 111 SER H H 7.600 0.01 1 511 111 111 SER C C 168.466 0.01 1 512 111 111 SER CA C 55.131 0.07 1 513 111 111 SER CB C 65.398 0.02 1 514 111 111 SER N N 110.708 0.00 1 515 112 112 VAL H H 8.324 0.01 1 516 112 112 VAL C C 172.701 0.01 1 517 112 112 VAL CA C 57.012 0.05 1 518 112 112 VAL CB C 30.583 0.09 1 519 112 112 VAL N N 116.440 0.00 1 520 113 113 TRP H H 9.587 0.01 1 521 113 113 TRP C C 171.634 0.02 1 522 113 113 TRP CA C 53.692 0.12 1 523 113 113 TRP CB C 28.741 0.07 1 524 113 113 TRP N N 128.725 0.00 1 525 114 114 THR H H 8.528 0.01 1 526 114 114 THR C C 170.894 0.02 1 527 114 114 THR CA C 56.326 0.16 1 528 114 114 THR CB C 69.878 0.18 1 529 114 114 THR N N 110.495 0.00 1 530 115 115 PHE H H 9.352 0.01 1 531 115 115 PHE C C 172.728 0.00 1 532 115 115 PHE CA C 54.533 0.07 1 533 115 115 PHE CB C 40.550 0.02 1 534 115 115 PHE N N 117.081 0.00 1 535 116 116 HIS H H 9.700 0.01 1 536 116 116 HIS C C 170.120 0.01 1 537 116 116 HIS CA C 52.775 0.06 1 538 116 116 HIS CB C 31.699 0.08 1 539 116 116 HIS N N 115.570 0.00 1 540 117 117 GLY H H 8.686 0.01 1 541 117 117 GLY C C 170.216 0.05 1 542 117 117 GLY CA C 40.929 0.08 1 543 117 117 GLY N N 106.359 0.00 1 544 118 118 GLU H H 8.702 0.01 1 545 118 118 GLU C C 174.419 0.01 1 546 118 118 GLU CA C 51.027 0.03 1 547 118 118 GLU CB C 28.794 0.05 1 548 118 118 GLU N N 122.823 0.00 1 549 119 119 THR H H 8.817 0.01 1 550 119 119 THR C C 169.927 0.00 1 551 119 119 THR CA C 58.579 0.11 1 552 119 119 THR CB C 65.167 0.00 1 553 119 119 THR N N 118.600 0.00 1 554 120 120 PRO C C 172.822 0.00 1 555 120 120 PRO CA C 61.18 0.11 1 556 120 120 PRO CB C 37.250 0.13 1 557 121 121 HIS H H 8.842 0.01 1 558 121 121 HIS C C 172.827 0.05 1 559 121 121 HIS CA C 51.882 0.09 1 560 121 121 HIS CB C 27.615 0.07 1 561 121 121 HIS N N 123.029 0.01 1 562 122 122 ALA H H 9.347 0.01 1 563 122 122 ALA C C 175.892 0.00 1 564 122 122 ALA CA C 50.708 0.04 1 565 122 122 ALA CB C 16.983 0.04 1 566 122 122 ALA N N 126.782 0.00 1 567 123 123 THR H H 8.560 0.01 1 568 123 123 THR C C 170.543 0.03 1 569 123 123 THR CA C 57.163 0.07 1 570 123 123 THR CB C 69.063 0.07 1 571 123 123 THR N N 113.316 0.00 1 572 124 124 THR H H 8.028 0.01 1 573 124 124 THR C C 172.716 0.02 1 574 124 124 THR CA C 57.424 0.10 1 575 124 124 THR CB C 69.364 0.04 1 576 124 124 THR N N 109.507 0.00 1 577 125 125 ASP H H 9.217 0.01 1 578 125 125 ASP C C 170.777 0.01 1 579 125 125 ASP CA C 50.695 0.04 1 580 125 125 ASP CB C 41.792 0.11 1 581 125 125 ASP N N 118.987 0.00 1 582 126 126 TYR H H 7.869 0.01 1 583 126 126 TYR C C 173.446 0.01 1 584 126 126 TYR CA C 52.475 0.05 1 585 126 126 TYR CB C 37.702 0.04 1 586 126 126 TYR N N 113.310 0.00 1 587 127 127 SER H H 8.409 0.01 1 588 127 127 SER C C 170.431 0.00 1 589 127 127 SER CA C 54.888 0.03 1 590 127 127 SER CB C 62.352 0.00 1 591 127 127 SER N N 116.927 0.00 1 592 128 128 SER C C 169.259 0.00 1 593 128 128 SER CA C 56.535 0.13 1 594 128 128 SER CB C 61.873 0.05 1 595 129 129 THR H H 8.009 0.01 1 596 129 129 THR C C 170.238 0.02 1 597 129 129 THR CA C 56.601 0.09 1 598 129 129 THR CB C 65.716 0.11 1 599 129 129 THR N N 114.194 0.00 1 600 130 130 SER H H 9.770 0.01 1 601 130 130 SER C C 171.439 0.00 1 602 130 130 SER CA C 56.025 0.03 1 603 130 130 SER CB C 61.377 0.07 1 604 130 130 SER N N 125.961 0.00 1 605 131 131 ASN H H 9.104 0.01 1 606 131 131 ASN C C 172.827 0.01 1 607 131 131 ASN CA C 48.757 0.08 1 608 131 131 ASN CB C 36.427 0.08 1 609 131 131 ASN N N 124.103 0.00 1 610 132 132 LEU H H 8.706 0.01 1 611 132 132 LEU CA C 54.941 0.03 1 612 132 132 LEU CB C 40.145 0.00 1 613 132 132 LEU N N 124.681 0.00 1 614 133 133 SER C C 173.255 0.00 1 615 133 133 SER CA C 58.952 0.10 1 616 133 133 SER CB C 59.987 0.08 1 617 134 134 GLU H H 6.420 0.01 1 618 134 134 GLU C C 173.560 0.01 1 619 134 134 GLU CA C 52.749 0.04 1 620 134 134 GLU CB C 26.970 0.13 1 621 134 134 GLU N N 114.497 0.00 1 622 135 135 VAL H H 7.686 0.01 1 623 135 135 VAL C C 171.259 0.02 1 624 135 135 VAL CA C 62.011 0.11 1 625 135 135 VAL CB C 28.334 0.11 1 626 135 135 VAL N N 117.718 0.00 1 627 136 136 GLU H H 8.471 0.01 1 628 136 136 GLU C C 171.954 0.00 1 629 136 136 GLU CA C 52.019 0.08 1 630 136 136 GLU CB C 30.370 0.13 1 631 136 136 GLU N N 131.632 0.00 1 632 137 137 THR H H 8.813 0.01 1 633 137 137 THR C C 171.974 0.01 1 634 137 137 THR CA C 55.286 0.07 1 635 137 137 THR CB C 67.912 0.02 1 636 137 137 THR N N 109.204 0.00 1 637 138 138 VAL H H 9.014 0.01 1 638 138 138 VAL C C 171.857 0.02 1 639 138 138 VAL CA C 60.452 0.04 1 640 138 138 VAL CB C 29.414 0.15 1 641 138 138 VAL N N 126.379 0.00 1 642 139 139 ILE H H 8.584 0.01 1 643 139 139 ILE C C 173.486 0.01 1 644 139 139 ILE CA C 58.553 0.09 1 645 139 139 ILE CB C 35.895 0.05 1 646 139 139 ILE N N 127.538 0.00 1 647 140 140 HIS H H 7.739 0.01 1 648 140 140 HIS C C 170.952 0.03 1 649 140 140 HIS CA C 54.921 0.08 1 650 140 140 HIS CB C 30.291 0.03 1 651 140 140 HIS N N 124.684 0.00 1 652 141 141 VAL H H 7.030 0.01 1 653 141 141 VAL C C 170.361 0.01 1 654 141 141 VAL CA C 54.702 0.05 1 655 141 141 VAL CB C 32.672 0.09 1 656 141 141 VAL N N 108.458 0.00 1 657 142 142 GLU H H 8.182 0.01 1 658 142 142 GLU C C 173.490 0.00 1 659 142 142 GLU CA C 54.144 0.07 1 660 142 142 GLU CB C 28.370 0.02 1 661 142 142 GLU N N 118.745 0.00 1 662 143 143 PHE H H 8.199 0.01 1 663 143 143 PHE C C 169.822 0.02 1 664 143 143 PHE CA C 52.497 0.03 1 665 143 143 PHE CB C 40.145 0.16 1 666 143 143 PHE N N 116.092 0.00 1 667 144 144 TYR H H 9.335 0.01 1 668 144 144 TYR C C 172.312 0.01 1 669 144 144 TYR CA C 52.979 0.11 1 670 144 144 TYR CB C 40.482 0.02 1 671 144 144 TYR N N 117.253 0.00 1 672 145 145 ILE H H 9.279 0.01 1 673 145 145 ILE C C 173.700 0.03 1 674 145 145 ILE CA C 58.009 0.14 1 675 145 145 ILE CB C 37.932 0.05 1 676 145 145 ILE N N 120.404 0.00 1 677 146 146 ILE H H 9.660 0.01 1 678 146 146 ILE C C 170.595 0.00 1 679 146 146 ILE CA C 55.671 0.01 1 680 146 146 ILE CB C 41.633 0.00 1 681 146 146 ILE N N 127.981 0.00 1 682 148 148 ARG C C 173.184 0.02 1 683 148 148 ARG CA C 62.385 0.02 1 684 148 148 ARG CB C 29.786 0.05 1 685 149 149 SER H H 7.719 0.01 1 686 149 149 SER C C 168.228 0.02 1 687 149 149 SER CA C 57.837 0.18 1 688 149 149 SER CB C 66.000 0.20 1 689 149 149 SER N N 115.964 0.00 1 690 150 150 GLN H H 7.938 0.01 1 691 150 150 GLN C C 173.431 0.02 1 692 150 150 GLN CA C 51.443 0.05 1 693 150 150 GLN CB C 24.668 0.07 1 694 150 150 GLN N N 120.827 0.00 1 695 151 151 GLU H H 7.786 0.01 1 696 151 151 GLU C C 174.345 0.00 1 697 151 151 GLU CA C 57.968 0.03 1 698 151 151 GLU CB C 27.820 0.00 1 699 151 151 GLU N N 122.561 0.00 1 700 152 152 SER C C 174.415 0.00 1 701 152 152 SER CA C 58.971 0.06 1 702 153 153 LYS H H 7.227 0.01 1 703 153 153 LYS C C 174.033 0.01 1 704 153 153 LYS CA C 54.232 0.13 1 705 153 153 LYS CB C 28.192 0.11 1 706 153 153 LYS N N 122.973 0.00 1 707 154 154 CYS H H 7.501 0.01 1 708 154 154 CYS C C 172.654 0.02 1 709 154 154 CYS CA C 59.568 0.05 1 710 154 154 CYS CB C 23.074 0.14 1 711 154 154 CYS N N 117.778 0.00 1 712 155 155 SER H H 8.456 0.01 1 713 155 155 SER C C 173.747 0.00 1 714 155 155 SER CA C 58.341 0.06 1 715 155 155 SER CB C 59.882 0.03 1 716 155 155 SER N N 110.648 0.00 1 717 156 156 GLU H H 7.421 0.01 1 718 156 156 GLU C C 176.829 0.01 1 719 156 156 GLU CA C 56.946 0.06 1 720 156 156 GLU CB C 26.439 0.09 1 721 156 156 GLU N N 121.955 0.00 1 722 157 157 TYR H H 8.024 0.01 1 723 157 157 TYR C C 175.728 0.01 1 724 157 157 TYR CA C 56.402 0.06 1 725 157 157 TYR CB C 34.124 0.07 1 726 157 157 TYR N N 121.324 0.00 1 727 158 158 ILE H H 8.101 0.01 1 728 158 158 ILE C C 176.013 0.02 1 729 158 158 ILE CA C 60.386 0.07 1 730 158 158 ILE CB C 32.956 0.09 1 731 158 158 ILE N N 118.093 0.00 1 732 159 159 ASN H H 7.968 0.01 1 733 159 159 ASN C C 173.845 0.01 1 734 159 159 ASN CA C 54.051 0.08 1 735 159 159 ASN CB C 38.056 0.07 1 736 159 159 ASN N N 115.111 0.00 1 737 160 160 THR H H 8.756 0.01 1 738 160 160 THR C C 172.294 0.00 1 739 160 160 THR CA C 59.743 0.04 1 740 160 160 THR CB C 68.461 0.23 1 741 160 160 THR N N 109.023 0.00 1 742 161 161 GLY H H 8.613 0.01 1 743 161 161 GLY C C 169.763 0.01 1 744 161 161 GLY CA C 42.084 0.07 1 745 161 161 GLY N N 114.989 0.00 1 746 162 162 LEU H H 7.499 0.01 1 747 162 162 LEU C C 168.158 0.00 1 748 162 162 LEU CA C 54.303 0.13 1 749 162 162 LEU N N 123.891 0.00 1 stop_ save_