data_27177 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for truncated forms of the coronavirus nsp1 protein and its solubility domain GB1 ; _BMRB_accession_number 27177 _BMRB_flat_file_name bmr27177.str _Entry_type original _Submission_date 2017-07-13 _Accession_date 2017-07-13 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'The data deposited here represent a study of the truncated froms of the globular domain of the nsp1 SARS coronavirus protein.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vazquez Leonardo . . 2 Almeida Marcius S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 318 "13C chemical shifts" 330 "15N chemical shifts" 112 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-11-02 update BMRB 'update entry citation' 2017-08-10 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27169 'solubility domain GB1' 27176 'truncated forms of the coronavirus nsp1 protein; nsp1(13-25)' stop_ _Original_release_date 2017-07-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Comprehensive structural analysis of designed incomplete polypeptide chains of the replicase nonstructural protein 1 from the severe acute respiratory syndrome coronavirus ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28750053 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vazquez Leonardo . . 2 Lima Luis MTR . 3 Almeida Marcius S. . stop_ _Journal_abbreviation 'PLoS ONE' _Journal_name_full 'PloS one' _Journal_volume 12 _Journal_issue 7 _Journal_ISSN 1932-6203 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e0182132 _Page_last e0182132 _Year 2017 _Details . loop_ _Keyword coronavirus nsp1 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Coronavirus nsp1 truncated proteins; nsp1(13-50)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Coronavirus nsp1 truncated proteins; nsp1(13-50)' $nsp1(13-50) stop_ _System_molecular_weight . _System_physical_state 'partially disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Virulence factor of the SARS coronavirus' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_nsp1(13-50) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common nsp1(13-50) _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 124 _Mol_residue_sequence ; MGHVQLSLPVLQVRDVLVRG FGDSVEEALSEAREHLKNGT HGRAPIKVESQEHKLVPRGS FQYKLILNGKTLKGETTTEA VDAATAEKVFKQYANDNGVD GEWTYDDATKTFTVTESGHH HHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 HIS 4 VAL 5 GLN 6 LEU 7 SER 8 LEU 9 PRO 10 VAL 11 LEU 12 GLN 13 VAL 14 ARG 15 ASP 16 VAL 17 LEU 18 VAL 19 ARG 20 GLY 21 PHE 22 GLY 23 ASP 24 SER 25 VAL 26 GLU 27 GLU 28 ALA 29 LEU 30 SER 31 GLU 32 ALA 33 ARG 34 GLU 35 HIS 36 LEU 37 LYS 38 ASN 39 GLY 40 THR 41 HIS 42 GLY 43 ARG 44 ALA 45 PRO 46 ILE 47 LYS 48 VAL 49 GLU 50 SER 51 GLN 52 GLU 53 HIS 54 LYS 55 LEU 56 VAL 57 PRO 58 ARG 59 GLY 60 SER 61 PHE 62 GLN 63 TYR 64 LYS 65 LEU 66 ILE 67 LEU 68 ASN 69 GLY 70 LYS 71 THR 72 LEU 73 LYS 74 GLY 75 GLU 76 THR 77 THR 78 THR 79 GLU 80 ALA 81 VAL 82 ASP 83 ALA 84 ALA 85 THR 86 ALA 87 GLU 88 LYS 89 VAL 90 PHE 91 LYS 92 GLN 93 TYR 94 ALA 95 ASN 96 ASP 97 ASN 98 GLY 99 VAL 100 ASP 101 GLY 102 GLU 103 TRP 104 THR 105 TYR 106 ASP 107 ASP 108 ALA 109 THR 110 LYS 111 THR 112 PHE 113 THR 114 VAL 115 THR 116 GLU 117 SER 118 GLY 119 HIS 120 HIS 121 HIS 122 HIS 123 HIS 124 HIS 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 $nsp1(13-50) 'SARS coronavirus' 227859 Viruses . SARS coronavirus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $nsp1(13-50) 'recombinant technology' . Escherichia coli BL21 DE3 pET-25(+) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_All_samples _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'potassium phosphate' 2 mM 'natural abundance' 'sodium chloride' 250 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 3 mM 'natural abundance' $nsp1(13-50) 2 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $All_samples save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $All_samples save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $All_samples save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $All_samples save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $All_samples save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $All_samples save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $All_samples save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $All_samples save_ ####################### # Sample conditions # ####################### save_Condition_of_all_samples _Saveframe_category sample_conditions _Details 'The condition described here were applied exactly the same for all samples deposited.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 250 . mM pH 7.0 . 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 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 $XEASY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HNCA' '3D HBHA(CO)NH' stop_ loop_ _Sample_label $All_samples stop_ _Sample_conditions_label $Condition_of_all_samples _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Coronavirus nsp1 truncated proteins; nsp1(13-50)' _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 3 3 HIS HA H 4.591 0.020 1 2 3 3 HIS CA C 56.294 0.3 1 3 3 3 HIS CB C 30.512 0.3 1 4 4 4 VAL H H 8.191 0.020 1 5 4 4 VAL HA H 3.967 0.020 1 6 4 4 VAL HB H 1.887 0.020 1 7 4 4 VAL CA C 62.487 0.3 1 8 4 4 VAL CB C 32.688 0.3 1 9 4 4 VAL N N 121.297 0.3 1 10 5 5 GLN H H 8.480 0.020 1 11 5 5 GLN HA H 4.253 0.020 1 12 5 5 GLN C C 175.893 0.3 1 13 5 5 GLN CA C 55.638 0.3 1 14 5 5 GLN CB C 29.582 0.3 1 15 5 5 GLN N N 123.686 0.3 1 16 6 6 LEU H H 8.346 0.020 1 17 6 6 LEU HA H 4.236 0.020 1 18 6 6 LEU HB2 H 1.479 0.020 2 19 6 6 LEU HB3 H 1.533 0.020 2 20 6 6 LEU C C 177.331 0.3 1 21 6 6 LEU CA C 54.792 0.3 1 22 6 6 LEU CB C 42.514 0.3 1 23 6 6 LEU N N 123.497 0.3 1 24 7 7 SER H H 8.250 0.020 1 25 7 7 SER HA H 3.736 0.020 1 26 7 7 SER C C 174.007 0.3 1 27 7 7 SER CA C 57.964 0.3 1 28 7 7 SER CB C 63.901 0.3 1 29 7 7 SER N N 115.422 0.3 1 30 8 8 LEU H H 8.164 0.020 1 31 8 8 LEU HA H 4.526 0.020 1 32 8 8 LEU CA C 53.059 0.3 1 33 8 8 LEU CB C 41.778 0.3 1 34 8 8 LEU N N 123.749 0.3 1 35 9 9 PRO HA H 4.323 0.020 1 36 9 9 PRO HB2 H 1.908 0.020 2 37 9 9 PRO HB3 H 2.428 0.020 2 38 9 9 PRO C C 177.811 0.3 1 39 9 9 PRO CA C 59.281 0.3 1 40 9 9 PRO CB C 27.853 0.3 1 41 10 10 VAL H H 8.241 0.020 1 42 10 10 VAL HA H 3.942 0.020 1 43 10 10 VAL HB H 1.910 0.020 1 44 10 10 VAL C C 176.330 0.3 1 45 10 10 VAL CA C 62.186 0.3 1 46 10 10 VAL CB C 32.547 0.3 1 47 10 10 VAL N N 119.250 0.3 1 48 11 11 LEU H H 8.245 0.020 1 49 11 11 LEU HA H 4.279 0.020 1 50 11 11 LEU CA C 55.021 0.3 1 51 11 11 LEU CB C 42.465 0.3 1 52 11 11 LEU N N 124.729 0.3 1 53 12 12 GLN H H 8.512 0.020 1 54 12 12 GLN HA H 4.341 0.020 1 55 12 12 GLN CA C 56.153 0.3 1 56 12 12 GLN CB C 29.652 0.3 1 57 12 12 GLN N N 121.771 0.3 1 58 13 13 VAL H H 8.194 0.020 1 59 13 13 VAL HA H 4.016 0.020 1 60 13 13 VAL HB H 2.001 0.020 1 61 13 13 VAL CA C 62.834 0.3 1 62 13 13 VAL CB C 32.659 0.3 1 63 13 13 VAL N N 120.969 0.3 1 64 14 14 ARG H H 8.342 0.020 1 65 14 14 ARG CA C 56.100 0.3 1 66 14 14 ARG CB C 30.497 0.3 1 67 14 14 ARG N N 123.034 0.3 1 68 15 15 ASP H H 8.402 0.020 1 69 15 15 ASP HA H 4.503 0.020 1 70 15 15 ASP C C 176.311 0.3 1 71 15 15 ASP CA C 54.341 0.3 1 72 15 15 ASP CB C 41.064 0.3 1 73 15 15 ASP N N 121.074 0.3 1 74 16 16 VAL H H 7.990 0.020 1 75 16 16 VAL HA H 3.979 0.020 1 76 16 16 VAL HB H 1.954 0.020 1 77 16 16 VAL CA C 62.268 0.3 1 78 16 16 VAL CB C 32.679 0.3 1 79 16 16 VAL N N 118.282 0.3 1 80 17 17 LEU H H 8.215 0.020 1 81 17 17 LEU HA H 4.248 0.020 1 82 17 17 LEU CA C 55.075 0.3 1 83 17 17 LEU CB C 42.051 0.3 1 84 17 17 LEU N N 123.622 0.3 1 85 18 18 VAL H H 8.007 0.020 1 86 18 18 VAL HA H 3.977 0.020 1 87 18 18 VAL HB H 1.948 0.020 1 88 18 18 VAL CA C 62.378 0.3 1 89 18 18 VAL CB C 32.469 0.3 1 90 18 18 VAL CG1 C 20.624 0.3 1 91 18 18 VAL CG2 C 21.087 0.3 1 92 18 18 VAL N N 120.219 0.3 1 93 19 19 ARG H H 8.331 0.020 1 94 19 19 ARG HA H 4.214 0.020 1 95 19 19 ARG CA C 56.315 0.3 1 96 19 19 ARG CB C 31.004 0.3 1 97 19 19 ARG N N 123.232 0.3 1 98 20 20 GLY H H 8.555 0.020 1 99 20 20 GLY C C 173.864 0.3 1 100 20 20 GLY CA C 44.976 0.3 1 101 20 20 GLY N N 109.640 0.3 1 102 21 21 PHE H H 8.150 0.020 1 103 21 21 PHE HA H 4.476 0.020 1 104 21 21 PHE HB2 H 2.906 0.020 2 105 21 21 PHE HB3 H 3.052 0.020 2 106 21 21 PHE C C 176.575 0.3 1 107 21 21 PHE CA C 58.004 0.3 1 108 21 21 PHE CB C 39.565 0.3 1 109 21 21 PHE N N 118.332 0.3 1 110 22 22 GLY H H 8.409 0.020 1 111 22 22 GLY HA2 H 3.728 0.020 2 112 22 22 GLY HA3 H 3.884 0.020 2 113 22 22 GLY CA C 45.309 0.3 1 114 22 22 GLY N N 109.212 0.3 1 115 23 23 ASP H H 8.274 0.020 1 116 23 23 ASP HA H 4.520 0.020 1 117 23 23 ASP C C 176.550 0.3 1 118 23 23 ASP CA C 54.475 0.3 1 119 23 23 ASP CB C 41.316 0.3 1 120 23 23 ASP N N 118.723 0.3 1 121 24 24 SER H H 8.232 0.020 1 122 24 24 SER HA H 4.372 0.020 1 123 24 24 SER C C 175.063 0.3 1 124 24 24 SER CA C 58.684 0.3 1 125 24 24 SER CB C 63.852 0.3 1 126 24 24 SER N N 114.403 0.3 1 127 25 25 VAL H H 8.124 0.020 1 128 25 25 VAL HA H 3.970 0.020 1 129 25 25 VAL HB H 2.001 0.020 1 130 25 25 VAL C C 176.778 0.3 1 131 25 25 VAL CA C 63.077 0.3 1 132 25 25 VAL CB C 32.410 0.3 1 133 25 25 VAL N N 120.599 0.3 1 134 26 26 GLU H H 8.352 0.020 1 135 26 26 GLU HA H 4.105 0.020 1 136 26 26 GLU C C 176.473 0.3 1 137 26 26 GLU CA C 57.352 0.3 1 138 26 26 GLU CB C 29.933 0.3 1 139 26 26 GLU CG C 36.180 0.3 1 140 26 26 GLU N N 121.841 0.3 1 141 27 27 GLU HA H 4.073 0.020 1 142 27 27 GLU HB2 H 1.856 0.020 1 143 27 27 GLU HB3 H 1.856 0.020 1 144 27 27 GLU C C 176.987 0.3 1 145 27 27 GLU CA C 57.331 0.3 1 146 27 27 GLU CB C 30.079 0.3 1 147 28 28 ALA H H 8.163 0.020 1 148 28 28 ALA HA H 4.192 0.020 1 149 28 28 ALA C C 178.705 0.3 1 150 28 28 ALA CA C 52.949 0.3 1 151 28 28 ALA CB C 18.723 0.3 1 152 28 28 ALA N N 122.840 0.3 1 153 29 29 LEU H H 8.102 0.020 1 154 29 29 LEU HA H 4.198 0.020 1 155 29 29 LEU HB2 H 1.455 0.020 2 156 29 29 LEU HB3 H 1.527 0.020 2 157 29 29 LEU C C 178.215 0.3 1 158 29 29 LEU CA C 55.806 0.3 1 159 29 29 LEU CB C 42.072 0.3 1 160 29 29 LEU CD1 C 23.411 0.3 1 161 29 29 LEU N N 119.286 0.3 1 162 30 30 SER H H 8.119 0.020 1 163 30 30 SER HA H 4.225 0.020 1 164 30 30 SER C C 175.434 0.3 1 165 30 30 SER CA C 59.337 0.3 1 166 30 30 SER CB C 63.654 0.3 1 167 30 30 SER N N 114.481 0.3 1 168 31 31 GLU H H 8.272 0.020 1 169 31 31 GLU HA H 4.092 0.020 1 170 31 31 GLU CA C 57.398 0.3 1 171 31 31 GLU CB C 29.823 0.3 1 172 31 31 GLU N N 120.988 0.3 1 173 32 32 ALA H H 8.071 0.020 1 174 32 32 ALA HA H 4.154 0.020 1 175 32 32 ALA C C 178.667 0.3 1 176 32 32 ALA CA C 53.353 0.3 1 177 32 32 ALA CB C 18.733 0.3 1 178 32 32 ALA N N 122.076 0.3 1 179 33 33 ARG H H 8.065 0.020 1 180 33 33 ARG HA H 4.130 0.020 1 181 33 33 ARG HB2 H 1.658 0.020 2 182 33 33 ARG HB3 H 1.753 0.020 2 183 33 33 ARG C C 177.193 0.3 1 184 33 33 ARG CA C 57.081 0.3 1 185 33 33 ARG CB C 30.822 0.3 1 186 33 33 ARG CG C 26.964 0.3 1 187 33 33 ARG CD C 43.256 0.3 1 188 33 33 ARG N N 117.499 0.3 1 189 34 34 GLU H H 8.205 0.020 1 190 34 34 GLU HA H 4.069 0.020 1 191 34 34 GLU CA C 57.309 0.3 1 192 34 34 GLU CB C 29.832 0.3 1 193 34 34 GLU N N 119.026 0.3 1 194 35 35 HIS H H 8.273 0.020 1 195 35 35 HIS HA H 4.508 0.020 1 196 35 35 HIS CA C 56.123 0.3 1 197 35 35 HIS CB C 30.097 0.3 1 198 35 35 HIS N N 120.375 0.3 1 199 36 36 LEU H H 8.001 0.020 1 200 36 36 LEU HA H 4.194 0.020 1 201 36 36 LEU CA C 55.417 0.3 1 202 36 36 LEU CB C 42.072 0.3 1 203 36 36 LEU N N 121.216 0.3 1 204 37 37 LYS H H 8.242 0.020 1 205 37 37 LYS HA H 4.175 0.020 1 206 37 37 LYS C C 176.622 0.3 1 207 37 37 LYS CA C 56.766 0.3 1 208 37 37 LYS CB C 32.714 0.3 1 209 37 37 LYS N N 120.209 0.3 1 210 38 38 ASN H H 8.350 0.020 1 211 38 38 ASN HA H 4.601 0.020 1 212 38 38 ASN C C 175.981 0.3 1 213 38 38 ASN CA C 53.391 0.3 1 214 38 38 ASN CB C 38.887 0.3 1 215 38 38 ASN N N 117.714 0.3 1 216 39 39 GLY H H 8.237 0.020 1 217 39 39 GLY C C 174.629 0.3 1 218 39 39 GLY CA C 45.413 0.3 1 219 39 39 GLY N N 107.416 0.3 1 220 40 40 THR H H 8.022 0.020 1 221 40 40 THR HA H 4.177 0.020 1 222 40 40 THR HB H 4.221 0.020 1 223 40 40 THR C C 174.881 0.3 1 224 40 40 THR CA C 61.915 0.3 1 225 40 40 THR CB C 69.691 0.3 1 226 40 40 THR N N 111.515 0.3 1 227 41 41 HIS H H 8.349 0.020 1 228 41 41 HIS HA H 4.518 0.020 1 229 41 41 HIS HB2 H 3.021 0.020 2 230 41 41 HIS HB3 H 3.083 0.020 2 231 41 41 HIS C C 175.814 0.3 1 232 41 41 HIS CA C 56.339 0.3 1 233 41 41 HIS CB C 30.104 0.3 1 234 41 41 HIS N N 119.624 0.3 1 235 42 42 GLY H H 8.327 0.020 1 236 42 42 GLY C C 174.102 0.3 1 237 42 42 GLY CA C 45.211 0.3 1 238 42 42 GLY N N 108.444 0.3 1 239 43 43 ARG H H 8.134 0.020 1 240 43 43 ARG HA H 4.255 0.020 1 241 43 43 ARG CA C 55.629 0.3 1 242 43 43 ARG CB C 31.004 0.3 1 243 43 43 ARG N N 119.050 0.3 1 244 44 44 ALA H H 8.297 0.020 1 245 44 44 ALA CA C 50.509 0.3 1 246 44 44 ALA CB C 18.038 0.3 1 247 44 44 ALA N N 125.388 0.3 1 248 45 45 PRO HA H 4.339 0.020 1 249 45 45 PRO HB2 H 1.742 0.020 2 250 45 45 PRO HB3 H 2.157 0.020 2 251 45 45 PRO C C 176.890 0.3 1 252 45 45 PRO CA C 62.750 0.3 1 253 45 45 PRO CB C 31.878 0.3 1 254 46 46 ILE H H 8.133 0.020 1 255 46 46 ILE HA H 4.007 0.020 1 256 46 46 ILE HB H 1.695 0.020 1 257 46 46 ILE C C 176.258 0.3 1 258 46 46 ILE CA C 61.254 0.3 1 259 46 46 ILE CB C 38.802 0.3 1 260 46 46 ILE N N 119.681 0.3 1 261 47 47 LYS H H 8.310 0.020 1 262 47 47 LYS HA H 4.284 0.020 1 263 47 47 LYS C C 176.284 0.3 1 264 47 47 LYS CA C 56.172 0.3 1 265 47 47 LYS CB C 33.140 0.3 1 266 47 47 LYS N N 124.704 0.3 1 267 48 48 VAL H H 8.236 0.020 1 268 48 48 VAL HA H 3.989 0.020 1 269 48 48 VAL HB H 1.939 0.020 1 270 48 48 VAL C C 176.330 0.3 1 271 48 48 VAL CA C 62.352 0.3 1 272 48 48 VAL CB C 32.601 0.3 1 273 48 48 VAL N N 121.756 0.3 1 274 49 49 GLU H H 8.553 0.020 1 275 49 49 GLU HA H 4.238 0.020 1 276 49 49 GLU HB2 H 1.826 0.020 2 277 49 49 GLU HB3 H 1.949 0.020 2 278 49 49 GLU C C 176.588 0.3 1 279 49 49 GLU CA C 56.668 0.3 1 280 49 49 GLU CB C 30.198 0.3 1 281 49 49 GLU N N 123.820 0.3 1 282 50 50 SER H H 8.359 0.020 1 283 50 50 SER HA H 4.327 0.020 1 284 50 50 SER HB2 H 3.748 0.020 2 285 50 50 SER HB3 H 3.795 0.020 2 286 50 50 SER C C 174.939 0.3 1 287 50 50 SER CA C 58.517 0.3 1 288 50 50 SER CB C 63.873 0.3 1 289 50 50 SER N N 115.641 0.3 1 290 51 51 GLN H H 8.446 0.020 1 291 51 51 GLN HA H 4.234 0.020 1 292 51 51 GLN HB2 H 1.826 0.020 2 293 51 51 GLN HB3 H 2.022 0.020 2 294 51 51 GLN C C 176.199 0.3 1 295 51 51 GLN CA C 55.884 0.3 1 296 51 51 GLN CB C 29.154 0.3 1 297 51 51 GLN N N 120.776 0.3 1 298 52 52 GLU H H 8.310 0.020 1 299 52 52 GLU HA H 4.091 0.020 1 300 52 52 GLU C C 176.560 0.3 1 301 52 52 GLU CA C 56.868 0.3 1 302 52 52 GLU CB C 29.976 0.3 1 303 52 52 GLU N N 119.795 0.3 1 304 53 53 HIS H H 8.294 0.020 1 305 53 53 HIS HA H 4.522 0.020 1 306 53 53 HIS HB2 H 2.982 0.020 2 307 53 53 HIS HB3 H 3.069 0.020 2 308 53 53 HIS C C 175.080 0.3 1 309 53 53 HIS CA C 55.731 0.3 1 310 53 53 HIS CB C 29.837 0.3 1 311 53 53 HIS N N 118.434 0.3 1 312 54 54 LYS H H 8.122 0.020 1 313 54 54 LYS HA H 4.184 0.020 1 314 54 54 LYS C C 176.284 0.3 1 315 54 54 LYS CA C 56.195 0.3 1 316 54 54 LYS CB C 32.997 0.3 1 317 54 54 LYS N N 120.955 0.3 1 318 55 55 LEU H H 8.216 0.020 1 319 55 55 LEU HA H 4.263 0.020 1 320 55 55 LEU C C 177.107 0.3 1 321 55 55 LEU CA C 54.898 0.3 1 322 55 55 LEU CB C 42.246 0.3 1 323 55 55 LEU N N 122.037 0.3 1 324 56 56 VAL H H 8.087 0.020 1 325 56 56 VAL HA H 4.306 0.020 1 326 56 56 VAL CA C 59.783 0.3 1 327 56 56 VAL CB C 32.579 0.3 1 328 56 56 VAL N N 122.006 0.3 1 329 57 57 PRO HA H 4.285 0.020 1 330 57 57 PRO HB2 H 1.752 0.020 2 331 57 57 PRO HB3 H 2.178 0.020 2 332 57 57 PRO C C 176.908 0.3 1 333 57 57 PRO CA C 63.011 0.3 1 334 57 57 PRO CB C 31.891 0.3 1 335 58 58 ARG H H 8.370 0.020 1 336 58 58 ARG HA H 4.179 0.020 1 337 58 58 ARG C C 176.908 0.3 1 338 58 58 ARG CA C 56.493 0.3 1 339 58 58 ARG CB C 30.987 0.3 1 340 58 58 ARG N N 120.225 0.3 1 341 59 59 GLY H H 8.350 0.020 1 342 59 59 GLY C C 172.913 0.3 1 343 59 59 GLY CA C 45.088 0.3 1 344 59 59 GLY N N 108.972 0.3 1 345 60 60 SER H H 7.540 0.020 1 346 60 60 SER HA H 4.314 0.020 1 347 60 60 SER C C 172.818 0.3 1 348 60 60 SER CA C 57.729 0.3 1 349 60 60 SER CB C 64.868 0.3 1 350 60 60 SER N N 111.882 0.3 1 351 61 61 PHE H H 8.456 0.020 1 352 61 61 PHE HA H 4.689 0.020 1 353 61 61 PHE C C 173.767 0.3 1 354 61 61 PHE CA C 56.495 0.3 1 355 61 61 PHE CB C 42.010 0.3 1 356 61 61 PHE N N 118.175 0.3 1 357 62 62 GLN H H 8.213 0.020 1 358 62 62 GLN HA H 4.852 0.020 1 359 62 62 GLN C C 175.570 0.3 1 360 62 62 GLN CA C 55.567 0.3 1 361 62 62 GLN CB C 30.278 0.3 1 362 62 62 GLN N N 117.634 0.3 1 363 63 63 TYR H H 9.200 0.020 1 364 63 63 TYR HA H 5.289 0.020 1 365 63 63 TYR HB2 H 2.750 0.020 2 366 63 63 TYR HB3 H 3.280 0.020 2 367 63 63 TYR C C 175.178 0.3 1 368 63 63 TYR CA C 57.459 0.3 1 369 63 63 TYR CB C 42.943 0.3 1 370 63 63 TYR N N 124.009 0.3 1 371 64 64 LYS H H 9.005 0.020 1 372 64 64 LYS HA H 5.139 0.020 1 373 64 64 LYS HB2 H 1.804 0.020 2 374 64 64 LYS HB3 H 1.911 0.020 2 375 64 64 LYS C C 173.017 0.3 1 376 64 64 LYS CA C 55.162 0.3 1 377 64 64 LYS CB C 36.030 0.3 1 378 64 64 LYS N N 120.928 0.3 1 379 65 65 LEU H H 8.536 0.020 1 380 65 65 LEU HA H 4.833 0.020 1 381 65 65 LEU HB2 H -1.252 0.020 1 382 65 65 LEU C C 174.744 0.3 1 383 65 65 LEU CA C 52.736 0.3 1 384 65 65 LEU CB C 42.607 0.3 1 385 65 65 LEU N N 124.984 0.3 1 386 66 66 ILE H H 8.972 0.020 1 387 66 66 ILE HA H 4.239 0.020 1 388 66 66 ILE HB H 1.835 0.020 1 389 66 66 ILE C C 174.878 0.3 1 390 66 66 ILE CA C 60.292 0.3 1 391 66 66 ILE CB C 37.888 0.3 1 392 66 66 ILE N N 124.804 0.3 1 393 67 67 LEU H H 8.615 0.020 1 394 67 67 LEU HA H 4.414 0.020 1 395 67 67 LEU HB2 H 1.225 0.020 2 396 67 67 LEU HB3 H 1.339 0.020 2 397 67 67 LEU C C 175.117 0.3 1 398 67 67 LEU CA C 54.551 0.3 1 399 67 67 LEU CB C 42.254 0.3 1 400 67 67 LEU N N 124.080 0.3 1 401 68 68 ASN H H 8.737 0.020 1 402 68 68 ASN HA H 5.085 0.020 1 403 68 68 ASN HB2 H 2.410 0.020 2 404 68 68 ASN HB3 H 2.623 0.020 2 405 68 68 ASN C C 175.304 0.3 1 406 68 68 ASN CA C 51.318 0.3 1 407 68 68 ASN CB C 38.127 0.3 1 408 68 68 ASN N N 123.763 0.3 1 409 69 69 GLY H H 7.848 0.020 1 410 69 69 GLY HA2 H 3.917 0.020 2 411 69 69 GLY HA3 H 4.323 0.020 2 412 69 69 GLY C C 173.611 0.3 1 413 69 69 GLY CA C 44.716 0.3 1 414 69 69 GLY N N 108.158 0.3 1 415 70 70 LYS H H 9.163 0.020 1 416 70 70 LYS HA H 3.879 0.020 1 417 70 70 LYS C C 178.730 0.3 1 418 70 70 LYS CA C 59.296 0.3 1 419 70 70 LYS CB C 32.465 0.3 1 420 70 70 LYS N N 119.725 0.3 1 421 71 71 THR H H 8.741 0.020 1 422 71 71 THR HA H 4.264 0.020 1 423 71 71 THR HB H 4.148 0.020 1 424 71 71 THR C C 174.063 0.3 1 425 71 71 THR CA C 62.051 0.3 1 426 71 71 THR CB C 69.729 0.3 1 427 71 71 THR N N 107.376 0.3 1 428 72 72 LEU H H 7.271 0.020 1 429 72 72 LEU HA H 4.367 0.020 1 430 72 72 LEU HB2 H 1.322 0.020 2 431 72 72 LEU HB3 H 1.396 0.020 2 432 72 72 LEU C C 173.693 0.3 1 433 72 72 LEU CA C 54.983 0.3 1 434 72 72 LEU CB C 43.610 0.3 1 435 72 72 LEU N N 123.281 0.3 1 436 73 73 LYS H H 8.087 0.020 1 437 73 73 LYS HA H 5.006 0.020 1 438 73 73 LYS HB2 H 1.627 0.020 2 439 73 73 LYS HB3 H 1.766 0.020 2 440 73 73 LYS C C 176.492 0.3 1 441 73 73 LYS CA C 53.942 0.3 1 442 73 73 LYS CB C 34.650 0.3 1 443 73 73 LYS N N 122.481 0.3 1 444 74 74 GLY H H 8.333 0.020 1 445 74 74 GLY HA2 H 4.062 0.020 2 446 74 74 GLY HA3 H 4.183 0.020 2 447 74 74 GLY C C 171.439 0.3 1 448 74 74 GLY CA C 45.227 0.3 1 449 74 74 GLY N N 108.162 0.3 1 450 75 75 GLU H H 8.336 0.020 1 451 75 75 GLU HA H 5.495 0.020 1 452 75 75 GLU HB2 H 1.814 0.020 2 453 75 75 GLU HB3 H 1.908 0.020 2 454 75 75 GLU C C 175.487 0.3 1 455 75 75 GLU CA C 54.825 0.3 1 456 75 75 GLU CB C 33.832 0.3 1 457 75 75 GLU N N 117.255 0.3 1 458 76 76 THR H H 8.658 0.020 1 459 76 76 THR HA H 4.620 0.020 1 460 76 76 THR HB H 3.755 0.020 1 461 76 76 THR C C 172.188 0.3 1 462 76 76 THR CA C 60.772 0.3 1 463 76 76 THR CB C 69.381 0.3 1 464 76 76 THR N N 114.390 0.3 1 465 77 77 THR H H 7.989 0.020 1 466 77 77 THR HA H 5.742 0.020 1 467 77 77 THR HB H 4.227 0.020 1 468 77 77 THR C C 174.332 0.3 1 469 77 77 THR CA C 59.773 0.3 1 470 77 77 THR CB C 73.422 0.3 1 471 77 77 THR N N 110.350 0.3 1 472 78 78 THR H H 8.913 0.020 1 473 78 78 THR HA H 4.572 0.020 1 474 78 78 THR HB H 3.769 0.020 1 475 78 78 THR C C 171.270 0.3 1 476 78 78 THR CA C 62.430 0.3 1 477 78 78 THR CB C 69.939 0.3 1 478 78 78 THR N N 113.304 0.3 1 479 79 79 GLU H H 7.963 0.020 1 480 79 79 GLU HA H 5.457 0.020 1 481 79 79 GLU HB2 H 1.795 0.020 2 482 79 79 GLU HB3 H 1.861 0.020 2 483 79 79 GLU C C 176.406 0.3 1 484 79 79 GLU CA C 54.725 0.3 1 485 79 79 GLU CB C 30.926 0.3 1 486 79 79 GLU N N 123.283 0.3 1 487 80 80 ALA H H 9.344 0.020 1 488 80 80 ALA HA H 4.894 0.020 1 489 80 80 ALA C C 177.445 0.3 1 490 80 80 ALA CA C 51.002 0.3 1 491 80 80 ALA CB C 23.459 0.3 1 492 80 80 ALA N N 123.868 0.3 1 493 81 81 VAL H H 8.367 0.020 1 494 81 81 VAL HA H 4.304 0.020 1 495 81 81 VAL HB H 2.177 0.020 1 496 81 81 VAL C C 175.001 0.3 1 497 81 81 VAL CA C 63.117 0.3 1 498 81 81 VAL CB C 31.887 0.3 1 499 81 81 VAL N N 112.594 0.3 1 500 82 82 ASP H H 7.321 0.020 1 501 82 82 ASP HA H 4.681 0.020 1 502 82 82 ASP C C 174.995 0.3 1 503 82 82 ASP CA C 52.644 0.3 1 504 82 82 ASP CB C 41.936 0.3 1 505 82 82 ASP N N 112.906 0.3 1 506 83 83 ALA H H 8.228 0.020 1 507 83 83 ALA HA H 3.360 0.020 1 508 83 83 ALA C C 179.434 0.3 1 509 83 83 ALA CA C 54.443 0.3 1 510 83 83 ALA CB C 17.352 0.3 1 511 83 83 ALA N N 119.720 0.3 1 512 84 84 ALA H H 8.016 0.020 1 513 84 84 ALA HA H 3.855 0.020 1 514 84 84 ALA C C 181.099 0.3 1 515 84 84 ALA CA C 54.678 0.3 1 516 84 84 ALA CB C 17.829 0.3 1 517 84 84 ALA N N 118.964 0.3 1 518 85 85 THR H H 8.228 0.020 1 519 85 85 THR HA H 3.608 0.020 1 520 85 85 THR HB H 3.946 0.020 1 521 85 85 THR C C 176.351 0.3 1 522 85 85 THR CA C 66.701 0.3 1 523 85 85 THR CB C 68.032 0.3 1 524 85 85 THR N N 114.994 0.3 1 525 86 86 ALA H H 6.986 0.020 1 526 86 86 ALA HA H 3.008 0.020 1 527 86 86 ALA C C 177.351 0.3 1 528 86 86 ALA CA C 54.786 0.3 1 529 86 86 ALA CB C 17.274 0.3 1 530 86 86 ALA N N 122.124 0.3 1 531 87 87 GLU H H 8.345 0.020 1 532 87 87 GLU HA H 2.551 0.020 1 533 87 87 GLU HB2 H 1.751 0.020 2 534 87 87 GLU HB3 H 1.854 0.020 2 535 87 87 GLU C C 177.516 0.3 1 536 87 87 GLU CA C 59.551 0.3 1 537 87 87 GLU CB C 29.257 0.3 1 538 87 87 GLU N N 115.218 0.3 1 539 88 88 LYS H H 6.904 0.020 1 540 88 88 LYS HA H 3.633 0.020 1 541 88 88 LYS HB2 H 1.699 0.020 2 542 88 88 LYS HB3 H 1.745 0.020 2 543 88 88 LYS C C 180.197 0.3 1 544 88 88 LYS CA C 59.638 0.3 1 545 88 88 LYS CB C 32.144 0.3 1 546 88 88 LYS N N 115.105 0.3 1 547 89 89 VAL H H 7.178 0.020 1 548 89 89 VAL HA H 3.520 0.020 1 549 89 89 VAL HB H 1.658 0.020 1 550 89 89 VAL C C 179.990 0.3 1 551 89 89 VAL CA C 65.843 0.3 1 552 89 89 VAL CB C 31.714 0.3 1 553 89 89 VAL N N 119.005 0.3 1 554 90 90 PHE H H 8.385 0.020 1 555 90 90 PHE HA H 4.652 0.020 1 556 90 90 PHE HB2 H 2.750 0.020 2 557 90 90 PHE HB3 H 3.229 0.020 2 558 90 90 PHE C C 178.520 0.3 1 559 90 90 PHE CA C 56.381 0.3 1 560 90 90 PHE CB C 37.366 0.3 1 561 90 90 PHE N N 119.144 0.3 1 562 91 91 LYS H H 9.096 0.020 1 563 91 91 LYS HA H 4.084 0.020 1 564 91 91 LYS HB2 H 1.474 0.020 2 565 91 91 LYS HB3 H 1.586 0.020 2 566 91 91 LYS C C 179.770 0.3 1 567 91 91 LYS CA C 59.705 0.3 1 568 91 91 LYS CB C 31.598 0.3 1 569 91 91 LYS N N 121.372 0.3 1 570 92 92 GLN H H 7.369 0.020 1 571 92 92 GLN HA H 3.968 0.020 1 572 92 92 GLN C C 177.217 0.3 1 573 92 92 GLN CA C 58.635 0.3 1 574 92 92 GLN CB C 28.134 0.3 1 575 92 92 GLN N N 118.177 0.3 1 576 93 93 TYR H H 8.175 0.020 1 577 93 93 TYR HA H 4.188 0.020 1 578 93 93 TYR C C 179.213 0.3 1 579 93 93 TYR CA C 61.778 0.3 1 580 93 93 TYR CB C 38.579 0.3 1 581 93 93 TYR N N 119.460 0.3 1 582 94 94 ALA H H 9.121 0.020 1 583 94 94 ALA HA H 3.716 0.020 1 584 94 94 ALA C C 179.471 0.3 1 585 94 94 ALA CA C 56.136 0.3 1 586 94 94 ALA CB C 17.907 0.3 1 587 94 94 ALA N N 120.996 0.3 1 588 95 95 ASN H H 8.167 0.020 1 589 95 95 ASN HA H 4.358 0.020 1 590 95 95 ASN C C 179.545 0.3 1 591 95 95 ASN CA C 57.087 0.3 1 592 95 95 ASN CB C 38.857 0.3 1 593 95 95 ASN N N 116.059 0.3 1 594 96 96 ASP H H 8.865 0.020 1 595 96 96 ASP HA H 4.278 0.020 1 596 96 96 ASP HB2 H 2.449 0.020 2 597 96 96 ASP HB3 H 2.615 0.020 2 598 96 96 ASP C C 177.300 0.3 1 599 96 96 ASP CA C 56.857 0.3 1 600 96 96 ASP CB C 39.980 0.3 1 601 96 96 ASP N N 119.867 0.3 1 602 97 97 ASN H H 7.314 0.020 1 603 97 97 ASN HA H 4.523 0.020 1 604 97 97 ASN HB2 H 2.006 0.020 2 605 97 97 ASN HB3 H 2.586 0.020 2 606 97 97 ASN C C 174.192 0.3 1 607 97 97 ASN CA C 53.636 0.3 1 608 97 97 ASN CB C 40.003 0.3 1 609 97 97 ASN N N 113.729 0.3 1 610 98 98 GLY H H 7.712 0.020 1 611 98 98 GLY C C 174.388 0.3 1 612 98 98 GLY CA C 46.783 0.3 1 613 98 98 GLY N N 106.737 0.3 1 614 99 99 VAL H H 8.058 0.020 1 615 99 99 VAL HA H 4.070 0.020 1 616 99 99 VAL HB H 1.648 0.020 1 617 99 99 VAL C C 173.992 0.3 1 618 99 99 VAL CA C 61.865 0.3 1 619 99 99 VAL CB C 33.233 0.3 1 620 99 99 VAL N N 119.234 0.3 1 621 100 100 ASP H H 8.453 0.020 1 622 100 100 ASP HA H 4.826 0.020 1 623 100 100 ASP HB2 H 2.506 0.020 2 624 100 100 ASP HB3 H 2.609 0.020 2 625 100 100 ASP C C 174.902 0.3 1 626 100 100 ASP CA C 52.342 0.3 1 627 100 100 ASP CB C 43.143 0.3 1 628 100 100 ASP N N 126.070 0.3 1 629 101 101 GLY H H 7.899 0.020 1 630 101 101 GLY HA2 H 3.651 0.020 2 631 101 101 GLY HA3 H 4.136 0.020 2 632 101 101 GLY C C 171.954 0.3 1 633 101 101 GLY CA C 45.411 0.3 1 634 101 101 GLY N N 106.265 0.3 1 635 102 102 GLU H H 7.995 0.020 1 636 102 102 GLU HA H 4.624 0.020 1 637 102 102 GLU HB2 H 1.846 0.020 2 638 102 102 GLU HB3 H 1.960 0.020 2 639 102 102 GLU C C 177.111 0.3 1 640 102 102 GLU CA C 55.410 0.3 1 641 102 102 GLU CB C 31.495 0.3 1 642 102 102 GLU N N 118.890 0.3 1 643 103 103 TRP H H 9.283 0.020 1 644 103 103 TRP HA H 5.290 0.020 1 645 103 103 TRP HB2 H 3.059 0.020 2 646 103 103 TRP HB3 H 3.274 0.020 2 647 103 103 TRP C C 177.247 0.3 1 648 103 103 TRP CA C 57.717 0.3 1 649 103 103 TRP CB C 30.463 0.3 1 650 103 103 TRP N N 126.487 0.3 1 651 104 104 THR H H 9.188 0.020 1 652 104 104 THR HA H 4.756 0.020 1 653 104 104 THR HB H 4.133 0.020 1 654 104 104 THR C C 172.888 0.3 1 655 104 104 THR CA C 60.415 0.3 1 656 104 104 THR CB C 72.296 0.3 1 657 104 104 THR N N 113.071 0.3 1 658 105 105 TYR H H 8.507 0.020 1 659 105 105 TYR HA H 4.895 0.020 1 660 105 105 TYR HB2 H 2.386 0.020 2 661 105 105 TYR HB3 H 2.765 0.020 2 662 105 105 TYR C C 173.385 0.3 1 663 105 105 TYR CA C 56.803 0.3 1 664 105 105 TYR CB C 41.507 0.3 1 665 105 105 TYR N N 119.105 0.3 1 666 106 106 ASP H H 7.601 0.020 1 667 106 106 ASP HA H 4.504 0.020 1 668 106 106 ASP HB2 H 2.157 0.020 2 669 106 106 ASP HB3 H 2.438 0.020 2 670 106 106 ASP C C 174.637 0.3 1 671 106 106 ASP CA C 51.703 0.3 1 672 106 106 ASP CB C 43.015 0.3 1 673 106 106 ASP N N 126.927 0.3 1 674 107 107 ASP H H 8.435 0.020 1 675 107 107 ASP HA H 3.961 0.020 1 676 107 107 ASP HB2 H 2.407 0.020 2 677 107 107 ASP HB3 H 2.657 0.020 2 678 107 107 ASP C C 178.327 0.3 1 679 107 107 ASP CA C 56.249 0.3 1 680 107 107 ASP CB C 41.839 0.3 1 681 107 107 ASP N N 123.273 0.3 1 682 108 108 ALA H H 8.203 0.020 1 683 108 108 ALA HA H 3.977 0.020 1 684 108 108 ALA C C 179.878 0.3 1 685 108 108 ALA CA C 54.882 0.3 1 686 108 108 ALA CB C 18.279 0.3 1 687 108 108 ALA N N 118.527 0.3 1 688 109 109 THR H H 6.876 0.020 1 689 109 109 THR HA H 4.305 0.020 1 690 109 109 THR HB H 4.280 0.020 1 691 109 109 THR C C 175.245 0.3 1 692 109 109 THR CA C 60.210 0.3 1 693 109 109 THR CB C 70.199 0.3 1 694 109 109 THR N N 101.590 0.3 1 695 110 110 LYS H H 7.738 0.020 1 696 110 110 LYS HA H 3.991 0.020 1 697 110 110 LYS C C 175.033 0.3 1 698 110 110 LYS CA C 57.342 0.3 1 699 110 110 LYS CB C 30.182 0.3 1 700 110 110 LYS N N 122.207 0.3 1 701 111 111 THR H H 7.265 0.020 1 702 111 111 THR HA H 5.429 0.020 1 703 111 111 THR HB H 3.655 0.020 1 704 111 111 THR C C 175.014 0.3 1 705 111 111 THR CA C 62.096 0.3 1 706 111 111 THR CB C 71.941 0.3 1 707 111 111 THR N N 109.389 0.3 1 708 112 112 PHE H H 10.348 0.020 1 709 112 112 PHE HA H 5.608 0.020 1 710 112 112 PHE C C 174.788 0.3 1 711 112 112 PHE CA C 57.017 0.3 1 712 112 112 PHE CB C 42.675 0.3 1 713 112 112 PHE N N 129.436 0.3 1 714 113 113 THR H H 9.005 0.020 1 715 113 113 THR HA H 5.095 0.020 1 716 113 113 THR HB H 3.728 0.020 1 717 113 113 THR C C 172.831 0.3 1 718 113 113 THR CA C 61.407 0.3 1 719 113 113 THR CB C 71.010 0.3 1 720 113 113 THR N N 115.243 0.3 1 721 114 114 VAL H H 8.174 0.020 1 722 114 114 VAL HA H 4.386 0.020 1 723 114 114 VAL HB H -0.315 0.020 1 724 114 114 VAL C C 173.480 0.3 1 725 114 114 VAL CA C 57.922 0.3 1 726 114 114 VAL CB C 32.482 0.3 1 727 114 114 VAL CG1 C 20.551 0.3 1 728 114 114 VAL CG2 C 19.621 0.3 1 729 114 114 VAL N N 121.796 0.3 1 730 115 115 THR H H 8.283 0.020 1 731 115 115 THR HA H 4.607 0.020 1 732 115 115 THR HB H 3.744 0.020 1 733 115 115 THR C C 174.743 0.3 1 734 115 115 THR CA C 60.684 0.3 1 735 115 115 THR CB C 70.456 0.3 1 736 115 115 THR N N 121.772 0.3 1 737 116 116 GLU H H 8.121 0.020 1 738 116 116 GLU HA H 4.436 0.020 1 739 116 116 GLU HB2 H 1.923 0.020 2 740 116 116 GLU HB3 H 2.048 0.020 2 741 116 116 GLU C C 175.833 0.3 1 742 116 116 GLU CA C 56.247 0.3 1 743 116 116 GLU CB C 31.443 0.3 1 744 116 116 GLU N N 127.190 0.3 1 745 117 117 SER H H 8.706 0.020 1 746 117 117 SER HA H 4.352 0.020 1 747 117 117 SER C C 175.155 0.3 1 748 117 117 SER CA C 58.796 0.3 1 749 117 117 SER CB C 63.997 0.3 1 750 117 117 SER N N 118.102 0.3 1 751 118 118 GLY H H 8.546 0.020 1 752 118 118 GLY C C 174.080 0.3 1 753 118 118 GLY CA C 45.112 0.3 1 754 118 118 GLY N N 109.381 0.3 1 755 119 119 HIS H H 8.127 0.020 1 756 119 119 HIS HA H 4.447 0.020 1 757 119 119 HIS C C 176.289 0.3 1 758 119 119 HIS CA C 56.376 0.3 1 759 119 119 HIS CB C 30.270 0.3 1 760 119 119 HIS N N 117.086 0.3 1 stop_ save_