data_25367 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical Shifts of the designed Armadillo Repeat Protein YMRRA ; _BMRB_accession_number 25367 _BMRB_flat_file_name bmr25367.str _Entry_type original _Submission_date 2014-11-26 _Accession_date 2014-11-26 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone chemical shifts for the designed Armadillo Repeat Protein (binder to neurotensin)' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ewald Christina . . 2 Zerbe Oliver . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 160 "13C chemical shifts" 445 "15N chemical shifts" 160 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-06-04 original BMRB . stop_ _Original_release_date 2015-06-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; A combined NMR and computational approach to investigate Peptide binding to a designed armadillo repeat protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25816772 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ewald Christina . . 2 Christen Martin T. . 3 Watson Randall P. . 4 Mihajlovic Maja . . 5 Zhou Ting . . 6 Honegger Annemarie . . 7 Plueckthun Andreas . . 8 Caflisch Amedeo . . 9 Zerbe Oliver . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 427 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1916 _Page_last 1933 _Year 2015 _Details . loop_ _Keyword 'Armadillo Reapat Protein' 'Protein Engeneering' 'neurotensin binder' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name YMRRA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label YMRRA $YMRRA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_YMRRA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common YMRRA _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'Binding of neurotensin peptide' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 211 _Mol_residue_sequence ; MRGSHHHHHHGSELPQMTQQ LNSDDMQEQLSATVKFRQIL SRDGNEQIQAVIDAGALPAL VQLLSSPNEQILQEALWALS NIASGGNEQTQAVIDAGALP ALVQLLSSPNEQILQYALIA LNNIAFAGNEQTQAVIDAGA LPALVQLLSSPNGQILQETL WALTNIAMEGNEQKQAVKEA GALEKLEQLQSHENEKIQKE AQEALEKLQSH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ARG 3 GLY 4 SER 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 GLY 12 SER 13 GLU 14 LEU 15 PRO 16 GLN 17 MET 18 THR 19 GLN 20 GLN 21 LEU 22 ASN 23 SER 24 ASP 25 ASP 26 MET 27 GLN 28 GLU 29 GLN 30 LEU 31 SER 32 ALA 33 THR 34 VAL 35 LYS 36 PHE 37 ARG 38 GLN 39 ILE 40 LEU 41 SER 42 ARG 43 ASP 44 GLY 45 ASN 46 GLU 47 GLN 48 ILE 49 GLN 50 ALA 51 VAL 52 ILE 53 ASP 54 ALA 55 GLY 56 ALA 57 LEU 58 PRO 59 ALA 60 LEU 61 VAL 62 GLN 63 LEU 64 LEU 65 SER 66 SER 67 PRO 68 ASN 69 GLU 70 GLN 71 ILE 72 LEU 73 GLN 74 GLU 75 ALA 76 LEU 77 TRP 78 ALA 79 LEU 80 SER 81 ASN 82 ILE 83 ALA 84 SER 85 GLY 86 GLY 87 ASN 88 GLU 89 GLN 90 THR 91 GLN 92 ALA 93 VAL 94 ILE 95 ASP 96 ALA 97 GLY 98 ALA 99 LEU 100 PRO 101 ALA 102 LEU 103 VAL 104 GLN 105 LEU 106 LEU 107 SER 108 SER 109 PRO 110 ASN 111 GLU 112 GLN 113 ILE 114 LEU 115 GLN 116 TYR 117 ALA 118 LEU 119 ILE 120 ALA 121 LEU 122 ASN 123 ASN 124 ILE 125 ALA 126 PHE 127 ALA 128 GLY 129 ASN 130 GLU 131 GLN 132 THR 133 GLN 134 ALA 135 VAL 136 ILE 137 ASP 138 ALA 139 GLY 140 ALA 141 LEU 142 PRO 143 ALA 144 LEU 145 VAL 146 GLN 147 LEU 148 LEU 149 SER 150 SER 151 PRO 152 ASN 153 GLY 154 GLN 155 ILE 156 LEU 157 GLN 158 GLU 159 THR 160 LEU 161 TRP 162 ALA 163 LEU 164 THR 165 ASN 166 ILE 167 ALA 168 MET 169 GLU 170 GLY 171 ASN 172 GLU 173 GLN 174 LYS 175 GLN 176 ALA 177 VAL 178 LYS 179 GLU 180 ALA 181 GLY 182 ALA 183 LEU 184 GLU 185 LYS 186 LEU 187 GLU 188 GLN 189 LEU 190 GLN 191 SER 192 HIS 193 GLU 194 ASN 195 GLU 196 LYS 197 ILE 198 GLN 199 LYS 200 GLU 201 ALA 202 GLN 203 GLU 204 ALA 205 LEU 206 GLU 207 LYS 208 LEU 209 GLN 210 SER 211 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 $YMRRA . . . . . . 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 $YMRRA 'recombinant technology' . Escherichia coli 'M15 (rep4)' pPANK_YMRRA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'buffer required!' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $YMRRA 800 uM '[U-13C; U-15N; U-2H]' NaCl 150 mM 'natural abundance' Na-phosphate 50 mM 'natural abundance' glycerol 2 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version 1.9 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 700 _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_HN(CACO)NNH_6 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CACO)NNH _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '2% glycerol and 0.02% NaN3 added' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.425 . M pH 7.4 . pH pressure 1 . atm temperature 307 . 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 protons ppm 4.63 internal indirect . . . 0.25144954 water H 1 protons ppm 4.63 internal direct . . . 1 water N 15 protons ppm 4.63 internal indirect . . . 0.10132900 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 '2H isotope effect: all 13C, 15N.' loop_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' '3D HN(CO)CACB' '3D HN(CA)CO' HN(CACO)NNH 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 YMRRA _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 19 19 GLN H H 8.099 0.020 1 2 19 19 GLN C C 177.165 0.3 1 3 19 19 GLN CA C 56.964 0.3 1 4 19 19 GLN CB C 28.963 0.3 1 5 19 19 GLN N N 119.864 0.3 1 6 20 20 GLN H H 7.910 0.020 1 7 20 20 GLN C C 176.874 0.3 1 8 20 20 GLN CA C 56.224 0.3 1 9 20 20 GLN CB C 31.669 0.3 1 10 20 20 GLN N N 120.242 0.3 1 11 21 21 LEU H H 7.880 0.020 1 12 21 21 LEU C C 177.457 0.3 1 13 21 21 LEU CA C 55.040 0.3 1 14 21 21 LEU CB C 41.109 0.3 1 15 21 21 LEU N N 121.619 0.3 1 16 24 24 ASP H H 8.311 0.020 1 17 24 24 ASP C C 175.672 0.3 1 18 24 24 ASP CA C 54.513 0.3 1 19 24 24 ASP CB C 40.021 0.3 1 20 24 24 ASP N N 122.417 0.3 1 21 25 25 ASP H H 8.435 0.020 1 22 25 25 ASP C C 176.646 0.3 1 23 25 25 ASP CA C 52.870 0.3 1 24 25 25 ASP N N 121.090 0.3 1 25 27 27 GLN H H 8.319 0.020 1 26 27 27 GLN C C 179.512 0.3 1 27 27 27 GLN CB C 26.889 0.3 1 28 27 27 GLN N N 117.561 0.3 1 29 28 28 GLU H H 7.638 0.020 1 30 28 28 GLU C C 178.809 0.3 1 31 28 28 GLU CA C 58.645 0.3 1 32 28 28 GLU CB C 28.688 0.3 1 33 28 28 GLU N N 121.375 0.3 1 34 29 29 GLN H H 8.051 0.020 1 35 29 29 GLN C C 177.279 0.3 1 36 29 29 GLN CA C 58.017 0.3 1 37 29 29 GLN CB C 27.305 0.3 1 38 29 29 GLN N N 118.828 0.3 1 39 30 30 LEU H H 8.365 0.020 1 40 30 30 LEU C C 178.221 0.3 1 41 30 30 LEU CB C 39.981 0.3 1 42 30 30 LEU N N 119.724 0.3 1 43 31 31 SER H H 7.973 0.020 1 44 31 31 SER C C 175.355 0.3 1 45 31 31 SER CA C 61.058 0.3 1 46 31 31 SER CB C 62.060 0.3 1 47 31 31 SER N N 113.189 0.3 1 48 43 43 ASP H H 8.178 0.020 1 49 43 43 ASP C C 176.795 0.3 1 50 43 43 ASP CA C 54.504 0.3 1 51 43 43 ASP CB C 40.685 0.3 1 52 43 43 ASP N N 119.143 0.3 1 53 44 44 GLY H H 8.135 0.020 1 54 44 44 GLY C C 174.589 0.3 1 55 44 44 GLY CA C 45.180 0.3 1 56 44 44 GLY N N 108.645 0.3 1 57 50 50 ALA H H 7.549 0.020 1 58 50 50 ALA C C 177.998 0.3 1 59 50 50 ALA CA C 53.472 0.3 1 60 50 50 ALA CB C 18.273 0.3 1 61 50 50 ALA N N 120.090 0.3 1 62 51 51 VAL H H 7.330 0.020 1 63 51 51 VAL C C 177.347 0.3 1 64 51 51 VAL CA C 66.604 0.3 1 65 51 51 VAL CB C 30.729 0.3 1 66 51 51 VAL N N 118.452 0.3 1 67 52 52 ILE H H 7.832 0.020 1 68 52 52 ILE CA C 61.488 0.3 1 69 52 52 ILE CB C 37.330 0.3 1 70 52 52 ILE N N 120.408 0.3 1 71 53 53 ASP H H 9.136 0.020 1 72 53 53 ASP C C 176.992 0.3 1 73 53 53 ASP CA C 56.692 0.3 1 74 53 53 ASP CB C 39.205 0.3 1 75 53 53 ASP N N 122.884 0.3 1 76 55 55 GLY H H 8.022 0.020 1 77 55 55 GLY C C 175.663 0.3 1 78 55 55 GLY CA C 45.212 0.3 1 79 55 55 GLY N N 104.965 0.3 1 80 56 56 ALA H H 6.898 0.020 1 81 56 56 ALA C C 178.105 0.3 1 82 56 56 ALA CA C 50.704 0.3 1 83 56 56 ALA CB C 18.831 0.3 1 84 56 56 ALA N N 117.665 0.3 1 85 59 59 ALA H H 6.835 0.020 1 86 59 59 ALA C C 179.632 0.3 1 87 59 59 ALA CA C 54.112 0.3 1 88 59 59 ALA CB C 18.153 0.3 1 89 59 59 ALA N N 118.827 0.3 1 90 60 60 LEU H H 7.949 0.020 1 91 60 60 LEU C C 178.392 0.3 1 92 60 60 LEU CA C 57.517 0.3 1 93 60 60 LEU CB C 41.208 0.3 1 94 60 60 LEU N N 118.664 0.3 1 95 61 61 VAL H H 7.998 0.020 1 96 61 61 VAL C C 179.870 0.3 1 97 61 61 VAL CA C 66.145 0.3 1 98 61 61 VAL CB C 30.063 0.3 1 99 61 61 VAL N N 115.669 0.3 1 100 62 62 GLN H H 7.824 0.020 1 101 62 62 GLN C C 178.810 0.3 1 102 62 62 GLN CA C 58.200 0.3 1 103 62 62 GLN CB C 27.179 0.3 1 104 62 62 GLN N N 120.672 0.3 1 105 63 63 LEU H H 7.518 0.020 1 106 63 63 LEU C C 177.839 0.3 1 107 63 63 LEU CA C 56.299 0.3 1 108 63 63 LEU CB C 39.613 0.3 1 109 63 63 LEU N N 119.193 0.3 1 110 64 64 LEU H H 7.439 0.020 1 111 64 64 LEU C C 176.982 0.3 1 112 64 64 LEU CA C 55.744 0.3 1 113 64 64 LEU CB C 38.983 0.3 1 114 64 64 LEU N N 115.500 0.3 1 115 65 65 SER H H 7.421 0.020 1 116 65 65 SER C C 174.290 0.3 1 117 65 65 SER CA C 57.451 0.3 1 118 65 65 SER CB C 62.972 0.3 1 119 65 65 SER N N 111.337 0.3 1 120 66 66 SER H H 7.565 0.020 1 121 66 66 SER C C 174.837 0.3 1 122 66 66 SER CA C 56.434 0.3 1 123 66 66 SER CB C 64.461 0.3 1 124 66 66 SER N N 118.249 0.3 1 125 68 68 ASN H H 8.209 0.020 1 126 68 68 ASN C C 174.704 0.3 1 127 68 68 ASN CA C 52.598 0.3 1 128 68 68 ASN CB C 39.151 0.3 1 129 68 68 ASN N N 120.092 0.3 1 130 69 69 GLU H H 8.931 0.020 1 131 69 69 GLU C C 177.811 0.3 1 132 69 69 GLU CA C 59.294 0.3 1 133 69 69 GLU CB C 28.807 0.3 1 134 69 69 GLU N N 125.845 0.3 1 135 70 70 GLN H H 8.044 0.020 1 136 70 70 GLN C C 178.219 0.3 1 137 70 70 GLN CA C 58.937 0.3 1 138 70 70 GLN CB C 27.279 0.3 1 139 70 70 GLN N N 119.300 0.3 1 140 71 71 ILE H H 7.509 0.020 1 141 71 71 ILE C C 177.811 0.3 1 142 71 71 ILE N N 120.036 0.3 1 143 72 72 LEU H H 7.927 0.020 1 144 72 72 LEU C C 178.852 0.3 1 145 72 72 LEU CA C 58.338 0.3 1 146 72 72 LEU CB C 42.191 0.3 1 147 72 72 LEU N N 118.664 0.3 1 148 73 73 GLN H H 7.815 0.020 1 149 73 73 GLN C C 177.755 0.3 1 150 73 73 GLN CA C 59.431 0.3 1 151 73 73 GLN CB C 27.989 0.3 1 152 73 73 GLN N N 115.236 0.3 1 153 74 74 GLU H H 7.557 0.020 1 154 74 74 GLU C C 179.326 0.3 1 155 74 74 GLU CA C 58.481 0.3 1 156 74 74 GLU CB C 28.529 0.3 1 157 74 74 GLU N N 117.930 0.3 1 158 75 75 ALA H H 8.641 0.020 1 159 75 75 ALA C C 179.627 0.3 1 160 75 75 ALA CA C 54.918 0.3 1 161 75 75 ALA CB C 17.256 0.3 1 162 75 75 ALA N N 122.498 0.3 1 163 76 76 LEU H H 8.424 0.020 1 164 76 76 LEU C C 179.334 0.3 1 165 76 76 LEU CA C 57.466 0.3 1 166 76 76 LEU CB C 41.515 0.3 1 167 76 76 LEU N N 117.663 0.3 1 168 77 77 TRP H H 8.280 0.020 1 169 77 77 TRP HE1 H 9.278 0.020 1 170 77 77 TRP C C 179.304 0.3 1 171 77 77 TRP CA C 60.396 0.3 1 172 77 77 TRP N N 121.937 0.3 1 173 77 77 TRP NE1 N 127.339 0.3 1 174 78 78 ALA H H 8.382 0.020 1 175 78 78 ALA C C 179.285 0.3 1 176 78 78 ALA CA C 55.333 0.3 1 177 78 78 ALA CB C 16.778 0.3 1 178 78 78 ALA N N 121.458 0.3 1 179 79 79 LEU H H 8.496 0.020 1 180 79 79 LEU C C 178.751 0.3 1 181 79 79 LEU CA C 57.662 0.3 1 182 79 79 LEU CB C 41.247 0.3 1 183 79 79 LEU N N 116.664 0.3 1 184 80 80 SER H H 8.271 0.020 1 185 80 80 SER C C 175.039 0.3 1 186 80 80 SER CB C 61.899 0.3 1 187 80 80 SER N N 113.604 0.3 1 188 82 82 ILE H H 8.107 0.020 1 189 82 82 ILE C C 177.575 0.3 1 190 82 82 ILE CA C 64.484 0.3 1 191 82 82 ILE CB C 37.138 0.3 1 192 82 82 ILE N N 120.674 0.3 1 193 83 83 ALA H H 8.060 0.020 1 194 83 83 ALA CA C 53.768 0.3 1 195 83 83 ALA CB C 17.329 0.3 1 196 83 83 ALA N N 118.335 0.3 1 197 84 84 SER H H 7.479 0.020 1 198 84 84 SER CA C 59.434 0.3 1 199 84 84 SER CB C 62.719 0.3 1 200 84 84 SER N N 111.218 0.3 1 201 85 85 GLY H H 7.857 0.020 1 202 85 85 GLY C C 174.004 0.3 1 203 85 85 GLY CA C 45.744 0.3 1 204 85 85 GLY N N 108.699 0.3 1 205 86 86 GLY H H 7.339 0.020 1 206 86 86 GLY C C 174.347 0.3 1 207 86 86 GLY CA C 44.259 0.3 1 208 86 86 GLY N N 105.747 0.3 1 209 88 88 GLU H H 9.137 0.020 1 210 88 88 GLU C C 179.104 0.3 1 211 88 88 GLU CA C 59.276 0.3 1 212 88 88 GLU CB C 27.880 0.3 1 213 88 88 GLU N N 120.775 0.3 1 214 89 89 GLN H H 8.272 0.020 1 215 89 89 GLN C C 177.814 0.3 1 216 89 89 GLN N N 121.722 0.3 1 217 90 90 THR H H 7.989 0.020 1 218 90 90 THR C C 176.651 0.3 1 219 90 90 THR N N 114.875 0.3 1 220 91 91 GLN H H 8.131 0.020 1 221 91 91 GLN C C 177.124 0.3 1 222 91 91 GLN CA C 57.782 0.3 1 223 91 91 GLN CB C 27.046 0.3 1 224 91 91 GLN N N 120.354 0.3 1 225 92 92 ALA H H 7.628 0.020 1 226 92 92 ALA C C 180.469 0.3 1 227 92 92 ALA CA C 54.654 0.3 1 228 92 92 ALA CB C 16.524 0.3 1 229 92 92 ALA N N 120.518 0.3 1 230 93 93 VAL H H 7.410 0.020 1 231 93 93 VAL C C 177.383 0.3 1 232 93 93 VAL CA C 66.487 0.3 1 233 93 93 VAL CB C 30.710 0.3 1 234 93 93 VAL N N 118.358 0.3 1 235 94 94 ILE H H 7.695 0.020 1 236 94 94 ILE C C 181.178 0.3 1 237 94 94 ILE CA C 65.177 0.3 1 238 94 94 ILE CB C 36.871 0.3 1 239 94 94 ILE N N 120.147 0.3 1 240 95 95 ASP H H 9.246 0.020 1 241 95 95 ASP C C 176.995 0.3 1 242 95 95 ASP CA C 56.700 0.3 1 243 95 95 ASP CB C 39.070 0.3 1 244 95 95 ASP N N 123.208 0.3 1 245 96 96 ALA H H 7.384 0.020 1 246 96 96 ALA C C 176.761 0.3 1 247 96 96 ALA CA C 51.774 0.3 1 248 96 96 ALA CB C 17.907 0.3 1 249 96 96 ALA N N 119.298 0.3 1 250 97 97 GLY H H 7.972 0.020 1 251 97 97 GLY C C 176.228 0.3 1 252 97 97 GLY CA C 45.063 0.3 1 253 97 97 GLY N N 104.051 0.3 1 254 98 98 ALA H H 7.133 0.020 1 255 98 98 ALA C C 178.517 0.3 1 256 98 98 ALA CA C 54.520 0.3 1 257 98 98 ALA CB C 19.419 0.3 1 258 98 98 ALA N N 116.982 0.3 1 259 99 99 LEU H H 9.273 0.020 1 260 99 99 LEU C C 175.644 0.3 1 261 99 99 LEU CA C 59.907 0.3 1 262 99 99 LEU CB C 37.690 0.3 1 263 99 99 LEU N N 113.085 0.3 1 264 101 101 ALA H H 6.481 0.020 1 265 101 101 ALA C C 179.805 0.3 1 266 101 101 ALA CA C 54.103 0.3 1 267 101 101 ALA CB C 18.425 0.3 1 268 101 101 ALA N N 118.037 0.3 1 269 102 102 LEU H H 8.218 0.020 1 270 102 102 LEU C C 178.459 0.3 1 271 102 102 LEU CA C 57.476 0.3 1 272 102 102 LEU CB C 41.228 0.3 1 273 102 102 LEU N N 118.388 0.3 1 274 103 103 VAL H H 8.178 0.020 1 275 103 103 VAL C C 179.830 0.3 1 276 103 103 VAL CA C 66.418 0.3 1 277 103 103 VAL CB C 30.173 0.3 1 278 103 103 VAL N N 115.925 0.3 1 279 104 104 GLN H H 7.628 0.020 1 280 104 104 GLN C C 178.881 0.3 1 281 104 104 GLN CA C 58.332 0.3 1 282 104 104 GLN CB C 27.294 0.3 1 283 104 104 GLN N N 119.668 0.3 1 284 105 105 LEU H H 7.486 0.020 1 285 105 105 LEU C C 177.588 0.3 1 286 105 105 LEU CA C 56.271 0.3 1 287 105 105 LEU CB C 40.437 0.3 1 288 105 105 LEU N N 119.037 0.3 1 289 106 106 LEU H H 7.369 0.020 1 290 106 106 LEU C C 176.818 0.3 1 291 106 106 LEU CA C 55.624 0.3 1 292 106 106 LEU CB C 39.188 0.3 1 293 106 106 LEU N N 115.449 0.3 1 294 107 107 SER H H 7.345 0.020 1 295 107 107 SER C C 174.176 0.3 1 296 107 107 SER CA C 57.742 0.3 1 297 107 107 SER CB C 63.002 0.3 1 298 107 107 SER N N 111.442 0.3 1 299 108 108 SER H H 7.541 0.020 1 300 108 108 SER C C 174.648 0.3 1 301 108 108 SER CA C 56.427 0.3 1 302 108 108 SER CB C 64.245 0.3 1 303 108 108 SER N N 118.618 0.3 1 304 110 110 ASN H H 8.201 0.020 1 305 110 110 ASN C C 175.172 0.3 1 306 110 110 ASN CA C 52.347 0.3 1 307 110 110 ASN CB C 38.152 0.3 1 308 110 110 ASN N N 120.146 0.3 1 309 111 111 GLU H H 8.829 0.020 1 310 111 111 GLU C C 178.106 0.3 1 311 111 111 GLU CA C 59.173 0.3 1 312 111 111 GLU CB C 29.080 0.3 1 313 111 111 GLU N N 125.369 0.3 1 314 112 112 GLN H H 8.100 0.020 1 315 112 112 GLN C C 177.800 0.3 1 316 112 112 GLN CA C 58.588 0.3 1 317 112 112 GLN CB C 27.545 0.3 1 318 112 112 GLN N N 118.930 0.3 1 319 113 113 ILE H H 7.191 0.020 1 320 113 113 ILE C C 177.285 0.3 1 321 113 113 ILE CA C 63.672 0.3 1 322 113 113 ILE CB C 35.607 0.3 1 323 113 113 ILE N N 119.668 0.3 1 324 114 114 LEU H H 8.051 0.020 1 325 114 114 LEU C C 178.699 0.3 1 326 114 114 LEU CA C 57.948 0.3 1 327 114 114 LEU CB C 42.099 0.3 1 328 114 114 LEU N N 118.478 0.3 1 329 115 115 GLN H H 7.753 0.020 1 330 115 115 GLN C C 177.932 0.3 1 331 115 115 GLN CA C 59.310 0.3 1 332 115 115 GLN CB C 27.462 0.3 1 333 115 115 GLN N N 115.345 0.3 1 334 116 116 TYR H H 7.784 0.020 1 335 116 116 TYR C C 178.456 0.3 1 336 116 116 TYR CA C 60.123 0.3 1 337 116 116 TYR CB C 37.280 0.3 1 338 116 116 TYR N N 115.818 0.3 1 339 117 117 ALA H H 8.947 0.020 1 340 117 117 ALA C C 178.867 0.3 1 341 117 117 ALA CA C 55.064 0.3 1 342 117 117 ALA CB C 16.906 0.3 1 343 117 117 ALA N N 123.835 0.3 1 344 118 118 LEU H H 8.187 0.020 1 345 118 118 LEU C C 178.413 0.3 1 346 118 118 LEU CA C 57.527 0.3 1 347 118 118 LEU CB C 41.369 0.3 1 348 118 118 LEU N N 118.456 0.3 1 349 119 119 ILE H H 7.942 0.020 1 350 119 119 ILE C C 178.665 0.3 1 351 119 119 ILE CA C 65.141 0.3 1 352 119 119 ILE CB C 37.113 0.3 1 353 119 119 ILE N N 118.775 0.3 1 354 120 120 ALA H H 7.856 0.020 1 355 120 120 ALA C C 178.990 0.3 1 356 120 120 ALA CA C 55.436 0.3 1 357 120 120 ALA CB C 16.905 0.3 1 358 120 120 ALA N N 120.831 0.3 1 359 121 121 LEU H H 8.374 0.020 1 360 121 121 LEU C C 178.990 0.3 1 361 121 121 LEU CA C 57.795 0.3 1 362 121 121 LEU CB C 41.243 0.3 1 363 121 121 LEU N N 117.506 0.3 1 364 122 122 ASN H H 8.657 0.020 1 365 122 122 ASN C C 177.409 0.3 1 366 122 122 ASN N N 119.355 0.3 1 367 124 124 ILE H H 7.832 0.020 1 368 124 124 ILE C C 176.459 0.3 1 369 124 124 ILE CA C 63.948 0.3 1 370 124 124 ILE CB C 37.360 0.3 1 371 124 124 ILE N N 118.404 0.3 1 372 125 125 ALA H H 8.205 0.020 1 373 125 125 ALA CB C 18.021 0.3 1 374 125 125 ALA N N 118.563 0.3 1 375 128 128 GLY H H 7.474 0.020 1 376 128 128 GLY C C 173.944 0.3 1 377 128 128 GLY CA C 44.927 0.3 1 378 128 128 GLY N N 103.901 0.3 1 379 129 129 ASN H H 8.483 0.020 1 380 129 129 ASN C C 177.405 0.3 1 381 129 129 ASN CA C 57.845 0.3 1 382 129 129 ASN CB C 38.164 0.3 1 383 129 129 ASN N N 119.090 0.3 1 384 130 130 GLU H H 9.056 0.020 1 385 130 130 GLU C C 178.749 0.3 1 386 130 130 GLU CA C 59.137 0.3 1 387 130 130 GLU CB C 27.722 0.3 1 388 130 130 GLU N N 120.725 0.3 1 389 131 131 GLN H H 8.366 0.020 1 390 131 131 GLN C C 177.753 0.3 1 391 131 131 GLN CA C 52.894 0.3 1 392 131 131 GLN CB C 26.074 0.3 1 393 131 131 GLN N N 121.045 0.3 1 394 133 133 GLN H H 8.287 0.020 1 395 133 133 GLN C C 177.291 0.3 1 396 133 133 GLN CA C 57.808 0.3 1 397 133 133 GLN CB C 26.748 0.3 1 398 133 133 GLN N N 120.566 0.3 1 399 134 134 ALA H H 7.707 0.020 1 400 134 134 ALA C C 180.512 0.3 1 401 134 134 ALA CA C 54.654 0.3 1 402 134 134 ALA CB C 16.653 0.3 1 403 134 134 ALA N N 120.906 0.3 1 404 135 135 VAL H H 7.548 0.020 1 405 135 135 VAL C C 177.431 0.3 1 406 135 135 VAL CA C 66.689 0.3 1 407 135 135 VAL CB C 30.718 0.3 1 408 135 135 VAL N N 119.248 0.3 1 409 136 136 ILE H H 7.738 0.020 1 410 136 136 ILE C C 181.215 0.3 1 411 136 136 ILE CA C 65.317 0.3 1 412 136 136 ILE CB C 36.930 0.3 1 413 136 136 ILE N N 119.986 0.3 1 414 137 137 ASP H H 9.136 0.020 1 415 137 137 ASP C C 176.995 0.3 1 416 137 137 ASP CA C 56.707 0.3 1 417 137 137 ASP CB C 39.205 0.3 1 418 137 137 ASP N N 122.884 0.3 1 419 138 138 ALA H H 7.462 0.020 1 420 138 138 ALA C C 176.933 0.3 1 421 138 138 ALA CA C 51.762 0.3 1 422 138 138 ALA CB C 17.883 0.3 1 423 138 138 ALA N N 119.512 0.3 1 424 139 139 GLY H H 7.971 0.020 1 425 139 139 GLY C C 176.196 0.3 1 426 139 139 GLY CA C 45.063 0.3 1 427 139 139 GLY N N 103.977 0.3 1 428 140 140 ALA H H 7.099 0.020 1 429 140 140 ALA C C 178.516 0.3 1 430 140 140 ALA CA C 54.472 0.3 1 431 140 140 ALA CB C 19.244 0.3 1 432 140 140 ALA N N 116.860 0.3 1 433 141 141 LEU H H 9.207 0.020 1 434 141 141 LEU C C 175.467 0.3 1 435 141 141 LEU CA C 60.256 0.3 1 436 141 141 LEU CB C 37.832 0.3 1 437 141 141 LEU N N 113.868 0.3 1 438 143 143 ALA H H 6.583 0.020 1 439 143 143 ALA C C 180.013 0.3 1 440 143 143 ALA CA C 53.968 0.3 1 441 143 143 ALA CB C 18.292 0.3 1 442 143 143 ALA N N 118.511 0.3 1 443 144 144 LEU H H 8.272 0.020 1 444 144 144 LEU C C 178.457 0.3 1 445 144 144 LEU CA C 57.109 0.3 1 446 144 144 LEU CB C 41.112 0.3 1 447 144 144 LEU N N 118.247 0.3 1 448 145 145 VAL H H 8.122 0.020 1 449 145 145 VAL C C 179.220 0.3 1 450 145 145 VAL CA C 66.615 0.3 1 451 145 145 VAL CB C 30.173 0.3 1 452 145 145 VAL N N 115.873 0.3 1 453 146 146 GLN H H 7.455 0.020 1 454 146 146 GLN C C 178.867 0.3 1 455 146 146 GLN CA C 58.063 0.3 1 456 146 146 GLN CB C 27.182 0.3 1 457 146 146 GLN N N 117.877 0.3 1 458 147 147 LEU H H 7.503 0.020 1 459 147 147 LEU C C 177.811 0.3 1 460 147 147 LEU CA C 56.265 0.3 1 461 147 147 LEU CB C 40.396 0.3 1 462 147 147 LEU N N 119.723 0.3 1 463 148 148 LEU H H 7.368 0.020 1 464 148 148 LEU C C 176.875 0.3 1 465 148 148 LEU CA C 55.739 0.3 1 466 148 148 LEU CB C 40.120 0.3 1 467 148 148 LEU N N 116.189 0.3 1 468 149 149 SER H H 7.360 0.020 1 469 149 149 SER C C 174.168 0.3 1 470 149 149 SER CA C 57.886 0.3 1 471 149 149 SER CB C 63.001 0.3 1 472 149 149 SER N N 111.293 0.3 1 473 150 150 SER H H 7.667 0.020 1 474 150 150 SER C C 174.939 0.3 1 475 150 150 SER CA C 56.458 0.3 1 476 150 150 SER CB C 64.378 0.3 1 477 150 150 SER N N 118.247 0.3 1 478 152 152 ASN H H 8.280 0.020 1 479 152 152 ASN C C 175.471 0.3 1 480 152 152 ASN CA C 52.744 0.3 1 481 152 152 ASN CB C 38.771 0.3 1 482 152 152 ASN N N 121.093 0.3 1 483 153 153 GLY H H 8.908 0.020 1 484 153 153 GLY C C 175.434 0.3 1 485 153 153 GLY CA C 46.961 0.3 1 486 153 153 GLY N N 114.141 0.3 1 487 154 154 GLN H H 8.081 0.020 1 488 154 154 GLN C C 178.724 0.3 1 489 154 154 GLN CA C 58.608 0.3 1 490 154 154 GLN CB C 27.167 0.3 1 491 154 154 GLN N N 120.962 0.3 1 492 155 155 ILE H H 7.548 0.020 1 493 155 155 ILE C C 179.569 0.3 1 494 155 155 ILE CA C 64.076 0.3 1 495 155 155 ILE CB C 36.099 0.3 1 496 155 155 ILE N N 120.670 0.3 1 497 156 156 LEU H H 8.389 0.020 1 498 156 156 LEU C C 178.516 0.3 1 499 156 156 LEU CA C 58.046 0.3 1 500 156 156 LEU CB C 41.431 0.3 1 501 156 156 LEU N N 121.411 0.3 1 502 157 157 GLN H H 7.935 0.020 1 503 157 157 GLN C C 178.537 0.3 1 504 157 157 GLN CA C 59.444 0.3 1 505 157 157 GLN CB C 28.264 0.3 1 506 157 157 GLN N N 116.664 0.3 1 507 158 158 GLU H H 7.722 0.020 1 508 158 158 GLU C C 179.568 0.3 1 509 158 158 GLU CA C 58.069 0.3 1 510 158 158 GLU CB C 29.083 0.3 1 511 158 158 GLU N N 117.138 0.3 1 512 159 159 THR H H 8.279 0.020 1 513 159 159 THR C C 176.489 0.3 1 514 159 159 THR N N 119.081 0.3 1 515 160 160 LEU H H 8.515 0.020 1 516 160 160 LEU C C 179.697 0.3 1 517 160 160 LEU CA C 58.202 0.3 1 518 160 160 LEU CB C 40.444 0.3 1 519 160 160 LEU N N 121.988 0.3 1 520 161 161 TRP H H 7.948 0.020 1 521 161 161 TRP C C 178.278 0.3 1 522 161 161 TRP CA C 54.765 0.3 1 523 161 161 TRP N N 121.070 0.3 1 524 162 162 ALA H H 8.084 0.020 1 525 162 162 ALA C C 180.741 0.3 1 526 162 162 ALA CA C 55.207 0.3 1 527 162 162 ALA CB C 17.739 0.3 1 528 162 162 ALA N N 122.044 0.3 1 529 163 163 LEU H H 8.398 0.020 1 530 163 163 LEU C C 178.515 0.3 1 531 163 163 LEU CA C 57.390 0.3 1 532 163 163 LEU CB C 41.595 0.3 1 533 163 163 LEU N N 115.349 0.3 1 534 164 164 THR H H 8.007 0.020 1 535 164 164 THR CA C 66.547 0.3 1 536 164 164 THR CB C 67.492 0.3 1 537 164 164 THR N N 113.796 0.3 1 538 165 165 ASN H H 7.846 0.020 1 539 165 165 ASN C C 177.514 0.3 1 540 165 165 ASN CA C 56.418 0.3 1 541 165 165 ASN CB C 37.718 0.3 1 542 165 165 ASN N N 118.970 0.3 1 543 166 166 ILE H H 7.699 0.020 1 544 166 166 ILE C C 176.877 0.3 1 545 166 166 ILE CA C 65.302 0.3 1 546 166 166 ILE CB C 37.407 0.3 1 547 166 166 ILE N N 118.455 0.3 1 548 167 167 ALA H H 7.753 0.020 1 549 167 167 ALA C C 177.931 0.3 1 550 167 167 ALA CA C 53.834 0.3 1 551 167 167 ALA CB C 18.117 0.3 1 552 167 167 ALA N N 118.139 0.3 1 553 168 168 MET H H 7.458 0.020 1 554 168 168 MET C C 177.342 0.3 1 555 168 168 MET CA C 55.504 0.3 1 556 168 168 MET CB C 31.535 0.3 1 557 168 168 MET N N 111.707 0.3 1 558 169 169 GLU H H 7.620 0.020 1 559 169 169 GLU C C 176.696 0.3 1 560 169 169 GLU CA C 57.248 0.3 1 561 169 169 GLU CB C 29.219 0.3 1 562 169 169 GLU N N 118.879 0.3 1 563 170 170 GLY H H 7.062 0.020 1 564 170 170 GLY C C 173.356 0.3 1 565 170 170 GLY CA C 44.723 0.3 1 566 170 170 GLY N N 102.950 0.3 1 567 172 172 GLU H H 9.126 0.020 1 568 172 172 GLU C C 179.218 0.3 1 569 172 172 GLU CA C 59.268 0.3 1 570 172 172 GLU CB C 27.722 0.3 1 571 172 172 GLU N N 120.703 0.3 1 572 173 173 GLN H H 8.570 0.020 1 573 173 173 GLN C C 177.753 0.3 1 574 173 173 GLN CA C 59.834 0.3 1 575 173 173 GLN CB C 26.208 0.3 1 576 173 173 GLN N N 121.834 0.3 1 577 174 174 LYS H H 8.162 0.020 1 578 174 174 LYS C C 178.690 0.3 1 579 174 174 LYS CA C 60.132 0.3 1 580 174 174 LYS CB C 31.125 0.3 1 581 174 174 LYS N N 119.722 0.3 1 582 175 175 GLN H H 8.068 0.020 1 583 175 175 GLN C C 177.873 0.3 1 584 175 175 GLN CA C 58.060 0.3 1 585 175 175 GLN CB C 26.622 0.3 1 586 175 175 GLN N N 117.456 0.3 1 587 176 176 ALA H H 7.777 0.020 1 588 176 176 ALA C C 180.854 0.3 1 589 176 176 ALA CA C 54.653 0.3 1 590 176 176 ALA CB C 16.653 0.3 1 591 176 176 ALA N N 121.993 0.3 1 592 177 177 VAL H H 7.926 0.020 1 593 177 177 VAL C C 177.699 0.3 1 594 177 177 VAL CA C 66.670 0.3 1 595 177 177 VAL CB C 30.580 0.3 1 596 177 177 VAL N N 119.139 0.3 1 597 178 178 LYS H H 7.846 0.020 1 598 178 178 LYS C C 181.385 0.3 1 599 178 178 LYS CA C 59.711 0.3 1 600 178 178 LYS CB C 30.988 0.3 1 601 178 178 LYS N N 118.882 0.3 1 602 179 179 GLU H H 8.915 0.020 1 603 179 179 GLU C C 177.344 0.3 1 604 179 179 GLU CA C 58.401 0.3 1 605 179 179 GLU CB C 28.263 0.3 1 606 179 179 GLU N N 121.572 0.3 1 607 180 180 ALA H H 7.408 0.020 1 608 180 180 ALA C C 177.115 0.3 1 609 180 180 ALA CA C 51.865 0.3 1 610 180 180 ALA CB C 17.751 0.3 1 611 180 180 ALA N N 118.458 0.3 1 612 181 181 GLY H H 7.746 0.020 1 613 181 181 GLY C C 176.290 0.3 1 614 181 181 GLY CA C 44.808 0.3 1 615 181 181 GLY N N 103.384 0.3 1 616 182 182 ALA H H 7.086 0.020 1 617 182 182 ALA C C 178.623 0.3 1 618 182 182 ALA CA C 54.677 0.3 1 619 182 182 ALA CB C 19.375 0.3 1 620 182 182 ALA N N 117.244 0.3 1 621 183 183 LEU H H 8.750 0.020 1 622 183 183 LEU C C 178.809 0.3 1 623 183 183 LEU CA C 59.094 0.3 1 624 183 183 LEU CB C 39.066 0.3 1 625 183 183 LEU N N 115.298 0.3 1 626 184 184 GLU H H 8.122 0.020 1 627 184 184 GLU C C 179.335 0.3 1 628 184 184 GLU CA C 59.126 0.3 1 629 184 184 GLU CB C 28.138 0.3 1 630 184 184 GLU N N 116.982 0.3 1 631 185 185 LYS H H 6.772 0.020 1 632 185 185 LYS C C 179.449 0.3 1 633 185 185 LYS CA C 56.992 0.3 1 634 185 185 LYS CB C 31.953 0.3 1 635 185 185 LYS N N 115.714 0.3 1 636 186 186 LEU H H 8.296 0.020 1 637 186 186 LEU C C 179.221 0.3 1 638 186 186 LEU CA C 57.659 0.3 1 639 186 186 LEU CB C 40.827 0.3 1 640 186 186 LEU N N 119.881 0.3 1 641 187 187 GLU H H 8.138 0.020 1 642 187 187 GLU C C 180.148 0.3 1 643 187 187 GLU CA C 59.023 0.3 1 644 187 187 GLU CB C 28.417 0.3 1 645 187 187 GLU N N 117.927 0.3 1 646 188 188 GLN H H 7.274 0.020 1 647 188 188 GLN C C 178.632 0.3 1 648 188 188 GLN CA C 57.777 0.3 1 649 188 188 GLN CB C 27.439 0.3 1 650 188 188 GLN N N 117.349 0.3 1 651 189 189 LEU H H 7.655 0.020 1 652 189 189 LEU C C 177.469 0.3 1 653 189 189 LEU CA C 55.916 0.3 1 654 189 189 LEU CB C 41.387 0.3 1 655 189 189 LEU N N 119.323 0.3 1 656 190 190 GLN H H 7.392 0.020 1 657 190 190 GLN C C 175.761 0.3 1 658 190 190 GLN CA C 58.068 0.3 1 659 190 190 GLN CB C 28.129 0.3 1 660 190 190 GLN N N 115.555 0.3 1 661 191 191 SER H H 7.470 0.020 1 662 191 191 SER C C 173.943 0.3 1 663 191 191 SER CA C 56.732 0.3 1 664 191 191 SER CB C 62.767 0.3 1 665 191 191 SER N N 110.850 0.3 1 666 192 192 HIS H H 7.494 0.020 1 667 192 192 HIS C C 174.692 0.3 1 668 192 192 HIS CA C 59.149 0.3 1 669 192 192 HIS CB C 31.155 0.3 1 670 192 192 HIS N N 124.471 0.3 1 671 193 193 GLU H H 7.846 0.020 1 672 193 193 GLU C C 176.869 0.3 1 673 193 193 GLU CA C 58.067 0.3 1 674 193 193 GLU CB C 28.568 0.3 1 675 193 193 GLU N N 123.285 0.3 1 676 194 194 ASN H H 11.272 0.020 1 677 194 194 ASN C C 175.859 0.3 1 678 194 194 ASN CA C 53.010 0.3 1 679 194 194 ASN CB C 38.858 0.3 1 680 194 194 ASN N N 124.518 0.3 1 681 195 195 GLU H H 8.971 0.020 1 682 195 195 GLU C C 177.873 0.3 1 683 195 195 GLU CA C 59.096 0.3 1 684 195 195 GLU CB C 28.669 0.3 1 685 195 195 GLU N N 127.371 0.3 1 686 196 196 LYS H H 7.965 0.020 1 687 196 196 LYS C C 178.870 0.3 1 688 196 196 LYS CA C 58.892 0.3 1 689 196 196 LYS CB C 31.108 0.3 1 690 196 196 LYS N N 119.407 0.3 1 691 197 197 ILE H H 7.204 0.020 1 692 197 197 ILE C C 177.336 0.3 1 693 197 197 ILE CA C 62.704 0.3 1 694 197 197 ILE CB C 34.813 0.3 1 695 197 197 ILE N N 119.191 0.3 1 696 198 198 GLN H H 8.060 0.020 1 697 198 198 GLN C C 178.930 0.3 1 698 198 198 GLN CA C 59.169 0.3 1 699 198 198 GLN CB C 27.655 0.3 1 700 198 198 GLN N N 117.876 0.3 1 701 199 199 LYS H H 7.652 0.020 1 702 199 199 LYS C C 179.337 0.3 1 703 199 199 LYS CA C 58.612 0.3 1 704 199 199 LYS CB C 31.410 0.3 1 705 199 199 LYS N N 117.456 0.3 1 706 200 200 GLU H H 8.075 0.020 1 707 200 200 GLU C C 179.955 0.3 1 708 200 200 GLU CA C 58.614 0.3 1 709 200 200 GLU CB C 28.447 0.3 1 710 200 200 GLU N N 119.303 0.3 1 711 201 201 ALA H H 8.908 0.020 1 712 201 201 ALA C C 178.984 0.3 1 713 201 201 ALA CA C 54.786 0.3 1 714 201 201 ALA CB C 17.585 0.3 1 715 201 201 ALA N N 122.625 0.3 1 716 202 202 GLN H H 8.052 0.020 1 717 202 202 GLN C C 178.693 0.3 1 718 202 202 GLN CA C 58.899 0.3 1 719 202 202 GLN CB C 27.418 0.3 1 720 202 202 GLN N N 118.246 0.3 1 721 203 203 GLU H H 8.122 0.020 1 722 203 203 GLU C C 178.867 0.3 1 723 203 203 GLU CA C 58.817 0.3 1 724 203 203 GLU CB C 28.516 0.3 1 725 203 203 GLU N N 119.248 0.3 1 726 204 204 ALA H H 7.957 0.020 1 727 204 204 ALA C C 179.190 0.3 1 728 204 204 ALA CA C 54.787 0.3 1 729 204 204 ALA CB C 17.331 0.3 1 730 204 204 ALA N N 121.308 0.3 1 731 205 205 LEU H H 8.092 0.020 1 732 205 205 LEU C C 178.984 0.3 1 733 205 205 LEU CA C 57.902 0.3 1 734 205 205 LEU CB C 40.798 0.3 1 735 205 205 LEU N N 117.875 0.3 1 736 206 206 GLU H H 7.918 0.020 1 737 206 206 GLU C C 179.921 0.3 1 738 206 206 GLU CA C 58.891 0.3 1 739 206 206 GLU CB C 28.376 0.3 1 740 206 206 GLU N N 118.171 0.3 1 741 207 207 LYS H H 7.784 0.020 1 742 207 207 LYS C C 178.749 0.3 1 743 207 207 LYS CA C 58.062 0.3 1 744 207 207 LYS CB C 31.231 0.3 1 745 207 207 LYS N N 117.823 0.3 1 746 208 208 LEU H H 7.895 0.020 1 747 208 208 LEU C C 177.220 0.3 1 748 208 208 LEU CA C 56.152 0.3 1 749 208 208 LEU CB C 41.380 0.3 1 750 208 208 LEU N N 117.296 0.3 1 751 209 209 GLN H H 7.620 0.020 1 752 209 209 GLN C C 176.053 0.3 1 753 209 209 GLN CA C 55.604 0.3 1 754 209 209 GLN CB C 28.675 0.3 1 755 209 209 GLN N N 115.507 0.3 1 756 210 210 SER H H 7.642 0.020 1 757 210 210 SER C C 173.497 0.3 1 758 210 210 SER CA C 58.182 0.3 1 759 210 210 SER CB C 63.393 0.3 1 760 210 210 SER N N 115.996 0.3 1 761 211 211 HIS H H 7.997 0.020 1 762 211 211 HIS C C 179.742 0.3 1 763 211 211 HIS CA C 57.250 0.3 1 764 211 211 HIS CB C 30.171 0.3 1 765 211 211 HIS N N 126.107 0.3 1 stop_ save_