data_27578 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Putative methyltransferase WBSCR27 in apo-form. ; _BMRB_accession_number 27578 _BMRB_flat_file_name bmr27578.str _Entry_type original _Submission_date 2018-08-14 _Accession_date 2018-08-14 _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 Mariasina Sofia S. . 2 Polshakov Vladimir I. . 3 Chang Chi-Fon . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 410 "13C chemical shifts" 612 "15N chemical shifts" 194 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-05-25 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 27417 'Putative methyltransferase WBSCR27 in complex with S-adenosyl-L-methionine' stop_ _Original_release_date 2018-08-14 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Williams-Beuren Syndrome-Related Methyltransferase WBSCR27: Cofactor Binding and Cleavage ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32255258 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mariasina Sofia S. . 2 Chang Chi-Fon F. . 3 Petrova Olga A. . 4 Efimov Sergey V. . 5 Klochkov Vladimir V. . 6 Kechko Olga I. . 7 Mitkevich Vladimir A. . 8 Sergiev Petr V. . 9 Dontsova Olga A. . 10 Polshakov Vladimir I. . stop_ _Journal_abbreviation 'FEBS J.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword 5'-Methylthioadenosine 'NMR assignments' S-Adenosyl-L-homocysteine S-Adenosyl-L-methionine 'Williams-Beuren syndrome' methyltransferase 'protein secondary structure' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name assembly_1 _Enzyme_commission_number 'EC 2.1.1' loop_ _Mol_system_component_name _Mol_label WBSCR27 $WBSCR27 stop_ _System_molecular_weight 25963 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'putative methyltransferase' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_WBSCR27 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common WBSCR27 _Molecular_mass 25963 _Mol_thiol_state 'all free' loop_ _Biological_function 'Putative methyltransferase associated to Williams-Beuren Syndrome' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 240 _Mol_residue_sequence ; GAMAQEEAGRLPQVLARVGT SHGITDLACKLRFYDDWAPE YDQDVAALKYRAPRLAVDCL SRAFRGSPHDALILDVACGT GLVAVELQARGFLQVQGVDG SPEMLKQARARGLYHHLSLC TLGQEPLPDPEGTFDAVIIV GALSEGQVPCSAIPELLRVT KPGGLVCLTTRTNPSNLPYK ETLEATLDSLERAGVWECLV TQPVDHWELATSEQETGLGT CANDGFISGIIYLYRKQETV ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 ALA 5 GLN 6 GLU 7 GLU 8 ALA 9 GLY 10 ARG 11 LEU 12 PRO 13 GLN 14 VAL 15 LEU 16 ALA 17 ARG 18 VAL 19 GLY 20 THR 21 SER 22 HIS 23 GLY 24 ILE 25 THR 26 ASP 27 LEU 28 ALA 29 CYS 30 LYS 31 LEU 32 ARG 33 PHE 34 TYR 35 ASP 36 ASP 37 TRP 38 ALA 39 PRO 40 GLU 41 TYR 42 ASP 43 GLN 44 ASP 45 VAL 46 ALA 47 ALA 48 LEU 49 LYS 50 TYR 51 ARG 52 ALA 53 PRO 54 ARG 55 LEU 56 ALA 57 VAL 58 ASP 59 CYS 60 LEU 61 SER 62 ARG 63 ALA 64 PHE 65 ARG 66 GLY 67 SER 68 PRO 69 HIS 70 ASP 71 ALA 72 LEU 73 ILE 74 LEU 75 ASP 76 VAL 77 ALA 78 CYS 79 GLY 80 THR 81 GLY 82 LEU 83 VAL 84 ALA 85 VAL 86 GLU 87 LEU 88 GLN 89 ALA 90 ARG 91 GLY 92 PHE 93 LEU 94 GLN 95 VAL 96 GLN 97 GLY 98 VAL 99 ASP 100 GLY 101 SER 102 PRO 103 GLU 104 MET 105 LEU 106 LYS 107 GLN 108 ALA 109 ARG 110 ALA 111 ARG 112 GLY 113 LEU 114 TYR 115 HIS 116 HIS 117 LEU 118 SER 119 LEU 120 CYS 121 THR 122 LEU 123 GLY 124 GLN 125 GLU 126 PRO 127 LEU 128 PRO 129 ASP 130 PRO 131 GLU 132 GLY 133 THR 134 PHE 135 ASP 136 ALA 137 VAL 138 ILE 139 ILE 140 VAL 141 GLY 142 ALA 143 LEU 144 SER 145 GLU 146 GLY 147 GLN 148 VAL 149 PRO 150 CYS 151 SER 152 ALA 153 ILE 154 PRO 155 GLU 156 LEU 157 LEU 158 ARG 159 VAL 160 THR 161 LYS 162 PRO 163 GLY 164 GLY 165 LEU 166 VAL 167 CYS 168 LEU 169 THR 170 THR 171 ARG 172 THR 173 ASN 174 PRO 175 SER 176 ASN 177 LEU 178 PRO 179 TYR 180 LYS 181 GLU 182 THR 183 LEU 184 GLU 185 ALA 186 THR 187 LEU 188 ASP 189 SER 190 LEU 191 GLU 192 ARG 193 ALA 194 GLY 195 VAL 196 TRP 197 GLU 198 CYS 199 LEU 200 VAL 201 THR 202 GLN 203 PRO 204 VAL 205 ASP 206 HIS 207 TRP 208 GLU 209 LEU 210 ALA 211 THR 212 SER 213 GLU 214 GLN 215 GLU 216 THR 217 GLY 218 LEU 219 GLY 220 THR 221 CYS 222 ALA 223 ASN 224 ASP 225 GLY 226 PHE 227 ILE 228 SER 229 GLY 230 ILE 231 ILE 232 TYR 233 LEU 234 TYR 235 ARG 236 LYS 237 GLN 238 GLU 239 THR 240 VAL 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 $WBSCR27 Mouse 10090 Eukaryota Metazoa Mus musculus 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 $WBSCR27 'recombinant technology' . Escherichia coli BL21 DE3 pET30aTEV stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_WB_NC _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $WBSCR27 0.4 mM '[U-99% 13C; U-99% 15N]' NaCl 50 mM 'natural abundance' 'sodium phosphate buffer (pH 7)' 50 mM 'natural abundance' DTT 10 mM 'natural abundance' 'Sodium azide (NaN3)' 0.02 % 'natural abundance' stop_ save_ save_WB_N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $WBSCR27 0.8 mM '[U-99% 15N]' NaCl 50 mM 'natural abundance' 'sodium phosphate buffer (pH 7)' 50 mM 'natural abundance' DTT 10 mM 'natural abundance' 'Sodium azide (NaN3)' 0.02 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version NMRFAM loop_ _Vendor _Address _Electronic_address '(NMRFAM Sparky) W. Lee' . whlee@nmrfam.wisc.edu Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version v3.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_PINE _Saveframe_category software _Name PINE _Version . loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version . loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version TALOS+ loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_NMRest _Saveframe_category software _Name NMRest _Version . loop_ _Vendor _Address _Electronic_address Polshakov 'Lomonosov Moscow State University, Moscow, Russia' polshakov@mail.ru stop_ loop_ _Task 'data analysis' stop_ _Details . save_ 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_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance_850_MHz _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $WB_N save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $WB_NC save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $WB_NC save_ save_3D_HCACO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $WB_NC save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $WB_NC save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $WB_NC save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $WB_NC save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $WB_NC save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $WB_N save_ save_3D_HNHAHB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHAHB' _Sample_label $WB_N save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $WB_NC save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 7 . pH pressure 1 . atm temperature 308 . 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 water H 1 protons ppm 4.65 internal direct . . . 1.000000000 'liquid anhydrous ammonia' N 15 nitrogen ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY $TOPSPIN $PINE $AutoAssign $TALOS $NMRest $NMRPipe $NMRDraw stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HCACO' '3D HN(CO)CA' '3D HNCA' '3D CBCA(CO)NH' '3D HNCACB' '3D HBHA(CO)NH' '3D HNHAHB' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $WB_N $WB_NC stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name WBSCR27 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 ALA HA H 4.311 0.01 1 2 2 2 ALA HB H 1.372 0.01 1 3 2 2 ALA C C 177.635 0.00 1 4 2 2 ALA CA C 52.552 0.12 1 5 2 2 ALA CB C 19.156 0.18 1 6 3 3 MET H H 8.397 0.01 1 7 3 3 MET HA H 4.440 0.01 1 8 3 3 MET HB2 H 2.057 0.02 2 9 3 3 MET HB3 H 1.989 0.01 2 10 3 3 MET HG2 H 2.595 0.00 2 11 3 3 MET HG3 H 2.524 0.00 2 12 3 3 MET C C 175.952 0.01 1 13 3 3 MET CA C 55.356 0.10 1 14 3 3 MET CB C 32.836 0.10 1 15 3 3 MET CG C 31.763 0.04 1 16 3 3 MET N N 119.726 0.07 1 17 4 4 ALA H H 8.326 0.00 1 18 4 4 ALA HA H 4.284 0.00 1 19 4 4 ALA HB H 1.375 0.00 1 20 4 4 ALA C C 177.627 0.05 1 21 4 4 ALA CA C 52.570 0.06 1 22 4 4 ALA CB C 18.913 0.13 1 23 4 4 ALA N N 125.462 0.05 1 24 5 5 GLN H H 8.329 0.00 1 25 5 5 GLN HA H 4.283 0.01 1 26 5 5 GLN HB2 H 2.087 0.00 2 27 5 5 GLN HB3 H 1.988 0.01 2 28 5 5 GLN HG2 H 2.348 0.00 2 29 5 5 GLN HG3 H 2.348 0.00 2 30 5 5 GLN HE21 H 7.498 0.00 2 31 5 5 GLN HE22 H 6.802 0.01 2 32 5 5 GLN C C 176.227 0.04 1 33 5 5 GLN CA C 56.150 0.05 1 34 5 5 GLN CB C 29.180 0.11 1 35 5 5 GLN CG C 33.651 0.06 1 36 5 5 GLN CD C 180.472 0.00 1 37 5 5 GLN N N 119.600 0.06 1 38 5 5 GLN NE2 N 112.262 0.05 1 39 6 6 GLU H H 8.435 0.00 1 40 6 6 GLU HA H 4.243 0.01 1 41 6 6 GLU HB2 H 2.034 0.01 2 42 6 6 GLU HB3 H 1.940 0.00 2 43 6 6 GLU HG2 H 2.248 0.01 2 44 6 6 GLU HG3 H 2.248 0.01 2 45 6 6 GLU C C 176.683 0.00 1 46 6 6 GLU CA C 56.859 0.09 1 47 6 6 GLU CB C 29.958 0.10 1 48 6 6 GLU CG C 36.204 0.02 1 49 6 6 GLU N N 121.751 0.06 1 50 7 7 GLU H H 8.335 0.00 1 51 7 7 GLU HA H 4.216 0.00 1 52 7 7 GLU HB2 H 2.027 0.00 2 53 7 7 GLU HB3 H 1.932 0.01 2 54 7 7 GLU C C 176.538 0.01 1 55 7 7 GLU CA C 56.681 0.16 1 56 7 7 GLU CB C 29.991 0.14 1 57 7 7 GLU N N 121.717 0.06 1 58 8 8 ALA H H 8.228 0.01 1 59 8 8 ALA HA H 4.238 0.00 1 60 8 8 ALA HB H 1.380 0.00 1 61 8 8 ALA C C 178.380 0.01 1 62 8 8 ALA CA C 52.952 0.14 1 63 8 8 ALA CB C 18.846 0.11 1 64 8 8 ALA N N 124.614 0.06 1 65 9 9 GLY H H 8.280 0.00 1 66 9 9 GLY HA2 H 3.902 0.00 2 67 9 9 GLY HA3 H 3.902 0.00 2 68 9 9 GLY C C 174.016 0.08 1 69 9 9 GLY CA C 45.268 0.15 1 70 9 9 GLY N N 107.229 0.09 1 71 10 10 ARG H H 7.884 0.00 1 72 10 10 ARG HA H 4.325 0.00 1 73 10 10 ARG HB2 H 1.819 0.01 2 74 10 10 ARG HB3 H 1.727 0.01 2 75 10 10 ARG C C 176.032 0.00 1 76 10 10 ARG CA C 55.714 0.13 1 77 10 10 ARG CB C 30.608 0.13 1 78 10 10 ARG N N 119.901 0.07 1 79 11 11 LEU H H 8.148 0.00 1 80 11 11 LEU HA H 4.558 0.00 1 81 11 11 LEU HB2 H 1.560 0.00 2 82 11 11 LEU HB3 H 1.560 0.00 2 83 11 11 LEU C C 175.197 0.00 1 84 11 11 LEU CA C 53.201 0.09 1 85 11 11 LEU CB C 41.371 0.00 1 86 11 11 LEU N N 124.206 0.09 1 87 12 12 PRO HA H 4.358 0.00 1 88 12 12 PRO HB2 H 2.260 0.00 2 89 12 12 PRO HB3 H 1.862 0.01 2 90 12 12 PRO C C 176.904 0.03 1 91 12 12 PRO CA C 63.262 0.20 1 92 12 12 PRO CB C 31.730 0.12 1 93 13 13 GLN H H 8.364 0.00 1 94 13 13 GLN HA H 4.281 0.00 1 95 13 13 GLN HB2 H 1.989 0.01 2 96 13 13 GLN HB3 H 1.766 0.00 2 97 13 13 GLN C C 176.148 0.01 1 98 13 13 GLN CA C 56.117 0.08 1 99 13 13 GLN CB C 29.224 0.17 1 100 13 13 GLN N N 120.184 0.06 1 101 14 14 VAL H H 8.054 0.00 1 102 14 14 VAL HA H 4.026 0.00 1 103 14 14 VAL HB H 2.046 0.01 1 104 14 14 VAL C C 176.112 0.00 1 105 14 14 VAL CA C 62.554 0.13 1 106 14 14 VAL CB C 32.335 0.12 1 107 14 14 VAL N N 120.955 0.08 1 108 15 15 LEU H H 8.143 0.00 1 109 15 15 LEU HA H 4.303 0.00 1 110 15 15 LEU HB2 H 1.555 0.00 2 111 15 15 LEU HB3 H 1.555 0.00 2 112 15 15 LEU C C 176.875 0.02 1 113 15 15 LEU CA C 55.060 0.04 1 114 15 15 LEU CB C 42.073 0.18 1 115 15 15 LEU N N 125.066 0.07 1 116 16 16 ALA H H 8.073 0.00 1 117 16 16 ALA HA H 4.265 0.00 1 118 16 16 ALA HB H 1.334 0.00 1 119 16 16 ALA C C 177.370 0.01 1 120 16 16 ALA CA C 52.413 0.03 1 121 16 16 ALA CB C 19.096 0.10 1 122 16 16 ALA N N 124.229 0.05 1 123 17 17 ARG H H 8.116 0.01 1 124 17 17 ARG HB2 H 1.770 0.00 2 125 17 17 ARG HB3 H 1.770 0.00 2 126 17 17 ARG CA C 56.032 0.00 1 127 17 17 ARG CB C 30.363 0.00 1 128 17 17 ARG N N 119.847 0.06 1 129 23 23 GLY HA2 H 3.918 0.00 2 130 23 23 GLY HA3 H 3.918 0.00 2 131 23 23 GLY C C 174.056 0.01 1 132 23 23 GLY CA C 45.273 0.17 1 133 24 24 ILE H H 8.067 0.00 1 134 24 24 ILE HA H 4.216 0.01 1 135 24 24 ILE HB H 1.871 0.00 1 136 24 24 ILE C C 176.507 0.07 1 137 24 24 ILE CA C 61.388 0.11 1 138 24 24 ILE CB C 38.372 0.14 1 139 24 24 ILE N N 119.970 0.06 1 140 25 25 THR H H 8.116 0.01 1 141 25 25 THR HA H 4.296 0.01 1 142 25 25 THR HB H 4.197 0.00 1 143 25 25 THR C C 174.296 0.00 1 144 25 25 THR CA C 62.036 0.26 1 145 25 25 THR CB C 69.506 0.09 1 146 25 25 THR N N 117.188 0.08 1 147 26 26 ASP H H 8.188 0.01 1 148 26 26 ASP HA H 4.566 0.00 1 149 26 26 ASP HB2 H 2.685 0.01 2 150 26 26 ASP HB3 H 2.627 0.02 2 151 26 26 ASP C C 176.435 0.00 1 152 26 26 ASP CA C 54.375 0.14 1 153 26 26 ASP CB C 40.917 0.18 1 154 26 26 ASP N N 122.653 0.04 1 155 27 27 LEU H H 8.088 0.01 1 156 27 27 LEU HA H 4.175 0.00 1 157 27 27 LEU HB2 H 1.589 0.00 2 158 27 27 LEU HB3 H 1.589 0.00 2 159 27 27 LEU C C 177.499 0.01 1 160 27 27 LEU CA C 55.867 0.12 1 161 27 27 LEU CB C 41.855 0.19 1 162 27 27 LEU N N 122.403 0.09 1 163 28 28 ALA H H 8.161 0.00 1 164 28 28 ALA HA H 4.173 0.00 1 165 28 28 ALA HB H 1.380 0.00 1 166 28 28 ALA C C 178.125 0.01 1 167 28 28 ALA CA C 53.222 0.09 1 168 28 28 ALA CB C 18.735 0.14 1 169 28 28 ALA N N 122.557 0.06 1 170 29 29 CYS H H 7.939 0.01 1 171 29 29 CYS HA H 4.332 0.00 1 172 29 29 CYS HB2 H 2.934 0.00 2 173 29 29 CYS HB3 H 2.934 0.00 2 174 29 29 CYS CA C 59.160 0.10 1 175 29 29 CYS CB C 27.514 0.14 1 176 29 29 CYS N N 116.760 0.06 1 177 30 30 LYS H H 8.103 0.00 1 178 30 30 LYS CA C 56.776 0.00 1 179 30 30 LYS N N 122.563 0.05 1 180 35 35 ASP C C 174.943 0.00 1 181 35 35 ASP CA C 54.703 0.01 1 182 35 35 ASP CB C 41.211 0.00 1 183 36 36 ASP H H 8.080 0.01 1 184 36 36 ASP HA H 4.478 0.00 1 185 36 36 ASP HB2 H 2.552 0.00 2 186 36 36 ASP HB3 H 2.552 0.00 2 187 36 36 ASP C C 175.529 0.00 1 188 36 36 ASP CA C 54.207 0.14 1 189 36 36 ASP CB C 40.817 0.09 1 190 36 36 ASP N N 119.531 0.06 1 191 37 37 TRP H H 7.872 0.00 1 192 37 37 TRP HA H 4.479 0.01 1 193 37 37 TRP HB2 H 3.127 0.01 2 194 37 37 TRP HB3 H 3.127 0.01 2 195 37 37 TRP C C 174.892 0.01 1 196 37 37 TRP CA C 57.462 0.07 1 197 37 37 TRP CB C 29.447 0.15 1 198 37 37 TRP N N 120.886 0.11 1 199 38 38 ALA H H 7.472 0.01 1 200 38 38 ALA HA H 4.302 0.00 1 201 38 38 ALA HB H 1.077 0.00 1 202 38 38 ALA C C 174.650 0.00 1 203 38 38 ALA CA C 50.104 0.10 1 204 38 38 ALA CB C 18.430 0.00 1 205 38 38 ALA N N 127.288 0.06 1 206 39 39 PRO HA H 4.089 0.00 1 207 39 39 PRO C C 177.078 0.01 1 208 39 39 PRO CA C 63.365 0.16 1 209 39 39 PRO CB C 31.608 0.13 1 210 40 40 GLU H H 8.406 0.01 1 211 40 40 GLU C C 176.381 0.13 1 212 40 40 GLU CA C 56.974 0.15 1 213 40 40 GLU CB C 29.473 0.11 1 214 40 40 GLU N N 118.852 0.07 1 215 41 41 TYR H H 7.807 0.00 1 216 41 41 TYR HA H 4.479 0.01 1 217 41 41 TYR C C 175.608 0.01 1 218 41 41 TYR CA C 57.690 0.04 1 219 41 41 TYR CB C 38.229 0.14 1 220 41 41 TYR N N 119.630 0.07 1 221 42 42 ASP H H 8.003 0.00 1 222 42 42 ASP C C 176.303 0.03 1 223 42 42 ASP CA C 54.659 0.06 1 224 42 42 ASP CB C 41.023 0.13 1 225 42 42 ASP N N 120.950 0.06 1 226 43 43 GLN H H 7.997 0.00 1 227 43 43 GLN C C 175.910 0.03 1 228 43 43 GLN CA C 56.416 0.08 1 229 43 43 GLN CB C 28.963 0.13 1 230 43 43 GLN N N 119.220 0.08 1 231 44 44 ASP H H 8.120 0.01 1 232 44 44 ASP CA C 54.291 0.18 1 233 44 44 ASP CB C 40.822 0.06 1 234 44 44 ASP N N 120.724 0.10 1 235 45 45 VAL C C 177.415 0.01 1 236 45 45 VAL CA C 64.639 0.05 1 237 45 45 VAL CB C 30.675 0.10 1 238 46 46 ALA H H 8.152 0.00 1 239 46 46 ALA HB H 1.434 0.00 1 240 46 46 ALA C C 178.865 0.01 1 241 46 46 ALA CA C 54.145 0.15 1 242 46 46 ALA CB C 18.399 0.08 1 243 46 46 ALA N N 123.650 0.07 1 244 47 47 ALA H H 7.740 0.01 1 245 47 47 ALA HA H 4.452 0.00 1 246 47 47 ALA HB H 1.447 0.01 1 247 47 47 ALA C C 179.194 0.02 1 248 47 47 ALA CA C 53.273 0.12 1 249 47 47 ALA CB C 18.579 0.15 1 250 47 47 ALA N N 119.182 0.06 1 251 48 48 LEU H H 7.799 0.00 1 252 48 48 LEU HA H 4.732 0.00 1 253 48 48 LEU C C 178.746 0.00 1 254 48 48 LEU CA C 56.460 0.00 1 255 48 48 LEU CB C 41.334 0.00 1 256 48 48 LEU N N 118.802 0.10 1 257 50 50 TYR C C 176.845 0.00 1 258 50 50 TYR CA C 55.479 0.10 1 259 51 51 ARG H H 7.933 0.01 1 260 51 51 ARG HB2 H 1.810 0.00 2 261 51 51 ARG HB3 H 1.712 0.00 2 262 51 51 ARG C C 175.325 0.29 1 263 51 51 ARG CA C 55.942 0.11 1 264 51 51 ARG CB C 34.508 5.45 1 265 51 51 ARG N N 120.285 0.10 1 266 52 52 ALA H H 7.997 0.00 1 267 52 52 ALA CA C 52.526 0.09 1 268 52 52 ALA N N 122.427 0.09 1 269 55 55 LEU C C 180.081 0.00 1 270 55 55 LEU CA C 57.593 0.05 1 271 55 55 LEU CB C 42.285 0.00 1 272 56 56 ALA H H 8.511 0.01 1 273 56 56 ALA C C 178.540 0.03 1 274 56 56 ALA CA C 55.916 0.25 1 275 56 56 ALA CB C 19.084 0.08 1 276 56 56 ALA N N 122.259 0.09 1 277 57 57 VAL H H 8.237 0.00 1 278 57 57 VAL C C 178.297 0.08 1 279 57 57 VAL CA C 66.883 0.08 1 280 57 57 VAL CB C 30.342 0.00 1 281 57 57 VAL N N 116.510 0.12 1 282 58 58 ASP H H 8.626 0.00 1 283 58 58 ASP C C 177.400 0.07 1 284 58 58 ASP CA C 58.286 0.15 1 285 58 58 ASP CB C 41.684 0.00 1 286 58 58 ASP N N 123.489 0.11 1 287 59 59 CYS H H 7.655 0.00 1 288 59 59 CYS C C 176.570 0.02 1 289 59 59 CYS CA C 62.933 0.11 1 290 59 59 CYS CB C 26.479 0.00 1 291 59 59 CYS N N 117.996 0.06 1 292 60 60 LEU H H 7.878 0.01 1 293 60 60 LEU HA H 3.910 0.00 1 294 60 60 LEU C C 177.945 0.02 1 295 60 60 LEU CA C 58.970 0.09 1 296 60 60 LEU CB C 42.674 0.09 1 297 60 60 LEU N N 118.891 0.18 1 298 61 61 SER H H 8.919 0.00 1 299 61 61 SER HA H 3.935 0.00 1 300 61 61 SER C C 176.629 0.00 1 301 61 61 SER CA C 62.527 0.10 1 302 61 61 SER CB C 63.111 0.11 1 303 61 61 SER N N 112.530 0.07 1 304 62 62 ARG H H 7.818 0.00 1 305 62 62 ARG HA H 4.155 0.00 1 306 62 62 ARG C C 177.216 0.01 1 307 62 62 ARG CA C 58.535 0.14 1 308 62 62 ARG CB C 30.237 0.10 1 309 62 62 ARG N N 119.169 0.09 1 310 63 63 ALA H H 7.203 0.00 1 311 63 63 ALA HA H 4.371 0.01 1 312 63 63 ALA HB H 1.371 0.01 1 313 63 63 ALA C C 176.750 0.04 1 314 63 63 ALA CA C 51.933 0.07 1 315 63 63 ALA CB C 21.489 0.17 1 316 63 63 ALA N N 119.156 0.10 1 317 64 64 PHE H H 7.709 0.01 1 318 64 64 PHE C C 175.389 0.04 1 319 64 64 PHE CA C 60.177 0.14 1 320 64 64 PHE CB C 39.418 0.09 1 321 64 64 PHE N N 120.744 0.08 1 322 65 65 ARG H H 8.096 0.01 1 323 65 65 ARG HA H 4.421 0.02 1 324 65 65 ARG HB2 H 1.776 0.00 2 325 65 65 ARG HB3 H 1.547 0.00 2 326 65 65 ARG C C 175.370 0.09 1 327 65 65 ARG CA C 55.183 0.09 1 328 65 65 ARG CB C 30.793 0.00 1 329 65 65 ARG N N 127.679 0.11 1 330 66 66 GLY H H 6.608 0.01 1 331 66 66 GLY C C 172.646 0.02 1 332 66 66 GLY CA C 43.788 0.15 1 333 66 66 GLY N N 107.662 0.11 1 334 67 67 SER H H 8.567 0.00 1 335 67 67 SER HA H 4.886 0.01 1 336 67 67 SER HB2 H 3.831 0.00 2 337 67 67 SER HB3 H 3.740 0.00 2 338 67 67 SER C C 176.333 0.00 1 339 67 67 SER CA C 54.941 0.13 1 340 67 67 SER CB C 63.506 0.01 1 341 67 67 SER N N 115.703 0.10 1 342 68 68 PRO HA H 3.638 0.00 1 343 68 68 PRO C C 177.073 0.01 1 344 68 68 PRO CA C 65.391 0.04 1 345 68 68 PRO CB C 30.638 0.00 1 346 69 69 HIS H H 7.573 0.00 1 347 69 69 HIS HA H 4.300 0.00 1 348 69 69 HIS HB3 H 3.115 0.00 2 349 69 69 HIS C C 175.278 0.03 1 350 69 69 HIS CA C 58.475 0.13 1 351 69 69 HIS CB C 29.457 0.17 1 352 69 69 HIS N N 112.962 0.09 1 353 70 70 ASP H H 7.228 0.00 1 354 70 70 ASP HA H 4.743 0.01 1 355 70 70 ASP HB2 H 2.704 0.00 2 356 70 70 ASP HB3 H 2.458 0.02 2 357 70 70 ASP C C 175.435 0.07 1 358 70 70 ASP CA C 53.552 0.10 1 359 70 70 ASP CB C 42.077 0.11 1 360 70 70 ASP N N 115.598 0.07 1 361 71 71 ALA H H 7.142 0.00 1 362 71 71 ALA HA H 4.430 0.00 1 363 71 71 ALA HB H 1.505 0.01 1 364 71 71 ALA C C 175.800 0.00 1 365 71 71 ALA CA C 51.766 0.11 1 366 71 71 ALA CB C 21.082 0.16 1 367 71 71 ALA N N 123.175 0.07 1 368 72 72 LEU H H 9.969 0.01 1 369 72 72 LEU HA H 5.118 0.02 1 370 72 72 LEU HB2 H 1.981 0.00 2 371 72 72 LEU HB3 H 1.610 0.00 2 372 72 72 LEU C C 176.163 0.00 1 373 72 72 LEU CA C 54.990 0.11 1 374 72 72 LEU CB C 44.050 0.18 1 375 72 72 LEU N N 124.528 0.10 1 376 73 73 ILE H H 8.293 0.01 1 377 73 73 ILE C C 173.803 0.01 1 378 73 73 ILE CA C 57.790 0.09 1 379 73 73 ILE CB C 42.029 0.00 1 380 73 73 ILE N N 127.337 0.13 1 381 74 74 LEU H H 8.144 0.01 1 382 74 74 LEU C C 172.814 0.00 1 383 74 74 LEU CA C 52.913 0.10 1 384 74 74 LEU CB C 41.532 0.14 1 385 74 74 LEU N N 127.525 0.09 1 386 75 75 ASP H H 9.042 0.01 1 387 75 75 ASP C C 175.876 0.01 1 388 75 75 ASP CA C 52.486 0.09 1 389 75 75 ASP CB C 42.484 0.02 1 390 75 75 ASP N N 128.554 0.08 1 391 76 76 VAL H H 8.853 0.01 1 392 76 76 VAL C C 175.034 0.03 1 393 76 76 VAL CA C 62.414 0.11 1 394 76 76 VAL CB C 31.745 0.00 1 395 76 76 VAL N N 124.623 0.11 1 396 77 77 ALA H H 7.828 0.01 1 397 77 77 ALA C C 177.239 0.04 1 398 77 77 ALA CA C 53.140 0.18 1 399 77 77 ALA CB C 16.680 0.15 1 400 77 77 ALA N N 127.493 0.10 1 401 78 78 CYS H H 8.015 0.01 1 402 78 78 CYS C C 176.478 0.02 1 403 78 78 CYS CA C 57.945 0.13 1 404 78 78 CYS CB C 28.699 0.00 1 405 78 78 CYS N N 114.766 0.09 1 406 79 79 GLY H H 9.378 0.00 1 407 79 79 GLY C C 172.853 0.02 1 408 79 79 GLY CA C 48.187 0.10 1 409 79 79 GLY N N 118.330 0.08 1 410 80 80 THR H H 8.197 0.01 1 411 80 80 THR C C 176.625 0.05 1 412 80 80 THR CA C 62.075 0.22 1 413 80 80 THR CB C 69.231 0.06 1 414 80 80 THR N N 111.456 0.07 1 415 81 81 GLY H H 8.688 0.00 1 416 81 81 GLY C C 175.166 0.00 1 417 81 81 GLY CA C 47.092 0.08 1 418 81 81 GLY N N 109.952 0.07 1 419 82 82 LEU H H 8.024 0.00 1 420 82 82 LEU C C 180.317 0.02 1 421 82 82 LEU CA C 58.261 0.21 1 422 82 82 LEU CB C 41.825 0.08 1 423 82 82 LEU N N 117.835 0.06 1 424 83 83 VAL H H 9.557 0.01 1 425 83 83 VAL HA H 3.432 0.00 1 426 83 83 VAL C C 178.371 0.06 1 427 83 83 VAL CA C 66.644 0.16 1 428 83 83 VAL CB C 29.666 0.08 1 429 83 83 VAL N N 118.262 0.06 1 430 84 84 ALA H H 6.727 0.00 1 431 84 84 ALA HA H 3.799 0.00 1 432 84 84 ALA HB H 0.917 0.00 1 433 84 84 ALA C C 179.037 0.01 1 434 84 84 ALA CA C 55.573 0.15 1 435 84 84 ALA CB C 18.593 0.10 1 436 84 84 ALA N N 120.664 0.08 1 437 85 85 VAL H H 7.360 0.01 1 438 85 85 VAL HA H 3.361 0.00 1 439 85 85 VAL C C 178.906 0.04 1 440 85 85 VAL CA C 66.311 0.07 1 441 85 85 VAL CB C 31.658 0.00 1 442 85 85 VAL N N 117.864 0.08 1 443 86 86 GLU H H 7.032 0.00 1 444 86 86 GLU C C 179.608 0.02 1 445 86 86 GLU CA C 57.740 0.12 1 446 86 86 GLU N N 117.784 0.06 1 447 87 87 LEU H H 8.872 0.00 1 448 87 87 LEU C C 179.535 0.05 1 449 87 87 LEU CA C 58.137 0.06 1 450 87 87 LEU N N 121.330 0.09 1 451 88 88 GLN H H 8.488 0.01 1 452 88 88 GLN HA H 3.841 0.00 1 453 88 88 GLN C C 179.763 0.02 1 454 88 88 GLN CA C 59.801 0.18 1 455 88 88 GLN CB C 26.633 0.21 1 456 88 88 GLN N N 120.769 0.09 1 457 89 89 ALA H H 7.422 0.00 1 458 89 89 ALA HA H 4.129 0.00 1 459 89 89 ALA HB H 1.523 0.01 1 460 89 89 ALA C C 178.646 0.02 1 461 89 89 ALA CA C 54.354 0.13 1 462 89 89 ALA CB C 17.972 0.06 1 463 89 89 ALA N N 121.419 0.10 1 464 90 90 ARG H H 7.292 0.01 1 465 90 90 ARG HA H 4.505 0.00 1 466 90 90 ARG C C 175.399 0.06 1 467 90 90 ARG CA C 53.656 0.05 1 468 90 90 ARG CB C 29.302 0.14 1 469 90 90 ARG N N 114.666 0.10 1 470 91 91 GLY H H 7.631 0.00 1 471 91 91 GLY C C 173.428 0.04 1 472 91 91 GLY CA C 45.027 0.17 1 473 91 91 GLY N N 105.592 0.07 1 474 92 92 PHE H H 7.768 0.00 1 475 92 92 PHE C C 174.296 0.02 1 476 92 92 PHE CA C 57.185 0.17 1 477 92 92 PHE CB C 37.192 0.12 1 478 92 92 PHE N N 119.670 0.10 1 479 93 93 LEU H H 6.619 0.00 1 480 93 93 LEU HA H 4.296 0.01 1 481 93 93 LEU C C 177.941 0.00 1 482 93 93 LEU CA C 55.379 0.09 1 483 93 93 LEU CB C 42.993 0.09 1 484 93 93 LEU N N 119.418 0.08 1 485 94 94 GLN H H 9.354 0.00 1 486 94 94 GLN HA H 4.447 0.00 1 487 94 94 GLN C C 172.629 0.02 1 488 94 94 GLN CA C 55.173 0.05 1 489 94 94 GLN CB C 28.125 0.16 1 490 94 94 GLN N N 122.631 0.06 1 491 95 95 VAL H H 8.666 0.01 1 492 95 95 VAL HA H 5.044 0.00 1 493 95 95 VAL C C 174.915 0.03 1 494 95 95 VAL CA C 60.114 0.08 1 495 95 95 VAL CB C 34.634 0.12 1 496 95 95 VAL N N 123.713 0.10 1 497 96 96 GLN H H 9.462 0.01 1 498 96 96 GLN HE21 H 7.856 0.00 2 499 96 96 GLN HE22 H 7.188 0.00 2 500 96 96 GLN C C 174.637 0.04 1 501 96 96 GLN CA C 54.007 0.22 1 502 96 96 GLN CB C 30.678 0.17 1 503 96 96 GLN CG C 34.938 0.04 1 504 96 96 GLN CD C 177.790 0.01 1 505 96 96 GLN N N 126.832 0.07 1 506 96 96 GLN NE2 N 111.849 0.18 1 507 97 97 GLY H H 8.602 0.00 1 508 97 97 GLY C C 173.029 0.02 1 509 97 97 GLY CA C 44.559 0.06 1 510 97 97 GLY N N 108.461 0.05 1 511 98 98 VAL H H 8.004 0.00 1 512 98 98 VAL C C 173.924 0.02 1 513 98 98 VAL CA C 58.623 0.10 1 514 98 98 VAL CB C 36.018 0.15 1 515 98 98 VAL N N 117.081 0.06 1 516 99 99 ASP H H 8.344 0.00 1 517 99 99 ASP C C 174.647 0.03 1 518 99 99 ASP CA C 54.189 0.18 1 519 99 99 ASP CB C 47.353 0.14 1 520 99 99 ASP N N 124.395 0.06 1 521 100 100 GLY H H 8.665 0.01 1 522 100 100 GLY C C 174.269 0.00 1 523 100 100 GLY CA C 45.834 0.11 1 524 100 100 GLY N N 109.346 0.07 1 525 101 101 SER H H 9.027 0.00 1 526 101 101 SER C C 174.225 0.00 1 527 101 101 SER CA C 52.743 0.17 1 528 101 101 SER CB C 63.716 0.00 1 529 101 101 SER N N 116.106 0.08 1 530 102 102 PRO C C 179.063 0.00 1 531 102 102 PRO CA C 64.798 0.10 1 532 102 102 PRO CB C 32.049 0.00 1 533 103 103 GLU H H 7.981 0.01 1 534 103 103 GLU C C 179.487 0.05 1 535 103 103 GLU CA C 59.137 0.13 1 536 103 103 GLU CB C 28.988 0.13 1 537 103 103 GLU N N 118.129 0.13 1 538 104 104 MET H H 7.477 0.00 1 539 104 104 MET C C 178.069 0.04 1 540 104 104 MET CA C 57.163 0.11 1 541 104 104 MET CB C 31.438 0.24 1 542 104 104 MET N N 118.895 0.09 1 543 105 105 LEU H H 7.727 0.00 1 544 105 105 LEU HA H 3.710 0.00 1 545 105 105 LEU HB3 H 1.259 0.00 2 546 105 105 LEU C C 178.972 0.03 1 547 105 105 LEU CA C 57.865 0.14 1 548 105 105 LEU CB C 41.449 0.18 1 549 105 105 LEU N N 117.411 0.08 1 550 106 106 LYS H H 7.582 0.01 1 551 106 106 LYS HA H 3.891 0.01 1 552 106 106 LYS C C 179.527 0.01 1 553 106 106 LYS CA C 59.840 0.17 1 554 106 106 LYS CB C 32.346 0.20 1 555 106 106 LYS N N 117.664 0.07 1 556 107 107 GLN H H 7.286 0.01 1 557 107 107 GLN HA H 4.117 0.02 1 558 107 107 GLN C C 178.577 0.03 1 559 107 107 GLN CA C 58.661 0.08 1 560 107 107 GLN CB C 28.512 0.18 1 561 107 107 GLN N N 119.128 0.08 1 562 108 108 ALA H H 8.560 0.00 1 563 108 108 ALA HA H 4.088 0.00 1 564 108 108 ALA HB H 1.367 0.00 1 565 108 108 ALA C C 181.745 0.02 1 566 108 108 ALA CA C 55.384 0.12 1 567 108 108 ALA CB C 17.352 0.07 1 568 108 108 ALA N N 123.730 0.10 1 569 109 109 ARG H H 8.730 0.00 1 570 109 109 ARG C C 178.629 0.00 1 571 109 109 ARG CA C 59.217 0.22 1 572 109 109 ARG CB C 29.720 0.14 1 573 109 109 ARG N N 120.639 0.06 1 574 110 110 ALA H H 7.400 0.00 1 575 110 110 ALA HA H 4.149 0.01 1 576 110 110 ALA HB H 1.520 0.00 1 577 110 110 ALA C C 178.651 0.05 1 578 110 110 ALA CA C 53.952 0.08 1 579 110 110 ALA CB C 18.014 0.11 1 580 110 110 ALA N N 120.352 0.07 1 581 111 111 ARG H H 7.399 0.00 1 582 111 111 ARG HA H 4.159 0.00 1 583 111 111 ARG C C 177.989 0.02 1 584 111 111 ARG CA C 57.659 0.06 1 585 111 111 ARG CB C 30.541 0.15 1 586 111 111 ARG N N 113.933 0.08 1 587 112 112 GLY H H 7.692 0.00 1 588 112 112 GLY C C 174.010 0.07 1 589 112 112 GLY CA C 46.779 0.11 1 590 112 112 GLY N N 105.587 0.09 1 591 113 113 LEU H H 7.566 0.00 1 592 113 113 LEU C C 176.740 0.05 1 593 113 113 LEU CA C 54.885 0.05 1 594 113 113 LEU CB C 45.639 0.01 1 595 113 113 LEU N N 116.980 0.07 1 596 114 114 TYR H H 8.515 0.00 1 597 114 114 TYR C C 177.055 0.04 1 598 114 114 TYR CA C 58.326 0.19 1 599 114 114 TYR CB C 39.212 0.12 1 600 114 114 TYR N N 116.889 0.08 1 601 115 115 HIS H H 9.263 0.00 1 602 115 115 HIS C C 175.201 0.01 1 603 115 115 HIS CA C 57.743 0.17 1 604 115 115 HIS CB C 31.180 0.00 1 605 115 115 HIS N N 122.876 0.08 1 606 116 116 HIS H H 7.267 0.00 1 607 116 116 HIS C C 172.834 0.03 1 608 116 116 HIS CA C 56.664 0.07 1 609 116 116 HIS CB C 33.057 0.23 1 610 116 116 HIS N N 114.262 0.09 1 611 117 117 LEU H H 7.688 0.01 1 612 117 117 LEU C C 175.393 0.00 1 613 117 117 LEU CA C 53.408 0.03 1 614 117 117 LEU CB C 46.702 0.07 1 615 117 117 LEU N N 126.997 0.12 1 616 118 118 SER H H 7.977 0.00 1 617 118 118 SER HA H 4.584 0.00 1 618 118 118 SER HB2 H 3.821 0.00 2 619 118 118 SER HB3 H 3.676 0.00 2 620 118 118 SER C C 170.986 0.02 1 621 118 118 SER CA C 57.319 0.03 1 622 118 118 SER CB C 65.837 0.11 1 623 118 118 SER N N 114.704 0.12 1 624 119 119 LEU H H 8.220 0.01 1 625 119 119 LEU HA H 5.129 0.00 1 626 119 119 LEU C C 177.438 0.08 1 627 119 119 LEU CA C 53.469 0.05 1 628 119 119 LEU CB C 43.041 0.09 1 629 119 119 LEU N N 124.260 0.10 1 630 120 120 CYS H H 8.061 0.01 1 631 120 120 CYS HA H 4.375 0.00 1 632 120 120 CYS C C 173.372 0.00 1 633 120 120 CYS CA C 58.915 0.03 1 634 120 120 CYS CB C 29.019 0.17 1 635 120 120 CYS N N 126.536 0.08 1 636 121 121 THR H H 9.433 0.01 1 637 121 121 THR HA H 4.293 0.00 1 638 121 121 THR HB H 4.068 0.00 1 639 121 121 THR C C 173.774 0.22 1 640 121 121 THR CA C 60.759 0.30 1 641 121 121 THR CB C 67.792 0.08 1 642 121 121 THR N N 127.498 0.08 1 643 122 122 LEU H H 8.324 0.01 1 644 122 122 LEU C C 177.447 0.00 1 645 122 122 LEU CA C 56.490 0.10 1 646 122 122 LEU CB C 42.077 0.18 1 647 122 122 LEU N N 129.645 0.08 1 648 123 123 GLY H H 9.567 0.01 1 649 123 123 GLY C C 173.920 0.07 1 650 123 123 GLY CA C 44.826 0.15 1 651 123 123 GLY N N 112.579 0.09 1 652 124 124 GLN H H 7.763 0.00 1 653 124 124 GLN C C 174.707 0.06 1 654 124 124 GLN CA C 56.078 0.18 1 655 124 124 GLN CB C 30.577 0.15 1 656 124 124 GLN N N 117.648 0.07 1 657 125 125 GLU H H 7.797 0.00 1 658 125 125 GLU C C 172.269 0.00 1 659 125 125 GLU CA C 52.804 0.11 1 660 125 125 GLU N N 118.965 0.10 1 661 126 126 PRO C C 177.022 0.04 1 662 126 126 PRO CA C 61.775 0.13 1 663 126 126 PRO CB C 31.752 0.00 1 664 127 127 LEU H H 9.070 0.01 1 665 127 127 LEU C C 177.691 0.00 1 666 127 127 LEU CA C 53.575 0.05 1 667 127 127 LEU N N 120.876 0.07 1 668 128 128 PRO C C 176.646 0.03 1 669 128 128 PRO CA C 63.471 0.15 1 670 128 128 PRO CB C 31.783 0.00 1 671 129 129 ASP H H 7.175 0.00 1 672 129 129 ASP C C 172.493 0.00 1 673 129 129 ASP CA C 53.668 0.03 1 674 129 129 ASP CB C 41.856 0.00 1 675 129 129 ASP N N 118.074 0.06 1 676 130 130 PRO C C 176.520 0.02 1 677 130 130 PRO CA C 61.683 0.06 1 678 130 130 PRO CB C 32.223 0.00 1 679 131 131 GLU H H 8.309 0.00 1 680 131 131 GLU C C 177.756 0.02 1 681 131 131 GLU CA C 56.228 0.16 1 682 131 131 GLU CB C 29.537 0.00 1 683 131 131 GLU N N 121.640 0.06 1 684 132 132 GLY H H 8.426 0.01 1 685 132 132 GLY C C 173.567 0.00 1 686 132 132 GLY CA C 46.966 0.15 1 687 132 132 GLY N N 108.849 0.11 1 688 133 133 THR H H 7.172 0.00 1 689 133 133 THR C C 174.035 0.06 1 690 133 133 THR CA C 66.146 0.12 1 691 133 133 THR CB C 70.504 0.09 1 692 133 133 THR N N 115.939 0.10 1 693 134 134 PHE H H 8.535 0.00 1 694 134 134 PHE C C 176.197 0.03 1 695 134 134 PHE CA C 60.038 0.11 1 696 134 134 PHE CB C 40.936 0.11 1 697 134 134 PHE N N 116.062 0.08 1 698 135 135 ASP H H 9.415 0.01 1 699 135 135 ASP C C 175.815 0.05 1 700 135 135 ASP CA C 58.048 0.19 1 701 135 135 ASP CB C 42.636 0.00 1 702 135 135 ASP N N 123.395 0.09 1 703 136 136 ALA H H 7.756 0.00 1 704 136 136 ALA C C 174.326 0.04 1 705 136 136 ALA CA C 50.855 0.05 1 706 136 136 ALA CB C 22.563 0.13 1 707 136 136 ALA N N 113.688 0.07 1 708 137 137 VAL H H 8.760 0.00 1 709 137 137 VAL C C 173.057 0.05 1 710 137 137 VAL CA C 60.445 0.15 1 711 137 137 VAL CB C 35.103 0.00 1 712 137 137 VAL N N 120.704 0.07 1 713 138 138 ILE H H 9.129 0.01 1 714 138 138 ILE C C 171.506 0.05 1 715 138 138 ILE CA C 57.896 0.19 1 716 138 138 ILE CB C 42.286 0.00 1 717 138 138 ILE N N 125.295 0.09 1 718 139 139 ILE H H 8.416 0.00 1 719 139 139 ILE C C 174.881 0.00 1 720 139 139 ILE CA C 58.651 0.02 1 721 139 139 ILE N N 122.983 0.10 1 722 140 140 VAL H H 9.411 0.01 1 723 140 140 VAL CA C 60.431 0.00 1 724 140 140 VAL N N 131.469 0.10 1 725 141 141 GLY C C 174.505 0.00 1 726 141 141 GLY CA C 46.476 0.01 1 727 142 142 ALA H H 7.720 0.00 1 728 142 142 ALA CA C 52.614 0.08 1 729 142 142 ALA CB C 22.058 0.00 1 730 142 142 ALA N N 121.109 0.05 1 731 143 143 LEU C C 178.888 0.00 1 732 143 143 LEU CA C 54.401 0.04 1 733 144 144 SER H H 8.110 0.00 1 734 144 144 SER CA C 56.276 0.03 1 735 144 144 SER CB C 63.307 0.00 1 736 144 144 SER N N 116.517 0.07 1 737 146 146 GLY C C 173.860 0.19 1 738 146 146 GLY CA C 45.236 0.14 1 739 147 147 GLN H H 7.760 0.00 1 740 147 147 GLN C C 175.497 0.00 1 741 147 147 GLN CA C 54.993 0.04 1 742 147 147 GLN CB C 28.889 0.00 1 743 147 147 GLN N N 121.448 0.11 1 744 149 149 PRO C C 177.184 0.00 1 745 149 149 PRO CA C 62.650 0.00 1 746 150 150 CYS H H 8.766 0.00 1 747 150 150 CYS CA C 62.421 0.00 1 748 150 150 CYS N N 117.558 0.09 1 749 151 151 SER C C 175.152 0.00 1 750 151 151 SER CA C 59.343 0.11 1 751 151 151 SER CB C 62.056 0.00 1 752 152 152 ALA H H 7.740 0.00 1 753 152 152 ALA HB H 1.263 0.00 1 754 152 152 ALA C C 178.188 0.00 1 755 152 152 ALA CA C 52.888 0.14 1 756 152 152 ALA CB C 19.517 0.06 1 757 152 152 ALA N N 122.611 0.06 1 758 153 153 ILE H H 7.590 0.00 1 759 153 153 ILE C C 174.693 0.00 1 760 153 153 ILE CA C 65.424 0.07 1 761 153 153 ILE CB C 33.260 0.00 1 762 153 153 ILE N N 117.649 0.08 1 763 154 154 PRO C C 178.352 0.00 1 764 154 154 PRO CA C 66.016 0.13 1 765 154 154 PRO CB C 30.488 0.00 1 766 155 155 GLU H H 7.255 0.00 1 767 155 155 GLU C C 177.349 0.03 1 768 155 155 GLU CA C 58.456 0.17 1 769 155 155 GLU CB C 30.110 0.06 1 770 155 155 GLU N N 118.728 0.09 1 771 156 156 LEU H H 7.364 0.00 1 772 156 156 LEU C C 178.250 0.01 1 773 156 156 LEU CA C 58.081 0.33 1 774 156 156 LEU CB C 40.331 0.15 1 775 156 156 LEU N N 116.956 0.06 1 776 157 157 LEU H H 7.235 0.01 1 777 157 157 LEU C C 179.454 0.06 1 778 157 157 LEU CA C 57.377 0.21 1 779 157 157 LEU CB C 41.952 0.23 1 780 157 157 LEU N N 115.953 0.14 1 781 158 158 ARG H H 8.097 0.00 1 782 158 158 ARG C C 178.492 0.03 1 783 158 158 ARG CA C 60.295 0.03 1 784 158 158 ARG CB C 30.397 0.11 1 785 158 158 ARG N N 121.935 0.12 1 786 159 159 VAL H H 7.065 0.00 1 787 159 159 VAL C C 175.390 0.03 1 788 159 159 VAL CA C 63.090 0.21 1 789 159 159 VAL CB C 31.641 0.00 1 790 159 159 VAL N N 104.496 0.09 1 791 160 160 THR H H 7.573 0.01 1 792 160 160 THR C C 174.443 0.00 1 793 160 160 THR CA C 64.928 0.10 1 794 160 160 THR CB C 68.244 0.10 1 795 160 160 THR N N 123.739 0.10 1 796 161 161 LYS H H 9.328 0.01 1 797 161 161 LYS C C 174.731 0.01 1 798 161 161 LYS CA C 56.340 0.02 1 799 161 161 LYS CB C 32.730 0.00 1 800 161 161 LYS N N 128.281 0.13 1 801 162 162 PRO C C 177.724 0.00 1 802 162 162 PRO CA C 64.855 0.05 1 803 162 162 PRO CB C 31.715 0.00 1 804 163 163 GLY H H 7.608 0.01 1 805 163 163 GLY C C 173.739 0.08 1 806 163 163 GLY CA C 46.000 0.01 1 807 163 163 GLY N N 115.261 0.06 1 808 164 164 GLY H H 8.822 0.00 1 809 164 164 GLY C C 172.298 0.05 1 810 164 164 GLY CA C 44.134 0.16 1 811 164 164 GLY N N 109.371 0.06 1 812 165 165 LEU H H 7.672 0.00 1 813 165 165 LEU C C 175.359 0.03 1 814 165 165 LEU CA C 53.560 0.06 1 815 165 165 LEU CB C 46.266 0.11 1 816 165 165 LEU N N 116.418 0.09 1 817 166 166 VAL H H 9.138 0.01 1 818 166 166 VAL C C 174.378 0.04 1 819 166 166 VAL CA C 60.741 0.25 1 820 166 166 VAL CB C 33.463 0.00 1 821 166 166 VAL N N 119.060 0.07 1 822 167 167 CYS H H 9.379 0.01 1 823 167 167 CYS C C 172.268 0.04 1 824 167 167 CYS CA C 56.462 0.07 1 825 167 167 CYS CB C 28.480 0.11 1 826 167 167 CYS N N 128.893 0.12 1 827 168 168 LEU H H 9.412 0.01 1 828 168 168 LEU C C 175.073 0.04 1 829 168 168 LEU CA C 53.578 0.06 1 830 168 168 LEU CB C 44.782 0.00 1 831 168 168 LEU N N 126.015 0.07 1 832 169 169 THR H H 7.220 0.00 1 833 169 169 THR C C 174.268 0.00 1 834 169 169 THR CA C 59.796 0.00 1 835 169 169 THR N N 108.631 0.03 1 836 170 170 THR H H 8.388 0.01 1 837 170 170 THR CA C 62.560 0.00 1 838 170 170 THR N N 112.902 0.06 1 839 172 172 THR C C 173.765 0.00 1 840 172 172 THR CA C 59.606 0.04 1 841 172 172 THR CB C 66.788 0.00 1 842 173 173 ASN H H 8.506 0.00 1 843 173 173 ASN CA C 52.469 0.12 1 844 173 173 ASN CB C 34.942 0.00 1 845 173 173 ASN N N 117.411 0.07 1 846 178 178 PRO C C 179.711 0.00 1 847 178 178 PRO CA C 66.304 0.07 1 848 178 178 PRO CB C 30.591 0.00 1 849 179 179 TYR H H 7.915 0.00 1 850 179 179 TYR C C 177.363 0.00 1 851 179 179 TYR N N 120.280 0.09 1 852 180 180 LYS H H 8.835 0.02 1 853 180 180 LYS C C 177.875 0.00 1 854 180 180 LYS CA C 60.200 0.07 1 855 180 180 LYS CB C 32.664 0.00 1 856 180 180 LYS N N 122.568 0.07 1 857 181 181 GLU H H 8.467 0.00 1 858 181 181 GLU C C 180.014 0.01 1 859 181 181 GLU CA C 59.748 0.12 1 860 181 181 GLU CB C 28.919 0.07 1 861 181 181 GLU N N 118.905 0.07 1 862 182 182 THR H H 7.827 0.00 1 863 182 182 THR C C 177.009 0.00 1 864 182 182 THR CA C 65.951 0.18 1 865 182 182 THR CB C 68.173 0.09 1 866 182 182 THR N N 118.126 0.07 1 867 183 183 LEU H H 9.075 0.00 1 868 183 183 LEU HA H 3.657 0.00 1 869 183 183 LEU C C 178.635 0.09 1 870 183 183 LEU CA C 58.946 0.11 1 871 183 183 LEU CB C 40.974 0.07 1 872 183 183 LEU N N 128.276 0.08 1 873 184 184 GLU H H 8.856 0.00 1 874 184 184 GLU C C 178.274 0.01 1 875 184 184 GLU CA C 60.375 0.09 1 876 184 184 GLU CB C 28.401 0.00 1 877 184 184 GLU N N 119.232 0.08 1 878 185 185 ALA H H 7.830 0.01 1 879 185 185 ALA HB H 1.540 0.00 1 880 185 185 ALA C C 181.255 0.02 1 881 185 185 ALA CA C 55.234 0.11 1 882 185 185 ALA CB C 17.571 0.13 1 883 185 185 ALA N N 121.122 0.07 1 884 186 186 THR H H 7.841 0.00 1 885 186 186 THR C C 176.258 0.00 1 886 186 186 THR CA C 67.219 0.13 1 887 186 186 THR CB C 68.290 0.12 1 888 186 186 THR N N 118.502 0.07 1 889 187 187 LEU H H 8.620 0.01 1 890 187 187 LEU C C 180.082 0.04 1 891 187 187 LEU CA C 59.153 0.07 1 892 187 187 LEU CB C 39.115 0.00 1 893 187 187 LEU N N 122.517 0.09 1 894 188 188 ASP H H 8.668 0.00 1 895 188 188 ASP HB2 H 2.673 0.00 2 896 188 188 ASP HB3 H 2.555 0.00 2 897 188 188 ASP C C 178.915 0.02 1 898 188 188 ASP CA C 57.077 0.11 1 899 188 188 ASP CB C 41.004 0.09 1 900 188 188 ASP N N 118.219 0.07 1 901 189 189 SER H H 8.096 0.01 1 902 189 189 SER HA H 4.739 0.00 1 903 189 189 SER C C 177.633 0.00 1 904 189 189 SER CA C 61.983 0.21 1 905 189 189 SER CB C 62.552 0.00 1 906 189 189 SER N N 116.515 0.09 1 907 190 190 LEU H H 7.495 0.00 1 908 190 190 LEU HA H 4.012 0.00 1 909 190 190 LEU C C 178.471 0.01 1 910 190 190 LEU CA C 57.804 0.14 1 911 190 190 LEU CB C 41.065 0.00 1 912 190 190 LEU N N 123.120 0.11 1 913 191 191 GLU H H 8.251 0.00 1 914 191 191 GLU C C 180.981 0.01 1 915 191 191 GLU CA C 60.218 0.10 1 916 191 191 GLU CB C 29.639 0.00 1 917 191 191 GLU N N 121.939 0.05 1 918 192 192 ARG H H 9.062 0.00 1 919 192 192 ARG HA H 4.156 0.00 1 920 192 192 ARG C C 178.209 0.07 1 921 192 192 ARG CA C 59.268 0.15 1 922 192 192 ARG CB C 29.885 0.11 1 923 192 192 ARG N N 121.890 0.07 1 924 193 193 ALA H H 7.496 0.00 1 925 193 193 ALA HA H 4.360 0.00 1 926 193 193 ALA HB H 1.558 0.01 1 927 193 193 ALA C C 178.108 0.00 1 928 193 193 ALA CA C 52.562 0.05 1 929 193 193 ALA CB C 18.818 0.16 1 930 193 193 ALA N N 118.847 0.07 1 931 194 194 GLY H H 8.053 0.00 1 932 194 194 GLY HA2 H 4.209 0.00 2 933 194 194 GLY HA3 H 4.209 0.00 2 934 194 194 GLY C C 175.183 0.03 1 935 194 194 GLY CA C 45.272 0.17 1 936 194 194 GLY N N 106.043 0.08 1 937 195 195 VAL H H 7.463 0.01 1 938 195 195 VAL HA H 4.137 0.00 1 939 195 195 VAL C C 176.577 0.03 1 940 195 195 VAL CA C 63.127 0.17 1 941 195 195 VAL CB C 31.542 0.17 1 942 195 195 VAL N N 111.763 0.06 1 943 196 196 TRP H H 7.794 0.00 1 944 196 196 TRP HA H 5.434 0.00 1 945 196 196 TRP C C 173.560 0.01 1 946 196 196 TRP CA C 53.686 0.03 1 947 196 196 TRP CB C 30.815 0.08 1 948 196 196 TRP N N 114.751 0.08 1 949 197 197 GLU H H 8.818 0.00 1 950 197 197 GLU HA H 5.006 0.01 1 951 197 197 GLU HB2 H 1.965 0.00 2 952 197 197 GLU HB3 H 1.965 0.00 2 953 197 197 GLU C C 173.975 0.01 1 954 197 197 GLU CA C 54.070 0.16 1 955 197 197 GLU CB C 33.480 0.15 1 956 197 197 GLU N N 118.148 0.08 1 957 198 198 CYS H H 8.772 0.00 1 958 198 198 CYS C C 174.728 0.01 1 959 198 198 CYS CA C 60.070 0.13 1 960 198 198 CYS CB C 27.197 0.08 1 961 198 198 CYS N N 126.127 0.10 1 962 199 199 LEU H H 9.031 0.00 1 963 199 199 LEU HA H 4.368 0.00 1 964 199 199 LEU C C 176.984 0.00 1 965 199 199 LEU CA C 55.961 0.06 1 966 199 199 LEU CB C 43.077 0.00 1 967 199 199 LEU N N 130.008 0.08 1 968 200 200 VAL H H 7.629 0.00 1 969 200 200 VAL HA H 4.226 0.00 1 970 200 200 VAL C C 173.792 0.01 1 971 200 200 VAL CA C 61.337 0.10 1 972 200 200 VAL CB C 36.657 0.17 1 973 200 200 VAL N N 117.665 0.10 1 974 201 201 THR H H 7.929 0.01 1 975 201 201 THR C C 173.664 0.11 1 976 201 201 THR CA C 61.474 0.05 1 977 201 201 THR CB C 70.311 0.01 1 978 201 201 THR N N 120.007 0.07 1 979 202 202 GLN H H 9.254 0.01 1 980 202 202 GLN CA C 51.857 0.00 1 981 202 202 GLN CB C 31.454 0.00 1 982 202 202 GLN N N 125.921 0.11 1 983 203 203 PRO C C 176.480 0.00 1 984 203 203 PRO CA C 62.270 0.11 1 985 203 203 PRO CB C 32.152 0.00 1 986 204 204 VAL H H 8.559 0.01 1 987 204 204 VAL C C 178.696 0.00 1 988 204 204 VAL CA C 61.373 0.00 1 989 204 204 VAL N N 123.325 0.08 1 990 205 205 ASP C C 175.855 0.00 1 991 205 205 ASP CA C 52.511 0.04 1 992 205 205 ASP CB C 41.985 0.00 1 993 206 206 HIS H H 7.534 0.01 1 994 206 206 HIS C C 176.177 0.00 1 995 206 206 HIS CA C 59.413 0.00 1 996 206 206 HIS N N 120.483 0.11 1 997 208 208 GLU HB2 H 1.739 0.00 2 998 208 208 GLU HB3 H 1.739 0.00 2 999 208 208 GLU C C 176.460 0.01 1 1000 208 208 GLU CA C 56.643 0.21 1 1001 208 208 GLU CB C 32.651 0.10 1 1002 209 209 LEU H H 7.980 0.00 1 1003 209 209 LEU HB2 H 1.546 0.00 2 1004 209 209 LEU HB3 H 1.546 0.00 2 1005 209 209 LEU C C 176.897 0.13 1 1006 209 209 LEU CA C 55.206 0.10 1 1007 209 209 LEU CB C 42.356 0.28 1 1008 209 209 LEU N N 121.575 0.12 1 1009 210 210 ALA H H 8.307 0.00 1 1010 210 210 ALA HA H 3.986 0.00 1 1011 210 210 ALA HB H 1.255 0.01 1 1012 210 210 ALA C C 177.339 0.20 1 1013 210 210 ALA CA C 52.265 0.09 1 1014 210 210 ALA CB C 19.238 0.19 1 1015 210 210 ALA N N 126.164 0.05 1 1016 211 211 THR H H 8.058 0.01 1 1017 211 211 THR HA H 4.361 0.00 1 1018 211 211 THR HB H 4.260 0.00 1 1019 211 211 THR C C 174.648 0.02 1 1020 211 211 THR CA C 61.399 0.11 1 1021 211 211 THR CB C 69.815 0.12 1 1022 211 211 THR N N 112.682 0.09 1 1023 212 212 SER H H 8.276 0.01 1 1024 212 212 SER HA H 4.437 0.01 1 1025 212 212 SER HB2 H 3.911 0.01 2 1026 212 212 SER HB3 H 3.843 0.01 2 1027 212 212 SER C C 174.824 0.00 1 1028 212 212 SER CA C 58.514 0.06 1 1029 212 212 SER CB C 63.728 0.11 1 1030 212 212 SER N N 117.012 0.09 1 1031 213 213 GLU H H 8.493 0.00 1 1032 213 213 GLU HA H 4.234 0.00 1 1033 213 213 GLU HB2 H 2.041 0.00 2 1034 213 213 GLU HB3 H 1.940 0.00 2 1035 213 213 GLU C C 176.631 0.09 1 1036 213 213 GLU CA C 57.185 0.13 1 1037 213 213 GLU CB C 29.671 0.11 1 1038 213 213 GLU N N 122.204 0.09 1 1039 214 214 GLN H H 8.134 0.00 1 1040 214 214 GLN HA H 4.281 0.01 1 1041 214 214 GLN HB2 H 2.084 0.01 2 1042 214 214 GLN HB3 H 1.984 0.01 2 1043 214 214 GLN C C 176.152 0.02 1 1044 214 214 GLN CA C 56.254 0.05 1 1045 214 214 GLN CB C 29.205 0.09 1 1046 214 214 GLN N N 119.270 0.07 1 1047 215 215 GLU H H 8.235 0.01 1 1048 215 215 GLU HA H 4.314 0.02 1 1049 215 215 GLU HB2 H 2.075 0.01 2 1050 215 215 GLU HB3 H 1.982 0.00 2 1051 215 215 GLU C C 176.764 0.01 1 1052 215 215 GLU CA C 56.767 0.19 1 1053 215 215 GLU CB C 30.104 0.09 1 1054 215 215 GLU N N 120.738 0.05 1 1055 216 216 THR H H 8.052 0.00 1 1056 216 216 THR HA H 4.311 0.01 1 1057 216 216 THR HB H 4.252 0.00 1 1058 216 216 THR C C 175.382 0.05 1 1059 216 216 THR CA C 62.083 0.25 1 1060 216 216 THR CB C 69.665 0.08 1 1061 216 216 THR N N 113.285 0.10 1 1062 217 217 GLY H H 8.348 0.00 1 1063 217 217 GLY HA2 H 3.974 0.01 2 1064 217 217 GLY HA3 H 3.974 0.01 2 1065 217 217 GLY C C 174.157 0.05 1 1066 217 217 GLY CA C 45.333 0.15 1 1067 217 217 GLY N N 110.701 0.05 1 1068 218 218 LEU H H 8.088 0.00 1 1069 218 218 LEU HA H 4.350 0.01 1 1070 218 218 LEU HB2 H 1.603 0.01 2 1071 218 218 LEU HB3 H 1.603 0.01 2 1072 218 218 LEU HG H 1.588 0.00 1 1073 218 218 LEU HD1 H 0.858 0.01 2 1074 218 218 LEU C C 177.926 0.01 1 1075 218 218 LEU CA C 55.276 0.07 1 1076 218 218 LEU CB C 42.142 0.15 1 1077 218 218 LEU CG C 26.895 0.02 1 1078 218 218 LEU CD1 C 24.670 0.05 2 1079 218 218 LEU N N 121.294 0.07 1 1080 219 219 GLY H H 8.442 0.00 1 1081 219 219 GLY HA2 H 3.986 0.01 2 1082 219 219 GLY HA3 H 3.986 0.01 2 1083 219 219 GLY C C 174.438 0.02 1 1084 219 219 GLY CA C 45.281 0.14 1 1085 219 219 GLY N N 109.245 0.07 1 1086 220 220 THR H H 7.995 0.00 1 1087 220 220 THR HA H 4.335 0.02 1 1088 220 220 THR HB H 4.215 0.00 1 1089 220 220 THR HG2 H 1.199 0.00 1 1090 220 220 THR C C 174.674 0.01 1 1091 220 220 THR CA C 61.875 0.20 1 1092 220 220 THR CB C 69.591 0.10 1 1093 220 220 THR CG2 C 19.566 0.00 1 1094 220 220 THR N N 113.021 0.07 1 1095 221 221 CYS H H 8.368 0.01 1 1096 221 221 CYS HA H 4.497 0.01 1 1097 221 221 CYS HB3 H 2.946 0.00 2 1098 221 221 CYS C C 174.355 0.00 1 1099 221 221 CYS CA C 58.336 0.18 1 1100 221 221 CYS CB C 27.987 0.07 1 1101 221 221 CYS N N 120.838 0.11 1 1102 222 222 ALA H H 8.334 0.01 1 1103 222 222 ALA HA H 4.340 0.00 1 1104 222 222 ALA HB H 1.365 0.01 1 1105 222 222 ALA C C 177.599 0.03 1 1106 222 222 ALA CA C 52.731 0.00 1 1107 222 222 ALA CB C 19.248 0.00 1 1108 222 222 ALA N N 125.819 0.06 1 1109 223 223 ASN H H 8.474 0.01 1 1110 223 223 ASN HA H 4.735 0.02 1 1111 223 223 ASN HB2 H 2.925 0.02 2 1112 223 223 ASN HB3 H 2.730 0.01 2 1113 223 223 ASN HD21 H 7.454 0.00 2 1114 223 223 ASN HD22 H 6.896 0.00 2 1115 223 223 ASN C C 174.918 0.00 1 1116 223 223 ASN CA C 53.329 0.23 1 1117 223 223 ASN CB C 38.965 0.18 1 1118 223 223 ASN CG C 177.219 0.01 1 1119 223 223 ASN N N 118.154 0.09 1 1120 223 223 ASN ND2 N 112.532 0.00 1 1121 224 224 ASP H H 8.255 0.01 1 1122 224 224 ASP HA H 4.536 0.01 1 1123 224 224 ASP HB2 H 2.752 0.00 2 1124 224 224 ASP HB3 H 2.752 0.00 2 1125 224 224 ASP C C 175.804 0.00 1 1126 224 224 ASP CA C 54.704 0.05 1 1127 224 224 ASP CB C 40.866 0.11 1 1128 224 224 ASP N N 118.099 0.09 1 1129 225 225 GLY H H 8.154 0.00 1 1130 225 225 GLY HA2 H 3.942 0.00 2 1131 225 225 GLY HA3 H 3.942 0.00 2 1132 225 225 GLY C C 173.595 0.03 1 1133 225 225 GLY CA C 45.223 0.15 1 1134 225 225 GLY N N 106.026 0.09 1 1135 226 226 PHE H H 8.054 0.01 1 1136 226 226 PHE C C 176.399 0.00 1 1137 226 226 PHE CA C 57.760 0.19 1 1138 226 226 PHE N N 118.060 0.08 1 1139 228 228 SER C C 174.334 0.00 1 1140 228 228 SER CA C 58.008 0.00 1 1141 229 229 GLY H H 8.546 0.00 1 1142 229 229 GLY HA2 H 3.852 0.00 2 1143 229 229 GLY HA3 H 3.852 0.00 2 1144 229 229 GLY CA C 45.284 0.15 1 1145 229 229 GLY N N 107.028 0.04 1 1146 230 230 ILE H H 7.974 0.00 1 1147 230 230 ILE C C 176.957 0.00 1 1148 230 230 ILE CA C 57.708 0.07 1 1149 230 230 ILE CB C 39.330 0.00 1 1150 230 230 ILE N N 120.048 0.06 1 1151 231 231 ILE C C 173.461 0.00 1 1152 231 231 ILE CA C 59.898 0.07 1 1153 232 232 TYR H H 9.366 0.00 1 1154 232 232 TYR HA H 5.051 0.00 1 1155 232 232 TYR C C 174.841 0.00 1 1156 232 232 TYR CA C 55.769 0.19 1 1157 232 232 TYR CB C 41.199 0.09 1 1158 232 232 TYR N N 124.130 0.06 1 1159 233 233 LEU H H 8.668 0.01 1 1160 233 233 LEU HA H 5.479 0.01 1 1161 233 233 LEU HB2 H 1.789 0.00 2 1162 233 233 LEU HB3 H 1.222 0.00 2 1163 233 233 LEU C C 174.165 0.04 1 1164 233 233 LEU CA C 53.797 0.06 1 1165 233 233 LEU CB C 46.311 0.11 1 1166 233 233 LEU N N 122.555 0.08 1 1167 234 234 TYR H H 9.154 0.01 1 1168 234 234 TYR C C 173.852 0.00 1 1169 234 234 TYR CA C 56.307 0.15 1 1170 234 234 TYR CB C 44.456 0.00 1 1171 234 234 TYR N N 127.694 0.09 1 1172 235 235 ARG H H 8.953 0.00 1 1173 235 235 ARG HA H 5.417 0.00 1 1174 235 235 ARG C C 176.886 0.01 1 1175 235 235 ARG CA C 53.497 0.09 1 1176 235 235 ARG CB C 33.644 0.00 1 1177 235 235 ARG N N 119.770 0.11 1 1178 236 236 LYS H H 9.355 0.01 1 1179 236 236 LYS C C 176.211 0.06 1 1180 236 236 LYS CA C 57.726 0.07 1 1181 236 236 LYS CB C 33.578 0.00 1 1182 236 236 LYS N N 130.930 0.09 1 1183 237 237 GLN H H 8.082 0.00 1 1184 237 237 GLN HA H 4.330 0.00 1 1185 237 237 GLN HB2 H 2.114 0.00 2 1186 237 237 GLN HB3 H 1.976 0.00 2 1187 237 237 GLN C C 176.129 0.02 1 1188 237 237 GLN CA C 56.858 0.20 1 1189 237 237 GLN CB C 29.235 0.15 1 1190 237 237 GLN N N 127.735 0.09 1 1191 238 238 GLU H H 8.627 0.00 1 1192 238 238 GLU HA H 4.252 0.01 1 1193 238 238 GLU HB2 H 2.065 0.01 2 1194 238 238 GLU HB3 H 1.923 0.00 2 1195 238 238 GLU C C 176.099 0.00 1 1196 238 238 GLU CA C 56.802 0.17 1 1197 238 238 GLU CB C 30.669 0.16 1 1198 238 238 GLU N N 123.035 0.07 1 1199 239 239 THR H H 8.201 0.00 1 1200 239 239 THR HA H 4.363 0.01 1 1201 239 239 THR HB H 4.193 0.02 1 1202 239 239 THR HG2 H 1.184 0.00 1 1203 239 239 THR C C 173.546 0.02 1 1204 239 239 THR CA C 61.767 0.11 1 1205 239 239 THR CB C 69.691 0.12 1 1206 239 239 THR CG2 C 21.403 0.01 1 1207 239 239 THR N N 115.931 0.06 1 1208 240 240 VAL H H 7.753 0.00 1 1209 240 240 VAL HA H 4.056 0.00 1 1210 240 240 VAL HB H 2.067 0.00 1 1211 240 240 VAL HG1 H 0.884 0.00 2 1212 240 240 VAL C C 180.859 0.00 1 1213 240 240 VAL CA C 63.510 0.16 1 1214 240 240 VAL CB C 32.993 0.10 1 1215 240 240 VAL CG1 C 20.796 0.01 2 1216 240 240 VAL N N 126.645 0.06 1 stop_ save_