data_26949 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Early Response to Dehydration 10 (ERD10) from Arabidopsis thaliana ; _BMRB_accession_number 26949 _BMRB_flat_file_name bmr26949.str _Entry_type original _Submission_date 2016-11-21 _Accession_date 2016-11-21 _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 Cedeno Cesyen . . 2 Zerko Szymon . . 3 Tompa Peter . . 4 Kosminzki Wiktor . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 822 "13C chemical shifts" 661 "15N chemical shifts" 237 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-04-13 update BMRB 'update entry citation' 2017-02-20 original author 'original release' stop_ _Original_release_date 2016-11-22 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 15N,13C resonance assignment of plant dehydrin Early Response to Dehydration 10 (ERD10) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28275980 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cedeno Cesyen . . 2 Zerko Szymon . . 3 Tompa Peter . . 4 Kosminzki Wiktor . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 11 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 127 _Page_last 131 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name ERD10 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ERD10 $ERD10 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function Chaperone stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ERD10 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ERD10 _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'Cold stress related protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 260 _Mol_residue_sequence ; MAEEYKNTVPEQETPKVATE ESSAPEIKERGMFDFLKKKE EVKPQETTTLASEFEHKTQI SEPESFVAKHEEEEHKPTLL EQLHQKHEEEEENKPSLLDK LHRSNSSSSSSSDEEGEDGE KKKKEKKKKIVEGDHVKTVE EENQGVMDRIKEKFPLGEKP GGDDVPVVTTMPAPHSVEDH KPEEEEKKGFMDKIKEKLPG HSKKPEDSQVVNTTPLVETA TPIADIPEEKKGFMDKIKEK LPGYHAKTTGEEEKKEKVSD ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 GLU 4 GLU 5 TYR 6 LYS 7 ASN 8 THR 9 VAL 10 PRO 11 GLU 12 GLN 13 GLU 14 THR 15 PRO 16 LYS 17 VAL 18 ALA 19 THR 20 GLU 21 GLU 22 SER 23 SER 24 ALA 25 PRO 26 GLU 27 ILE 28 LYS 29 GLU 30 ARG 31 GLY 32 MET 33 PHE 34 ASP 35 PHE 36 LEU 37 LYS 38 LYS 39 LYS 40 GLU 41 GLU 42 VAL 43 LYS 44 PRO 45 GLN 46 GLU 47 THR 48 THR 49 THR 50 LEU 51 ALA 52 SER 53 GLU 54 PHE 55 GLU 56 HIS 57 LYS 58 THR 59 GLN 60 ILE 61 SER 62 GLU 63 PRO 64 GLU 65 SER 66 PHE 67 VAL 68 ALA 69 LYS 70 HIS 71 GLU 72 GLU 73 GLU 74 GLU 75 HIS 76 LYS 77 PRO 78 THR 79 LEU 80 LEU 81 GLU 82 GLN 83 LEU 84 HIS 85 GLN 86 LYS 87 HIS 88 GLU 89 GLU 90 GLU 91 GLU 92 GLU 93 ASN 94 LYS 95 PRO 96 SER 97 LEU 98 LEU 99 ASP 100 LYS 101 LEU 102 HIS 103 ARG 104 SER 105 ASN 106 SER 107 SER 108 SER 109 SER 110 SER 111 SER 112 SER 113 ASP 114 GLU 115 GLU 116 GLY 117 GLU 118 ASP 119 GLY 120 GLU 121 LYS 122 LYS 123 LYS 124 LYS 125 GLU 126 LYS 127 LYS 128 LYS 129 LYS 130 ILE 131 VAL 132 GLU 133 GLY 134 ASP 135 HIS 136 VAL 137 LYS 138 THR 139 VAL 140 GLU 141 GLU 142 GLU 143 ASN 144 GLN 145 GLY 146 VAL 147 MET 148 ASP 149 ARG 150 ILE 151 LYS 152 GLU 153 LYS 154 PHE 155 PRO 156 LEU 157 GLY 158 GLU 159 LYS 160 PRO 161 GLY 162 GLY 163 ASP 164 ASP 165 VAL 166 PRO 167 VAL 168 VAL 169 THR 170 THR 171 MET 172 PRO 173 ALA 174 PRO 175 HIS 176 SER 177 VAL 178 GLU 179 ASP 180 HIS 181 LYS 182 PRO 183 GLU 184 GLU 185 GLU 186 GLU 187 LYS 188 LYS 189 GLY 190 PHE 191 MET 192 ASP 193 LYS 194 ILE 195 LYS 196 GLU 197 LYS 198 LEU 199 PRO 200 GLY 201 HIS 202 SER 203 LYS 204 LYS 205 PRO 206 GLU 207 ASP 208 SER 209 GLN 210 VAL 211 VAL 212 ASN 213 THR 214 THR 215 PRO 216 LEU 217 VAL 218 GLU 219 THR 220 ALA 221 THR 222 PRO 223 ILE 224 ALA 225 ASP 226 ILE 227 PRO 228 GLU 229 GLU 230 LYS 231 LYS 232 GLY 233 PHE 234 MET 235 ASP 236 LYS 237 ILE 238 LYS 239 GLU 240 LYS 241 LEU 242 PRO 243 GLY 244 TYR 245 HIS 246 ALA 247 LYS 248 THR 249 THR 250 GLY 251 GLU 252 GLU 253 GLU 254 LYS 255 LYS 256 GLU 257 LYS 258 VAL 259 SER 260 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value UNP 42759 ERD10 . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic _Details $ERD10 'E. coli' 562 Bacteria . Escherichia coli BL21 erd10 'Recombinant protein from Arabidopsis thaliana' 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 _Details $ERD10 'recombinant technology' . Escherichia coli . pET22b 'No tag (a stop codon was intriduced his-tag)' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '50 mM MES; pH = 6.5; (NO NaCl).' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ERD10 250 uM '[U-100% 13C; U-100% 15N]' MES 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model 'Uniform NMR System' _Field_strength 800 _Details 'Direct Drive 2' save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_5D_(HACA)CON(CA)CONH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '5D (HACA)CON(CA)CONH' _Sample_label $sample_1 save_ save_5D_HN(CA)CONH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '5D HN(CA)CONH' _Sample_label $sample_1 save_ save_5D_(H)NCO(NCA)CONH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '5D (H)NCO(NCA)CONH' _Sample_label $sample_1 save_ save_5D_HabCabCONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '5D HabCabCONH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 288 . 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_ _Experiment_label '3D HNCO' '5D (HACA)CON(CA)CONH' '5D HN(CA)CONH' '5D (H)NCO(NCA)CONH' '5D HabCabCONH' 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 ERD10 _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 4.042 . . 2 2 2 ALA HB H 1.467 . . 3 2 2 ALA C C 173.593 . . 4 2 2 ALA CA C 51.711 . . 5 2 2 ALA CB C 19.26 . . 6 3 3 GLU H H 8.7 . . 7 3 3 GLU HA H 4.224 . . 8 3 3 GLU HB2 H 1.916 . . 9 3 3 GLU HB3 H 1.821 . . 10 3 3 GLU C C 176.023 . . 11 3 3 GLU CA C 56.189 . . 12 3 3 GLU CB C 30.104 . . 13 3 3 GLU N N 120.108 . . 14 4 4 GLU H H 8.597 . . 15 4 4 GLU HA H 4.162 . . 16 4 4 GLU HB2 H 1.827 . . 17 4 4 GLU HB3 H 1.827 . . 18 4 4 GLU C C 176.023 . . 19 4 4 GLU CA C 56.49 . . 20 4 4 GLU CB C 30.394 . . 21 4 4 GLU N N 122.819 . . 22 5 5 TYR H H 8.388 . . 23 5 5 TYR HA H 4.464 . . 24 5 5 TYR HB2 H 2.932 . . 25 5 5 TYR HB3 H 2.932 . . 26 5 5 TYR C C 175.56 . . 27 5 5 TYR CA C 57.954 . . 28 5 5 TYR CB C 38.485 . . 29 5 5 TYR N N 122.187 . . 30 6 6 LYS H H 8.142 . . 31 6 6 LYS HA H 4.22 . . 32 6 6 LYS HB2 H 1.7 . . 33 6 6 LYS HB3 H 1.602 . . 34 6 6 LYS C C 175.622 . . 35 6 6 LYS CA C 55.792 . . 36 6 6 LYS CB C 33.284 . . 37 6 6 LYS N N 123.934 . . 38 7 7 ASN H H 8.38 . . 39 7 7 ASN HA H 4.644 . . 40 7 7 ASN HB2 H 2.776 . . 41 7 7 ASN HB3 H 2.69 . . 42 7 7 ASN C C 175.277 . . 43 7 7 ASN CA C 53.135 . . 44 7 7 ASN CB C 38.793 . . 45 7 7 ASN N N 120.289 . . 46 8 8 THR H H 8.142 . . 47 8 8 THR HA H 4.269 . . 48 8 8 THR HB H 4.131 . . 49 8 8 THR C C 174.272 . . 50 8 8 THR CA C 61.782 . . 51 8 8 THR CB C 69.807 . . 52 8 8 THR N N 115.227 . . 53 9 9 VAL H H 8.215 . . 54 9 9 VAL C C 174.388 . . 55 9 9 VAL N N 124.236 . . 56 10 10 PRO HA H 4.33 . . 57 10 10 PRO HB2 H 2.245 . . 58 10 10 PRO HB3 H 1.83 . . 59 10 10 PRO C C 176.985 . . 60 10 10 PRO CA C 63.212 . . 61 10 10 PRO CB C 32.153 . . 62 10 10 PRO N N 139.5 . . 63 11 11 GLU H H 8.556 . . 64 11 11 GLU HA H 4.147 . . 65 11 11 GLU HB2 H 1.972 . . 66 11 11 GLU HB3 H 1.887 . . 67 11 11 GLU C C 176.615 . . 68 11 11 GLU CA C 56.828 . . 69 11 11 GLU CB C 30.067 . . 70 11 11 GLU N N 121.253 . . 71 12 12 GLN H H 8.421 . . 72 12 12 GLN HA H 4.266 . . 73 12 12 GLN HB2 H 2.044 . . 74 12 12 GLN HB3 H 1.926 . . 75 12 12 GLN C C 175.783 . . 76 12 12 GLN CA C 55.647 . . 77 12 12 GLN CB C 29.662 . . 78 12 12 GLN N N 121.102 . . 79 13 13 GLU H H 8.487 . . 80 13 13 GLU HA H 4.275 . . 81 13 13 GLU HB2 H 1.965 . . 82 13 13 GLU HB3 H 1.864 . . 83 13 13 GLU C C 176.368 . . 84 13 13 GLU CA C 56.281 . . 85 13 13 GLU CB C 30.414 . . 86 13 13 GLU N N 122.88 . . 87 14 14 THR H H 8.369 . . 88 14 14 THR C C 172.656 . . 89 14 14 THR N N 119.355 . . 90 15 15 PRO HA H 4.338 . . 91 15 15 PRO HB2 H 2.252 . . 92 15 15 PRO HB3 H 1.799 . . 93 15 15 PRO C C 176.72 . . 94 15 15 PRO CA C 63.11 . . 95 15 15 PRO CB C 32.181 . . 96 15 15 PRO N N 139.389 . . 97 16 16 LYS H H 8.512 . . 98 16 16 LYS HA H 4.263 . . 99 16 16 LYS HB2 H 1.712 . . 100 16 16 LYS HB3 H 1.712 . . 101 16 16 LYS C C 176.64 . . 102 16 16 LYS CA C 56.039 . . 103 16 16 LYS CB C 33.01 . . 104 16 16 LYS N N 122.94 . . 105 17 17 VAL H H 8.233 . . 106 17 17 VAL HA H 4.048 . . 107 17 17 VAL HB H 1.984 . . 108 17 17 VAL C C 175.776 . . 109 17 17 VAL CA C 61.93 . . 110 17 17 VAL CB C 32.914 . . 111 17 17 VAL N N 122.337 . . 112 18 18 ALA H H 8.523 . . 113 18 18 ALA HA H 4.335 . . 114 18 18 ALA HB H 1.349 . . 115 18 18 ALA C C 177.787 . . 116 18 18 ALA CA C 52.438 . . 117 18 18 ALA CB C 19.233 . . 118 18 18 ALA N N 128.755 . . 119 19 19 THR H H 8.186 . . 120 19 19 THR HA H 4.259 . . 121 19 19 THR HB H 4.174 . . 122 19 19 THR C C 174.623 . . 123 19 19 THR CA C 61.73 . . 124 19 19 THR CB C 69.842 . . 125 19 19 THR N N 114.142 . . 126 20 20 GLU H H 8.512 . . 127 20 20 GLU HA H 4.259 . . 128 20 20 GLU HB2 H 2.012 . . 129 20 20 GLU HB3 H 1.888 . . 130 20 20 GLU C C 176.529 . . 131 20 20 GLU CA C 56.54 . . 132 20 20 GLU CB C 30.234 . . 133 20 20 GLU N N 123.302 . . 134 21 21 GLU H H 8.527 . . 135 21 21 GLU HA H 4.241 . . 136 21 21 GLU HB2 H 2.014 . . 137 21 21 GLU HB3 H 1.896 . . 138 21 21 GLU C C 176.652 . . 139 21 21 GLU CA C 56.669 . . 140 21 21 GLU CB C 30.23 . . 141 21 21 GLU N N 122.548 . . 142 22 22 SER H H 8.417 . . 143 22 22 SER HA H 4.413 . . 144 22 22 SER HB2 H 3.823 . . 145 22 22 SER HB3 H 3.823 . . 146 22 22 SER C C 174.512 . . 147 22 22 SER CA C 58.398 . . 148 22 22 SER CB C 63.783 . . 149 22 22 SER N N 117.095 . . 150 23 23 SER H H 8.325 . . 151 23 23 SER HA H 4.421 . . 152 23 23 SER HB2 H 3.814 . . 153 23 23 SER HB3 H 3.814 . . 154 23 23 SER C C 173.723 . . 155 23 23 SER CA C 58.077 . . 156 23 23 SER CB C 63.913 . . 157 23 23 SER N N 118.059 . . 158 24 24 ALA H H 8.3 . . 159 24 24 ALA C C 175.552 . . 160 24 24 ALA N N 127.098 . . 161 25 25 PRO HA H 4.322 . . 162 25 25 PRO HB2 H 2.236 . . 163 25 25 PRO HB3 H 1.835 . . 164 25 25 PRO C C 177.022 . . 165 25 25 PRO CA C 63.364 . . 166 25 25 PRO CB C 31.966 . . 167 25 25 PRO N N 136.015 . . 168 26 26 GLU H H 8.571 . . 169 26 26 GLU HA H 4.169 . . 170 26 26 GLU HB2 H 1.916 . . 171 26 26 GLU HB3 H 1.916 . . 172 26 26 GLU C C 176.661 . . 173 26 26 GLU CA C 56.792 . . 174 26 26 GLU CB C 30.011 . . 175 26 26 GLU N N 120.831 . . 176 27 27 ILE H H 8.216 . . 177 27 27 ILE HA H 4.034 . . 178 27 27 ILE HB H 1.827 . . 179 27 27 ILE C C 176.535 . . 180 27 27 ILE CA C 61.341 . . 181 27 27 ILE CB C 38.13 . . 182 27 27 ILE N N 123.089 . . 183 28 28 LYS H H 8.34 . . 184 28 28 LYS HA H 4.237 . . 185 28 28 LYS HB2 H 1.739 . . 186 28 28 LYS HB3 H 1.739 . . 187 28 28 LYS C C 176.751 . . 188 28 28 LYS CA C 56.508 . . 189 28 28 LYS CB C 32.968 . . 190 28 28 LYS N N 125.441 . . 191 29 29 GLU H H 8.362 . . 192 29 29 GLU HA H 4.188 . . 193 29 29 GLU HB2 H 1.992 . . 194 29 29 GLU HB3 H 1.992 . . 195 29 29 GLU C C 176.615 . . 196 29 29 GLU CA C 56.781 . . 197 29 29 GLU CB C 29.938 . . 198 29 29 GLU N N 121.494 . . 199 30 30 ARG H H 8.362 . . 200 30 30 ARG HA H 4.215 . . 201 30 30 ARG HB2 H 1.829 . . 202 30 30 ARG HB3 H 1.756 . . 203 30 30 ARG C C 177.028 . . 204 30 30 ARG CA C 56.64 . . 205 30 30 ARG CB C 30.647 . . 206 30 30 ARG N N 121.976 . . 207 31 31 GLY H H 8.476 . . 208 31 31 GLY HA2 H 3.932 . . 209 31 31 GLY HA3 H 3.829 . . 210 31 31 GLY C C 174.481 . . 211 31 31 GLY CA C 45.395 . . 212 31 31 GLY N N 109.683 . . 213 32 32 MET H H 8.134 . . 214 32 32 MET HA H 4.305 . . 215 32 32 MET HB2 H 1.841 . . 216 32 32 MET HB3 H 1.841 . . 217 32 32 MET C C 176.301 . . 218 32 32 MET CA C 55.963 . . 219 32 32 MET CB C 32.488 . . 220 32 32 MET N N 119.686 . . 221 33 33 PHE H H 8.223 . . 222 33 33 PHE HA H 4.495 . . 223 33 33 PHE HB2 H 3.055 . . 224 33 33 PHE HB3 H 2.858 . . 225 33 33 PHE C C 175.756 . . 226 33 33 PHE CA C 57.874 . . 227 33 33 PHE CB C 39.248 . . 228 33 33 PHE N N 119.927 . . 229 34 34 ASP H H 8.102 . . 230 34 34 ASP HA H 4.432 . . 231 34 34 ASP HB2 H 2.538 . . 232 34 34 ASP HB3 H 2.515 . . 233 34 34 ASP C C 176.368 . . 234 34 34 ASP CA C 54.73 . . 235 34 34 ASP CB C 40.752 . . 236 34 34 ASP N N 121.527 . . 237 35 35 PHE H H 8.017 . . 238 35 35 PHE HA H 4.427 . . 239 35 35 PHE HB2 H 3.082 . . 240 35 35 PHE HB3 H 3.082 . . 241 35 35 PHE C C 176.066 . . 242 35 35 PHE CA C 58.494 . . 243 35 35 PHE CB C 39.066 . . 244 35 35 PHE N N 120.078 . . 245 36 36 LEU H H 7.962 . . 246 36 36 LEU HA H 4.158 . . 247 36 36 LEU HB2 H 1.602 . . 248 36 36 LEU HB3 H 1.466 . . 249 36 36 LEU C C 177.355 . . 250 36 36 LEU CA C 55.355 . . 251 36 36 LEU CB C 42.008 . . 252 36 36 LEU N N 121.735 . . 253 37 37 LYS H H 7.929 . . 254 37 37 LYS HA H 4.151 . . 255 37 37 LYS HB2 H 1.708 . . 256 37 37 LYS HB3 H 1.708 . . 257 37 37 LYS C C 176.597 . . 258 37 37 LYS CA C 56.453 . . 259 37 37 LYS CB C 32.762 . . 260 37 37 LYS N N 121.644 . . 261 38 38 LYS H H 8.23 . . 262 38 38 LYS HA H 4.178 . . 263 38 38 LYS HB2 H 1.701 . . 264 38 38 LYS HB3 H 1.701 . . 265 38 38 LYS C C 176.627 . . 266 38 38 LYS CA C 56.319 . . 267 38 38 LYS CB C 32.953 . . 268 38 38 LYS N N 123.03 . . 269 39 39 LYS H H 8.355 . . 270 39 39 LYS HA H 4.182 . . 271 39 39 LYS HB2 H 1.718 . . 272 39 39 LYS HB3 H 1.718 . . 273 39 39 LYS C C 176.516 . . 274 39 39 LYS CA C 56.508 . . 275 39 39 LYS CB C 32.916 . . 276 39 39 LYS N N 123.482 . . 277 40 40 GLU H H 8.443 . . 278 40 40 GLU HA H 4.217 . . 279 40 40 GLU HB2 H 1.973 . . 280 40 40 GLU HB3 H 1.856 . . 281 40 40 GLU C C 176.245 . . 282 40 40 GLU CA C 56.288 . . 283 40 40 GLU CB C 30.31 . . 284 40 40 GLU N N 122.669 . . 285 41 41 GLU H H 8.439 . . 286 41 41 GLU HA H 4.244 . . 287 41 41 GLU HB2 H 1.959 . . 288 41 41 GLU HB3 H 1.863 . . 289 41 41 GLU C C 176.196 . . 290 41 41 GLU CA C 56.16 . . 291 41 41 GLU CB C 30.412 . . 292 41 41 GLU N N 122.97 . . 293 42 42 VAL H H 8.3 . . 294 42 42 VAL N N 122.85 . . 295 43 43 LYS C C 174.377 . . 296 44 44 PRO HA H 4.353 . . 297 44 44 PRO HB2 H 2.255 . . 298 44 44 PRO HB3 H 1.844 . . 299 44 44 PRO C C 176.88 . . 300 44 44 PRO CA C 63.015 . . 301 44 44 PRO CB C 32.111 . . 302 44 44 PRO N N 137.06 . . 303 45 45 GLN H H 8.556 . . 304 45 45 GLN HA H 4.219 . . 305 45 45 GLN HB2 H 2.03 . . 306 45 45 GLN HB3 H 1.937 . . 307 45 45 GLN C C 176.116 . . 308 45 45 GLN CA C 55.865 . . 309 45 45 GLN CB C 29.45 . . 310 45 45 GLN N N 120.951 . . 311 46 46 GLU H H 8.571 . . 312 46 46 GLU HA H 4.319 . . 313 46 46 GLU HB2 H 2.019 . . 314 46 46 GLU HB3 H 1.901 . . 315 46 46 GLU C C 176.634 . . 316 46 46 GLU CA C 56.492 . . 317 46 46 GLU CB C 30.362 . . 318 46 46 GLU N N 122.94 . . 319 47 47 THR H H 8.358 . . 320 47 47 THR HA H 4.356 . . 321 47 47 THR HB H 4.176 . . 322 47 47 THR C C 174.697 . . 323 47 47 THR CA C 61.874 . . 324 47 47 THR CB C 69.831 . . 325 47 47 THR N N 115.92 . . 326 48 48 THR H H 8.274 . . 327 48 48 THR HA H 4.367 . . 328 48 48 THR HB H 4.179 . . 329 48 48 THR C C 174.586 . . 330 48 48 THR CA C 61.878 . . 331 48 48 THR CB C 69.803 . . 332 48 48 THR N N 117.065 . . 333 49 49 THR H H 8.252 . . 334 49 49 THR HA H 4.277 . . 335 49 49 THR HB H 4.13 . . 336 49 49 THR C C 174.407 . . 337 49 49 THR CA C 61.944 . . 338 49 49 THR CB C 69.841 . . 339 49 49 THR N N 117.577 . . 340 50 50 LEU H H 8.358 . . 341 50 50 LEU HA H 4.286 . . 342 50 50 LEU HB2 H 1.558 . . 343 50 50 LEU HB3 H 1.558 . . 344 50 50 LEU C C 177.256 . . 345 50 50 LEU CA C 55.143 . . 346 50 50 LEU CB C 42.379 . . 347 50 50 LEU N N 125.471 . . 348 51 51 ALA H H 8.377 . . 349 51 51 ALA HA H 4.219 . . 350 51 51 ALA HB H 1.348 . . 351 51 51 ALA C C 178.108 . . 352 51 51 ALA CA C 52.827 . . 353 51 51 ALA CB C 18.985 . . 354 51 51 ALA N N 125.29 . . 355 52 52 SER H H 8.259 . . 356 52 52 SER HA H 4.311 . . 357 52 52 SER HB2 H 3.846 . . 358 52 52 SER HB3 H 3.764 . . 359 52 52 SER C C 175.061 . . 360 52 52 SER CA C 58.707 . . 361 52 52 SER CB C 63.621 . . 362 52 52 SER N N 114.925 . . 363 53 53 GLU H H 8.399 . . 364 53 53 GLU HA H 4.132 . . 365 53 53 GLU HB2 H 1.823 . . 366 53 53 GLU HB3 H 1.823 . . 367 53 53 GLU C C 176.449 . . 368 53 53 GLU CA C 57.097 . . 369 53 53 GLU CB C 29.838 . . 370 53 53 GLU N N 122.639 . . 371 54 54 PHE H H 8.046 . . 372 54 54 PHE HA H 4.515 . . 373 54 54 PHE HB2 H 3.127 . . 374 54 54 PHE HB3 H 2.918 . . 375 54 54 PHE C C 175.838 . . 376 54 54 PHE CA C 57.857 . . 377 54 54 PHE CB C 39.407 . . 378 54 54 PHE N N 119.596 . . 379 55 55 GLU H H 8.083 . . 380 55 55 GLU HA H 4.108 . . 381 55 55 GLU HB2 H 1.863 . . 382 55 55 GLU HB3 H 1.863 . . 383 55 55 GLU C C 176.072 . . 384 55 55 GLU CA C 56.709 . . 385 55 55 GLU CB C 30.269 . . 386 55 55 GLU N N 121.343 . . 387 56 56 HIS H H 8.45 . . 388 56 56 HIS HA H 4.604 . . 389 56 56 HIS HB2 H 3.19 . . 390 56 56 HIS HB3 H 3.104 . . 391 56 56 HIS C C 174.537 . . 392 56 56 HIS CA C 55.414 . . 393 56 56 HIS CB C 28.996 . . 394 56 56 HIS N N 119.987 . . 395 57 57 LYS H H 8.373 . . 396 57 57 LYS HA H 4.325 . . 397 57 57 LYS HB2 H 1.776 . . 398 57 57 LYS HB3 H 1.69 . . 399 57 57 LYS C C 176.658 . . 400 57 57 LYS CA C 56.308 . . 401 57 57 LYS CB C 33.123 . . 402 57 57 LYS N N 123.151 . . 403 58 58 THR H H 8.281 . . 404 58 58 THR HA H 4.225 . . 405 58 58 THR HB H 4.099 . . 406 58 58 THR C C 174.296 . . 407 58 58 THR CA C 62.115 . . 408 58 58 THR CB C 69.761 . . 409 58 58 THR N N 116.342 . . 410 59 59 GLN H H 8.457 . . 411 59 59 GLN HA H 4.321 . . 412 59 59 GLN HB2 H 2.026 . . 413 59 59 GLN HB3 H 1.916 . . 414 59 59 GLN C C 175.641 . . 415 59 59 GLN CA C 55.646 . . 416 59 59 GLN CB C 29.512 . . 417 59 59 GLN N N 123.603 . . 418 60 60 ILE H H 8.3 . . 419 60 60 ILE HA H 4.148 . . 420 60 60 ILE HB H 1.81 . . 421 60 60 ILE C C 176.153 . . 422 60 60 ILE CA C 61.058 . . 423 60 60 ILE CB C 38.773 . . 424 60 60 ILE N N 122.94 . . 425 61 61 SER H H 8.402 . . 426 61 61 SER HA H 4.424 . . 427 61 61 SER HB2 H 3.771 . . 428 61 61 SER HB3 H 3.771 . . 429 61 61 SER C C 173.889 . . 430 61 61 SER CA C 58.089 . . 431 61 61 SER CB C 63.869 . . 432 61 61 SER N N 120.439 . . 433 62 62 GLU H H 8.446 . . 434 62 62 GLU C C 174.52 . . 435 62 62 GLU N N 124.236 . . 436 63 63 PRO HA H 4.324 . . 437 63 63 PRO HB2 H 2.242 . . 438 63 63 PRO HB3 H 1.849 . . 439 63 63 PRO C C 177.071 . . 440 63 63 PRO CA C 63.276 . . 441 63 63 PRO CB C 32.056 . . 442 63 63 PRO N N 137.361 . . 443 64 64 GLU H H 8.597 . . 444 64 64 GLU HA H 4.146 . . 445 64 64 GLU HB2 H 1.893 . . 446 64 64 GLU HB3 H 1.893 . . 447 64 64 GLU C C 176.578 . . 448 64 64 GLU CA C 56.883 . . 449 64 64 GLU CB C 30.071 . . 450 64 64 GLU N N 121.102 . . 451 65 65 SER H H 8.281 . . 452 65 65 SER HA H 4.335 . . 453 65 65 SER HB2 H 3.749 . . 454 65 65 SER HB3 H 3.749 . . 455 65 65 SER C C 174.099 . . 456 65 65 SER CA C 58.219 . . 457 65 65 SER CB C 63.773 . . 458 65 65 SER N N 116.673 . . 459 66 66 PHE H H 8.255 . . 460 66 66 PHE HA H 4.545 . . 461 66 66 PHE HB2 H 3.022 . . 462 66 66 PHE HB3 H 3.022 . . 463 66 66 PHE C C 175.406 . . 464 66 66 PHE CA C 57.993 . . 465 66 66 PHE CB C 39.555 . . 466 66 66 PHE N N 122.669 . . 467 67 67 VAL H H 7.918 . . 468 67 67 VAL HA H 3.913 . . 469 67 67 VAL HB H 1.881 . . 470 67 67 VAL C C 175.289 . . 471 67 67 VAL CA C 62.057 . . 472 67 67 VAL CB C 32.895 . . 473 67 67 VAL N N 123.271 . . 474 68 68 ALA H H 8.296 . . 475 68 68 ALA HA H 4.138 . . 476 68 68 ALA HB H 1.3 . . 477 68 68 ALA C C 177.497 . . 478 68 68 ALA CA C 52.364 . . 479 68 68 ALA CB C 19.085 . . 480 68 68 ALA N N 128.303 . . 481 69 69 LYS H H 8.303 . . 482 69 69 LYS HA H 4.184 . . 483 69 69 LYS HB2 H 1.688 . . 484 69 69 LYS HB3 H 1.688 . . 485 69 69 LYS C C 176.393 . . 486 69 69 LYS CA C 56.104 . . 487 69 69 LYS CB C 33.131 . . 488 69 69 LYS N N 121.223 . . 489 70 70 HIS H H 8.611 . . 490 70 70 HIS HA H 4.616 . . 491 70 70 HIS HB2 H 3.153 . . 492 70 70 HIS HB3 H 3.093 . . 493 70 70 HIS C C 174.568 . . 494 70 70 HIS CA C 55.521 . . 495 70 70 HIS CB C 29.194 . . 496 70 70 HIS N N 121.012 . . 497 71 71 GLU H H 8.586 . . 498 71 71 GLU HA H 4.218 . . 499 71 71 GLU HB2 H 1.985 . . 500 71 71 GLU HB3 H 1.848 . . 501 71 71 GLU C C 176.393 . . 502 71 71 GLU CA C 56.626 . . 503 71 71 GLU CB C 30.245 . . 504 71 71 GLU N N 123.151 . . 505 72 72 GLU H H 8.582 . . 506 72 72 GLU HA H 4.199 . . 507 72 72 GLU HB2 H 2.004 . . 508 72 72 GLU HB3 H 2.004 . . 509 72 72 GLU C C 176.574 . . 510 72 72 GLU CA C 56.615 . . 511 72 72 GLU CB C 30.145 . . 512 72 72 GLU N N 121.855 . . 513 73 73 GLU H H 8.405 . . 514 73 73 GLU HA H 4.167 . . 515 73 73 GLU HB2 H 1.959 . . 516 73 73 GLU HB3 H 1.948 . . 517 73 73 GLU C C 176.356 . . 518 73 73 GLU CA C 56.495 . . 519 73 73 GLU CB C 30.377 . . 520 73 73 GLU N N 122.054 . . 521 74 74 GLU H H 8.391 . . 522 74 74 GLU HA H 4.121 . . 523 74 74 GLU HB2 H 1.869 . . 524 74 74 GLU HB3 H 1.869 . . 525 74 74 GLU C C 176.171 . . 526 74 74 GLU CA C 56.576 . . 527 74 74 GLU CB C 30.375 . . 528 74 74 GLU N N 122.096 . . 529 75 75 HIS H H 8.586 . . 530 75 75 HIS N N 120.62 . . 531 76 76 LYS C C 174.321 . . 532 77 77 PRO HA H 4.473 . . 533 77 77 PRO HB2 H 2.253 . . 534 77 77 PRO HB3 H 1.843 . . 535 77 77 PRO C C 177.281 . . 536 77 77 PRO CA C 62.971 . . 537 77 77 PRO CB C 32.135 . . 538 77 77 PRO N N 136.851 . . 539 78 78 THR H H 8.439 . . 540 78 78 THR HA H 4.253 . . 541 78 78 THR HB H 4.289 . . 542 78 78 THR C C 174.79 . . 543 78 78 THR CA C 61.66 . . 544 78 78 THR CB C 70.168 . . 545 78 78 THR N N 115.347 . . 546 79 79 LEU H H 8.413 . . 547 79 79 LEU HA H 4.219 . . 548 79 79 LEU HB2 H 1.576 . . 549 79 79 LEU HB3 H 1.576 . . 550 79 79 LEU C C 177.978 . . 551 79 79 LEU CA C 56.246 . . 552 79 79 LEU CB C 41.922 . . 553 79 79 LEU N N 124.085 . . 554 80 80 LEU H H 8.168 . . 555 80 80 LEU HA H 4.157 . . 556 80 80 LEU HB2 H 1.589 . . 557 80 80 LEU HB3 H 1.501 . . 558 80 80 LEU C C 178.274 . . 559 80 80 LEU CA C 56.207 . . 560 80 80 LEU CB C 42.043 . . 561 80 80 LEU N N 121.343 . . 562 81 81 GLU H H 8.12 . . 563 81 81 GLU HA H 4.103 . . 564 81 81 GLU HB2 H 1.977 . . 565 81 81 GLU HB3 H 1.977 . . 566 81 81 GLU C C 177.497 . . 567 81 81 GLU CA C 57.506 . . 568 81 81 GLU CB C 30.035 . . 569 81 81 GLU N N 120.801 . . 570 82 82 GLN H H 8.308 . . 571 82 82 GLN HA H 4.159 . . 572 82 82 GLN HB2 H 2.016 . . 573 82 82 GLN HB3 H 2.016 . . 574 82 82 GLN C C 176.788 . . 575 82 82 GLN CA C 56.686 . . 576 82 82 GLN CB C 29.217 . . 577 82 82 GLN N N 120.562 . . 578 83 83 LEU H H 8.134 . . 579 83 83 LEU HA H 4.16 . . 580 83 83 LEU HB2 H 1.605 . . 581 83 83 LEU HB3 H 1.605 . . 582 83 83 LEU C C 177.715 . . 583 83 83 LEU CA C 55.866 . . 584 83 83 LEU CB C 42.139 . . 585 83 83 LEU N N 121.825 . . 586 84 84 HIS H H 8.285 . . 587 84 84 HIS HA H 4.584 . . 588 84 84 HIS HB2 H 3.209 . . 589 84 84 HIS HB3 H 3.128 . . 590 84 84 HIS C C 174.944 . . 591 84 84 HIS CA C 55.873 . . 592 84 84 HIS CB C 29.073 . . 593 84 84 HIS N N 118.631 . . 594 85 85 GLN H H 8.256 . . 595 85 85 GLN HA H 4.19 . . 596 85 85 GLN HB2 H 1.981 . . 597 85 85 GLN HB3 H 1.981 . . 598 85 85 GLN C C 176.013 . . 599 85 85 GLN CA C 56.103 . . 600 85 85 GLN CB C 29.239 . . 601 85 85 GLN N N 121.146 . . 602 86 86 LYS H H 8.346 . . 603 86 86 LYS HA H 4.188 . . 604 86 86 LYS HB2 H 1.748 . . 605 86 86 LYS HB3 H 1.748 . . 606 86 86 LYS C C 176.605 . . 607 86 86 LYS CA C 56.678 . . 608 86 86 LYS CB C 32.847 . . 609 86 86 LYS N N 122.502 . . 610 87 87 HIS H H 8.587 . . 611 87 87 HIS HA H 4.611 . . 612 87 87 HIS HB2 H 3.198 . . 613 87 87 HIS HB3 H 3.13 . . 614 87 87 HIS C C 174.919 . . 615 87 87 HIS CA C 55.877 . . 616 87 87 HIS CB C 29.08 . . 617 87 87 HIS N N 120.702 . . 618 88 88 GLU H H 8.56 . . 619 88 88 GLU HA H 4.176 . . 620 88 88 GLU HB2 H 2.001 . . 621 88 88 GLU HB3 H 1.867 . . 622 88 88 GLU C C 176.732 . . 623 88 88 GLU CA C 57.057 . . 624 88 88 GLU CB C 30.033 . . 625 88 88 GLU N N 122.518 . . 626 89 89 GLU H H 8.538 . . 627 89 89 GLU HA H 4.186 . . 628 89 89 GLU HB2 H 2.026 . . 629 89 89 GLU HB3 H 1.904 . . 630 89 89 GLU C C 176.873 . . 631 89 89 GLU CA C 56.96 . . 632 89 89 GLU CB C 30.055 . . 633 89 89 GLU N N 121.162 . . 634 90 90 GLU H H 8.361 . . 635 90 90 GLU HA H 4.192 . . 636 90 90 GLU HB2 H 2.005 . . 637 90 90 GLU HB3 H 1.931 . . 638 90 90 GLU C C 176.916 . . 639 90 90 GLU CA C 56.831 . . 640 90 90 GLU CB C 30.15 . . 641 90 90 GLU N N 121.249 . . 642 91 91 GLU H H 8.344 . . 643 91 91 GLU HA H 4.158 . . 644 91 91 GLU HB2 H 1.993 . . 645 91 91 GLU HB3 H 1.894 . . 646 91 91 GLU C C 176.805 . . 647 91 91 GLU CA C 56.857 . . 648 91 91 GLU CB C 30.285 . . 649 91 91 GLU N N 121.609 . . 650 92 92 GLU H H 8.41 . . 651 92 92 GLU HA H 4.142 . . 652 92 92 GLU HB2 H 1.945 . . 653 92 92 GLU HB3 H 1.945 . . 654 92 92 GLU C C 176.301 . . 655 92 92 GLU CA C 57.022 . . 656 92 92 GLU CB C 30.131 . . 657 92 92 GLU N N 121.408 . . 658 93 93 ASN H H 8.413 . . 659 93 93 ASN HA H 4.633 . . 660 93 93 ASN HB2 H 2.765 . . 661 93 93 ASN HB3 H 2.689 . . 662 93 93 ASN C C 174.716 . . 663 93 93 ASN CA C 53.074 . . 664 93 93 ASN CB C 38.699 . . 665 93 93 ASN N N 119.083 . . 666 94 94 LYS H H 8.109 . . 667 94 94 LYS C C 174.509 . . 668 94 94 LYS N N 122.669 . . 669 95 95 PRO HA H 4.369 . . 670 95 95 PRO HB2 H 2.26 . . 671 95 95 PRO HB3 H 1.835 . . 672 95 95 PRO C C 177.139 . . 673 95 95 PRO CA C 63.468 . . 674 95 95 PRO CB C 32.008 . . 675 95 95 PRO N N 137.151 . . 676 96 96 SER H H 8.483 . . 677 96 96 SER HA H 4.372 . . 678 96 96 SER HB2 H 3.889 . . 679 96 96 SER HB3 H 3.798 . . 680 96 96 SER C C 175.141 . . 681 96 96 SER CA C 58.243 . . 682 96 96 SER CB C 63.782 . . 683 96 96 SER N N 116.07 . . 684 97 97 LEU H H 8.358 . . 685 97 97 LEU HA H 4.239 . . 686 97 97 LEU HB2 H 1.595 . . 687 97 97 LEU HB3 H 1.595 . . 688 97 97 LEU C C 177.805 . . 689 97 97 LEU CA C 55.872 . . 690 97 97 LEU CB C 41.982 . . 691 97 97 LEU N N 124.296 . . 692 98 98 LEU H H 8.057 . . 693 98 98 LEU HA H 4.187 . . 694 98 98 LEU HB2 H 1.585 . . 695 98 98 LEU HB3 H 1.488 . . 696 98 98 LEU C C 177.503 . . 697 98 98 LEU CA C 55.646 . . 698 98 98 LEU CB C 42.024 . . 699 98 98 LEU N N 120.891 . . 700 99 99 ASP H H 8.09 . . 701 99 99 ASP HA H 4.468 . . 702 99 99 ASP HB2 H 2.671 . . 703 99 99 ASP HB3 H 2.671 . . 704 99 99 ASP C C 176.899 . . 705 99 99 ASP CA C 54.702 . . 706 99 99 ASP CB C 41.016 . . 707 99 99 ASP N N 120.53 . . 708 100 100 LYS H H 8.171 . . 709 100 100 LYS HA H 4.097 . . 710 100 100 LYS HB2 H 1.816 . . 711 100 100 LYS HB3 H 1.752 . . 712 100 100 LYS C C 177.263 . . 713 100 100 LYS CA C 57.332 . . 714 100 100 LYS CB C 32.541 . . 715 100 100 LYS N N 120.831 . . 716 101 101 LEU H H 8.035 . . 717 101 101 LEU HA H 4.178 . . 718 101 101 LEU HB2 H 1.585 . . 719 101 101 LEU HB3 H 1.404 . . 720 101 101 LEU C C 177.503 . . 721 101 101 LEU CA C 55.617 . . 722 101 101 LEU CB C 41.965 . . 723 101 101 LEU N N 120.379 . . 724 102 102 HIS H H 8.182 . . 725 102 102 HIS HA H 4.571 . . 726 102 102 HIS HB2 H 3.222 . . 727 102 102 HIS HB3 H 3.094 . . 728 102 102 HIS C C 174.79 . . 729 102 102 HIS CA C 55.892 . . 730 102 102 HIS CB C 29.012 . . 731 102 102 HIS N N 118.39 . . 732 103 103 ARG H H 8.241 . . 733 103 103 ARG HA H 4.308 . . 734 103 103 ARG HB2 H 1.821 . . 735 103 103 ARG HB3 H 1.717 . . 736 103 103 ARG C C 176.399 . . 737 103 103 ARG CA C 56.176 . . 738 103 103 ARG CB C 30.804 . . 739 103 103 ARG N N 121.946 . . 740 104 104 SER H H 8.461 . . 741 104 104 SER HA H 4.392 . . 742 104 104 SER HB2 H 3.839 . . 743 104 104 SER HB3 H 3.839 . . 744 104 104 SER C C 174.432 . . 745 104 104 SER CA C 58.464 . . 746 104 104 SER CB C 63.777 . . 747 104 104 SER N N 117.065 . . 748 105 105 ASN H H 8.534 . . 749 105 105 ASN HA H 4.718 . . 750 105 105 ASN HB2 H 2.802 . . 751 105 105 ASN HB3 H 2.802 . . 752 105 105 ASN C C 175.406 . . 753 105 105 ASN CA C 53.263 . . 754 105 105 ASN CB C 38.803 . . 755 105 105 ASN N N 120.921 . . 756 106 106 SER H H 8.334 . . 757 106 106 SER HA H 4.459 . . 758 106 106 SER HB2 H 3.847 . . 759 106 106 SER HB3 H 3.847 . . 760 106 106 SER C C 174.71 . . 761 106 106 SER CA C 58.526 . . 762 106 106 SER CB C 63.819 . . 763 106 106 SER N N 116.118 . . 764 107 107 SER H H 8.415 . . 765 107 107 SER HA H 4.472 . . 766 107 107 SER HB2 H 3.862 . . 767 107 107 SER HB3 H 3.862 . . 768 107 107 SER C C 174.666 . . 769 107 107 SER CA C 58.505 . . 770 107 107 SER CB C 63.795 . . 771 107 107 SER N N 117.864 . . 772 108 108 SER H H 8.376 . . 773 108 108 SER HA H 4.476 . . 774 108 108 SER HB2 H 3.856 . . 775 108 108 SER HB3 H 3.856 . . 776 108 108 SER C C 174.619 . . 777 108 108 SER CA C 58.442 . . 778 108 108 SER CB C 63.796 . . 779 108 108 SER N N 117.718 . . 780 109 109 SER H H 8.383 . . 781 109 109 SER HA H 4.483 . . 782 109 109 SER HB2 H 3.854 . . 783 109 109 SER HB3 H 3.854 . . 784 109 109 SER C C 174.561 . . 785 109 109 SER CA C 58.385 . . 786 109 109 SER CB C 63.837 . . 787 109 109 SER N N 117.836 . . 788 110 110 SER H H 8.399 . . 789 110 110 SER HA H 4.489 . . 790 110 110 SER HB2 H 3.852 . . 791 110 110 SER HB3 H 3.852 . . 792 110 110 SER C C 174.611 . . 793 110 110 SER CA C 58.358 . . 794 110 110 SER CB C 63.875 . . 795 110 110 SER N N 117.875 . . 796 111 111 SER H H 8.417 . . 797 111 111 SER HA H 4.473 . . 798 111 111 SER HB2 H 3.851 . . 799 111 111 SER HB3 H 3.851 . . 800 111 111 SER C C 174.7 . . 801 111 111 SER CA C 58.478 . . 802 111 111 SER CB C 63.819 . . 803 111 111 SER N N 117.999 . . 804 112 112 SER H H 8.403 . . 805 112 112 SER HA H 4.433 . . 806 112 112 SER HB2 H 3.841 . . 807 112 112 SER HB3 H 3.841 . . 808 112 112 SER C C 174.469 . . 809 112 112 SER CA C 58.534 . . 810 112 112 SER CB C 63.772 . . 811 112 112 SER N N 117.816 . . 812 113 113 ASP H H 8.355 . . 813 113 113 ASP HA H 4.568 . . 814 113 113 ASP HB2 H 2.661 . . 815 113 113 ASP HB3 H 2.591 . . 816 113 113 ASP C C 176.412 . . 817 113 113 ASP CA C 54.637 . . 818 113 113 ASP CB C 41.007 . . 819 113 113 ASP N N 122.398 . . 820 114 114 GLU H H 8.314 . . 821 114 114 GLU HA H 4.222 . . 822 114 114 GLU HB2 H 2.028 . . 823 114 114 GLU HB3 H 1.888 . . 824 114 114 GLU C C 176.695 . . 825 114 114 GLU CA C 56.766 . . 826 114 114 GLU CB C 30.301 . . 827 114 114 GLU N N 120.65 . . 828 115 115 GLU H H 8.369 . . 829 115 115 GLU HA H 4.254 . . 830 115 115 GLU HB2 H 2.043 . . 831 115 115 GLU HB3 H 1.925 . . 832 115 115 GLU C C 177.127 . . 833 115 115 GLU CA C 56.736 . . 834 115 115 GLU CB C 30.373 . . 835 115 115 GLU N N 121.132 . . 836 116 116 GLY H H 8.362 . . 837 116 116 GLY HA2 H 3.958 . . 838 116 116 GLY HA3 H 3.958 . . 839 116 116 GLY C C 174.463 . . 840 116 116 GLY CA C 45.126 . . 841 116 116 GLY N N 109.382 . . 842 117 117 GLU H H 8.457 . . 843 117 117 GLU HA H 4.208 . . 844 117 117 GLU HB2 H 2.024 . . 845 117 117 GLU HB3 H 1.9 . . 846 117 117 GLU C C 176.812 . . 847 117 117 GLU CA C 57.051 . . 848 117 117 GLU CB C 30.206 . . 849 117 117 GLU N N 120.831 . . 850 118 118 ASP H H 8.527 . . 851 118 118 ASP HA H 4.531 . . 852 118 118 ASP HB2 H 2.656 . . 853 118 118 ASP HB3 H 2.656 . . 854 118 118 ASP C C 177.213 . . 855 118 118 ASP CA C 54.732 . . 856 118 118 ASP CB C 41.02 . . 857 118 118 ASP N N 120.59 . . 858 119 119 GLY H H 8.307 . . 859 119 119 GLY HA2 H 3.871 . . 860 119 119 GLY HA3 H 3.871 . . 861 119 119 GLY C C 175.258 . . 862 119 119 GLY CA C 46.145 . . 863 119 119 GLY N N 109.141 . . 864 120 120 GLU H H 8.285 . . 865 120 120 GLU HA H 4.303 . . 866 120 120 GLU HB2 H 2.008 . . 867 120 120 GLU HB3 H 2.008 . . 868 120 120 GLU C C 177.793 . . 869 120 120 GLU CA C 57.095 . . 870 120 120 GLU CB C 29.704 . . 871 120 120 GLU N N 120.891 . . 872 121 121 LYS H H 8.204 . . 873 121 121 LYS HA H 4.082 . . 874 121 121 LYS HB2 H 1.808 . . 875 121 121 LYS HB3 H 1.808 . . 876 121 121 LYS C C 177.849 . . 877 121 121 LYS CA C 58.007 . . 878 121 121 LYS CB C 32.348 . . 879 121 121 LYS N N 120.59 . . 880 122 122 LYS H H 8.057 . . 881 122 122 LYS HA H 4.145 . . 882 122 122 LYS HB2 H 1.766 . . 883 122 122 LYS HB3 H 1.766 . . 884 122 122 LYS C C 177.614 . . 885 122 122 LYS CA C 57.241 . . 886 122 122 LYS CB C 32.592 . . 887 122 122 LYS N N 119.867 . . 888 123 123 LYS H H 8.061 . . 889 123 123 LYS HA H 4.117 . . 890 123 123 LYS HB2 H 1.78 . . 891 123 123 LYS HB3 H 1.78 . . 892 123 123 LYS C C 177.497 . . 893 123 123 LYS CA C 57.508 . . 894 123 123 LYS CB C 32.751 . . 895 123 123 LYS N N 120.951 . . 896 124 124 LYS H H 8.134 . . 897 124 124 LYS HA H 4.161 . . 898 124 124 LYS HB2 H 1.775 . . 899 124 124 LYS HB3 H 1.775 . . 900 124 124 LYS C C 177.195 . . 901 124 124 LYS CA C 57.066 . . 902 124 124 LYS CB C 32.796 . . 903 124 124 LYS N N 121.162 . . 904 125 125 GLU H H 8.197 . . 905 125 125 GLU N N 121.313 . . 906 126 126 LYS HA H 4.194 . . 907 126 126 LYS HB2 H 1.739 . . 908 126 126 LYS HB3 H 1.739 . . 909 126 126 LYS C C 176.8 . . 910 126 126 LYS CA C 56.615 . . 911 126 126 LYS CB C 32.782 . . 912 127 127 LYS H H 8.219 . . 913 127 127 LYS HA H 4.198 . . 914 127 127 LYS HB2 H 1.756 . . 915 127 127 LYS HB3 H 1.756 . . 916 127 127 LYS C C 176.615 . . 917 127 127 LYS CA C 56.397 . . 918 127 127 LYS CB C 32.986 . . 919 127 127 LYS N N 122.368 . . 920 128 128 LYS H H 8.277 . . 921 128 128 LYS HA H 4.19 . . 922 128 128 LYS HB2 H 1.72 . . 923 128 128 LYS HB3 H 1.72 . . 924 128 128 LYS C C 176.387 . . 925 128 128 LYS CA C 56.46 . . 926 128 128 LYS CB C 33.189 . . 927 128 128 LYS N N 123.117 . . 928 129 129 LYS H H 8.329 . . 929 129 129 LYS HA H 4.233 . . 930 129 129 LYS HB2 H 1.713 . . 931 129 129 LYS HB3 H 1.713 . . 932 129 129 LYS C C 176.356 . . 933 129 129 LYS CA C 56.311 . . 934 129 129 LYS CB C 33.051 . . 935 129 129 LYS N N 123.482 . . 936 130 130 ILE H H 8.274 . . 937 130 130 ILE HA H 4.098 . . 938 130 130 ILE HB H 1.802 . . 939 130 130 ILE C C 176.146 . . 940 130 130 ILE CA C 61.073 . . 941 130 130 ILE CB C 38.688 . . 942 130 130 ILE N N 123.874 . . 943 131 131 VAL H H 8.329 . . 944 131 131 VAL HA H 4.062 . . 945 131 131 VAL HB H 1.989 . . 946 131 131 VAL C C 176.003 . . 947 131 131 VAL CA C 62.083 . . 948 131 131 VAL CB C 32.795 . . 949 131 131 VAL N N 125.32 . . 950 132 132 GLU H H 8.573 . . 951 132 132 GLU HA H 4.216 . . 952 132 132 GLU HB2 H 1.995 . . 953 132 132 GLU HB3 H 1.906 . . 954 132 132 GLU C C 176.862 . . 955 132 132 GLU CA C 56.79 . . 956 132 132 GLU CB C 30.365 . . 957 132 132 GLU N N 125.72 . . 958 133 133 GLY H H 8.454 . . 959 133 133 GLY HA2 H 3.892 . . 960 133 133 GLY HA3 H 3.892 . . 961 133 133 GLY C C 173.766 . . 962 133 133 GLY CA C 45.168 . . 963 133 133 GLY N N 110.286 . . 964 134 134 ASP H H 8.233 . . 965 134 134 ASP HA H 4.51 . . 966 134 134 ASP HB2 H 2.568 . . 967 134 134 ASP HB3 H 2.568 . . 968 134 134 ASP C C 176.079 . . 969 134 134 ASP CA C 54.275 . . 970 134 134 ASP CB C 41.052 . . 971 134 134 ASP N N 120.319 . . 972 135 135 HIS H H 8.366 . . 973 135 135 HIS HA H 4.616 . . 974 135 135 HIS HB2 H 3.148 . . 975 135 135 HIS HB3 H 3.145 . . 976 135 135 HIS C C 174.333 . . 977 135 135 HIS CA C 55.503 . . 978 135 135 HIS CB C 29.316 . . 979 135 135 HIS N N 118.842 . . 980 136 136 VAL H H 8.215 . . 981 136 136 VAL HA H 3.967 . . 982 136 136 VAL HB H 1.941 . . 983 136 136 VAL C C 175.992 . . 984 136 136 VAL CA C 62.486 . . 985 136 136 VAL CB C 32.479 . . 986 136 136 VAL N N 123 . . 987 137 137 LYS H H 8.49 . . 988 137 137 LYS HA H 4.358 . . 989 137 137 LYS HB2 H 1.74 . . 990 137 137 LYS HB3 H 1.74 . . 991 137 137 LYS C C 176.936 . . 992 137 137 LYS CA C 56.413 . . 993 137 137 LYS CB C 33.305 . . 994 137 137 LYS N N 126.194 . . 995 138 138 THR H H 8.38 . . 996 138 138 THR HA H 4.337 . . 997 138 138 THR HB H 4.33 . . 998 138 138 THR C C 174.882 . . 999 138 138 THR CA C 61.467 . . 1000 138 138 THR CB C 70.296 . . 1001 138 138 THR N N 116.372 . . 1002 139 139 VAL H H 8.369 . . 1003 139 139 VAL HA H 3.963 . . 1004 139 139 VAL HB H 2.009 . . 1005 139 139 VAL C C 176.856 . . 1006 139 139 VAL CA C 63.564 . . 1007 139 139 VAL CB C 32.4 . . 1008 139 139 VAL N N 122.006 . . 1009 140 140 GLU H H 8.501 . . 1010 140 140 GLU HA H 4.155 . . 1011 140 140 GLU HB2 H 1.931 . . 1012 140 140 GLU HB3 H 1.931 . . 1013 140 140 GLU C C 177.491 . . 1014 140 140 GLU CA C 57.757 . . 1015 140 140 GLU CB C 29.692 . . 1016 140 140 GLU N N 122.94 . . 1017 141 141 GLU H H 8.215 . . 1018 141 141 GLU HA H 4.131 . . 1019 141 141 GLU HB2 H 1.995 . . 1020 141 141 GLU HB3 H 1.995 . . 1021 141 141 GLU C C 177.651 . . 1022 141 141 GLU CA C 57.299 . . 1023 141 141 GLU CB C 30.312 . . 1024 141 141 GLU N N 121.192 . . 1025 142 142 GLU H H 8.439 . . 1026 142 142 GLU HA H 4.156 . . 1027 142 142 GLU HB2 H 1.98 . . 1028 142 142 GLU HB3 H 1.98 . . 1029 142 142 GLU C C 177.042 . . 1030 142 142 GLU CA C 57.356 . . 1031 142 142 GLU CB C 29.937 . . 1032 142 142 GLU N N 121.644 . . 1033 143 143 ASN H H 8.418 . . 1034 143 143 ASN HA H 4.61 . . 1035 143 143 ASN HB2 H 2.783 . . 1036 143 143 ASN HB3 H 2.783 . . 1037 143 143 ASN C C 175.746 . . 1038 143 143 ASN CA C 53.753 . . 1039 143 143 ASN CB C 38.686 . . 1040 143 143 ASN N N 118.931 . . 1041 144 144 GLN H H 8.311 . . 1042 144 144 GLN HA H 4.178 . . 1043 144 144 GLN HB2 H 2.113 . . 1044 144 144 GLN HB3 H 1.999 . . 1045 144 144 GLN C C 176.788 . . 1046 144 144 GLN CA C 56.695 . . 1047 144 144 GLN CB C 28.948 . . 1048 144 144 GLN N N 120.53 . . 1049 145 145 GLY H H 8.406 . . 1050 145 145 GLY HA2 H 3.908 . . 1051 145 145 GLY HA3 H 3.908 . . 1052 145 145 GLY C C 174.648 . . 1053 145 145 GLY CA C 45.652 . . 1054 145 145 GLY N N 109.141 . . 1055 146 146 VAL H H 7.889 . . 1056 146 146 VAL HA H 3.939 . . 1057 146 146 VAL HB H 2.068 . . 1058 146 146 VAL C C 177.004 . . 1059 146 146 VAL CA C 63.399 . . 1060 146 146 VAL CB C 32.304 . . 1061 146 146 VAL N N 119.686 . . 1062 147 147 MET H H 8.34 . . 1063 147 147 MET HA H 4.383 . . 1064 147 147 MET C C 176.652 . . 1065 147 147 MET CA C 55.964 . . 1066 147 147 MET N N 122.398 . . 1067 148 148 ASP H H 8.307 . . 1068 148 148 ASP HA H 4.481 . . 1069 148 148 ASP HB2 H 2.613 . . 1070 148 148 ASP HB3 H 2.613 . . 1071 148 148 ASP C C 176.547 . . 1072 148 148 ASP CA C 54.96 . . 1073 148 148 ASP CB C 40.849 . . 1074 148 148 ASP N N 121.102 . . 1075 149 149 ARG H H 8.068 . . 1076 149 149 ARG HA H 4.224 . . 1077 149 149 ARG HB2 H 1.787 . . 1078 149 149 ARG HB3 H 1.787 . . 1079 149 149 ARG C C 176.882 . . 1080 149 149 ARG CA C 56.666 . . 1081 149 149 ARG CB C 30.585 . . 1082 149 149 ARG N N 120.53 . . 1083 150 150 ILE H H 8.061 . . 1084 150 150 ILE HA H 3.999 . . 1085 150 150 ILE HB H 1.869 . . 1086 150 150 ILE C C 176.64 . . 1087 150 150 ILE CA C 61.904 . . 1088 150 150 ILE CB C 38.117 . . 1089 150 150 ILE N N 121.408 . . 1090 151 151 LYS H H 8.211 . . 1091 151 151 LYS HA H 4.16 . . 1092 151 151 LYS HB2 H 1.734 . . 1093 151 151 LYS HB3 H 1.734 . . 1094 151 151 LYS C C 176.712 . . 1095 151 151 LYS CA C 56.734 . . 1096 151 151 LYS CB C 32.795 . . 1097 151 151 LYS N N 124.296 . . 1098 152 152 GLU H H 8.205 . . 1099 152 152 GLU HA H 4.091 . . 1100 152 152 GLU HB2 H 1.867 . . 1101 152 152 GLU HB3 H 1.867 . . 1102 152 152 GLU C C 176.146 . . 1103 152 152 GLU CA C 56.679 . . 1104 152 152 GLU CB C 30.122 . . 1105 152 152 GLU N N 121.482 . . 1106 153 153 LYS H H 8.142 . . 1107 153 153 LYS HA H 4.097 . . 1108 153 153 LYS HB2 H 1.564 . . 1109 153 153 LYS HB3 H 1.564 . . 1110 153 153 LYS C C 175.887 . . 1111 153 153 LYS CA C 56.365 . . 1112 153 153 LYS CB C 33.164 . . 1113 153 153 LYS N N 121.795 . . 1114 154 154 PHE H H 8.23 . . 1115 154 154 PHE C C 173.793 . . 1116 154 154 PHE N N 120.861 . . 1117 155 155 PRO HA H 4.369 . . 1118 155 155 PRO HB2 H 2.217 . . 1119 155 155 PRO HB3 H 1.859 . . 1120 155 155 PRO C C 177.035 . . 1121 155 155 PRO CA C 63.31 . . 1122 155 155 PRO CB C 31.949 . . 1123 155 155 PRO N N 137.101 . . 1124 156 156 LEU H H 8.435 . . 1125 156 156 LEU HA H 4.299 . . 1126 156 156 LEU HB2 H 1.597 . . 1127 156 156 LEU HB3 H 1.597 . . 1128 156 156 LEU C C 178.064 . . 1129 156 156 LEU CA C 55.287 . . 1130 156 156 LEU CB C 42.207 . . 1131 156 156 LEU N N 122.066 . . 1132 157 157 GLY H H 8.373 . . 1133 157 157 GLY HA2 H 3.907 . . 1134 157 157 GLY HA3 H 3.907 . . 1135 157 157 GLY C C 173.871 . . 1136 157 157 GLY CA C 45.093 . . 1137 157 157 GLY N N 109.683 . . 1138 158 158 GLU H H 8.233 . . 1139 158 158 GLU HA H 4.216 . . 1140 158 158 GLU HB2 H 1.958 . . 1141 158 158 GLU HB3 H 1.813 . . 1142 158 158 GLU C C 176.153 . . 1143 158 158 GLU CA C 56.145 . . 1144 158 158 GLU CB C 30.542 . . 1145 158 158 GLU N N 120.53 . . 1146 159 159 LYS H H 8.443 . . 1147 159 159 LYS C C 174.477 . . 1148 159 159 LYS N N 123.814 . . 1149 160 160 PRO HA H 4.338 . . 1150 160 160 PRO HB2 H 2.225 . . 1151 160 160 PRO HB3 H 1.871 . . 1152 160 160 PRO C C 177.571 . . 1153 160 160 PRO CA C 63.369 . . 1154 160 160 PRO CB C 31.995 . . 1155 160 160 PRO N N 138.109 . . 1156 161 161 GLY H H 8.564 . . 1157 161 161 GLY HA2 H 3.921 . . 1158 161 161 GLY HA3 H 3.921 . . 1159 161 161 GLY C C 174.679 . . 1160 161 161 GLY CA C 45.181 . . 1161 161 161 GLY N N 109.954 . . 1162 162 162 GLY H H 8.259 . . 1163 162 162 GLY HA2 H 3.929 . . 1164 162 162 GLY HA3 H 3.929 . . 1165 162 162 GLY C C 173.908 . . 1166 162 162 GLY CA C 45.162 . . 1167 162 162 GLY N N 108.779 . . 1168 163 163 ASP H H 8.373 . . 1169 163 163 ASP HA H 4.567 . . 1170 163 163 ASP HB2 H 2.636 . . 1171 163 163 ASP HB3 H 2.508 . . 1172 163 163 ASP C C 175.949 . . 1173 163 163 ASP CA C 54.264 . . 1174 163 163 ASP CB C 41.201 . . 1175 163 163 ASP N N 120.108 . . 1176 164 164 ASP H H 8.358 . . 1177 164 164 ASP HA H 4.517 . . 1178 164 164 ASP HB2 H 2.6 . . 1179 164 164 ASP HB3 H 2.529 . . 1180 164 164 ASP C C 175.832 . . 1181 164 164 ASP CA C 54.261 . . 1182 164 164 ASP CB C 40.961 . . 1183 164 164 ASP N N 120.409 . . 1184 165 165 VAL H H 8.032 . . 1185 165 165 VAL C C 174.382 . . 1186 165 165 VAL N N 122.066 . . 1187 166 166 PRO HA H 4.366 . . 1188 166 166 PRO HB2 H 2.229 . . 1189 166 166 PRO HB3 H 1.77 . . 1190 166 166 PRO C C 176.732 . . 1191 166 166 PRO CA C 63.034 . . 1192 166 166 PRO CB C 32.186 . . 1193 166 166 PRO N N 139.718 . . 1194 167 167 VAL H H 8.336 . . 1195 167 167 VAL HA H 4.011 . . 1196 167 167 VAL HB H 1.967 . . 1197 167 167 VAL C C 176.356 . . 1198 167 167 VAL CA C 62.356 . . 1199 167 167 VAL CB C 32.744 . . 1200 167 167 VAL N N 121.765 . . 1201 168 168 VAL H H 8.366 . . 1202 168 168 VAL HA H 4.153 . . 1203 168 168 VAL HB H 1.998 . . 1204 168 168 VAL C C 176.281 . . 1205 168 168 VAL CA C 62.124 . . 1206 168 168 VAL CB C 32.78 . . 1207 168 168 VAL N N 125.561 . . 1208 169 169 THR H H 8.392 . . 1209 169 169 THR HA H 4.368 . . 1210 169 169 THR HB H 4.147 . . 1211 169 169 THR C C 174.413 . . 1212 169 169 THR CA C 61.634 . . 1213 169 169 THR CB C 69.76 . . 1214 169 169 THR N N 119.386 . . 1215 170 170 THR H H 8.182 . . 1216 170 170 THR HA H 4.27 . . 1217 170 170 THR HB H 4.106 . . 1218 170 170 THR C C 174.111 . . 1219 170 170 THR CA C 61.648 . . 1220 170 170 THR CB C 69.791 . . 1221 170 170 THR N N 117.306 . . 1222 171 171 MET H H 8.45 . . 1223 171 171 MET N N 124.718 . . 1224 173 173 ALA C C 175.7 . . 1225 174 174 PRO HA H 4.332 . . 1226 174 174 PRO HB2 H 2.198 . . 1227 174 174 PRO HB3 H 1.795 . . 1228 174 174 PRO C C 176.738 . . 1229 174 174 PRO CA C 62.959 . . 1230 174 174 PRO CB C 32.043 . . 1231 174 174 PRO N N 135.596 . . 1232 175 175 HIS H H 8.564 . . 1233 175 175 HIS HA H 4.62 . . 1234 175 175 HIS HB2 H 3.154 . . 1235 175 175 HIS HB3 H 3.154 . . 1236 175 175 HIS C C 174.611 . . 1237 175 175 HIS CA C 55.509 . . 1238 175 175 HIS CB C 29.5 . . 1239 175 175 HIS N N 118.993 . . 1240 176 176 SER H H 8.417 . . 1241 176 176 SER HA H 4.424 . . 1242 176 176 SER HB2 H 3.792 . . 1243 176 176 SER HB3 H 3.792 . . 1244 176 176 SER C C 174.555 . . 1245 176 176 SER CA C 58.158 . . 1246 176 176 SER CB C 63.864 . . 1247 176 176 SER N N 117.999 . . 1248 177 177 VAL H H 8.329 . . 1249 177 177 VAL HA H 4.08 . . 1250 177 177 VAL HB H 2.05 . . 1251 177 177 VAL C C 176.196 . . 1252 177 177 VAL CA C 62.436 . . 1253 177 177 VAL CB C 32.615 . . 1254 177 177 VAL N N 121.825 . . 1255 178 178 GLU H H 8.454 . . 1256 178 178 GLU HA H 4.207 . . 1257 178 178 GLU HB2 H 1.94 . . 1258 178 178 GLU HB3 H 1.821 . . 1259 178 178 GLU C C 175.937 . . 1260 178 178 GLU CA C 56.35 . . 1261 178 178 GLU CB C 30.226 . . 1262 178 178 GLU N N 124.025 . . 1263 179 179 ASP H H 8.285 . . 1264 179 179 ASP HA H 4.485 . . 1265 179 179 ASP HB2 H 2.545 . . 1266 179 179 ASP HB3 H 2.545 . . 1267 179 179 ASP C C 175.746 . . 1268 179 179 ASP CA C 54.18 . . 1269 179 179 ASP CB C 41.162 . . 1270 179 179 ASP N N 121.735 . . 1271 180 180 HIS H H 8.358 . . 1272 180 180 HIS HA H 4.611 . . 1273 180 180 HIS HB2 H 3.167 . . 1274 180 180 HIS HB3 H 3.077 . . 1275 180 180 HIS C C 174.179 . . 1276 180 180 HIS CA C 55.152 . . 1277 180 180 HIS CB C 29.261 . . 1278 180 180 HIS N N 119.114 . . 1279 181 181 LYS H H 8.52 . . 1280 181 181 LYS C C 174.649 . . 1281 181 181 LYS N N 125.019 . . 1282 182 182 PRO HA H 4.334 . . 1283 182 182 PRO HB2 H 2.274 . . 1284 182 182 PRO HB3 H 1.868 . . 1285 182 182 PRO C C 177.361 . . 1286 182 182 PRO CA C 63.613 . . 1287 182 182 PRO CB C 31.944 . . 1288 182 182 PRO N N 137.353 . . 1289 183 183 GLU H H 8.733 . . 1290 183 183 GLU HA H 4.164 . . 1291 183 183 GLU HB2 H 1.921 . . 1292 183 183 GLU HB3 H 1.921 . . 1293 183 183 GLU C C 177.023 . . 1294 183 183 GLU CA C 57.17 . . 1295 183 183 GLU CB C 29.83 . . 1296 183 183 GLU N N 120.861 . . 1297 184 184 GLU H H 8.383 . . 1298 184 184 GLU HA H 4.182 . . 1299 184 184 GLU HB2 H 2.005 . . 1300 184 184 GLU HB3 H 1.919 . . 1301 184 184 GLU C C 176.96 . . 1302 184 184 GLU CA C 56.883 . . 1303 184 184 GLU CB C 30.19 . . 1304 184 184 GLU N N 121.255 . . 1305 185 185 GLU H H 8.329 . . 1306 185 185 GLU HA H 4.107 . . 1307 185 185 GLU HB2 H 1.966 . . 1308 185 185 GLU HB3 H 1.966 . . 1309 185 185 GLU C C 177.045 . . 1310 185 185 GLU CA C 57.101 . . 1311 185 185 GLU CB C 30.177 . . 1312 185 185 GLU N N 121.554 . . 1313 186 186 GLU H H 8.404 . . 1314 186 186 GLU HA H 4.123 . . 1315 186 186 GLU HB2 H 1.946 . . 1316 186 186 GLU HB3 H 1.946 . . 1317 186 186 GLU C C 176.92 . . 1318 186 186 GLU CA C 57.129 . . 1319 186 186 GLU CB C 29.997 . . 1320 186 186 GLU N N 121.938 . . 1321 187 187 LYS H H 8.255 . . 1322 187 187 LYS HA H 4.21 . . 1323 187 187 LYS HB2 H 1.779 . . 1324 187 187 LYS HB3 H 1.779 . . 1325 187 187 LYS C C 176.917 . . 1326 187 187 LYS CA C 56.515 . . 1327 187 187 LYS CB C 32.527 . . 1328 187 187 LYS N N 122.078 . . 1329 188 188 LYS H H 8.215 . . 1330 188 188 LYS HA H 4.204 . . 1331 188 188 LYS HB2 H 1.741 . . 1332 188 188 LYS HB3 H 1.741 . . 1333 188 188 LYS C C 177.331 . . 1334 188 188 LYS CA C 56.887 . . 1335 188 188 LYS CB C 32.86 . . 1336 188 188 LYS N N 122.036 . . 1337 189 189 GLY H H 8.421 . . 1338 189 189 GLY HA2 H 3.855 . . 1339 189 189 GLY HA3 H 3.855 . . 1340 189 189 GLY C C 174.247 . . 1341 189 189 GLY CA C 45.296 . . 1342 189 189 GLY N N 109.472 . . 1343 190 190 PHE H H 8.09 . . 1344 190 190 PHE N N 120.138 . . 1345 198 198 LEU C C 175.285 . . 1346 199 199 PRO HA H 4.352 . . 1347 199 199 PRO HB2 H 2.246 . . 1348 199 199 PRO HB3 H 1.844 . . 1349 199 199 PRO C C 177.641 . . 1350 199 199 PRO CA C 63.356 . . 1351 199 199 PRO CB C 32.038 . . 1352 199 199 PRO N N 136.193 . . 1353 200 200 GLY H H 8.488 . . 1354 200 200 GLY HA2 H 3.859 . . 1355 200 200 GLY HA3 H 3.859 . . 1356 200 200 GLY C C 174.066 . . 1357 200 200 GLY CA C 45.171 . . 1358 200 200 GLY N N 109.103 . . 1359 201 201 HIS H H 8.221 . . 1360 201 201 HIS HA H 4.633 . . 1361 201 201 HIS HB2 H 3.175 . . 1362 201 201 HIS HB3 H 3.098 . . 1363 201 201 HIS C C 175.014 . . 1364 201 201 HIS CA C 55.759 . . 1365 201 201 HIS CB C 30.056 . . 1366 201 201 HIS N N 118.608 . . 1367 202 202 SER H H 8.345 . . 1368 202 202 SER HA H 4.381 . . 1369 202 202 SER HB2 H 3.783 . . 1370 202 202 SER HB3 H 3.783 . . 1371 202 202 SER C C 174.161 . . 1372 202 202 SER CA C 58.277 . . 1373 202 202 SER CB C 63.826 . . 1374 202 202 SER N N 117.367 . . 1375 203 203 LYS H H 8.439 . . 1376 203 203 LYS HA H 4.285 . . 1377 203 203 LYS HB2 H 1.774 . . 1378 203 203 LYS HB3 H 1.676 . . 1379 203 203 LYS C C 176.276 . . 1380 203 203 LYS CA C 56.091 . . 1381 203 203 LYS CB C 33.143 . . 1382 203 203 LYS N N 123.573 . . 1383 204 204 LYS H H 8.527 . . 1384 204 204 LYS C C 174.928 . . 1385 204 204 LYS N N 125.079 . . 1386 205 205 PRO HA H 4.313 . . 1387 205 205 PRO HB2 H 2.266 . . 1388 205 205 PRO HB3 H 1.867 . . 1389 205 205 PRO C C 177.361 . . 1390 205 205 PRO CA C 63.691 . . 1391 205 205 PRO CB C 31.956 . . 1392 205 205 PRO N N 138.135 . . 1393 206 206 GLU H H 8.813 . . 1394 206 206 GLU HA H 4.174 . . 1395 206 206 GLU HB2 H 2.004 . . 1396 206 206 GLU HB3 H 1.878 . . 1397 206 206 GLU C C 176.541 . . 1398 206 206 GLU CA C 56.971 . . 1399 206 206 GLU CB C 29.676 . . 1400 206 206 GLU N N 120.258 . . 1401 207 207 ASP H H 8.259 . . 1402 207 207 ASP HA H 4.567 . . 1403 207 207 ASP HB2 H 2.694 . . 1404 207 207 ASP HB3 H 2.609 . . 1405 207 207 ASP C C 176.479 . . 1406 207 207 ASP CA C 54.545 . . 1407 207 207 ASP CB C 41.11 . . 1408 207 207 ASP N N 121.494 . . 1409 208 208 SER H H 8.197 . . 1410 208 208 SER HA H 4.358 . . 1411 208 208 SER HB2 H 3.83 . . 1412 208 208 SER HB3 H 3.83 . . 1413 208 208 SER C C 174.512 . . 1414 208 208 SER CA C 58.6 . . 1415 208 208 SER CB C 63.631 . . 1416 208 208 SER N N 115.98 . . 1417 209 209 GLN H H 8.373 . . 1418 209 209 GLN HA H 4.292 . . 1419 209 209 GLN HB2 H 2.07 . . 1420 209 209 GLN HB3 H 1.936 . . 1421 209 209 GLN C C 175.863 . . 1422 209 209 GLN CA C 55.762 . . 1423 209 209 GLN CB C 29.346 . . 1424 209 209 GLN N N 122.006 . . 1425 210 210 VAL H H 8.138 . . 1426 210 210 VAL HA H 4.022 . . 1427 210 210 VAL HB H 1.978 . . 1428 210 210 VAL C C 176.091 . . 1429 210 210 VAL CA C 62.52 . . 1430 210 210 VAL CB C 32.613 . . 1431 210 210 VAL N N 122.036 . . 1432 211 211 VAL H H 8.3 . . 1433 211 211 VAL HA H 4.06 . . 1434 211 211 VAL HB H 1.983 . . 1435 211 211 VAL C C 175.665 . . 1436 211 211 VAL CA C 62.121 . . 1437 211 211 VAL CB C 32.815 . . 1438 211 211 VAL N N 124.868 . . 1439 212 212 ASN H H 8.608 . . 1440 212 212 ASN HA H 4.752 . . 1441 212 212 ASN HB2 H 2.793 . . 1442 212 212 ASN HB3 H 2.694 . . 1443 212 212 ASN C C 175.326 . . 1444 212 212 ASN CA C 53.023 . . 1445 212 212 ASN CB C 39.011 . . 1446 212 212 ASN N N 123.512 . . 1447 213 213 THR H H 8.252 . . 1448 213 213 THR HA H 4.31 . . 1449 213 213 THR HB H 4.211 . . 1450 213 213 THR C C 174.457 . . 1451 213 213 THR CA C 61.633 . . 1452 213 213 THR CB C 69.677 . . 1453 213 213 THR N N 115.136 . . 1454 214 214 THR H H 8.233 . . 1455 214 214 THR C C 172.582 . . 1456 214 214 THR N N 119.656 . . 1457 215 215 PRO HA H 4.334 . . 1458 215 215 PRO HB2 H 2.226 . . 1459 215 215 PRO HB3 H 1.814 . . 1460 215 215 PRO C C 176.603 . . 1461 215 215 PRO CA C 63.07 . . 1462 215 215 PRO CB C 32.169 . . 1463 215 215 PRO N N 139.199 . . 1464 216 216 LEU H H 8.38 . . 1465 216 216 LEU HA H 4.262 . . 1466 216 216 LEU HB2 H 1.543 . . 1467 216 216 LEU HB3 H 1.543 . . 1468 216 216 LEU C C 177.3 . . 1469 216 216 LEU CA C 55.205 . . 1470 216 216 LEU CB C 42.201 . . 1471 216 216 LEU N N 123.181 . . 1472 217 217 VAL H H 8.164 . . 1473 217 217 VAL HA H 4.061 . . 1474 217 217 VAL HB H 1.981 . . 1475 217 217 VAL C C 175.974 . . 1476 217 217 VAL CA C 62.05 . . 1477 217 217 VAL CB C 32.857 . . 1478 217 217 VAL N N 122.096 . . 1479 218 218 GLU H H 8.582 . . 1480 218 218 GLU HA H 4.302 . . 1481 218 218 GLU HB2 H 1.986 . . 1482 218 218 GLU HB3 H 1.874 . . 1483 218 218 GLU C C 176.424 . . 1484 218 218 GLU CA C 56.408 . . 1485 218 218 GLU CB C 30.47 . . 1486 218 218 GLU N N 125.682 . . 1487 219 219 THR H H 8.255 . . 1488 219 219 THR HA H 4.243 . . 1489 219 219 THR HB H 4.121 . . 1490 219 219 THR C C 174.037 . . 1491 219 219 THR CA C 61.732 . . 1492 219 219 THR CB C 69.84 . . 1493 219 219 THR N N 116.462 . . 1494 220 220 ALA H H 8.428 . . 1495 220 220 ALA HA H 4.335 . . 1496 220 220 ALA HB H 1.324 . . 1497 220 220 ALA C C 177.509 . . 1498 220 220 ALA CA C 52.265 . . 1499 220 220 ALA CB C 19.27 . . 1500 220 220 ALA N N 127.369 . . 1501 221 221 THR H H 8.277 . . 1502 221 221 THR C C 172.73 . . 1503 221 221 THR N N 117.607 . . 1504 222 222 PRO HA H 4.361 . . 1505 222 222 PRO HB2 H 2.233 . . 1506 222 222 PRO HB3 H 1.815 . . 1507 222 222 PRO C C 176.8 . . 1508 222 222 PRO CA C 63.043 . . 1509 222 222 PRO CB C 32.159 . . 1510 222 222 PRO N N 139.565 . . 1511 223 223 ILE H H 8.311 . . 1512 223 223 ILE HA H 4.031 . . 1513 223 223 ILE HB H 1.779 . . 1514 223 223 ILE C C 176.048 . . 1515 223 223 ILE CA C 61.161 . . 1516 223 223 ILE CB C 38.636 . . 1517 223 223 ILE N N 122.157 . . 1518 224 224 ALA H H 8.366 . . 1519 224 224 ALA HA H 4.259 . . 1520 224 224 ALA HB H 1.307 . . 1521 224 224 ALA C C 177.102 . . 1522 224 224 ALA CA C 52.237 . . 1523 224 224 ALA CB C 19.471 . . 1524 224 224 ALA N N 128.423 . . 1525 225 225 ASP H H 8.285 . . 1526 225 225 ASP HA H 4.499 . . 1527 225 225 ASP HB2 H 2.588 . . 1528 225 225 ASP HB3 H 2.472 . . 1529 225 225 ASP C C 175.739 . . 1530 225 225 ASP CA C 54.15 . . 1531 225 225 ASP CB C 41.094 . . 1532 225 225 ASP N N 120.349 . . 1533 226 226 ILE H H 8.127 . . 1534 226 226 ILE C C 174.513 . . 1535 226 226 ILE N N 123.061 . . 1536 227 227 PRO HA H 4.329 . . 1537 227 227 PRO HB2 H 2.263 . . 1538 227 227 PRO HB3 H 1.829 . . 1539 227 227 PRO C C 177.127 . . 1540 227 227 PRO CA C 63.259 . . 1541 227 227 PRO CB C 32.177 . . 1542 227 227 PRO N N 140.039 . . 1543 228 228 GLU H H 8.593 . . 1544 228 228 GLU HA H 4.047 . . 1545 228 228 GLU HB2 H 1.93 . . 1546 228 228 GLU HB3 H 1.93 . . 1547 228 228 GLU C C 177.061 . . 1548 228 228 GLU CA C 57.308 . . 1549 228 228 GLU CB C 30.185 . . 1550 228 228 GLU N N 121.674 . . 1551 229 229 GLU H H 8.617 . . 1552 229 229 GLU HA H 4.172 . . 1553 229 229 GLU HB2 H 1.933 . . 1554 229 229 GLU HB3 H 1.933 . . 1555 229 229 GLU C C 176.677 . . 1556 229 229 GLU CA C 56.96 . . 1557 229 229 GLU CB C 29.863 . . 1558 229 229 GLU N N 121.722 . . 1559 230 230 LYS H H 8.289 . . 1560 230 230 LYS HA H 4.261 . . 1561 230 230 LYS HB2 H 1.812 . . 1562 230 230 LYS HB3 H 1.698 . . 1563 230 230 LYS C C 176.703 . . 1564 230 230 LYS CA C 56.095 . . 1565 230 230 LYS CB C 32.665 . . 1566 230 230 LYS N N 122.126 . . 1567 231 231 LYS H H 8.21 . . 1568 231 231 LYS HA H 4.189 . . 1569 231 231 LYS HB2 H 1.731 . . 1570 231 231 LYS HB3 H 1.731 . . 1571 231 231 LYS C C 177.244 . . 1572 231 231 LYS CA C 56.954 . . 1573 231 231 LYS CB C 32.974 . . 1574 231 231 LYS N N 122.485 . . 1575 232 232 GLY H H 8.49 . . 1576 232 232 GLY HA2 H 3.855 . . 1577 232 232 GLY HA3 H 3.855 . . 1578 232 232 GLY C C 174.247 . . 1579 232 232 GLY CA C 45.296 . . 1580 232 232 GLY N N 109.713 . . 1581 233 233 PHE H H 8.09 . . 1582 233 233 PHE N N 120.138 . . 1583 241 241 LEU C C 175.267 . . 1584 242 242 PRO HA H 4.35 . . 1585 242 242 PRO HB2 H 2.249 . . 1586 242 242 PRO HB3 H 1.832 . . 1587 242 242 PRO C C 177.62 . . 1588 242 242 PRO CA C 63.482 . . 1589 242 242 PRO CB C 31.963 . . 1590 242 242 PRO N N 136.241 . . 1591 243 243 GLY H H 8.509 . . 1592 243 243 GLY HA2 H 3.842 . . 1593 243 243 GLY HA3 H 3.842 . . 1594 243 243 GLY C C 173.797 . . 1595 243 243 GLY CA C 45.011 . . 1596 243 243 GLY N N 109.322 . . 1597 244 244 TYR H H 7.936 . . 1598 244 244 TYR HA H 4.356 . . 1599 244 244 TYR HB2 H 2.97 . . 1600 244 244 TYR HB3 H 2.812 . . 1601 244 244 TYR C C 175.511 . . 1602 244 244 TYR CA C 58.453 . . 1603 244 244 TYR CB C 38.813 . . 1604 244 244 TYR N N 120.65 . . 1605 245 245 HIS H H 8.134 . . 1606 245 245 HIS HA H 4.434 . . 1607 245 245 HIS HB2 H 3.052 . . 1608 245 245 HIS HB3 H 2.916 . . 1609 245 245 HIS C C 173.427 . . 1610 245 245 HIS CA C 54.849 . . 1611 245 245 HIS CB C 29.889 . . 1612 245 245 HIS N N 122.91 . . 1613 246 246 ALA H H 8.233 . . 1614 246 246 ALA HA H 4.131 . . 1615 246 246 ALA HB H 1.321 . . 1616 246 246 ALA C C 177.54 . . 1617 246 246 ALA CA C 52.364 . . 1618 246 246 ALA CB C 19.209 . . 1619 246 246 ALA N N 125.983 . . 1620 247 247 LYS H H 8.432 . . 1621 247 247 LYS HA H 4.311 . . 1622 247 247 LYS HB2 H 1.788 . . 1623 247 247 LYS HB3 H 1.788 . . 1624 247 247 LYS C C 176.967 . . 1625 247 247 LYS CA C 56.369 . . 1626 247 247 LYS CB C 33.148 . . 1627 247 247 LYS N N 121.283 . . 1628 248 248 THR H H 8.329 . . 1629 248 248 THR HA H 4.406 . . 1630 248 248 THR HB H 4.231 . . 1631 248 248 THR C C 174.833 . . 1632 248 248 THR CA C 61.505 . . 1633 248 248 THR CB C 69.925 . . 1634 248 248 THR N N 115.92 . . 1635 249 249 THR H H 8.314 . . 1636 249 249 THR HA H 4.306 . . 1637 249 249 THR HB H 4.212 . . 1638 249 249 THR C C 175.283 . . 1639 249 249 THR CA C 62.133 . . 1640 249 249 THR CB C 69.852 . . 1641 249 249 THR N N 115.799 . . 1642 250 250 GLY H H 8.56 . . 1643 250 250 GLY HA2 H 3.976 . . 1644 250 250 GLY HA3 H 3.976 . . 1645 250 250 GLY C C 174.42 . . 1646 250 250 GLY CA C 45.362 . . 1647 250 250 GLY N N 111.461 . . 1648 251 251 GLU H H 8.255 . . 1649 251 251 GLU HA H 4.22 . . 1650 251 251 GLU HB2 H 2.012 . . 1651 251 251 GLU HB3 H 1.877 . . 1652 251 251 GLU C C 176.831 . . 1653 251 251 GLU CA C 56.64 . . 1654 251 251 GLU CB C 30.293 . . 1655 251 251 GLU N N 120.53 . . 1656 252 252 GLU H H 8.589 . . 1657 252 252 GLU HA H 4.155 . . 1658 252 252 GLU HB2 H 1.965 . . 1659 252 252 GLU HB3 H 1.919 . . 1660 252 252 GLU C C 176.708 . . 1661 252 252 GLU CA C 56.93 . . 1662 252 252 GLU CB C 30.022 . . 1663 252 252 GLU N N 121.795 . . 1664 253 253 GLU H H 8.417 . . 1665 253 253 GLU HA H 4.16 . . 1666 253 253 GLU HB2 H 1.952 . . 1667 253 253 GLU HB3 H 1.952 . . 1668 253 253 GLU C C 176.449 . . 1669 253 253 GLU CA C 56.699 . . 1670 253 253 GLU CB C 30.126 . . 1671 253 253 GLU N N 122.247 . . 1672 254 254 LYS H H 8.33 . . 1673 254 254 LYS HA H 4.236 . . 1674 254 254 LYS HB2 H 1.753 . . 1675 254 254 LYS HB3 H 1.753 . . 1676 254 254 LYS C C 176.424 . . 1677 254 254 LYS CA C 56.202 . . 1678 254 254 LYS CB C 32.728 . . 1679 254 254 LYS N N 123.058 . . 1680 255 255 LYS H H 8.318 . . 1681 255 255 LYS HA H 4.269 . . 1682 255 255 LYS HB2 H 1.772 . . 1683 255 255 LYS HB3 H 1.689 . . 1684 255 255 LYS C C 176.498 . . 1685 255 255 LYS CA C 56.034 . . 1686 255 255 LYS CB C 33.111 . . 1687 255 255 LYS N N 123.151 . . 1688 256 256 GLU H H 8.439 . . 1689 256 256 GLU HA H 4.194 . . 1690 256 256 GLU HB2 H 1.965 . . 1691 256 256 GLU HB3 H 1.859 . . 1692 256 256 GLU C C 176.159 . . 1693 256 256 GLU CA C 56.375 . . 1694 256 256 GLU CB C 30.243 . . 1695 256 256 GLU N N 122.277 . . 1696 257 257 LYS H H 8.399 . . 1697 257 257 LYS HA H 4.29 . . 1698 257 257 LYS HB2 H 1.737 . . 1699 257 257 LYS HB3 H 1.737 . . 1700 257 257 LYS C C 176.387 . . 1701 257 257 LYS CA C 56.096 . . 1702 257 257 LYS CB C 33.095 . . 1703 257 257 LYS N N 123.091 . . 1704 258 258 VAL H H 8.336 . . 1705 258 258 VAL HA H 4.119 . . 1706 258 258 VAL HB H 2.051 . . 1707 258 258 VAL C C 176.048 . . 1708 258 258 VAL CA C 62.207 . . 1709 258 258 VAL CB C 32.788 . . 1710 258 258 VAL N N 122.578 . . 1711 259 259 SER H H 8.366 . . 1712 259 259 SER HA H 4.426 . . 1713 259 259 SER HB2 H 3.805 . . 1714 259 259 SER HB3 H 3.805 . . 1715 259 259 SER C C 173.373 . . 1716 259 259 SER CA C 58.11 . . 1717 259 259 SER CB C 64.164 . . 1718 259 259 SER N N 119.746 . . 1719 260 260 ASP H H 8.068 . . 1720 260 260 ASP N N 128.144 . . stop_ save_