data_27785 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments for the first and second CUE domains from chromatin remodeler SMARCAD1 ; _BMRB_accession_number 27785 _BMRB_flat_file_name bmr27785.str _Entry_type original _Submission_date 2019-02-13 _Accession_date 2019-02-13 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'NMR resonance assignments' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Redfield Christina . . 2 Biasutto Antonio J. . 3 Mancini Erika J. . 4 West Phillip M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 701 "13C chemical shifts" 550 "15N chemical shifts" 139 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-09-20 update BMRB 'update entry citation' 2019-04-12 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27780 'N-terminal extended region and first CUE domain from chromatin remodeler SMARCAD1' stop_ _Original_release_date 2019-02-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C and 15N resonance assignments for the tandem CUE domains from chromatin remodeler SMARCAD1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30919308 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Biasutto Antonio J. . 2 West Phillip M. . 3 Mancini Erika J. . 4 Redfield Christina . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 13 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 261 _Page_last 265 _Year 2019 _Details . loop_ _Keyword 'CUE domain' NMR SMARCAD1 'chromatin remodeller' 'resonance assignment' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name dCUE _Enzyme_commission_number 'EC 3.6.4.12' loop_ _Mol_system_component_name _Mol_label dCUE $dCUE stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_dCUE _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common dCUE _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'CUE domains (recruitment domains) from chromatin remodeller' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 166 _Mol_residue_sequence ; MGSSHHHHHHSQDPDISELE DLSELEDLKDAKLQTLKELF PQRSDNDLLKLIESTSTMDG AIAAALLMFGDAGGGPRKRK LSSSSEPYEEDEFNDDQSIK KTRLDHGEESNESAESSNNW EKQESIVLKLQKEFPNFDKQ ELREVLKEHEWMYTEALESL KVFAED ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 130 MET 2 131 GLY 3 132 SER 4 133 SER 5 134 HIS 6 135 HIS 7 136 HIS 8 137 HIS 9 138 HIS 10 139 HIS 11 140 SER 12 141 GLN 13 142 ASP 14 143 PRO 15 144 ASP 16 145 ILE 17 146 SER 18 147 GLU 19 148 LEU 20 149 GLU 21 150 ASP 22 151 LEU 23 152 SER 24 153 GLU 25 154 LEU 26 155 GLU 27 156 ASP 28 157 LEU 29 158 LYS 30 159 ASP 31 160 ALA 32 161 LYS 33 162 LEU 34 163 GLN 35 164 THR 36 165 LEU 37 166 LYS 38 167 GLU 39 168 LEU 40 169 PHE 41 170 PRO 42 171 GLN 43 172 ARG 44 173 SER 45 174 ASP 46 175 ASN 47 176 ASP 48 177 LEU 49 178 LEU 50 179 LYS 51 180 LEU 52 181 ILE 53 182 GLU 54 183 SER 55 184 THR 56 185 SER 57 186 THR 58 187 MET 59 188 ASP 60 189 GLY 61 190 ALA 62 191 ILE 63 192 ALA 64 193 ALA 65 194 ALA 66 195 LEU 67 196 LEU 68 197 MET 69 198 PHE 70 199 GLY 71 200 ASP 72 201 ALA 73 202 GLY 74 203 GLY 75 204 GLY 76 205 PRO 77 206 ARG 78 207 LYS 79 208 ARG 80 209 LYS 81 210 LEU 82 211 SER 83 212 SER 84 213 SER 85 214 SER 86 215 GLU 87 216 PRO 88 217 TYR 89 218 GLU 90 219 GLU 91 220 ASP 92 221 GLU 93 222 PHE 94 223 ASN 95 224 ASP 96 225 ASP 97 226 GLN 98 227 SER 99 228 ILE 100 229 LYS 101 230 LYS 102 231 THR 103 232 ARG 104 233 LEU 105 234 ASP 106 235 HIS 107 236 GLY 108 237 GLU 109 238 GLU 110 239 SER 111 240 ASN 112 241 GLU 113 242 SER 114 243 ALA 115 244 GLU 116 245 SER 117 246 SER 118 247 ASN 119 248 ASN 120 249 TRP 121 250 GLU 122 251 LYS 123 252 GLN 124 253 GLU 125 254 SER 126 255 ILE 127 256 VAL 128 257 LEU 129 258 LYS 130 259 LEU 131 260 GLN 132 261 LYS 133 262 GLU 134 263 PHE 135 264 PRO 136 265 ASN 137 266 PHE 138 267 ASP 139 268 LYS 140 269 GLN 141 270 GLU 142 271 LEU 143 272 ARG 144 273 GLU 145 274 VAL 146 275 LEU 147 276 LYS 148 277 GLU 149 278 HIS 150 279 GLU 151 280 TRP 152 281 MET 153 282 TYR 154 283 THR 155 284 GLU 156 285 ALA 157 286 LEU 158 287 GLU 159 288 SER 160 289 LEU 161 290 LYS 162 291 VAL 163 292 PHE 164 293 ALA 165 294 GLU 166 295 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 Q9H4L7 SMARCAD1 . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $dCUE Human 9606 Eukaryota Metazoa Homo sapiens 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 $dCUE 'recombinant technology' . Escherichia coli 'Rosetta2 DE3 pLysS' pET-DUET-1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $dCUE 0.5 mM '[U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $dCUE 0.5 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 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_CCPN_Analysis _Saveframe_category software _Name CCPN_Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Home-built _Model OMEGA _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_CBCANH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 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' 160 . mM pH 7.0 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.80 internal indirect . . . 0.251449530 water H 1 protons ppm 4.80 internal direct . . . 1.0 water N 15 protons ppm 4.80 internal 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 $CCPN_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D CBCANH' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name dCUE _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 1 140 11 SER HA H 4.346 0.000 1 2 140 11 SER HB2 H 3.795 0.000 1 3 140 11 SER HB3 H 3.795 0.000 1 4 140 11 SER CA C 58.725 0.030 1 5 140 11 SER CB C 63.887 0.058 1 6 141 12 GLN H H 8.483 0.002 1 7 141 12 GLN HA H 4.332 0.016 1 8 141 12 GLN HB2 H 2.088 0.007 2 9 141 12 GLN HB3 H 1.923 0.006 2 10 141 12 GLN HG2 H 2.259 0.005 2 11 141 12 GLN HG3 H 2.299 0.003 2 12 141 12 GLN HE21 H 7.552 0.004 1 13 141 12 GLN HE22 H 6.839 0.008 1 14 141 12 GLN C C 175.327 0.014 1 15 141 12 GLN CA C 55.862 0.126 1 16 141 12 GLN CB C 29.574 0.174 1 17 141 12 GLN CG C 33.934 0.018 1 18 141 12 GLN N N 121.079 0.026 1 19 141 12 GLN NE2 N 112.022 0.025 1 20 142 13 ASP H H 8.300 0.006 1 21 142 13 ASP HA H 4.807 0.000 1 22 142 13 ASP HB2 H 2.755 0.017 2 23 142 13 ASP HB3 H 2.489 0.015 2 24 142 13 ASP C C 174.445 0.000 1 25 142 13 ASP CA C 52.687 0.012 1 26 142 13 ASP CB C 40.915 0.144 1 27 142 13 ASP N N 122.533 0.045 1 28 143 14 PRO HA H 4.351 0.000 1 29 143 14 PRO HB2 H 2.201 0.000 2 30 143 14 PRO HB3 H 1.876 0.000 2 31 143 14 PRO C C 176.701 0.000 1 32 143 14 PRO CA C 63.543 0.000 1 33 143 14 PRO CB C 32.272 0.000 1 34 143 14 PRO CG C 27.316 0.000 1 35 144 15 ASP H H 8.478 0.006 1 36 144 15 ASP HA H 4.580 0.019 1 37 144 15 ASP HB2 H 2.589 0.017 2 38 144 15 ASP HB3 H 2.694 0.025 2 39 144 15 ASP C C 176.512 0.002 1 40 144 15 ASP CA C 54.655 0.043 1 41 144 15 ASP CB C 41.327 0.022 1 42 144 15 ASP N N 119.377 0.049 1 43 145 16 ILE H H 7.939 0.011 1 44 145 16 ILE HA H 4.178 0.018 1 45 145 16 ILE HB H 1.909 0.010 1 46 145 16 ILE HG12 H 1.157 0.000 2 47 145 16 ILE HG13 H 1.409 0.010 2 48 145 16 ILE HG2 H 0.877 0.001 1 49 145 16 ILE HD1 H 0.830 0.002 1 50 145 16 ILE C C 176.362 0.009 1 51 145 16 ILE CA C 61.485 0.032 1 52 145 16 ILE CB C 38.716 0.031 1 53 145 16 ILE CG1 C 27.224 0.000 1 54 145 16 ILE CG2 C 17.509 0.077 1 55 145 16 ILE CD1 C 13.101 0.108 1 56 145 16 ILE N N 120.082 0.036 1 57 146 17 SER H H 8.404 0.032 1 58 146 17 SER HA H 4.396 0.016 1 59 146 17 SER HB2 H 3.903 0.007 2 60 146 17 SER HB3 H 3.851 0.014 2 61 146 17 SER C C 174.768 0.024 1 62 146 17 SER CA C 59.107 0.132 1 63 146 17 SER CB C 63.854 0.016 1 64 146 17 SER N N 118.888 0.037 1 65 147 18 GLU H H 8.385 0.004 1 66 147 18 GLU HA H 4.329 0.000 1 67 147 18 GLU HB2 H 1.926 0.021 2 68 147 18 GLU HB3 H 2.068 0.019 2 69 147 18 GLU HG3 H 2.243 0.000 1 70 147 18 GLU C C 176.431 0.013 1 71 147 18 GLU CA C 56.775 0.019 1 72 147 18 GLU CB C 30.228 0.069 1 73 147 18 GLU CG C 36.329 0.000 1 74 147 18 GLU N N 122.027 0.023 1 75 148 19 LEU H H 8.085 0.005 1 76 148 19 LEU HA H 4.320 0.000 1 77 148 19 LEU HB2 H 1.626 0.000 2 78 148 19 LEU HB3 H 1.595 0.043 2 79 148 19 LEU HG H 1.611 0.002 1 80 148 19 LEU HD1 H 0.822 0.002 2 81 148 19 LEU HD2 H 0.875 0.000 2 82 148 19 LEU C C 177.466 0.012 1 83 148 19 LEU CA C 55.488 0.016 1 84 148 19 LEU CB C 42.442 0.079 1 85 148 19 LEU CG C 27.441 0.000 1 86 148 19 LEU CD1 C 23.589 0.000 2 87 148 19 LEU CD2 C 25.034 0.000 2 88 148 19 LEU N N 121.487 0.025 1 89 149 20 GLU H H 8.319 0.011 1 90 149 20 GLU HB2 H 1.981 0.000 1 91 149 20 GLU HG3 H 2.685 0.000 1 92 149 20 GLU C C 176.052 0.041 1 93 149 20 GLU CA C 56.964 0.035 1 94 149 20 GLU CB C 30.549 0.000 1 95 149 20 GLU N N 120.669 0.188 1 96 150 21 ASP H H 8.375 0.014 1 97 150 21 ASP HA H 4.632 0.000 1 98 150 21 ASP HB2 H 2.788 0.000 2 99 150 21 ASP HB3 H 2.620 0.000 2 100 150 21 ASP C C 176.460 0.018 1 101 150 21 ASP CA C 54.278 0.009 1 102 150 21 ASP CB C 41.292 0.000 1 103 150 21 ASP N N 120.844 0.026 1 104 151 22 LEU H H 8.359 0.005 1 105 151 22 LEU HA H 4.341 0.020 1 106 151 22 LEU HB2 H 1.675 0.021 2 107 151 22 LEU HB3 H 1.633 0.000 2 108 151 22 LEU HD1 H 0.894 0.001 2 109 151 22 LEU HD2 H 0.891 0.000 2 110 151 22 LEU C C 178.128 0.021 1 111 151 22 LEU CA C 55.701 0.085 1 112 151 22 LEU CB C 42.068 0.072 1 113 151 22 LEU CG C 27.198 0.000 1 114 151 22 LEU CD1 C 25.151 0.071 2 115 151 22 LEU CD2 C 23.446 0.000 2 116 151 22 LEU N N 123.346 0.033 1 117 152 23 SER H H 8.404 0.006 1 118 152 23 SER HA H 4.303 0.017 1 119 152 23 SER HB2 H 3.890 0.004 2 120 152 23 SER HB3 H 3.891 0.003 2 121 152 23 SER C C 175.253 0.034 1 122 152 23 SER CA C 60.001 0.150 1 123 152 23 SER CB C 63.397 0.036 1 124 152 23 SER N N 116.167 0.052 1 125 153 24 GLU H H 8.353 0.018 1 126 153 24 GLU HA H 4.278 0.014 1 127 153 24 GLU HB2 H 1.973 0.015 2 128 153 24 GLU HB3 H 2.098 0.018 2 129 153 24 GLU C C 177.268 0.012 1 130 153 24 GLU CA C 57.396 0.016 1 131 153 24 GLU CB C 29.976 0.123 1 132 153 24 GLU N N 121.621 0.039 1 133 154 25 LEU H H 8.019 0.009 1 134 154 25 LEU HA H 4.225 0.028 1 135 154 25 LEU HB2 H 1.747 0.004 2 136 154 25 LEU HB3 H 1.751 0.000 2 137 154 25 LEU HG H 1.622 0.000 1 138 154 25 LEU C C 178.550 0.019 1 139 154 25 LEU CA C 56.497 0.018 1 140 154 25 LEU CB C 42.232 0.000 1 141 154 25 LEU N N 120.704 0.059 1 142 155 26 GLU H H 8.298 0.013 1 143 155 26 GLU HA H 4.159 0.018 1 144 155 26 GLU HB2 H 2.029 0.016 1 145 155 26 GLU C C 177.181 0.000 1 146 155 26 GLU CA C 58.005 0.078 1 147 155 26 GLU CB C 30.275 0.051 1 148 155 26 GLU N N 120.371 0.094 1 149 156 27 ASP H H 8.297 0.004 1 150 156 27 ASP HA H 4.513 0.000 1 151 156 27 ASP HB2 H 2.690 0.000 1 152 156 27 ASP HB3 H 2.690 0.000 1 153 156 27 ASP C C 177.659 0.012 1 154 156 27 ASP CA C 55.643 0.085 1 155 156 27 ASP CB C 40.901 0.079 1 156 156 27 ASP N N 120.378 0.027 1 157 157 28 LEU H H 8.137 0.006 1 158 157 28 LEU HA H 4.295 0.021 1 159 157 28 LEU HB2 H 1.717 0.000 2 160 157 28 LEU HB3 H 1.747 0.021 2 161 157 28 LEU HD1 H 0.903 0.031 2 162 157 28 LEU HD2 H 0.940 0.001 2 163 157 28 LEU C C 178.369 0.019 1 164 157 28 LEU CA C 56.634 0.043 1 165 157 28 LEU CB C 42.164 0.032 1 166 157 28 LEU CG C 27.103 0.000 1 167 157 28 LEU CD1 C 23.820 0.000 2 168 157 28 LEU CD2 C 24.993 0.000 2 169 157 28 LEU N N 121.893 0.019 1 170 158 29 LYS H H 8.074 0.009 1 171 158 29 LYS HA H 3.902 0.023 1 172 158 29 LYS HB2 H 1.871 0.003 2 173 158 29 LYS HB3 H 1.875 0.005 2 174 158 29 LYS HG2 H 1.374 0.010 1 175 158 29 LYS HG3 H 1.374 0.010 1 176 158 29 LYS HD2 H 1.679 0.004 1 177 158 29 LYS HD3 H 1.679 0.004 1 178 158 29 LYS HE2 H 2.914 0.000 1 179 158 29 LYS HE3 H 2.914 0.000 1 180 158 29 LYS C C 177.835 0.013 1 181 158 29 LYS CA C 59.999 0.070 1 182 158 29 LYS CB C 32.422 0.038 1 183 158 29 LYS CG C 24.842 0.000 1 184 158 29 LYS CD C 29.722 0.000 1 185 158 29 LYS CE C 41.764 0.000 1 186 158 29 LYS N N 120.483 0.061 1 187 159 30 ASP H H 8.223 0.009 1 188 159 30 ASP HA H 4.431 0.016 1 189 159 30 ASP HB3 H 2.684 0.009 1 190 159 30 ASP C C 178.061 0.027 1 191 159 30 ASP CA C 57.022 0.000 1 192 159 30 ASP CB C 41.184 0.030 1 193 159 30 ASP N N 117.986 0.033 1 194 160 31 ALA H H 8.013 0.012 1 195 160 31 ALA HA H 4.152 0.020 1 196 160 31 ALA HB H 1.481 0.007 1 197 160 31 ALA C C 180.849 0.017 1 198 160 31 ALA CA C 55.118 0.066 1 199 160 31 ALA CB C 18.364 0.155 1 200 160 31 ALA N N 122.397 0.032 1 201 161 32 LYS H H 8.100 0.012 1 202 161 32 LYS HA H 4.040 0.020 1 203 161 32 LYS HB2 H 1.639 0.007 2 204 161 32 LYS HB3 H 2.001 0.004 2 205 161 32 LYS HE2 H 2.761 0.009 1 206 161 32 LYS HE3 H 2.761 0.009 1 207 161 32 LYS C C 178.246 0.000 1 208 161 32 LYS CA C 60.012 0.051 1 209 161 32 LYS CB C 33.325 0.091 1 210 161 32 LYS CE C 42.219 0.028 1 211 161 32 LYS N N 118.617 0.067 1 212 162 33 LEU HA H 3.903 0.004 1 213 162 33 LEU HB2 H 1.385 0.007 2 214 162 33 LEU HB3 H 2.045 0.006 2 215 162 33 LEU HG H 1.469 0.018 1 216 162 33 LEU HD1 H 0.896 0.007 2 217 162 33 LEU HD2 H 0.910 0.004 2 218 162 33 LEU C C 178.057 0.000 1 219 162 33 LEU CA C 58.458 0.041 1 220 162 33 LEU CB C 41.182 0.053 1 221 162 33 LEU CG C 27.119 0.231 1 222 162 33 LEU CD1 C 25.897 0.000 2 223 162 33 LEU CD2 C 24.298 0.011 2 224 163 34 GLN H H 8.271 0.009 1 225 163 34 GLN HA H 3.895 0.023 1 226 163 34 GLN HB3 H 2.133 0.024 1 227 163 34 GLN HG2 H 2.506 0.007 2 228 163 34 GLN HG3 H 2.429 0.003 2 229 163 34 GLN HE21 H 7.645 0.002 1 230 163 34 GLN HE22 H 6.859 0.000 1 231 163 34 GLN C C 178.808 0.014 1 232 163 34 GLN CA C 58.947 0.082 1 233 163 34 GLN CB C 27.808 0.076 1 234 163 34 GLN CG C 33.502 0.004 1 235 163 34 GLN N N 116.330 0.051 1 236 163 34 GLN NE2 N 112.769 0.009 1 237 164 35 THR H H 7.807 0.006 1 238 164 35 THR HA H 3.955 0.016 1 239 164 35 THR HB H 4.313 0.021 1 240 164 35 THR HG2 H 1.223 0.016 1 241 164 35 THR C C 176.592 0.012 1 242 164 35 THR CA C 66.923 0.186 1 243 164 35 THR CB C 68.775 0.119 1 244 164 35 THR CG2 C 21.610 0.216 1 245 164 35 THR N N 115.627 0.039 1 246 165 36 LEU H H 8.117 0.010 1 247 165 36 LEU HA H 4.168 0.019 1 248 165 36 LEU HB2 H 1.733 0.008 2 249 165 36 LEU HB3 H 1.954 0.019 2 250 165 36 LEU HG H 1.872 0.003 1 251 165 36 LEU HD2 H 0.906 0.010 1 252 165 36 LEU C C 178.454 0.025 1 253 165 36 LEU CA C 58.318 0.077 1 254 165 36 LEU CB C 42.590 0.034 1 255 165 36 LEU CG C 27.454 0.598 1 256 165 36 LEU CD2 C 26.288 0.066 1 257 165 36 LEU N N 120.266 0.069 1 258 166 37 LYS H H 8.893 0.010 1 259 166 37 LYS HA H 3.803 0.016 1 260 166 37 LYS HB2 H 1.833 0.007 2 261 166 37 LYS HB3 H 1.687 0.017 2 262 166 37 LYS C C 178.503 0.020 1 263 166 37 LYS CA C 59.010 0.046 1 264 166 37 LYS CB C 32.126 0.045 1 265 166 37 LYS CG C 24.995 0.000 1 266 166 37 LYS CD C 29.280 0.000 1 267 166 37 LYS N N 119.325 0.046 1 268 167 38 GLU H H 7.371 0.012 1 269 167 38 GLU HA H 3.933 0.019 1 270 167 38 GLU HB2 H 2.037 0.022 2 271 167 38 GLU HB3 H 2.146 0.024 2 272 167 38 GLU HG2 H 2.206 0.005 2 273 167 38 GLU HG3 H 2.454 0.023 2 274 167 38 GLU C C 178.505 0.020 1 275 167 38 GLU CA C 58.573 0.041 1 276 167 38 GLU CB C 29.699 0.094 1 277 167 38 GLU CG C 36.453 0.083 1 278 167 38 GLU N N 115.620 0.052 1 279 168 39 LEU H H 7.184 0.008 1 280 168 39 LEU HA H 3.915 0.021 1 281 168 39 LEU HB2 H 0.754 0.029 2 282 168 39 LEU HB3 H 1.671 0.020 2 283 168 39 LEU HD1 H 0.695 0.012 2 284 168 39 LEU HD2 H 0.836 0.005 2 285 168 39 LEU C C 176.696 0.016 1 286 168 39 LEU CA C 56.558 0.085 1 287 168 39 LEU CB C 44.163 0.107 1 288 168 39 LEU CD1 C 22.703 0.106 2 289 168 39 LEU CD2 C 25.710 0.090 2 290 168 39 LEU N N 117.279 0.027 1 291 169 40 PHE H H 8.070 0.010 1 292 169 40 PHE HA H 4.944 0.012 1 293 169 40 PHE HB2 H 2.818 0.022 2 294 169 40 PHE HB3 H 2.907 0.010 2 295 169 40 PHE HD1 H 7.376 0.010 3 296 169 40 PHE HD2 H 7.376 0.010 3 297 169 40 PHE HE1 H 7.234 0.000 3 298 169 40 PHE HE2 H 7.234 0.000 3 299 169 40 PHE HZ H 7.185 0.000 1 300 169 40 PHE C C 173.094 0.000 1 301 169 40 PHE CA C 55.578 0.000 1 302 169 40 PHE CB C 39.081 0.000 1 303 169 40 PHE CD1 C 132.798 0.030 3 304 169 40 PHE CD2 C 132.798 0.030 3 305 169 40 PHE N N 115.719 0.054 1 306 170 41 PRO HA H 4.571 0.002 1 307 170 41 PRO HB2 H 1.919 0.004 2 308 170 41 PRO HB3 H 2.330 0.003 2 309 170 41 PRO HD2 H 3.221 0.013 2 310 170 41 PRO HD3 H 3.478 0.017 2 311 170 41 PRO C C 178.089 0.000 1 312 170 41 PRO CA C 64.647 0.039 1 313 170 41 PRO CB C 32.386 0.062 1 314 170 41 PRO CD C 50.288 0.045 1 315 171 42 GLN H H 8.656 0.011 1 316 171 42 GLN HA H 4.307 0.013 1 317 171 42 GLN HB2 H 2.214 0.014 2 318 171 42 GLN HB3 H 2.002 0.015 2 319 171 42 GLN HG2 H 2.275 0.004 2 320 171 42 GLN HG3 H 2.372 0.004 2 321 171 42 GLN HE21 H 7.577 0.004 1 322 171 42 GLN HE22 H 6.954 0.000 1 323 171 42 GLN C C 176.284 0.019 1 324 171 42 GLN CA C 56.246 0.140 1 325 171 42 GLN CB C 28.245 0.089 1 326 171 42 GLN CG C 34.347 0.092 1 327 171 42 GLN N N 114.598 0.047 1 328 171 42 GLN NE2 N 111.597 0.013 1 329 172 43 ARG H H 7.500 0.012 1 330 172 43 ARG HA H 4.428 0.010 1 331 172 43 ARG HB2 H 1.545 0.018 2 332 172 43 ARG HB3 H 1.765 0.016 2 333 172 43 ARG HG2 H 1.274 0.005 2 334 172 43 ARG HG3 H 0.706 0.000 2 335 172 43 ARG HD2 H 2.264 0.006 2 336 172 43 ARG HD3 H 2.607 0.004 2 337 172 43 ARG C C 175.542 0.012 1 338 172 43 ARG CA C 53.002 0.068 1 339 172 43 ARG CB C 30.126 0.052 1 340 172 43 ARG CG C 25.771 0.060 1 341 172 43 ARG CD C 41.688 0.053 1 342 172 43 ARG N N 117.621 0.045 1 343 173 44 SER H H 8.956 0.007 1 344 173 44 SER HA H 4.346 0.013 1 345 173 44 SER HB2 H 3.965 0.006 1 346 173 44 SER HB3 H 3.965 0.006 1 347 173 44 SER C C 174.824 0.019 1 348 173 44 SER CA C 57.568 0.066 1 349 173 44 SER CB C 64.964 0.081 1 350 173 44 SER N N 117.460 0.037 1 351 174 45 ASP H H 8.901 0.009 1 352 174 45 ASP HA H 4.179 0.016 1 353 174 45 ASP HB2 H 2.572 0.000 2 354 174 45 ASP HB3 H 2.608 0.021 2 355 174 45 ASP C C 178.126 0.016 1 356 174 45 ASP CA C 58.109 0.047 1 357 174 45 ASP CB C 39.515 0.000 1 358 174 45 ASP N N 122.525 0.016 1 359 175 46 ASN H H 8.405 0.007 1 360 175 46 ASN HA H 4.349 0.016 1 361 175 46 ASN HB2 H 2.698 0.016 2 362 175 46 ASN HB3 H 2.682 0.002 2 363 175 46 ASN HD21 H 7.674 0.000 1 364 175 46 ASN HD22 H 6.984 0.000 1 365 175 46 ASN C C 177.629 0.011 1 366 175 46 ASN CA C 56.768 0.031 1 367 175 46 ASN CB C 38.397 0.093 1 368 175 46 ASN N N 114.805 0.027 1 369 175 46 ASN ND2 N 112.368 0.003 1 370 176 47 ASP H H 7.727 0.009 1 371 176 47 ASP HA H 4.403 0.000 1 372 176 47 ASP HB2 H 2.558 0.017 2 373 176 47 ASP HB3 H 2.920 0.016 2 374 176 47 ASP C C 178.538 0.018 1 375 176 47 ASP CA C 57.443 0.060 1 376 176 47 ASP CB C 40.898 0.047 1 377 176 47 ASP N N 119.357 0.042 1 378 177 48 LEU H H 7.736 0.005 1 379 177 48 LEU HA H 4.086 0.013 1 380 177 48 LEU HB3 H 1.914 0.015 1 381 177 48 LEU HD1 H 0.775 0.006 2 382 177 48 LEU HD2 H 0.847 0.001 2 383 177 48 LEU C C 179.134 0.010 1 384 177 48 LEU CA C 57.644 0.097 1 385 177 48 LEU CB C 41.449 0.113 1 386 177 48 LEU CD1 C 21.962 0.047 2 387 177 48 LEU CD2 C 25.852 0.000 2 388 177 48 LEU N N 117.897 0.044 1 389 178 49 LEU H H 8.989 0.008 1 390 178 49 LEU HA H 4.010 0.000 1 391 178 49 LEU HB2 H 1.542 0.000 2 392 178 49 LEU HB3 H 1.816 0.030 2 393 178 49 LEU C C 179.267 0.026 1 394 178 49 LEU CA C 58.295 0.087 1 395 178 49 LEU CB C 41.816 0.226 1 396 178 49 LEU N N 119.830 0.036 1 397 179 50 LYS H H 7.561 0.009 1 398 179 50 LYS HA H 4.089 0.000 1 399 179 50 LYS HB2 H 1.965 0.000 1 400 179 50 LYS HB3 H 1.965 0.000 1 401 179 50 LYS C C 179.808 0.019 1 402 179 50 LYS CA C 59.388 0.060 1 403 179 50 LYS CB C 32.183 0.037 1 404 179 50 LYS N N 117.204 0.018 1 405 180 51 LEU H H 7.298 0.012 1 406 180 51 LEU HA H 4.008 0.016 1 407 180 51 LEU HB2 H 2.032 0.008 2 408 180 51 LEU HB3 H 1.360 0.009 2 409 180 51 LEU HG H 1.802 0.000 1 410 180 51 LEU HD1 H 0.679 0.002 2 411 180 51 LEU HD2 H 0.745 0.004 2 412 180 51 LEU C C 179.407 0.014 1 413 180 51 LEU CA C 57.607 0.066 1 414 180 51 LEU CB C 41.711 0.272 1 415 180 51 LEU CG C 26.438 0.000 1 416 180 51 LEU CD1 C 23.168 0.117 2 417 180 51 LEU CD2 C 25.901 0.078 2 418 180 51 LEU N N 118.645 0.036 1 419 181 52 ILE H H 7.872 0.007 1 420 181 52 ILE HA H 3.549 0.017 1 421 181 52 ILE HB H 1.990 0.002 1 422 181 52 ILE HG12 H 1.696 0.005 2 423 181 52 ILE HG13 H 0.859 0.009 2 424 181 52 ILE HG2 H 0.860 0.009 1 425 181 52 ILE HD1 H 0.779 0.017 1 426 181 52 ILE C C 178.094 0.003 1 427 181 52 ILE CA C 64.683 0.066 1 428 181 52 ILE CB C 38.330 0.073 1 429 181 52 ILE CG1 C 30.128 0.216 1 430 181 52 ILE CG2 C 17.532 0.086 1 431 181 52 ILE CD1 C 13.724 0.055 1 432 181 52 ILE N N 120.115 0.046 1 433 182 53 GLU H H 8.291 0.005 1 434 182 53 GLU HA H 4.148 0.017 1 435 182 53 GLU HB2 H 2.080 0.001 2 436 182 53 GLU HB3 H 2.061 0.001 2 437 182 53 GLU HG2 H 2.247 0.003 2 438 182 53 GLU HG3 H 2.432 0.001 2 439 182 53 GLU C C 177.514 0.010 1 440 182 53 GLU CA C 58.403 0.040 1 441 182 53 GLU CB C 30.034 0.042 1 442 182 53 GLU CG C 36.775 0.000 1 443 182 53 GLU N N 116.118 0.107 1 444 183 54 SER H H 7.547 0.011 1 445 183 54 SER HA H 4.581 0.002 1 446 183 54 SER HB2 H 3.914 0.003 1 447 183 54 SER HB3 H 3.914 0.003 1 448 183 54 SER C C 173.584 0.019 1 449 183 54 SER CA C 58.911 0.074 1 450 183 54 SER CB C 64.537 0.016 1 451 183 54 SER N N 110.522 0.024 1 452 184 55 THR H H 7.414 0.012 1 453 184 55 THR HA H 4.726 0.020 1 454 184 55 THR HB H 4.206 0.010 1 455 184 55 THR HG2 H 1.076 0.011 1 456 184 55 THR C C 173.948 0.000 1 457 184 55 THR CA C 60.540 0.047 1 458 184 55 THR CB C 72.563 0.040 1 459 184 55 THR CG2 C 21.713 0.092 1 460 184 55 THR N N 111.205 0.046 1 461 185 56 SER HA H 4.639 0.003 1 462 185 56 SER HB2 H 3.920 0.000 1 463 185 56 SER HB3 H 3.920 0.000 1 464 185 56 SER C C 175.099 0.000 1 465 185 56 SER CA C 59.506 0.116 1 466 185 56 SER CB C 64.831 0.051 1 467 186 57 THR H H 7.624 0.010 1 468 186 57 THR HA H 4.828 0.011 1 469 186 57 THR HB H 4.630 0.011 1 470 186 57 THR HG2 H 1.237 0.014 1 471 186 57 THR C C 175.153 0.000 1 472 186 57 THR CA C 59.088 0.101 1 473 186 57 THR CB C 73.060 0.137 1 474 186 57 THR CG2 C 21.891 0.099 1 475 186 57 THR N N 108.774 0.039 1 476 187 58 MET HA H 4.361 0.007 1 477 187 58 MET HB2 H 2.260 0.006 2 478 187 58 MET HB3 H 2.027 0.003 2 479 187 58 MET HG2 H 2.475 0.005 2 480 187 58 MET HG3 H 2.774 0.004 2 481 187 58 MET HE H 2.151 0.003 1 482 187 58 MET C C 177.666 0.000 1 483 187 58 MET CA C 57.881 0.070 1 484 187 58 MET CB C 33.059 0.073 1 485 187 58 MET CG C 32.446 0.472 1 486 187 58 MET CE C 18.037 0.060 1 487 188 59 ASP H H 8.643 0.012 1 488 188 59 ASP HA H 4.356 0.014 1 489 188 59 ASP HB2 H 2.541 0.026 2 490 188 59 ASP HB3 H 2.596 0.010 2 491 188 59 ASP C C 179.431 0.014 1 492 188 59 ASP CA C 57.560 0.077 1 493 188 59 ASP CB C 40.243 0.078 1 494 188 59 ASP N N 117.273 0.057 1 495 189 60 GLY H H 8.406 0.006 1 496 189 60 GLY HA2 H 3.862 0.021 2 497 189 60 GLY HA3 H 4.004 0.000 2 498 189 60 GLY C C 176.416 0.022 1 499 189 60 GLY CA C 46.657 0.116 1 500 189 60 GLY N N 108.836 0.032 1 501 190 61 ALA H H 8.160 0.006 1 502 190 61 ALA HA H 3.991 0.014 1 503 190 61 ALA HB H 1.495 0.015 1 504 190 61 ALA C C 178.857 0.016 1 505 190 61 ALA CA C 56.188 0.137 1 506 190 61 ALA CB C 17.703 0.167 1 507 190 61 ALA N N 127.599 0.033 1 508 191 62 ILE H H 8.337 0.013 1 509 191 62 ILE HA H 3.541 0.019 1 510 191 62 ILE HB H 1.885 0.022 1 511 191 62 ILE HG12 H 0.859 0.003 2 512 191 62 ILE HG13 H 1.917 0.010 2 513 191 62 ILE HG2 H 0.983 0.009 1 514 191 62 ILE HD1 H 0.866 0.015 1 515 191 62 ILE C C 177.425 0.005 1 516 191 62 ILE CA C 66.227 0.051 1 517 191 62 ILE CB C 38.654 0.062 1 518 191 62 ILE CG1 C 30.492 0.128 1 519 191 62 ILE CG2 C 17.119 0.029 1 520 191 62 ILE CD1 C 13.873 0.063 1 521 191 62 ILE N N 117.407 0.051 1 522 192 63 ALA H H 8.025 0.011 1 523 192 63 ALA HA H 4.065 0.016 1 524 192 63 ALA HB H 1.473 0.016 1 525 192 63 ALA C C 180.696 0.003 1 526 192 63 ALA CA C 55.292 0.102 1 527 192 63 ALA CB C 18.126 0.107 1 528 192 63 ALA N N 119.821 0.061 1 529 193 64 ALA H H 8.069 0.009 1 530 193 64 ALA HA H 4.022 0.021 1 531 193 64 ALA HB H 1.378 0.014 1 532 193 64 ALA C C 179.804 0.020 1 533 193 64 ALA CA C 54.713 0.086 1 534 193 64 ALA CB C 18.680 0.243 1 535 193 64 ALA N N 119.224 0.037 1 536 194 65 ALA H H 8.325 0.007 1 537 194 65 ALA HA H 3.355 0.017 1 538 194 65 ALA HB H 0.977 0.013 1 539 194 65 ALA C C 178.780 0.018 1 540 194 65 ALA CA C 54.856 0.110 1 541 194 65 ALA CB C 18.521 0.066 1 542 194 65 ALA N N 122.655 0.033 1 543 195 66 LEU H H 8.386 0.009 1 544 195 66 LEU HA H 4.099 0.019 1 545 195 66 LEU HB2 H 1.898 0.003 2 546 195 66 LEU HB3 H 1.535 0.006 2 547 195 66 LEU HG H 1.953 0.005 1 548 195 66 LEU HD1 H 1.038 0.003 2 549 195 66 LEU HD2 H 0.959 0.004 2 550 195 66 LEU C C 180.248 0.024 1 551 195 66 LEU CA C 57.929 0.105 1 552 195 66 LEU CB C 42.047 0.051 1 553 195 66 LEU CG C 27.619 0.000 1 554 195 66 LEU CD1 C 25.624 0.079 2 555 195 66 LEU CD2 C 23.417 0.047 2 556 195 66 LEU N N 118.048 0.032 1 557 196 67 LEU H H 7.348 0.010 1 558 196 67 LEU HA H 4.090 0.020 1 559 196 67 LEU HB2 H 1.665 0.000 2 560 196 67 LEU HB3 H 1.543 0.006 2 561 196 67 LEU HG H 1.612 0.000 1 562 196 67 LEU HD1 H 0.832 0.005 2 563 196 67 LEU HD2 H 0.820 0.008 2 564 196 67 LEU C C 178.595 0.020 1 565 196 67 LEU CA C 57.305 0.066 1 566 196 67 LEU CB C 42.351 0.110 1 567 196 67 LEU CG C 27.033 0.000 1 568 196 67 LEU CD1 C 24.511 0.000 2 569 196 67 LEU CD2 C 24.030 0.000 2 570 196 67 LEU N N 117.715 0.022 1 571 197 68 MET H H 7.766 0.012 1 572 197 68 MET HA H 3.994 0.014 1 573 197 68 MET HB2 H 1.403 0.013 2 574 197 68 MET HB3 H 1.154 0.011 2 575 197 68 MET HG2 H 1.896 0.010 2 576 197 68 MET HG3 H 2.068 0.005 2 577 197 68 MET HE H 1.855 0.008 1 578 197 68 MET C C 177.722 0.013 1 579 197 68 MET CA C 57.797 0.127 1 580 197 68 MET CB C 32.718 0.703 1 581 197 68 MET CG C 31.633 0.085 1 582 197 68 MET CE C 17.012 0.083 1 583 197 68 MET N N 116.746 0.044 1 584 198 69 PHE H H 8.445 0.009 1 585 198 69 PHE HA H 4.945 0.018 1 586 198 69 PHE HB2 H 3.310 0.024 2 587 198 69 PHE HB3 H 2.768 0.020 2 588 198 69 PHE HD1 H 6.753 0.005 3 589 198 69 PHE HD2 H 6.753 0.005 3 590 198 69 PHE HE1 H 6.994 0.003 3 591 198 69 PHE HE2 H 6.994 0.003 3 592 198 69 PHE C C 177.084 0.024 1 593 198 69 PHE CA C 55.872 0.060 1 594 198 69 PHE CB C 39.400 0.122 1 595 198 69 PHE CD1 C 130.919 0.011 3 596 198 69 PHE CD2 C 130.919 0.011 3 597 198 69 PHE CE1 C 130.759 0.032 3 598 198 69 PHE CE2 C 130.759 0.032 3 599 198 69 PHE N N 115.057 0.045 1 600 199 70 GLY H H 7.764 0.009 1 601 199 70 GLY HA2 H 4.154 0.000 2 602 199 70 GLY HA3 H 4.109 0.004 2 603 199 70 GLY C C 173.147 0.017 1 604 199 70 GLY CA C 45.606 0.071 1 605 199 70 GLY N N 108.456 0.022 1 606 200 71 ASP H H 8.237 0.005 1 607 200 71 ASP HA H 4.631 0.000 1 608 200 71 ASP HB2 H 2.661 0.000 1 609 200 71 ASP HB3 H 2.661 0.000 1 610 200 71 ASP C C 176.544 0.014 1 611 200 71 ASP CA C 54.229 0.001 1 612 200 71 ASP CB C 41.924 0.000 1 613 200 71 ASP N N 118.394 0.068 1 614 201 72 ALA H H 8.440 0.006 1 615 201 72 ALA HA H 4.289 0.007 1 616 201 72 ALA HB H 1.383 0.003 1 617 201 72 ALA C C 178.503 0.019 1 618 201 72 ALA CA C 52.905 0.105 1 619 201 72 ALA CB C 19.311 0.131 1 620 201 72 ALA N N 124.245 0.034 1 621 202 73 GLY H H 8.533 0.005 1 622 202 73 GLY HA2 H 3.972 0.000 1 623 202 73 GLY HA3 H 3.972 0.000 1 624 202 73 GLY C C 174.830 0.015 1 625 202 73 GLY CA C 45.595 0.165 1 626 202 73 GLY N N 107.349 0.027 1 627 203 74 GLY H H 8.245 0.013 1 628 203 74 GLY HA2 H 4.030 0.000 1 629 203 74 GLY HA3 H 4.030 0.000 1 630 203 74 GLY C C 174.402 0.018 1 631 203 74 GLY CA C 45.403 0.054 1 632 203 74 GLY N N 107.911 0.030 1 633 204 75 GLY H H 8.221 0.020 1 634 204 75 GLY HA2 H 4.097 0.000 1 635 204 75 GLY HA3 H 4.097 0.000 1 636 204 75 GLY C C 171.829 0.000 1 637 204 75 GLY CA C 44.970 0.000 1 638 204 75 GLY N N 108.302 0.040 1 639 214 85 SER C C 175.494 0.023 1 640 214 85 SER CA C 58.594 0.019 1 641 214 85 SER CB C 63.918 0.067 1 642 215 86 GLU H H 8.201 0.006 1 643 215 86 GLU HA H 4.582 0.017 1 644 215 86 GLU HB2 H 2.010 0.000 2 645 215 86 GLU HB3 H 1.833 0.000 2 646 215 86 GLU HG2 H 2.260 0.016 1 647 215 86 GLU HG3 H 2.260 0.016 1 648 215 86 GLU C C 175.860 0.000 1 649 215 86 GLU CA C 54.482 0.019 1 650 215 86 GLU CB C 29.865 0.000 1 651 215 86 GLU CG C 35.899 0.000 1 652 215 86 GLU N N 122.636 0.058 1 653 216 87 PRO HA H 4.558 0.000 1 654 216 87 PRO HB2 H 2.238 0.000 2 655 216 87 PRO HB3 H 2.048 0.000 2 656 216 87 PRO C C 175.726 0.000 1 657 216 87 PRO CA C 62.535 0.028 1 658 216 87 PRO CB C 34.393 0.027 1 659 216 87 PRO CG C 24.705 0.000 1 660 217 88 TYR H H 8.517 0.004 1 661 217 88 TYR HA H 4.576 0.030 1 662 217 88 TYR HB2 H 3.041 0.029 2 663 217 88 TYR HB3 H 2.977 0.015 2 664 217 88 TYR HD1 H 7.105 0.004 3 665 217 88 TYR HD2 H 7.105 0.004 3 666 217 88 TYR HE1 H 6.820 0.005 3 667 217 88 TYR HE2 H 6.820 0.005 3 668 217 88 TYR C C 175.768 0.000 1 669 217 88 TYR CA C 58.075 0.049 1 670 217 88 TYR CB C 38.630 0.023 1 671 217 88 TYR CD1 C 133.207 0.005 3 672 217 88 TYR CD2 C 133.207 0.005 3 673 217 88 TYR CE1 C 118.248 0.000 3 674 217 88 TYR CE2 C 118.248 0.000 3 675 217 88 TYR N N 121.977 0.036 1 676 218 89 GLU H H 8.386 0.003 1 677 218 89 GLU HA H 4.257 0.003 1 678 218 89 GLU HB2 H 1.974 0.000 2 679 218 89 GLU HB3 H 1.826 0.001 2 680 218 89 GLU HG2 H 2.156 0.000 1 681 218 89 GLU HG3 H 2.156 0.000 1 682 218 89 GLU CA C 56.059 0.078 1 683 218 89 GLU CB C 31.026 0.024 1 684 218 89 GLU CG C 36.303 0.000 1 685 218 89 GLU N N 122.653 0.037 1 686 219 90 GLU H H 8.321 0.003 1 687 219 90 GLU CA C 57.556 0.000 1 688 219 90 GLU CB C 33.190 0.000 1 689 219 90 GLU N N 121.974 0.026 1 690 221 92 GLU HA H 4.137 0.007 1 691 221 92 GLU HB2 H 1.812 0.008 2 692 221 92 GLU HB3 H 1.810 0.006 2 693 221 92 GLU HG2 H 2.048 0.000 2 694 221 92 GLU HG3 H 1.959 0.004 2 695 221 92 GLU CA C 56.933 0.020 1 696 221 92 GLU CB C 30.509 0.129 1 697 221 92 GLU CG C 36.003 0.000 1 698 222 93 PHE H H 8.290 0.003 1 699 222 93 PHE HA H 4.617 0.003 1 700 222 93 PHE HB2 H 3.149 0.010 2 701 222 93 PHE HB3 H 3.010 0.000 2 702 222 93 PHE C C 175.459 0.000 1 703 222 93 PHE CA C 57.913 0.049 1 704 222 93 PHE CB C 39.591 0.046 1 705 222 93 PHE N N 119.841 0.055 1 706 223 94 ASN H H 8.210 0.011 1 707 223 94 ASN HA H 4.678 0.000 1 708 223 94 ASN HB2 H 2.723 0.000 2 709 223 94 ASN HB3 H 2.802 0.000 2 710 223 94 ASN C C 174.653 0.000 1 711 223 94 ASN CA C 53.161 0.000 1 712 223 94 ASN CB C 39.654 0.000 1 713 223 94 ASN N N 120.001 0.065 1 714 224 95 ASP HA H 4.521 0.013 1 715 224 95 ASP HB2 H 2.690 0.000 2 716 224 95 ASP HB3 H 2.604 0.000 2 717 224 95 ASP C C 176.093 0.000 1 718 224 95 ASP CA C 54.582 0.000 1 719 224 95 ASP CB C 41.334 0.096 1 720 225 96 ASP H H 8.280 0.005 1 721 225 96 ASP HA H 4.545 0.000 1 722 225 96 ASP HB2 H 2.727 0.000 1 723 225 96 ASP HB3 H 2.727 0.000 1 724 225 96 ASP C C 176.918 0.011 1 725 225 96 ASP CA C 58.528 0.005 1 726 225 96 ASP CB C 42.879 0.000 1 727 225 96 ASP N N 120.083 0.035 1 728 226 97 GLN H H 8.427 0.005 1 729 226 97 GLN HA H 4.218 0.018 1 730 226 97 GLN HB2 H 2.196 0.018 2 731 226 97 GLN HB3 H 1.998 0.019 2 732 226 97 GLN HG2 H 2.360 0.017 1 733 226 97 GLN HG3 H 2.360 0.017 1 734 226 97 GLN C C 176.565 0.004 1 735 226 97 GLN CA C 56.573 0.034 1 736 226 97 GLN CB C 28.866 0.021 1 737 226 97 GLN CG C 33.973 0.000 1 738 226 97 GLN N N 119.479 0.049 1 739 227 98 SER H H 8.299 0.005 1 740 227 98 SER HA H 4.333 0.000 1 741 227 98 SER HB2 H 3.926 0.015 1 742 227 98 SER HB3 H 3.926 0.015 1 743 227 98 SER C C 174.980 0.032 1 744 227 98 SER CA C 59.635 0.053 1 745 227 98 SER CB C 63.805 0.057 1 746 227 98 SER N N 115.477 0.022 1 747 228 99 ILE H H 7.918 0.005 1 748 228 99 ILE HA H 4.108 0.014 1 749 228 99 ILE HB H 1.854 0.002 1 750 228 99 ILE HG12 H 1.433 0.002 2 751 228 99 ILE HG13 H 1.154 0.003 2 752 228 99 ILE HG2 H 0.864 0.014 1 753 228 99 ILE HD1 H 0.829 0.003 1 754 228 99 ILE C C 176.411 0.020 1 755 228 99 ILE CA C 61.631 0.090 1 756 228 99 ILE CB C 38.418 0.082 1 757 228 99 ILE CG1 C 27.665 0.075 1 758 228 99 ILE CG2 C 17.540 0.052 1 759 228 99 ILE CD1 C 13.094 0.087 1 760 228 99 ILE N N 121.136 0.041 1 761 229 100 LYS H H 8.208 0.003 1 762 229 100 LYS HA H 4.270 0.000 1 763 229 100 LYS C C 176.640 0.027 1 764 229 100 LYS CA C 56.679 0.000 1 765 229 100 LYS CB C 33.017 0.073 1 766 229 100 LYS N N 123.985 0.024 1 767 230 101 LYS H H 8.275 0.006 1 768 230 101 LYS HA H 4.351 0.000 1 769 230 101 LYS C C 176.748 0.017 1 770 230 101 LYS CA C 56.652 0.057 1 771 230 101 LYS CB C 33.311 0.077 1 772 230 101 LYS N N 121.805 0.037 1 773 231 102 THR H H 8.187 0.008 1 774 231 102 THR HA H 4.273 0.009 1 775 231 102 THR HB H 4.165 0.006 1 776 231 102 THR HG2 H 1.171 0.003 1 777 231 102 THR C C 174.406 0.019 1 778 231 102 THR CA C 62.247 0.104 1 779 231 102 THR CB C 69.980 0.045 1 780 231 102 THR CG2 C 21.638 0.096 1 781 231 102 THR N N 114.968 0.112 1 782 232 103 ARG H H 8.344 0.002 1 783 232 103 ARG C C 177.002 0.000 1 784 232 103 ARG CA C 56.267 0.029 1 785 232 103 ARG CB C 31.066 0.017 1 786 232 103 ARG N N 122.964 0.032 1 787 233 104 LEU H H 8.342 0.002 1 788 233 104 LEU HA H 4.300 0.002 1 789 233 104 LEU HB2 H 1.482 0.002 2 790 233 104 LEU HB3 H 1.567 0.001 2 791 233 104 LEU HG H 1.613 0.004 1 792 233 104 LEU HD1 H 0.825 0.000 2 793 233 104 LEU HD2 H 0.891 0.000 2 794 233 104 LEU C C 177.032 0.000 1 795 233 104 LEU CA C 55.263 0.072 1 796 233 104 LEU CB C 42.342 0.075 1 797 233 104 LEU CG C 27.442 0.000 1 798 233 104 LEU CD1 C 23.392 0.000 2 799 233 104 LEU CD2 C 25.054 0.000 2 800 233 104 LEU N N 122.986 0.026 1 801 234 105 ASP H H 8.325 0.005 1 802 234 105 ASP HA H 4.557 0.000 1 803 234 105 ASP HB2 H 2.606 0.018 1 804 234 105 ASP HB3 H 2.606 0.018 1 805 234 105 ASP C C 175.976 0.015 1 806 234 105 ASP CA C 54.252 0.083 1 807 234 105 ASP CB C 41.354 0.000 1 808 234 105 ASP N N 120.109 0.035 1 809 235 106 HIS H H 8.320 0.009 1 810 235 106 HIS HA H 4.657 0.000 1 811 235 106 HIS HB2 H 3.256 0.000 2 812 235 106 HIS HB3 H 3.125 0.000 2 813 235 106 HIS C C 175.537 0.016 1 814 235 106 HIS CA C 56.118 0.026 1 815 235 106 HIS CB C 30.043 0.059 1 816 235 106 HIS N N 118.452 0.085 1 817 236 107 GLY H H 8.468 0.003 1 818 236 107 GLY HA2 H 3.965 0.000 1 819 236 107 GLY HA3 H 3.965 0.000 1 820 236 107 GLY C C 174.185 0.000 1 821 236 107 GLY CA C 45.561 0.098 1 822 236 107 GLY N N 109.215 0.018 1 823 237 108 GLU H H 8.448 0.003 1 824 237 108 GLU HA H 4.289 0.028 1 825 237 108 GLU HB2 H 2.062 0.018 2 826 237 108 GLU HB3 H 1.925 0.010 2 827 237 108 GLU HG2 H 2.251 0.006 1 828 237 108 GLU HG3 H 2.251 0.006 1 829 237 108 GLU C C 176.721 0.011 1 830 237 108 GLU CA C 56.778 0.070 1 831 237 108 GLU CB C 30.546 0.070 1 832 237 108 GLU CG C 36.272 0.000 1 833 237 108 GLU N N 120.145 0.094 1 834 238 109 GLU H H 8.574 0.004 1 835 238 109 GLU HA H 4.317 0.000 1 836 238 109 GLU HB2 H 1.964 0.000 2 837 238 109 GLU HB3 H 2.079 0.000 2 838 238 109 GLU HG2 H 2.291 0.000 1 839 238 109 GLU HG3 H 2.291 0.000 1 840 238 109 GLU C C 176.560 0.000 1 841 238 109 GLU CA C 57.560 0.169 1 842 238 109 GLU CB C 30.356 0.000 1 843 238 109 GLU N N 121.198 0.021 1 844 239 110 SER HA H 4.417 0.000 1 845 239 110 SER HB3 H 3.830 0.000 1 846 239 110 SER C C 174.345 0.000 1 847 239 110 SER CA C 58.360 0.003 1 848 239 110 SER CB C 63.973 0.058 1 849 240 111 ASN H H 8.534 0.004 1 850 240 111 ASN HA H 4.762 0.000 1 851 240 111 ASN HB2 H 2.836 0.000 2 852 240 111 ASN HB3 H 2.744 0.023 2 853 240 111 ASN C C 175.378 0.006 1 854 240 111 ASN CA C 53.533 0.055 1 855 240 111 ASN CB C 39.159 0.020 1 856 240 111 ASN N N 120.709 0.033 1 857 241 112 GLU H H 8.450 0.003 1 858 241 112 GLU HA H 4.297 0.000 1 859 241 112 GLU HB2 H 1.948 0.000 2 860 241 112 GLU HB3 H 2.076 0.000 2 861 241 112 GLU CA C 56.973 0.132 1 862 241 112 GLU CB C 30.257 0.217 1 863 241 112 GLU CG C 36.354 0.000 1 864 241 112 GLU N N 120.670 0.036 1 865 242 113 SER H H 8.375 0.010 1 866 242 113 SER HA H 4.435 0.000 1 867 242 113 SER HB3 H 3.920 0.000 1 868 242 113 SER C C 174.785 0.014 1 869 242 113 SER CA C 58.530 0.122 1 870 242 113 SER CB C 63.943 0.069 1 871 242 113 SER N N 116.097 0.048 1 872 243 114 ALA H H 8.371 0.010 1 873 243 114 ALA HA H 4.266 0.012 1 874 243 114 ALA HB H 1.388 0.009 1 875 243 114 ALA C C 178.221 0.001 1 876 243 114 ALA CA C 53.213 0.073 1 877 243 114 ALA CB C 19.171 0.090 1 878 243 114 ALA N N 125.494 0.020 1 879 244 115 GLU H H 8.339 0.004 1 880 244 115 GLU HA H 4.222 0.000 1 881 244 115 GLU HB2 H 1.967 0.000 2 882 244 115 GLU HB3 H 2.043 0.000 2 883 244 115 GLU HG2 H 2.278 0.000 1 884 244 115 GLU HG3 H 2.278 0.000 1 885 244 115 GLU C C 177.025 0.002 1 886 244 115 GLU CA C 57.216 0.002 1 887 244 115 GLU CB C 29.966 0.000 1 888 244 115 GLU N N 118.489 0.031 1 889 245 116 SER H H 8.206 0.006 1 890 245 116 SER HA H 4.394 0.013 1 891 245 116 SER HB2 H 3.839 0.000 2 892 245 116 SER HB3 H 3.925 0.017 2 893 245 116 SER C C 175.131 0.000 1 894 245 116 SER CA C 59.062 0.044 1 895 245 116 SER CB C 63.864 0.046 1 896 245 116 SER N N 115.378 0.034 1 897 246 117 SER CA C 59.216 0.031 1 898 246 117 SER CB C 63.788 0.031 1 899 247 118 ASN H H 8.347 0.007 1 900 247 118 ASN HA H 4.604 0.000 1 901 247 118 ASN HB2 H 2.717 0.000 1 902 247 118 ASN HB3 H 2.717 0.000 1 903 247 118 ASN CA C 53.768 0.053 1 904 247 118 ASN CB C 38.693 0.000 1 905 247 118 ASN N N 119.629 0.044 1 906 248 119 ASN H H 8.166 0.008 1 907 248 119 ASN HD21 H 7.588 0.002 1 908 248 119 ASN HD22 H 6.847 0.000 1 909 248 119 ASN CA C 54.335 0.068 1 910 248 119 ASN CB C 38.830 0.000 1 911 248 119 ASN N N 118.431 0.016 1 912 248 119 ASN ND2 N 112.010 0.001 1 913 249 120 TRP HD1 H 7.240 0.000 1 914 249 120 TRP HE1 H 10.127 0.002 1 915 249 120 TRP HZ2 H 7.432 0.000 1 916 249 120 TRP N N 128.822 0.020 1 917 249 120 TRP NE1 N 128.993 0.044 1 918 250 121 GLU HA H 3.787 0.022 1 919 250 121 GLU HB2 H 1.985 0.006 1 920 250 121 GLU HB3 H 1.985 0.006 1 921 250 121 GLU C C 179.269 0.000 1 922 250 121 GLU CA C 59.819 0.063 1 923 250 121 GLU CB C 29.428 0.096 1 924 251 122 LYS H H 7.918 0.008 1 925 251 122 LYS HA H 4.024 0.019 1 926 251 122 LYS HB2 H 1.780 0.004 2 927 251 122 LYS HB3 H 1.780 0.004 2 928 251 122 LYS C C 179.573 0.004 1 929 251 122 LYS CA C 58.850 0.191 1 930 251 122 LYS CB C 32.183 0.109 1 931 251 122 LYS N N 120.174 0.076 1 932 252 123 GLN H H 7.863 0.007 1 933 252 123 GLN HA H 3.602 0.004 1 934 252 123 GLN C C 178.073 0.003 1 935 252 123 GLN CA C 58.783 0.021 1 936 252 123 GLN CB C 28.001 0.140 1 937 252 123 GLN N N 118.255 0.030 1 938 253 124 GLU H H 8.326 0.011 1 939 253 124 GLU HA H 3.981 0.015 1 940 253 124 GLU HB2 H 1.490 0.000 2 941 253 124 GLU HB3 H 1.754 0.000 2 942 253 124 GLU C C 178.725 0.000 1 943 253 124 GLU CA C 58.625 0.027 1 944 253 124 GLU CB C 29.093 0.148 1 945 253 124 GLU N N 118.774 0.024 1 946 254 125 SER H H 7.845 0.011 1 947 254 125 SER HA H 4.191 0.010 1 948 254 125 SER HB2 H 3.975 0.025 1 949 254 125 SER HB3 H 3.975 0.025 1 950 254 125 SER CA C 61.951 0.066 1 951 254 125 SER CB C 63.019 0.058 1 952 254 125 SER N N 113.460 0.039 1 953 255 126 ILE H H 7.675 0.010 1 954 255 126 ILE HA H 3.822 0.017 1 955 255 126 ILE HB H 2.330 0.004 1 956 255 126 ILE HG12 H 1.217 0.019 2 957 255 126 ILE HG13 H 1.934 0.005 2 958 255 126 ILE HG2 H 1.287 0.018 1 959 255 126 ILE HD1 H 1.042 0.005 1 960 255 126 ILE C C 177.759 0.000 1 961 255 126 ILE CA C 64.995 0.115 1 962 255 126 ILE CB C 37.826 0.069 1 963 255 126 ILE CG1 C 28.532 0.063 1 964 255 126 ILE CG2 C 19.852 0.062 1 965 255 126 ILE CD1 C 13.378 0.074 1 966 255 126 ILE N N 123.267 0.037 1 967 256 127 VAL H H 8.175 0.008 1 968 256 127 VAL HA H 3.367 0.006 1 969 256 127 VAL HB H 2.328 0.003 1 970 256 127 VAL HG1 H 0.935 0.004 2 971 256 127 VAL HG2 H 1.113 0.010 2 972 256 127 VAL C C 177.853 0.000 1 973 256 127 VAL CA C 67.301 0.061 1 974 256 127 VAL CB C 31.628 0.161 1 975 256 127 VAL CG1 C 22.127 0.609 2 976 256 127 VAL CG2 C 23.844 0.010 2 977 256 127 VAL N N 120.949 0.026 1 978 257 128 LEU H H 8.191 0.005 1 979 257 128 LEU HA H 4.009 0.015 1 980 257 128 LEU HB2 H 1.817 0.003 2 981 257 128 LEU HB3 H 1.545 0.008 2 982 257 128 LEU HG H 1.804 0.005 1 983 257 128 LEU HD1 H 0.927 0.014 2 984 257 128 LEU HD2 H 0.900 0.022 2 985 257 128 LEU C C 179.660 0.020 1 986 257 128 LEU CA C 58.064 0.051 1 987 257 128 LEU CB C 41.676 0.035 1 988 257 128 LEU CG C 27.144 0.039 1 989 257 128 LEU CD1 C 24.983 0.126 2 990 257 128 LEU CD2 C 23.383 0.070 2 991 257 128 LEU N N 117.308 0.026 1 992 258 129 LYS H H 7.621 0.009 1 993 258 129 LYS HA H 4.049 0.002 1 994 258 129 LYS HB2 H 1.940 0.000 1 995 258 129 LYS HB3 H 1.940 0.000 1 996 258 129 LYS C C 179.490 0.016 1 997 258 129 LYS CA C 60.176 0.046 1 998 258 129 LYS CB C 32.913 0.131 1 999 258 129 LYS N N 120.092 0.048 1 1000 259 130 LEU H H 8.357 0.007 1 1001 259 130 LEU HA H 4.491 0.005 1 1002 259 130 LEU HB2 H 1.786 0.036 2 1003 259 130 LEU HB3 H 1.916 0.012 2 1004 259 130 LEU HG H 1.778 0.006 1 1005 259 130 LEU HD1 H 0.626 0.010 2 1006 259 130 LEU HD2 H 0.768 0.011 2 1007 259 130 LEU C C 178.793 0.023 1 1008 259 130 LEU CA C 57.622 0.232 1 1009 259 130 LEU CB C 42.386 0.135 1 1010 259 130 LEU CG C 26.758 0.107 1 1011 259 130 LEU CD1 C 24.333 0.012 2 1012 259 130 LEU CD2 C 26.078 0.558 2 1013 259 130 LEU N N 120.336 0.060 1 1014 260 131 GLN H H 8.877 0.008 1 1015 260 131 GLN HA H 3.882 0.020 1 1016 260 131 GLN HB2 H 1.873 0.006 2 1017 260 131 GLN HB3 H 2.246 0.008 2 1018 260 131 GLN HG2 H 2.443 0.008 2 1019 260 131 GLN HG3 H 2.464 0.010 2 1020 260 131 GLN HE21 H 7.884 0.000 1 1021 260 131 GLN HE22 H 6.790 0.000 1 1022 260 131 GLN C C 177.159 0.018 1 1023 260 131 GLN CA C 58.256 0.120 1 1024 260 131 GLN CB C 29.212 0.121 1 1025 260 131 GLN CG C 35.215 0.050 1 1026 260 131 GLN N N 119.492 0.039 1 1027 260 131 GLN NE2 N 110.894 0.000 1 1028 261 132 LYS H H 7.505 0.007 1 1029 261 132 LYS HA H 4.021 0.018 1 1030 261 132 LYS HB2 H 1.943 0.000 1 1031 261 132 LYS HB3 H 1.943 0.000 1 1032 261 132 LYS C C 178.712 0.014 1 1033 261 132 LYS CA C 58.901 0.110 1 1034 261 132 LYS CB C 32.281 0.052 1 1035 261 132 LYS N N 115.549 0.057 1 1036 262 133 GLU H H 7.136 0.013 1 1037 262 133 GLU HA H 4.021 0.017 1 1038 262 133 GLU HB2 H 2.043 0.000 1 1039 262 133 GLU HB3 H 2.043 0.000 1 1040 262 133 GLU C C 175.897 0.003 1 1041 262 133 GLU CA C 57.267 0.023 1 1042 262 133 GLU CB C 30.355 0.057 1 1043 262 133 GLU N N 115.543 0.042 1 1044 263 134 PHE H H 7.720 0.007 1 1045 263 134 PHE HA H 4.857 0.016 1 1046 263 134 PHE HB2 H 3.201 0.032 2 1047 263 134 PHE HB3 H 2.675 0.015 2 1048 263 134 PHE HD1 H 7.197 0.006 3 1049 263 134 PHE HD2 H 7.197 0.006 3 1050 263 134 PHE C C 172.987 0.000 1 1051 263 134 PHE CA C 56.298 0.016 1 1052 263 134 PHE CB C 39.952 0.165 1 1053 263 134 PHE CD1 C 132.324 0.041 3 1054 263 134 PHE CD2 C 132.324 0.041 3 1055 263 134 PHE N N 116.505 0.045 1 1056 264 135 PRO HA H 4.659 0.005 1 1057 264 135 PRO HB2 H 1.941 0.001 2 1058 264 135 PRO HB3 H 2.309 0.002 2 1059 264 135 PRO HD2 H 3.527 0.002 2 1060 264 135 PRO HD3 H 3.232 0.002 2 1061 264 135 PRO C C 177.675 0.000 1 1062 264 135 PRO CA C 64.682 0.036 1 1063 264 135 PRO CB C 32.278 0.026 1 1064 264 135 PRO CD C 50.332 0.071 1 1065 265 136 ASN H H 8.829 0.010 1 1066 265 136 ASN HA H 4.688 0.010 1 1067 265 136 ASN HB2 H 2.694 0.000 2 1068 265 136 ASN HB3 H 2.724 0.023 2 1069 265 136 ASN HD21 H 7.520 0.000 1 1070 265 136 ASN HD22 H 6.681 0.000 1 1071 265 136 ASN C C 174.875 0.015 1 1072 265 136 ASN CA C 53.701 0.045 1 1073 265 136 ASN CB C 37.674 0.049 1 1074 265 136 ASN N N 113.860 0.026 1 1075 265 136 ASN ND2 N 113.533 0.000 1 1076 266 137 PHE H H 7.780 0.006 1 1077 266 137 PHE HA H 4.706 0.021 1 1078 266 137 PHE HB2 H 3.076 0.010 2 1079 266 137 PHE HB3 H 2.918 0.014 2 1080 266 137 PHE HD1 H 7.207 0.001 3 1081 266 137 PHE HD2 H 7.207 0.001 3 1082 266 137 PHE C C 175.126 0.000 1 1083 266 137 PHE CA C 57.095 0.077 1 1084 266 137 PHE CB C 41.131 0.217 1 1085 266 137 PHE N N 120.289 0.030 1 1086 267 138 ASP H H 9.163 0.006 1 1087 267 138 ASP HA H 4.632 0.000 1 1088 267 138 ASP HB2 H 2.741 0.000 2 1089 267 138 ASP HB3 H 2.948 0.000 2 1090 267 138 ASP C C 176.927 0.012 1 1091 267 138 ASP CA C 53.540 0.026 1 1092 267 138 ASP CB C 42.911 0.039 1 1093 267 138 ASP N N 121.342 0.045 1 1094 268 139 LYS H H 8.598 0.004 1 1095 268 139 LYS HA H 3.748 0.019 1 1096 268 139 LYS HB2 H 1.858 0.005 2 1097 268 139 LYS HB3 H 1.849 0.001 2 1098 268 139 LYS C C 178.327 0.000 1 1099 268 139 LYS CA C 61.044 0.054 1 1100 268 139 LYS CB C 32.747 0.080 1 1101 268 139 LYS N N 120.917 0.081 1 1102 269 140 GLN H H 8.668 0.009 1 1103 269 140 GLN HA H 4.103 0.019 1 1104 269 140 GLN HB2 H 2.142 0.015 2 1105 269 140 GLN HB3 H 2.227 0.004 2 1106 269 140 GLN C C 178.673 0.005 1 1107 269 140 GLN CA C 59.288 0.018 1 1108 269 140 GLN CB C 27.946 0.145 1 1109 269 140 GLN N N 118.028 0.030 1 1110 270 141 GLU H H 7.958 0.010 1 1111 270 141 GLU HA H 4.093 0.020 1 1112 270 141 GLU HB2 H 2.003 0.000 2 1113 270 141 GLU HB3 H 2.336 0.000 2 1114 270 141 GLU C C 179.597 0.017 1 1115 270 141 GLU CA C 59.276 0.080 1 1116 270 141 GLU CB C 29.984 0.062 1 1117 270 141 GLU N N 119.642 0.049 1 1118 271 142 LEU H H 7.957 0.007 1 1119 271 142 LEU HA H 3.813 0.017 1 1120 271 142 LEU HB2 H 1.178 0.009 2 1121 271 142 LEU HB3 H 1.981 0.004 2 1122 271 142 LEU HG H 1.815 0.007 1 1123 271 142 LEU HD1 H 0.847 0.015 2 1124 271 142 LEU HD2 H 0.490 0.011 2 1125 271 142 LEU C C 178.430 0.001 1 1126 271 142 LEU CA C 57.571 0.056 1 1127 271 142 LEU CB C 42.065 0.143 1 1128 271 142 LEU CG C 26.237 0.207 1 1129 271 142 LEU CD1 C 25.817 0.086 2 1130 271 142 LEU CD2 C 22.891 0.344 2 1131 271 142 LEU N N 117.565 0.036 1 1132 272 143 ARG H H 8.245 0.006 1 1133 272 143 ARG HA H 3.667 0.025 1 1134 272 143 ARG HB2 H 1.998 0.005 2 1135 272 143 ARG HB3 H 2.002 0.013 2 1136 272 143 ARG HG2 H 1.783 0.004 2 1137 272 143 ARG HG3 H 1.619 0.012 2 1138 272 143 ARG HD2 H 3.220 0.008 2 1139 272 143 ARG HD3 H 3.461 0.007 2 1140 272 143 ARG C C 177.565 0.006 1 1141 272 143 ARG CA C 60.435 0.036 1 1142 272 143 ARG CB C 30.129 0.200 1 1143 272 143 ARG CG C 29.704 0.199 1 1144 272 143 ARG CD C 43.199 0.083 1 1145 272 143 ARG N N 118.712 0.050 1 1146 273 144 GLU H H 7.625 0.008 1 1147 273 144 GLU HA H 3.957 0.024 1 1148 273 144 GLU HB2 H 2.103 0.012 1 1149 273 144 GLU HB3 H 2.103 0.012 1 1150 273 144 GLU C C 178.984 0.008 1 1151 273 144 GLU CA C 59.421 0.049 1 1152 273 144 GLU CB C 28.985 0.070 1 1153 273 144 GLU N N 117.319 0.029 1 1154 274 145 VAL H H 7.724 0.005 1 1155 274 145 VAL HA H 3.717 0.020 1 1156 274 145 VAL HB H 1.914 0.008 1 1157 274 145 VAL HG1 H 0.894 0.006 2 1158 274 145 VAL HG2 H 0.668 0.007 2 1159 274 145 VAL C C 179.274 0.014 1 1160 274 145 VAL CA C 66.136 0.029 1 1161 274 145 VAL CB C 31.811 0.085 1 1162 274 145 VAL CG1 C 21.656 0.660 2 1163 274 145 VAL CG2 C 21.128 0.104 2 1164 274 145 VAL N N 119.710 0.047 1 1165 275 146 LEU H H 7.986 0.011 1 1166 275 146 LEU HA H 3.254 0.018 1 1167 275 146 LEU HB2 H 0.071 0.015 2 1168 275 146 LEU HB3 H 1.061 0.010 2 1169 275 146 LEU HG H 1.066 0.009 1 1170 275 146 LEU HD1 H 0.595 0.016 2 1171 275 146 LEU HD2 H 0.769 0.014 2 1172 275 146 LEU C C 179.105 0.015 1 1173 275 146 LEU CA C 59.083 0.083 1 1174 275 146 LEU CB C 40.641 0.044 1 1175 275 146 LEU CG C 28.494 0.077 1 1176 275 146 LEU CD1 C 23.965 0.081 2 1177 275 146 LEU CD2 C 26.295 0.047 2 1178 275 146 LEU N N 120.985 0.040 1 1179 276 147 LYS H H 8.093 0.012 1 1180 276 147 LYS HA H 4.329 0.000 1 1181 276 147 LYS HB2 H 1.716 0.008 2 1182 276 147 LYS HB3 H 1.788 0.072 2 1183 276 147 LYS HG3 H 1.582 0.006 1 1184 276 147 LYS HD3 H 1.643 0.000 1 1185 276 147 LYS HE2 H 3.022 0.000 2 1186 276 147 LYS HE3 H 2.998 0.024 2 1187 276 147 LYS C C 180.277 0.012 1 1188 276 147 LYS CA C 59.974 0.043 1 1189 276 147 LYS CB C 32.325 0.050 1 1190 276 147 LYS N N 121.093 0.062 1 1191 277 148 GLU H H 7.895 0.008 1 1192 277 148 GLU HA H 3.945 0.022 1 1193 277 148 GLU HB2 H 1.849 0.003 2 1194 277 148 GLU HB3 H 2.001 0.001 2 1195 277 148 GLU C C 176.864 0.004 1 1196 277 148 GLU CA C 58.442 0.053 1 1197 277 148 GLU CB C 29.227 0.146 1 1198 277 148 GLU N N 119.648 0.070 1 1199 278 149 HIS H H 7.227 0.008 1 1200 278 149 HIS HA H 4.546 0.020 1 1201 278 149 HIS HB2 H 3.609 0.005 2 1202 278 149 HIS HB3 H 2.436 0.006 2 1203 278 149 HIS C C 173.733 0.024 1 1204 278 149 HIS CA C 56.083 0.045 1 1205 278 149 HIS CB C 28.165 0.259 1 1206 278 149 HIS N N 114.597 0.060 1 1207 279 150 GLU H H 7.880 0.009 1 1208 279 150 GLU HA H 3.885 0.016 1 1209 279 150 GLU HB2 H 2.319 0.005 2 1210 279 150 GLU HB3 H 2.086 0.028 2 1211 279 150 GLU HG2 H 2.173 0.016 2 1212 279 150 GLU HG3 H 2.224 0.003 2 1213 279 150 GLU C C 174.642 0.011 1 1214 279 150 GLU CA C 57.980 0.127 1 1215 279 150 GLU CB C 27.202 0.093 1 1216 279 150 GLU CG C 36.723 0.024 1 1217 279 150 GLU N N 115.517 0.070 1 1218 280 151 TRP H H 8.558 0.013 1 1219 280 151 TRP HA H 3.204 0.010 1 1220 280 151 TRP HB2 H 3.578 0.015 2 1221 280 151 TRP HB3 H 3.308 0.015 2 1222 280 151 TRP HD1 H 7.141 0.007 1 1223 280 151 TRP HE1 H 10.161 0.003 1 1224 280 151 TRP HE3 H 7.419 0.007 1 1225 280 151 TRP HZ2 H 7.309 0.007 1 1226 280 151 TRP HZ3 H 7.073 0.007 1 1227 280 151 TRP HH2 H 6.859 0.005 1 1228 280 151 TRP C C 174.207 0.026 1 1229 280 151 TRP CA C 59.556 0.087 1 1230 280 151 TRP CB C 24.869 0.117 1 1231 280 151 TRP CD1 C 127.265 0.000 1 1232 280 151 TRP CE3 C 119.307 0.089 1 1233 280 151 TRP CZ2 C 115.088 0.031 1 1234 280 151 TRP CZ3 C 122.540 0.016 1 1235 280 151 TRP CH2 C 123.903 0.019 1 1236 280 151 TRP N N 108.673 0.055 1 1237 280 151 TRP NE1 N 128.411 0.039 1 1238 281 152 MET H H 7.524 0.004 1 1239 281 152 MET HA H 4.679 0.000 1 1240 281 152 MET HB2 H 2.206 0.003 2 1241 281 152 MET HB3 H 2.373 0.001 2 1242 281 152 MET HG2 H 2.792 0.004 2 1243 281 152 MET HG3 H 2.629 0.006 2 1244 281 152 MET C C 175.385 0.000 1 1245 281 152 MET CA C 54.717 0.012 1 1246 281 152 MET CB C 31.662 0.087 1 1247 281 152 MET CG C 31.825 0.261 1 1248 281 152 MET N N 118.164 0.053 1 1249 282 153 TYR HA H 3.688 0.009 1 1250 282 153 TYR HB2 H 3.156 0.019 2 1251 282 153 TYR HB3 H 3.052 0.014 2 1252 282 153 TYR HD1 H 6.965 0.014 3 1253 282 153 TYR HD2 H 6.965 0.014 3 1254 282 153 TYR HE1 H 6.674 0.004 3 1255 282 153 TYR HE2 H 6.674 0.004 3 1256 282 153 TYR C C 175.929 0.000 1 1257 282 153 TYR CA C 63.185 0.175 1 1258 282 153 TYR CB C 39.449 0.141 1 1259 282 153 TYR CD1 C 132.661 0.003 3 1260 282 153 TYR CD2 C 132.661 0.003 3 1261 282 153 TYR CE1 C 118.358 0.022 3 1262 282 153 TYR CE2 C 118.358 0.022 3 1263 283 154 THR H H 8.690 0.007 1 1264 283 154 THR HA H 3.593 0.013 1 1265 283 154 THR HB H 4.157 0.005 1 1266 283 154 THR HG2 H 1.288 0.006 1 1267 283 154 THR C C 176.233 0.024 1 1268 283 154 THR CA C 66.557 0.070 1 1269 283 154 THR CB C 67.711 0.637 1 1270 283 154 THR CG2 C 22.427 0.039 1 1271 283 154 THR N N 111.241 0.080 1 1272 284 155 GLU H H 7.498 0.020 1 1273 284 155 GLU HA H 3.902 0.000 1 1274 284 155 GLU HB2 H 2.031 0.000 1 1275 284 155 GLU HB3 H 2.031 0.000 1 1276 284 155 GLU C C 178.844 0.005 1 1277 284 155 GLU CA C 59.249 0.045 1 1278 284 155 GLU CB C 29.794 0.062 1 1279 284 155 GLU N N 120.138 0.085 1 1280 285 156 ALA H H 7.767 0.008 1 1281 285 156 ALA HA H 2.886 0.032 1 1282 285 156 ALA HB H 0.971 0.009 1 1283 285 156 ALA C C 178.416 0.003 1 1284 285 156 ALA CA C 54.704 0.050 1 1285 285 156 ALA CB C 18.584 0.070 1 1286 285 156 ALA N N 121.438 0.036 1 1287 286 157 LEU H H 8.251 0.005 1 1288 286 157 LEU HA H 3.561 0.012 1 1289 286 157 LEU HB2 H 1.018 0.008 2 1290 286 157 LEU HB3 H 1.605 0.005 2 1291 286 157 LEU HG H 1.447 0.010 1 1292 286 157 LEU HD1 H 0.886 0.004 2 1293 286 157 LEU HD2 H 0.876 0.015 2 1294 286 157 LEU C C 177.570 0.000 1 1295 286 157 LEU CA C 58.951 0.023 1 1296 286 157 LEU CB C 41.903 0.104 1 1297 286 157 LEU CG C 27.134 0.065 1 1298 286 157 LEU CD1 C 25.240 0.086 2 1299 286 157 LEU CD2 C 25.170 0.086 2 1300 286 157 LEU N N 118.605 0.036 1 1301 287 158 GLU HA H 3.802 0.000 1 1302 287 158 GLU HB2 H 1.928 0.000 1 1303 287 158 GLU HB3 H 1.928 0.000 1 1304 287 158 GLU CA C 59.134 0.057 1 1305 287 158 GLU CB C 29.403 0.028 1 1306 288 159 SER H H 7.369 0.014 1 1307 288 159 SER HA H 4.150 0.029 1 1308 288 159 SER HB2 H 3.584 0.029 2 1309 288 159 SER HB3 H 3.705 0.028 2 1310 288 159 SER C C 175.648 0.000 1 1311 288 159 SER CA C 61.790 0.744 1 1312 288 159 SER CB C 62.823 0.123 1 1313 288 159 SER N N 114.050 0.039 1 1314 289 160 LEU H H 7.289 0.008 1 1315 289 160 LEU HA H 3.945 0.018 1 1316 289 160 LEU HB2 H 1.081 0.040 2 1317 289 160 LEU HB3 H 0.264 0.012 2 1318 289 160 LEU HG H 1.171 0.018 1 1319 289 160 LEU HD1 H 0.113 0.018 2 1320 289 160 LEU HD2 H -0.035 0.015 2 1321 289 160 LEU C C 178.051 0.018 1 1322 289 160 LEU CA C 56.017 0.065 1 1323 289 160 LEU CB C 41.723 0.068 1 1324 289 160 LEU CG C 26.282 0.017 1 1325 289 160 LEU CD1 C 22.453 0.151 2 1326 289 160 LEU CD2 C 25.875 0.126 2 1327 289 160 LEU N N 121.149 0.028 1 1328 290 161 LYS H H 7.641 0.009 1 1329 290 161 LYS HA H 4.180 0.016 1 1330 290 161 LYS HB2 H 1.873 0.005 1 1331 290 161 LYS HB3 H 1.873 0.005 1 1332 290 161 LYS HG2 H 1.670 0.019 2 1333 290 161 LYS HG3 H 1.511 0.010 2 1334 290 161 LYS HD2 H 1.685 0.002 1 1335 290 161 LYS HD3 H 1.685 0.002 1 1336 290 161 LYS HE2 H 2.885 0.001 1 1337 290 161 LYS HE3 H 2.885 0.001 1 1338 290 161 LYS C C 177.603 0.013 1 1339 290 161 LYS CA C 58.589 0.044 1 1340 290 161 LYS CB C 32.983 0.037 1 1341 290 161 LYS CG C 25.484 0.259 1 1342 290 161 LYS CD C 29.573 0.044 1 1343 290 161 LYS CE C 42.067 0.067 1 1344 290 161 LYS N N 118.451 0.015 1 1345 291 162 VAL H H 7.421 0.013 1 1346 291 162 VAL HA H 3.990 0.016 1 1347 291 162 VAL HB H 1.994 0.005 1 1348 291 162 VAL HG1 H 0.835 0.017 2 1349 291 162 VAL HG2 H 0.752 0.005 2 1350 291 162 VAL C C 176.477 0.021 1 1351 291 162 VAL CA C 63.348 0.087 1 1352 291 162 VAL CB C 32.152 0.106 1 1353 291 162 VAL CG1 C 20.631 0.133 2 1354 291 162 VAL CG2 C 20.920 0.076 2 1355 291 162 VAL N N 116.196 0.069 1 1356 292 163 PHE H H 7.903 0.011 1 1357 292 163 PHE HA H 4.592 0.018 1 1358 292 163 PHE HB2 H 3.058 0.013 2 1359 292 163 PHE HB3 H 3.244 0.012 2 1360 292 163 PHE HD1 H 7.295 0.001 3 1361 292 163 PHE HD2 H 7.295 0.001 3 1362 292 163 PHE C C 175.654 0.013 1 1363 292 163 PHE CA C 58.271 0.070 1 1364 292 163 PHE CB C 39.476 0.114 1 1365 292 163 PHE N N 121.028 0.047 1 1366 293 164 ALA H H 8.041 0.008 1 1367 293 164 ALA HA H 4.363 0.018 1 1368 293 164 ALA HB H 1.443 0.009 1 1369 293 164 ALA C C 177.105 0.002 1 1370 293 164 ALA CA C 52.577 0.080 1 1371 293 164 ALA CB C 19.874 0.124 1 1372 293 164 ALA N N 124.180 0.056 1 1373 294 165 GLU H H 8.204 0.008 1 1374 294 165 GLU HA H 4.339 0.007 1 1375 294 165 GLU HB2 H 2.133 0.000 2 1376 294 165 GLU HB3 H 1.955 0.000 2 1377 294 165 GLU HG2 H 2.337 0.000 1 1378 294 165 GLU HG3 H 2.337 0.000 1 1379 294 165 GLU C C 175.396 0.000 1 1380 294 165 GLU CA C 56.499 0.030 1 1381 294 165 GLU CB C 30.807 0.000 1 1382 294 165 GLU N N 119.897 0.049 1 1383 295 166 ASP H H 7.987 0.004 1 1384 295 166 ASP HA H 4.364 0.019 1 1385 295 166 ASP HB2 H 2.645 0.018 2 1386 295 166 ASP HB3 H 2.543 0.009 2 1387 295 166 ASP C C 180.936 0.000 1 1388 295 166 ASP CA C 56.025 0.074 1 1389 295 166 ASP CB C 42.403 0.000 1 1390 295 166 ASP N N 126.186 0.007 1 stop_ save_