data_34004 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the human SNF5/INI1 domain ; _BMRB_accession_number 34004 _BMRB_flat_file_name bmr34004.str _Entry_type original _Submission_date 2016-06-02 _Accession_date 2016-06-02 _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 Allen M. D. . 2 Zinzalla G. . . 3 Bycroft Mark . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 468 "13C chemical shifts" 273 "15N chemical shifts" 77 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-08-27 update BMRB 'update entry citation' 2017-05-04 original author 'original release' stop_ _Original_release_date 2016-06-16 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The structure of INI1/hSNF5 RPT1 and its interactions with the c-MYC:MAX heterodimer provide insights into the interplay between MYC and the SWI/SNF chromatin remodeling complex ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30222246 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sammak Susan . . 2 Allen Mark D. . 3 Hamdani Najoua . . 4 Bycroft Mark . . 5 Zinzalla Giovanna . . stop_ _Journal_abbreviation 'FEBS J.' _Journal_name_full 'The FEBS journal' _Journal_volume 285 _Journal_issue 22 _Journal_ISSN 1742-4658 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4165 _Page_last 4180 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1' _Molecular_mass 8821.944 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 78 _Mol_residue_sequence ; GGSEVLVPIRLDMEIDGQKL RDAFTWNMNEKLMTPEMFSE ILCDDLDLNPLTFVPAIASA IRQQIESYPTDSILEDQS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 181 GLY 2 182 GLY 3 183 SER 4 184 GLU 5 185 VAL 6 186 LEU 7 187 VAL 8 188 PRO 9 189 ILE 10 190 ARG 11 191 LEU 12 192 ASP 13 193 MET 14 194 GLU 15 195 ILE 16 196 ASP 17 197 GLY 18 198 GLN 19 199 LYS 20 200 LEU 21 201 ARG 22 202 ASP 23 203 ALA 24 204 PHE 25 205 THR 26 206 TRP 27 207 ASN 28 208 MET 29 209 ASN 30 210 GLU 31 211 LYS 32 212 LEU 33 213 MET 34 214 THR 35 215 PRO 36 216 GLU 37 217 MET 38 218 PHE 39 219 SER 40 220 GLU 41 221 ILE 42 222 LEU 43 223 CYS 44 224 ASP 45 225 ASP 46 226 LEU 47 227 ASP 48 228 LEU 49 229 ASN 50 230 PRO 51 231 LEU 52 232 THR 53 233 PHE 54 234 VAL 55 235 PRO 56 236 ALA 57 237 ILE 58 238 ALA 59 239 SER 60 240 ALA 61 241 ILE 62 242 ARG 63 243 GLN 64 244 GLN 65 245 ILE 66 246 GLU 67 247 SER 68 248 TYR 69 249 PRO 70 250 THR 71 251 ASP 72 252 SER 73 253 ILE 74 254 LEU 75 255 GLU 76 256 ASP 77 257 GLN 78 258 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'SMARCB1, BAF47, INI1, SNF5L1' 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 $entity_1 'recombinant technology' . Escherichia coli BL21(DE3) . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20 mM potassium phosphate, 100 mM sodium chloride, 5 mM [U-100% 2H] beta-mercaptoethanol, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 5 mM '[U-100% 2H]' 'potassium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '20 mM potassium phosphate, 100 mM sodium chloride, 5 mM [U-100% 2H] beta-mercaptoethanol, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 5 mM '[U-100% 2H]' 'potassium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name ANSIG _Version . loop_ _Vendor _Address _Electronic_address Kraulis . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNHB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_2 save_ save_3D_HNCACO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_2 save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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' 120 . mM pH 6.5 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 carbons' ppm 0 internal direct . . . 1.0 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 'liquid anhydrous ammonia' N 15 nitrogen ppm 0 internal indirect . . . 1.0 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 1 183 3 SER H H 8.361 0.01 1 2 183 3 SER HA H 4.383 0.01 1 3 183 3 SER HB2 H 3.770 0.01 2 4 183 3 SER HB3 H 3.770 0.01 2 5 183 3 SER C C 173.490 0.10 1 6 183 3 SER CA C 58.240 0.10 1 7 183 3 SER CB C 63.620 0.10 1 8 183 3 SER N N 115.880 0.10 1 9 184 4 GLU H H 8.433 0.01 1 10 184 4 GLU HA H 4.214 0.01 1 11 184 4 GLU HB2 H 1.783 0.01 2 12 184 4 GLU HB3 H 1.836 0.01 2 13 184 4 GLU HG2 H 2.064 0.01 2 14 184 4 GLU HG3 H 2.135 0.01 2 15 184 4 GLU C C 175.020 0.10 1 16 184 4 GLU CA C 56.370 0.10 1 17 184 4 GLU CB C 30.080 0.10 1 18 184 4 GLU N N 122.450 0.10 1 19 185 5 VAL H H 8.021 0.01 1 20 185 5 VAL HA H 3.992 0.01 1 21 185 5 VAL HB H 1.841 0.01 1 22 185 5 VAL HG1 H 0.801 0.01 2 23 185 5 VAL HG2 H 0.839 0.01 2 24 185 5 VAL C C 173.010 0.10 1 25 185 5 VAL CA C 62.440 0.10 1 26 185 5 VAL CB C 32.910 0.10 1 27 185 5 VAL CG1 C 21.270 0.10 1 28 185 5 VAL CG2 C 20.490 0.10 1 29 185 5 VAL N N 123.980 0.10 1 30 186 6 LEU H H 8.153 0.01 1 31 186 6 LEU HA H 4.849 0.01 1 32 186 6 LEU HB2 H 0.937 0.01 1 33 186 6 LEU HB3 H 1.672 0.01 1 34 186 6 LEU HG H 1.426 0.01 1 35 186 6 LEU HD1 H 0.748 0.01 2 36 186 6 LEU HD2 H 0.582 0.01 2 37 186 6 LEU C C 175.770 0.10 1 38 186 6 LEU CA C 53.080 0.10 1 39 186 6 LEU CB C 42.040 0.10 1 40 186 6 LEU CD1 C 24.920 0.10 1 41 186 6 LEU CD2 C 22.550 0.10 1 42 186 6 LEU N N 125.730 0.10 1 43 187 7 VAL H H 9.086 0.01 1 44 187 7 VAL HA H 4.106 0.01 1 45 187 7 VAL HB H 1.879 0.01 1 46 187 7 VAL HG1 H 0.528 0.01 2 47 187 7 VAL HG2 H 0.654 0.01 2 48 187 7 VAL C C 173.030 0.10 1 49 187 7 VAL CA C 58.760 0.10 1 50 187 7 VAL CB C 34.380 0.10 1 51 187 7 VAL CG2 C 20.460 0.10 1 52 187 7 VAL N N 123.990 0.10 1 53 188 8 PRO HA H 4.396 0.01 1 54 188 8 PRO HB2 H 2.068 0.01 2 55 188 8 PRO HB3 H 1.750 0.01 2 56 188 8 PRO HG2 H 2.106 0.01 2 57 188 8 PRO HG3 H 1.877 0.01 2 58 188 8 PRO HD2 H 3.717 0.01 2 59 188 8 PRO HD3 H 3.427 0.01 2 60 188 8 PRO C C 174.410 0.10 1 61 188 8 PRO CA C 62.810 0.10 1 62 188 8 PRO CB C 31.640 0.10 1 63 188 8 PRO CD C 50.740 0.10 1 64 189 9 ILE H H 8.639 0.01 1 65 189 9 ILE HA H 4.206 0.01 1 66 189 9 ILE HB H 0.879 0.01 1 67 189 9 ILE HG12 H 1.430 0.01 2 68 189 9 ILE HG13 H 0.877 0.01 2 69 189 9 ILE HG2 H 0.278 0.01 1 70 189 9 ILE HD1 H 0.423 0.01 1 71 189 9 ILE C C 174.880 0.10 1 72 189 9 ILE CA C 57.430 0.10 1 73 189 9 ILE CB C 36.830 0.10 1 74 189 9 ILE CG2 C 17.690 0.10 1 75 189 9 ILE CD1 C 10.390 0.10 1 76 189 9 ILE N N 123.950 0.10 1 77 190 10 ARG H H 8.963 0.01 1 78 190 10 ARG HA H 4.690 0.01 1 79 190 10 ARG HB2 H 1.672 0.01 2 80 190 10 ARG HB3 H 1.576 0.01 2 81 190 10 ARG HG2 H 1.468 0.01 2 82 190 10 ARG HG3 H 1.385 0.01 2 83 190 10 ARG HD2 H 3.084 0.01 2 84 190 10 ARG HD3 H 3.084 0.01 2 85 190 10 ARG HE H 7.235 0.01 1 86 190 10 ARG C C 174.830 0.10 1 87 190 10 ARG CA C 54.820 0.10 1 88 190 10 ARG CB C 32.100 0.10 1 89 190 10 ARG CD C 43.090 0.10 1 90 190 10 ARG N N 126.150 0.10 1 91 191 11 LEU H H 8.833 0.01 1 92 191 11 LEU HA H 4.707 0.01 1 93 191 11 LEU HB2 H 1.159 0.01 1 94 191 11 LEU HB3 H 1.676 0.01 1 95 191 11 LEU HG H 1.479 0.01 1 96 191 11 LEU HD1 H 0.958 0.01 2 97 191 11 LEU HD2 H 0.736 0.01 2 98 191 11 LEU C C 175.110 0.10 1 99 191 11 LEU CA C 52.860 0.10 1 100 191 11 LEU CB C 43.940 0.10 1 101 191 11 LEU N N 124.310 0.10 1 102 192 12 ASP H H 8.805 0.01 1 103 192 12 ASP HA H 5.110 0.01 1 104 192 12 ASP HB2 H 2.657 0.01 1 105 192 12 ASP HB3 H 2.468 0.01 1 106 192 12 ASP C C 173.590 0.10 1 107 192 12 ASP CA C 54.050 0.10 1 108 192 12 ASP CB C 40.660 0.10 1 109 192 12 ASP N N 123.710 0.10 1 110 193 13 MET H H 8.960 0.01 1 111 193 13 MET HA H 4.273 0.01 1 112 193 13 MET HB2 H 1.893 0.01 2 113 193 13 MET HB3 H 2.154 0.01 2 114 193 13 MET HG2 H 2.357 0.01 2 115 193 13 MET HG3 H 2.490 0.01 2 116 193 13 MET HE H 1.897 0.01 1 117 193 13 MET C C 173.510 0.10 1 118 193 13 MET CA C 54.680 0.10 1 119 193 13 MET CB C 37.440 0.10 1 120 193 13 MET CE C 17.220 0.10 1 121 193 13 MET N N 120.490 0.10 1 122 194 14 GLU H H 8.510 0.01 1 123 194 14 GLU HA H 5.177 0.01 1 124 194 14 GLU HB2 H 1.805 0.01 2 125 194 14 GLU HB3 H 1.805 0.01 2 126 194 14 GLU HG2 H 1.768 0.01 2 127 194 14 GLU HG3 H 1.768 0.01 2 128 194 14 GLU C C 174.000 0.10 1 129 194 14 GLU CA C 55.650 0.10 1 130 194 14 GLU CB C 31.940 0.10 1 131 194 14 GLU N N 122.880 0.10 1 132 195 15 ILE H H 8.499 0.01 1 133 195 15 ILE HA H 4.075 0.01 1 134 195 15 ILE HB H 1.209 0.01 1 135 195 15 ILE HG12 H 0.627 0.01 2 136 195 15 ILE HG13 H 0.818 0.01 2 137 195 15 ILE HG2 H 0.494 0.01 1 138 195 15 ILE HD1 H -0.167 0.01 1 139 195 15 ILE C C 175.420 0.10 1 140 195 15 ILE CA C 61.020 0.10 1 141 195 15 ILE CB C 39.740 0.10 1 142 195 15 ILE CG1 C 26.320 0.10 1 143 195 15 ILE CG2 C 16.690 0.10 1 144 195 15 ILE CD1 C 12.130 0.10 1 145 195 15 ILE N N 124.840 0.10 1 146 196 16 ASP H H 9.400 0.01 1 147 196 16 ASP HA H 4.222 0.01 1 148 196 16 ASP HB2 H 2.553 0.01 2 149 196 16 ASP HB3 H 2.923 0.01 2 150 196 16 ASP C C 175.010 0.10 1 151 196 16 ASP CA C 55.270 0.10 1 152 196 16 ASP CB C 39.680 0.10 1 153 196 16 ASP N N 129.330 0.10 1 154 197 17 GLY H H 8.679 0.01 1 155 197 17 GLY HA2 H 3.982 0.01 2 156 197 17 GLY HA3 H 3.714 0.01 2 157 197 17 GLY C C 173.160 0.10 1 158 197 17 GLY CA C 45.340 0.10 1 159 197 17 GLY N N 103.460 0.10 1 160 198 18 GLN H H 7.968 0.01 1 161 198 18 GLN HA H 4.567 0.01 1 162 198 18 GLN HB2 H 2.288 0.01 2 163 198 18 GLN HB3 H 2.087 0.01 2 164 198 18 GLN HG2 H 2.252 0.01 2 165 198 18 GLN HG3 H 2.252 0.01 2 166 198 18 GLN HE21 H 6.967 0.01 1 167 198 18 GLN HE22 H 7.608 0.01 1 168 198 18 GLN C C 173.540 0.10 1 169 198 18 GLN CA C 54.620 0.10 1 170 198 18 GLN CB C 30.630 0.10 1 171 198 18 GLN N N 120.480 0.10 1 172 198 18 GLN NE2 N 113.880 0.10 1 173 199 19 LYS H H 8.560 0.01 1 174 199 19 LYS HA H 4.891 0.01 1 175 199 19 LYS HB2 H 1.679 0.01 2 176 199 19 LYS HB3 H 1.643 0.01 2 177 199 19 LYS HG2 H 1.222 0.01 2 178 199 19 LYS HG3 H 1.312 0.01 2 179 199 19 LYS HD2 H 1.556 0.01 2 180 199 19 LYS HD3 H 1.556 0.01 2 181 199 19 LYS HE2 H 2.842 0.01 2 182 199 19 LYS HE3 H 2.842 0.01 2 183 199 19 LYS C C 174.470 0.10 1 184 199 19 LYS CA C 55.710 0.10 1 185 199 19 LYS CB C 34.890 0.10 1 186 199 19 LYS N N 124.060 0.10 1 187 200 20 LEU H H 8.651 0.01 1 188 200 20 LEU HA H 4.434 0.01 1 189 200 20 LEU HB2 H 1.669 0.01 1 190 200 20 LEU HB3 H 1.171 0.01 1 191 200 20 LEU HG H 1.272 0.01 1 192 200 20 LEU HD1 H 0.777 0.01 2 193 200 20 LEU HD2 H 0.744 0.01 2 194 200 20 LEU C C 173.050 0.10 1 195 200 20 LEU CA C 54.520 0.10 1 196 200 20 LEU CB C 44.950 0.10 1 197 200 20 LEU N N 124.240 0.10 1 198 201 21 ARG H H 8.619 0.01 1 199 201 21 ARG HA H 5.188 0.01 1 200 201 21 ARG HB2 H 1.716 0.01 2 201 201 21 ARG HB3 H 1.644 0.01 2 202 201 21 ARG HG2 H 1.563 0.01 2 203 201 21 ARG HG3 H 1.519 0.01 2 204 201 21 ARG HD2 H 3.093 0.01 2 205 201 21 ARG HD3 H 3.093 0.01 2 206 201 21 ARG HE H 7.136 0.01 1 207 201 21 ARG C C 173.790 0.10 1 208 201 21 ARG CA C 54.650 0.10 1 209 201 21 ARG CB C 31.940 0.10 1 210 201 21 ARG CD C 43.230 0.10 1 211 201 21 ARG N N 127.940 0.10 1 212 202 22 ASP H H 8.662 0.01 1 213 202 22 ASP HA H 4.797 0.01 1 214 202 22 ASP HB2 H 2.342 0.01 1 215 202 22 ASP HB3 H 2.533 0.01 1 216 202 22 ASP C C 172.870 0.10 1 217 202 22 ASP CA C 53.280 0.10 1 218 202 22 ASP CB C 44.680 0.10 1 219 202 22 ASP N N 123.110 0.10 1 220 203 23 ALA H H 9.060 0.01 1 221 203 23 ALA HA H 5.093 0.01 1 222 203 23 ALA HB H 1.299 0.01 1 223 203 23 ALA C C 174.650 0.10 1 224 203 23 ALA CA C 51.570 0.10 1 225 203 23 ALA CB C 21.470 0.10 1 226 203 23 ALA N N 123.810 0.10 1 227 204 24 PHE H H 8.337 0.01 1 228 204 24 PHE HA H 4.920 0.01 1 229 204 24 PHE HB2 H 3.435 0.01 1 230 204 24 PHE HB3 H 3.090 0.01 1 231 204 24 PHE HD1 H 6.937 0.01 3 232 204 24 PHE HD2 H 6.937 0.01 3 233 204 24 PHE HE1 H 6.913 0.01 3 234 204 24 PHE HE2 H 6.913 0.01 3 235 204 24 PHE HZ H 6.847 0.01 1 236 204 24 PHE C C 172.910 0.10 1 237 204 24 PHE CA C 56.100 0.10 1 238 204 24 PHE CB C 39.530 0.10 1 239 204 24 PHE N N 118.340 0.10 1 240 205 25 THR H H 8.586 0.01 1 241 205 25 THR HA H 4.937 0.01 1 242 205 25 THR HB H 3.780 0.01 1 243 205 25 THR HG2 H 0.925 0.01 1 244 205 25 THR C C 172.310 0.10 1 245 205 25 THR CA C 60.540 0.10 1 246 205 25 THR CB C 71.100 0.10 1 247 205 25 THR CG2 C 22.430 0.10 1 248 205 25 THR N N 112.460 0.10 1 249 206 26 TRP H H 9.208 0.01 1 250 206 26 TRP HA H 4.370 0.01 1 251 206 26 TRP HB2 H 2.906 0.01 1 252 206 26 TRP HB3 H 2.719 0.01 1 253 206 26 TRP HD1 H 6.650 0.01 1 254 206 26 TRP HE1 H 10.322 0.01 1 255 206 26 TRP HE3 H 6.929 0.01 1 256 206 26 TRP HZ2 H 7.304 0.01 1 257 206 26 TRP HZ3 H 6.222 0.01 1 258 206 26 TRP HH2 H 6.600 0.01 1 259 206 26 TRP C C 173.330 0.10 1 260 206 26 TRP CA C 55.710 0.10 1 261 206 26 TRP CB C 31.890 0.10 1 262 206 26 TRP N N 125.340 0.10 1 263 207 27 ASN H H 7.681 0.01 1 264 207 27 ASN HA H 4.795 0.01 1 265 207 27 ASN HB2 H 2.346 0.01 2 266 207 27 ASN HB3 H 2.577 0.01 2 267 207 27 ASN HD21 H 6.917 0.01 1 268 207 27 ASN HD22 H 7.550 0.01 1 269 207 27 ASN C C 175.100 0.10 1 270 207 27 ASN CA C 51.300 0.10 1 271 207 27 ASN CB C 38.040 0.10 1 272 207 27 ASN N N 125.740 0.10 1 273 207 27 ASN ND2 N 111.780 0.10 1 274 208 28 MET H H 8.908 0.01 1 275 208 28 MET HA H 4.388 0.01 1 276 208 28 MET HB2 H 2.114 0.01 1 277 208 28 MET HB3 H 1.984 0.01 1 278 208 28 MET HG2 H 2.547 0.01 2 279 208 28 MET HG3 H 2.454 0.01 2 280 208 28 MET HE H 2.031 0.01 1 281 208 28 MET C C 176.580 0.10 1 282 208 28 MET CA C 56.480 0.10 1 283 208 28 MET CB C 31.400 0.10 1 284 208 28 MET CE C 16.190 0.10 1 285 208 28 MET N N 123.880 0.10 1 286 209 29 ASN H H 8.275 0.01 1 287 209 29 ASN HA H 4.712 0.01 1 288 209 29 ASN HB2 H 2.606 0.01 2 289 209 29 ASN HB3 H 2.821 0.01 2 290 209 29 ASN HD21 H 6.860 0.01 1 291 209 29 ASN HD22 H 7.664 0.01 1 292 209 29 ASN C C 174.230 0.10 1 293 209 29 ASN CA C 52.770 0.10 1 294 209 29 ASN CB C 38.460 0.10 1 295 209 29 ASN N N 115.660 0.10 1 296 209 29 ASN ND2 N 112.430 0.10 1 297 210 30 GLU H H 7.403 0.01 1 298 210 30 GLU HA H 3.928 0.01 1 299 210 30 GLU HB2 H 1.807 0.01 1 300 210 30 GLU HB3 H 1.864 0.01 1 301 210 30 GLU HG2 H 2.038 0.01 2 302 210 30 GLU HG3 H 2.038 0.01 2 303 210 30 GLU C C 176.060 0.10 1 304 210 30 GLU CA C 56.610 0.10 1 305 210 30 GLU CB C 29.710 0.10 1 306 210 30 GLU N N 121.680 0.10 1 307 211 31 LYS H H 8.613 0.01 1 308 211 31 LYS HA H 4.414 0.01 1 309 211 31 LYS HB2 H 1.826 0.01 2 310 211 31 LYS HB3 H 1.627 0.01 2 311 211 31 LYS HG2 H 1.365 0.01 2 312 211 31 LYS HG3 H 1.533 0.01 2 313 211 31 LYS HD2 H 1.537 0.01 2 314 211 31 LYS HD3 H 1.594 0.01 2 315 211 31 LYS HE2 H 2.914 0.01 2 316 211 31 LYS HE3 H 2.914 0.01 2 317 211 31 LYS C C 175.990 0.10 1 318 211 31 LYS CA C 56.170 0.10 1 319 211 31 LYS CB C 33.710 0.10 1 320 211 31 LYS N N 125.000 0.10 1 321 212 32 LEU H H 8.377 0.01 1 322 212 32 LEU HA H 4.357 0.01 1 323 212 32 LEU HB2 H 1.512 0.01 1 324 212 32 LEU HB3 H 1.659 0.01 1 325 212 32 LEU HG H 1.528 0.01 1 326 212 32 LEU HD1 H 0.838 0.01 2 327 212 32 LEU HD2 H 0.778 0.01 2 328 212 32 LEU C C 176.360 0.10 1 329 212 32 LEU CA C 56.130 0.10 1 330 212 32 LEU CB C 42.890 0.10 1 331 212 32 LEU N N 120.920 0.10 1 332 213 33 MET H H 8.461 0.01 1 333 213 33 MET HA H 4.758 0.01 1 334 213 33 MET HB2 H 1.932 0.01 2 335 213 33 MET HB3 H 1.863 0.01 2 336 213 33 MET HG2 H 2.540 0.01 2 337 213 33 MET HG3 H 2.427 0.01 2 338 213 33 MET HE H 2.026 0.01 1 339 213 33 MET C C 174.760 0.10 1 340 213 33 MET CA C 54.850 0.10 1 341 213 33 MET CB C 33.060 0.10 1 342 213 33 MET CE C 16.140 0.10 1 343 213 33 MET N N 119.790 0.10 1 344 214 34 THR H H 7.732 0.01 1 345 214 34 THR HA H 4.966 0.01 1 346 214 34 THR HB H 4.704 0.01 1 347 214 34 THR HG1 H 6.042 0.01 1 348 214 34 THR HG2 H 1.379 0.01 1 349 214 34 THR C C 173.590 0.10 1 350 214 34 THR CA C 59.400 0.10 1 351 214 34 THR CB C 69.330 0.10 1 352 214 34 THR CG2 C 22.020 0.10 1 353 214 34 THR N N 115.680 0.10 1 354 215 35 PRO HA H 4.052 0.01 1 355 215 35 PRO HB2 H 1.675 0.01 2 356 215 35 PRO HB3 H 1.889 0.01 2 357 215 35 PRO HG2 H 1.137 0.01 2 358 215 35 PRO HG3 H 1.757 0.01 2 359 215 35 PRO HD2 H 4.051 0.01 2 360 215 35 PRO HD3 H 3.802 0.01 2 361 215 35 PRO C C 177.800 0.10 1 362 215 35 PRO CA C 66.050 0.10 1 363 215 35 PRO CB C 31.950 0.10 1 364 216 36 GLU H H 9.106 0.01 1 365 216 36 GLU HA H 3.697 0.01 1 366 216 36 GLU HB2 H 2.047 0.01 2 367 216 36 GLU HB3 H 1.834 0.01 2 368 216 36 GLU HG2 H 2.560 0.01 2 369 216 36 GLU HG3 H 2.560 0.01 2 370 216 36 GLU C C 177.050 0.10 1 371 216 36 GLU CA C 62.700 0.10 1 372 216 36 GLU CB C 28.030 0.10 1 373 216 36 GLU N N 119.730 0.10 1 374 217 37 MET H H 7.992 0.01 1 375 217 37 MET HA H 4.066 0.01 1 376 217 37 MET HB2 H 2.217 0.01 2 377 217 37 MET HB3 H 2.300 0.01 2 378 217 37 MET HG2 H 2.590 0.01 2 379 217 37 MET HG3 H 2.590 0.01 2 380 217 37 MET HE H 2.166 0.01 1 381 217 37 MET C C 178.310 0.10 1 382 217 37 MET CA C 59.100 0.10 1 383 217 37 MET CB C 34.500 0.10 1 384 217 37 MET CE C 16.870 0.10 1 385 217 37 MET N N 120.730 0.10 1 386 218 38 PHE H H 8.441 0.01 1 387 218 38 PHE HA H 4.064 0.01 1 388 218 38 PHE HB2 H 3.149 0.01 1 389 218 38 PHE HB3 H 3.370 0.01 1 390 218 38 PHE HD1 H 6.973 0.01 3 391 218 38 PHE HD2 H 6.973 0.01 3 392 218 38 PHE HE1 H 6.737 0.01 3 393 218 38 PHE HE2 H 6.737 0.01 3 394 218 38 PHE HZ H 6.468 0.01 1 395 218 38 PHE C C 176.610 0.10 1 396 218 38 PHE CA C 61.530 0.10 1 397 218 38 PHE CB C 40.000 0.10 1 398 218 38 PHE N N 119.240 0.10 1 399 219 39 SER H H 8.162 0.01 1 400 219 39 SER HA H 3.845 0.01 1 401 219 39 SER HB2 H 3.790 0.01 2 402 219 39 SER HB3 H 4.254 0.01 2 403 219 39 SER C C 174.820 0.10 1 404 219 39 SER CA C 62.700 0.10 1 405 219 39 SER CB C 63.780 0.10 1 406 219 39 SER N N 114.820 0.10 1 407 220 40 GLU H H 8.038 0.01 1 408 220 40 GLU HA H 3.628 0.01 1 409 220 40 GLU HB2 H 1.969 0.01 1 410 220 40 GLU HB3 H 2.150 0.01 1 411 220 40 GLU HG2 H 2.426 0.01 2 412 220 40 GLU HG3 H 2.426 0.01 2 413 220 40 GLU C C 178.210 0.10 1 414 220 40 GLU CA C 59.980 0.10 1 415 220 40 GLU CB C 29.480 0.10 1 416 220 40 GLU N N 122.400 0.10 1 417 221 41 ILE H H 7.301 0.01 1 418 221 41 ILE HA H 3.570 0.01 1 419 221 41 ILE HB H 1.618 0.01 1 420 221 41 ILE HG12 H 0.951 0.01 2 421 221 41 ILE HG13 H 0.951 0.01 2 422 221 41 ILE HG2 H 0.667 0.01 1 423 221 41 ILE HD1 H 0.760 0.01 1 424 221 41 ILE C C 177.220 0.10 1 425 221 41 ILE CA C 64.910 0.10 1 426 221 41 ILE CB C 37.800 0.10 1 427 221 41 ILE CG1 C 27.440 0.10 1 428 221 41 ILE CG2 C 16.830 0.10 1 429 221 41 ILE CD1 C 13.480 0.10 1 430 221 41 ILE N N 121.000 0.10 1 431 222 42 LEU H H 7.659 0.01 1 432 222 42 LEU HA H 3.773 0.01 1 433 222 42 LEU HB2 H 1.306 0.01 1 434 222 42 LEU HB3 H 1.109 0.01 1 435 222 42 LEU HG H 1.202 0.01 1 436 222 42 LEU HD1 H 0.576 0.01 2 437 222 42 LEU HD2 H 0.570 0.01 2 438 222 42 LEU C C 178.300 0.10 1 439 222 42 LEU CA C 57.930 0.10 1 440 222 42 LEU CB C 41.940 0.10 1 441 222 42 LEU CD1 C 24.530 0.10 1 442 222 42 LEU CD2 C 24.820 0.10 1 443 222 42 LEU N N 120.550 0.10 1 444 223 43 CYS H H 8.002 0.01 1 445 223 43 CYS HA H 3.657 0.01 1 446 223 43 CYS HB2 H 2.705 0.01 1 447 223 43 CYS HB3 H 2.927 0.01 1 448 223 43 CYS HG H 2.656 0.01 1 449 223 43 CYS C C 176.220 0.10 1 450 223 43 CYS CA C 64.570 0.10 1 451 223 43 CYS CB C 25.880 0.10 1 452 223 43 CYS N N 113.560 0.10 1 453 224 44 ASP H H 7.485 0.01 1 454 224 44 ASP HA H 4.410 0.01 1 455 224 44 ASP HB2 H 2.667 0.01 2 456 224 44 ASP HB3 H 2.667 0.01 2 457 224 44 ASP C C 177.800 0.10 1 458 224 44 ASP CA C 56.850 0.10 1 459 224 44 ASP CB C 40.860 0.10 1 460 224 44 ASP N N 119.120 0.10 1 461 225 45 ASP H H 8.188 0.01 1 462 225 45 ASP HA H 4.233 0.01 1 463 225 45 ASP HB2 H 2.629 0.01 2 464 225 45 ASP HB3 H 2.493 0.01 2 465 225 45 ASP C C 177.520 0.10 1 466 225 45 ASP CA C 57.230 0.10 1 467 225 45 ASP CB C 40.690 0.10 1 468 225 45 ASP N N 119.760 0.10 1 469 226 46 LEU H H 7.848 0.01 1 470 226 46 LEU HA H 4.230 0.01 1 471 226 46 LEU HB2 H 1.404 0.01 2 472 226 46 LEU HB3 H 1.368 0.01 2 473 226 46 LEU HG H 1.574 0.01 1 474 226 46 LEU HD1 H 0.696 0.01 2 475 226 46 LEU HD2 H 0.710 0.01 2 476 226 46 LEU C C 174.920 0.10 1 477 226 46 LEU CA C 54.240 0.10 1 478 226 46 LEU CB C 42.200 0.10 1 479 226 46 LEU CD1 C 25.690 0.10 1 480 226 46 LEU CD2 C 21.980 0.10 1 481 226 46 LEU N N 115.940 0.10 1 482 227 47 ASP H H 7.557 0.01 1 483 227 47 ASP HA H 4.253 0.01 1 484 227 47 ASP HB2 H 2.481 0.01 2 485 227 47 ASP HB3 H 2.917 0.01 2 486 227 47 ASP C C 174.060 0.10 1 487 227 47 ASP CA C 55.160 0.10 1 488 227 47 ASP CB C 38.940 0.10 1 489 227 47 ASP N N 118.880 0.10 1 490 228 48 LEU H H 8.085 0.01 1 491 228 48 LEU HA H 4.272 0.01 1 492 228 48 LEU HB2 H 0.626 0.01 1 493 228 48 LEU HB3 H 1.115 0.01 1 494 228 48 LEU HG H 1.119 0.01 1 495 228 48 LEU HD1 H 0.104 0.01 2 496 228 48 LEU HD2 H 0.110 0.01 2 497 228 48 LEU C C 176.400 0.10 1 498 228 48 LEU CA C 52.540 0.10 1 499 228 48 LEU CB C 43.530 0.10 1 500 228 48 LEU CG C 27.830 0.10 1 501 228 48 LEU CD1 C 25.540 0.10 1 502 228 48 LEU CD2 C 21.310 0.10 1 503 228 48 LEU N N 117.460 0.10 1 504 229 49 ASN H H 8.430 0.01 1 505 229 49 ASN HA H 4.706 0.01 1 506 229 49 ASN HB2 H 2.973 0.01 2 507 229 49 ASN HB3 H 3.295 0.01 2 508 229 49 ASN HD21 H 7.033 0.01 1 509 229 49 ASN HD22 H 7.892 0.01 1 510 229 49 ASN C C 173.830 0.10 1 511 229 49 ASN CA C 50.950 0.10 1 512 229 49 ASN CB C 38.560 0.10 1 513 229 49 ASN N N 120.110 0.10 1 514 229 49 ASN ND2 N 112.190 0.10 1 515 230 50 PRO HA H 4.653 0.01 1 516 230 50 PRO HB2 H 2.252 0.01 2 517 230 50 PRO HB3 H 1.979 0.01 2 518 230 50 PRO HG2 H 2.007 0.01 2 519 230 50 PRO HG3 H 2.007 0.01 2 520 230 50 PRO HD2 H 4.268 0.01 2 521 230 50 PRO HD3 H 3.947 0.01 2 522 230 50 PRO C C 178.710 0.10 1 523 230 50 PRO CA C 64.550 0.10 1 524 230 50 PRO CB C 32.350 0.10 1 525 230 50 PRO CD C 50.830 0.10 1 526 231 51 LEU H H 7.634 0.01 1 527 231 51 LEU HA H 3.983 0.01 1 528 231 51 LEU HB2 H 1.484 0.01 2 529 231 51 LEU HB3 H 1.742 0.01 2 530 231 51 LEU HG H 1.633 0.01 1 531 231 51 LEU HD1 H 0.909 0.01 2 532 231 51 LEU HD2 H 0.832 0.01 2 533 231 51 LEU C C 177.880 0.10 1 534 231 51 LEU CA C 57.450 0.10 1 535 231 51 LEU CB C 41.400 0.10 1 536 231 51 LEU CD1 C 24.650 0.10 1 537 231 51 LEU CD2 C 22.970 0.10 1 538 231 51 LEU N N 116.640 0.10 1 539 232 52 THR H H 6.944 0.01 1 540 232 52 THR HA H 4.144 0.01 1 541 232 52 THR HB H 3.853 0.01 1 542 232 52 THR HG1 H 5.243 0.01 1 543 232 52 THR HG2 H 0.922 0.01 1 544 232 52 THR C C 176.400 0.10 1 545 232 52 THR CA C 61.490 0.10 1 546 232 52 THR CB C 68.440 0.10 1 547 232 52 THR N N 105.090 0.10 1 548 233 53 PHE H H 8.435 0.01 1 549 233 53 PHE HA H 4.116 0.01 1 550 233 53 PHE HB2 H 2.703 0.01 1 551 233 53 PHE HB3 H 3.075 0.01 1 552 233 53 PHE HD1 H 7.310 0.01 1 553 233 53 PHE HD2 H 7.310 0.01 1 554 233 53 PHE HE1 H 7.197 0.01 1 555 233 53 PHE HE2 H 7.197 0.01 1 556 233 53 PHE HZ H 7.193 0.01 1 557 233 53 PHE C C 176.870 0.10 1 558 233 53 PHE CA C 63.100 0.10 1 559 233 53 PHE CB C 40.760 0.10 1 560 233 53 PHE N N 119.260 0.10 1 561 234 54 VAL H H 8.240 0.01 1 562 234 54 VAL HA H 3.755 0.01 1 563 234 54 VAL HB H 2.506 0.01 1 564 234 54 VAL HG1 H 0.906 0.01 2 565 234 54 VAL HG2 H 1.003 0.01 2 566 234 54 VAL C C 174.210 0.10 1 567 234 54 VAL CA C 69.380 0.10 1 568 234 54 VAL CB C 27.980 0.10 1 569 234 54 VAL CG1 C 20.340 0.10 1 570 234 54 VAL CG2 C 25.180 0.10 1 571 234 54 VAL N N 118.520 0.10 1 572 235 55 PRO HA H 4.302 0.01 1 573 235 55 PRO HB2 H 1.780 0.01 2 574 235 55 PRO HB3 H 2.157 0.01 2 575 235 55 PRO HG2 H 1.913 0.01 2 576 235 55 PRO HG3 H 1.944 0.01 2 577 235 55 PRO HD2 H 3.405 0.01 2 578 235 55 PRO HD3 H 3.481 0.01 2 579 235 55 PRO C C 178.990 0.10 1 580 235 55 PRO CA C 64.970 0.10 1 581 235 55 PRO CB C 30.350 0.10 1 582 235 55 PRO CD C 49.150 0.10 1 583 236 56 ALA H H 6.536 0.01 1 584 236 56 ALA HA H 4.049 0.01 1 585 236 56 ALA HB H 1.295 0.01 1 586 236 56 ALA C C 179.780 0.10 1 587 236 56 ALA CA C 54.870 0.10 1 588 236 56 ALA CB C 19.380 0.10 1 589 236 56 ALA N N 118.820 0.10 1 590 237 57 ILE H H 8.945 0.01 1 591 237 57 ILE HA H 3.473 0.01 1 592 237 57 ILE HB H 1.874 0.01 1 593 237 57 ILE HG12 H 2.002 0.01 2 594 237 57 ILE HG13 H 0.787 0.01 2 595 237 57 ILE HG2 H 0.929 0.01 1 596 237 57 ILE HD1 H 0.735 0.01 1 597 237 57 ILE C C 176.710 0.10 1 598 237 57 ILE CA C 65.850 0.10 1 599 237 57 ILE CB C 38.170 0.10 1 600 237 57 ILE CG1 C 28.910 0.10 1 601 237 57 ILE CG2 C 18.650 0.10 1 602 237 57 ILE CD1 C 15.270 0.10 1 603 237 57 ILE N N 120.950 0.10 1 604 238 58 ALA H H 8.398 0.01 1 605 238 58 ALA HA H 3.558 0.01 1 606 238 58 ALA HB H 1.269 0.01 1 607 238 58 ALA C C 178.670 0.10 1 608 238 58 ALA CA C 56.020 0.10 1 609 238 58 ALA CB C 17.940 0.10 1 610 238 58 ALA N N 121.490 0.10 1 611 239 59 SER H H 7.724 0.01 1 612 239 59 SER HA H 4.063 0.01 1 613 239 59 SER HB2 H 3.821 0.01 2 614 239 59 SER HB3 H 3.887 0.01 2 615 239 59 SER C C 175.760 0.10 1 616 239 59 SER CA C 61.280 0.10 1 617 239 59 SER CB C 62.820 0.10 1 618 239 59 SER N N 109.950 0.10 1 619 240 60 ALA H H 7.539 0.01 1 620 240 60 ALA HA H 4.114 0.01 1 621 240 60 ALA HB H 1.371 0.01 1 622 240 60 ALA C C 179.510 0.10 1 623 240 60 ALA CA C 55.150 0.10 1 624 240 60 ALA CB C 18.080 0.10 1 625 240 60 ALA N N 124.880 0.10 1 626 241 61 ILE H H 8.337 0.01 1 627 241 61 ILE HA H 3.205 0.01 1 628 241 61 ILE HB H 1.499 0.01 1 629 241 61 ILE HG12 H 1.901 0.01 2 630 241 61 ILE HG13 H 0.608 0.01 2 631 241 61 ILE HG2 H -0.262 0.01 1 632 241 61 ILE HD1 H 0.683 0.01 1 633 241 61 ILE C C 176.620 0.10 1 634 241 61 ILE CA C 65.970 0.10 1 635 241 61 ILE CB C 38.280 0.10 1 636 241 61 ILE CG2 C 15.720 0.10 1 637 241 61 ILE CD1 C 14.840 0.10 1 638 241 61 ILE N N 117.550 0.10 1 639 242 62 ARG H H 7.958 0.01 1 640 242 62 ARG HA H 3.560 0.01 1 641 242 62 ARG HB2 H 1.679 0.01 2 642 242 62 ARG HB3 H 1.679 0.01 2 643 242 62 ARG HG2 H 1.675 0.01 2 644 242 62 ARG HG3 H 1.675 0.01 2 645 242 62 ARG HD2 H 3.106 0.01 2 646 242 62 ARG HD3 H 3.106 0.01 2 647 242 62 ARG HE H 7.337 0.01 1 648 242 62 ARG C C 177.840 0.10 1 649 242 62 ARG CA C 60.830 0.10 1 650 242 62 ARG CB C 29.460 0.10 1 651 242 62 ARG N N 116.540 0.10 1 652 243 63 GLN H H 8.251 0.01 1 653 243 63 GLN HA H 3.948 0.01 1 654 243 63 GLN HB2 H 2.087 0.01 2 655 243 63 GLN HB3 H 2.087 0.01 2 656 243 63 GLN HG2 H 2.436 0.01 2 657 243 63 GLN HG3 H 2.276 0.01 2 658 243 63 GLN HE21 H 6.725 0.01 1 659 243 63 GLN HE22 H 7.321 0.01 1 660 243 63 GLN C C 178.140 0.10 1 661 243 63 GLN CA C 58.800 0.10 1 662 243 63 GLN CB C 28.480 0.10 1 663 243 63 GLN N N 117.210 0.10 1 664 243 63 GLN NE2 N 111.580 0.10 1 665 244 64 GLN H H 7.673 0.01 1 666 244 64 GLN HA H 4.026 0.01 1 667 244 64 GLN HB2 H 2.088 0.01 1 668 244 64 GLN HB3 H 1.859 0.01 1 669 244 64 GLN HG2 H 2.608 0.01 2 670 244 64 GLN HG3 H 2.272 0.01 2 671 244 64 GLN HE21 H 7.137 0.01 1 672 244 64 GLN HE22 H 7.187 0.01 1 673 244 64 GLN C C 177.990 0.10 1 674 244 64 GLN CA C 59.050 0.10 1 675 244 64 GLN CB C 29.240 0.10 1 676 244 64 GLN N N 118.130 0.10 1 677 245 65 ILE H H 8.109 0.01 1 678 245 65 ILE HA H 3.896 0.01 1 679 245 65 ILE HB H 1.844 0.01 1 680 245 65 ILE HG12 H 1.309 0.01 2 681 245 65 ILE HG13 H 0.862 0.01 2 682 245 65 ILE HG2 H 0.710 0.01 1 683 245 65 ILE HD1 H 0.135 0.01 1 684 245 65 ILE C C 177.440 0.10 1 685 245 65 ILE CA C 64.990 0.10 1 686 245 65 ILE CB C 38.130 0.10 1 687 245 65 ILE CG2 C 17.190 0.10 1 688 245 65 ILE CD1 C 13.620 0.10 1 689 245 65 ILE N N 117.410 0.10 1 690 246 66 GLU H H 7.806 0.01 1 691 246 66 GLU HA H 4.016 0.01 1 692 246 66 GLU HB2 H 2.004 0.01 2 693 246 66 GLU HB3 H 2.004 0.01 2 694 246 66 GLU HG2 H 2.232 0.01 2 695 246 66 GLU HG3 H 2.330 0.01 2 696 246 66 GLU C C 176.760 0.10 1 697 246 66 GLU CA C 58.370 0.10 1 698 246 66 GLU CB C 29.410 0.10 1 699 246 66 GLU N N 119.110 0.10 1 700 247 67 SER H H 7.596 0.01 1 701 247 67 SER HA H 4.351 0.01 1 702 247 67 SER HB2 H 3.818 0.01 2 703 247 67 SER HB3 H 3.842 0.01 2 704 247 67 SER C C 173.010 0.10 1 705 247 67 SER CA C 58.670 0.10 1 706 247 67 SER CB C 63.850 0.10 1 707 247 67 SER N N 111.570 0.10 1 708 248 68 TYR H H 7.527 0.01 1 709 248 68 TYR HA H 4.607 0.01 1 710 248 68 TYR HB2 H 2.956 0.01 1 711 248 68 TYR HB3 H 3.097 0.01 1 712 248 68 TYR HD1 H 7.100 0.01 3 713 248 68 TYR HD2 H 7.100 0.01 3 714 248 68 TYR HE1 H 6.744 0.01 3 715 248 68 TYR HE2 H 6.744 0.01 3 716 248 68 TYR C C 173.320 0.10 1 717 248 68 TYR CA C 57.600 0.10 1 718 248 68 TYR CB C 38.390 0.10 1 719 248 68 TYR N N 125.450 0.10 1 720 249 69 PRO HA H 4.386 0.01 1 721 249 69 PRO HB2 H 1.815 0.01 2 722 249 69 PRO HB3 H 2.095 0.01 2 723 249 69 PRO HG2 H 1.814 0.01 2 724 249 69 PRO HG3 H 1.814 0.01 2 725 249 69 PRO HD2 H 3.681 0.01 1 726 249 69 PRO HD3 H 2.909 0.01 1 727 249 69 PRO C C 176.100 0.10 1 728 249 69 PRO CA C 63.230 0.10 1 729 249 69 PRO CB C 31.340 0.10 1 730 249 69 PRO CD C 50.400 0.10 1 731 250 70 THR H H 8.120 0.01 1 732 250 70 THR HA H 4.253 0.01 1 733 250 70 THR HB H 4.241 0.01 1 734 250 70 THR HG2 H 1.207 0.01 1 735 250 70 THR C C 173.990 0.10 1 736 250 70 THR CA C 61.810 0.10 1 737 250 70 THR CB C 69.690 0.10 1 738 250 70 THR CG2 C 21.590 0.10 1 739 250 70 THR N N 113.830 0.10 1 740 251 71 ASP H H 8.288 0.01 1 741 251 71 ASP HA H 4.540 0.01 1 742 251 71 ASP HB2 H 2.559 0.01 2 743 251 71 ASP HB3 H 2.612 0.01 2 744 251 71 ASP C C 175.590 0.10 1 745 251 71 ASP CA C 54.410 0.10 1 746 251 71 ASP CB C 40.970 0.10 1 747 251 71 ASP N N 121.790 0.10 1 748 252 72 SER H H 8.142 0.01 1 749 252 72 SER HA H 4.333 0.01 1 750 252 72 SER HB2 H 3.726 0.01 2 751 252 72 SER HB3 H 3.726 0.01 2 752 252 72 SER C C 173.560 0.10 1 753 252 72 SER CA C 58.410 0.10 1 754 252 72 SER CB C 63.720 0.10 1 755 252 72 SER N N 115.790 0.10 1 756 253 73 ILE H H 8.026 0.01 1 757 253 73 ILE HA H 4.091 0.01 1 758 253 73 ILE HB H 1.812 0.01 1 759 253 73 ILE HG12 H 1.377 0.01 2 760 253 73 ILE HG13 H 1.102 0.01 2 761 253 73 ILE HG2 H 0.804 0.01 1 762 253 73 ILE HD1 H 0.782 0.01 1 763 253 73 ILE C C 175.390 0.10 1 764 253 73 ILE CA C 61.210 0.10 1 765 253 73 ILE CB C 38.420 0.10 1 766 253 73 ILE CG2 C 17.340 0.10 1 767 253 73 ILE CD1 C 12.770 0.10 1 768 253 73 ILE N N 122.240 0.10 1 769 254 74 LEU H H 8.214 0.01 1 770 254 74 LEU HA H 4.278 0.01 1 771 254 74 LEU HB2 H 1.546 0.01 2 772 254 74 LEU HB3 H 1.491 0.01 2 773 254 74 LEU HG H 1.545 0.01 1 774 254 74 LEU HD1 H 0.835 0.01 2 775 254 74 LEU HD2 H 0.776 0.01 2 776 254 74 LEU C C 176.510 0.10 1 777 254 74 LEU CA C 54.900 0.10 1 778 254 74 LEU CB C 42.110 0.10 1 779 254 74 LEU N N 126.050 0.10 1 780 255 75 GLU H H 8.313 0.01 1 781 255 75 GLU HA H 4.177 0.01 1 782 255 75 GLU HB2 H 1.841 0.01 2 783 255 75 GLU HB3 H 1.943 0.01 2 784 255 75 GLU HG2 H 2.146 0.01 2 785 255 75 GLU HG3 H 2.181 0.01 2 786 255 75 GLU C C 175.380 0.10 1 787 255 75 GLU CA C 56.460 0.10 1 788 255 75 GLU CB C 30.330 0.10 1 789 255 75 GLU N N 121.850 0.10 1 790 256 76 ASP H H 8.320 0.01 1 791 256 76 ASP HA H 4.486 0.01 1 792 256 76 ASP HB2 H 2.545 0.01 2 793 256 76 ASP HB3 H 2.625 0.01 2 794 256 76 ASP C C 175.370 0.10 1 795 256 76 ASP CA C 54.400 0.10 1 796 256 76 ASP CB C 41.000 0.10 1 797 256 76 ASP N N 121.260 0.10 1 798 257 77 GLN H H 8.294 0.01 1 799 257 77 GLN HA H 4.327 0.01 1 800 257 77 GLN HB2 H 2.129 0.01 2 801 257 77 GLN HB3 H 1.874 0.01 2 802 257 77 GLN HG2 H 2.281 0.01 2 803 257 77 GLN HG3 H 2.281 0.01 2 804 257 77 GLN HE21 H 6.883 0.01 1 805 257 77 GLN HE22 H 7.425 0.01 1 806 257 77 GLN C C 174.520 0.10 1 807 257 77 GLN CA C 55.500 0.10 1 808 257 77 GLN CB C 29.360 0.10 1 809 257 77 GLN N N 121.200 0.10 1 810 257 77 GLN NE2 N 112.950 0.10 1 811 258 78 SER H H 8.011 0.01 1 812 258 78 SER HA H 4.143 0.01 1 813 258 78 SER HB2 H 3.769 0.01 2 814 258 78 SER HB3 H 3.769 0.01 2 815 258 78 SER C C 177.920 0.10 1 816 258 78 SER CA C 60.150 0.10 1 817 258 78 SER CB C 64.660 0.10 1 818 258 78 SER N N 122.900 0.10 1 stop_ save_