data_16381 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence-specific resonance assignments of human VDAC-1 in LDAO micelles ; _BMRB_accession_number 16381 _BMRB_flat_file_name bmr16381.str _Entry_type original _Submission_date 2009-06-30 _Accession_date 2009-06-30 _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 Hiller Sebastian . . 2 Garces Robert G. . 3 Malia Thomas J. . 4 Orekhov Vladislav Y. . 5 Wagner Gerhard . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 316 "13C chemical shifts" 513 "15N chemical shifts" 233 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-03 update BMRB 'edit assembly name' 2010-03-01 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural and functional characterization of the integral membrane protein VDAC-1 in lipid bilayer nanodiscs.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19916553 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Raschle Thomas . . 2 Hiller Sebastian . . 3 Yu Tsyr-Yan . . 4 Rice Amanda J. . 5 Walz Thomas . . 6 Wagner Gerhard . . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_name_full 'Journal of the American Chemical Society' _Journal_volume 131 _Journal_issue 49 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 17777 _Page_last 17779 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name VDAC-1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label VDAC-1 $VDAC-1 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_VDAC-1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common VDAC-1 _Molecular_mass 31050.059 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 291 _Mol_residue_sequence ; MAVPPTYADLGKSARDVFTK GYGFGLIKLDLKTKSENGLE FTSSGSANTETTKVTGSLET KYRWTEYGLTFTEKWNTDNT LGTEITVEDQLARGLKLTFD SSFSPNTGKKNAKIKTGYKR EHINLGCDMDFDIAGPSIRG ALVLGYEGWLAGYQMNFETA KSRVTQSNFAVGYKTDEFQL HTNVNDGTEFGGSIYQKVNK KLETAVNLAWTAGNSNTRFG IAAKYQIDPDACFSAKVNNS SLIGLGYTQTLKPGIKLTLS ALLDGKNVNAGGHKLGLGLE FQALEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 VAL 4 PRO 5 PRO 6 THR 7 TYR 8 ALA 9 ASP 10 LEU 11 GLY 12 LYS 13 SER 14 ALA 15 ARG 16 ASP 17 VAL 18 PHE 19 THR 20 LYS 21 GLY 22 TYR 23 GLY 24 PHE 25 GLY 26 LEU 27 ILE 28 LYS 29 LEU 30 ASP 31 LEU 32 LYS 33 THR 34 LYS 35 SER 36 GLU 37 ASN 38 GLY 39 LEU 40 GLU 41 PHE 42 THR 43 SER 44 SER 45 GLY 46 SER 47 ALA 48 ASN 49 THR 50 GLU 51 THR 52 THR 53 LYS 54 VAL 55 THR 56 GLY 57 SER 58 LEU 59 GLU 60 THR 61 LYS 62 TYR 63 ARG 64 TRP 65 THR 66 GLU 67 TYR 68 GLY 69 LEU 70 THR 71 PHE 72 THR 73 GLU 74 LYS 75 TRP 76 ASN 77 THR 78 ASP 79 ASN 80 THR 81 LEU 82 GLY 83 THR 84 GLU 85 ILE 86 THR 87 VAL 88 GLU 89 ASP 90 GLN 91 LEU 92 ALA 93 ARG 94 GLY 95 LEU 96 LYS 97 LEU 98 THR 99 PHE 100 ASP 101 SER 102 SER 103 PHE 104 SER 105 PRO 106 ASN 107 THR 108 GLY 109 LYS 110 LYS 111 ASN 112 ALA 113 LYS 114 ILE 115 LYS 116 THR 117 GLY 118 TYR 119 LYS 120 ARG 121 GLU 122 HIS 123 ILE 124 ASN 125 LEU 126 GLY 127 CYS 128 ASP 129 MET 130 ASP 131 PHE 132 ASP 133 ILE 134 ALA 135 GLY 136 PRO 137 SER 138 ILE 139 ARG 140 GLY 141 ALA 142 LEU 143 VAL 144 LEU 145 GLY 146 TYR 147 GLU 148 GLY 149 TRP 150 LEU 151 ALA 152 GLY 153 TYR 154 GLN 155 MET 156 ASN 157 PHE 158 GLU 159 THR 160 ALA 161 LYS 162 SER 163 ARG 164 VAL 165 THR 166 GLN 167 SER 168 ASN 169 PHE 170 ALA 171 VAL 172 GLY 173 TYR 174 LYS 175 THR 176 ASP 177 GLU 178 PHE 179 GLN 180 LEU 181 HIS 182 THR 183 ASN 184 VAL 185 ASN 186 ASP 187 GLY 188 THR 189 GLU 190 PHE 191 GLY 192 GLY 193 SER 194 ILE 195 TYR 196 GLN 197 LYS 198 VAL 199 ASN 200 LYS 201 LYS 202 LEU 203 GLU 204 THR 205 ALA 206 VAL 207 ASN 208 LEU 209 ALA 210 TRP 211 THR 212 ALA 213 GLY 214 ASN 215 SER 216 ASN 217 THR 218 ARG 219 PHE 220 GLY 221 ILE 222 ALA 223 ALA 224 LYS 225 TYR 226 GLN 227 ILE 228 ASP 229 PRO 230 ASP 231 ALA 232 CYS 233 PHE 234 SER 235 ALA 236 LYS 237 VAL 238 ASN 239 ASN 240 SER 241 SER 242 LEU 243 ILE 244 GLY 245 LEU 246 GLY 247 TYR 248 THR 249 GLN 250 THR 251 LEU 252 LYS 253 PRO 254 GLY 255 ILE 256 LYS 257 LEU 258 THR 259 LEU 260 SER 261 ALA 262 LEU 263 LEU 264 ASP 265 GLY 266 LYS 267 ASN 268 VAL 269 ASN 270 ALA 271 GLY 272 GLY 273 HIS 274 LYS 275 LEU 276 GLY 277 LEU 278 GLY 279 LEU 280 GLU 281 PHE 282 GLN 283 ALA 284 LEU 285 GLU 286 HIS 287 HIS 288 HIS 289 HIS 290 HIS 291 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 PDB 2JK4 "Structure Of The Human Voltage-Dependent Anion Channel" 99.66 294 99.31 99.31 0.00e+00 PDB 2K4T "Solution Structure Of Human Vdac-1 In Ldao Micelles" 100.00 291 100.00 100.00 0.00e+00 PDB 3EMN "The Crystal Structure Of Mouse Vdac1 At 2.3 A Resolution" 97.25 295 98.59 99.65 0.00e+00 PDB 4C69 "Atp Binding To Murine Voltage-dependent Anion Channel 1 (mvdac1)" 97.25 295 98.59 99.65 0.00e+00 DBJ BAB13473 "mitochondrial voltage dependent anion channel [Rattus norvegicus]" 97.25 283 98.59 99.65 0.00e+00 DBJ BAE27004 "unnamed protein product [Mus musculus]" 97.25 283 98.23 99.29 0.00e+00 DBJ BAE31716 "unnamed protein product [Mus musculus]" 97.25 283 98.23 99.29 0.00e+00 DBJ BAE39878 "unnamed protein product [Mus musculus]" 97.25 283 98.23 99.29 0.00e+00 DBJ BAE40179 "unnamed protein product [Mus musculus]" 97.25 283 98.23 99.65 0.00e+00 EMBL CAA52962 "plasmalemmal porin [Bos taurus]" 96.91 282 98.23 98.94 0.00e+00 EMBL CAB58127 "porin isoform 1 [Homo sapiens]" 97.25 283 99.65 99.65 0.00e+00 GB AAA61272 "voltage-dependent anion channel [Homo sapiens]" 97.25 283 100.00 100.00 0.00e+00 GB AAB20246 "Porin 31HM [human, skeletal muscle membranes, Peptide, 282 aa]" 96.91 282 100.00 100.00 0.00e+00 GB AAB47777 "voltage dependent anion channel 1 [Mus musculus]" 97.25 283 98.59 99.65 0.00e+00 GB AAD54939 "voltage-dependent anion channel [Homo sapiens]" 97.25 283 100.00 100.00 0.00e+00 GB AAF22835 "voltage-dependent anion channel 1 [Oryctolagus cuniculus]" 97.25 283 99.65 100.00 0.00e+00 REF NP_001075544 "voltage-dependent anion-selective channel protein 1 [Oryctolagus cuniculus]" 97.25 283 99.65 100.00 0.00e+00 REF NP_001119824 "voltage-dependent anion-selective channel protein 1 [Ovis aries]" 97.25 283 99.29 99.65 0.00e+00 REF NP_001248683 "voltage-dependent anion-selective channel protein 1 [Macaca mulatta]" 97.25 283 99.29 99.65 0.00e+00 REF NP_001270163 "uncharacterized protein LOC101864983 [Macaca fascicularis]" 97.25 283 98.59 99.65 0.00e+00 REF NP_003365 "voltage-dependent anion-selective channel protein 1 [Homo sapiens]" 97.25 283 100.00 100.00 0.00e+00 SP P21796 "RecName: Full=Voltage-dependent anion-selective channel protein 1; Short=VDAC-1; Short=hVDAC1; AltName: Full=Outer mitochondria" 97.25 283 100.00 100.00 0.00e+00 SP P45879 "RecName: Full=Voltage-dependent anion-selective channel protein 1; Short=VDAC-1; AltName: Full=Brain-derived voltage-dependent " 97.25 283 99.65 100.00 0.00e+00 SP Q60932 "RecName: Full=Voltage-dependent anion-selective channel protein 1; Short=VDAC-1; Short=mVDAC1; AltName: Full=Outer mitochondria" 97.25 296 98.59 99.65 0.00e+00 SP Q9MZ16 "RecName: Full=Voltage-dependent anion-selective channel protein 1; Short=VDAC-1" 97.25 283 99.29 100.00 0.00e+00 SP Q9TT15 "RecName: Full=Voltage-dependent anion-selective channel protein 1; Short=VDAC-1; AltName: Full=Outer mitochondrial membrane pro" 97.25 283 99.65 100.00 0.00e+00 TPG DAA27459 "TPA: voltage-dependent anion-selective channel protein 1 [Bos taurus]" 97.25 283 99.65 100.00 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $VDAC-1 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 $VDAC-1 'recombinant technology' . Escherichia coli BL21(DE3) pET21a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelle _Details '400 mM LDAO, 25 mM NaPi, 5 mM DTT, pH 7.0' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $VDAC-1 1 mM '[U-13C; U-15N; U-2H]' LDAO 400 mM 'natural abundance' NaPi 25 mM 'natural abundance' DTT 5 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 25 . mM pH 7.0 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D HNCA' '2D 1H-15N HSQC' '3D HNCACB' '3D HN(CO)CA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name VDAC-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 5 5 PRO CA C 60.879 0.3 1 2 5 5 PRO CB C 30.812 0.3 1 3 6 6 THR H H 7.486 0.020 1 4 6 6 THR CA C 59.955 0.3 1 5 6 6 THR CB C 69.122 0.3 1 6 6 6 THR N N 106.451 0.3 1 7 7 7 TYR H H 7.677 0.020 1 8 7 7 TYR CA C 61.747 0.3 1 9 7 7 TYR CB C 38.771 0.3 1 10 7 7 TYR N N 122.654 0.3 1 11 8 8 ALA H H 8.467 0.020 1 12 8 8 ALA CA C 53.364 0.3 1 13 8 8 ALA CB C 17.525 0.3 1 14 8 8 ALA N N 119.332 0.3 1 15 9 9 ASP H H 7.257 0.020 1 16 9 9 ASP CA C 53.416 0.3 1 17 9 9 ASP CB C 39.753 0.3 1 18 9 9 ASP N N 115.337 0.3 1 19 10 10 LEU H H 7.396 0.020 1 20 10 10 LEU HD1 H 0.339 0.020 1 21 10 10 LEU HD2 H 0.613 0.020 1 22 10 10 LEU CA C 55.752 0.3 1 23 10 10 LEU CB C 38.186 0.3 1 24 10 10 LEU CD1 C 25.280 0.3 1 25 10 10 LEU CD2 C 23.461 0.3 1 26 10 10 LEU N N 125.664 0.3 1 27 24 24 PHE H H 7.158 0.020 1 28 24 24 PHE CA C 56.016 0.3 1 29 24 24 PHE CB C 37.557 0.3 1 30 24 24 PHE N N 120.610 0.3 1 31 25 25 GLY H H 8.167 0.020 1 32 25 25 GLY CA C 45.061 0.3 1 33 25 25 GLY N N 110.433 0.3 1 34 26 26 LEU H H 7.519 0.020 1 35 26 26 LEU HD1 H 0.712 0.020 1 36 26 26 LEU HD2 H 0.816 0.020 1 37 26 26 LEU CA C 52.837 0.3 1 38 26 26 LEU CB C 45.381 0.3 1 39 26 26 LEU CD1 C 25.690 0.3 1 40 26 26 LEU CD2 C 23.097 0.3 1 41 26 26 LEU N N 118.565 0.3 1 42 27 27 ILE H H 8.691 0.020 1 43 27 27 ILE HD1 H 0.829 0.020 1 44 27 27 ILE CA C 59.450 0.3 1 45 27 27 ILE CB C 37.557 0.3 1 46 27 27 ILE CD1 C 13.142 0.3 1 47 27 27 ILE N N 121.032 0.3 1 48 28 28 LYS H H 8.787 0.020 1 49 28 28 LYS CA C 54.653 0.3 1 50 28 28 LYS CB C 35.601 0.3 1 51 28 28 LYS N N 126.956 0.3 1 52 29 29 LEU H H 8.712 0.020 1 53 29 29 LEU HD1 H 0.880 0.020 1 54 29 29 LEU HD2 H 0.855 0.020 1 55 29 29 LEU CA C 53.063 0.3 1 56 29 29 LEU CB C 44.976 0.3 1 57 29 29 LEU CD1 C 24.866 0.3 1 58 29 29 LEU CD2 C 25.372 0.3 1 59 29 29 LEU N N 123.955 0.3 1 60 30 30 ASP H H 8.466 0.020 1 61 30 30 ASP CA C 53.475 0.3 1 62 30 30 ASP CB C 44.715 0.3 1 63 30 30 ASP N N 123.503 0.3 1 64 31 31 LEU H H 9.131 0.020 1 65 31 31 LEU HD1 H 0.832 0.020 1 66 31 31 LEU HD2 H 0.814 0.020 1 67 31 31 LEU CA C 53.586 0.3 1 68 31 31 LEU CB C 44.099 0.3 1 69 31 31 LEU CD1 C 25.829 0.3 1 70 31 31 LEU CD2 C 25.402 0.3 1 71 31 31 LEU N N 123.695 0.3 1 72 32 32 LYS H H 8.554 0.020 1 73 32 32 LYS CA C 54.916 0.3 1 74 32 32 LYS CB C 35.129 0.3 1 75 32 32 LYS N N 125.525 0.3 1 76 33 33 THR H H 9.054 0.020 1 77 33 33 THR CA C 59.794 0.3 1 78 33 33 THR CB C 69.781 0.3 1 79 33 33 THR N N 116.128 0.3 1 80 34 34 LYS H H 8.255 0.020 1 81 34 34 LYS CA C 54.999 0.3 1 82 34 34 LYS CB C 34.492 0.3 1 83 34 34 LYS N N 123.301 0.3 1 84 35 35 SER H H 8.804 0.020 1 85 35 35 SER CA C 56.534 0.3 1 86 35 35 SER CB C 64.038 0.3 1 87 35 35 SER N N 119.824 0.3 1 88 38 38 GLY H H 7.930 0.020 1 89 38 38 GLY CA C 44.966 0.3 1 90 38 38 GLY N N 106.668 0.3 1 91 39 39 LEU H H 7.588 0.020 1 92 39 39 LEU HD1 H 0.751 0.020 1 93 39 39 LEU HD2 H 0.794 0.020 1 94 39 39 LEU CA C 54.693 0.3 1 95 39 39 LEU CB C 41.843 0.3 1 96 39 39 LEU CD1 C 24.620 0.3 1 97 39 39 LEU CD2 C 25.086 0.3 1 98 39 39 LEU N N 122.677 0.3 1 99 40 40 GLU H H 8.820 0.020 1 100 40 40 GLU CA C 54.523 0.3 1 101 40 40 GLU CB C 31.656 0.3 1 102 40 40 GLU N N 124.586 0.3 1 103 41 41 PHE H H 8.835 0.020 1 104 41 41 PHE CA C 55.945 0.3 1 105 41 41 PHE CB C 40.997 0.3 1 106 41 41 PHE N N 125.123 0.3 1 107 42 42 THR H H 8.894 0.020 1 108 42 42 THR CA C 60.726 0.3 1 109 42 42 THR CB C 70.336 0.3 1 110 42 42 THR N N 120.326 0.3 1 111 43 43 SER H H 9.310 0.020 1 112 43 43 SER CA C 56.148 0.3 1 113 43 43 SER CB C 65.345 0.3 1 114 43 43 SER N N 121.903 0.3 1 115 44 44 SER H H 8.601 0.020 1 116 44 44 SER CA C 56.194 0.3 1 117 44 44 SER CB C 64.941 0.3 1 118 44 44 SER N N 120.717 0.3 1 119 45 45 GLY H H 9.144 0.020 1 120 45 45 GLY CA C 44.840 0.3 1 121 45 45 GLY N N 111.869 0.3 1 122 46 46 SER H H 9.129 0.020 1 123 46 46 SER CA C 56.422 0.3 1 124 46 46 SER CB C 65.480 0.3 1 125 46 46 SER N N 116.018 0.3 1 126 47 47 ALA H H 9.185 0.020 1 127 47 47 ALA CA C 49.185 0.3 1 128 47 47 ALA CB C 20.965 0.3 1 129 47 47 ALA N N 123.801 0.3 1 130 48 48 ASN H H 8.360 0.020 1 131 48 48 ASN CA C 52.397 0.3 1 132 48 48 ASN CB C 38.973 0.3 1 133 48 48 ASN N N 122.636 0.3 1 134 53 53 LYS H H 7.558 0.020 1 135 53 53 LYS CA C 56.186 0.3 1 136 53 53 LYS CB C 32.179 0.3 1 137 53 53 LYS N N 120.570 0.3 1 138 54 54 VAL H H 8.649 0.020 1 139 54 54 VAL HG1 H 0.929 0.020 1 140 54 54 VAL HG2 H 0.989 0.020 1 141 54 54 VAL CA C 59.513 0.3 1 142 54 54 VAL CB C 33.224 0.3 1 143 54 54 VAL CG1 C 21.692 0.3 1 144 54 54 VAL CG2 C 20.872 0.3 1 145 54 54 VAL N N 125.689 0.3 1 146 55 55 THR H H 8.782 0.020 1 147 55 55 THR CA C 59.543 0.3 1 148 55 55 THR CB C 70.704 0.3 1 149 55 55 THR N N 118.918 0.3 1 150 56 56 GLY H H 8.313 0.020 1 151 56 56 GLY CA C 45.092 0.3 1 152 56 56 GLY N N 109.839 0.3 1 153 57 57 SER H H 9.197 0.020 1 154 57 57 SER CA C 56.940 0.3 1 155 57 57 SER CB C 65.413 0.3 1 156 57 57 SER N N 113.887 0.3 1 157 58 58 LEU H H 9.187 0.020 1 158 58 58 LEU HD1 H 0.979 0.020 1 159 58 58 LEU HD2 H 0.997 0.020 1 160 58 58 LEU CA C 53.860 0.3 1 161 58 58 LEU CB C 45.381 0.3 1 162 58 58 LEU CD1 C 25.950 0.3 1 163 58 58 LEU CD2 C 24.892 0.3 1 164 58 58 LEU N N 122.589 0.3 1 165 59 59 GLU H H 9.107 0.020 1 166 59 59 GLU CA C 54.347 0.3 1 167 59 59 GLU CB C 32.633 0.3 1 168 59 59 GLU N N 125.060 0.3 1 169 60 60 THR H H 9.061 0.020 1 170 60 60 THR CA C 60.614 0.3 1 171 60 60 THR CB C 69.529 0.3 1 172 60 60 THR N N 120.676 0.3 1 173 61 61 LYS H H 8.990 0.020 1 174 61 61 LYS CA C 54.317 0.3 1 175 61 61 LYS CB C 35.640 0.3 1 176 61 61 LYS N N 127.240 0.3 1 177 62 62 TYR H H 9.377 0.020 1 178 62 62 TYR CA C 56.301 0.3 1 179 62 62 TYR CB C 40.929 0.3 1 180 62 62 TYR N N 125.463 0.3 1 181 63 63 ARG H H 8.168 0.020 1 182 63 63 ARG CA C 54.180 0.3 1 183 63 63 ARG CB C 31.656 0.3 1 184 63 63 ARG N N 124.567 0.3 1 185 64 64 TRP H H 9.003 0.020 1 186 64 64 TRP HE1 H 10.578 0.020 1 187 64 64 TRP CA C 53.814 0.3 1 188 64 64 TRP CB C 28.586 0.3 1 189 64 64 TRP N N 126.652 0.3 1 190 64 64 TRP NE1 N 129.854 0.3 1 191 68 68 GLY H H 7.595 0.020 1 192 68 68 GLY CA C 46.447 0.3 1 193 68 68 GLY N N 105.221 0.3 1 194 69 69 LEU H H 7.375 0.020 1 195 69 69 LEU HD1 H 1.019 0.020 1 196 69 69 LEU HD2 H 0.975 0.020 1 197 69 69 LEU CA C 53.562 0.3 1 198 69 69 LEU CB C 45.246 0.3 1 199 69 69 LEU CD1 C 25.659 0.3 1 200 69 69 LEU CD2 C 25.376 0.3 1 201 69 69 LEU N N 120.717 0.3 1 202 70 70 THR H H 9.076 0.020 1 203 70 70 THR CA C 61.732 0.3 1 204 70 70 THR CB C 70.134 0.3 1 205 70 70 THR N N 120.724 0.3 1 206 71 71 PHE H H 9.351 0.020 1 207 71 71 PHE CA C 55.797 0.3 1 208 71 71 PHE CB C 42.008 0.3 1 209 71 71 PHE N N 128.014 0.3 1 210 72 72 THR H H 9.043 0.020 1 211 72 72 THR CA C 60.584 0.3 1 212 72 72 THR CB C 69.932 0.3 1 213 72 72 THR N N 123.717 0.3 1 214 73 73 GLU H H 8.960 0.020 1 215 73 73 GLU CA C 54.129 0.3 1 216 73 73 GLU CB C 31.756 0.3 1 217 73 73 GLU N N 126.425 0.3 1 218 75 75 TRP H H 9.102 0.020 1 219 75 75 TRP HE1 H 10.466 0.020 1 220 75 75 TRP CA C 56.112 0.3 1 221 75 75 TRP CB C 32.505 0.3 1 222 75 75 TRP N N 124.949 0.3 1 223 75 75 TRP NE1 N 130.356 0.3 1 224 76 76 ASN H H 7.461 0.020 1 225 76 76 ASN CA C 51.148 0.3 1 226 76 76 ASN CB C 40.733 0.3 1 227 76 76 ASN N N 122.757 0.3 1 228 77 77 THR H H 8.042 0.020 1 229 77 77 THR CA C 63.417 0.3 1 230 77 77 THR N N 108.515 0.3 1 231 78 78 ASP H H 7.812 0.020 1 232 78 78 ASP CA C 53.928 0.3 1 233 78 78 ASP N N 121.637 0.3 1 234 79 79 ASN H H 8.475 0.020 1 235 79 79 ASN CA C 53.940 0.3 1 236 79 79 ASN CB C 36.684 0.3 1 237 79 79 ASN N N 114.980 0.3 1 238 80 80 THR H H 7.375 0.020 1 239 80 80 THR CA C 62.598 0.3 1 240 80 80 THR CB C 68.515 0.3 1 241 80 80 THR N N 114.257 0.3 1 242 81 81 LEU H H 8.617 0.020 1 243 81 81 LEU HD1 H 1.027 0.020 1 244 81 81 LEU HD2 H 0.995 0.020 1 245 81 81 LEU CA C 53.072 0.3 1 246 81 81 LEU CB C 43.475 0.3 1 247 81 81 LEU CD1 C 25.198 0.3 1 248 81 81 LEU CD2 C 25.109 0.3 1 249 81 81 LEU N N 128.052 0.3 1 250 83 83 THR H H 8.784 0.020 1 251 83 83 THR CA C 60.862 0.3 1 252 83 83 THR N N 118.120 0.3 1 253 85 85 ILE H H 9.180 0.020 1 254 85 85 ILE HD1 H 1.020 0.020 1 255 85 85 ILE CA C 59.665 0.3 1 256 85 85 ILE CB C 40.660 0.3 1 257 85 85 ILE CD1 C 14.707 0.3 1 258 85 85 ILE N N 127.225 0.3 1 259 86 86 THR H H 9.106 0.020 1 260 86 86 THR CA C 60.489 0.3 1 261 86 86 THR CB C 71.027 0.3 1 262 86 86 THR N N 123.671 0.3 1 263 87 87 VAL H H 9.329 0.020 1 264 87 87 VAL HG1 H 1.012 0.020 1 265 87 87 VAL HG2 H 1.040 0.020 1 266 87 87 VAL CA C 59.701 0.3 1 267 87 87 VAL CB C 33.308 0.3 1 268 87 87 VAL CG1 C 20.926 0.3 1 269 87 87 VAL CG2 C 21.096 0.3 1 270 87 87 VAL N N 124.240 0.3 1 271 88 88 GLU H H 9.460 0.020 1 272 88 88 GLU CA C 55.042 0.3 1 273 88 88 GLU CB C 32.571 0.3 1 274 88 88 GLU N N 130.017 0.3 1 275 93 93 ARG H H 8.939 0.020 1 276 93 93 ARG CA C 57.389 0.3 1 277 93 93 ARG CB C 27.979 0.3 1 278 93 93 ARG N N 124.320 0.3 1 279 94 94 GLY H H 9.442 0.020 1 280 94 94 GLY CA C 44.839 0.3 1 281 94 94 GLY N N 115.751 0.3 1 282 95 95 LEU H H 7.944 0.020 1 283 95 95 LEU HD1 H 1.068 0.020 1 284 95 95 LEU HD2 H 0.984 0.020 1 285 95 95 LEU CA C 53.437 0.3 1 286 95 95 LEU CB C 44.099 0.3 1 287 95 95 LEU CD1 C 24.204 0.3 1 288 95 95 LEU CD2 C 26.778 0.3 1 289 95 95 LEU N N 122.920 0.3 1 290 96 96 LYS H H 9.757 0.020 1 291 96 96 LYS CA C 54.891 0.3 1 292 96 96 LYS CB C 34.994 0.3 1 293 96 96 LYS N N 132.916 0.3 1 294 97 97 LEU H H 8.670 0.020 1 295 97 97 LEU HD1 H 0.898 0.020 1 296 97 97 LEU HD2 H 0.874 0.020 1 297 97 97 LEU CA C 53.186 0.3 1 298 97 97 LEU CB C 44.781 0.3 1 299 97 97 LEU CD1 C 25.246 0.3 1 300 97 97 LEU CD2 C 23.990 0.3 1 301 97 97 LEU N N 127.395 0.3 1 302 98 98 THR H H 9.174 0.020 1 303 98 98 THR CA C 60.860 0.3 1 304 98 98 THR CB C 71.165 0.3 1 305 98 98 THR N N 120.686 0.3 1 306 99 99 PHE H H 9.480 0.020 1 307 99 99 PHE CA C 55.583 0.3 1 308 99 99 PHE CB C 40.659 0.3 1 309 99 99 PHE N N 127.021 0.3 1 310 100 100 ASP H H 8.703 0.020 1 311 100 100 ASP CA C 52.082 0.3 1 312 100 100 ASP CB C 44.032 0.3 1 313 100 100 ASP N N 129.108 0.3 1 314 101 101 SER H H 8.762 0.020 1 315 101 101 SER CA C 56.219 0.3 1 316 101 101 SER CB C 65.008 0.3 1 317 101 101 SER N N 119.285 0.3 1 318 102 102 SER H H 8.738 0.020 1 319 102 102 SER CA C 56.832 0.3 1 320 102 102 SER CB C 65.350 0.3 1 321 102 102 SER N N 118.748 0.3 1 322 103 103 PHE H H 8.942 0.020 1 323 103 103 PHE CA C 55.488 0.3 1 324 103 103 PHE CB C 41.908 0.3 1 325 103 103 PHE N N 122.641 0.3 1 326 104 104 SER H H 7.796 0.020 1 327 104 104 SER CA C 52.713 0.3 1 328 104 104 SER CB C 62.934 0.3 1 329 104 104 SER N N 121.085 0.3 1 330 109 109 LYS H H 7.481 0.020 1 331 109 109 LYS CA C 56.221 0.3 1 332 109 109 LYS CB C 32.228 0.3 1 333 109 109 LYS N N 120.742 0.3 1 334 110 110 LYS H H 8.525 0.020 1 335 110 110 LYS CA C 54.541 0.3 1 336 110 110 LYS CB C 34.117 0.3 1 337 110 110 LYS N N 125.085 0.3 1 338 111 111 ASN H H 8.618 0.020 1 339 111 111 ASN CA C 52.365 0.3 1 340 111 111 ASN CB C 41.671 0.3 1 341 111 111 ASN N N 120.659 0.3 1 342 112 112 ALA H H 8.648 0.020 1 343 112 112 ALA CA C 51.146 0.3 1 344 112 112 ALA CB C 21.234 0.3 1 345 112 112 ALA N N 125.365 0.3 1 346 113 113 LYS H H 9.044 0.020 1 347 113 113 LYS CA C 54.320 0.3 1 348 113 113 LYS CB C 36.073 0.3 1 349 113 113 LYS N N 120.024 0.3 1 350 114 114 ILE H H 8.811 0.020 1 351 114 114 ILE HD1 H 1.041 0.020 1 352 114 114 ILE CA C 58.911 0.3 1 353 114 114 ILE CB C 40.120 0.3 1 354 114 114 ILE CD1 C 14.038 0.3 1 355 114 114 ILE N N 120.799 0.3 1 356 115 115 LYS H H 9.304 0.020 1 357 115 115 LYS CA C 54.411 0.3 1 358 115 115 LYS CB C 33.510 0.3 1 359 115 115 LYS N N 126.895 0.3 1 360 116 116 THR H H 8.732 0.020 1 361 116 116 THR HG1 H 4.363 0.020 1 362 116 116 THR CA C 59.862 0.3 1 363 116 116 THR CB C 70.471 0.3 1 364 116 116 THR N N 117.335 0.3 1 365 117 117 GLY H H 9.194 0.020 1 366 117 117 GLY CA C 44.142 0.3 1 367 117 117 GLY N N 113.975 0.3 1 368 118 118 TYR H H 9.192 0.020 1 369 118 118 TYR CA C 56.225 0.3 1 370 118 118 TYR CB C 41.401 0.3 1 371 118 118 TYR N N 123.864 0.3 1 372 119 119 LYS H H 7.686 0.020 1 373 119 119 LYS CA C 52.746 0.3 1 374 119 119 LYS CB C 34.050 0.3 1 375 119 119 LYS N N 125.312 0.3 1 376 120 120 ARG H H 8.758 0.020 1 377 120 120 ARG CA C 53.499 0.3 1 378 120 120 ARG CB C 30.546 0.3 1 379 120 120 ARG N N 118.531 0.3 1 380 121 121 GLU H H 8.560 0.020 1 381 121 121 GLU CA C 59.230 0.3 1 382 121 121 GLU CB C 27.935 0.3 1 383 121 121 GLU N N 121.076 0.3 1 384 122 122 HIS H H 7.904 0.020 1 385 122 122 HIS CA C 59.271 0.3 1 386 122 122 HIS N N 112.538 0.3 1 387 123 123 ILE H H 7.975 0.020 1 388 123 123 ILE HD1 H 0.942 0.020 1 389 123 123 ILE CA C 59.607 0.3 1 390 123 123 ILE CB C 41.582 0.3 1 391 123 123 ILE CD1 C 14.537 0.3 1 392 123 123 ILE N N 118.224 0.3 1 393 124 124 ASN H H 8.998 0.020 1 394 124 124 ASN CA C 52.624 0.3 1 395 124 124 ASN CB C 40.390 0.3 1 396 124 124 ASN N N 125.431 0.3 1 397 125 125 LEU H H 9.522 0.020 1 398 125 125 LEU HD1 H 0.996 0.020 1 399 125 125 LEU HD2 H 0.941 0.020 1 400 125 125 LEU CA C 53.089 0.3 1 401 125 125 LEU CB C 45.246 0.3 1 402 125 125 LEU CD1 C 24.891 0.3 1 403 125 125 LEU CD2 C 26.191 0.3 1 404 125 125 LEU N N 129.120 0.3 1 405 126 126 GLY H H 9.540 0.020 1 406 126 126 GLY CA C 44.596 0.3 1 407 126 126 GLY N N 114.026 0.3 1 408 127 127 CYS H H 8.570 0.020 1 409 127 127 CYS CA C 57.781 0.3 1 410 127 127 CYS CB C 27.912 0.3 1 411 127 127 CYS N N 121.507 0.3 1 412 128 128 ASP H H 9.404 0.020 1 413 128 128 ASP CA C 52.244 0.3 1 414 128 128 ASP CB C 42.143 0.3 1 415 128 128 ASP N N 130.053 0.3 1 416 129 129 MET H H 9.433 0.020 1 417 129 129 MET CA C 54.159 0.3 1 418 129 129 MET CB C 35.061 0.3 1 419 129 129 MET N N 123.364 0.3 1 420 130 130 ASP H H 8.573 0.020 1 421 130 130 ASP CA C 52.519 0.3 1 422 130 130 ASP CB C 42.104 0.3 1 423 130 130 ASP N N 125.155 0.3 1 424 131 131 PHE H H 8.531 0.020 1 425 131 131 PHE CA C 57.686 0.3 1 426 131 131 PHE CB C 37.354 0.3 1 427 131 131 PHE N N 123.096 0.3 1 428 132 132 ASP H H 7.451 0.020 1 429 132 132 ASP CA C 53.808 0.3 1 430 132 132 ASP CB C 40.733 0.3 1 431 132 132 ASP N N 123.088 0.3 1 432 133 133 ILE H H 8.482 0.020 1 433 133 133 ILE HD1 H 0.952 0.020 1 434 133 133 ILE CA C 62.756 0.3 1 435 133 133 ILE CB C 37.220 0.3 1 436 133 133 ILE CD1 C 13.810 0.3 1 437 133 133 ILE N N 124.609 0.3 1 438 134 134 ALA H H 8.529 0.020 1 439 134 134 ALA CA C 52.228 0.3 1 440 134 134 ALA CB C 17.886 0.3 1 441 134 134 ALA N N 123.622 0.3 1 442 135 135 GLY H H 7.726 0.020 1 443 135 135 GLY CA C 44.312 0.3 1 444 135 135 GLY N N 106.476 0.3 1 445 136 136 PRO CA C 62.661 0.3 1 446 136 136 PRO CB C 31.756 0.3 1 447 137 137 SER H H 8.886 0.020 1 448 137 137 SER CA C 57.073 0.3 1 449 137 137 SER CB C 64.592 0.3 1 450 137 137 SER N N 118.355 0.3 1 451 138 138 ILE H H 9.126 0.020 1 452 138 138 ILE HD1 H 0.820 0.020 1 453 138 138 ILE CA C 59.323 0.3 1 454 138 138 ILE CB C 40.443 0.3 1 455 138 138 ILE CD1 C 14.409 0.3 1 456 138 138 ILE N N 122.658 0.3 1 457 139 139 ARG H H 9.062 0.020 1 458 139 139 ARG CA C 53.614 0.3 1 459 139 139 ARG CB C 31.487 0.3 1 460 139 139 ARG N N 128.664 0.3 1 461 140 140 GLY H H 8.775 0.020 1 462 140 140 GLY CA C 43.613 0.3 1 463 140 140 GLY N N 113.545 0.3 1 464 141 141 ALA H H 8.978 0.020 1 465 141 141 ALA CA C 50.666 0.3 1 466 141 141 ALA CB C 22.245 0.3 1 467 141 141 ALA N N 124.132 0.3 1 468 142 142 LEU H H 9.279 0.020 1 469 142 142 LEU HD1 H 0.959 0.020 1 470 142 142 LEU HD2 H 1.034 0.020 1 471 142 142 LEU CA C 53.367 0.3 1 472 142 142 LEU CB C 45.494 0.3 1 473 142 142 LEU CD1 C 26.402 0.3 1 474 142 142 LEU CD2 C 24.529 0.3 1 475 142 142 LEU N N 124.180 0.3 1 476 143 143 VAL H H 9.045 0.020 1 477 143 143 VAL HG1 H 0.923 0.020 1 478 143 143 VAL HG2 H 1.016 0.020 1 479 143 143 VAL CA C 60.665 0.3 1 480 143 143 VAL CB C 34.252 0.3 1 481 143 143 VAL CG1 C 23.227 0.3 1 482 143 143 VAL CG2 C 22.074 0.3 1 483 143 143 VAL N N 125.433 0.3 1 484 144 144 LEU H H 9.385 0.020 1 485 144 144 LEU HD1 H 1.100 0.020 1 486 144 144 LEU HD2 H 0.931 0.020 1 487 144 144 LEU CA C 51.778 0.3 1 488 144 144 LEU CB C 44.639 0.3 1 489 144 144 LEU CD1 C 24.145 0.3 1 490 144 144 LEU CD2 C 25.934 0.3 1 491 144 144 LEU N N 126.249 0.3 1 492 145 145 GLY H H 8.190 0.020 1 493 145 145 GLY CA C 44.431 0.3 1 494 145 145 GLY N N 105.537 0.3 1 495 146 146 TYR H H 8.507 0.020 1 496 146 146 TYR CA C 58.662 0.3 1 497 146 146 TYR CB C 40.862 0.3 1 498 146 146 TYR N N 123.015 0.3 1 499 147 147 GLU H H 9.125 0.020 1 500 147 147 GLU CA C 56.862 0.3 1 501 147 147 GLU CB C 26.495 0.3 1 502 147 147 GLU N N 125.825 0.3 1 503 148 148 GLY H H 8.123 0.020 1 504 148 148 GLY CA C 44.998 0.3 1 505 148 148 GLY N N 108.825 0.3 1 506 149 149 TRP H H 8.190 0.020 1 507 149 149 TRP HE1 H 10.654 0.020 1 508 149 149 TRP CA C 56.931 0.3 1 509 149 149 TRP CB C 29.733 0.3 1 510 149 149 TRP N N 121.639 0.3 1 511 149 149 TRP NE1 N 130.017 0.3 1 512 150 150 LEU H H 8.999 0.020 1 513 150 150 LEU HD1 H 0.675 0.020 1 514 150 150 LEU HD2 H 0.880 0.020 1 515 150 150 LEU CA C 53.325 0.3 1 516 150 150 LEU CB C 46.463 0.3 1 517 150 150 LEU CD1 C 26.596 0.3 1 518 150 150 LEU CD2 C 24.981 0.3 1 519 150 150 LEU N N 123.818 0.3 1 520 151 151 ALA H H 8.891 0.020 1 521 151 151 ALA CA C 50.490 0.3 1 522 151 151 ALA CB C 21.207 0.3 1 523 151 151 ALA N N 121.838 0.3 1 524 152 152 GLY H H 9.677 0.020 1 525 152 152 GLY CA C 45.037 0.3 1 526 152 152 GLY N N 107.987 0.3 1 527 153 153 TYR H H 9.242 0.020 1 528 153 153 TYR CA C 55.744 0.3 1 529 153 153 TYR CB C 43.088 0.3 1 530 153 153 TYR N N 122.275 0.3 1 531 154 154 GLN H H 8.248 0.020 1 532 154 154 GLN CA C 52.886 0.3 1 533 154 154 GLN CB C 30.947 0.3 1 534 154 154 GLN N N 128.203 0.3 1 535 155 155 MET H H 8.785 0.020 1 536 155 155 MET CA C 52.624 0.3 1 537 155 155 MET CB C 34.589 0.3 1 538 155 155 MET N N 121.530 0.3 1 539 156 156 ASN H H 7.995 0.020 1 540 156 156 ASN CA C 51.991 0.3 1 541 156 156 ASN CB C 42.076 0.3 1 542 156 156 ASN N N 119.652 0.3 1 543 157 157 PHE H H 9.586 0.020 1 544 157 157 PHE CA C 55.954 0.3 1 545 157 157 PHE CB C 41.469 0.3 1 546 157 157 PHE N N 127.825 0.3 1 547 158 158 GLU H H 8.102 0.020 1 548 158 158 GLU CA C 54.605 0.3 1 549 158 158 GLU CB C 29.598 0.3 1 550 158 158 GLU N N 127.898 0.3 1 551 159 159 THR H H 7.675 0.020 1 552 159 159 THR CA C 64.645 0.3 1 553 159 159 THR CB C 67.244 0.3 1 554 159 159 THR N N 117.158 0.3 1 555 160 160 ALA H H 9.204 0.020 1 556 160 160 ALA CA C 54.157 0.3 1 557 160 160 ALA CB C 17.683 0.3 1 558 160 160 ALA N N 125.211 0.3 1 559 162 162 SER H H 7.501 0.020 1 560 162 162 SER CA C 58.086 0.3 1 561 162 162 SER CB C 60.826 0.3 1 562 162 162 SER N N 114.926 0.3 1 563 163 163 ARG H H 6.858 0.020 1 564 163 163 ARG CA C 53.530 0.3 1 565 163 163 ARG CB C 32.768 0.3 1 566 163 163 ARG N N 115.307 0.3 1 567 164 164 VAL H H 8.864 0.020 1 568 164 164 VAL HG1 H 1.217 0.020 1 569 164 164 VAL HG2 H 1.101 0.020 1 570 164 164 VAL CA C 61.748 0.3 1 571 164 164 VAL CB C 30.745 0.3 1 572 164 164 VAL CG1 C 22.603 0.3 1 573 164 164 VAL CG2 C 22.167 0.3 1 574 164 164 VAL N N 124.584 0.3 1 575 165 165 THR H H 8.675 0.020 1 576 165 165 THR CA C 61.066 0.3 1 577 165 165 THR CB C 68.043 0.3 1 578 165 165 THR N N 119.248 0.3 1 579 166 166 GLN H H 7.459 0.020 1 580 166 166 GLN CA C 55.076 0.3 1 581 166 166 GLN CB C 32.094 0.3 1 582 166 166 GLN N N 121.319 0.3 1 583 167 167 SER H H 8.339 0.020 1 584 167 167 SER CA C 56.725 0.3 1 585 167 167 SER CB C 62.585 0.3 1 586 167 167 SER N N 119.139 0.3 1 587 168 168 ASN H H 9.174 0.020 1 588 168 168 ASN CA C 51.254 0.3 1 589 168 168 ASN CB C 40.858 0.3 1 590 168 168 ASN N N 127.627 0.3 1 591 169 169 PHE H H 8.645 0.020 1 592 169 169 PHE CA C 55.860 0.3 1 593 169 169 PHE CB C 43.418 0.3 1 594 169 169 PHE N N 118.349 0.3 1 595 170 170 ALA H H 8.860 0.020 1 596 170 170 ALA CA C 50.772 0.3 1 597 170 170 ALA CB C 23.075 0.3 1 598 170 170 ALA N N 122.645 0.3 1 599 171 171 VAL H H 8.265 0.020 1 600 171 171 VAL HG1 H 1.163 0.020 1 601 171 171 VAL HG2 H 1.094 0.020 1 602 171 171 VAL CA C 59.884 0.3 1 603 171 171 VAL CB C 34.700 0.3 1 604 171 171 VAL CG1 C 21.395 0.3 1 605 171 171 VAL CG2 C 21.559 0.3 1 606 171 171 VAL N N 116.988 0.3 1 607 172 172 GLY H H 9.484 0.020 1 608 172 172 GLY CA C 45.448 0.3 1 609 172 172 GLY N N 113.250 0.3 1 610 173 173 TYR H H 8.616 0.020 1 611 173 173 TYR CA C 56.312 0.3 1 612 173 173 TYR CB C 41.965 0.3 1 613 173 173 TYR N N 119.695 0.3 1 614 174 174 LYS H H 8.790 0.020 1 615 174 174 LYS CA C 55.189 0.3 1 616 174 174 LYS CB C 35.398 0.3 1 617 174 174 LYS N N 129.573 0.3 1 618 175 175 THR H H 8.703 0.020 1 619 175 175 THR CA C 59.204 0.3 1 620 175 175 THR CB C 70.674 0.3 1 621 175 175 THR N N 118.442 0.3 1 622 178 178 PHE H H 7.544 0.020 1 623 178 178 PHE CA C 55.919 0.3 1 624 178 178 PHE CB C 41.469 0.3 1 625 178 178 PHE N N 120.108 0.3 1 626 179 179 GLN H H 8.737 0.020 1 627 179 179 GLN CA C 53.501 0.3 1 628 179 179 GLN CB C 31.487 0.3 1 629 179 179 GLN N N 122.680 0.3 1 630 180 180 LEU H H 9.396 0.020 1 631 180 180 LEU HD1 H 1.049 0.020 1 632 180 180 LEU HD2 H 1.021 0.020 1 633 180 180 LEU CA C 53.181 0.3 1 634 180 180 LEU CB C 44.571 0.3 1 635 180 180 LEU CD1 C 24.947 0.3 1 636 180 180 LEU CD2 C 25.664 0.3 1 637 180 180 LEU N N 127.863 0.3 1 638 181 181 HIS H H 9.193 0.020 1 639 181 181 HIS CA C 55.829 0.3 1 640 181 181 HIS CB C 33.224 0.3 1 641 181 181 HIS N N 128.992 0.3 1 642 182 182 THR HG1 H 3.694 0.020 1 643 183 183 ASN H H 8.898 0.020 1 644 183 183 ASN CA C 52.806 0.3 1 645 183 183 ASN CB C 42.346 0.3 1 646 183 183 ASN N N 116.649 0.3 1 647 184 184 VAL H H 8.951 0.020 1 648 184 184 VAL HG1 H 0.677 0.020 1 649 184 184 VAL HG2 H 0.571 0.020 1 650 184 184 VAL CA C 59.732 0.3 1 651 184 184 VAL CB C 32.701 0.3 1 652 184 184 VAL CG1 C 20.090 0.3 1 653 184 184 VAL CG2 C 21.452 0.3 1 654 184 184 VAL N N 118.346 0.3 1 655 185 185 ASN H H 9.390 0.020 1 656 185 185 ASN CA C 51.045 0.3 1 657 185 185 ASN CB C 37.557 0.3 1 658 185 185 ASN N N 129.680 0.3 1 659 186 186 ASP H H 9.045 0.020 1 660 186 186 ASP CA C 55.590 0.3 1 661 186 186 ASP CB C 39.917 0.3 1 662 186 186 ASP N N 125.336 0.3 1 663 187 187 GLY H H 8.724 0.020 1 664 187 187 GLY CA C 45.794 0.3 1 665 187 187 GLY N N 105.448 0.3 1 666 188 188 THR H H 7.662 0.020 1 667 188 188 THR CA C 62.207 0.3 1 668 188 188 THR CB C 70.606 0.3 1 669 188 188 THR N N 109.251 0.3 1 670 189 189 GLU H H 7.673 0.020 1 671 189 189 GLU CA C 54.380 0.3 1 672 189 189 GLU CB C 30.205 0.3 1 673 189 189 GLU N N 123.059 0.3 1 674 190 190 PHE H H 8.912 0.020 1 675 190 190 PHE CA C 55.586 0.3 1 676 190 190 PHE CB C 40.235 0.3 1 677 190 190 PHE N N 125.796 0.3 1 678 191 191 GLY H H 8.582 0.020 1 679 191 191 GLY CA C 44.273 0.3 1 680 191 191 GLY N N 110.811 0.3 1 681 192 192 GLY H H 8.655 0.020 1 682 192 192 GLY CA C 45.283 0.3 1 683 192 192 GLY N N 105.824 0.3 1 684 193 193 SER H H 9.813 0.020 1 685 193 193 SER CA C 55.847 0.3 1 686 193 193 SER CB C 66.045 0.3 1 687 193 193 SER N N 114.818 0.3 1 688 194 194 ILE H H 8.802 0.020 1 689 194 194 ILE HD1 H 0.900 0.020 1 690 194 194 ILE CA C 59.389 0.3 1 691 194 194 ILE CB C 41.064 0.3 1 692 194 194 ILE CD1 C 13.973 0.3 1 693 194 194 ILE N N 119.112 0.3 1 694 195 195 TYR H H 8.806 0.020 1 695 195 195 TYR CA C 55.328 0.3 1 696 195 195 TYR CB C 41.806 0.3 1 697 195 195 TYR N N 127.569 0.3 1 698 196 196 GLN H H 8.304 0.020 1 699 196 196 GLN CA C 53.396 0.3 1 700 196 196 GLN CB C 31.309 0.3 1 701 196 196 GLN N N 125.716 0.3 1 702 197 197 LYS H H 8.949 0.020 1 703 197 197 LYS CA C 55.486 0.3 1 704 197 197 LYS CB C 30.880 0.3 1 705 197 197 LYS N N 130.566 0.3 1 706 198 198 VAL H H 8.633 0.020 1 707 198 198 VAL HG1 H 0.966 0.020 1 708 198 198 VAL HG2 H 0.876 0.020 1 709 198 198 VAL CA C 64.707 0.3 1 710 198 198 VAL CG1 C 21.570 0.3 1 711 198 198 VAL CG2 C 22.816 0.3 1 712 198 198 VAL N N 131.307 0.3 1 713 203 203 GLU H H 8.876 0.020 1 714 203 203 GLU CA C 53.869 0.3 1 715 203 203 GLU CB C 33.681 0.3 1 716 203 203 GLU N N 125.774 0.3 1 717 204 204 THR H H 8.420 0.020 1 718 204 204 THR CA C 59.137 0.3 1 719 204 204 THR CB C 71.753 0.3 1 720 204 204 THR N N 112.318 0.3 1 721 205 205 ALA H H 9.066 0.020 1 722 205 205 ALA CA C 50.530 0.3 1 723 205 205 ALA CB C 23.123 0.3 1 724 205 205 ALA N N 122.616 0.3 1 725 206 206 VAL H H 8.983 0.020 1 726 206 206 VAL HG1 H 1.103 0.020 1 727 206 206 VAL HG2 H 1.053 0.020 1 728 206 206 VAL CA C 59.133 0.3 1 729 206 206 VAL CB C 35.061 0.3 1 730 206 206 VAL CG1 C 21.560 0.3 1 731 206 206 VAL CG2 C 21.141 0.3 1 732 206 206 VAL N N 116.946 0.3 1 733 207 207 ASN H H 8.904 0.020 1 734 207 207 ASN CA C 51.752 0.3 1 735 207 207 ASN CB C 41.806 0.3 1 736 207 207 ASN N N 122.714 0.3 1 737 208 208 LEU H H 8.744 0.020 1 738 208 208 LEU HD1 H 0.983 0.020 1 739 208 208 LEU HD2 H 0.913 0.020 1 740 208 208 LEU CA C 53.931 0.3 1 741 208 208 LEU CB C 45.448 0.3 1 742 208 208 LEU CD1 C 25.242 0.3 1 743 208 208 LEU CD2 C 26.395 0.3 1 744 208 208 LEU N N 121.695 0.3 1 745 209 209 ALA H H 9.242 0.020 1 746 209 209 ALA CA C 51.596 0.3 1 747 209 209 ALA CB C 21.909 0.3 1 748 209 209 ALA N N 126.631 0.3 1 749 210 210 TRP H H 9.009 0.020 1 750 210 210 TRP HE1 H 10.165 0.020 1 751 210 210 TRP CA C 57.359 0.3 1 752 210 210 TRP CB C 31.352 0.3 1 753 210 210 TRP N N 121.464 0.3 1 754 210 210 TRP NE1 N 131.738 0.3 1 755 211 211 THR H H 8.562 0.020 1 756 211 211 THR CA C 60.078 0.3 1 757 211 211 THR CB C 69.999 0.3 1 758 211 211 THR N N 120.797 0.3 1 759 212 212 ALA H H 8.725 0.020 1 760 212 212 ALA CA C 52.953 0.3 1 761 212 212 ALA CB C 17.795 0.3 1 762 212 212 ALA N N 127.312 0.3 1 763 213 213 GLY H H 8.436 0.020 1 764 213 213 GLY CA C 44.749 0.3 1 765 213 213 GLY N N 110.319 0.3 1 766 214 214 ASN H H 7.995 0.020 1 767 214 214 ASN CA C 51.996 0.3 1 768 214 214 ASN CB C 39.100 0.3 1 769 214 214 ASN N N 119.485 0.3 1 770 216 216 ASN H H 8.428 0.020 1 771 216 216 ASN CA C 52.768 0.3 1 772 216 216 ASN CB C 38.505 0.3 1 773 216 216 ASN N N 120.643 0.3 1 774 217 217 THR H H 8.415 0.020 1 775 217 217 THR CA C 62.311 0.3 1 776 217 217 THR CB C 69.090 0.3 1 777 217 217 THR N N 119.510 0.3 1 778 218 218 ARG H H 9.072 0.020 1 779 218 218 ARG CA C 54.723 0.3 1 780 218 218 ARG CB C 30.610 0.3 1 781 218 218 ARG N N 125.754 0.3 1 782 219 219 PHE H H 8.074 0.020 1 783 219 219 PHE CA C 55.596 0.3 1 784 219 219 PHE CB C 41.469 0.3 1 785 219 219 PHE N N 119.231 0.3 1 786 220 220 GLY H H 8.600 0.020 1 787 220 220 GLY CA C 44.807 0.3 1 788 220 220 GLY N N 107.775 0.3 1 789 221 221 ILE H H 8.830 0.020 1 790 221 221 ILE HD1 H 0.837 0.020 1 791 221 221 ILE CA C 59.315 0.3 1 792 221 221 ILE CB C 41.066 0.3 1 793 221 221 ILE CD1 C 14.300 0.3 1 794 221 221 ILE N N 118.801 0.3 1 795 222 222 ALA H H 8.894 0.020 1 796 222 222 ALA CA C 50.001 0.3 1 797 222 222 ALA CB C 21.691 0.3 1 798 222 222 ALA N N 126.368 0.3 1 799 223 223 ALA H H 9.235 0.020 1 800 223 223 ALA CA C 49.951 0.3 1 801 223 223 ALA CB C 22.868 0.3 1 802 223 223 ALA N N 119.485 0.3 1 803 224 224 LYS H H 8.790 0.020 1 804 224 224 LYS CA C 55.913 0.3 1 805 224 224 LYS CB C 35.668 0.3 1 806 224 224 LYS N N 122.697 0.3 1 807 225 225 TYR H H 9.904 0.020 1 808 225 225 TYR CA C 54.913 0.3 1 809 225 225 TYR CB C 41.469 0.3 1 810 225 225 TYR N N 129.170 0.3 1 811 226 226 GLN H H 9.052 0.020 1 812 226 226 GLN CA C 54.137 0.3 1 813 226 226 GLN CB C 26.428 0.3 1 814 226 226 GLN N N 131.810 0.3 1 815 227 227 ILE H H 7.835 0.020 1 816 227 227 ILE HD1 H 1.079 0.020 1 817 227 227 ILE CA C 64.267 0.3 1 818 227 227 ILE CB C 38.371 0.3 1 819 227 227 ILE CD1 C 15.022 0.3 1 820 227 227 ILE N N 130.194 0.3 1 821 228 228 ASP H H 8.474 0.020 1 822 228 228 ASP CA C 52.432 0.3 1 823 228 228 ASP CB C 39.884 0.3 1 824 228 228 ASP N N 118.535 0.3 1 825 229 229 PRO CA C 65.308 0.3 1 826 229 229 PRO CB C 32.571 0.3 1 827 230 230 ASP H H 8.524 0.020 1 828 230 230 ASP CA C 53.436 0.3 1 829 230 230 ASP CB C 42.431 0.3 1 830 230 230 ASP N N 114.301 0.3 1 831 231 231 ALA H H 7.679 0.020 1 832 231 231 ALA CA C 51.336 0.3 1 833 231 231 ALA CB C 22.188 0.3 1 834 231 231 ALA N N 124.327 0.3 1 835 232 232 CYS H H 8.469 0.020 1 836 232 232 CYS CA C 55.885 0.3 1 837 232 232 CYS CB C 30.003 0.3 1 838 232 232 CYS N N 119.369 0.3 1 839 233 233 PHE H H 9.264 0.020 1 840 233 233 PHE CA C 55.171 0.3 1 841 233 233 PHE CB C 43.020 0.3 1 842 233 233 PHE N N 127.998 0.3 1 843 234 234 SER H H 9.360 0.020 1 844 234 234 SER CA C 57.111 0.3 1 845 234 234 SER CB C 64.064 0.3 1 846 234 234 SER N N 124.759 0.3 1 847 235 235 ALA H H 8.032 0.020 1 848 235 235 ALA CA C 50.539 0.3 1 849 235 235 ALA CB C 22.516 0.3 1 850 235 235 ALA N N 122.973 0.3 1 851 236 236 LYS H H 9.067 0.020 1 852 236 236 LYS CA C 54.443 0.3 1 853 236 236 LYS CB C 35.530 0.3 1 854 236 236 LYS N N 114.961 0.3 1 855 237 237 VAL H H 8.967 0.020 1 856 237 237 VAL HG1 H 0.948 0.020 1 857 237 237 VAL HG2 H 1.041 0.020 1 858 237 237 VAL CA C 59.315 0.3 1 859 237 237 VAL CB C 33.982 0.3 1 860 237 237 VAL CG1 C 20.154 0.3 1 861 237 237 VAL CG2 C 21.333 0.3 1 862 237 237 VAL N N 117.014 0.3 1 863 238 238 ASN H H 7.582 0.020 1 864 238 238 ASN CA C 50.559 0.3 1 865 238 238 ASN CB C 40.592 0.3 1 866 238 238 ASN N N 122.722 0.3 1 867 239 239 ASN H H 8.503 0.020 1 868 239 239 ASN CA C 54.632 0.3 1 869 239 239 ASN CB C 36.343 0.3 1 870 239 239 ASN N N 113.619 0.3 1 871 240 240 SER H H 7.848 0.020 1 872 240 240 SER CA C 57.938 0.3 1 873 240 240 SER CB C 61.954 0.3 1 874 240 240 SER N N 117.371 0.3 1 875 241 241 SER H H 8.196 0.020 1 876 241 241 SER CA C 59.324 0.3 1 877 241 241 SER N N 109.648 0.3 1 878 242 242 LEU H H 7.355 0.020 1 879 242 242 LEU HD1 H 0.730 0.020 1 880 242 242 LEU HD2 H 0.848 0.020 1 881 242 242 LEU CA C 53.569 0.3 1 882 242 242 LEU CB C 39.985 0.3 1 883 242 242 LEU CD1 C 22.829 0.3 1 884 242 242 LEU CD2 C 25.174 0.3 1 885 242 242 LEU N N 118.709 0.3 1 886 243 243 ILE H H 9.098 0.020 1 887 243 243 ILE HD1 H 0.840 0.020 1 888 243 243 ILE CA C 59.198 0.3 1 889 243 243 ILE CB C 39.917 0.3 1 890 243 243 ILE CD1 C 14.882 0.3 1 891 243 243 ILE N N 127.018 0.3 1 892 244 244 GLY H H 9.311 0.020 1 893 244 244 GLY CA C 43.866 0.3 1 894 244 244 GLY N N 114.839 0.3 1 895 245 245 LEU H H 9.410 0.020 1 896 245 245 LEU HD1 H 1.145 0.020 1 897 245 245 LEU HD2 H 0.908 0.020 1 898 245 245 LEU CA C 53.039 0.3 1 899 245 245 LEU CB C 45.920 0.3 1 900 245 245 LEU CD1 C 23.889 0.3 1 901 245 245 LEU CD2 C 26.168 0.3 1 902 245 245 LEU N N 122.378 0.3 1 903 246 246 GLY H H 9.230 0.020 1 904 246 246 GLY CA C 44.421 0.3 1 905 246 246 GLY N N 110.853 0.3 1 906 247 247 TYR H H 9.117 0.020 1 907 247 247 TYR CA C 55.902 0.3 1 908 247 247 TYR CB C 42.413 0.3 1 909 247 247 TYR N N 125.639 0.3 1 910 248 248 THR H H 8.425 0.020 1 911 248 248 THR CA C 60.583 0.3 1 912 248 248 THR CB C 70.471 0.3 1 913 248 248 THR N N 124.661 0.3 1 914 249 249 GLN H H 9.133 0.020 1 915 249 249 GLN CA C 52.176 0.3 1 916 249 249 GLN CB C 32.633 0.3 1 917 249 249 GLN N N 126.822 0.3 1 918 251 251 LEU H H 9.443 0.020 1 919 251 251 LEU CA C 52.901 0.3 1 920 251 251 LEU CB C 42.683 0.3 1 921 251 251 LEU N N 128.754 0.3 1 922 253 253 PRO CA C 62.189 0.3 1 923 253 253 PRO CB C 32.026 0.3 1 924 254 254 GLY H H 8.574 0.020 1 925 254 254 GLY CA C 46.916 0.3 1 926 254 254 GLY N N 110.760 0.3 1 927 255 255 ILE H H 8.226 0.020 1 928 255 255 ILE HD1 H 0.859 0.020 1 929 255 255 ILE CA C 59.638 0.3 1 930 255 255 ILE CB C 38.888 0.3 1 931 255 255 ILE CD1 C 14.203 0.3 1 932 255 255 ILE N N 121.659 0.3 1 933 256 256 LYS H H 8.728 0.020 1 934 256 256 LYS CA C 54.582 0.3 1 935 256 256 LYS N N 127.148 0.3 1 936 257 257 LEU H H 8.843 0.020 1 937 257 257 LEU HD1 H 0.987 0.020 1 938 257 257 LEU HD2 H 0.957 0.020 1 939 257 257 LEU CA C 52.757 0.3 1 940 257 257 LEU CB C 45.148 0.3 1 941 257 257 LEU CD1 C 24.417 0.3 1 942 257 257 LEU CD2 C 24.487 0.3 1 943 257 257 LEU N N 127.670 0.3 1 944 258 258 THR H H 9.658 0.020 1 945 258 258 THR CA C 60.937 0.3 1 946 258 258 THR CB C 70.404 0.3 1 947 258 258 THR N N 123.241 0.3 1 948 259 259 LEU H H 9.236 0.020 1 949 259 259 LEU HD1 H 1.071 0.020 1 950 259 259 LEU HD2 H 1.050 0.020 1 951 259 259 LEU CA C 52.693 0.3 1 952 259 259 LEU CB C 44.664 0.3 1 953 259 259 LEU CD1 C 25.109 0.3 1 954 259 259 LEU CD2 C 24.895 0.3 1 955 259 259 LEU N N 129.593 0.3 1 956 260 260 SER H H 8.842 0.020 1 957 260 260 SER CA C 56.503 0.3 1 958 260 260 SER CB C 65.907 0.3 1 959 260 260 SER N N 115.384 0.3 1 960 261 261 ALA H H 9.600 0.020 1 961 261 261 ALA CA C 50.942 0.3 1 962 261 261 ALA CB C 22.245 0.3 1 963 261 261 ALA N N 120.668 0.3 1 964 262 262 LEU H H 8.739 0.020 1 965 262 262 LEU HD1 H 0.356 0.020 1 966 262 262 LEU HD2 H 0.496 0.020 1 967 262 262 LEU CA C 52.146 0.3 1 968 262 262 LEU CB C 42.548 0.3 1 969 262 262 LEU CD1 C 22.597 0.3 1 970 262 262 LEU CD2 C 25.456 0.3 1 971 262 262 LEU N N 124.848 0.3 1 972 263 263 LEU H H 9.544 0.020 1 973 263 263 LEU HD1 H 0.644 0.020 1 974 263 263 LEU HD2 H 0.702 0.020 1 975 263 263 LEU CA C 52.082 0.3 1 976 263 263 LEU CB C 42.885 0.3 1 977 263 263 LEU CD1 C 24.058 0.3 1 978 263 263 LEU CD2 C 25.160 0.3 1 979 263 263 LEU N N 126.367 0.3 1 980 264 264 ASP H H 9.904 0.020 1 981 264 264 ASP CA C 52.080 0.3 1 982 264 264 ASP CB C 39.176 0.3 1 983 264 264 ASP N N 124.616 0.3 1 984 265 265 GLY H H 8.505 0.020 1 985 265 265 GLY CA C 45.866 0.3 1 986 265 265 GLY N N 112.746 0.3 1 987 266 266 LYS H H 8.167 0.020 1 988 266 266 LYS CA C 56.612 0.3 1 989 266 266 LYS CB C 30.894 0.3 1 990 266 266 LYS N N 117.425 0.3 1 991 267 267 ASN H H 7.461 0.020 1 992 267 267 ASN CA C 51.578 0.3 1 993 267 267 ASN CB C 37.468 0.3 1 994 267 267 ASN N N 117.602 0.3 1 995 268 268 VAL H H 8.589 0.020 1 996 268 268 VAL HG1 H 0.958 0.020 1 997 268 268 VAL HG2 H 1.007 0.020 1 998 268 268 VAL CA C 64.839 0.3 1 999 268 268 VAL CB C 30.756 0.3 1 1000 268 268 VAL CG1 C 21.323 0.3 1 1001 268 268 VAL CG2 C 21.471 0.3 1 1002 268 268 VAL N N 122.478 0.3 1 1003 269 269 ASN H H 8.375 0.020 1 1004 269 269 ASN CA C 54.109 0.3 1 1005 269 269 ASN CB C 37.814 0.3 1 1006 269 269 ASN N N 117.119 0.3 1 1007 270 270 ALA H H 7.515 0.020 1 1008 270 270 ALA CA C 51.517 0.3 1 1009 270 270 ALA CB C 18.370 0.3 1 1010 270 270 ALA N N 120.771 0.3 1 1011 271 271 GLY H H 7.731 0.020 1 1012 271 271 GLY CA C 44.593 0.3 1 1013 271 271 GLY N N 107.019 0.3 1 1014 272 272 GLY H H 8.590 0.020 1 1015 272 272 GLY CA C 45.301 0.3 1 1016 272 272 GLY N N 109.424 0.3 1 1017 273 273 HIS H H 7.312 0.020 1 1018 273 273 HIS CA C 54.340 0.3 1 1019 273 273 HIS CB C 30.756 0.3 1 1020 273 273 HIS N N 120.951 0.3 1 1021 274 274 LYS H H 8.882 0.020 1 1022 274 274 LYS CA C 54.643 0.3 1 1023 274 274 LYS CB C 36.014 0.3 1 1024 274 274 LYS N N 119.617 0.3 1 1025 275 275 LEU H H 8.673 0.020 1 1026 275 275 LEU HD1 H 1.018 0.020 1 1027 275 275 LEU HD2 H 1.032 0.020 1 1028 275 275 LEU CA C 53.320 0.3 1 1029 275 275 LEU CB C 45.044 0.3 1 1030 275 275 LEU CD1 C 25.451 0.3 1 1031 275 275 LEU CD2 C 24.060 0.3 1 1032 275 275 LEU N N 121.571 0.3 1 1033 276 276 GLY H H 9.152 0.020 1 1034 276 276 GLY CA C 44.929 0.3 1 1035 276 276 GLY N N 111.352 0.3 1 1036 277 277 LEU H H 8.239 0.020 1 1037 277 277 LEU HD1 H 0.820 0.020 1 1038 277 277 LEU HD2 H 0.941 0.020 1 1039 277 277 LEU CA C 53.638 0.3 1 1040 277 277 LEU CB C 45.920 0.3 1 1041 277 277 LEU CD1 C 25.304 0.3 1 1042 277 277 LEU CD2 C 25.404 0.3 1 1043 277 277 LEU N N 121.181 0.3 1 1044 278 278 GLY H H 9.625 0.020 1 1045 278 278 GLY CA C 44.139 0.3 1 1046 278 278 GLY N N 116.208 0.3 1 1047 279 279 LEU H H 8.713 0.020 1 1048 279 279 LEU HD1 H 0.835 0.020 1 1049 279 279 LEU HD2 H 0.847 0.020 1 1050 279 279 LEU CA C 53.077 0.3 1 1051 279 279 LEU CB C 45.044 0.3 1 1052 279 279 LEU CD1 C 24.657 0.3 1 1053 279 279 LEU CD2 C 25.177 0.3 1 1054 279 279 LEU N N 124.900 0.3 1 1055 282 282 GLN H H 9.117 0.020 1 1056 282 282 GLN CA C 53.808 0.3 1 1057 282 282 GLN CB C 30.272 0.3 1 1058 282 282 GLN N N 125.151 0.3 1 1059 283 283 ALA H H 8.297 0.020 1 1060 283 283 ALA CA C 51.033 0.3 1 1061 283 283 ALA CB C 18.537 0.3 1 1062 283 283 ALA N N 126.513 0.3 1 stop_ save_