data_18095 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure of Lysine-specific demethylase lid from Drosophila melanogaster, Northeast Structural Genomics Consortium Target FR824D ; _BMRB_accession_number 18095 _BMRB_flat_file_name bmr18095.str _Entry_type original _Submission_date 2011-11-18 _Accession_date 2011-11-18 _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 Mills Jeffrey L. . 2 Lee Dan . . 3 Kohan Eitan . . 4 Sahdev Seema . . 5 Acton T. B. . 6 Xiao R. . . 7 Everett J. K. . 8 Montelione G. T. . 9 Szyperski Thomas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 636 "13C chemical shifts" 464 "15N chemical shifts" 112 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-12-01 original author . stop_ _Original_release_date 2011-12-01 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Northeast Structural Genomics Consortium Target FR824D' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mills Jeffrey L. . 2 Lee Dan . . 3 Kohan Eitan . . 4 Sahdev Seema . . 5 Acton T. B. . 6 Xiao R. . . 7 Everett J. K. . 8 Montelione G. T. . 9 Szyperski Thomas . . stop_ _Journal_abbreviation 'To be published' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name FR824D _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label FR824D $FR824D 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_FR824D _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FR824D _Molecular_mass 12493.614 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 107 _Mol_residue_sequence ; PRVQRLNELEAKTRVKLNFL DQIAKFWELQGSSLKIPMVE RKALDLYTLHRIVQEEGGME QTTKDRKWAKVANRMQYPSS KSVGATLKAHYERILHPFEV YTSGKVL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 214 PRO 2 215 ARG 3 216 VAL 4 217 GLN 5 218 ARG 6 219 LEU 7 220 ASN 8 221 GLU 9 222 LEU 10 223 GLU 11 224 ALA 12 225 LYS 13 226 THR 14 227 ARG 15 228 VAL 16 229 LYS 17 230 LEU 18 231 ASN 19 232 PHE 20 233 LEU 21 234 ASP 22 235 GLN 23 236 ILE 24 237 ALA 25 238 LYS 26 239 PHE 27 240 TRP 28 241 GLU 29 242 LEU 30 243 GLN 31 244 GLY 32 245 SER 33 246 SER 34 247 LEU 35 248 LYS 36 249 ILE 37 250 PRO 38 251 MET 39 252 VAL 40 253 GLU 41 254 ARG 42 255 LYS 43 256 ALA 44 257 LEU 45 258 ASP 46 259 LEU 47 260 TYR 48 261 THR 49 262 LEU 50 263 HIS 51 264 ARG 52 265 ILE 53 266 VAL 54 267 GLN 55 268 GLU 56 269 GLU 57 270 GLY 58 271 GLY 59 272 MET 60 273 GLU 61 274 GLN 62 275 THR 63 276 THR 64 277 LYS 65 278 ASP 66 279 ARG 67 280 LYS 68 281 TRP 69 282 ALA 70 283 LYS 71 284 VAL 72 285 ALA 73 286 ASN 74 287 ARG 75 288 MET 76 289 GLN 77 290 TYR 78 291 PRO 79 292 SER 80 293 SER 81 294 LYS 82 295 SER 83 296 VAL 84 297 GLY 85 298 ALA 86 299 THR 87 300 LEU 88 301 LYS 89 302 ALA 90 303 HIS 91 304 TYR 92 305 GLU 93 306 ARG 94 307 ILE 95 308 LEU 96 309 HIS 97 310 PRO 98 311 PHE 99 312 GLU 100 313 VAL 101 314 TYR 102 315 THR 103 316 SER 104 317 GLY 105 318 LYS 106 319 VAL 107 320 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 2LM1 "Solution Nmr Structure Of Lysine-Specific Demethylase Lid From Drosophila Melanogaster, Northeast Structural Genomics Consortiu" 100.00 107 100.00 100.00 2.92e-72 GB AAF52319 "little imaginal discs, isoform A [Drosophila melanogaster]" 100.00 1838 100.00 100.00 4.59e-65 GB AAM11379 "LD40310p [Drosophila melanogaster]" 100.00 1838 100.00 100.00 4.59e-65 GB AAN10569 "little imaginal discs, isoform B [Drosophila melanogaster]" 100.00 1838 100.00 100.00 4.59e-65 GB AFH03582 "little imaginal discs, isoform C [Drosophila melanogaster]" 100.00 1838 100.00 100.00 4.59e-65 GB AFH03583 "little imaginal discs, isoform D [Drosophila melanogaster]" 100.00 1838 100.00 100.00 4.59e-65 REF NP_001245908 "little imaginal discs, isoform C [Drosophila melanogaster]" 100.00 1838 100.00 100.00 4.59e-65 REF NP_001245909 "little imaginal discs, isoform D [Drosophila melanogaster]" 100.00 1838 100.00 100.00 4.59e-65 REF NP_001245910 "little imaginal discs, isoform E [Drosophila melanogaster]" 100.00 1838 100.00 100.00 4.59e-65 REF NP_001285649 "little imaginal discs, isoform F [Drosophila melanogaster]" 100.00 1838 100.00 100.00 4.59e-65 REF NP_523486 "little imaginal discs, isoform A [Drosophila melanogaster]" 100.00 1838 100.00 100.00 4.59e-65 SP Q9VMJ7 "RecName: Full=Lysine-specific demethylase lid; AltName: Full=Histone demethylase lid; AltName: Full=Jumonji/ARID domain-contain" 100.00 1838 100.00 100.00 4.59e-65 stop_ 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 $FR824D 'fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster lid 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 $FR824D 'recombinant technology' . Escherichia coli BL21(DE3)pMgK pET15Nano6HT_NESG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sampleNC _Saveframe_category sample _Sample_type solution _Details '1.2 mM [U-100% 13C; U-100% 15N] FR824D, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FR824D 1.1 mM '[U-100% 13C; U-100% 15N]' 'sodium chloride' 100 mM 'natural abundance' DTT 5 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' TRIS 10 mM 'natural abundance' stop_ save_ save_sampleNC5 _Saveframe_category sample _Sample_type solution _Details '1.3 mM [U-5% 13C; U-100% 15N] FR824D, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FR824D 1.3 mM '[U-5% 13C; U-100% 15N]' 'sodium chloride' 100 mM 'natural abundance' DTT 5 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' TRIS 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'refinemen,structure solution,geometry optimization' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'refinement,geometry optimization,structure solution' stop_ _Details . save_ save_AutoStructure _Saveframe_category software _Name AutoStruct _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Huang, Tejero, Powers and Montelione' . . stop_ loop_ _Task 'data analysis,refinement' stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'data analysis,chemical shift assignment' stop_ _Details . save_ save_PROSA _Saveframe_category software _Name PROSA _Version . loop_ _Vendor _Address _Electronic_address Guntert . . stop_ loop_ _Task processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'data analysis,peak picking,chemical shift assignment' stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_TALOS+ _Saveframe_category software _Name TALOS+ _Version . loop_ _Vendor _Address _Electronic_address 'Shen, Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sampleNC save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sampleNC save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sampleNC save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sampleNC save_ save_3D_HCCH-COSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sampleNC save_ save_3D_simutaneous_13C-aromatic,13C-aliphatic,15N_edited_1H-1H_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' _Sample_label $sampleNC save_ save_2D_1H-13C_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sampleNC5 save_ save_2D_1H-13C_HSQC_aliphatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sampleNC save_ save_2D_1H-13C_HSQC_aromatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sampleNC save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' stop_ loop_ _Sample_label $sampleNC stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name FR824D _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 1 214 1 PRO HA H 4.401 0.020 1 2 214 1 PRO HB2 H 2.307 0.020 2 3 214 1 PRO HB3 H 1.886 0.020 2 4 214 1 PRO HG2 H 2.015 0.020 2 5 214 1 PRO HG3 H 2.015 0.020 2 6 214 1 PRO HD2 H 3.767 0.020 2 7 214 1 PRO HD3 H 3.661 0.020 2 8 214 1 PRO C C 176.659 0.300 1 9 214 1 PRO CA C 63.172 0.300 1 10 214 1 PRO CB C 32.403 0.300 1 11 214 1 PRO CG C 27.623 0.300 1 12 214 1 PRO CD C 50.810 0.300 1 13 215 2 ARG H H 8.454 0.020 1 14 215 2 ARG HA H 4.317 0.020 1 15 215 2 ARG HB2 H 1.856 0.020 2 16 215 2 ARG HB3 H 1.782 0.020 2 17 215 2 ARG HG2 H 1.628 0.020 2 18 215 2 ARG HG3 H 1.628 0.020 2 19 215 2 ARG HD2 H 3.208 0.020 2 20 215 2 ARG HD3 H 1.598 0.020 2 21 215 2 ARG C C 176.613 0.300 1 22 215 2 ARG CA C 56.297 0.300 1 23 215 2 ARG CB C 30.757 0.300 1 24 215 2 ARG CG C 27.063 0.300 1 25 215 2 ARG CD C 43.387 0.300 1 26 215 2 ARG N N 121.645 0.300 1 27 216 3 VAL H H 8.260 0.020 1 28 216 3 VAL HA H 4.077 0.020 1 29 216 3 VAL HB H 2.034 0.020 1 30 216 3 VAL HG1 H 0.916 0.020 2 31 216 3 VAL HG2 H 0.916 0.020 2 32 216 3 VAL C C 175.995 0.300 1 33 216 3 VAL CA C 62.586 0.300 1 34 216 3 VAL CB C 32.944 0.300 1 35 216 3 VAL CG1 C 20.808 0.300 1 36 216 3 VAL N N 122.062 0.300 1 37 217 4 GLN H H 8.472 0.020 1 38 217 4 GLN HA H 4.313 0.020 1 39 217 4 GLN HB2 H 2.057 0.020 2 40 217 4 GLN HB3 H 1.982 0.020 2 41 217 4 GLN HG2 H 2.383 0.020 2 42 217 4 GLN HG3 H 2.383 0.020 2 43 217 4 GLN HE21 H 7.920 0.020 2 44 217 4 GLN HE22 H 6.790 0.020 2 45 217 4 GLN C C 175.875 0.300 1 46 217 4 GLN CA C 55.957 0.300 1 47 217 4 GLN CB C 29.771 0.300 1 48 217 4 GLN CG C 33.518 0.300 1 49 217 4 GLN N N 124.542 0.300 1 50 217 4 GLN NE2 N 114.031 0.300 1 51 218 5 ARG H H 8.433 0.020 1 52 218 5 ARG HA H 4.320 0.020 1 53 218 5 ARG HB2 H 1.850 0.020 2 54 218 5 ARG HB3 H 1.791 0.020 2 55 218 5 ARG HG2 H 1.625 0.020 2 56 218 5 ARG HG3 H 1.625 0.020 2 57 218 5 ARG HD2 H 3.208 0.020 2 58 218 5 ARG HD3 H 3.208 0.020 2 59 218 5 ARG C C 176.474 0.300 1 60 218 5 ARG CA C 56.180 0.300 1 61 218 5 ARG CB C 30.737 0.300 1 62 218 5 ARG CG C 27.063 0.300 1 63 218 5 ARG CD C 43.252 0.300 1 64 218 5 ARG N N 122.742 0.300 1 65 219 6 LEU H H 8.339 0.020 1 66 219 6 LEU HA H 4.299 0.020 1 67 219 6 LEU HB2 H 1.658 0.020 2 68 219 6 LEU HB3 H 1.591 0.020 2 69 219 6 LEU HG H 1.671 0.020 1 70 219 6 LEU HD1 H 0.924 0.020 2 71 219 6 LEU HD2 H 0.870 0.020 2 72 219 6 LEU C C 177.498 0.300 1 73 219 6 LEU CA C 56.018 0.300 1 74 219 6 LEU CB C 42.167 0.300 1 75 219 6 LEU CG C 27.148 0.300 1 76 219 6 LEU CD1 C 24.971 0.300 1 77 219 6 LEU CD2 C 23.669 0.300 1 78 219 6 LEU N N 123.164 0.300 1 79 220 7 ASN H H 8.541 0.020 1 80 220 7 ASN HA H 4.623 0.020 1 81 220 7 ASN HB2 H 2.860 0.020 2 82 220 7 ASN HB3 H 2.860 0.020 2 83 220 7 ASN HD21 H 7.654 0.020 2 84 220 7 ASN HD22 H 6.950 0.020 2 85 220 7 ASN C C 175.856 0.300 1 86 220 7 ASN CA C 53.804 0.300 1 87 220 7 ASN CB C 38.545 0.300 1 88 220 7 ASN N N 119.025 0.300 1 89 220 7 ASN ND2 N 112.636 0.300 1 90 221 8 GLU H H 8.380 0.020 1 91 221 8 GLU HA H 4.176 0.020 1 92 221 8 GLU HB2 H 2.058 0.020 2 93 221 8 GLU HB3 H 2.058 0.020 2 94 221 8 GLU HG2 H 2.273 0.020 2 95 221 8 GLU HG3 H 2.273 0.020 2 96 221 8 GLU C C 177.424 0.300 1 97 221 8 GLU CA C 58.212 0.300 1 98 221 8 GLU CB C 29.971 0.300 1 99 221 8 GLU CG C 36.335 0.300 1 100 221 8 GLU N N 121.112 0.300 1 101 222 9 LEU H H 8.114 0.020 1 102 222 9 LEU HA H 4.224 0.020 1 103 222 9 LEU HB2 H 1.742 0.020 2 104 222 9 LEU HB3 H 1.659 0.020 2 105 222 9 LEU HG H 1.206 0.020 1 106 222 9 LEU HD1 H 0.893 0.020 2 107 222 9 LEU HD2 H 0.873 0.020 2 108 222 9 LEU C C 178.770 0.300 1 109 222 9 LEU CA C 56.860 0.300 1 110 222 9 LEU CB C 42.070 0.300 1 111 222 9 LEU CG C 27.197 0.300 1 112 222 9 LEU CD1 C 24.635 0.300 1 113 222 9 LEU CD2 C 23.687 0.300 1 114 222 9 LEU N N 121.204 0.300 1 115 223 10 GLU H H 8.301 0.020 1 116 223 10 GLU HA H 4.164 0.020 1 117 223 10 GLU HB2 H 2.063 0.020 2 118 223 10 GLU HB3 H 2.063 0.020 2 119 223 10 GLU HG2 H 2.225 0.020 2 120 223 10 GLU HG3 H 2.225 0.020 2 121 223 10 GLU C C 177.894 0.300 1 122 223 10 GLU CA C 58.261 0.300 1 123 223 10 GLU CB C 29.909 0.300 1 124 223 10 GLU CG C 36.335 0.300 1 125 223 10 GLU N N 121.068 0.300 1 126 224 11 ALA H H 8.276 0.020 1 127 224 11 ALA HA H 4.136 0.020 1 128 224 11 ALA HB H 1.468 0.020 1 129 224 11 ALA C C 179.434 0.300 1 130 224 11 ALA CA C 54.749 0.300 1 131 224 11 ALA CB C 18.823 0.300 1 132 224 11 ALA N N 123.492 0.300 1 133 225 12 LYS H H 8.203 0.020 1 134 225 12 LYS HA H 4.151 0.020 1 135 225 12 LYS HB2 H 2.314 0.020 2 136 225 12 LYS HB3 H 2.034 0.020 2 137 225 12 LYS HG2 H 1.597 0.020 2 138 225 12 LYS HG3 H 1.497 0.020 2 139 225 12 LYS HD2 H 1.705 0.020 2 140 225 12 LYS HD3 H 1.705 0.020 2 141 225 12 LYS HE2 H 3.007 0.020 2 142 225 12 LYS HE3 H 3.007 0.020 2 143 225 12 LYS C C 178.448 0.300 1 144 225 12 LYS CA C 58.330 0.300 1 145 225 12 LYS CB C 32.392 0.300 1 146 225 12 LYS CG C 25.404 0.300 1 147 225 12 LYS CD C 28.962 0.300 1 148 225 12 LYS CE C 42.239 0.300 1 149 225 12 LYS N N 117.881 0.300 1 150 226 13 THR H H 7.959 0.020 1 151 226 13 THR HA H 4.003 0.020 1 152 226 13 THR HB H 4.299 0.020 1 153 226 13 THR HG2 H 1.261 0.020 1 154 226 13 THR C C 175.441 0.300 1 155 226 13 THR CA C 65.118 0.300 1 156 226 13 THR CB C 69.153 0.300 1 157 226 13 THR CG2 C 22.154 0.300 1 158 226 13 THR N N 115.404 0.300 1 159 227 14 ARG H H 8.145 0.020 1 160 227 14 ARG HA H 4.033 0.020 1 161 227 14 ARG HB2 H 1.923 0.020 2 162 227 14 ARG HB3 H 1.923 0.020 2 163 227 14 ARG HG2 H 1.709 0.020 2 164 227 14 ARG HG3 H 1.709 0.020 2 165 227 14 ARG HD2 H 3.208 0.020 2 166 227 14 ARG HD3 H 3.208 0.020 2 167 227 14 ARG C C 177.913 0.300 1 168 227 14 ARG CA C 58.826 0.300 1 169 227 14 ARG CB C 29.964 0.300 1 170 227 14 ARG CG C 27.137 0.300 1 171 227 14 ARG CD C 43.252 0.300 1 172 227 14 ARG N N 121.500 0.300 1 173 228 15 VAL H H 7.693 0.020 1 174 228 15 VAL HA H 3.789 0.020 1 175 228 15 VAL HB H 2.072 0.020 1 176 228 15 VAL HG1 H 1.069 0.020 2 177 228 15 VAL HG2 H 0.958 0.020 2 178 228 15 VAL C C 178.217 0.300 1 179 228 15 VAL CA C 65.835 0.300 1 180 228 15 VAL CB C 31.967 0.300 1 181 228 15 VAL CG1 C 22.007 0.300 1 182 228 15 VAL CG2 C 21.028 0.300 1 183 228 15 VAL N N 118.424 0.300 1 184 229 16 LYS H H 7.452 0.020 1 185 229 16 LYS HA H 3.388 0.020 1 186 229 16 LYS HB2 H 1.752 0.020 2 187 229 16 LYS HB3 H 1.479 0.020 2 188 229 16 LYS HG2 H 1.192 0.020 2 189 229 16 LYS HG3 H 0.924 0.020 2 190 229 16 LYS HD2 H 1.674 0.020 2 191 229 16 LYS HD3 H 1.674 0.020 2 192 229 16 LYS HE2 H 3.010 0.020 2 193 229 16 LYS HE3 H 3.010 0.020 2 194 229 16 LYS C C 177.968 0.300 1 195 229 16 LYS CA C 59.579 0.300 1 196 229 16 LYS CB C 32.353 0.300 1 197 229 16 LYS CG C 25.009 0.300 1 198 229 16 LYS CD C 29.786 0.300 1 199 229 16 LYS CE C 42.001 0.300 1 200 229 16 LYS N N 121.690 0.300 1 201 230 17 LEU H H 8.124 0.020 1 202 230 17 LEU HA H 4.081 0.020 1 203 230 17 LEU HB2 H 1.965 0.020 1 204 230 17 LEU HB3 H 1.590 0.020 1 205 230 17 LEU HG H 2.066 0.020 1 206 230 17 LEU HD1 H 1.031 0.020 2 207 230 17 LEU HD2 H 1.070 0.020 2 208 230 17 LEU C C 179.711 0.300 1 209 230 17 LEU CA C 57.723 0.300 1 210 230 17 LEU CB C 41.559 0.300 1 211 230 17 LEU CG C 27.063 0.300 1 212 230 17 LEU CD1 C 25.224 0.300 1 213 230 17 LEU CD2 C 22.942 0.300 1 214 230 17 LEU N N 118.811 0.300 1 215 231 18 ASN H H 8.471 0.020 1 216 231 18 ASN HA H 4.541 0.020 1 217 231 18 ASN HB2 H 2.941 0.020 2 218 231 18 ASN HB3 H 2.889 0.020 2 219 231 18 ASN HD21 H 7.817 0.020 2 220 231 18 ASN HD22 H 6.989 0.020 2 221 231 18 ASN C C 177.175 0.300 1 222 231 18 ASN CA C 55.957 0.300 1 223 231 18 ASN CB C 38.407 0.300 1 224 231 18 ASN N N 118.210 0.300 1 225 231 18 ASN ND2 N 112.219 0.300 1 226 232 19 PHE H H 7.995 0.020 1 227 232 19 PHE HA H 4.276 0.020 1 228 232 19 PHE HB2 H 3.409 0.020 2 229 232 19 PHE HB3 H 3.369 0.020 2 230 232 19 PHE HD1 H 7.250 0.020 1 231 232 19 PHE HD2 H 7.250 0.020 1 232 232 19 PHE C C 176.078 0.300 1 233 232 19 PHE CA C 61.899 0.300 1 234 232 19 PHE CB C 39.803 0.300 1 235 232 19 PHE CD1 C 131.976 0.300 1 236 232 19 PHE N N 121.787 0.300 1 237 233 20 LEU H H 8.301 0.020 1 238 233 20 LEU HA H 4.062 0.020 1 239 233 20 LEU HB2 H 1.735 0.020 2 240 233 20 LEU HB3 H 1.525 0.020 2 241 233 20 LEU C C 177.802 0.300 1 242 233 20 LEU CA C 57.447 0.300 1 243 233 20 LEU CB C 41.709 0.300 1 244 233 20 LEU CG C 26.990 0.300 1 245 233 20 LEU CD1 C 24.802 0.300 1 246 233 20 LEU CD2 C 23.257 0.300 1 247 233 20 LEU N N 118.634 0.300 1 248 234 21 ASP H H 8.186 0.020 1 249 234 21 ASP HA H 4.431 0.020 1 250 234 21 ASP HB2 H 2.854 0.020 2 251 234 21 ASP HB3 H 2.742 0.020 2 252 234 21 ASP C C 178.595 0.300 1 253 234 21 ASP CA C 57.505 0.300 1 254 234 21 ASP CB C 41.507 0.300 1 255 234 21 ASP N N 119.355 0.300 1 256 235 22 GLN H H 7.985 0.020 1 257 235 22 GLN HA H 4.029 0.020 1 258 235 22 GLN HB2 H 2.176 0.020 2 259 235 22 GLN HB3 H 2.176 0.020 2 260 235 22 GLN HG2 H 2.671 0.020 2 261 235 22 GLN HG3 H 2.511 0.020 2 262 235 22 GLN HE21 H 7.435 0.020 1 263 235 22 GLN HE22 H 6.991 0.020 1 264 235 22 GLN C C 178.752 0.300 1 265 235 22 GLN CA C 59.066 0.300 1 266 235 22 GLN CB C 28.658 0.300 1 267 235 22 GLN CG C 34.593 0.300 1 268 235 22 GLN N N 118.273 0.300 1 269 235 22 GLN NE2 N 111.585 0.300 1 270 236 23 ILE H H 7.969 0.020 1 271 236 23 ILE HA H 3.302 0.020 1 272 236 23 ILE HB H 1.016 0.020 1 273 236 23 ILE HG12 H 0.727 0.020 2 274 236 23 ILE HG13 H 0.524 0.020 2 275 236 23 ILE HG2 H 0.664 0.020 1 276 236 23 ILE HD1 H 0.232 0.020 1 277 236 23 ILE C C 177.378 0.300 1 278 236 23 ILE CA C 63.905 0.300 1 279 236 23 ILE CB C 36.807 0.300 1 280 236 23 ILE CG1 C 28.468 0.300 1 281 236 23 ILE CG2 C 17.973 0.300 1 282 236 23 ILE CD1 C 13.575 0.300 1 283 236 23 ILE N N 119.891 0.300 1 284 237 24 ALA H H 8.202 0.020 1 285 237 24 ALA HA H 4.187 0.020 1 286 237 24 ALA HB H 1.606 0.020 1 287 237 24 ALA C C 180.799 0.300 1 288 237 24 ALA CA C 55.957 0.300 1 289 237 24 ALA CB C 18.126 0.300 1 290 237 24 ALA N N 124.290 0.300 1 291 238 25 LYS H H 8.264 0.020 1 292 238 25 LYS HA H 4.042 0.020 1 293 238 25 LYS HB2 H 1.949 0.020 2 294 238 25 LYS HB3 H 1.949 0.020 2 295 238 25 LYS HG2 H 1.696 0.020 2 296 238 25 LYS HG3 H 1.696 0.020 2 297 238 25 LYS C C 179.388 0.300 1 298 238 25 LYS CA C 58.992 0.300 1 299 238 25 LYS CB C 32.298 0.300 1 300 238 25 LYS CG C 28.514 0.300 1 301 238 25 LYS CD C 25.169 0.300 1 302 238 25 LYS CE C 41.165 0.300 1 303 238 25 LYS N N 119.241 0.300 1 304 239 26 PHE H H 7.962 0.020 1 305 239 26 PHE HA H 3.991 0.020 1 306 239 26 PHE HB2 H 3.193 0.020 2 307 239 26 PHE HB3 H 3.060 0.020 2 308 239 26 PHE HD1 H 5.996 0.020 1 309 239 26 PHE HD2 H 5.996 0.020 1 310 239 26 PHE C C 177.083 0.300 1 311 239 26 PHE CA C 61.034 0.300 1 312 239 26 PHE CB C 38.849 0.300 1 313 239 26 PHE CD1 C 131.269 0.300 1 314 239 26 PHE N N 119.889 0.300 1 315 240 27 TRP H H 7.941 0.020 1 316 240 27 TRP HA H 4.010 0.020 1 317 240 27 TRP HB2 H 2.920 0.020 1 318 240 27 TRP HB3 H 3.402 0.020 1 319 240 27 TRP HD1 H 7.305 0.020 1 320 240 27 TRP HE1 H 10.159 0.020 1 321 240 27 TRP HZ2 H 7.935 0.020 1 322 240 27 TRP HZ3 H 7.197 0.020 1 323 240 27 TRP HH2 H 7.473 0.020 1 324 240 27 TRP C C 178.761 0.300 1 325 240 27 TRP CA C 60.877 0.300 1 326 240 27 TRP CB C 28.500 0.300 1 327 240 27 TRP CD1 C 126.289 0.300 1 328 240 27 TRP CZ2 C 115.493 0.300 1 329 240 27 TRP CZ3 C 122.536 0.300 1 330 240 27 TRP CH2 C 124.932 0.300 1 331 240 27 TRP N N 119.408 0.300 1 332 240 27 TRP NE1 N 124.381 0.300 1 333 241 28 GLU H H 8.270 0.020 1 334 241 28 GLU HA H 4.186 0.020 1 335 241 28 GLU HB2 H 2.159 0.020 2 336 241 28 GLU HB3 H 2.159 0.020 2 337 241 28 GLU HG2 H 2.437 0.020 2 338 241 28 GLU HG3 H 2.437 0.020 2 339 241 28 GLU C C 181.187 0.300 1 340 241 28 GLU CA C 59.542 0.300 1 341 241 28 GLU CB C 29.578 0.300 1 342 241 28 GLU CG C 36.370 0.300 1 343 241 28 GLU N N 121.346 0.300 1 344 242 29 LEU H H 7.992 0.020 1 345 242 29 LEU HA H 4.062 0.020 1 346 242 29 LEU HB2 H 1.717 0.020 2 347 242 29 LEU HB3 H 1.532 0.020 2 348 242 29 LEU HD1 H 0.862 0.020 2 349 242 29 LEU HD2 H 0.825 0.020 2 350 242 29 LEU C C 178.724 0.300 1 351 242 29 LEU CA C 57.447 0.300 1 352 242 29 LEU CB C 41.423 0.300 1 353 242 29 LEU CG C 26.598 0.300 1 354 242 29 LEU CD1 C 24.937 0.300 1 355 242 29 LEU CD2 C 23.663 0.300 1 356 242 29 LEU N N 122.138 0.300 1 357 243 30 GLN H H 7.284 0.020 1 358 243 30 GLN HA H 4.084 0.020 1 359 243 30 GLN HB2 H 1.857 0.020 1 360 243 30 GLN HB3 H 2.263 0.020 1 361 243 30 GLN HG2 H 1.421 0.020 2 362 243 30 GLN HG3 H 1.243 0.020 2 363 243 30 GLN HE21 H 6.363 0.020 2 364 243 30 GLN HE22 H 5.721 0.020 2 365 243 30 GLN C C 176.566 0.300 1 366 243 30 GLN CA C 54.743 0.300 1 367 243 30 GLN CB C 28.419 0.300 1 368 243 30 GLN CG C 32.827 0.300 1 369 243 30 GLN N N 114.935 0.300 1 370 243 30 GLN NE2 N 112.984 0.300 1 371 244 31 GLY H H 7.880 0.020 1 372 244 31 GLY HA2 H 4.254 0.020 2 373 244 31 GLY HA3 H 3.811 0.020 2 374 244 31 GLY C C 174.261 0.300 1 375 244 31 GLY CA C 45.416 0.300 1 376 244 31 GLY N N 106.984 0.300 1 377 245 32 SER H H 7.967 0.020 1 378 245 32 SER HA H 4.748 0.020 1 379 245 32 SER HB2 H 3.826 0.020 2 380 245 32 SER HB3 H 3.774 0.020 2 381 245 32 SER C C 172.785 0.300 1 382 245 32 SER CA C 55.630 0.300 1 383 245 32 SER CB C 64.455 0.300 1 384 245 32 SER N N 115.512 0.300 1 385 246 33 SER H H 8.366 0.020 1 386 246 33 SER HA H 4.401 0.020 1 387 246 33 SER HB2 H 3.819 0.020 2 388 246 33 SER HB3 H 3.679 0.020 2 389 246 33 SER C C 173.735 0.300 1 390 246 33 SER CA C 58.054 0.300 1 391 246 33 SER CB C 64.069 0.300 1 392 246 33 SER N N 115.591 0.300 1 393 247 34 LEU H H 9.053 0.020 1 394 247 34 LEU HA H 3.959 0.020 1 395 247 34 LEU HB2 H 1.929 0.020 1 396 247 34 LEU HB3 H 1.261 0.020 1 397 247 34 LEU HG H 1.000 0.020 1 398 247 34 LEU HD1 H 0.824 0.020 2 399 247 34 LEU HD2 H 0.646 0.020 2 400 247 34 LEU C C 175.285 0.300 1 401 247 34 LEU CA C 55.582 0.300 1 402 247 34 LEU CB C 42.936 0.300 1 403 247 34 LEU CG C 26.842 0.300 1 404 247 34 LEU CD1 C 23.397 0.300 1 405 247 34 LEU CD2 C 23.666 0.300 1 406 247 34 LEU N N 125.274 0.300 1 407 248 35 LYS H H 8.121 0.020 1 408 248 35 LYS HA H 4.468 0.020 1 409 248 35 LYS HB2 H 1.580 0.020 2 410 248 35 LYS HB3 H 1.530 0.020 2 411 248 35 LYS HG2 H 1.188 0.020 2 412 248 35 LYS HG3 H 1.188 0.020 2 413 248 35 LYS HD2 H 1.565 0.020 2 414 248 35 LYS HD3 H 1.565 0.020 2 415 248 35 LYS HE2 H 2.902 0.020 2 416 248 35 LYS HE3 H 2.902 0.020 2 417 248 35 LYS C C 175.202 0.300 1 418 248 35 LYS CA C 54.318 0.300 1 419 248 35 LYS CB C 33.226 0.300 1 420 248 35 LYS CG C 24.539 0.300 1 421 248 35 LYS CD C 28.885 0.300 1 422 248 35 LYS CE C 42.277 0.300 1 423 248 35 LYS N N 129.804 0.300 1 424 249 36 ILE H H 8.674 0.020 1 425 249 36 ILE HA H 3.991 0.020 1 426 249 36 ILE HB H 1.864 0.020 1 427 249 36 ILE HG12 H 1.134 0.020 1 428 249 36 ILE HG13 H 1.622 0.020 1 429 249 36 ILE HG2 H 1.097 0.020 1 430 249 36 ILE HD1 H 0.918 0.020 1 431 249 36 ILE CA C 59.083 0.300 1 432 249 36 ILE CB C 37.635 0.300 1 433 249 36 ILE CG1 C 28.156 0.300 1 434 249 36 ILE CG2 C 18.047 0.300 1 435 249 36 ILE CD1 C 12.251 0.300 1 436 249 36 ILE N N 126.783 0.300 1 437 250 37 PRO HA H 4.372 0.020 1 438 250 37 PRO HB2 H 1.820 0.020 1 439 250 37 PRO HB3 H 1.215 0.020 1 440 250 37 PRO HG2 H 1.062 0.020 2 441 250 37 PRO HG3 H 1.062 0.020 2 442 250 37 PRO HD2 H 3.945 0.020 2 443 250 37 PRO HD3 H 3.263 0.020 2 444 250 37 PRO C C 174.538 0.300 1 445 250 37 PRO CA C 62.193 0.300 1 446 250 37 PRO CB C 32.576 0.300 1 447 250 37 PRO CG C 26.316 0.300 1 448 250 37 PRO CD C 50.351 0.300 1 449 251 38 MET H H 8.299 0.020 1 450 251 38 MET HA H 4.763 0.020 1 451 251 38 MET HB2 H 1.938 0.020 1 452 251 38 MET HB3 H 1.548 0.020 1 453 251 38 MET HG2 H 2.504 0.020 2 454 251 38 MET HG3 H 2.504 0.020 2 455 251 38 MET HE H 2.301 0.020 1 456 251 38 MET C C 176.686 0.300 1 457 251 38 MET CA C 53.694 0.300 1 458 251 38 MET CB C 33.330 0.300 1 459 251 38 MET CG C 31.626 0.300 1 460 251 38 MET CE C 17.536 0.300 1 461 251 38 MET N N 117.438 0.300 1 462 252 39 VAL H H 8.914 0.020 1 463 252 39 VAL HA H 4.195 0.020 1 464 252 39 VAL HB H 1.972 0.020 1 465 252 39 VAL HG1 H 0.576 0.020 1 466 252 39 VAL HG2 H 0.837 0.020 1 467 252 39 VAL C C 175.266 0.300 1 468 252 39 VAL CA C 61.806 0.300 1 469 252 39 VAL CB C 34.563 0.300 1 470 252 39 VAL CG1 C 21.009 0.300 1 471 252 39 VAL CG2 C 22.770 0.300 1 472 252 39 VAL N N 124.530 0.300 1 473 253 40 GLU H H 9.482 0.020 1 474 253 40 GLU HA H 3.767 0.020 1 475 253 40 GLU HB2 H 2.388 0.020 1 476 253 40 GLU HB3 H 2.159 0.020 1 477 253 40 GLU HG2 H 2.282 0.020 2 478 253 40 GLU HG3 H 2.105 0.020 2 479 253 40 GLU C C 175.414 0.300 1 480 253 40 GLU CA C 57.355 0.300 1 481 253 40 GLU CB C 27.203 0.300 1 482 253 40 GLU CG C 36.550 0.300 1 483 253 40 GLU N N 126.297 0.300 1 484 254 41 ARG H H 8.651 0.020 1 485 254 41 ARG HA H 3.707 0.020 1 486 254 41 ARG HB2 H 2.184 0.020 2 487 254 41 ARG HB3 H 2.055 0.020 2 488 254 41 ARG C C 174.777 0.300 1 489 254 41 ARG CA C 58.105 0.300 1 490 254 41 ARG CB C 27.337 0.300 1 491 254 41 ARG CG C 28.093 0.300 1 492 254 41 ARG CD C 43.089 0.300 1 493 254 41 ARG N N 107.598 0.300 1 494 255 42 LYS H H 7.718 0.020 1 495 255 42 LYS HA H 4.674 0.020 1 496 255 42 LYS HB2 H 1.905 0.020 2 497 255 42 LYS HB3 H 1.798 0.020 2 498 255 42 LYS HG2 H 1.513 0.020 2 499 255 42 LYS HG3 H 1.513 0.020 2 500 255 42 LYS HD2 H 1.563 0.020 2 501 255 42 LYS HD3 H 1.563 0.020 2 502 255 42 LYS HE2 H 2.905 0.020 2 503 255 42 LYS HE3 H 2.905 0.020 2 504 255 42 LYS C C 175.146 0.300 1 505 255 42 LYS CA C 54.743 0.300 1 506 255 42 LYS CB C 36.392 0.300 1 507 255 42 LYS CG C 24.967 0.300 1 508 255 42 LYS CD C 28.962 0.300 1 509 255 42 LYS CE C 42.004 0.300 1 510 255 42 LYS N N 118.768 0.300 1 511 256 43 ALA H H 8.762 0.020 1 512 256 43 ALA HA H 4.321 0.020 1 513 256 43 ALA HB H 1.261 0.020 1 514 256 43 ALA C C 178.604 0.300 1 515 256 43 ALA CA C 53.341 0.300 1 516 256 43 ALA CB C 18.347 0.300 1 517 256 43 ALA N N 126.745 0.300 1 518 257 44 LEU H H 8.397 0.020 1 519 257 44 LEU HA H 4.180 0.020 1 520 257 44 LEU HB2 H 1.149 0.020 1 521 257 44 LEU HB3 H 1.684 0.020 1 522 257 44 LEU HD1 H 0.810 0.020 2 523 257 44 LEU HD2 H 0.701 0.020 2 524 257 44 LEU C C 175.146 0.300 1 525 257 44 LEU CA C 55.245 0.300 1 526 257 44 LEU CB C 43.351 0.300 1 527 257 44 LEU CG C 26.842 0.300 1 528 257 44 LEU CD1 C 26.582 0.300 1 529 257 44 LEU CD2 C 26.324 0.300 1 530 257 44 LEU N N 125.939 0.300 1 531 258 45 ASP H H 8.766 0.020 1 532 258 45 ASP HA H 4.755 0.020 1 533 258 45 ASP HB2 H 2.735 0.020 1 534 258 45 ASP HB3 H 3.099 0.020 1 535 258 45 ASP C C 175.478 0.300 1 536 258 45 ASP CA C 52.370 0.300 1 537 258 45 ASP CB C 39.456 0.300 1 538 258 45 ASP N N 126.703 0.300 1 539 259 46 LEU H H 8.116 0.020 1 540 259 46 LEU HA H 3.981 0.020 1 541 259 46 LEU HB2 H 1.968 0.020 2 542 259 46 LEU HB3 H 1.577 0.020 2 543 259 46 LEU HD1 H 1.002 0.020 1 544 259 46 LEU HD2 H 0.812 0.020 1 545 259 46 LEU C C 177.894 0.300 1 546 259 46 LEU CA C 57.778 0.300 1 547 259 46 LEU CB C 43.209 0.300 1 548 259 46 LEU CG C 27.284 0.300 1 549 259 46 LEU CD1 C 27.140 0.300 1 550 259 46 LEU CD2 C 23.281 0.300 1 551 259 46 LEU N N 125.336 0.300 1 552 260 47 TYR H H 8.477 0.020 1 553 260 47 TYR HA H 3.682 0.020 1 554 260 47 TYR HB2 H 3.116 0.020 2 555 260 47 TYR HB3 H 3.015 0.020 2 556 260 47 TYR HD1 H 6.739 0.020 1 557 260 47 TYR HD2 H 6.739 0.020 1 558 260 47 TYR HE1 H 6.700 0.020 1 559 260 47 TYR HE2 H 6.700 0.020 1 560 260 47 TYR C C 176.631 0.300 1 561 260 47 TYR CA C 61.747 0.300 1 562 260 47 TYR CB C 38.406 0.300 1 563 260 47 TYR CD1 C 132.990 0.300 1 564 260 47 TYR CE1 C 118.138 0.300 1 565 260 47 TYR N N 117.813 0.300 1 566 261 48 THR H H 7.916 0.020 1 567 261 48 THR HA H 3.827 0.020 1 568 261 48 THR HB H 3.550 0.020 1 569 261 48 THR HG2 H 1.306 0.020 1 570 261 48 THR C C 175.146 0.300 1 571 261 48 THR CA C 67.637 0.300 1 572 261 48 THR CB C 67.215 0.300 1 573 261 48 THR CG2 C 22.835 0.300 1 574 261 48 THR N N 118.866 0.300 1 575 262 49 LEU H H 8.140 0.020 1 576 262 49 LEU HA H 4.379 0.020 1 577 262 49 LEU HB2 H 1.569 0.020 1 578 262 49 LEU HB3 H 2.108 0.020 1 579 262 49 LEU C C 177.009 0.300 1 580 262 49 LEU CA C 58.716 0.300 1 581 262 49 LEU CB C 42.050 0.300 1 582 262 49 LEU CG C 28.829 0.300 1 583 262 49 LEU N N 120.913 0.300 1 584 263 50 HIS H H 8.079 0.020 1 585 263 50 HIS HA H 4.489 0.020 1 586 263 50 HIS HB2 H 3.263 0.020 1 587 263 50 HIS HB3 H 3.128 0.020 1 588 263 50 HIS HD2 H 6.599 0.020 1 589 263 50 HIS C C 176.640 0.300 1 590 263 50 HIS CA C 60.910 0.300 1 591 263 50 HIS CB C 30.350 0.300 1 592 263 50 HIS CD2 C 129.378 0.300 1 593 263 50 HIS N N 116.373 0.300 1 594 264 51 ARG H H 8.242 0.020 1 595 264 51 ARG HA H 3.564 0.020 1 596 264 51 ARG HB2 H 1.480 0.020 1 597 264 51 ARG HB3 H 1.713 0.020 1 598 264 51 ARG HG2 H 1.410 0.020 2 599 264 51 ARG HG3 H 1.288 0.020 2 600 264 51 ARG HD2 H 3.093 0.020 2 601 264 51 ARG HD3 H 2.944 0.020 2 602 264 51 ARG C C 179.305 0.300 1 603 264 51 ARG CA C 59.263 0.300 1 604 264 51 ARG CB C 29.798 0.300 1 605 264 51 ARG CG C 26.755 0.300 1 606 264 51 ARG CD C 42.929 0.300 1 607 264 51 ARG N N 119.190 0.300 1 608 265 52 ILE H H 8.680 0.020 1 609 265 52 ILE HA H 3.510 0.020 1 610 265 52 ILE HB H 1.879 0.020 1 611 265 52 ILE HG12 H 1.647 0.020 1 612 265 52 ILE HG13 H 1.062 0.020 1 613 265 52 ILE HG2 H 0.871 0.020 1 614 265 52 ILE HD1 H 0.720 0.020 1 615 265 52 ILE C C 177.802 0.300 1 616 265 52 ILE CA C 64.922 0.300 1 617 265 52 ILE CB C 37.464 0.300 1 618 265 52 ILE CG1 C 29.368 0.300 1 619 265 52 ILE CG2 C 19.199 0.300 1 620 265 52 ILE CD1 C 13.846 0.300 1 621 265 52 ILE N N 119.519 0.300 1 622 266 53 VAL H H 8.173 0.020 1 623 266 53 VAL HA H 3.055 0.020 1 624 266 53 VAL HB H 2.105 0.020 1 625 266 53 VAL HG1 H 0.164 0.020 1 626 266 53 VAL HG2 H 0.843 0.020 1 627 266 53 VAL C C 179.158 0.300 1 628 266 53 VAL CA C 66.994 0.300 1 629 266 53 VAL CB C 30.737 0.300 1 630 266 53 VAL CG1 C 19.430 0.300 1 631 266 53 VAL CG2 C 26.171 0.300 1 632 266 53 VAL N N 119.176 0.300 1 633 267 54 GLN H H 8.205 0.020 1 634 267 54 GLN HA H 3.680 0.020 1 635 267 54 GLN HB2 H 2.001 0.020 2 636 267 54 GLN HB3 H 2.001 0.020 2 637 267 54 GLN HG2 H 2.356 0.020 2 638 267 54 GLN HG3 H 2.356 0.020 2 639 267 54 GLN HE21 H 7.585 0.020 2 640 267 54 GLN HE22 H 6.875 0.020 2 641 267 54 GLN C C 176.622 0.300 1 642 267 54 GLN CA C 59.044 0.300 1 643 267 54 GLN CB C 27.370 0.300 1 644 267 54 GLN CG C 32.035 0.300 1 645 267 54 GLN N N 118.481 0.300 1 646 267 54 GLN NE2 N 112.080 0.300 1 647 268 55 GLU H H 8.096 0.020 1 648 268 55 GLU HA H 3.915 0.020 1 649 268 55 GLU HB2 H 2.233 0.020 2 650 268 55 GLU HB3 H 2.041 0.020 2 651 268 55 GLU HG2 H 2.540 0.020 2 652 268 55 GLU HG3 H 2.207 0.020 2 653 268 55 GLU C C 178.687 0.300 1 654 268 55 GLU CA C 59.541 0.300 1 655 268 55 GLU CB C 29.541 0.300 1 656 268 55 GLU CG C 36.717 0.300 1 657 268 55 GLU N N 122.392 0.300 1 658 269 56 GLU H H 7.553 0.020 1 659 269 56 GLU HA H 4.172 0.020 1 660 269 56 GLU HB2 H 1.867 0.020 2 661 269 56 GLU HB3 H 1.676 0.020 2 662 269 56 GLU HG2 H 2.377 0.020 2 663 269 56 GLU HG3 H 2.377 0.020 2 664 269 56 GLU C C 175.617 0.300 1 665 269 56 GLU CA C 55.508 0.300 1 666 269 56 GLU CB C 28.751 0.300 1 667 269 56 GLU CG C 34.962 0.300 1 668 269 56 GLU N N 116.107 0.300 1 669 270 57 GLY H H 7.465 0.020 1 670 270 57 GLY HA2 H 3.586 0.020 1 671 270 57 GLY HA3 H 4.382 0.020 1 672 270 57 GLY C C 175.091 0.300 1 673 270 57 GLY CA C 44.657 0.300 1 674 270 57 GLY N N 104.662 0.300 1 675 271 58 GLY H H 8.552 0.020 1 676 271 58 GLY HA2 H 4.630 0.020 2 677 271 58 GLY HA3 H 3.398 0.020 2 678 271 58 GLY C C 174.224 0.300 1 679 271 58 GLY CA C 43.366 0.300 1 680 271 58 GLY N N 109.997 0.300 1 681 272 59 MET H H 9.315 0.020 1 682 272 59 MET HA H 3.193 0.020 1 683 272 59 MET HB2 H 2.056 0.020 2 684 272 59 MET HB3 H 2.056 0.020 2 685 272 59 MET HE H 1.660 0.020 1 686 272 59 MET C C 176.972 0.300 1 687 272 59 MET CA C 60.454 0.300 1 688 272 59 MET CB C 33.272 0.300 1 689 272 59 MET CE C 16.291 0.300 1 690 272 59 MET N N 122.785 0.300 1 691 273 60 GLU H H 8.965 0.020 1 692 273 60 GLU HA H 3.996 0.020 1 693 273 60 GLU HB2 H 2.043 0.020 2 694 273 60 GLU HB3 H 1.960 0.020 2 695 273 60 GLU HG2 H 2.308 0.020 2 696 273 60 GLU HG3 H 2.308 0.020 2 697 273 60 GLU C C 179.462 0.300 1 698 273 60 GLU CA C 60.317 0.300 1 699 273 60 GLU CB C 28.529 0.300 1 700 273 60 GLU CG C 36.854 0.300 1 701 273 60 GLU N N 117.923 0.300 1 702 274 61 GLN H H 8.502 0.020 1 703 274 61 GLN HA H 3.715 0.020 1 704 274 61 GLN HB2 H 1.968 0.020 2 705 274 61 GLN HB3 H 1.658 0.020 2 706 274 61 GLN HG2 H 2.385 0.020 2 707 274 61 GLN HG3 H 2.385 0.020 2 708 274 61 GLN HE21 H 7.210 0.020 2 709 274 61 GLN HE22 H 6.830 0.020 2 710 274 61 GLN C C 177.590 0.300 1 711 274 61 GLN CA C 58.606 0.300 1 712 274 61 GLN CB C 28.441 0.300 1 713 274 61 GLN CG C 33.541 0.300 1 714 274 61 GLN N N 120.947 0.300 1 715 274 61 GLN NE2 N 114.941 0.300 1 716 275 62 THR H H 7.837 0.020 1 717 275 62 THR HA H 3.426 0.020 1 718 275 62 THR HB H 3.417 0.020 1 719 275 62 THR HG2 H -0.973 0.020 1 720 275 62 THR C C 176.714 0.300 1 721 275 62 THR CA C 67.372 0.300 1 722 275 62 THR CB C 66.884 0.300 1 723 275 62 THR CG2 C 18.559 0.300 1 724 275 62 THR N N 116.860 0.300 1 725 276 63 THR H H 8.300 0.020 1 726 276 63 THR HA H 4.239 0.020 1 727 276 63 THR HB H 4.403 0.020 1 728 276 63 THR HG2 H 1.328 0.020 1 729 276 63 THR C C 177.904 0.300 1 730 276 63 THR CA C 66.534 0.300 1 731 276 63 THR CB C 68.755 0.300 1 732 276 63 THR CG2 C 22.864 0.300 1 733 276 63 THR N N 118.811 0.300 1 734 277 64 LYS H H 8.894 0.020 1 735 277 64 LYS HA H 3.974 0.020 1 736 277 64 LYS HB2 H 1.886 0.020 2 737 277 64 LYS HB3 H 1.802 0.020 2 738 277 64 LYS HG2 H 1.452 0.020 2 739 277 64 LYS HG3 H 1.452 0.020 2 740 277 64 LYS HD2 H 1.705 0.020 2 741 277 64 LYS HD3 H 1.705 0.020 2 742 277 64 LYS HE2 H 3.023 0.020 2 743 277 64 LYS HE3 H 3.023 0.020 2 744 277 64 LYS C C 177.894 0.300 1 745 277 64 LYS CA C 60.096 0.300 1 746 277 64 LYS CB C 32.613 0.300 1 747 277 64 LYS CG C 24.966 0.300 1 748 277 64 LYS CD C 28.962 0.300 1 749 277 64 LYS CE C 41.984 0.300 1 750 277 64 LYS N N 125.636 0.300 1 751 278 65 ASP H H 8.205 0.020 1 752 278 65 ASP HA H 4.726 0.020 1 753 278 65 ASP HB2 H 2.520 0.020 1 754 278 65 ASP HB3 H 2.823 0.020 1 755 278 65 ASP C C 174.602 0.300 1 756 278 65 ASP CA C 54.301 0.300 1 757 278 65 ASP CB C 40.229 0.300 1 758 278 65 ASP N N 115.675 0.300 1 759 279 66 ARG H H 7.860 0.020 1 760 279 66 ARG HA H 4.261 0.020 1 761 279 66 ARG HB2 H 2.166 0.020 2 762 279 66 ARG HB3 H 1.986 0.020 2 763 279 66 ARG C C 177.479 0.300 1 764 279 66 ARG CA C 57.171 0.300 1 765 279 66 ARG CB C 26.583 0.300 1 766 279 66 ARG N N 117.481 0.300 1 767 280 67 LYS H H 8.639 0.020 1 768 280 67 LYS HA H 4.763 0.020 1 769 280 67 LYS HB2 H 1.844 0.020 2 770 280 67 LYS HB3 H 1.584 0.020 2 771 280 67 LYS HG2 H 1.285 0.020 2 772 280 67 LYS HG3 H 1.285 0.020 2 773 280 67 LYS HD2 H 1.672 0.020 2 774 280 67 LYS HD3 H 1.672 0.020 2 775 280 67 LYS HE2 H 2.950 0.020 2 776 280 67 LYS HE3 H 2.950 0.020 2 777 280 67 LYS C C 177.064 0.300 1 778 280 67 LYS CA C 55.736 0.300 1 779 280 67 LYS CB C 33.772 0.300 1 780 280 67 LYS CG C 24.206 0.300 1 781 280 67 LYS CD C 28.797 0.300 1 782 280 67 LYS CE C 41.935 0.300 1 783 280 67 LYS N N 114.580 0.300 1 784 281 68 TRP H H 8.054 0.020 1 785 281 68 TRP HA H 3.907 0.020 1 786 281 68 TRP HB2 H 3.339 0.020 2 787 281 68 TRP HB3 H 3.133 0.020 2 788 281 68 TRP HD1 H 7.531 0.020 1 789 281 68 TRP HE1 H 10.693 0.020 1 790 281 68 TRP HZ2 H 7.082 0.020 1 791 281 68 TRP HZ3 H 6.718 0.020 1 792 281 68 TRP HH2 H 6.487 0.020 1 793 281 68 TRP C C 178.355 0.300 1 794 281 68 TRP CA C 62.138 0.300 1 795 281 68 TRP CB C 27.205 0.300 1 796 281 68 TRP CD1 C 126.006 0.300 1 797 281 68 TRP CZ2 C 113.531 0.300 1 798 281 68 TRP CZ3 C 120.809 0.300 1 799 281 68 TRP CH2 C 123.606 0.300 1 800 281 68 TRP N N 121.950 0.300 1 801 281 68 TRP NE1 N 130.602 0.300 1 802 282 69 ALA H H 8.646 0.020 1 803 282 69 ALA HA H 4.254 0.020 1 804 282 69 ALA HB H 1.429 0.020 1 805 282 69 ALA C C 179.711 0.300 1 806 282 69 ALA CA C 55.165 0.300 1 807 282 69 ALA CB C 17.947 0.300 1 808 282 69 ALA N N 121.291 0.300 1 809 283 70 LYS H H 7.377 0.020 1 810 283 70 LYS HA H 4.069 0.020 1 811 283 70 LYS HB2 H 1.990 0.020 2 812 283 70 LYS HB3 H 1.938 0.020 2 813 283 70 LYS HG2 H 1.192 0.020 2 814 283 70 LYS HG3 H 1.043 0.020 2 815 283 70 LYS HD2 H 1.712 0.020 2 816 283 70 LYS HD3 H 1.712 0.020 2 817 283 70 LYS HE2 H 2.996 0.020 2 818 283 70 LYS HE3 H 2.996 0.020 2 819 283 70 LYS C C 179.130 0.300 1 820 283 70 LYS CA C 59.157 0.300 1 821 283 70 LYS CB C 32.282 0.300 1 822 283 70 LYS CG C 25.143 0.300 1 823 283 70 LYS CD C 29.812 0.300 1 824 283 70 LYS CE C 42.039 0.300 1 825 283 70 LYS N N 121.568 0.300 1 826 284 71 VAL H H 7.910 0.020 1 827 284 71 VAL HA H 3.243 0.020 1 828 284 71 VAL HB H 2.432 0.020 1 829 284 71 VAL HG1 H 0.907 0.020 1 830 284 71 VAL HG2 H 0.525 0.020 1 831 284 71 VAL C C 177.360 0.300 1 832 284 71 VAL CA C 67.104 0.300 1 833 284 71 VAL CB C 31.233 0.300 1 834 284 71 VAL CG1 C 21.019 0.300 1 835 284 71 VAL CG2 C 22.371 0.300 1 836 284 71 VAL N N 120.437 0.300 1 837 285 72 ALA H H 8.114 0.020 1 838 285 72 ALA HA H 4.025 0.020 1 839 285 72 ALA HB H 1.532 0.020 1 840 285 72 ALA C C 179.268 0.300 1 841 285 72 ALA CA C 55.736 0.300 1 842 285 72 ALA CB C 18.458 0.300 1 843 285 72 ALA N N 119.442 0.300 1 844 286 73 ASN H H 8.245 0.020 1 845 286 73 ASN HA H 4.578 0.020 1 846 286 73 ASN HB2 H 2.941 0.020 2 847 286 73 ASN HB3 H 2.941 0.020 2 848 286 73 ASN HD21 H 7.755 0.020 2 849 286 73 ASN HD22 H 6.993 0.020 2 850 286 73 ASN C C 180.117 0.300 1 851 286 73 ASN CA C 56.729 0.300 1 852 286 73 ASN CB C 39.401 0.300 1 853 286 73 ASN N N 117.215 0.300 1 854 286 73 ASN ND2 N 112.913 0.300 1 855 287 74 ARG H H 8.750 0.020 1 856 287 74 ARG HA H 4.066 0.020 1 857 287 74 ARG HB2 H 1.933 0.020 2 858 287 74 ARG HB3 H 1.933 0.020 2 859 287 74 ARG C C 178.070 0.300 1 860 287 74 ARG CA C 59.916 0.300 1 861 287 74 ARG CB C 30.180 0.300 1 862 287 74 ARG CG C 27.144 0.300 1 863 287 74 ARG N N 121.814 0.300 1 864 288 75 MET H H 7.774 0.020 1 865 288 75 MET HA H 4.176 0.020 1 866 288 75 MET HB2 H 2.410 0.020 2 867 288 75 MET HB3 H 2.104 0.020 2 868 288 75 MET HE H 1.908 0.020 1 869 288 75 MET C C 173.855 0.300 1 870 288 75 MET CA C 56.453 0.300 1 871 288 75 MET CB C 33.441 0.300 1 872 288 75 MET CE C 17.128 0.300 1 873 288 75 MET N N 117.248 0.300 1 874 289 76 GLN H H 7.901 0.020 1 875 289 76 GLN HA H 3.892 0.020 1 876 289 76 GLN HB2 H 2.233 0.020 2 877 289 76 GLN HB3 H 2.233 0.020 2 878 289 76 GLN HG2 H 2.177 0.020 2 879 289 76 GLN HG3 H 2.177 0.020 2 880 289 76 GLN HE21 H 7.432 0.020 2 881 289 76 GLN HE22 H 6.789 0.020 2 882 289 76 GLN C C 175.617 0.300 1 883 289 76 GLN CA C 57.138 0.300 1 884 289 76 GLN CB C 25.218 0.300 1 885 289 76 GLN CG C 34.422 0.300 1 886 289 76 GLN N N 110.683 0.300 1 887 289 76 GLN NE2 N 112.439 0.300 1 888 290 77 TYR H H 7.913 0.020 1 889 290 77 TYR HA H 4.894 0.020 1 890 290 77 TYR HB2 H 2.580 0.020 1 891 290 77 TYR HB3 H 3.007 0.020 1 892 290 77 TYR HD1 H 7.211 0.020 1 893 290 77 TYR HD2 H 7.211 0.020 1 894 290 77 TYR HE1 H 6.823 0.020 1 895 290 77 TYR HE2 H 6.823 0.020 1 896 290 77 TYR CA C 56.910 0.300 1 897 290 77 TYR CB C 37.918 0.300 1 898 290 77 TYR CD1 C 132.662 0.300 1 899 290 77 TYR CE1 C 118.566 0.300 1 900 290 77 TYR N N 118.584 0.300 1 901 291 78 PRO HA H 4.510 0.020 1 902 291 78 PRO HB2 H 2.403 0.020 2 903 291 78 PRO HB3 H 1.936 0.020 2 904 291 78 PRO HG2 H 2.134 0.020 2 905 291 78 PRO HG3 H 2.134 0.020 2 906 291 78 PRO HD2 H 3.721 0.020 1 907 291 78 PRO HD3 H 4.134 0.020 1 908 291 78 PRO C C 177.157 0.300 1 909 291 78 PRO CA C 63.043 0.300 1 910 291 78 PRO CB C 32.131 0.300 1 911 291 78 PRO CG C 27.652 0.300 1 912 291 78 PRO CD C 50.758 0.300 1 913 292 79 SER H H 8.594 0.020 1 914 292 79 SER HA H 4.740 0.020 1 915 292 79 SER HB2 H 3.984 0.020 2 916 292 79 SER HB3 H 3.920 0.020 2 917 292 79 SER CA C 58.109 0.300 1 918 292 79 SER CB C 62.617 0.300 1 919 292 79 SER N N 117.068 0.300 1 920 294 81 LYS HA H 4.224 0.020 1 921 294 81 LYS HB2 H 1.842 0.020 2 922 294 81 LYS HB3 H 1.842 0.020 2 923 294 81 LYS HG2 H 1.513 0.020 2 924 294 81 LYS HG3 H 1.513 0.020 2 925 294 81 LYS HD2 H 1.708 0.020 2 926 294 81 LYS HD3 H 1.708 0.020 2 927 294 81 LYS HE2 H 3.010 0.020 2 928 294 81 LYS HE3 H 3.010 0.020 2 929 294 81 LYS C C 178.107 0.300 1 930 294 81 LYS CA C 58.109 0.300 1 931 294 81 LYS CB C 32.392 0.300 1 932 294 81 LYS CG C 24.865 0.300 1 933 294 81 LYS CD C 29.197 0.300 1 934 294 81 LYS CE C 42.001 0.300 1 935 295 82 SER H H 8.223 0.020 1 936 295 82 SER HA H 3.892 0.020 1 937 295 82 SER HB2 H 3.892 0.020 2 938 295 82 SER HB3 H 3.892 0.020 2 939 295 82 SER C C 180.569 0.300 1 940 295 82 SER CA C 59.599 0.300 1 941 295 82 SER CB C 62.579 0.300 1 942 295 82 SER N N 113.901 0.300 1 943 296 83 VAL H H 8.093 0.020 1 944 296 83 VAL HA H 3.760 0.020 1 945 296 83 VAL HB H 1.857 0.020 1 946 296 83 VAL HG1 H 0.562 0.020 1 947 296 83 VAL HG2 H 0.789 0.020 1 948 296 83 VAL C C 177.830 0.300 1 949 296 83 VAL CA C 65.247 0.300 1 950 296 83 VAL CB C 31.564 0.300 1 951 296 83 VAL CG1 C 21.278 0.300 1 952 296 83 VAL CG2 C 22.825 0.300 1 953 296 83 VAL N N 122.443 0.300 1 954 297 84 GLY H H 8.725 0.020 1 955 297 84 GLY HA2 H 3.590 0.020 1 956 297 84 GLY HA3 H 3.714 0.020 1 957 297 84 GLY C C 174.353 0.300 1 958 297 84 GLY CA C 48.286 0.300 1 959 297 84 GLY N N 109.331 0.300 1 960 298 85 ALA H H 7.739 0.020 1 961 298 85 ALA HA H 3.856 0.020 1 962 298 85 ALA HB H 1.378 0.020 1 963 298 85 ALA C C 180.633 0.300 1 964 298 85 ALA CA C 54.687 0.300 1 965 298 85 ALA CB C 18.016 0.300 1 966 298 85 ALA N N 121.568 0.300 1 967 299 86 THR H H 7.697 0.020 1 968 299 86 THR HA H 3.750 0.020 1 969 299 86 THR HB H 4.328 0.020 1 970 299 86 THR HG2 H 1.188 0.020 1 971 299 86 THR C C 175.285 0.300 1 972 299 86 THR CA C 66.001 0.300 1 973 299 86 THR CB C 68.374 0.300 1 974 299 86 THR CG2 C 22.813 0.300 1 975 299 86 THR N N 118.554 0.300 1 976 300 87 LEU H H 8.235 0.020 1 977 300 87 LEU HA H 3.900 0.020 1 978 300 87 LEU HB2 H 2.264 0.020 2 979 300 87 LEU HB3 H 1.533 0.020 2 980 300 87 LEU HG H 1.967 0.020 1 981 300 87 LEU HD1 H 1.058 0.020 1 982 300 87 LEU HD2 H 0.916 0.020 1 983 300 87 LEU C C 177.396 0.300 1 984 300 87 LEU CA C 58.385 0.300 1 985 300 87 LEU CB C 41.183 0.300 1 986 300 87 LEU CG C 26.438 0.300 1 987 300 87 LEU CD1 C 26.322 0.300 1 988 300 87 LEU CD2 C 23.202 0.300 1 989 300 87 LEU N N 120.264 0.300 1 990 301 88 LYS H H 7.562 0.020 1 991 301 88 LYS HA H 1.850 0.020 1 992 301 88 LYS HB2 H -0.252 0.020 1 993 301 88 LYS HB3 H 1.024 0.020 1 994 301 88 LYS HG2 H 0.689 0.020 1 995 301 88 LYS HG3 H 0.320 0.020 1 996 301 88 LYS HD2 H 1.216 0.020 2 997 301 88 LYS HD3 H 1.216 0.020 2 998 301 88 LYS HE2 H 3.024 0.020 2 999 301 88 LYS HE3 H 2.946 0.020 2 1000 301 88 LYS C C 177.295 0.300 1 1001 301 88 LYS CA C 58.495 0.300 1 1002 301 88 LYS CB C 32.464 0.300 1 1003 301 88 LYS CG C 24.198 0.300 1 1004 301 88 LYS CD C 30.650 0.300 1 1005 301 88 LYS CE C 42.262 0.300 1 1006 301 88 LYS N N 120.637 0.300 1 1007 302 89 ALA H H 7.042 0.020 1 1008 302 89 ALA HA H 4.040 0.020 1 1009 302 89 ALA HB H 1.227 0.020 1 1010 302 89 ALA C C 181.233 0.300 1 1011 302 89 ALA CA C 54.687 0.300 1 1012 302 89 ALA CB C 17.685 0.300 1 1013 302 89 ALA N N 118.934 0.300 1 1014 303 90 HIS H H 7.970 0.020 1 1015 303 90 HIS HA H 4.748 0.020 1 1016 303 90 HIS HB2 H 2.908 0.020 2 1017 303 90 HIS HB3 H 2.664 0.020 2 1018 303 90 HIS C C 178.448 0.300 1 1019 303 90 HIS CA C 58.716 0.300 1 1020 303 90 HIS CB C 31.078 0.300 1 1021 303 90 HIS N N 115.831 0.300 1 1022 304 91 TYR H H 9.226 0.020 1 1023 304 91 TYR HA H 3.789 0.020 1 1024 304 91 TYR HB2 H 3.450 0.020 1 1025 304 91 TYR HB3 H 3.214 0.020 1 1026 304 91 TYR HD1 H 7.139 0.020 1 1027 304 91 TYR HD2 H 7.139 0.020 1 1028 304 91 TYR HE1 H 7.350 0.020 1 1029 304 91 TYR HE2 H 7.350 0.020 1 1030 304 91 TYR C C 179.914 0.300 1 1031 304 91 TYR CA C 63.020 0.300 1 1032 304 91 TYR CB C 39.897 0.300 1 1033 304 91 TYR CD1 C 133.489 0.300 1 1034 304 91 TYR CE1 C 120.041 0.300 1 1035 304 91 TYR N N 122.513 0.300 1 1036 305 92 GLU H H 8.955 0.020 1 1037 305 92 GLU HA H 4.055 0.020 1 1038 305 92 GLU HB2 H 2.039 0.020 1 1039 305 92 GLU HB3 H 2.315 0.020 1 1040 305 92 GLU HG2 H 2.590 0.020 1 1041 305 92 GLU HG3 H 2.464 0.020 1 1042 305 92 GLU C C 177.977 0.300 1 1043 305 92 GLU CA C 59.875 0.300 1 1044 305 92 GLU CB C 30.225 0.300 1 1045 305 92 GLU CG C 37.204 0.300 1 1046 305 92 GLU N N 119.209 0.300 1 1047 306 93 ARG H H 7.963 0.020 1 1048 306 93 ARG HA H 4.353 0.020 1 1049 306 93 ARG HB2 H 1.974 0.020 2 1050 306 93 ARG HB3 H 1.974 0.020 2 1051 306 93 ARG HG2 H 2.132 0.020 1 1052 306 93 ARG HG3 H 1.801 0.020 1 1053 306 93 ARG HD2 H 3.214 0.020 2 1054 306 93 ARG HD3 H 3.214 0.020 2 1055 306 93 ARG C C 177.618 0.300 1 1056 306 93 ARG CA C 58.661 0.300 1 1057 306 93 ARG CB C 31.951 0.300 1 1058 306 93 ARG CG C 28.039 0.300 1 1059 306 93 ARG CD C 43.340 0.300 1 1060 306 93 ARG N N 115.344 0.300 1 1061 307 94 ILE H H 8.483 0.020 1 1062 307 94 ILE HA H 4.272 0.020 1 1063 307 94 ILE HB H 1.753 0.020 1 1064 307 94 ILE HG12 H 1.807 0.020 1 1065 307 94 ILE HG13 H 0.826 0.020 1 1066 307 94 ILE HG2 H 0.830 0.020 1 1067 307 94 ILE HD1 H 0.779 0.020 1 1068 307 94 ILE C C 176.843 0.300 1 1069 307 94 ILE CA C 64.037 0.300 1 1070 307 94 ILE CB C 40.427 0.300 1 1071 307 94 ILE CG1 C 27.959 0.300 1 1072 307 94 ILE CG2 C 18.424 0.300 1 1073 307 94 ILE CD1 C 14.461 0.300 1 1074 307 94 ILE N N 113.560 0.300 1 1075 308 95 LEU H H 7.531 0.020 1 1076 308 95 LEU HA H 4.615 0.020 1 1077 308 95 LEU HB2 H 1.222 0.020 1 1078 308 95 LEU HB3 H 1.110 0.020 1 1079 308 95 LEU HG H 1.807 0.020 1 1080 308 95 LEU C C 178.595 0.300 1 1081 308 95 LEU CA C 56.453 0.300 1 1082 308 95 LEU CB C 43.376 0.300 1 1083 308 95 LEU CG C 27.199 0.300 1 1084 308 95 LEU N N 116.991 0.300 1 1085 309 96 HIS H H 8.995 0.020 1 1086 309 96 HIS HA H 4.895 0.020 1 1087 309 96 HIS HB2 H 3.402 0.020 2 1088 309 96 HIS HB3 H 2.929 0.020 2 1089 309 96 HIS CA C 61.036 0.300 1 1090 309 96 HIS CB C 28.143 0.300 1 1091 309 96 HIS N N 120.003 0.300 1 1092 310 97 PRO HA H 4.025 0.020 1 1093 310 97 PRO HB2 H 2.189 0.020 2 1094 310 97 PRO HB3 H 1.931 0.020 2 1095 310 97 PRO HG2 H 2.132 0.020 2 1096 310 97 PRO HG3 H 2.132 0.020 2 1097 310 97 PRO HD2 H 3.365 0.020 1 1098 310 97 PRO HD3 H 4.136 0.020 1 1099 310 97 PRO C C 179.398 0.300 1 1100 310 97 PRO CA C 59.146 0.300 1 1101 310 97 PRO CB C 31.957 0.300 1 1102 310 97 PRO CG C 27.699 0.300 1 1103 310 97 PRO CD C 50.765 0.300 1 1104 311 98 PHE H H 7.967 0.020 1 1105 311 98 PHE HA H 2.744 0.020 1 1106 311 98 PHE HB2 H 3.044 0.020 2 1107 311 98 PHE HB3 H 2.432 0.020 2 1108 311 98 PHE HD1 H 6.603 0.020 1 1109 311 98 PHE HD2 H 6.603 0.020 1 1110 311 98 PHE HE1 H 6.999 0.020 1 1111 311 98 PHE HE2 H 6.999 0.020 1 1112 311 98 PHE C C 176.659 0.300 1 1113 311 98 PHE CA C 59.448 0.300 1 1114 311 98 PHE CB C 38.849 0.300 1 1115 311 98 PHE CD1 C 131.023 0.300 1 1116 311 98 PHE CE1 C 131.269 0.300 1 1117 311 98 PHE N N 119.891 0.300 1 1118 312 99 GLU H H 8.248 0.020 1 1119 312 99 GLU HA H 3.739 0.020 1 1120 312 99 GLU HB2 H 2.425 0.020 2 1121 312 99 GLU HB3 H 2.159 0.020 2 1122 312 99 GLU HG2 H 2.707 0.020 2 1123 312 99 GLU HG3 H 2.662 0.020 2 1124 312 99 GLU C C 179.130 0.300 1 1125 312 99 GLU CA C 58.882 0.300 1 1126 312 99 GLU CB C 28.936 0.300 1 1127 312 99 GLU CG C 35.814 0.300 1 1128 312 99 GLU N N 122.354 0.300 1 1129 313 100 VAL H H 7.916 0.020 1 1130 313 100 VAL HA H 3.575 0.020 1 1131 313 100 VAL HB H 1.835 0.020 1 1132 313 100 VAL HG1 H 0.813 0.020 1 1133 313 100 VAL HG2 H 0.628 0.020 1 1134 313 100 VAL C C 178.549 0.300 1 1135 313 100 VAL CA C 65.614 0.300 1 1136 313 100 VAL CB C 31.895 0.300 1 1137 313 100 VAL CG1 C 20.991 0.300 1 1138 313 100 VAL CG2 C 21.898 0.300 1 1139 313 100 VAL N N 119.330 0.300 1 1140 314 101 TYR H H 7.397 0.020 1 1141 314 101 TYR HA H 4.179 0.020 1 1142 314 101 TYR HB2 H 3.059 0.020 2 1143 314 101 TYR HB3 H 2.617 0.020 2 1144 314 101 TYR HD1 H 6.991 0.020 1 1145 314 101 TYR HD2 H 6.991 0.020 1 1146 314 101 TYR HE1 H 6.838 0.020 1 1147 314 101 TYR HE2 H 6.838 0.020 1 1148 314 101 TYR C C 177.664 0.300 1 1149 314 101 TYR CA C 60.744 0.300 1 1150 314 101 TYR CB C 39.361 0.300 1 1151 314 101 TYR CD1 C 133.663 0.300 1 1152 314 101 TYR CE1 C 118.180 0.300 1 1153 314 101 TYR N N 120.958 0.300 1 1154 315 102 THR H H 7.851 0.020 1 1155 315 102 THR HA H 3.715 0.020 1 1156 315 102 THR HB H 3.951 0.020 1 1157 315 102 THR HG2 H 0.802 0.020 1 1158 315 102 THR C C 175.653 0.300 1 1159 315 102 THR CA C 63.885 0.300 1 1160 315 102 THR CB C 69.201 0.300 1 1161 315 102 THR CG2 C 21.899 0.300 1 1162 315 102 THR N N 110.904 0.300 1 1163 316 103 SER H H 7.668 0.020 1 1164 316 103 SER HA H 4.261 0.020 1 1165 316 103 SER HB2 H 3.944 0.020 2 1166 316 103 SER HB3 H 3.944 0.020 2 1167 316 103 SER C C 175.220 0.300 1 1168 316 103 SER CA C 59.971 0.300 1 1169 316 103 SER CB C 63.498 0.300 1 1170 316 103 SER N N 116.462 0.300 1 1171 317 104 GLY H H 7.915 0.020 1 1172 317 104 GLY HA2 H 3.907 0.020 2 1173 317 104 GLY HA3 H 3.907 0.020 2 1174 317 104 GLY C C 173.994 0.300 1 1175 317 104 GLY CA C 45.471 0.300 1 1176 317 104 GLY N N 109.331 0.300 1 1177 318 105 LYS H H 7.667 0.020 1 1178 318 105 LYS HA H 4.313 0.020 1 1179 318 105 LYS HB2 H 1.742 0.020 2 1180 318 105 LYS HB3 H 1.628 0.020 2 1181 318 105 LYS HG2 H 1.291 0.020 2 1182 318 105 LYS HG3 H 1.291 0.020 2 1183 318 105 LYS HD2 H 1.568 0.020 2 1184 318 105 LYS HD3 H 1.568 0.020 2 1185 318 105 LYS HE2 H 2.888 0.020 2 1186 318 105 LYS HE3 H 2.888 0.020 2 1187 318 105 LYS C C 175.875 0.300 1 1188 318 105 LYS CA C 56.053 0.300 1 1189 318 105 LYS CB C 33.275 0.300 1 1190 318 105 LYS CG C 24.582 0.300 1 1191 318 105 LYS CD C 28.867 0.300 1 1192 318 105 LYS CE C 41.984 0.300 1 1193 318 105 LYS N N 120.383 0.300 1 1194 319 106 VAL H H 8.065 0.020 1 1195 319 106 VAL HA H 4.077 0.020 1 1196 319 106 VAL HB H 2.063 0.020 1 1197 319 106 VAL HG1 H 0.916 0.020 2 1198 319 106 VAL HG2 H 0.916 0.020 2 1199 319 106 VAL C C 175.174 0.300 1 1200 319 106 VAL CA C 62.560 0.300 1 1201 319 106 VAL CB C 32.889 0.300 1 1202 319 106 VAL CG1 C 20.808 0.300 1 1203 319 106 VAL N N 121.568 0.300 1 1204 320 107 LEU H H 7.965 0.020 1 1205 320 107 LEU HA H 4.207 0.020 1 1206 320 107 LEU HB2 H 1.600 0.020 2 1207 320 107 LEU HB3 H 1.600 0.020 2 1208 320 107 LEU HG H 2.173 0.020 1 1209 320 107 LEU CA C 56.729 0.300 1 1210 320 107 LEU CB C 43.662 0.300 1 1211 320 107 LEU CG C 27.310 0.300 1 1212 320 107 LEU N N 131.888 0.300 1 stop_ save_