data_25326 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The structure of the carboxy-terminal domain of DNTTIP1 ; _BMRB_accession_number 25326 _BMRB_flat_file_name bmr25326.str _Entry_type original _Submission_date 2014-11-11 _Accession_date 2014-11-11 _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 Schwabe John W.R. . 2 Muskett Frederick W. . 3 Itoh Toshimasa . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 618 "13C chemical shifts" 382 "15N chemical shifts" 108 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-08-25 update BMRB 'update entry citation' 2015-02-16 original author 'original release' stop_ _Original_release_date 2015-08-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural and functional characterization of a cell cycle associated HDAC1/2 complex reveals the structural basis for complex assembly and nucleosome targeting ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25653165 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Itoh Toshimasa . . 2 Fairall Louise . . 3 Muskett Frederick W. . 4 Milano Charles P. . 5 Watson Peter J. . 6 Arnaudo Nadia . . 7 Martino Fabrizio . . 8 Schwabe John W.R. . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_volume 43 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2033 _Page_last 2044 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'carboxy-terminal domain of DNTTIP1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 14060.309 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 122 _Mol_residue_sequence ; GAREGPKWDPARLNESTTFV LGSRANKALGMGGTRGRIYI KHPHLFKYAADPQDKHWLAE QHHMRATGGKMAYLLIEEDI RDLAASDDYRGCLDLKLEEL KSFVLPSWMVEKMRKYMETL RT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . GLY 2 196 ALA 3 197 ARG 4 198 GLU 5 199 GLY 6 200 PRO 7 201 LYS 8 202 TRP 9 203 ASP 10 204 PRO 11 205 ALA 12 206 ARG 13 207 LEU 14 208 ASN 15 209 GLU 16 210 SER 17 211 THR 18 212 THR 19 213 PHE 20 214 VAL 21 215 LEU 22 216 GLY 23 217 SER 24 218 ARG 25 219 ALA 26 220 ASN 27 221 LYS 28 222 ALA 29 223 LEU 30 224 GLY 31 225 MET 32 226 GLY 33 227 GLY 34 228 THR 35 229 ARG 36 230 GLY 37 231 ARG 38 232 ILE 39 233 TYR 40 234 ILE 41 235 LYS 42 236 HIS 43 237 PRO 44 238 HIS 45 239 LEU 46 240 PHE 47 241 LYS 48 242 TYR 49 243 ALA 50 244 ALA 51 245 ASP 52 246 PRO 53 247 GLN 54 248 ASP 55 249 LYS 56 250 HIS 57 251 TRP 58 252 LEU 59 253 ALA 60 254 GLU 61 255 GLN 62 256 HIS 63 257 HIS 64 258 MET 65 259 ARG 66 260 ALA 67 261 THR 68 262 GLY 69 263 GLY 70 264 LYS 71 265 MET 72 266 ALA 73 267 TYR 74 268 LEU 75 269 LEU 76 270 ILE 77 271 GLU 78 272 GLU 79 273 ASP 80 274 ILE 81 275 ARG 82 276 ASP 83 277 LEU 84 278 ALA 85 279 ALA 86 280 SER 87 281 ASP 88 282 ASP 89 283 TYR 90 284 ARG 91 285 GLY 92 286 CYS 93 287 LEU 94 288 ASP 95 289 LEU 96 290 LYS 97 291 LEU 98 292 GLU 99 293 GLU 100 294 LEU 101 295 LYS 102 296 SER 103 297 PHE 104 298 VAL 105 299 LEU 106 300 PRO 107 301 SER 108 302 TRP 109 303 MET 110 304 VAL 111 305 GLU 112 306 LYS 113 307 MET 114 308 ARG 115 309 LYS 116 310 TYR 117 311 MET 118 312 GLU 119 313 THR 120 314 LEU 121 315 ARG 122 316 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 2MWI "The Structure Of The Carboxy-terminal Domain Of Dnttip1" 100.00 122 100.00 100.00 2.79e-84 DBJ BAB62888 "TdT binding protein [Homo sapiens]" 98.36 329 100.00 100.00 2.62e-81 DBJ BAB82521 "TdT interacting factor 1 [Mus musculus]" 98.36 328 100.00 100.00 2.74e-81 DBJ BAE26320 "unnamed protein product [Mus musculus]" 98.36 328 100.00 100.00 2.74e-81 DBJ BAE40293 "unnamed protein product [Mus musculus]" 98.36 328 100.00 100.00 2.74e-81 DBJ BAG36715 "unnamed protein product [Homo sapiens]" 98.36 329 100.00 100.00 2.62e-81 EMBL CAH93071 "hypothetical protein [Pongo abelii]" 98.36 329 99.17 99.17 3.45e-80 GB AAH03486 "Deoxynucleotidyltransferase, terminal, interacting protein 1 [Mus musculus]" 98.36 328 100.00 100.00 2.74e-81 GB AAH09535 "DNTTIP1 protein, partial [Homo sapiens]" 98.36 212 100.00 100.00 6.65e-82 GB AAH24290 "Deoxynucleotidyltransferase, terminal, interacting protein 1 [Homo sapiens]" 98.36 329 100.00 100.00 2.62e-81 GB AAI00641 "Dnttip1 protein [Rattus norvegicus]" 98.36 328 100.00 100.00 2.18e-81 GB AAI46176 "DNTTIP1 protein [Bos taurus]" 98.36 329 100.00 100.00 3.32e-81 REF NP_001092346 "deoxynucleotidyltransferase terminal-interacting protein 1 [Bos taurus]" 98.36 329 100.00 100.00 3.32e-81 REF NP_001126819 "deoxynucleotidyltransferase terminal-interacting protein 1 [Pongo abelii]" 98.36 329 99.17 99.17 3.45e-80 REF NP_001181292 "deoxynucleotidyltransferase terminal-interacting protein 1 [Macaca mulatta]" 98.36 329 100.00 100.00 2.91e-81 REF NP_443183 "deoxynucleotidyltransferase terminal-interacting protein 1 [Homo sapiens]" 98.36 329 100.00 100.00 2.62e-81 REF NP_598524 "deoxynucleotidyltransferase terminal-interacting protein 1 [Mus musculus]" 98.36 328 100.00 100.00 2.74e-81 SP A6H7A8 "RecName: Full=Deoxynucleotidyltransferase terminal-interacting protein 1; AltName: Full=Terminal deoxynucleotidyltransferase-in" 98.36 329 100.00 100.00 3.32e-81 SP Q5R595 "RecName: Full=Deoxynucleotidyltransferase terminal-interacting protein 1; AltName: Full=Terminal deoxynucleotidyltransferase-in" 98.36 329 99.17 99.17 3.45e-80 SP Q91Y53 "RecName: Full=Deoxynucleotidyltransferase terminal-interacting protein 1; AltName: Full=Terminal deoxynucleotidyltransferase-in" 98.36 327 100.00 100.00 1.55e-81 SP Q99LB0 "RecName: Full=Deoxynucleotidyltransferase terminal-interacting protein 1; AltName: Full=Terminal deoxynucleotidyltransferase-in" 98.36 328 100.00 100.00 2.74e-81 SP Q9H147 "RecName: Full=Deoxynucleotidyltransferase terminal-interacting protein 1; AltName: Full=Terminal deoxynucleotidyltransferase-in" 98.36 329 100.00 100.00 2.62e-81 TPG DAA23166 "TPA: deoxynucleotidyltransferase terminal-interacting protein 1 [Bos taurus]" 98.36 329 100.00 100.00 3.32e-81 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 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 $entity 'recombinant technology' . Escherichia coli 'Rosetta pLysS' pET30A stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'potassium phosphate' 40 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 1 mM 'natural abundance' $entity 0.3 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'potassium phosphate' 40 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 1 mM 'natural abundance' $entity 0.3 mM '[U-100% 13C; U-100% 15N]' D2O 100 % '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 refinement stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.1 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNHA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_CCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 80 . mM pH 6.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 80 . mM pH 6.0 . 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_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HNHA' '3D HBHA(CO)NH' '3D HNCO' '3D HCCH-TOCSY' '3D CCH-TOCSY' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _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 1 196 2 ALA H H 8.414 0.020 . 2 196 2 ALA HA H 3.781 0.012 . 3 196 2 ALA HB H 1.255 0.001 . 4 196 2 ALA CA C 55.082 0.017 . 5 196 2 ALA CB C 18.450 0.156 . 6 197 3 ARG H H 8.236 0.005 . 7 197 3 ARG HA H 4.811 0.020 . 8 197 3 ARG HB2 H 1.440 0.014 . 9 197 3 ARG HB3 H 1.133 0.014 . 10 197 3 ARG HG2 H 1.220 0.014 . 11 197 3 ARG HG3 H 1.003 0.003 . 12 197 3 ARG HD2 H 2.700 0.007 . 13 197 3 ARG HD3 H 2.646 0.007 . 14 197 3 ARG CA C 55.637 0.080 . 15 197 3 ARG CB C 29.975 0.093 . 16 197 3 ARG CG C 27.006 0.096 . 17 197 3 ARG CD C 43.026 0.043 . 18 197 3 ARG N N 122.702 0.039 . 19 198 4 GLU H H 8.109 0.006 . 20 198 4 GLU HA H 4.360 0.010 . 21 198 4 GLU HB2 H 1.909 0.011 . 22 198 4 GLU HB3 H 1.779 0.011 . 23 198 4 GLU HG2 H 2.038 0.005 . 24 198 4 GLU HG3 H 2.038 0.005 . 25 198 4 GLU CA C 55.600 0.102 . 26 198 4 GLU CB C 31.264 0.083 . 27 198 4 GLU CG C 35.832 0.028 . 28 198 4 GLU N N 120.945 0.032 . 29 199 5 GLY H H 8.261 0.009 . 30 199 5 GLY HA2 H 3.954 0.013 . 31 199 5 GLY HA3 H 4.170 0.005 . 32 199 5 GLY CA C 44.930 0.115 . 33 199 5 GLY N N 109.217 0.042 . 34 200 6 PRO HA H 4.293 0.010 . 35 200 6 PRO HB2 H 2.165 0.010 . 36 200 6 PRO HB3 H 1.650 0.008 . 37 200 6 PRO HG2 H 1.879 0.010 . 38 200 6 PRO HG3 H 1.879 0.010 . 39 200 6 PRO HD2 H 3.605 0.010 . 40 200 6 PRO HD3 H 3.534 0.009 . 41 200 6 PRO CA C 64.052 0.067 . 42 200 6 PRO CB C 32.170 0.041 . 43 200 6 PRO CG C 27.222 0.056 . 44 200 6 PRO CD C 49.954 0.070 . 45 201 7 LYS H H 8.418 0.008 . 46 201 7 LYS HA H 3.945 0.013 . 47 201 7 LYS HB2 H 1.717 0.011 . 48 201 7 LYS HB3 H 1.590 0.013 . 49 201 7 LYS HG2 H 1.345 0.008 . 50 201 7 LYS HG3 H 1.177 0.009 . 51 201 7 LYS HD2 H 1.486 0.009 . 52 201 7 LYS HD3 H 1.486 0.009 . 53 201 7 LYS HE2 H 2.864 0.013 . 54 201 7 LYS HE3 H 2.803 0.012 . 55 201 7 LYS CA C 56.635 0.089 . 56 201 7 LYS CB C 32.184 0.080 . 57 201 7 LYS CG C 25.032 0.081 . 58 201 7 LYS CD C 28.744 0.044 . 59 201 7 LYS CE C 41.900 0.093 . 60 201 7 LYS N N 118.499 0.040 . 61 202 8 TRP H H 7.815 0.010 . 62 202 8 TRP HA H 4.489 0.010 . 63 202 8 TRP HB2 H 3.400 0.010 . 64 202 8 TRP HB3 H 2.715 0.011 . 65 202 8 TRP HD1 H 7.118 0.007 . 66 202 8 TRP HE1 H 10.473 0.011 . 67 202 8 TRP HE3 H 7.578 0.009 . 68 202 8 TRP HZ2 H 7.493 0.006 . 69 202 8 TRP HZ3 H 7.175 0.009 . 70 202 8 TRP HH2 H 7.313 0.008 . 71 202 8 TRP CA C 56.096 0.111 . 72 202 8 TRP CB C 28.866 0.054 . 73 202 8 TRP CD1 C 126.793 0.096 . 74 202 8 TRP CE3 C 120.987 0.032 . 75 202 8 TRP CZ2 C 115.373 0.031 . 76 202 8 TRP CZ3 C 122.434 0.052 . 77 202 8 TRP CH2 C 124.870 0.093 . 78 202 8 TRP N N 120.227 0.084 . 79 202 8 TRP NE1 N 130.746 0.019 . 80 203 9 ASP H H 7.186 0.008 . 81 203 9 ASP HA H 4.800 0.008 . 82 203 9 ASP HB2 H 2.780 0.009 . 83 203 9 ASP HB3 H 2.433 0.010 . 84 203 9 ASP CA C 50.620 0.094 . 85 203 9 ASP CB C 42.526 0.087 . 86 203 9 ASP N N 121.363 0.060 . 87 204 10 PRO HA H 4.330 0.006 . 88 204 10 PRO HB2 H 2.276 0.010 . 89 204 10 PRO HB3 H 1.985 0.009 . 90 204 10 PRO HG2 H 2.082 0.008 . 91 204 10 PRO HG3 H 1.772 0.011 . 92 204 10 PRO HD2 H 3.904 0.012 . 93 204 10 PRO HD3 H 3.904 0.012 . 94 204 10 PRO CA C 64.471 0.037 . 95 204 10 PRO CB C 32.132 0.093 . 96 204 10 PRO CG C 27.321 0.074 . 97 204 10 PRO CD C 50.965 0.071 . 98 205 11 ALA H H 8.122 0.006 . 99 205 11 ALA HA H 4.017 0.013 . 100 205 11 ALA HB H 1.268 0.010 . 101 205 11 ALA CA C 53.532 0.081 . 102 205 11 ALA CB C 18.223 0.133 . 103 205 11 ALA N N 118.708 0.048 . 104 206 12 ARG H H 7.894 0.007 . 105 206 12 ARG HA H 4.017 0.010 . 106 206 12 ARG HB2 H 1.865 0.011 . 107 206 12 ARG HB3 H 1.662 0.008 . 108 206 12 ARG HG2 H 1.642 0.005 . 109 206 12 ARG HG3 H 1.224 0.012 . 110 206 12 ARG HD2 H 3.062 0.013 . 111 206 12 ARG HD3 H 2.804 0.011 . 112 206 12 ARG HE H 7.027 0.001 . 113 206 12 ARG CA C 56.846 0.047 . 114 206 12 ARG CB C 30.476 0.057 . 115 206 12 ARG CG C 26.751 0.072 . 116 206 12 ARG CD C 43.886 0.071 . 117 206 12 ARG N N 116.053 0.028 . 118 206 12 ARG NE N 90.626 0.019 . 119 207 13 LEU H H 7.267 0.008 . 120 207 13 LEU HA H 4.318 0.010 . 121 207 13 LEU HB2 H 1.131 0.012 . 122 207 13 LEU HB3 H 1.841 0.013 . 123 207 13 LEU HG H 1.403 0.011 . 124 207 13 LEU HD1 H 0.722 0.010 . 125 207 13 LEU HD2 H 0.725 0.009 . 126 207 13 LEU CA C 53.485 0.108 . 127 207 13 LEU CB C 42.064 0.056 . 128 207 13 LEU CG C 26.626 0.066 . 129 207 13 LEU CD1 C 25.980 0.069 . 130 207 13 LEU CD2 C 23.839 0.044 . 131 207 13 LEU N N 119.318 0.058 . 132 208 14 ASN H H 8.989 0.005 . 133 208 14 ASN HA H 4.676 0.010 . 134 208 14 ASN HB2 H 2.824 0.016 . 135 208 14 ASN HB3 H 2.947 0.013 . 136 208 14 ASN CA C 52.505 0.094 . 137 208 14 ASN CB C 40.004 0.053 . 138 208 14 ASN N N 120.683 0.066 . 139 209 15 GLU H H 9.008 0.008 . 140 209 15 GLU HA H 4.144 0.009 . 141 209 15 GLU HB2 H 2.119 0.004 . 142 209 15 GLU HB3 H 2.031 0.009 . 143 209 15 GLU HG2 H 2.274 0.010 . 144 209 15 GLU HG3 H 2.226 0.010 . 145 209 15 GLU CA C 59.400 0.073 . 146 209 15 GLU CB C 29.391 0.084 . 147 209 15 GLU CG C 36.858 0.067 . 148 209 15 GLU N N 117.217 0.057 . 149 210 16 SER H H 8.707 0.006 . 150 210 16 SER HA H 4.556 0.014 . 151 210 16 SER HB2 H 3.816 0.014 . 152 210 16 SER HB3 H 3.816 0.014 . 153 210 16 SER CA C 58.215 0.100 . 154 210 16 SER CB C 64.145 0.033 . 155 210 16 SER N N 113.969 0.045 . 156 211 17 THR H H 7.647 0.007 . 157 211 17 THR HA H 3.718 0.013 . 158 211 17 THR HB H 3.934 0.011 . 159 211 17 THR HG2 H 0.554 0.012 . 160 211 17 THR CA C 64.750 0.060 . 161 211 17 THR CB C 68.901 0.064 . 162 211 17 THR CG2 C 22.982 0.024 . 163 211 17 THR N N 122.848 0.050 . 164 212 18 THR H H 7.108 0.005 . 165 212 18 THR HA H 4.565 0.009 . 166 212 18 THR HB H 3.834 0.012 . 167 212 18 THR HG2 H 0.973 0.011 . 168 212 18 THR CA C 59.217 0.091 . 169 212 18 THR CB C 69.546 0.087 . 170 212 18 THR CG2 C 24.191 0.045 . 171 212 18 THR N N 112.344 0.039 . 172 213 19 PHE H H 9.003 0.006 . 173 213 19 PHE HA H 5.048 0.008 . 174 213 19 PHE HB2 H 2.148 0.010 . 175 213 19 PHE HB3 H 2.729 0.013 . 176 213 19 PHE HD1 H 6.972 0.009 . 177 213 19 PHE HD2 H 6.972 0.009 . 178 213 19 PHE HE1 H 7.130 0.005 . 179 213 19 PHE HE2 H 7.130 0.005 . 180 213 19 PHE HZ H 6.857 0.020 . 181 213 19 PHE CA C 56.949 0.080 . 182 213 19 PHE CB C 43.532 0.056 . 183 213 19 PHE CE1 C 132.068 0.027 . 184 213 19 PHE CE2 C 132.068 0.027 . 185 213 19 PHE N N 122.196 0.043 . 186 214 20 VAL H H 8.799 0.007 . 187 214 20 VAL HA H 4.571 0.015 . 188 214 20 VAL HB H 1.938 0.010 . 189 214 20 VAL HG1 H 0.575 0.011 . 190 214 20 VAL HG2 H 0.504 0.012 . 191 214 20 VAL CA C 57.535 0.051 . 192 214 20 VAL CB C 35.579 0.051 . 193 214 20 VAL CG1 C 22.261 0.041 . 194 214 20 VAL CG2 C 20.189 0.058 . 195 214 20 VAL N N 108.206 0.104 . 196 215 21 LEU H H 8.915 0.004 . 197 215 21 LEU HA H 5.119 0.004 . 198 215 21 LEU HB2 H 1.937 0.007 . 199 215 21 LEU HB3 H 1.768 0.013 . 200 215 21 LEU HG H 2.026 0.005 . 201 215 21 LEU HD1 H 1.129 0.004 . 202 215 21 LEU HD2 H 1.118 0.020 . 203 215 21 LEU CA C 54.237 0.145 . 204 215 21 LEU CB C 43.572 0.051 . 205 215 21 LEU CG C 28.282 0.026 . 206 215 21 LEU CD1 C 25.855 0.004 . 207 215 21 LEU CD2 C 24.469 0.043 . 208 215 21 LEU N N 122.732 0.056 . 209 216 22 GLY H H 9.568 0.010 . 210 216 22 GLY HA2 H 4.526 0.011 . 211 216 22 GLY HA3 H 3.637 0.003 . 212 216 22 GLY CA C 48.492 0.158 . 213 216 22 GLY N N 114.065 0.039 . 214 219 25 ALA CA C 55.281 0.040 . 215 219 25 ALA CB C 18.518 0.069 . 216 220 26 ASN H H 8.250 0.005 . 217 220 26 ASN CA C 58.065 0.200 . 218 220 26 ASN CB C 40.182 0.200 . 219 220 26 ASN N N 114.372 0.081 . 220 221 27 LYS CA C 59.103 0.067 . 221 221 27 LYS CB C 33.005 0.021 . 222 222 28 ALA H H 8.582 0.007 . 223 222 28 ALA HA H 4.016 0.008 . 224 222 28 ALA HB H 1.228 0.014 . 225 222 28 ALA CA C 54.395 0.099 . 226 222 28 ALA CB C 19.336 0.122 . 227 222 28 ALA N N 123.187 0.043 . 228 223 29 LEU H H 7.073 0.007 . 229 223 29 LEU HA H 4.149 0.010 . 230 223 29 LEU HB2 H 1.314 0.008 . 231 223 29 LEU HB3 H 1.671 0.011 . 232 223 29 LEU HG H 1.360 0.014 . 233 223 29 LEU HD1 H 0.389 0.012 . 234 223 29 LEU HD2 H 0.031 0.015 . 235 223 29 LEU CA C 54.095 0.075 . 236 223 29 LEU CB C 40.615 0.094 . 237 223 29 LEU CG C 26.798 0.118 . 238 223 29 LEU CD1 C 25.570 0.073 . 239 223 29 LEU CD2 C 20.987 0.047 . 240 223 29 LEU N N 113.319 0.065 . 241 224 30 GLY H H 7.604 0.011 . 242 224 30 GLY HA2 H 3.838 0.014 . 243 224 30 GLY HA3 H 3.920 0.009 . 244 224 30 GLY CA C 46.399 0.114 . 245 224 30 GLY N N 104.045 0.061 . 246 225 31 MET H H 7.604 0.014 . 247 225 31 MET HA H 4.649 0.002 . 248 225 31 MET HB2 H 2.351 0.007 . 249 225 31 MET HB3 H 2.278 0.012 . 250 225 31 MET CA C 54.982 0.106 . 251 225 31 MET CB C 32.657 0.063 . 252 225 31 MET N N 117.725 0.054 . 253 226 32 GLY H H 8.820 0.006 . 254 226 32 GLY CA C 46.721 0.200 . 255 226 32 GLY N N 108.077 0.048 . 256 230 36 GLY HA2 H 4.104 0.001 . 257 230 36 GLY HA3 H 3.528 0.022 . 258 230 36 GLY CA C 45.537 0.124 . 259 231 37 ARG H H 7.713 0.012 . 260 231 37 ARG HA H 4.133 0.007 . 261 231 37 ARG HB2 H 1.773 0.015 . 262 231 37 ARG HB3 H 1.695 0.011 . 263 231 37 ARG HG2 H 1.597 0.007 . 264 231 37 ARG HG3 H 1.536 0.011 . 265 231 37 ARG HD2 H 3.173 0.011 . 266 231 37 ARG HD3 H 3.173 0.011 . 267 231 37 ARG HE H 7.266 0.011 . 268 231 37 ARG CA C 58.917 0.102 . 269 231 37 ARG CB C 29.643 0.060 . 270 231 37 ARG CG C 27.004 0.061 . 271 231 37 ARG CD C 43.101 0.054 . 272 231 37 ARG N N 122.932 0.066 . 273 231 37 ARG NE N 89.786 0.006 . 274 232 38 ILE H H 8.421 0.009 . 275 232 38 ILE HA H 3.605 0.012 . 276 232 38 ILE HB H 1.835 0.012 . 277 232 38 ILE HG12 H 0.859 0.018 . 278 232 38 ILE HG13 H 1.248 0.009 . 279 232 38 ILE HG2 H 0.466 0.010 . 280 232 38 ILE HD1 H 0.043 0.010 . 281 232 38 ILE CA C 64.931 0.067 . 282 232 38 ILE CB C 37.341 0.117 . 283 232 38 ILE CG1 C 28.209 0.055 . 284 232 38 ILE CG2 C 14.985 0.043 . 285 232 38 ILE CD1 C 14.776 0.024 . 286 232 38 ILE N N 117.520 0.070 . 287 233 39 TYR H H 6.085 0.011 . 288 233 39 TYR HA H 4.248 0.011 . 289 233 39 TYR HB2 H 3.017 0.006 . 290 233 39 TYR HB3 H 2.614 0.015 . 291 233 39 TYR HD1 H 6.858 0.002 . 292 233 39 TYR HD2 H 6.858 0.002 . 293 233 39 TYR HE1 H 6.537 0.007 . 294 233 39 TYR HE2 H 6.537 0.007 . 295 233 39 TYR CA C 57.507 0.068 . 296 233 39 TYR CB C 37.401 0.081 . 297 233 39 TYR CD1 C 133.063 0.033 . 298 233 39 TYR CD2 C 133.063 0.033 . 299 233 39 TYR CE1 C 117.948 0.050 . 300 233 39 TYR CE2 C 117.948 0.050 . 301 233 39 TYR N N 117.266 0.051 . 302 234 40 ILE H H 7.085 0.007 . 303 234 40 ILE HA H 3.836 0.007 . 304 234 40 ILE HB H 1.850 0.011 . 305 234 40 ILE HG12 H 1.472 0.010 . 306 234 40 ILE HG13 H 1.208 0.010 . 307 234 40 ILE HG2 H 0.812 0.012 . 308 234 40 ILE HD1 H 0.761 0.011 . 309 234 40 ILE CA C 61.532 0.059 . 310 234 40 ILE CB C 38.418 0.036 . 311 234 40 ILE CG1 C 27.749 0.042 . 312 234 40 ILE CG2 C 17.261 0.030 . 313 234 40 ILE CD1 C 12.038 0.023 . 314 234 40 ILE N N 116.232 0.046 . 315 235 41 LYS H H 7.907 0.012 . 316 235 41 LYS HA H 3.742 0.013 . 317 235 41 LYS HB2 H 1.320 0.013 . 318 235 41 LYS HB3 H 1.116 0.012 . 319 235 41 LYS HG2 H 1.100 0.011 . 320 235 41 LYS HG3 H 0.551 0.011 . 321 235 41 LYS HD2 H 1.507 0.008 . 322 235 41 LYS HD3 H 1.361 0.010 . 323 235 41 LYS HE2 H 2.779 0.008 . 324 235 41 LYS HE3 H 2.779 0.008 . 325 235 41 LYS CA C 58.045 0.088 . 326 235 41 LYS CB C 34.395 0.082 . 327 235 41 LYS CG C 24.869 0.093 . 328 235 41 LYS CD C 30.329 0.058 . 329 235 41 LYS CE C 41.799 0.047 . 330 235 41 LYS N N 119.730 0.039 . 331 236 42 HIS H H 7.310 0.008 . 332 236 42 HIS HA H 5.137 0.011 . 333 236 42 HIS HB2 H 3.206 0.012 . 334 236 42 HIS HB3 H 2.803 0.008 . 335 236 42 HIS HD2 H 7.046 0.010 . 336 236 42 HIS HE1 H 7.880 0.003 . 337 236 42 HIS CA C 52.211 0.102 . 338 236 42 HIS CB C 27.960 0.099 . 339 236 42 HIS CD2 C 119.412 0.229 . 340 236 42 HIS N N 113.320 0.045 . 341 237 43 PRO HA H 4.441 0.008 . 342 237 43 PRO HB2 H 1.727 0.014 . 343 237 43 PRO HB3 H 2.180 0.014 . 344 237 43 PRO HG2 H 1.863 0.011 . 345 237 43 PRO HG3 H 1.460 0.006 . 346 237 43 PRO HD2 H 3.567 0.015 . 347 237 43 PRO HD3 H 3.271 0.007 . 348 237 43 PRO CA C 64.494 0.042 . 349 237 43 PRO CB C 32.032 0.082 . 350 237 43 PRO CG C 26.734 0.052 . 351 237 43 PRO CD C 50.277 0.091 . 352 238 44 HIS H H 8.486 0.011 . 353 238 44 HIS HA H 4.796 0.004 . 354 238 44 HIS HB2 H 3.287 0.007 . 355 238 44 HIS HB3 H 3.139 0.009 . 356 238 44 HIS CA C 55.609 0.055 . 357 238 44 HIS CB C 29.851 0.071 . 358 238 44 HIS N N 116.641 0.045 . 359 239 45 LEU H H 7.011 0.007 . 360 239 45 LEU HA H 4.237 0.009 . 361 239 45 LEU HB2 H 1.502 0.010 . 362 239 45 LEU HB3 H 1.643 0.007 . 363 239 45 LEU HG H 1.527 0.008 . 364 239 45 LEU HD1 H 0.768 0.008 . 365 239 45 LEU HD2 H 0.680 0.012 . 366 239 45 LEU CA C 54.840 0.047 . 367 239 45 LEU CB C 43.022 0.084 . 368 239 45 LEU CG C 26.618 0.101 . 369 239 45 LEU CD1 C 25.006 0.096 . 370 239 45 LEU CD2 C 24.885 0.044 . 371 239 45 LEU N N 122.240 0.041 . 372 240 46 PHE H H 9.304 0.006 . 373 240 46 PHE HA H 3.975 0.013 . 374 240 46 PHE HB2 H 2.583 0.009 . 375 240 46 PHE HB3 H 2.455 0.009 . 376 240 46 PHE HD1 H 6.864 0.009 . 377 240 46 PHE HD2 H 6.864 0.009 . 378 240 46 PHE HE1 H 7.192 0.010 . 379 240 46 PHE HE2 H 7.192 0.010 . 380 240 46 PHE HZ H 7.225 0.009 . 381 240 46 PHE CA C 59.793 0.086 . 382 240 46 PHE CB C 38.014 0.075 . 383 240 46 PHE CD1 C 129.125 0.049 . 384 240 46 PHE CD2 C 129.125 0.049 . 385 240 46 PHE CE1 C 131.306 0.041 . 386 240 46 PHE CE2 C 131.306 0.041 . 387 240 46 PHE CZ C 129.036 0.020 . 388 240 46 PHE N N 128.371 0.055 . 389 241 47 LYS H H 6.755 0.007 . 390 241 47 LYS HA H 4.583 0.009 . 391 241 47 LYS HB2 H 1.074 0.013 . 392 241 47 LYS HB3 H 1.336 0.013 . 393 241 47 LYS HG2 H 1.202 0.011 . 394 241 47 LYS HG3 H 0.663 0.008 . 395 241 47 LYS HD2 H 1.025 0.006 . 396 241 47 LYS HD3 H 1.025 0.006 . 397 241 47 LYS HE2 H 2.151 0.008 . 398 241 47 LYS HE3 H 2.151 0.008 . 399 241 47 LYS CA C 53.883 0.118 . 400 241 47 LYS CB C 35.681 0.091 . 401 241 47 LYS CG C 22.428 0.124 . 402 241 47 LYS CD C 29.753 0.094 . 403 241 47 LYS CE C 41.365 0.102 . 404 241 47 LYS N N 121.273 0.056 . 405 242 48 TYR H H 8.494 0.005 . 406 242 48 TYR HA H 4.269 0.009 . 407 242 48 TYR HB2 H 2.746 0.011 . 408 242 48 TYR HB3 H 2.590 0.012 . 409 242 48 TYR HD1 H 6.522 0.010 . 410 242 48 TYR HD2 H 6.522 0.010 . 411 242 48 TYR HE1 H 6.463 0.002 . 412 242 48 TYR HE2 H 6.463 0.002 . 413 242 48 TYR CA C 55.535 0.095 . 414 242 48 TYR CB C 42.003 0.029 . 415 242 48 TYR CD1 C 133.264 0.075 . 416 242 48 TYR CD2 C 133.264 0.075 . 417 242 48 TYR CE1 C 118.025 0.085 . 418 242 48 TYR CE2 C 118.025 0.085 . 419 242 48 TYR N N 122.918 0.038 . 420 243 49 ALA H H 7.526 0.009 . 421 243 49 ALA HA H 3.852 0.013 . 422 243 49 ALA HB H 0.758 0.014 . 423 243 49 ALA CA C 50.556 0.131 . 424 243 49 ALA CB C 17.793 0.063 . 425 243 49 ALA N N 131.865 0.055 . 426 244 50 ALA H H 7.647 0.009 . 427 244 50 ALA HA H 4.242 0.009 . 428 244 50 ALA HB H 1.138 0.012 . 429 244 50 ALA CA C 51.663 0.075 . 430 244 50 ALA CB C 19.037 0.133 . 431 244 50 ALA N N 126.294 0.054 . 432 245 51 ASP H H 9.593 0.006 . 433 245 51 ASP HA H 4.705 0.015 . 434 245 51 ASP HB2 H 2.633 0.012 . 435 245 51 ASP HB3 H 3.332 0.007 . 436 245 51 ASP CA C 52.393 0.047 . 437 245 51 ASP CB C 39.304 0.067 . 438 245 51 ASP N N 128.853 0.055 . 439 246 52 PRO HA H 4.074 0.008 . 440 246 52 PRO HB2 H 1.814 0.014 . 441 246 52 PRO HB3 H 2.329 0.011 . 442 246 52 PRO HD2 H 3.618 0.049 . 443 246 52 PRO CA C 67.122 0.033 . 444 246 52 PRO CB C 31.990 0.038 . 445 246 52 PRO CD C 50.565 0.141 . 446 247 53 GLN H H 7.808 0.005 . 447 247 53 GLN HA H 4.107 0.012 . 448 247 53 GLN HB2 H 2.156 0.013 . 449 247 53 GLN HB3 H 2.024 0.007 . 450 247 53 GLN HG2 H 2.188 0.012 . 451 247 53 GLN HG3 H 2.188 0.012 . 452 247 53 GLN CA C 58.965 0.041 . 453 247 53 GLN CB C 28.306 0.075 . 454 247 53 GLN CG C 34.168 0.048 . 455 247 53 GLN N N 119.967 0.026 . 456 248 54 ASP H H 8.960 0.006 . 457 248 54 ASP HA H 4.693 0.009 . 458 248 54 ASP HB2 H 3.233 0.015 . 459 248 54 ASP HB3 H 2.744 0.010 . 460 248 54 ASP CA C 57.904 0.079 . 461 248 54 ASP CB C 41.358 0.115 . 462 248 54 ASP N N 125.635 0.043 . 463 249 55 LYS H H 9.137 0.007 . 464 249 55 LYS HA H 3.852 0.006 . 465 249 55 LYS HB2 H 1.790 0.004 . 466 249 55 LYS HB3 H 1.790 0.004 . 467 249 55 LYS CA C 60.442 0.068 . 468 249 55 LYS CB C 32.602 0.070 . 469 249 55 LYS N N 117.913 0.062 . 470 250 56 HIS H H 7.995 0.006 . 471 250 56 HIS HA H 4.277 0.009 . 472 250 56 HIS HB2 H 3.284 0.010 . 473 250 56 HIS HB3 H 3.418 0.009 . 474 250 56 HIS HD2 H 7.173 0.006 . 475 250 56 HIS HE1 H 8.065 0.011 . 476 250 56 HIS CA C 62.401 0.200 . 477 250 56 HIS CB C 29.121 0.061 . 478 250 56 HIS CD2 C 119.992 0.172 . 479 250 56 HIS CE1 C 138.223 0.200 . 480 250 56 HIS N N 118.898 0.074 . 481 251 57 TRP H H 7.796 0.007 . 482 251 57 TRP HA H 4.146 0.009 . 483 251 57 TRP HB2 H 3.708 0.010 . 484 251 57 TRP HB3 H 3.708 0.010 . 485 251 57 TRP HD1 H 7.181 0.012 . 486 251 57 TRP HE1 H 10.242 0.005 . 487 251 57 TRP HE3 H 7.284 0.002 . 488 251 57 TRP HZ2 H 7.238 0.006 . 489 251 57 TRP HZ3 H 6.954 0.007 . 490 251 57 TRP HH2 H 7.059 0.006 . 491 251 57 TRP CA C 62.942 0.031 . 492 251 57 TRP CB C 29.154 0.056 . 493 251 57 TRP CD1 C 126.948 0.200 . 494 251 57 TRP CE3 C 122.592 0.032 . 495 251 57 TRP CZ2 C 115.267 0.063 . 496 251 57 TRP CZ3 C 120.672 0.154 . 497 251 57 TRP CH2 C 125.127 0.044 . 498 251 57 TRP N N 120.654 0.098 . 499 251 57 TRP NE1 N 129.580 0.200 . 500 252 58 LEU H H 8.777 0.005 . 501 252 58 LEU HA H 3.479 0.011 . 502 252 58 LEU HB2 H 1.099 0.009 . 503 252 58 LEU HB3 H 2.115 0.004 . 504 252 58 LEU HG H 2.203 0.004 . 505 252 58 LEU HD1 H 0.827 0.004 . 506 252 58 LEU HD2 H 0.950 0.007 . 507 252 58 LEU CA C 58.351 0.040 . 508 252 58 LEU CB C 42.833 0.021 . 509 252 58 LEU CG C 27.815 0.045 . 510 252 58 LEU CD1 C 25.880 0.063 . 511 252 58 LEU CD2 C 25.026 0.029 . 512 252 58 LEU N N 117.739 0.049 . 513 253 59 ALA H H 8.182 0.005 . 514 253 59 ALA HA H 3.670 0.014 . 515 253 59 ALA HB H 1.279 0.011 . 516 253 59 ALA CA C 54.242 0.039 . 517 253 59 ALA CB C 18.356 0.114 . 518 253 59 ALA N N 120.418 0.085 . 519 254 60 GLU H H 8.157 0.007 . 520 254 60 GLU HA H 3.595 0.014 . 521 254 60 GLU HB2 H 1.782 0.009 . 522 254 60 GLU HB3 H 1.782 0.009 . 523 254 60 GLU HG2 H 1.990 0.010 . 524 254 60 GLU HG3 H 1.878 0.008 . 525 254 60 GLU CA C 59.031 0.069 . 526 254 60 GLU CB C 29.477 0.018 . 527 254 60 GLU CG C 36.609 0.065 . 528 254 60 GLU N N 122.716 0.054 . 529 255 61 GLN H H 8.019 0.009 . 530 255 61 GLN HA H 4.005 0.019 . 531 255 61 GLN HB2 H 2.252 0.004 . 532 255 61 GLN HB3 H 2.038 0.020 . 533 255 61 GLN HG2 H 2.433 0.005 . 534 255 61 GLN HG3 H 2.433 0.005 . 535 255 61 GLN CA C 59.246 0.139 . 536 255 61 GLN CB C 29.680 0.050 . 537 255 61 GLN CG C 36.347 0.033 . 538 255 61 GLN N N 117.276 0.039 . 539 256 62 HIS H H 7.175 0.009 . 540 256 62 HIS HA H 3.488 0.014 . 541 256 62 HIS HB2 H 1.366 0.013 . 542 256 62 HIS HB3 H 0.489 0.007 . 543 256 62 HIS HD2 H 6.687 0.003 . 544 256 62 HIS HE1 H 8.017 0.008 . 545 256 62 HIS CA C 53.970 0.111 . 546 256 62 HIS CB C 27.474 0.066 . 547 256 62 HIS CD2 C 118.189 0.200 . 548 256 62 HIS CE1 C 139.168 0.168 . 549 256 62 HIS N N 113.021 0.052 . 550 257 63 HIS H H 7.230 0.007 . 551 257 63 HIS HA H 4.010 0.010 . 552 257 63 HIS HB2 H 3.177 0.008 . 553 257 63 HIS HB3 H 3.177 0.008 . 554 257 63 HIS CA C 56.480 0.140 . 555 257 63 HIS CB C 25.323 0.102 . 556 257 63 HIS N N 109.364 0.067 . 557 258 64 MET H H 7.945 0.003 . 558 258 64 MET HA H 4.593 0.008 . 559 258 64 MET HB2 H 2.656 0.013 . 560 258 64 MET HB3 H 2.380 0.009 . 561 258 64 MET CA C 56.782 0.094 . 562 258 64 MET CB C 30.992 0.016 . 563 258 64 MET N N 116.266 0.068 . 564 260 66 ALA HA H 4.223 0.012 . 565 260 66 ALA HB H 1.256 0.008 . 566 260 66 ALA CA C 52.374 0.077 . 567 260 66 ALA CB C 19.248 0.114 . 568 261 67 THR H H 8.403 0.005 . 569 261 67 THR CA C 66.827 0.200 . 570 261 67 THR CB C 69.976 0.200 . 571 261 67 THR N N 119.662 0.050 . 572 265 71 MET CA C 54.570 0.062 . 573 265 71 MET CB C 31.959 0.033 . 574 266 72 ALA H H 8.283 0.007 . 575 266 72 ALA HA H 4.577 0.009 . 576 266 72 ALA HB H 1.024 0.020 . 577 266 72 ALA CA C 51.300 0.077 . 578 266 72 ALA CB C 20.857 0.068 . 579 266 72 ALA N N 126.759 0.069 . 580 267 73 TYR H H 8.303 0.006 . 581 267 73 TYR HA H 5.356 0.005 . 582 267 73 TYR HB2 H 2.536 0.013 . 583 267 73 TYR HB3 H 2.721 0.011 . 584 267 73 TYR HD1 H 6.528 0.004 . 585 267 73 TYR HD2 H 6.528 0.004 . 586 267 73 TYR HE1 H 6.356 0.006 . 587 267 73 TYR HE2 H 6.356 0.006 . 588 267 73 TYR CA C 56.633 0.065 . 589 267 73 TYR CB C 41.965 0.088 . 590 267 73 TYR CD1 C 133.102 0.050 . 591 267 73 TYR CD2 C 133.102 0.050 . 592 267 73 TYR CE1 C 117.690 0.086 . 593 267 73 TYR CE2 C 117.690 0.086 . 594 267 73 TYR N N 119.689 0.033 . 595 268 74 LEU H H 9.471 0.006 . 596 268 74 LEU HA H 5.292 0.012 . 597 268 74 LEU HB2 H 1.862 0.015 . 598 268 74 LEU HB3 H 1.279 0.013 . 599 268 74 LEU HG H 1.686 0.005 . 600 268 74 LEU HD1 H 0.867 0.013 . 601 268 74 LEU HD2 H 1.029 0.007 . 602 268 74 LEU CA C 53.855 0.083 . 603 268 74 LEU CB C 44.900 0.081 . 604 268 74 LEU CG C 27.998 0.070 . 605 268 74 LEU CD1 C 26.460 0.065 . 606 268 74 LEU CD2 C 25.408 0.057 . 607 268 74 LEU N N 121.456 0.073 . 608 269 75 LEU H H 9.042 0.011 . 609 269 75 LEU HA H 4.926 0.008 . 610 269 75 LEU HB2 H 1.906 0.010 . 611 269 75 LEU HB3 H 1.110 0.010 . 612 269 75 LEU HG H 1.930 0.003 . 613 269 75 LEU HD1 H 0.886 0.015 . 614 269 75 LEU HD2 H 0.846 0.020 . 615 269 75 LEU CA C 53.734 0.074 . 616 269 75 LEU CB C 44.471 0.089 . 617 269 75 LEU CG C 28.734 0.055 . 618 269 75 LEU CD1 C 27.221 0.044 . 619 269 75 LEU N N 121.078 0.072 . 620 270 76 ILE H H 9.927 0.006 . 621 270 76 ILE HA H 3.564 0.010 . 622 270 76 ILE HB H 1.663 0.011 . 623 270 76 ILE HG12 H 1.708 0.007 . 624 270 76 ILE HG13 H 0.518 0.015 . 625 270 76 ILE HG2 H 0.618 0.011 . 626 270 76 ILE HD1 H 0.486 0.012 . 627 270 76 ILE CA C 62.260 0.086 . 628 270 76 ILE CB C 38.165 0.067 . 629 270 76 ILE CG1 C 29.132 0.099 . 630 270 76 ILE CG2 C 18.517 0.025 . 631 270 76 ILE CD1 C 13.369 0.042 . 632 270 76 ILE N N 124.121 0.067 . 633 271 77 GLU H H 8.517 0.007 . 634 271 77 GLU HA H 3.314 0.010 . 635 271 77 GLU HB2 H 1.941 0.010 . 636 271 77 GLU HB3 H 1.245 0.014 . 637 271 77 GLU HG2 H 1.964 0.014 . 638 271 77 GLU HG3 H 1.826 0.009 . 639 271 77 GLU CA C 60.851 0.096 . 640 271 77 GLU CB C 28.291 0.091 . 641 271 77 GLU CG C 35.583 0.036 . 642 271 77 GLU N N 130.323 0.048 . 643 272 78 GLU H H 8.812 0.006 . 644 272 78 GLU HA H 3.684 0.012 . 645 272 78 GLU HB2 H 1.583 0.010 . 646 272 78 GLU HB3 H 1.861 0.009 . 647 272 78 GLU HG2 H 2.147 0.011 . 648 272 78 GLU HG3 H 2.038 0.009 . 649 272 78 GLU CA C 59.172 0.082 . 650 272 78 GLU CB C 30.137 0.068 . 651 272 78 GLU CG C 35.381 0.124 . 652 272 78 GLU N N 118.934 0.046 . 653 273 79 ASP H H 6.837 0.007 . 654 273 79 ASP HA H 4.244 0.011 . 655 273 79 ASP HB2 H 3.024 0.011 . 656 273 79 ASP HB3 H 2.478 0.012 . 657 273 79 ASP CA C 57.165 0.138 . 658 273 79 ASP CB C 39.678 0.040 . 659 273 79 ASP N N 116.338 0.048 . 660 274 80 ILE H H 7.366 0.007 . 661 274 80 ILE HA H 3.624 0.011 . 662 274 80 ILE HB H 2.104 0.011 . 663 274 80 ILE HG12 H 1.688 0.010 . 664 274 80 ILE HG13 H 0.927 0.015 . 665 274 80 ILE HG2 H 0.672 0.012 . 666 274 80 ILE HD1 H 0.502 0.010 . 667 274 80 ILE CA C 61.129 0.049 . 668 274 80 ILE CB C 34.519 0.055 . 669 274 80 ILE CG1 C 26.546 0.050 . 670 274 80 ILE CG2 C 18.109 0.077 . 671 274 80 ILE CD1 C 9.466 0.040 . 672 274 80 ILE N N 119.737 0.038 . 673 275 81 ARG H H 8.183 0.006 . 674 275 81 ARG HA H 3.771 0.010 . 675 275 81 ARG HB2 H 1.784 0.006 . 676 275 81 ARG HB3 H 1.625 0.012 . 677 275 81 ARG HG2 H 1.869 0.013 . 678 275 81 ARG HG3 H 1.869 0.013 . 679 275 81 ARG HD2 H 3.079 0.011 . 680 275 81 ARG HD3 H 3.130 0.015 . 681 275 81 ARG HE H 7.220 0.001 . 682 275 81 ARG CA C 60.470 0.079 . 683 275 81 ARG CB C 28.523 0.090 . 684 275 81 ARG CG C 30.500 0.108 . 685 275 81 ARG CD C 43.388 0.023 . 686 275 81 ARG N N 120.418 0.039 . 687 275 81 ARG NE N 90.914 0.029 . 688 276 82 ASP H H 8.272 0.006 . 689 276 82 ASP HA H 4.296 0.009 . 690 276 82 ASP HB2 H 2.693 0.010 . 691 276 82 ASP HB3 H 2.514 0.018 . 692 276 82 ASP CA C 57.347 0.068 . 693 276 82 ASP CB C 40.097 0.067 . 694 276 82 ASP N N 120.118 0.054 . 695 277 83 LEU H H 7.404 0.007 . 696 277 83 LEU HA H 4.019 0.010 . 697 277 83 LEU HB2 H 1.268 0.011 . 698 277 83 LEU HB3 H 1.699 0.007 . 699 277 83 LEU HG H 1.527 0.012 . 700 277 83 LEU HD1 H 0.396 0.014 . 701 277 83 LEU HD2 H 0.396 0.014 . 702 277 83 LEU CA C 57.869 0.062 . 703 277 83 LEU CB C 41.844 0.037 . 704 277 83 LEU CG C 25.999 0.078 . 705 277 83 LEU CD1 C 24.203 0.101 . 706 277 83 LEU CD2 C 23.813 0.069 . 707 277 83 LEU N N 121.174 0.080 . 708 278 84 ALA H H 8.246 0.005 . 709 278 84 ALA HA H 3.671 0.011 . 710 278 84 ALA HB H 1.277 0.013 . 711 278 84 ALA CA C 54.747 0.056 . 712 278 84 ALA CB C 18.800 0.107 . 713 278 84 ALA N N 121.717 0.043 . 714 279 85 ALA H H 7.095 0.007 . 715 279 85 ALA HA H 4.342 0.011 . 716 279 85 ALA HB H 1.417 0.010 . 717 279 85 ALA CA C 51.666 0.107 . 718 279 85 ALA CB C 19.127 0.137 . 719 279 85 ALA N N 116.194 0.062 . 720 280 86 SER H H 7.841 0.006 . 721 280 86 SER HA H 4.539 0.013 . 722 280 86 SER HB2 H 4.327 0.011 . 723 280 86 SER HB3 H 4.261 0.013 . 724 280 86 SER CA C 58.587 0.106 . 725 280 86 SER CB C 65.688 0.083 . 726 280 86 SER N N 116.560 0.043 . 727 281 87 ASP H H 9.053 0.008 . 728 281 87 ASP HA H 4.272 0.009 . 729 281 87 ASP HB2 H 2.652 0.016 . 730 281 87 ASP HB3 H 2.652 0.016 . 731 281 87 ASP CA C 57.580 0.103 . 732 281 87 ASP CB C 40.347 0.058 . 733 281 87 ASP N N 121.168 0.039 . 734 282 88 ASP H H 7.818 0.008 . 735 282 88 ASP HA H 4.208 0.011 . 736 282 88 ASP HB2 H 2.284 0.006 . 737 282 88 ASP HB3 H 2.139 0.010 . 738 282 88 ASP CA C 56.730 0.103 . 739 282 88 ASP CB C 41.668 0.029 . 740 282 88 ASP N N 116.739 0.051 . 741 283 89 TYR H H 7.125 0.009 . 742 283 89 TYR HA H 4.611 0.012 . 743 283 89 TYR HB2 H 2.788 0.011 . 744 283 89 TYR HB3 H 3.236 0.013 . 745 283 89 TYR HD1 H 7.014 0.009 . 746 283 89 TYR HD2 H 7.014 0.009 . 747 283 89 TYR HE1 H 6.844 0.003 . 748 283 89 TYR HE2 H 6.844 0.003 . 749 283 89 TYR CA C 59.294 0.057 . 750 283 89 TYR CB C 41.159 0.064 . 751 283 89 TYR CD1 C 134.047 0.047 . 752 283 89 TYR CD2 C 134.047 0.047 . 753 283 89 TYR CE1 C 118.469 0.074 . 754 283 89 TYR CE2 C 118.469 0.074 . 755 283 89 TYR N N 114.254 0.066 . 756 284 90 ARG H H 7.913 0.006 . 757 284 90 ARG HA H 4.122 0.022 . 758 284 90 ARG CA C 59.059 0.096 . 759 284 90 ARG CB C 29.806 0.091 . 760 284 90 ARG CG C 28.747 0.200 . 761 284 90 ARG N N 120.953 0.049 . 762 285 91 GLY H H 8.851 0.009 . 763 285 91 GLY HA2 H 3.877 0.014 . 764 285 91 GLY HA3 H 3.877 0.014 . 765 285 91 GLY CA C 44.842 0.096 . 766 285 91 GLY N N 111.658 0.050 . 767 286 92 CYS H H 7.936 0.005 . 768 286 92 CYS HA H 4.326 0.011 . 769 286 92 CYS HB2 H 3.226 0.010 . 770 286 92 CYS HB3 H 3.031 0.010 . 771 286 92 CYS CA C 59.520 0.107 . 772 286 92 CYS CB C 27.590 0.140 . 773 286 92 CYS N N 120.288 0.039 . 774 287 93 LEU H H 8.957 0.011 . 775 287 93 LEU HA H 4.304 0.012 . 776 287 93 LEU HB2 H 1.661 0.008 . 777 287 93 LEU HB3 H 1.661 0.008 . 778 287 93 LEU HG H 1.728 0.011 . 779 287 93 LEU HD1 H 0.901 0.011 . 780 287 93 LEU HD2 H 0.830 0.011 . 781 287 93 LEU CA C 56.207 0.079 . 782 287 93 LEU CB C 41.657 0.045 . 783 287 93 LEU CG C 26.998 0.060 . 784 287 93 LEU CD1 C 25.015 0.082 . 785 287 93 LEU CD2 C 22.690 0.030 . 786 287 93 LEU N N 129.118 0.055 . 787 288 94 ASP H H 8.088 0.006 . 788 288 94 ASP HA H 4.713 0.007 . 789 288 94 ASP HB2 H 2.872 0.008 . 790 288 94 ASP HB3 H 2.484 0.012 . 791 288 94 ASP CA C 53.918 0.059 . 792 288 94 ASP CB C 41.662 0.051 . 793 288 94 ASP N N 118.064 0.039 . 794 289 95 LEU H H 7.210 0.005 . 795 289 95 LEU HA H 4.119 0.013 . 796 289 95 LEU HB2 H 1.755 0.010 . 797 289 95 LEU HB3 H 1.473 0.010 . 798 289 95 LEU HG H 1.725 0.012 . 799 289 95 LEU HD1 H 0.981 0.011 . 800 289 95 LEU HD2 H 0.852 0.013 . 801 289 95 LEU CA C 55.881 0.085 . 802 289 95 LEU CB C 42.477 0.087 . 803 289 95 LEU CG C 27.114 0.047 . 804 289 95 LEU CD1 C 25.604 0.057 . 805 289 95 LEU CD2 C 23.976 0.060 . 806 289 95 LEU N N 119.059 0.105 . 807 290 96 LYS H H 8.975 0.005 . 808 290 96 LYS HA H 4.783 0.009 . 809 290 96 LYS HB2 H 1.607 0.006 . 810 290 96 LYS HB3 H 1.798 0.020 . 811 290 96 LYS HG2 H 1.322 0.003 . 812 290 96 LYS HG3 H 1.379 0.010 . 813 290 96 LYS HD2 H 1.663 0.020 . 814 290 96 LYS HD3 H 1.593 0.012 . 815 290 96 LYS HE2 H 2.945 0.002 . 816 290 96 LYS HE3 H 2.945 0.002 . 817 290 96 LYS CA C 54.063 0.092 . 818 290 96 LYS CB C 33.425 0.086 . 819 290 96 LYS CG C 24.527 0.138 . 820 290 96 LYS CD C 29.130 0.040 . 821 290 96 LYS CE C 42.123 0.034 . 822 290 96 LYS N N 126.314 0.097 . 823 291 97 LEU H H 8.688 0.010 . 824 291 97 LEU HA H 3.789 0.011 . 825 291 97 LEU HB2 H 1.727 0.013 . 826 291 97 LEU HB3 H 1.421 0.011 . 827 291 97 LEU HG H 1.639 0.010 . 828 291 97 LEU HD1 H 0.787 0.013 . 829 291 97 LEU HD2 H 0.599 0.010 . 830 291 97 LEU CA C 57.885 0.063 . 831 291 97 LEU CB C 40.313 0.058 . 832 291 97 LEU CG C 27.456 0.068 . 833 291 97 LEU CD1 C 25.240 0.062 . 834 291 97 LEU CD2 C 22.466 0.059 . 835 291 97 LEU N N 122.606 0.065 . 836 292 98 GLU H H 9.717 0.009 . 837 292 98 GLU HA H 4.155 0.006 . 838 292 98 GLU HB2 H 1.999 0.013 . 839 292 98 GLU HB3 H 1.999 0.013 . 840 292 98 GLU HG2 H 2.305 0.009 . 841 292 98 GLU HG3 H 2.174 0.010 . 842 292 98 GLU CA C 58.700 0.078 . 843 292 98 GLU CB C 28.090 0.078 . 844 292 98 GLU CG C 36.017 0.115 . 845 292 98 GLU N N 120.112 0.071 . 846 293 99 GLU H H 7.808 0.007 . 847 293 99 GLU HA H 4.158 0.014 . 848 293 99 GLU HG2 H 2.274 0.019 . 849 293 99 GLU HG3 H 2.274 0.019 . 850 293 99 GLU CA C 56.458 0.150 . 851 293 99 GLU CB C 29.620 0.085 . 852 293 99 GLU CG C 36.337 0.073 . 853 293 99 GLU N N 117.408 0.081 . 854 294 100 LEU H H 7.530 0.011 . 855 294 100 LEU HA H 3.840 0.008 . 856 294 100 LEU HB2 H 1.377 0.017 . 857 294 100 LEU HB3 H 1.704 0.009 . 858 294 100 LEU HG H 1.587 0.009 . 859 294 100 LEU HD1 H 0.745 0.006 . 860 294 100 LEU HD2 H 0.595 0.003 . 861 294 100 LEU CA C 56.424 0.118 . 862 294 100 LEU CB C 40.885 0.150 . 863 294 100 LEU CG C 26.880 0.200 . 864 294 100 LEU CD1 C 25.552 0.104 . 865 294 100 LEU CD2 C 24.016 0.006 . 866 294 100 LEU N N 119.238 0.054 . 867 295 101 LYS H H 7.706 0.006 . 868 295 101 LYS HA H 3.859 0.020 . 869 295 101 LYS CA C 55.701 0.060 . 870 295 101 LYS CB C 31.985 0.077 . 871 295 101 LYS N N 119.805 0.037 . 872 296 102 SER H H 8.216 0.007 . 873 296 102 SER HA H 4.944 0.012 . 874 296 102 SER HB2 H 3.621 0.013 . 875 296 102 SER HB3 H 3.098 0.012 . 876 296 102 SER CA C 56.550 0.108 . 877 296 102 SER CB C 67.118 0.114 . 878 296 102 SER N N 116.965 0.039 . 879 297 103 PHE H H 8.093 0.009 . 880 297 103 PHE HA H 5.083 0.010 . 881 297 103 PHE HB2 H 3.147 0.013 . 882 297 103 PHE HB3 H 3.049 0.010 . 883 297 103 PHE HD1 H 6.876 0.009 . 884 297 103 PHE HD2 H 6.876 0.009 . 885 297 103 PHE HE1 H 7.751 0.008 . 886 297 103 PHE HE2 H 7.751 0.008 . 887 297 103 PHE HZ H 7.473 0.018 . 888 297 103 PHE CA C 55.237 0.081 . 889 297 103 PHE CB C 40.370 0.061 . 890 297 103 PHE CD1 C 133.530 0.034 . 891 297 103 PHE CD2 C 133.530 0.034 . 892 297 103 PHE CZ C 128.973 0.200 . 893 297 103 PHE N N 114.411 0.054 . 894 298 104 VAL H H 7.947 0.006 . 895 298 104 VAL HA H 4.988 0.008 . 896 298 104 VAL HB H 2.453 0.008 . 897 298 104 VAL HG1 H 0.853 0.012 . 898 298 104 VAL HG2 H 0.889 0.012 . 899 298 104 VAL CA C 60.051 0.076 . 900 298 104 VAL CB C 32.642 0.066 . 901 298 104 VAL CG1 C 21.926 0.024 . 902 298 104 VAL CG2 C 18.773 0.026 . 903 298 104 VAL N N 113.758 0.083 . 904 299 105 LEU H H 9.011 0.010 . 905 299 105 LEU HA H 4.575 0.007 . 906 299 105 LEU HB2 H 1.107 0.009 . 907 299 105 LEU HB3 H 0.732 0.010 . 908 299 105 LEU HG H 1.402 0.005 . 909 299 105 LEU HD1 H -0.328 0.012 . 910 299 105 LEU HD2 H 0.736 0.011 . 911 299 105 LEU CA C 51.300 0.024 . 912 299 105 LEU CB C 42.550 0.149 . 913 299 105 LEU CG C 26.416 0.096 . 914 299 105 LEU CD1 C 25.941 0.062 . 915 299 105 LEU CD2 C 22.895 0.004 . 916 299 105 LEU N N 120.460 0.074 . 917 300 106 PRO HA H 4.243 0.012 . 918 300 106 PRO HB2 H 0.361 0.009 . 919 300 106 PRO HB3 H 1.870 0.004 . 920 300 106 PRO HG2 H -0.235 0.007 . 921 300 106 PRO HG3 H 0.547 0.017 . 922 300 106 PRO HD2 H 2.005 0.010 . 923 300 106 PRO HD3 H 2.005 0.010 . 924 300 106 PRO CA C 61.087 0.050 . 925 300 106 PRO CB C 32.183 0.066 . 926 300 106 PRO CG C 27.138 0.113 . 927 300 106 PRO CD C 48.812 0.079 . 928 301 107 SER H H 8.960 0.007 . 929 301 107 SER HA H 3.901 0.012 . 930 301 107 SER HB2 H 3.788 0.008 . 931 301 107 SER HB3 H 3.788 0.008 . 932 301 107 SER CA C 61.875 0.086 . 933 301 107 SER CB C 61.980 0.200 . 934 301 107 SER N N 118.750 0.029 . 935 302 108 TRP H H 6.998 0.005 . 936 302 108 TRP HA H 4.368 0.011 . 937 302 108 TRP HB2 H 3.168 0.013 . 938 302 108 TRP HB3 H 3.380 0.013 . 939 302 108 TRP HD1 H 7.425 0.010 . 940 302 108 TRP HE1 H 10.418 0.009 . 941 302 108 TRP HE3 H 6.953 0.008 . 942 302 108 TRP HZ2 H 7.222 0.004 . 943 302 108 TRP CA C 57.292 0.069 . 944 302 108 TRP CB C 27.471 0.089 . 945 302 108 TRP CD1 C 128.588 0.013 . 946 302 108 TRP CE3 C 120.644 0.018 . 947 302 108 TRP N N 116.066 0.045 . 948 302 108 TRP NE1 N 131.803 0.029 . 949 303 109 MET H H 6.425 0.007 . 950 303 109 MET HA H 3.678 0.011 . 951 303 109 MET HB2 H 0.924 0.013 . 952 303 109 MET HB3 H 0.331 0.007 . 953 303 109 MET HG2 H 1.678 0.010 . 954 303 109 MET HG3 H 2.212 0.011 . 955 303 109 MET HE H 1.640 0.020 . 956 303 109 MET CA C 58.405 0.085 . 957 303 109 MET CB C 33.038 0.082 . 958 303 109 MET CG C 30.448 0.051 . 959 303 109 MET CE C 16.228 0.200 . 960 303 109 MET N N 124.169 0.045 . 961 304 110 VAL H H 7.239 0.006 . 962 304 110 VAL HA H 3.067 0.012 . 963 304 110 VAL HB H 1.813 0.012 . 964 304 110 VAL HG1 H 0.621 0.012 . 965 304 110 VAL HG2 H 0.585 0.011 . 966 304 110 VAL CA C 66.866 0.041 . 967 304 110 VAL CB C 31.255 0.063 . 968 304 110 VAL CG1 C 23.579 0.021 . 969 304 110 VAL CG2 C 21.869 0.070 . 970 304 110 VAL N N 119.950 0.034 . 971 305 111 GLU H H 7.904 0.009 . 972 305 111 GLU HA H 3.958 0.009 . 973 305 111 GLU HB2 H 1.974 0.016 . 974 305 111 GLU HB3 H 1.974 0.016 . 975 305 111 GLU HG2 H 2.270 0.012 . 976 305 111 GLU HG3 H 2.270 0.012 . 977 305 111 GLU CA C 59.412 0.054 . 978 305 111 GLU CB C 29.131 0.073 . 979 305 111 GLU CG C 35.692 0.040 . 980 305 111 GLU N N 117.250 0.035 . 981 306 112 LYS H H 6.897 0.008 . 982 306 112 LYS HA H 3.999 0.010 . 983 306 112 LYS HB2 H 1.986 0.008 . 984 306 112 LYS HB3 H 1.986 0.008 . 985 306 112 LYS HG2 H 2.075 0.007 . 986 306 112 LYS HG3 H 1.563 0.009 . 987 306 112 LYS HD2 H 2.092 0.008 . 988 306 112 LYS HD3 H 1.910 0.012 . 989 306 112 LYS HE2 H 3.103 0.011 . 990 306 112 LYS HE3 H 3.103 0.011 . 991 306 112 LYS CA C 60.017 0.085 . 992 306 112 LYS CB C 32.942 0.078 . 993 306 112 LYS CG C 25.536 0.045 . 994 306 112 LYS CD C 31.027 0.071 . 995 306 112 LYS CE C 41.230 0.054 . 996 306 112 LYS N N 118.513 0.030 . 997 307 113 MET H H 7.806 0.006 . 998 307 113 MET HA H 3.730 0.011 . 999 307 113 MET HB2 H 1.698 0.007 . 1000 307 113 MET HB3 H 1.698 0.007 . 1001 307 113 MET HG2 H 1.935 0.011 . 1002 307 113 MET HG3 H 1.269 0.009 . 1003 307 113 MET CA C 59.534 0.083 . 1004 307 113 MET CB C 33.298 0.033 . 1005 307 113 MET CG C 30.634 0.064 . 1006 307 113 MET N N 120.928 0.057 . 1007 308 114 ARG H H 8.591 0.006 . 1008 308 114 ARG HA H 3.756 0.015 . 1009 308 114 ARG CA C 60.608 0.045 . 1010 308 114 ARG CB C 30.457 0.084 . 1011 308 114 ARG N N 120.596 0.048 . 1012 309 115 LYS H H 7.772 0.007 . 1013 309 115 LYS HA H 4.066 0.009 . 1014 309 115 LYS HB2 H 1.930 0.011 . 1015 309 115 LYS HB3 H 1.930 0.011 . 1016 309 115 LYS HG2 H 1.618 0.009 . 1017 309 115 LYS HG3 H 1.506 0.010 . 1018 309 115 LYS HD2 H 1.684 0.014 . 1019 309 115 LYS HD3 H 1.684 0.014 . 1020 309 115 LYS HE2 H 2.953 0.012 . 1021 309 115 LYS HE3 H 2.953 0.012 . 1022 309 115 LYS CA C 58.934 0.099 . 1023 309 115 LYS CB C 31.896 0.057 . 1024 309 115 LYS CG C 25.120 0.071 . 1025 309 115 LYS CD C 28.745 0.042 . 1026 309 115 LYS CE C 41.868 0.033 . 1027 309 115 LYS N N 118.143 0.063 . 1028 310 116 TYR H H 8.025 0.006 . 1029 310 116 TYR HA H 4.557 0.009 . 1030 310 116 TYR HB2 H 3.571 0.013 . 1031 310 116 TYR HB3 H 3.425 0.011 . 1032 310 116 TYR HD1 H 7.374 0.012 . 1033 310 116 TYR HD2 H 7.374 0.012 . 1034 310 116 TYR HE1 H 6.971 0.003 . 1035 310 116 TYR HE2 H 6.971 0.003 . 1036 310 116 TYR CA C 60.832 0.094 . 1037 310 116 TYR CB C 38.254 0.045 . 1038 310 116 TYR CD1 C 133.547 0.031 . 1039 310 116 TYR CD2 C 133.547 0.031 . 1040 310 116 TYR CE1 C 119.243 0.121 . 1041 310 116 TYR CE2 C 119.243 0.121 . 1042 310 116 TYR N N 120.432 0.046 . 1043 311 117 MET H H 8.794 0.005 . 1044 311 117 MET HA H 3.817 0.011 . 1045 311 117 MET HB2 H 2.099 0.005 . 1046 311 117 MET HB3 H 2.027 0.014 . 1047 311 117 MET HG2 H 2.437 0.009 . 1048 311 117 MET HG3 H 2.252 0.009 . 1049 311 117 MET HE H 0.946 0.005 . 1050 311 117 MET CA C 59.949 0.056 . 1051 311 117 MET CB C 33.933 0.093 . 1052 311 117 MET CG C 32.798 0.074 . 1053 311 117 MET CE C 16.310 0.200 . 1054 311 117 MET N N 120.475 0.027 . 1055 312 118 GLU H H 8.125 0.007 . 1056 312 118 GLU HA H 3.991 0.007 . 1057 312 118 GLU HB2 H 2.226 0.011 . 1058 312 118 GLU HB3 H 2.106 0.008 . 1059 312 118 GLU HG2 H 2.414 0.007 . 1060 312 118 GLU HG3 H 2.245 0.006 . 1061 312 118 GLU CA C 59.320 0.086 . 1062 312 118 GLU CB C 29.773 0.042 . 1063 312 118 GLU CG C 36.329 0.082 . 1064 312 118 GLU N N 117.324 0.029 . 1065 313 119 THR H H 7.761 0.007 . 1066 313 119 THR HA H 4.204 0.012 . 1067 313 119 THR HB H 4.340 0.010 . 1068 313 119 THR HG2 H 1.395 0.011 . 1069 313 119 THR CA C 64.128 0.156 . 1070 313 119 THR CB C 69.653 0.045 . 1071 313 119 THR CG2 C 21.505 0.067 . 1072 313 119 THR N N 110.565 0.046 . 1073 314 120 LEU H H 7.413 0.007 . 1074 314 120 LEU HA H 4.207 0.010 . 1075 314 120 LEU HB2 H 1.448 0.012 . 1076 314 120 LEU HB3 H 1.791 0.006 . 1077 314 120 LEU HG H 1.470 0.010 . 1078 314 120 LEU HD1 H 0.830 0.009 . 1079 314 120 LEU HD2 H 0.711 0.010 . 1080 314 120 LEU CA C 55.376 0.054 . 1081 314 120 LEU CB C 42.182 0.075 . 1082 314 120 LEU CG C 26.467 0.103 . 1083 314 120 LEU CD1 C 25.581 0.071 . 1084 314 120 LEU CD2 C 22.394 0.039 . 1085 314 120 LEU N N 121.313 0.093 . 1086 315 121 ARG H H 7.588 0.008 . 1087 315 121 ARG HA H 4.302 0.011 . 1088 315 121 ARG HB2 H 1.860 0.013 . 1089 315 121 ARG HB3 H 1.952 0.012 . 1090 315 121 ARG HG2 H 1.715 0.010 . 1091 315 121 ARG HG3 H 1.715 0.010 . 1092 315 121 ARG HD2 H 3.220 0.011 . 1093 315 121 ARG HD3 H 3.220 0.011 . 1094 315 121 ARG HE H 7.799 0.010 . 1095 315 121 ARG CA C 56.298 0.092 . 1096 315 121 ARG CB C 31.009 0.074 . 1097 315 121 ARG CG C 26.873 0.021 . 1098 315 121 ARG CD C 43.669 0.018 . 1099 315 121 ARG N N 119.692 0.040 . 1100 315 121 ARG NE N 89.404 0.011 . 1101 316 122 THR H H 7.617 0.005 . 1102 316 122 THR HA H 4.078 0.011 . 1103 316 122 THR HB H 4.167 0.009 . 1104 316 122 THR HG2 H 1.114 0.010 . 1105 316 122 THR CA C 63.389 0.052 . 1106 316 122 THR CB C 70.635 0.052 . 1107 316 122 THR CG2 C 21.899 0.059 . 1108 316 122 THR N N 120.179 0.055 . stop_ save_