data_17006 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of alpha-mannosidase binding domain of Atg19 ; _BMRB_accession_number 17006 _BMRB_flat_file_name bmr17006.str _Entry_type original _Submission_date 2010-06-18 _Accession_date 2010-06-18 _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 Watanabe Yasunori . . 2 Noda 'Nobuo N' . . 3 Kumeta Hiroyuki . . 4 Suzuki Kuninori . . 5 Ohsumi Yoshinori . . 6 Inagaki Fuyuhiko . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 696 "13C chemical shifts" 491 "15N chemical shifts" 118 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-09-23 update BMRB 'update entry citation' 2010-08-12 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 17007 'Alpha-mannosidase binding domain of Atg34' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Selective Transport of {alpha}-Mannosidase by Autophagic Pathways: STRUCTURAL BASIS FOR CARGO RECOGNITION BY Atg19 AND Atg34.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20659891 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Watanabe Yasunori . . 2 Noda Nobuo N. . 3 Kumeta Hiroyuki . . 4 Suzuki Kuninori . . 5 Ohsumi Yoshinori . . 6 Inagaki Fuyuhiko . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 285 _Journal_issue 39 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 30026 _Page_last 30033 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Atg19 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Atg19 $Atg19 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_Atg19 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Atg19 _Molecular_mass 12965.639 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 118 _Mol_residue_sequence ; GPHMVEPPNERSLQITMNQR DNSLYFQLFNNTNSVLAGNC KLKFTDAGDKPTTQIIDMGP HEIGIKEYKEYRYFPYALDL EAGSTIEIENQYGEVIFLGK YGSSPMINLRPPSRLSAE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 248 GLY 2 249 PRO 3 250 HIS 4 251 MET 5 252 VAL 6 253 GLU 7 254 PRO 8 255 PRO 9 256 ASN 10 257 GLU 11 258 ARG 12 259 SER 13 260 LEU 14 261 GLN 15 262 ILE 16 263 THR 17 264 MET 18 265 ASN 19 266 GLN 20 267 ARG 21 268 ASP 22 269 ASN 23 270 SER 24 271 LEU 25 272 TYR 26 273 PHE 27 274 GLN 28 275 LEU 29 276 PHE 30 277 ASN 31 278 ASN 32 279 THR 33 280 ASN 34 281 SER 35 282 VAL 36 283 LEU 37 284 ALA 38 285 GLY 39 286 ASN 40 287 CYS 41 288 LYS 42 289 LEU 43 290 LYS 44 291 PHE 45 292 THR 46 293 ASP 47 294 ALA 48 295 GLY 49 296 ASP 50 297 LYS 51 298 PRO 52 299 THR 53 300 THR 54 301 GLN 55 302 ILE 56 303 ILE 57 304 ASP 58 305 MET 59 306 GLY 60 307 PRO 61 308 HIS 62 309 GLU 63 310 ILE 64 311 GLY 65 312 ILE 66 313 LYS 67 314 GLU 68 315 TYR 69 316 LYS 70 317 GLU 71 318 TYR 72 319 ARG 73 320 TYR 74 321 PHE 75 322 PRO 76 323 TYR 77 324 ALA 78 325 LEU 79 326 ASP 80 327 LEU 81 328 GLU 82 329 ALA 83 330 GLY 84 331 SER 85 332 THR 86 333 ILE 87 334 GLU 88 335 ILE 89 336 GLU 90 337 ASN 91 338 GLN 92 339 TYR 93 340 GLY 94 341 GLU 95 342 VAL 96 343 ILE 97 344 PHE 98 345 LEU 99 346 GLY 100 347 LYS 101 348 TYR 102 349 GLY 103 350 SER 104 351 SER 105 352 PRO 106 353 MET 107 354 ILE 108 355 ASN 109 356 LEU 110 357 ARG 111 358 PRO 112 359 PRO 113 360 SER 114 361 ARG 115 362 LEU 116 363 SER 117 364 ALA 118 365 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2KZB "Solution Structure Of Alpha-mannosidase Binding Domain Of Atg19" 100.00 118 100.00 100.00 4.18e-81 DBJ GAA26246 "K7_Atg19p [Saccharomyces cerevisiae Kyokai no. 7]" 96.61 415 100.00 100.00 5.99e-75 EMBL CAA53201 "YOL01 [Saccharomyces cerevisiae]" 96.61 415 100.00 100.00 6.12e-75 EMBL CAA58199 "orf 00980 [Saccharomyces cerevisiae]" 96.61 415 100.00 100.00 6.12e-75 EMBL CAA99094 "unnamed protein product [Saccharomyces cerevisiae]" 96.61 415 100.00 100.00 6.12e-75 EMBL CAY86211 "Atg19p [Saccharomyces cerevisiae EC1118]" 96.61 415 100.00 100.00 8.09e-75 GB AAT93193 "YOL082W [Saccharomyces cerevisiae]" 96.61 415 100.00 100.00 6.12e-75 GB AHY77232 "Atg19p [Saccharomyces cerevisiae YJM993]" 96.61 415 100.00 100.00 8.09e-75 GB AJP41464 "Atg19p [Saccharomyces cerevisiae YJM1078]" 96.61 415 100.00 100.00 8.09e-75 GB AJT70883 "Atg19p [Saccharomyces cerevisiae YJM189]" 96.61 415 100.00 100.00 7.11e-75 GB AJT71374 "Atg19p [Saccharomyces cerevisiae YJM193]" 96.61 415 100.00 100.00 8.00e-75 REF NP_014559 "Atg19p [Saccharomyces cerevisiae S288c]" 96.61 415 100.00 100.00 6.12e-75 SP A6ZNC8 "RecName: Full=Autophagy-related protein 19; AltName: Full=Cytoplasm-to-vacuole targeting protein 19" 96.61 415 99.12 100.00 2.32e-74 SP P35193 "RecName: Full=Autophagy-related protein 19; AltName: Full=Cytoplasm-to-vacuole targeting protein 19" 96.61 415 100.00 100.00 6.12e-75 TPG DAA10702 "TPA: Atg19p [Saccharomyces cerevisiae S288c]" 96.61 415 100.00 100.00 6.12e-75 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Atg19 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $Atg19 'recombinant technology' . Escherichia coli . pGEX-6p-1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 2 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_VNMR _Saveframe_category software _Name VNMR _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)HA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)HA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_(Hb)Cb(CgCd)Hd_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (Hb)Cb(CgCd)Hd' _Sample_label $sample_1 save_ save_2D_(Hb)Cb(CgCdCe)He_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (Hb)Cb(CgCdCe)He' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 . 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_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D HNCACB' '3D HBHA(CO)NH' '2D 1H-13C HSQC' '3D HCCH-TOCSY' '3D 1H-13C NOESY' '3D 1H-15N NOESY' '2D (Hb)Cb(CgCd)Hd' '2D (Hb)Cb(CgCdCe)He' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Atg19 _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 1 254 5 VAL H H 8.185 0.000 1 2 254 5 VAL HA H 4.095 0.000 1 3 254 5 VAL HB H 2.018 0.000 1 4 254 5 VAL C C 175.679 0.000 1 5 254 5 VAL CA C 62.061 0.000 1 6 254 5 VAL CB C 32.907 0.000 1 7 254 5 VAL N N 121.812 0.000 1 8 255 6 GLU H H 8.488 0.000 1 9 255 6 GLU HA H 4.583 0.000 1 10 255 6 GLU HB2 H 1.885 0.000 2 11 255 6 GLU HB3 H 2.010 0.000 2 12 255 6 GLU HG2 H 2.276 0.000 2 13 255 6 GLU HG3 H 2.302 0.000 2 14 255 6 GLU CA C 54.212 0.000 1 15 255 6 GLU CB C 29.839 0.000 1 16 255 6 GLU CG C 35.998 0.002 1 17 255 6 GLU N N 126.375 0.000 1 18 256 7 PRO HA H 4.678 0.000 1 19 256 7 PRO HB2 H 1.923 0.000 2 20 256 7 PRO HB3 H 2.350 0.000 2 21 256 7 PRO HD2 H 3.654 0.000 2 22 256 7 PRO HD3 H 3.825 0.000 2 23 256 7 PRO HG2 H 2.011 0.000 2 24 256 7 PRO HG3 H 2.070 0.000 2 25 256 7 PRO CA C 61.498 0.000 1 26 256 7 PRO CB C 30.906 0.002 1 27 256 7 PRO CD C 50.428 0.007 1 28 256 7 PRO CG C 27.453 0.000 1 29 257 8 PRO HA H 4.411 0.000 1 30 257 8 PRO HB2 H 1.931 0.000 2 31 257 8 PRO HB3 H 2.310 0.000 2 32 257 8 PRO HD2 H 3.668 0.000 2 33 257 8 PRO HD3 H 3.850 0.000 2 34 257 8 PRO HG2 H 2.020 0.000 2 35 257 8 PRO HG3 H 2.056 0.000 2 36 257 8 PRO C C 176.794 0.000 1 37 257 8 PRO CA C 63.279 0.000 1 38 257 8 PRO CB C 31.986 0.009 1 39 257 8 PRO CD C 50.617 0.002 1 40 257 8 PRO CG C 27.412 0.005 1 41 258 9 ASN H H 8.510 0.000 1 42 258 9 ASN HA H 4.671 0.000 1 43 258 9 ASN HB2 H 2.793 0.000 2 44 258 9 ASN HB3 H 2.820 0.000 2 45 258 9 ASN HD21 H 6.957 0.002 2 46 258 9 ASN HD22 H 7.640 0.000 2 47 258 9 ASN C C 175.143 0.000 1 48 258 9 ASN CA C 53.306 0.000 1 49 258 9 ASN CB C 38.867 0.000 1 50 258 9 ASN CG C 177.013 0.010 1 51 258 9 ASN N N 118.277 0.000 1 52 258 9 ASN ND2 N 112.625 0.020 1 53 259 10 GLU H H 8.300 0.000 1 54 259 10 GLU HA H 4.302 0.000 1 55 259 10 GLU HB2 H 1.940 0.000 2 56 259 10 GLU HB3 H 2.064 0.000 2 57 259 10 GLU HG2 H 2.223 0.000 2 58 259 10 GLU HG3 H 2.245 0.000 2 59 259 10 GLU C C 176.377 0.000 1 60 259 10 GLU CA C 56.625 0.000 1 61 259 10 GLU CB C 30.455 0.008 1 62 259 10 GLU CG C 36.225 0.004 1 63 259 10 GLU N N 121.205 0.000 1 64 260 11 ARG H H 8.395 0.000 1 65 260 11 ARG HA H 4.586 0.000 1 66 260 11 ARG HB2 H 1.860 0.000 2 67 260 11 ARG HB3 H 1.916 0.000 2 68 260 11 ARG HD2 H 3.161 0.000 2 69 260 11 ARG HD3 H 3.246 0.000 2 70 260 11 ARG HG2 H 1.626 0.000 2 71 260 11 ARG HG3 H 1.730 0.000 2 72 260 11 ARG C C 175.411 0.000 1 73 260 11 ARG CA C 55.270 0.000 1 74 260 11 ARG CB C 29.298 0.002 1 75 260 11 ARG CD C 42.948 0.001 1 76 260 11 ARG CG C 26.881 0.008 1 77 260 11 ARG N N 122.999 0.000 1 78 261 12 SER H H 7.742 0.000 1 79 261 12 SER HA H 4.845 0.000 1 80 261 12 SER HB2 H 3.860 0.000 2 81 261 12 SER HB3 H 3.860 0.000 2 82 261 12 SER C C 172.755 0.000 1 83 261 12 SER CA C 57.074 0.000 1 84 261 12 SER CB C 65.469 0.000 1 85 261 12 SER N N 115.742 0.000 1 86 262 13 LEU H H 7.889 0.000 1 87 262 13 LEU HA H 4.543 0.000 1 88 262 13 LEU HB2 H 0.668 0.000 2 89 262 13 LEU HB3 H 1.228 0.000 2 90 262 13 LEU HD1 H 0.272 0.000 . 91 262 13 LEU HD2 H 0.435 0.000 . 92 262 13 LEU HG H 0.938 0.000 1 93 262 13 LEU C C 174.884 0.000 1 94 262 13 LEU CA C 54.074 0.000 1 95 262 13 LEU CB C 42.617 0.002 1 96 262 13 LEU CD1 C 25.495 0.000 2 97 262 13 LEU CD2 C 24.619 0.000 2 98 262 13 LEU CG C 26.795 0.000 1 99 262 13 LEU N N 120.542 0.000 1 100 263 14 GLN H H 8.316 0.000 1 101 263 14 GLN HA H 5.210 0.000 1 102 263 14 GLN HB2 H 2.195 0.000 2 103 263 14 GLN HB3 H 2.276 0.000 2 104 263 14 GLN HE21 H 6.861 0.001 2 105 263 14 GLN HE22 H 7.534 0.001 2 106 263 14 GLN HG2 H 2.426 0.000 2 107 263 14 GLN HG3 H 2.463 0.000 2 108 263 14 GLN C C 175.413 0.000 1 109 263 14 GLN CA C 55.148 0.000 1 110 263 14 GLN CB C 31.697 0.009 1 111 263 14 GLN CD C 180.155 0.010 1 112 263 14 GLN CG C 34.424 0.002 1 113 263 14 GLN N N 124.905 0.000 1 114 263 14 GLN NE2 N 110.400 0.003 1 115 264 15 ILE H H 9.167 0.000 1 116 264 15 ILE HA H 5.528 0.000 1 117 264 15 ILE HB H 1.698 0.000 1 118 264 15 ILE HD1 H 0.784 0.000 . 119 264 15 ILE HG12 H 1.170 0.000 2 120 264 15 ILE HG13 H 1.565 0.000 2 121 264 15 ILE HG2 H 0.968 0.000 . 122 264 15 ILE C C 174.304 0.000 1 123 264 15 ILE CA C 58.850 0.000 1 124 264 15 ILE CB C 41.763 0.000 1 125 264 15 ILE CD1 C 14.209 0.000 1 126 264 15 ILE CG1 C 28.474 0.001 1 127 264 15 ILE CG2 C 17.868 0.000 1 128 264 15 ILE N N 124.063 0.000 1 129 265 16 THR H H 9.035 0.000 1 130 265 16 THR HA H 5.266 0.000 1 131 265 16 THR HB H 4.126 0.000 1 132 265 16 THR HG2 H 1.155 0.000 . 133 265 16 THR C C 174.164 0.000 1 134 265 16 THR CA C 61.156 0.000 1 135 265 16 THR CB C 70.360 0.000 1 136 265 16 THR CG2 C 21.503 0.000 1 137 265 16 THR N N 121.824 0.000 1 138 266 17 MET H H 9.023 0.000 1 139 266 17 MET HA H 5.305 0.000 1 140 266 17 MET HB2 H 1.638 0.000 2 141 266 17 MET HB3 H 1.688 0.000 2 142 266 17 MET HE H 1.281 0.000 . 143 266 17 MET HG2 H 1.975 0.000 2 144 266 17 MET HG3 H 1.993 0.000 2 145 266 17 MET C C 174.778 0.000 1 146 266 17 MET CA C 54.072 0.000 1 147 266 17 MET CB C 35.741 0.000 1 148 266 17 MET CE C 16.620 0.000 1 149 266 17 MET CG C 31.389 0.004 1 150 266 17 MET N N 126.143 0.000 1 151 267 18 ASN H H 8.464 0.000 1 152 267 18 ASN HA H 4.731 0.000 1 153 267 18 ASN HB2 H 2.495 0.000 2 154 267 18 ASN HB3 H 2.558 0.000 2 155 267 18 ASN HD21 H 6.640 0.001 2 156 267 18 ASN HD22 H 7.542 0.001 2 157 267 18 ASN C C 171.981 0.000 1 158 267 18 ASN CA C 53.283 0.000 1 159 267 18 ASN CB C 43.069 0.002 1 160 267 18 ASN CG C 176.085 0.016 1 161 267 18 ASN N N 118.639 0.000 1 162 267 18 ASN ND2 N 111.667 0.001 1 163 268 19 GLN H H 8.932 0.000 1 164 268 19 GLN HA H 5.253 0.000 1 165 268 19 GLN HB2 H 1.677 0.000 2 166 268 19 GLN HB3 H 2.303 0.000 2 167 268 19 GLN HE21 H 7.108 0.001 2 168 268 19 GLN HE22 H 7.279 0.000 2 169 268 19 GLN HG2 H 2.403 0.000 2 170 268 19 GLN HG3 H 2.522 0.000 2 171 268 19 GLN C C 174.744 0.000 1 172 268 19 GLN CA C 55.193 0.000 1 173 268 19 GLN CB C 30.223 0.001 1 174 268 19 GLN CD C 179.536 0.005 1 175 268 19 GLN CG C 34.192 0.002 1 176 268 19 GLN N N 125.806 0.000 1 177 268 19 GLN NE2 N 110.216 0.000 1 178 269 20 ARG H H 8.584 0.000 1 179 269 20 ARG HA H 4.532 0.000 1 180 269 20 ARG HB2 H 1.685 0.000 2 181 269 20 ARG HB3 H 1.986 0.000 2 182 269 20 ARG HD2 H 2.965 0.000 2 183 269 20 ARG HD3 H 3.004 0.000 2 184 269 20 ARG HG2 H 1.460 0.000 2 185 269 20 ARG HG3 H 1.498 0.000 2 186 269 20 ARG C C 175.115 0.000 1 187 269 20 ARG CA C 55.715 0.000 1 188 269 20 ARG CB C 32.109 0.003 1 189 269 20 ARG CD C 43.302 0.004 1 190 269 20 ARG CG C 26.609 0.002 1 191 269 20 ARG N N 122.599 0.000 1 192 270 21 ASP H H 9.372 0.000 1 193 270 21 ASP HA H 4.328 0.000 1 194 270 21 ASP HB2 H 2.790 0.000 2 195 270 21 ASP HB3 H 2.905 0.000 2 196 270 21 ASP CA C 55.857 0.000 1 197 270 21 ASP CB C 39.727 0.003 1 198 270 21 ASP N N 122.455 0.000 1 199 271 22 ASN H H 9.048 0.000 1 200 271 22 ASN HA H 4.517 0.000 1 201 271 22 ASN HB2 H 2.876 0.000 2 202 271 22 ASN HB3 H 3.194 0.000 2 203 271 22 ASN HD21 H 6.741 0.001 2 204 271 22 ASN HD22 H 7.397 0.000 2 205 271 22 ASN C C 174.526 0.000 1 206 271 22 ASN CA C 54.282 0.000 1 207 271 22 ASN CB C 38.576 0.003 1 208 271 22 ASN CG C 178.170 0.006 1 209 271 22 ASN N N 115.325 0.000 1 210 271 22 ASN ND2 N 110.667 0.002 1 211 272 23 SER H H 8.188 0.000 1 212 272 23 SER HA H 5.399 0.000 1 213 272 23 SER HB2 H 3.428 0.000 2 214 272 23 SER HB3 H 3.879 0.000 2 215 272 23 SER C C 171.594 0.000 1 216 272 23 SER CA C 57.933 0.000 1 217 272 23 SER CB C 67.007 0.002 1 218 272 23 SER N N 112.665 0.000 1 219 273 24 LEU H H 8.988 0.000 1 220 273 24 LEU HA H 4.754 0.000 1 221 273 24 LEU HB2 H 1.133 0.000 2 222 273 24 LEU HB3 H 1.163 0.000 2 223 273 24 LEU HD1 H 0.077 0.000 . 224 273 24 LEU HD2 H -0.053 0.000 . 225 273 24 LEU HG H 0.757 0.000 1 226 273 24 LEU C C 174.364 0.000 1 227 273 24 LEU CA C 53.643 0.000 1 228 273 24 LEU CB C 45.351 0.004 1 229 273 24 LEU CD1 C 23.776 0.000 2 230 273 24 LEU CD2 C 24.924 0.000 2 231 273 24 LEU CG C 26.410 0.000 1 232 273 24 LEU N N 123.364 0.000 1 233 274 25 TYR H H 8.833 0.000 1 234 274 25 TYR HA H 5.036 0.000 1 235 274 25 TYR HB2 H 2.818 0.000 2 236 274 25 TYR HB3 H 2.875 0.000 2 237 274 25 TYR HD1 H 6.980 0.000 3 238 274 25 TYR HD2 H 6.980 0.000 3 239 274 25 TYR HE1 H 6.740 0.003 3 240 274 25 TYR HE2 H 6.740 0.003 3 241 274 25 TYR C C 174.865 0.000 1 242 274 25 TYR CA C 57.456 0.000 1 243 274 25 TYR CB C 40.560 0.052 1 244 274 25 TYR CD1 C 133.120 0.000 3 245 274 25 TYR CE1 C 118.246 0.000 3 246 274 25 TYR N N 122.436 0.000 1 247 275 26 PHE H H 9.117 0.000 1 248 275 26 PHE HA H 5.102 0.000 1 249 275 26 PHE HB2 H 2.689 0.000 2 250 275 26 PHE HB3 H 2.987 0.000 2 251 275 26 PHE HD1 H 6.847 0.003 3 252 275 26 PHE HD2 H 6.847 0.003 3 253 275 26 PHE HE1 H 6.681 0.003 3 254 275 26 PHE HE2 H 6.681 0.003 3 255 275 26 PHE HZ H 5.994 0.000 1 256 275 26 PHE C C 174.931 0.000 1 257 275 26 PHE CA C 55.923 0.000 1 258 275 26 PHE CB C 41.819 0.025 1 259 275 26 PHE CD1 C 131.525 0.000 3 260 275 26 PHE CE1 C 130.515 0.000 3 261 275 26 PHE CZ C 128.806 0.000 1 262 275 26 PHE N N 118.578 0.000 1 263 276 27 GLN H H 9.205 0.000 1 264 276 27 GLN HA H 5.069 0.000 1 265 276 27 GLN HB2 H 2.205 0.000 2 266 276 27 GLN HB3 H 2.232 0.000 2 267 276 27 GLN HE21 H 6.669 0.003 2 268 276 27 GLN HE22 H 7.601 0.000 2 269 276 27 GLN HG2 H 2.222 0.000 2 270 276 27 GLN HG3 H 2.283 0.000 2 271 276 27 GLN C C 174.219 0.000 1 272 276 27 GLN CA C 55.027 0.000 1 273 276 27 GLN CB C 30.302 0.002 1 274 276 27 GLN CD C 179.803 0.017 1 275 276 27 GLN CG C 34.658 0.001 1 276 276 27 GLN N N 122.508 0.000 1 277 276 27 GLN NE2 N 111.362 0.004 1 278 277 28 LEU H H 9.592 0.000 1 279 277 28 LEU HA H 5.152 0.000 1 280 277 28 LEU HB2 H 1.553 0.000 2 281 277 28 LEU HB3 H 1.853 0.000 2 282 277 28 LEU HD1 H 0.788 0.000 . 283 277 28 LEU HD2 H 0.852 0.000 . 284 277 28 LEU HG H 1.528 0.000 1 285 277 28 LEU C C 174.143 0.000 1 286 277 28 LEU CA C 54.970 0.000 1 287 277 28 LEU CB C 45.267 0.004 1 288 277 28 LEU CD1 C 25.953 0.000 2 289 277 28 LEU CD2 C 26.488 0.000 2 290 277 28 LEU CG C 28.377 0.000 1 291 277 28 LEU N N 131.094 0.000 1 292 278 29 PHE H H 9.338 0.000 1 293 278 29 PHE HA H 5.210 0.000 1 294 278 29 PHE HB2 H 2.958 0.000 2 295 278 29 PHE HB3 H 2.958 0.000 2 296 278 29 PHE HD1 H 6.518 0.004 3 297 278 29 PHE HD2 H 6.518 0.004 3 298 278 29 PHE HE1 H 6.982 0.002 3 299 278 29 PHE HE2 H 6.982 0.002 3 300 278 29 PHE HZ H 7.033 0.000 1 301 278 29 PHE C C 175.197 0.000 1 302 278 29 PHE CA C 54.940 0.000 1 303 278 29 PHE CB C 42.028 0.018 1 304 278 29 PHE CD1 C 131.342 0.000 3 305 278 29 PHE CE1 C 130.584 0.000 3 306 278 29 PHE CZ C 129.051 0.000 1 307 278 29 PHE N N 124.231 0.000 1 308 279 30 ASN H H 8.092 0.000 1 309 279 30 ASN HA H 4.673 0.000 1 310 279 30 ASN HB2 H 2.084 0.000 2 311 279 30 ASN HB3 H 3.446 0.000 2 312 279 30 ASN HD21 H 6.425 0.000 2 313 279 30 ASN HD22 H 8.002 0.000 2 314 279 30 ASN C C 173.280 0.000 1 315 279 30 ASN CA C 51.607 0.000 1 316 279 30 ASN CB C 36.516 0.001 1 317 279 30 ASN N N 122.980 0.000 1 318 279 30 ASN ND2 N 110.909 0.001 1 319 280 31 ASN H H 7.509 0.000 1 320 280 31 ASN HA H 5.007 0.000 1 321 280 31 ASN HB2 H 2.028 0.000 2 322 280 31 ASN HB3 H 3.243 0.000 2 323 280 31 ASN HD21 H 6.912 0.001 2 324 280 31 ASN HD22 H 7.495 0.002 2 325 280 31 ASN C C 175.999 0.000 1 326 280 31 ASN CA C 51.151 0.000 1 327 280 31 ASN CB C 38.758 0.103 1 328 280 31 ASN CG C 177.298 0.007 1 329 280 31 ASN N N 126.735 0.000 1 330 280 31 ASN ND2 N 110.623 0.000 1 331 281 32 THR H H 7.271 0.000 1 332 281 32 THR HA H 4.329 0.000 1 333 281 32 THR HB H 4.501 0.000 1 334 281 32 THR HG2 H 1.096 0.000 . 335 281 32 THR CA C 61.620 0.000 1 336 281 32 THR CB C 70.347 0.000 1 337 281 32 THR CG2 C 21.758 0.000 1 338 281 32 THR N N 107.514 0.000 1 339 282 33 ASN HA H 4.771 0.000 1 340 282 33 ASN HB2 H 2.741 0.000 2 341 282 33 ASN HB3 H 3.025 0.000 2 342 282 33 ASN HD21 H 6.862 0.000 2 343 282 33 ASN HD22 H 7.591 0.001 2 344 282 33 ASN C C 174.632 0.000 1 345 282 33 ASN CA C 52.934 0.000 1 346 282 33 ASN CB C 39.059 0.001 1 347 282 33 ASN CG C 177.789 0.009 1 348 282 33 ASN ND2 N 111.747 0.001 1 349 283 34 SER H H 8.309 0.000 1 350 283 34 SER HA H 4.773 0.000 1 351 283 34 SER HB2 H 3.707 0.000 2 352 283 34 SER HB3 H 3.798 0.000 2 353 283 34 SER C C 172.309 0.000 1 354 283 34 SER CA C 57.084 0.000 1 355 283 34 SER CB C 66.216 0.001 1 356 283 34 SER N N 114.141 0.000 1 357 284 35 VAL H H 8.411 0.000 1 358 284 35 VAL HA H 3.759 0.000 1 359 284 35 VAL HB H 1.872 0.000 1 360 284 35 VAL HG1 H 0.798 0.000 . 361 284 35 VAL HG2 H 0.932 0.000 . 362 284 35 VAL C C 176.359 0.000 1 363 284 35 VAL CA C 63.058 0.000 1 364 284 35 VAL CB C 32.512 0.000 1 365 284 35 VAL CG1 C 21.414 0.000 2 366 284 35 VAL CG2 C 21.240 0.000 2 367 284 35 VAL N N 121.891 0.000 1 368 285 36 LEU H H 8.616 0.000 1 369 285 36 LEU HA H 4.515 0.000 1 370 285 36 LEU HB2 H 1.383 0.000 2 371 285 36 LEU HB3 H 1.731 0.000 2 372 285 36 LEU HD1 H 0.803 0.000 . 373 285 36 LEU HD2 H 0.852 0.000 . 374 285 36 LEU HG H 1.808 0.000 1 375 285 36 LEU C C 175.069 0.000 1 376 285 36 LEU CA C 54.237 0.000 1 377 285 36 LEU CB C 42.918 0.001 1 378 285 36 LEU CD1 C 25.554 0.000 2 379 285 36 LEU CD2 C 25.076 0.000 2 380 285 36 LEU CG C 27.501 0.000 1 381 285 36 LEU N N 129.394 0.000 1 382 286 37 ALA H H 8.117 0.000 1 383 286 37 ALA HA H 4.134 0.000 1 384 286 37 ALA HB H 1.441 0.000 . 385 286 37 ALA C C 176.920 0.000 1 386 286 37 ALA CA C 52.294 0.000 1 387 286 37 ALA CB C 19.970 0.000 1 388 286 37 ALA N N 125.806 0.000 1 389 287 38 GLY H H 8.255 0.000 1 390 287 38 GLY HA2 H 3.351 0.000 . 391 287 38 GLY HA3 H 3.951 0.000 2 392 287 38 GLY C C 173.280 0.000 1 393 287 38 GLY CA C 44.487 0.002 1 394 287 38 GLY N N 103.050 0.000 1 395 288 39 ASN H H 8.644 0.000 1 396 288 39 ASN HA H 4.097 0.000 1 397 288 39 ASN HB2 H 2.842 0.000 2 398 288 39 ASN HB3 H 2.923 0.000 2 399 288 39 ASN HD21 H 6.841 0.001 2 400 288 39 ASN HD22 H 7.212 0.001 2 401 288 39 ASN C C 175.158 0.000 1 402 288 39 ASN CA C 54.770 0.000 1 403 288 39 ASN CB C 36.752 0.001 1 404 288 39 ASN CG C 178.635 0.006 1 405 288 39 ASN N N 111.314 0.000 1 406 288 39 ASN ND2 N 113.677 0.001 1 407 289 40 CYS H H 8.763 0.000 1 408 289 40 CYS HA H 4.723 0.000 1 409 289 40 CYS HB2 H 2.592 0.000 2 410 289 40 CYS HB3 H 3.328 0.000 2 411 289 40 CYS C C 174.423 0.000 1 412 289 40 CYS CA C 60.352 0.000 1 413 289 40 CYS CB C 29.537 0.001 1 414 289 40 CYS N N 114.901 0.000 1 415 290 41 LYS H H 8.998 0.000 1 416 290 41 LYS HA H 4.722 0.000 1 417 290 41 LYS HB2 H 1.417 0.000 2 418 290 41 LYS HB3 H 1.448 0.000 2 419 290 41 LYS HD2 H 1.401 0.000 2 420 290 41 LYS HD3 H 1.498 0.000 2 421 290 41 LYS HE2 H 2.849 0.000 2 422 290 41 LYS HE3 H 2.879 0.000 2 423 290 41 LYS HG2 H 1.281 0.000 2 424 290 41 LYS HG3 H 1.318 0.000 2 425 290 41 LYS C C 173.385 0.000 1 426 290 41 LYS CA C 54.831 0.000 1 427 290 41 LYS CB C 35.892 0.000 1 428 290 41 LYS CD C 29.457 0.001 1 429 290 41 LYS CE C 42.138 0.000 1 430 290 41 LYS CG C 24.974 0.001 1 431 290 41 LYS N N 118.613 0.000 1 432 291 42 LEU H H 8.795 0.000 1 433 291 42 LEU HA H 4.669 0.000 1 434 291 42 LEU HB2 H 1.172 0.000 2 435 291 42 LEU HB3 H 1.426 0.000 2 436 291 42 LEU HD1 H -0.021 0.000 . 437 291 42 LEU HD2 H 0.228 0.000 . 438 291 42 LEU HG H 1.048 0.000 1 439 291 42 LEU C C 174.664 0.000 1 440 291 42 LEU CA C 54.278 0.000 1 441 291 42 LEU CB C 42.662 0.013 1 442 291 42 LEU CD1 C 24.097 0.000 2 443 291 42 LEU CD2 C 25.423 0.000 2 444 291 42 LEU CG C 27.642 0.000 1 445 291 42 LEU N N 125.679 0.000 1 446 292 43 LYS H H 9.412 0.000 1 447 292 43 LYS HA H 5.229 0.000 1 448 292 43 LYS HB2 H 1.428 0.000 2 449 292 43 LYS HB3 H 1.692 0.000 2 450 292 43 LYS HD2 H 1.427 0.000 2 451 292 43 LYS HD3 H 1.526 0.000 2 452 292 43 LYS HE2 H 2.540 0.000 2 453 292 43 LYS HE3 H 2.665 0.000 2 454 292 43 LYS HG2 H 1.029 0.000 2 455 292 43 LYS HG3 H 1.229 0.000 2 456 292 43 LYS C C 175.173 0.000 1 457 292 43 LYS CA C 54.140 0.000 1 458 292 43 LYS CB C 34.052 0.001 1 459 292 43 LYS CD C 29.165 0.004 1 460 292 43 LYS CE C 41.678 0.004 1 461 292 43 LYS CG C 24.889 0.003 1 462 292 43 LYS N N 124.633 0.000 1 463 293 44 PHE H H 8.942 0.000 1 464 293 44 PHE HA H 5.638 0.000 1 465 293 44 PHE HB2 H 2.602 0.000 2 466 293 44 PHE HB3 H 2.733 0.000 2 467 293 44 PHE HD1 H 6.825 0.004 3 468 293 44 PHE HD2 H 6.825 0.004 3 469 293 44 PHE HE1 H 6.775 0.003 3 470 293 44 PHE HE2 H 6.775 0.003 3 471 293 44 PHE HZ H 6.626 0.000 1 472 293 44 PHE C C 173.496 0.000 1 473 293 44 PHE CA C 55.300 0.000 1 474 293 44 PHE CB C 42.063 0.038 1 475 293 44 PHE CD1 C 131.769 0.000 3 476 293 44 PHE CE1 C 130.930 0.000 3 477 293 44 PHE CZ C 129.582 0.000 1 478 293 44 PHE N N 124.373 0.000 1 479 294 45 THR H H 8.713 0.000 1 480 294 45 THR HA H 4.974 0.000 1 481 294 45 THR HB H 3.853 0.000 1 482 294 45 THR HG2 H 1.207 0.000 . 483 294 45 THR C C 173.272 0.000 1 484 294 45 THR CA C 61.427 0.000 1 485 294 45 THR CB C 70.799 0.000 1 486 294 45 THR CG2 C 20.822 0.000 1 487 294 45 THR N N 124.329 0.000 1 488 295 46 ASP H H 7.997 0.000 1 489 295 46 ASP HA H 4.633 0.000 1 490 295 46 ASP HB2 H 2.763 0.000 2 491 295 46 ASP HB3 H 3.056 0.000 2 492 295 46 ASP C C 174.297 0.000 1 493 295 46 ASP CA C 53.651 0.000 1 494 295 46 ASP CB C 41.123 0.004 1 495 295 46 ASP N N 124.035 0.000 1 496 296 47 ALA H H 7.938 0.000 1 497 296 47 ALA HA H 4.501 0.000 1 498 296 47 ALA HB H 1.271 0.000 . 499 296 47 ALA C C 177.626 0.000 1 500 296 47 ALA CA C 51.352 0.000 1 501 296 47 ALA CB C 19.504 0.000 1 502 296 47 ALA N N 120.581 0.000 1 503 297 48 GLY H H 8.257 0.000 1 504 297 48 GLY HA2 H 3.907 0.000 . 505 297 48 GLY HA3 H 4.047 0.000 2 506 297 48 GLY C C 173.292 0.000 1 507 297 48 GLY CA C 44.811 0.009 1 508 297 48 GLY N N 107.540 0.000 1 509 298 49 ASP H H 8.303 0.000 1 510 298 49 ASP HA H 4.351 0.000 1 511 298 49 ASP HB2 H 2.626 0.000 2 512 298 49 ASP HB3 H 2.626 0.000 2 513 298 49 ASP C C 176.896 0.000 1 514 298 49 ASP CA C 56.148 0.000 1 515 298 49 ASP CB C 41.066 0.000 1 516 298 49 ASP N N 118.126 0.000 1 517 299 50 LYS H H 8.300 0.000 1 518 299 50 LYS HA H 4.574 0.000 1 519 299 50 LYS HB2 H 1.636 0.000 2 520 299 50 LYS HB3 H 1.752 0.000 2 521 299 50 LYS HD2 H 1.638 0.000 2 522 299 50 LYS HD3 H 1.682 0.000 2 523 299 50 LYS HE2 H 2.980 0.000 2 524 299 50 LYS HE3 H 2.985 0.000 2 525 299 50 LYS HG2 H 1.308 0.000 2 526 299 50 LYS HG3 H 1.365 0.000 2 527 299 50 LYS CA C 53.680 0.000 1 528 299 50 LYS CB C 32.105 0.002 1 529 299 50 LYS CD C 29.381 0.002 1 530 299 50 LYS CE C 42.174 0.000 1 531 299 50 LYS CG C 24.427 0.005 1 532 299 50 LYS N N 119.971 0.000 1 533 300 51 PRO HA H 4.560 0.000 1 534 300 51 PRO HB2 H 1.711 0.000 2 535 300 51 PRO HB3 H 2.156 0.000 2 536 300 51 PRO HD2 H 3.479 0.000 2 537 300 51 PRO HD3 H 3.536 0.000 2 538 300 51 PRO HG2 H 1.846 0.000 2 539 300 51 PRO HG3 H 1.896 0.000 2 540 300 51 PRO C C 177.642 0.000 1 541 300 51 PRO CA C 63.390 0.000 1 542 300 51 PRO CB C 33.073 0.001 1 543 300 51 PRO CD C 50.388 0.000 1 544 300 51 PRO CG C 26.982 0.002 1 545 301 52 THR H H 8.870 0.000 1 546 301 52 THR HA H 4.492 0.000 1 547 301 52 THR HB H 4.103 0.000 1 548 301 52 THR HG2 H 1.198 0.000 . 549 301 52 THR C C 173.276 0.000 1 550 301 52 THR CA C 61.460 0.000 1 551 301 52 THR CB C 71.244 0.000 1 552 301 52 THR CG2 C 21.658 0.000 1 553 301 52 THR N N 117.376 0.000 1 554 302 53 THR H H 8.584 0.000 1 555 302 53 THR HA H 4.934 0.000 1 556 302 53 THR HB H 3.652 0.000 1 557 302 53 THR HG2 H 0.943 0.000 . 558 302 53 THR C C 173.666 0.000 1 559 302 53 THR CA C 61.969 0.000 1 560 302 53 THR CB C 70.648 0.000 1 561 302 53 THR CG2 C 22.068 0.000 1 562 302 53 THR N N 121.617 0.000 1 563 303 54 GLN H H 8.892 0.000 1 564 303 54 GLN HA H 4.504 0.000 1 565 303 54 GLN HB2 H 0.917 0.000 2 566 303 54 GLN HB3 H 1.177 0.000 2 567 303 54 GLN HE21 H 6.669 0.000 2 568 303 54 GLN HE22 H 6.819 0.003 2 569 303 54 GLN HG2 H 1.799 0.000 2 570 303 54 GLN HG3 H 2.001 0.000 2 571 303 54 GLN C C 174.169 0.000 1 572 303 54 GLN CA C 53.979 0.000 1 573 303 54 GLN CB C 29.613 0.002 1 574 303 54 GLN CD C 178.750 0.009 1 575 303 54 GLN CG C 33.477 0.003 1 576 303 54 GLN N N 126.981 0.000 1 577 303 54 GLN NE2 N 109.932 0.001 1 578 304 55 ILE H H 8.307 0.000 1 579 304 55 ILE HA H 4.678 0.000 1 580 304 55 ILE HB H 1.651 0.000 1 581 304 55 ILE HD1 H 0.767 0.000 . 582 304 55 ILE HG12 H 0.761 0.000 2 583 304 55 ILE HG13 H 1.404 0.000 2 584 304 55 ILE HG2 H 0.677 0.000 . 585 304 55 ILE C C 175.156 0.000 1 586 304 55 ILE CA C 60.703 0.000 1 587 304 55 ILE CB C 40.287 0.000 1 588 304 55 ILE CD1 C 13.381 0.000 1 589 304 55 ILE CG1 C 27.987 0.003 1 590 304 55 ILE CG2 C 18.072 0.000 1 591 304 55 ILE N N 120.662 0.000 1 592 305 56 ILE H H 9.460 0.000 1 593 305 56 ILE HA H 4.254 0.000 1 594 305 56 ILE HB H 1.643 0.000 1 595 305 56 ILE HD1 H 0.605 0.000 . 596 305 56 ILE HG12 H 1.140 0.000 2 597 305 56 ILE HG13 H 1.462 0.000 2 598 305 56 ILE HG2 H 0.643 0.000 . 599 305 56 ILE C C 175.036 0.000 1 600 305 56 ILE CA C 60.298 0.000 1 601 305 56 ILE CB C 40.932 0.000 1 602 305 56 ILE CD1 C 15.017 0.000 1 603 305 56 ILE CG1 C 28.608 0.002 1 604 305 56 ILE CG2 C 17.399 0.000 1 605 305 56 ILE N N 128.496 0.000 1 606 306 57 ASP H H 8.820 0.000 1 607 306 57 ASP HA H 4.425 0.000 1 608 306 57 ASP HB2 H 2.597 0.000 2 609 306 57 ASP HB3 H 2.836 0.000 2 610 306 57 ASP C C 176.639 0.000 1 611 306 57 ASP CA C 54.601 0.000 1 612 306 57 ASP CB C 41.050 0.016 1 613 306 57 ASP N N 127.696 0.000 1 614 307 58 MET H H 8.066 0.000 1 615 307 58 MET HA H 4.031 0.000 1 616 307 58 MET HB2 H 1.885 0.000 2 617 307 58 MET HB3 H 2.321 0.000 2 618 307 58 MET HE H 1.758 0.000 . 619 307 58 MET HG2 H 1.416 0.000 2 620 307 58 MET HG3 H 1.443 0.000 2 621 307 58 MET C C 177.660 0.000 1 622 307 58 MET CA C 58.109 0.000 1 623 307 58 MET CB C 33.052 0.000 1 624 307 58 MET CE C 15.149 0.000 1 625 307 58 MET CG C 31.334 0.003 1 626 307 58 MET N N 125.448 0.000 1 627 308 59 GLY H H 8.645 0.000 1 628 308 59 GLY HA2 H 3.983 0.000 . 629 308 59 GLY HA3 H 4.539 0.000 2 630 308 59 GLY CA C 44.929 0.002 1 631 308 59 GLY N N 109.579 0.000 1 632 309 60 PRO HA H 4.323 0.000 1 633 309 60 PRO HB2 H 1.805 0.000 2 634 309 60 PRO HB3 H 2.102 0.000 2 635 309 60 PRO HD2 H 3.536 0.000 2 636 309 60 PRO HD3 H 3.593 0.000 2 637 309 60 PRO HG2 H 1.186 0.000 2 638 309 60 PRO HG3 H 1.937 0.000 2 639 309 60 PRO C C 176.495 0.000 1 640 309 60 PRO CA C 64.089 0.000 1 641 309 60 PRO CB C 32.456 0.034 1 642 309 60 PRO CD C 49.991 0.002 1 643 309 60 PRO CG C 26.104 0.000 1 644 310 61 HIS H H 7.791 0.000 1 645 310 61 HIS HA H 4.686 0.000 1 646 310 61 HIS HB2 H 3.029 0.000 2 647 310 61 HIS HB3 H 3.218 0.000 2 648 310 61 HIS HD2 H 7.122 0.002 1 649 310 61 HIS HE1 H 7.911 0.002 1 650 310 61 HIS C C 175.577 0.000 1 651 310 61 HIS CA C 56.014 0.000 1 652 310 61 HIS CB C 31.298 0.020 1 653 310 61 HIS CD2 C 119.655 0.006 1 654 310 61 HIS CE1 C 138.679 0.000 1 655 310 61 HIS N N 119.331 0.000 1 656 311 62 GLU H H 8.660 0.000 1 657 311 62 GLU HA H 4.318 0.000 1 658 311 62 GLU HB2 H 1.811 0.000 2 659 311 62 GLU HB3 H 1.900 0.000 2 660 311 62 GLU HG2 H 2.238 0.000 2 661 311 62 GLU HG3 H 2.266 0.000 2 662 311 62 GLU C C 176.478 0.000 1 663 311 62 GLU CA C 56.210 0.000 1 664 311 62 GLU CB C 30.302 0.007 1 665 311 62 GLU CG C 36.445 0.003 1 666 311 62 GLU N N 122.299 0.000 1 667 312 63 ILE H H 8.711 0.000 1 668 312 63 ILE HA H 4.200 0.000 1 669 312 63 ILE HB H 1.765 0.000 1 670 312 63 ILE HD1 H 0.922 0.000 . 671 312 63 ILE HG12 H 0.914 0.000 2 672 312 63 ILE HG13 H 1.692 0.000 2 673 312 63 ILE HG2 H 0.891 0.000 . 674 312 63 ILE C C 176.182 0.000 1 675 312 63 ILE CA C 61.524 0.000 1 676 312 63 ILE CB C 38.823 0.000 1 677 312 63 ILE CD1 C 14.343 0.000 1 678 312 63 ILE CG1 C 27.602 0.001 1 679 312 63 ILE CG2 C 17.970 0.000 1 680 312 63 ILE N N 122.550 0.000 1 681 313 64 GLY H H 9.083 0.000 1 682 313 64 GLY HA2 H 3.744 0.000 . 683 313 64 GLY HA3 H 4.058 0.000 2 684 313 64 GLY C C 173.670 0.000 1 685 313 64 GLY CA C 45.027 0.025 1 686 313 64 GLY N N 115.219 0.000 1 687 314 65 ILE H H 8.395 0.000 1 688 314 65 ILE HA H 3.399 0.000 1 689 314 65 ILE HB H 1.565 0.000 1 690 314 65 ILE HD1 H 0.716 0.000 . 691 314 65 ILE HG12 H 0.717 0.000 2 692 314 65 ILE HG13 H 1.376 0.000 2 693 314 65 ILE HG2 H 0.936 0.000 . 694 314 65 ILE C C 177.308 0.000 1 695 314 65 ILE CA C 64.348 0.000 1 696 314 65 ILE CB C 37.997 0.000 1 697 314 65 ILE CD1 C 13.492 0.000 1 698 314 65 ILE CG1 C 28.486 0.001 1 699 314 65 ILE CG2 C 17.308 0.000 1 700 314 65 ILE N N 121.250 0.000 1 701 315 66 LYS H H 8.827 0.000 1 702 315 66 LYS HA H 3.226 0.000 1 703 315 66 LYS HB2 H 2.090 0.000 2 704 315 66 LYS HB3 H 2.229 0.000 2 705 315 66 LYS HD2 H 1.725 0.000 2 706 315 66 LYS HD3 H 1.812 0.000 2 707 315 66 LYS HE2 H 3.031 0.000 2 708 315 66 LYS HE3 H 3.056 0.000 2 709 315 66 LYS HG2 H 1.407 0.000 2 710 315 66 LYS HG3 H 1.541 0.000 2 711 315 66 LYS C C 173.820 0.000 1 712 315 66 LYS CA C 58.455 0.000 1 713 315 66 LYS CB C 29.280 0.003 1 714 315 66 LYS CD C 29.629 0.003 1 715 315 66 LYS CE C 42.436 0.000 1 716 315 66 LYS CG C 26.319 0.002 1 717 315 66 LYS N N 121.792 0.000 1 718 316 67 GLU H H 7.253 0.000 1 719 316 67 GLU HA H 4.505 0.000 1 720 316 67 GLU HB2 H 1.873 0.000 2 721 316 67 GLU HB3 H 2.025 0.000 2 722 316 67 GLU HG2 H 2.174 0.000 2 723 316 67 GLU HG3 H 2.288 0.000 2 724 316 67 GLU C C 174.621 0.000 1 725 316 67 GLU CA C 56.236 0.000 1 726 316 67 GLU CB C 31.431 0.001 1 727 316 67 GLU CG C 37.203 0.003 1 728 316 67 GLU N N 116.874 0.000 1 729 317 68 TYR H H 8.325 0.000 1 730 317 68 TYR HA H 5.842 0.000 1 731 317 68 TYR HB2 H 2.874 0.000 2 732 317 68 TYR HB3 H 2.874 0.000 2 733 317 68 TYR HD1 H 7.018 0.000 3 734 317 68 TYR HD2 H 7.018 0.000 3 735 317 68 TYR HE1 H 6.515 0.000 3 736 317 68 TYR HE2 H 6.515 0.000 3 737 317 68 TYR C C 176.489 0.000 1 738 317 68 TYR CA C 56.274 0.000 1 739 317 68 TYR CB C 41.935 0.037 1 740 317 68 TYR CD1 C 130.584 0.000 3 741 317 68 TYR CE1 C 117.991 0.000 3 742 317 68 TYR N N 120.116 0.000 1 743 318 69 LYS H H 9.022 0.000 1 744 318 69 LYS HA H 4.497 0.000 1 745 318 69 LYS HB2 H 1.593 0.000 2 746 318 69 LYS HB3 H 1.634 0.000 2 747 318 69 LYS HD2 H 1.775 0.000 2 748 318 69 LYS HD3 H 1.838 0.000 2 749 318 69 LYS HE2 H 2.935 0.000 2 750 318 69 LYS HE3 H 2.969 0.000 2 751 318 69 LYS HG2 H 1.242 0.000 2 752 318 69 LYS HG3 H 1.369 0.000 2 753 318 69 LYS C C 173.624 0.000 1 754 318 69 LYS CA C 54.740 0.000 1 755 318 69 LYS CB C 37.405 0.004 1 756 318 69 LYS CD C 28.361 0.005 1 757 318 69 LYS CE C 42.418 0.002 1 758 318 69 LYS CG C 24.848 0.009 1 759 318 69 LYS N N 122.418 0.000 1 760 319 70 GLU H H 8.216 0.000 1 761 319 70 GLU HA H 5.353 0.000 1 762 319 70 GLU HB2 H 1.905 0.000 2 763 319 70 GLU HB3 H 2.029 0.000 2 764 319 70 GLU HG2 H 2.182 0.000 2 765 319 70 GLU HG3 H 2.208 0.000 2 766 319 70 GLU C C 174.705 0.000 1 767 319 70 GLU CA C 54.763 0.000 1 768 319 70 GLU CB C 33.132 0.000 1 769 319 70 GLU CG C 37.861 0.004 1 770 319 70 GLU N N 122.560 0.000 1 771 320 71 TYR H H 9.071 0.000 1 772 320 71 TYR HA H 4.918 0.000 1 773 320 71 TYR HB2 H 3.184 0.000 2 774 320 71 TYR HB3 H 3.184 0.000 2 775 320 71 TYR HD1 H 7.006 0.003 3 776 320 71 TYR HD2 H 7.006 0.003 3 777 320 71 TYR HE1 H 6.692 0.004 3 778 320 71 TYR HE2 H 6.692 0.004 3 779 320 71 TYR C C 173.904 0.000 1 780 320 71 TYR CA C 56.938 0.000 1 781 320 71 TYR CB C 42.861 0.043 1 782 320 71 TYR CD1 C 133.217 0.000 3 783 320 71 TYR CE1 C 118.060 0.000 3 784 320 71 TYR N N 122.200 0.000 1 785 321 72 ARG H H 8.904 0.000 1 786 321 72 ARG HA H 5.165 0.000 1 787 321 72 ARG HB2 H 1.537 0.000 2 788 321 72 ARG HB3 H 1.692 0.000 2 789 321 72 ARG HD2 H 2.983 0.000 2 790 321 72 ARG HD3 H 3.009 0.000 2 791 321 72 ARG HG2 H 0.871 0.000 2 792 321 72 ARG HG3 H 1.138 0.000 2 793 321 72 ARG C C 174.308 0.000 1 794 321 72 ARG CA C 54.732 0.000 1 795 321 72 ARG CB C 34.135 0.001 1 796 321 72 ARG CD C 43.854 0.000 1 797 321 72 ARG CG C 27.520 0.001 1 798 321 72 ARG N N 121.922 0.000 1 799 322 73 TYR H H 9.387 0.000 1 800 322 73 TYR HA H 4.818 0.000 1 801 322 73 TYR HB2 H 2.868 0.000 2 802 322 73 TYR HB3 H 2.954 0.000 2 803 322 73 TYR HD1 H 6.960 0.004 3 804 322 73 TYR HD2 H 6.960 0.004 3 805 322 73 TYR HE1 H 6.960 0.002 3 806 322 73 TYR HE2 H 6.960 0.002 3 807 322 73 TYR C C 172.758 0.000 1 808 322 73 TYR CA C 57.760 0.000 1 809 322 73 TYR CB C 41.642 0.060 1 810 322 73 TYR CD1 C 132.257 0.000 3 811 322 73 TYR CE1 C 118.800 0.000 3 812 322 73 TYR N N 126.137 0.000 1 813 323 74 PHE H H 7.737 0.000 1 814 323 74 PHE HA H 4.974 0.000 1 815 323 74 PHE HB2 H 2.768 0.000 2 816 323 74 PHE HB3 H 3.081 0.000 2 817 323 74 PHE HD1 H 7.144 0.004 3 818 323 74 PHE HD2 H 7.144 0.004 3 819 323 74 PHE HE1 H 7.336 0.000 3 820 323 74 PHE HE2 H 7.336 0.000 3 821 323 74 PHE CA C 53.662 0.000 1 822 323 74 PHE CB C 42.044 0.011 1 823 323 74 PHE CD1 C 132.448 0.000 3 824 323 74 PHE CE1 C 131.174 0.000 3 825 323 74 PHE N N 127.867 0.000 1 826 324 75 PRO HA H 4.525 0.000 1 827 324 75 PRO HB2 H 1.423 0.000 2 828 324 75 PRO HB3 H 1.775 0.000 2 829 324 75 PRO HD2 H 3.177 0.000 2 830 324 75 PRO HD3 H 3.481 0.000 2 831 324 75 PRO HG2 H 1.705 0.000 2 832 324 75 PRO HG3 H 1.884 0.000 2 833 324 75 PRO C C 175.400 0.000 1 834 324 75 PRO CA C 62.229 0.000 1 835 324 75 PRO CB C 33.785 0.003 1 836 324 75 PRO CD C 49.299 0.003 1 837 324 75 PRO CG C 24.078 0.001 1 838 325 76 TYR H H 8.553 0.000 1 839 325 76 TYR HA H 4.260 0.000 1 840 325 76 TYR HB2 H 2.847 0.000 2 841 325 76 TYR HB3 H 2.898 0.000 2 842 325 76 TYR HD1 H 7.104 0.006 3 843 325 76 TYR HD2 H 7.104 0.006 3 844 325 76 TYR HE1 H 6.794 0.000 3 845 325 76 TYR HE2 H 6.794 0.000 3 846 325 76 TYR C C 173.975 0.000 1 847 325 76 TYR CA C 60.547 0.000 1 848 325 76 TYR CB C 41.672 0.012 1 849 325 76 TYR CD1 C 132.875 0.000 3 850 325 76 TYR CE1 C 118.884 0.000 3 851 325 76 TYR N N 123.055 0.000 1 852 326 77 ALA H H 8.330 0.000 1 853 326 77 ALA HA H 4.431 0.000 1 854 326 77 ALA HB H 1.247 0.000 . 855 326 77 ALA C C 176.375 0.000 1 856 326 77 ALA CA C 52.096 0.000 1 857 326 77 ALA CB C 20.136 0.000 1 858 326 77 ALA N N 128.968 0.000 1 859 327 78 LEU H H 6.107 0.000 1 860 327 78 LEU HA H 4.346 0.000 1 861 327 78 LEU HB2 H 1.349 0.000 2 862 327 78 LEU HB3 H 1.545 0.000 2 863 327 78 LEU HD1 H 0.754 0.000 . 864 327 78 LEU HD2 H 0.787 0.000 . 865 327 78 LEU HG H 1.274 0.000 1 866 327 78 LEU C C 175.104 0.000 1 867 327 78 LEU CA C 53.973 0.000 1 868 327 78 LEU CB C 43.403 0.002 1 869 327 78 LEU CD1 C 23.172 0.000 2 870 327 78 LEU CD2 C 25.214 0.000 2 871 327 78 LEU CG C 26.962 0.000 1 872 327 78 LEU N N 118.467 0.000 1 873 328 79 ASP H H 7.872 0.000 1 874 328 79 ASP HA H 4.621 0.000 1 875 328 79 ASP HB2 H 2.464 0.000 2 876 328 79 ASP HB3 H 2.643 0.000 2 877 328 79 ASP C C 177.267 0.000 1 878 328 79 ASP CA C 54.037 0.000 1 879 328 79 ASP CB C 41.471 0.003 1 880 328 79 ASP N N 117.002 0.000 1 881 329 80 LEU H H 8.481 0.000 1 882 329 80 LEU HA H 4.339 0.000 1 883 329 80 LEU HB2 H 1.131 0.000 2 884 329 80 LEU HB3 H 1.349 0.000 2 885 329 80 LEU HD1 H 0.555 0.000 . 886 329 80 LEU HD2 H 0.570 0.000 . 887 329 80 LEU HG H 1.477 0.000 1 888 329 80 LEU C C 176.633 0.000 1 889 329 80 LEU CA C 55.149 0.000 1 890 329 80 LEU CB C 41.769 0.000 1 891 329 80 LEU CD1 C 23.651 0.000 2 892 329 80 LEU CD2 C 24.988 0.000 2 893 329 80 LEU CG C 26.745 0.000 1 894 329 80 LEU N N 122.980 0.000 1 895 330 81 GLU H H 8.585 0.000 1 896 330 81 GLU HA H 4.603 0.000 1 897 330 81 GLU HB2 H 1.894 0.000 2 898 330 81 GLU HB3 H 2.048 0.000 2 899 330 81 GLU HG2 H 2.308 0.000 2 900 330 81 GLU HG3 H 2.355 0.000 2 901 330 81 GLU C C 176.757 0.000 1 902 330 81 GLU CA C 55.002 0.000 1 903 330 81 GLU CB C 32.341 0.008 1 904 330 81 GLU CG C 35.985 0.006 1 905 330 81 GLU N N 122.449 0.000 1 906 331 82 ALA H H 8.892 0.000 1 907 331 82 ALA HA H 4.134 0.000 1 908 331 82 ALA HB H 1.378 0.000 . 909 331 82 ALA C C 177.629 0.000 1 910 331 82 ALA CA C 53.919 0.000 1 911 331 82 ALA CB C 18.309 0.000 1 912 331 82 ALA N N 127.435 0.000 1 913 332 83 GLY H H 9.050 0.000 1 914 332 83 GLY HA2 H 3.578 0.000 . 915 332 83 GLY HA3 H 4.549 0.000 2 916 332 83 GLY CA C 44.701 0.004 1 917 332 83 GLY N N 108.956 0.000 1 918 333 84 SER H H 7.869 0.000 1 919 333 84 SER HA H 4.529 0.000 1 920 333 84 SER HB2 H 3.855 0.000 2 921 333 84 SER HB3 H 4.054 0.000 2 922 333 84 SER CA C 60.786 0.000 1 923 333 84 SER CB C 64.076 0.000 1 924 333 84 SER N N 116.996 0.000 1 925 334 85 THR H H 8.873 0.000 1 926 334 85 THR HA H 4.947 0.000 1 927 334 85 THR HB H 4.056 0.000 1 928 334 85 THR HG2 H 1.226 0.000 . 929 334 85 THR C C 173.290 0.000 1 930 334 85 THR CA C 62.174 0.000 1 931 334 85 THR CB C 71.556 0.000 1 932 334 85 THR CG2 C 21.775 0.000 1 933 334 85 THR N N 116.673 0.000 1 934 335 86 ILE H H 8.687 0.000 1 935 335 86 ILE HA H 5.113 0.000 1 936 335 86 ILE HB H 1.562 0.000 1 937 335 86 ILE HD1 H 0.954 0.000 . 938 335 86 ILE HG12 H 1.261 0.000 2 939 335 86 ILE HG13 H 1.604 0.000 2 940 335 86 ILE HG2 H 0.734 0.000 . 941 335 86 ILE C C 174.169 0.000 1 942 335 86 ILE CA C 59.787 0.000 1 943 335 86 ILE CB C 40.587 0.000 1 944 335 86 ILE CD1 C 14.823 0.000 1 945 335 86 ILE CG1 C 28.963 0.002 1 946 335 86 ILE CG2 C 18.937 0.000 1 947 335 86 ILE N N 123.894 0.000 1 948 336 87 GLU H H 9.045 0.000 1 949 336 87 GLU HA H 5.150 0.000 1 950 336 87 GLU HB2 H 1.933 0.000 2 951 336 87 GLU HB3 H 1.999 0.000 2 952 336 87 GLU HG2 H 2.121 0.000 2 953 336 87 GLU HG3 H 2.264 0.000 2 954 336 87 GLU C C 174.689 0.000 1 955 336 87 GLU CA C 54.225 0.000 1 956 336 87 GLU CB C 35.410 0.000 1 957 336 87 GLU CG C 37.537 0.007 1 958 336 87 GLU N N 123.975 0.000 1 959 337 88 ILE H H 8.881 0.000 1 960 337 88 ILE HA H 5.142 0.000 1 961 337 88 ILE HB H 2.039 0.000 1 962 337 88 ILE HD1 H 0.568 0.000 . 963 337 88 ILE HG2 H 0.844 0.000 . 964 337 88 ILE C C 174.974 0.000 1 965 337 88 ILE CA C 58.725 0.000 1 966 337 88 ILE CB C 38.865 0.000 1 967 337 88 ILE CD1 C 11.687 0.000 1 968 337 88 ILE CG1 C 27.588 0.000 1 969 337 88 ILE CG2 C 17.087 0.000 1 970 337 88 ILE N N 120.252 0.000 1 971 338 89 GLU H H 9.305 0.000 1 972 338 89 GLU HA H 5.299 0.000 1 973 338 89 GLU HB2 H 1.676 0.000 2 974 338 89 GLU HB3 H 1.865 0.000 2 975 338 89 GLU HG2 H 1.857 0.000 2 976 338 89 GLU HG3 H 2.197 0.000 2 977 338 89 GLU C C 176.126 0.000 1 978 338 89 GLU CA C 53.302 0.000 1 979 338 89 GLU CB C 34.773 0.003 1 980 338 89 GLU CG C 36.827 0.002 1 981 338 89 GLU N N 127.946 0.000 1 982 339 90 ASN H H 8.822 0.000 1 983 339 90 ASN HA H 5.323 0.000 1 984 339 90 ASN HB2 H 2.835 0.000 2 985 339 90 ASN HB3 H 3.653 0.000 2 986 339 90 ASN HD21 H 7.805 0.002 2 987 339 90 ASN HD22 H 8.038 0.000 2 988 339 90 ASN C C 176.683 0.024 1 989 339 90 ASN CA C 51.461 0.000 1 990 339 90 ASN CB C 38.870 0.003 1 991 339 90 ASN N N 120.389 0.000 1 992 339 90 ASN ND2 N 113.129 0.002 1 993 340 91 GLN H H 8.867 0.000 1 994 340 91 GLN HA H 4.114 0.000 1 995 340 91 GLN HB2 H 1.817 0.000 2 996 340 91 GLN HB3 H 1.991 0.000 2 997 340 91 GLN HE21 H 6.819 0.001 2 998 340 91 GLN HE22 H 7.136 0.000 2 999 340 91 GLN HG2 H 1.124 0.000 2 1000 340 91 GLN HG3 H 1.508 0.000 2 1001 340 91 GLN C C 175.376 0.000 1 1002 340 91 GLN CA C 57.713 0.000 1 1003 340 91 GLN CB C 28.288 0.003 1 1004 340 91 GLN CD C 180.007 0.007 1 1005 340 91 GLN CG C 31.932 0.004 1 1006 340 91 GLN N N 116.666 0.000 1 1007 340 91 GLN NE2 N 111.728 0.002 1 1008 341 92 TYR H H 7.320 0.000 1 1009 341 92 TYR HA H 4.680 0.000 1 1010 341 92 TYR HB2 H 2.746 0.000 2 1011 341 92 TYR HB3 H 3.450 0.000 2 1012 341 92 TYR HD1 H 7.073 0.003 3 1013 341 92 TYR HD2 H 7.073 0.003 3 1014 341 92 TYR HE1 H 6.826 0.003 3 1015 341 92 TYR HE2 H 6.826 0.003 3 1016 341 92 TYR C C 176.133 0.000 1 1017 341 92 TYR CA C 56.700 0.000 1 1018 341 92 TYR CB C 37.939 0.003 1 1019 341 92 TYR CD1 C 132.812 0.000 3 1020 341 92 TYR CE1 C 118.459 0.000 3 1021 341 92 TYR N N 118.330 0.000 1 1022 342 93 GLY H H 8.034 0.000 1 1023 342 93 GLY HA2 H 3.733 0.000 . 1024 342 93 GLY HA3 H 4.199 0.000 2 1025 342 93 GLY C C 173.386 0.000 1 1026 342 93 GLY CA C 45.234 0.009 1 1027 342 93 GLY N N 107.353 0.000 1 1028 343 94 GLU H H 7.717 0.000 1 1029 343 94 GLU HA H 4.392 0.000 1 1030 343 94 GLU HB2 H 1.829 0.000 2 1031 343 94 GLU HB3 H 1.920 0.000 2 1032 343 94 GLU HG2 H 2.010 0.000 2 1033 343 94 GLU HG3 H 2.163 0.000 2 1034 343 94 GLU C C 176.199 0.000 1 1035 343 94 GLU CA C 54.504 0.000 1 1036 343 94 GLU CB C 30.522 0.001 1 1037 343 94 GLU CG C 35.818 0.001 1 1038 343 94 GLU N N 120.185 0.000 1 1039 344 95 VAL H H 8.849 0.000 1 1040 344 95 VAL HA H 4.197 0.000 1 1041 344 95 VAL HB H 2.034 0.000 1 1042 344 95 VAL HG1 H 0.939 0.000 . 1043 344 95 VAL HG2 H 1.020 0.000 . 1044 344 95 VAL C C 176.297 0.000 1 1045 344 95 VAL CA C 64.243 0.000 1 1046 344 95 VAL CB C 31.088 0.000 1 1047 344 95 VAL CG1 C 21.744 0.000 2 1048 344 95 VAL CG2 C 22.546 0.000 2 1049 344 95 VAL N N 126.429 0.000 1 1050 345 96 ILE H H 8.866 0.000 1 1051 345 96 ILE HA H 4.288 0.000 1 1052 345 96 ILE HB H 1.676 0.000 1 1053 345 96 ILE HD1 H 1.106 0.000 . 1054 345 96 ILE HG12 H 1.048 0.000 2 1055 345 96 ILE HG13 H 1.528 0.000 2 1056 345 96 ILE HG2 H 0.907 0.000 . 1057 345 96 ILE C C 175.066 0.000 1 1058 345 96 ILE CA C 61.753 0.000 1 1059 345 96 ILE CB C 39.645 0.000 1 1060 345 96 ILE CD1 C 14.415 0.000 1 1061 345 96 ILE CG1 C 26.724 0.001 1 1062 345 96 ILE CG2 C 18.980 0.000 1 1063 345 96 ILE N N 121.159 0.000 1 1064 346 97 PHE H H 7.549 0.000 1 1065 346 97 PHE HA H 4.746 0.000 1 1066 346 97 PHE HB2 H 2.453 0.000 2 1067 346 97 PHE HB3 H 2.915 0.000 2 1068 346 97 PHE HD1 H 6.739 0.001 3 1069 346 97 PHE HD2 H 6.739 0.001 3 1070 346 97 PHE HE1 H 7.303 0.001 3 1071 346 97 PHE HE2 H 7.303 0.001 3 1072 346 97 PHE C C 173.439 0.000 1 1073 346 97 PHE CA C 58.377 0.000 1 1074 346 97 PHE CB C 46.089 0.011 1 1075 346 97 PHE CD1 C 131.133 0.000 3 1076 346 97 PHE CE1 C 131.298 0.000 3 1077 346 97 PHE N N 116.335 0.000 1 1078 347 98 LEU H H 9.341 0.000 1 1079 347 98 LEU HA H 5.533 0.000 1 1080 347 98 LEU HB2 H 1.793 0.000 2 1081 347 98 LEU HB3 H 1.831 0.000 2 1082 347 98 LEU HD1 H 0.917 0.000 . 1083 347 98 LEU HD2 H 0.961 0.000 . 1084 347 98 LEU HG H 1.618 0.000 1 1085 347 98 LEU C C 175.889 0.000 1 1086 347 98 LEU CA C 55.460 0.000 1 1087 347 98 LEU CB C 46.099 0.002 1 1088 347 98 LEU CD1 C 25.676 0.000 2 1089 347 98 LEU CD2 C 25.847 0.000 2 1090 347 98 LEU CG C 27.451 0.000 1 1091 347 98 LEU N N 120.461 0.000 1 1092 348 99 GLY H H 9.159 0.000 1 1093 348 99 GLY HA2 H 3.869 0.000 . 1094 348 99 GLY HA3 H 4.544 0.000 2 1095 348 99 GLY C C 170.426 0.000 1 1096 348 99 GLY CA C 45.661 0.000 1 1097 348 99 GLY N N 110.715 0.000 1 1098 349 100 LYS H H 8.626 0.000 1 1099 349 100 LYS HA H 5.272 0.000 1 1100 349 100 LYS HB2 H 1.669 0.000 2 1101 349 100 LYS HB3 H 1.700 0.000 2 1102 349 100 LYS HD2 H 1.638 0.000 2 1103 349 100 LYS HD3 H 1.684 0.000 2 1104 349 100 LYS HE2 H 2.953 0.000 2 1105 349 100 LYS HE3 H 2.995 0.000 2 1106 349 100 LYS HG2 H 1.394 0.000 2 1107 349 100 LYS HG3 H 1.419 0.000 2 1108 349 100 LYS CA C 54.495 0.000 1 1109 349 100 LYS CB C 35.973 0.002 1 1110 349 100 LYS CD C 29.348 0.003 1 1111 349 100 LYS CE C 42.418 0.002 1 1112 349 100 LYS CG C 24.608 0.002 1 1113 349 100 LYS N N 119.686 0.000 1 1114 350 101 TYR H H 8.982 0.000 1 1115 350 101 TYR HA H 4.531 0.000 1 1116 350 101 TYR HB2 H 2.826 0.000 2 1117 350 101 TYR HB3 H 3.057 0.000 2 1118 350 101 TYR HD1 H 6.994 0.003 3 1119 350 101 TYR HD2 H 6.994 0.003 3 1120 350 101 TYR HE1 H 6.601 0.004 3 1121 350 101 TYR HE2 H 6.601 0.004 3 1122 350 101 TYR C C 175.553 0.000 1 1123 350 101 TYR CA C 57.961 0.000 1 1124 350 101 TYR CB C 39.973 0.021 1 1125 350 101 TYR CD1 C 132.507 0.000 3 1126 350 101 TYR CE1 C 118.457 0.000 3 1127 350 101 TYR N N 124.633 0.000 1 1128 351 102 GLY H H 9.266 0.000 1 1129 351 102 GLY HA2 H 3.618 0.000 . 1130 351 102 GLY HA3 H 4.244 0.000 2 1131 351 102 GLY CA C 45.922 0.002 1 1132 351 102 GLY N N 121.663 0.000 1 1133 352 103 SER HA H 4.328 0.000 1 1134 352 103 SER HB2 H 3.824 0.000 2 1135 352 103 SER HB3 H 3.989 0.000 2 1136 352 103 SER C C 173.706 0.000 1 1137 352 103 SER CA C 58.461 0.000 1 1138 352 103 SER CB C 63.802 0.006 1 1139 353 104 SER H H 7.772 0.000 1 1140 353 104 SER HA H 5.124 0.000 1 1141 353 104 SER HB2 H 3.912 0.000 2 1142 353 104 SER HB3 H 4.036 0.000 2 1143 353 104 SER CA C 55.091 0.000 1 1144 353 104 SER CB C 64.803 0.001 1 1145 353 104 SER N N 116.913 0.000 1 1146 354 105 PRO HA H 4.601 0.000 1 1147 354 105 PRO HB2 H 2.115 0.000 2 1148 354 105 PRO HB3 H 2.530 0.000 2 1149 354 105 PRO HD2 H 3.906 0.000 2 1150 354 105 PRO HD3 H 3.932 0.000 2 1151 354 105 PRO HG2 H 2.083 0.000 2 1152 354 105 PRO HG3 H 2.126 0.000 2 1153 354 105 PRO C C 175.209 0.000 1 1154 354 105 PRO CA C 64.747 0.000 1 1155 354 105 PRO CB C 32.352 0.002 1 1156 354 105 PRO CD C 51.003 0.000 1 1157 354 105 PRO CG C 27.435 0.002 1 1158 355 106 MET H H 7.532 0.000 1 1159 355 106 MET HA H 5.083 0.000 1 1160 355 106 MET HB2 H 1.923 0.000 2 1161 355 106 MET HB3 H 1.953 0.000 2 1162 355 106 MET HE H 1.983 0.000 . 1163 355 106 MET HG2 H 2.328 0.000 2 1164 355 106 MET HG3 H 2.404 0.000 2 1165 355 106 MET C C 175.020 0.000 1 1166 355 106 MET CA C 54.945 0.000 1 1167 355 106 MET CB C 33.749 0.002 1 1168 355 106 MET CE C 17.107 0.000 1 1169 355 106 MET CG C 32.139 0.002 1 1170 355 106 MET N N 115.682 0.000 1 1171 356 107 ILE H H 9.371 0.000 1 1172 356 107 ILE HA H 4.343 0.000 1 1173 356 107 ILE HB H 1.802 0.000 1 1174 356 107 ILE HD1 H 0.838 0.000 . 1175 356 107 ILE HG12 H 1.158 0.000 2 1176 356 107 ILE HG13 H 1.676 0.000 2 1177 356 107 ILE HG2 H 0.821 0.000 . 1178 356 107 ILE C C 174.639 0.000 1 1179 356 107 ILE CA C 60.558 0.000 1 1180 356 107 ILE CB C 41.211 0.000 1 1181 356 107 ILE CD1 C 15.338 0.000 1 1182 356 107 ILE CG1 C 27.831 0.004 1 1183 356 107 ILE CG2 C 18.642 0.000 1 1184 356 107 ILE N N 126.377 0.000 1 1185 357 108 ASN H H 8.766 0.000 1 1186 357 108 ASN HA H 5.168 0.000 1 1187 357 108 ASN HB2 H 2.468 0.000 2 1188 357 108 ASN HB3 H 2.799 0.000 2 1189 357 108 ASN HD21 H 6.965 0.003 2 1190 357 108 ASN HD22 H 7.524 0.000 2 1191 357 108 ASN C C 174.412 0.000 1 1192 357 108 ASN CA C 52.783 0.000 1 1193 357 108 ASN CB C 39.984 0.006 1 1194 357 108 ASN CG C 176.226 0.017 1 1195 357 108 ASN N N 124.709 0.000 1 1196 357 108 ASN ND2 N 113.162 0.000 1 1197 358 109 LEU H H 9.261 0.000 1 1198 358 109 LEU HA H 4.731 0.000 1 1199 358 109 LEU HB2 H 1.434 0.000 2 1200 358 109 LEU HB3 H 1.800 0.000 2 1201 358 109 LEU HD1 H 0.614 0.000 . 1202 358 109 LEU HD2 H 0.699 0.000 . 1203 358 109 LEU HG H 1.549 0.000 1 1204 358 109 LEU C C 175.812 0.000 1 1205 358 109 LEU CA C 55.122 0.000 1 1206 358 109 LEU CB C 42.900 0.005 1 1207 358 109 LEU CD1 C 24.811 0.000 2 1208 358 109 LEU CD2 C 26.189 0.000 2 1209 358 109 LEU CG C 28.581 0.000 1 1210 358 109 LEU N N 124.128 0.000 1 1211 359 110 ARG H H 8.514 0.000 1 1212 359 110 ARG HA H 5.320 0.000 1 1213 359 110 ARG HB2 H 1.763 0.000 2 1214 359 110 ARG HB3 H 2.053 0.000 2 1215 359 110 ARG HD2 H 3.280 0.000 2 1216 359 110 ARG HD3 H 3.311 0.000 2 1217 359 110 ARG HG2 H 1.741 0.000 2 1218 359 110 ARG HG3 H 1.789 0.000 2 1219 359 110 ARG CA C 53.504 0.000 1 1220 359 110 ARG CB C 32.343 0.006 1 1221 359 110 ARG CD C 43.385 0.000 1 1222 359 110 ARG CG C 27.600 0.000 1 1223 359 110 ARG N N 119.482 0.000 1 1224 360 111 PRO HA H 4.804 0.000 1 1225 360 111 PRO HB2 H 1.722 0.000 2 1226 360 111 PRO HB3 H 2.242 0.000 2 1227 360 111 PRO HD2 H 3.702 0.000 2 1228 360 111 PRO HD3 H 4.044 0.000 2 1229 360 111 PRO HG2 H 1.828 0.000 2 1230 360 111 PRO HG3 H 2.105 0.000 2 1231 360 111 PRO CA C 61.428 0.000 1 1232 360 111 PRO CB C 30.761 0.000 1 1233 360 111 PRO CD C 50.920 0.001 1 1234 360 111 PRO CG C 28.003 0.012 1 1235 361 112 PRO HA H 4.340 0.000 1 1236 361 112 PRO HB2 H 1.898 0.000 2 1237 361 112 PRO HB3 H 2.200 0.000 2 1238 361 112 PRO HD2 H 3.164 0.000 2 1239 361 112 PRO HD3 H 3.447 0.000 2 1240 361 112 PRO HG2 H 1.854 0.000 2 1241 361 112 PRO HG3 H 1.997 0.000 2 1242 361 112 PRO C C 176.541 0.000 1 1243 361 112 PRO CA C 63.060 0.000 1 1244 361 112 PRO CB C 31.929 0.003 1 1245 361 112 PRO CD C 50.252 0.002 1 1246 361 112 PRO CG C 27.445 0.004 1 1247 362 113 SER H H 8.367 0.000 1 1248 362 113 SER HA H 4.397 0.000 1 1249 362 113 SER HB2 H 3.850 0.000 2 1250 362 113 SER HB3 H 3.850 0.000 2 1251 362 113 SER C C 174.591 0.000 1 1252 362 113 SER CA C 58.360 0.000 1 1253 362 113 SER CB C 63.738 0.000 1 1254 362 113 SER N N 115.793 0.000 1 1255 363 114 ARG H H 8.426 0.000 1 1256 363 114 ARG HA H 4.393 0.000 1 1257 363 114 ARG HB2 H 1.749 0.000 2 1258 363 114 ARG HB3 H 1.891 0.000 2 1259 363 114 ARG HD2 H 3.193 0.000 2 1260 363 114 ARG HD3 H 3.193 0.000 2 1261 363 114 ARG HG2 H 1.593 0.000 2 1262 363 114 ARG HG3 H 1.655 0.000 2 1263 363 114 ARG C C 176.064 0.000 1 1264 363 114 ARG CA C 55.874 0.000 1 1265 363 114 ARG CB C 30.727 0.004 1 1266 363 114 ARG CD C 43.240 0.000 1 1267 363 114 ARG CG C 27.036 0.000 1 1268 363 114 ARG N N 123.034 0.000 1 1269 364 115 LEU H H 8.263 0.000 1 1270 364 115 LEU HA H 4.369 0.000 1 1271 364 115 LEU HB2 H 1.608 0.000 2 1272 364 115 LEU HB3 H 1.636 0.000 2 1273 364 115 LEU HD1 H 0.872 0.000 . 1274 364 115 LEU HD2 H 0.930 0.000 . 1275 364 115 LEU C C 177.278 0.000 1 1276 364 115 LEU CA C 55.258 0.000 1 1277 364 115 LEU CB C 42.347 0.002 1 1278 364 115 LEU CD1 C 23.400 0.000 2 1279 364 115 LEU CD2 C 24.960 0.000 2 1280 364 115 LEU N N 123.011 0.000 1 1281 365 116 SER H H 8.232 0.000 1 1282 365 116 SER HA H 4.438 0.000 1 1283 365 116 SER HB2 H 3.861 0.000 2 1284 365 116 SER HB3 H 3.861 0.000 2 1285 365 116 SER C C 173.904 0.000 1 1286 365 116 SER CA C 58.107 0.000 1 1287 365 116 SER CB C 63.896 0.000 1 1288 365 116 SER N N 116.166 0.000 1 1289 366 117 ALA H H 8.345 0.000 1 1290 366 117 ALA HA H 4.382 0.000 1 1291 366 117 ALA HB H 1.397 0.000 . 1292 366 117 ALA C C 176.605 0.000 1 1293 366 117 ALA CA C 52.442 0.000 1 1294 366 117 ALA CB C 19.434 0.000 1 1295 366 117 ALA N N 126.421 0.000 1 1296 367 118 GLU H H 7.926 0.000 1 1297 367 118 GLU HA H 4.105 0.000 1 1298 367 118 GLU HB2 H 1.877 0.000 2 1299 367 118 GLU HB3 H 2.044 0.000 2 1300 367 118 GLU HG2 H 2.198 0.000 2 1301 367 118 GLU HG3 H 2.198 0.000 2 1302 367 118 GLU CA C 58.012 0.000 1 1303 367 118 GLU CB C 31.206 0.001 1 1304 367 118 GLU CG C 36.720 0.000 1 1305 367 118 GLU N N 124.872 0.000 1 stop_ save_