data_17007 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of alpha-mannosidase binding domain of Atg34 ; _BMRB_accession_number 17007 _BMRB_flat_file_name bmr17007.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" 620 "13C chemical shifts" 455 "15N chemical shifts" 106 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 17006 'Alpha-mannosidase binding domain of ATG19' 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 Alpha-mannosidase_binding_domain_of_Atg34 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Alpha-mannosidase_binding_domain_of_Atg34 $Alpha-mannosidase_binding_domain_of_Atg34 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_Alpha-mannosidase_binding_domain_of_Atg34 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Alpha-mannosidase_binding_domain_of_Atg34 _Molecular_mass 12965.639 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 107 _Mol_residue_sequence ; GPHMNDPLLHVEVSNEDNSL HFILYNKTNIIIPGNCTFEF SSQISEVFSIKMGPHEIGIK GQKELWFFPSLPTPLSNYTM KVVNQDGETILVGKCADSNE ITLKSPL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 246 GLY 2 247 PRO 3 248 HIS 4 249 MET 5 250 ASN 6 251 ASP 7 252 PRO 8 253 LEU 9 254 LEU 10 255 HIS 11 256 VAL 12 257 GLU 13 258 VAL 14 259 SER 15 260 ASN 16 261 GLU 17 262 ASP 18 263 ASN 19 264 SER 20 265 LEU 21 266 HIS 22 267 PHE 23 268 ILE 24 269 LEU 25 270 TYR 26 271 ASN 27 272 LYS 28 273 THR 29 274 ASN 30 275 ILE 31 276 ILE 32 277 ILE 33 278 PRO 34 279 GLY 35 280 ASN 36 281 CYS 37 282 THR 38 283 PHE 39 284 GLU 40 285 PHE 41 286 SER 42 287 SER 43 288 GLN 44 289 ILE 45 290 SER 46 291 GLU 47 292 VAL 48 293 PHE 49 294 SER 50 295 ILE 51 296 LYS 52 297 MET 53 298 GLY 54 299 PRO 55 300 HIS 56 301 GLU 57 302 ILE 58 303 GLY 59 304 ILE 60 305 LYS 61 306 GLY 62 307 GLN 63 308 LYS 64 309 GLU 65 310 LEU 66 311 TRP 67 312 PHE 68 313 PHE 69 314 PRO 70 315 SER 71 316 LEU 72 317 PRO 73 318 THR 74 319 PRO 75 320 LEU 76 321 SER 77 322 ASN 78 323 TYR 79 324 THR 80 325 MET 81 326 LYS 82 327 VAL 83 328 VAL 84 329 ASN 85 330 GLN 86 331 ASP 87 332 GLY 88 333 GLU 89 334 THR 90 335 ILE 91 336 LEU 92 337 VAL 93 338 GLY 94 339 LYS 95 340 CYS 96 341 ALA 97 342 ASP 98 343 SER 99 344 ASN 100 345 GLU 101 346 ILE 102 347 THR 103 348 LEU 104 349 LYS 105 350 SER 106 351 PRO 107 352 LEU 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 2KZK "Solution Structure Of Alpha-mannosidase Binding Domain Of Atg34" 100.00 107 100.00 100.00 4.17e-71 DBJ GAA26245 "K7_Yol083wp [Saccharomyces cerevisiae Kyokai no. 7]" 96.26 412 100.00 100.00 5.47e-65 EMBL CAA58197 "orf 00957 [Saccharomyces cerevisiae]" 96.26 412 100.00 100.00 5.35e-65 EMBL CAA99095 "unnamed protein product [Saccharomyces cerevisiae]" 96.26 412 100.00 100.00 5.35e-65 EMBL CAY86209 "EC1118_1O4_0903p [Saccharomyces cerevisiae EC1118]" 96.26 412 98.06 100.00 7.45e-64 GB AHY77231 "Atg34p [Saccharomyces cerevisiae YJM993]" 96.26 412 98.06 100.00 7.45e-64 GB AJP41463 "Atg34p [Saccharomyces cerevisiae YJM1078]" 96.26 412 98.06 100.00 7.45e-64 GB AJT70882 "Atg34p [Saccharomyces cerevisiae YJM189]" 96.26 412 98.06 100.00 4.80e-64 GB AJT71373 "Atg34p [Saccharomyces cerevisiae YJM193]" 96.26 412 98.06 100.00 7.14e-64 GB AJT71861 "Atg34p [Saccharomyces cerevisiae YJM195]" 96.26 412 99.03 100.00 1.51e-64 REF NP_014558 "Atg34p [Saccharomyces cerevisiae S288c]" 96.26 412 100.00 100.00 5.35e-65 SP Q12292 "RecName: Full=Autophagy-related protein 34" 96.26 412 100.00 100.00 5.35e-65 TPG DAA10701 "TPA: Atg34p [Saccharomyces cerevisiae S288c]" 96.26 412 100.00 100.00 5.35e-65 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Alpha-mannosidase_binding_domain_of_Atg34 '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 $Alpha-mannosidase_binding_domain_of_Atg34 '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' $Alpha-mannosidase_binding_domain_of_Atg34 0.7 mM '[U-99% 13C; U-99% 15N]' 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '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 Alpha-mannosidase_binding_domain_of_Atg34 _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 1 246 5 ASN HA H 4.766 0.002 1 2 246 5 ASN HB2 H 2.743 0.000 2 3 246 5 ASN HB3 H 2.875 0.000 2 4 246 5 ASN HD21 H 6.966 0.002 2 5 246 5 ASN HD22 H 7.622 0.003 2 6 246 5 ASN C C 174.510 0.000 1 7 246 5 ASN CA C 53.221 0.020 1 8 246 5 ASN CB C 39.207 0.035 1 9 246 5 ASN CG C 177.129 0.008 1 10 246 5 ASN ND2 N 113.006 0.002 1 11 247 6 ASP H H 8.220 0.000 1 12 247 6 ASP HA H 4.905 0.001 1 13 247 6 ASP HB2 H 2.483 0.000 2 14 247 6 ASP HB3 H 2.708 0.000 2 15 247 6 ASP CA C 52.755 0.019 1 16 247 6 ASP CB C 40.708 0.016 1 17 247 6 ASP N N 121.733 0.000 1 18 248 7 PRO HA H 4.792 0.002 1 19 248 7 PRO HB2 H 2.016 0.000 2 20 248 7 PRO HB3 H 2.203 0.000 2 21 248 7 PRO HD2 H 3.791 0.000 2 22 248 7 PRO HD3 H 3.808 0.000 2 23 248 7 PRO HG2 H 2.109 0.000 2 24 248 7 PRO HG3 H 2.262 0.000 2 25 248 7 PRO C C 176.161 0.000 1 26 248 7 PRO CA C 62.838 0.007 1 27 248 7 PRO CB C 31.694 0.060 1 28 248 7 PRO CD C 50.413 0.000 1 29 248 7 PRO CG C 27.837 0.004 1 30 249 8 LEU H H 7.447 0.000 1 31 249 8 LEU HA H 4.794 0.003 1 32 249 8 LEU HB2 H 1.466 0.000 2 33 249 8 LEU HB3 H 1.476 0.000 2 34 249 8 LEU HD1 H 0.885 0.000 . 35 249 8 LEU HD2 H 0.863 0.000 . 36 249 8 LEU HG H 1.624 0.000 1 37 249 8 LEU C C 174.251 0.000 1 38 249 8 LEU CA C 54.503 0.035 1 39 249 8 LEU CB C 45.018 0.006 1 40 249 8 LEU CD1 C 25.338 0.000 2 41 249 8 LEU CD2 C 25.791 0.000 2 42 249 8 LEU CG C 25.621 0.000 1 43 249 8 LEU N N 123.064 0.000 1 44 250 9 LEU H H 8.953 0.000 1 45 250 9 LEU HA H 5.026 0.008 1 46 250 9 LEU HB2 H 1.335 0.000 2 47 250 9 LEU HB3 H 1.852 0.000 2 48 250 9 LEU HD1 H 0.802 0.000 . 49 250 9 LEU HD2 H 0.793 0.000 . 50 250 9 LEU HG H 1.512 0.000 1 51 250 9 LEU C C 174.630 0.000 1 52 250 9 LEU CA C 53.658 0.024 1 53 250 9 LEU CB C 44.998 0.056 1 54 250 9 LEU CD1 C 24.150 0.000 2 55 250 9 LEU CD2 C 27.019 0.000 2 56 250 9 LEU CG C 26.988 0.000 1 57 250 9 LEU N N 121.734 0.000 1 58 251 10 HIS H H 8.863 0.000 1 59 251 10 HIS HA H 5.039 0.006 1 60 251 10 HIS HB2 H 3.063 0.000 2 61 251 10 HIS HB3 H 3.287 0.000 2 62 251 10 HIS HD2 H 6.856 0.002 1 63 251 10 HIS C C 173.910 0.000 1 64 251 10 HIS CA C 55.983 0.018 1 65 251 10 HIS CB C 32.794 0.061 1 66 251 10 HIS CD2 C 119.397 0.000 1 67 251 10 HIS N N 128.669 0.000 1 68 252 11 VAL H H 9.152 0.000 1 69 252 11 VAL HA H 5.124 0.009 1 70 252 11 VAL HB H 2.012 0.000 1 71 252 11 VAL HG1 H 0.821 0.000 . 72 252 11 VAL HG2 H 0.811 0.000 . 73 252 11 VAL C C 174.518 0.000 1 74 252 11 VAL CA C 60.599 0.030 1 75 252 11 VAL CB C 34.432 0.018 1 76 252 11 VAL CG1 C 21.891 0.000 2 77 252 11 VAL CG2 C 22.422 0.000 2 78 252 11 VAL N N 125.800 0.000 1 79 253 12 GLU H H 8.932 0.000 1 80 253 12 GLU HA H 5.252 0.019 1 81 253 12 GLU HB2 H 1.926 0.000 2 82 253 12 GLU HB3 H 2.000 0.000 2 83 253 12 GLU HG2 H 2.165 0.000 2 84 253 12 GLU HG3 H 2.273 0.000 2 85 253 12 GLU C C 175.629 0.000 1 86 253 12 GLU CA C 54.249 0.025 1 87 253 12 GLU CB C 32.794 0.089 1 88 253 12 GLU CG C 36.467 0.002 1 89 253 12 GLU N N 126.016 0.000 1 90 254 13 VAL H H 8.594 0.000 1 91 254 13 VAL HA H 4.565 0.004 1 92 254 13 VAL HB H 1.576 0.000 1 93 254 13 VAL HG1 H 0.382 0.000 . 94 254 13 VAL HG2 H 0.419 0.000 . 95 254 13 VAL C C 174.356 0.000 1 96 254 13 VAL CA C 60.276 0.021 1 97 254 13 VAL CB C 34.325 0.035 1 98 254 13 VAL CG1 C 20.758 0.000 2 99 254 13 VAL CG2 C 22.013 0.000 2 100 254 13 VAL N N 124.675 0.000 1 101 255 14 SER H H 8.525 0.000 1 102 255 14 SER HA H 4.593 0.009 1 103 255 14 SER HB2 H 3.764 0.000 2 104 255 14 SER HB3 H 3.803 0.000 2 105 255 14 SER C C 172.510 0.000 1 106 255 14 SER CA C 56.711 0.013 1 107 255 14 SER CB C 65.495 0.046 1 108 255 14 SER N N 118.993 0.000 1 109 256 15 ASN H H 8.606 0.000 1 110 256 15 ASN HA H 5.312 0.020 1 111 256 15 ASN HB2 H 2.572 0.000 2 112 256 15 ASN HB3 H 2.803 0.000 2 113 256 15 ASN HD21 H 6.915 0.004 2 114 256 15 ASN HD22 H 7.284 0.002 2 115 256 15 ASN C C 174.874 0.000 1 116 256 15 ASN CA C 52.975 0.017 1 117 256 15 ASN CB C 40.070 0.040 1 118 256 15 ASN CG C 176.622 0.005 1 119 256 15 ASN N N 120.244 0.000 1 120 256 15 ASN ND2 N 111.855 0.000 1 121 257 16 GLU H H 8.553 0.000 1 122 257 16 GLU HA H 4.611 0.007 1 123 257 16 GLU HB2 H 1.910 0.000 2 124 257 16 GLU HB3 H 2.103 0.000 2 125 257 16 GLU HG2 H 2.215 0.000 2 126 257 16 GLU HG3 H 2.249 0.000 2 127 257 16 GLU C C 175.388 0.000 1 128 257 16 GLU CA C 55.392 0.022 1 129 257 16 GLU CB C 32.311 0.087 1 130 257 16 GLU CG C 36.104 0.002 1 131 257 16 GLU N N 123.648 0.000 1 132 258 17 ASP H H 9.147 0.000 1 133 258 17 ASP HA H 4.303 0.014 1 134 258 17 ASP HB2 H 2.645 0.000 2 135 258 17 ASP HB3 H 2.899 0.000 2 136 258 17 ASP C C 176.118 0.000 1 137 258 17 ASP CA C 56.135 0.030 1 138 258 17 ASP CB C 39.593 0.079 1 139 258 17 ASP N N 123.207 0.000 1 140 259 18 ASN H H 8.843 0.000 1 141 259 18 ASN HA H 4.660 0.002 1 142 259 18 ASN HB2 H 2.929 0.000 2 143 259 18 ASN HB3 H 3.246 0.000 2 144 259 18 ASN HD21 H 6.974 0.003 2 145 259 18 ASN HD22 H 7.695 0.002 2 146 259 18 ASN C C 173.648 0.000 1 147 259 18 ASN CA C 54.014 0.016 1 148 259 18 ASN CB C 38.155 0.030 1 149 259 18 ASN CG C 178.644 0.002 1 150 259 18 ASN N N 115.204 0.000 1 151 259 18 ASN ND2 N 112.659 0.001 1 152 260 19 SER H H 7.825 0.000 1 153 260 19 SER HA H 5.003 0.008 1 154 260 19 SER HB2 H 3.804 0.000 2 155 260 19 SER HB3 H 3.965 0.000 2 156 260 19 SER C C 173.599 0.000 1 157 260 19 SER CA C 57.805 0.023 1 158 260 19 SER CB C 67.046 0.048 1 159 260 19 SER N N 111.733 0.000 1 160 261 20 LEU H H 9.253 0.000 1 161 261 20 LEU HA H 4.850 0.004 1 162 261 20 LEU HB2 H 0.913 0.000 2 163 261 20 LEU HB3 H 1.784 0.000 2 164 261 20 LEU HD1 H 0.686 0.000 . 165 261 20 LEU HD2 H 0.735 0.000 . 166 261 20 LEU HG H 1.583 0.000 1 167 261 20 LEU C C 174.266 0.000 1 168 261 20 LEU CA C 54.018 0.023 1 169 261 20 LEU CB C 44.899 0.037 1 170 261 20 LEU CD1 C 23.883 0.000 2 171 261 20 LEU CD2 C 26.030 0.000 2 172 261 20 LEU CG C 27.099 0.000 1 173 261 20 LEU N N 119.526 0.000 1 174 262 21 HIS H H 8.700 0.000 1 175 262 21 HIS HA H 4.704 0.001 1 176 262 21 HIS HB2 H 2.259 0.000 2 177 262 21 HIS HB3 H 3.082 0.000 2 178 262 21 HIS HD2 H 5.656 0.002 1 179 262 21 HIS C C 172.653 0.000 1 180 262 21 HIS CA C 51.204 0.020 1 181 262 21 HIS CB C 30.760 0.068 1 182 262 21 HIS CD2 C 116.728 0.000 1 183 262 21 HIS N N 122.510 0.000 1 184 263 22 PHE H H 8.949 0.000 1 185 263 22 PHE HA H 5.038 0.007 1 186 263 22 PHE HB2 H 2.104 0.000 2 187 263 22 PHE HB3 H 2.288 0.000 2 188 263 22 PHE HD1 H 6.531 0.004 3 189 263 22 PHE HD2 H 6.531 0.004 3 190 263 22 PHE HE1 H 5.675 0.001 3 191 263 22 PHE HE2 H 5.675 0.001 3 192 263 22 PHE C C 174.876 0.000 1 193 263 22 PHE CA C 55.708 0.035 1 194 263 22 PHE CB C 41.751 0.039 1 195 263 22 PHE CD1 C 131.395 0.000 3 196 263 22 PHE CE1 C 128.736 0.000 3 197 263 22 PHE N N 124.343 0.000 1 198 264 23 ILE H H 8.759 0.000 1 199 264 23 ILE HA H 4.269 0.012 1 200 264 23 ILE HB H 1.492 0.000 1 201 264 23 ILE HD1 H 0.489 0.000 . 202 264 23 ILE HG12 H 0.455 0.000 2 203 264 23 ILE HG13 H 0.903 0.000 2 204 264 23 ILE HG2 H 0.368 0.000 . 205 264 23 ILE C C 173.881 0.000 1 206 264 23 ILE CA C 61.442 0.024 1 207 264 23 ILE CB C 39.389 0.055 1 208 264 23 ILE CD1 C 13.196 0.000 1 209 264 23 ILE CG1 C 27.224 0.002 1 210 264 23 ILE CG2 C 17.528 0.000 1 211 264 23 ILE N N 120.477 0.000 1 212 265 24 LEU H H 8.973 0.000 1 213 265 24 LEU HA H 4.968 0.011 1 214 265 24 LEU HB2 H 1.338 0.000 2 215 265 24 LEU HB3 H 1.704 0.000 2 216 265 24 LEU HD1 H 0.339 0.000 . 217 265 24 LEU HD2 H 0.457 0.000 . 218 265 24 LEU HG H 1.476 0.000 1 219 265 24 LEU C C 175.616 0.000 1 220 265 24 LEU CA C 54.268 0.044 1 221 265 24 LEU CB C 43.303 0.120 1 222 265 24 LEU CD1 C 23.520 0.000 2 223 265 24 LEU CD2 C 25.950 0.000 2 224 265 24 LEU CG C 29.749 0.000 1 225 265 24 LEU N N 128.655 0.000 1 226 266 25 TYR H H 9.475 0.000 1 227 266 25 TYR HA H 5.115 0.017 1 228 266 25 TYR HB2 H 3.024 0.000 2 229 266 25 TYR HB3 H 3.062 0.000 2 230 266 25 TYR HD1 H 7.021 0.001 3 231 266 25 TYR HD2 H 7.021 0.001 3 232 266 25 TYR HE1 H 6.616 0.002 3 233 266 25 TYR HE2 H 6.616 0.002 3 234 266 25 TYR C C 176.007 0.000 1 235 266 25 TYR CA C 55.833 0.028 1 236 266 25 TYR CB C 39.930 0.046 1 237 266 25 TYR CD1 C 133.005 0.000 3 238 266 25 TYR CE1 C 118.004 0.000 3 239 266 25 TYR N N 119.541 0.000 1 240 267 26 ASN H H 8.979 0.000 1 241 267 26 ASN HA H 4.813 0.003 1 242 267 26 ASN HB2 H 2.258 0.000 2 243 267 26 ASN HB3 H 3.498 0.000 2 244 267 26 ASN HD21 H 6.608 0.002 2 245 267 26 ASN HD22 H 8.268 0.000 2 246 267 26 ASN C C 174.491 0.000 1 247 267 26 ASN CA C 53.501 0.040 1 248 267 26 ASN CB C 37.675 0.075 1 249 267 26 ASN N N 122.002 0.000 1 250 267 26 ASN ND2 N 111.776 0.016 1 251 268 27 LYS H H 8.009 0.000 1 252 268 27 LYS HA H 4.793 0.004 1 253 268 27 LYS HB2 H 2.029 0.000 2 254 268 27 LYS HB3 H 2.301 0.000 2 255 268 27 LYS HD2 H 1.566 0.000 2 256 268 27 LYS HD3 H 1.630 0.000 2 257 268 27 LYS HE2 H 2.712 0.000 2 258 268 27 LYS HE3 H 2.800 0.000 2 259 268 27 LYS HG2 H 1.253 0.000 2 260 268 27 LYS HG3 H 1.313 0.000 2 261 268 27 LYS C C 177.631 0.000 1 262 268 27 LYS CA C 55.478 0.004 1 263 268 27 LYS CB C 31.253 0.016 1 264 268 27 LYS CD C 29.207 0.007 1 265 268 27 LYS CE C 41.922 0.002 1 266 268 27 LYS CG C 25.325 0.003 1 267 268 27 LYS N N 129.830 0.000 1 268 269 28 THR H H 7.707 0.000 1 269 269 28 THR HB H 4.411 0.000 1 270 269 28 THR HG1 H 6.052 0.000 1 271 269 28 THR HG2 H 1.137 0.000 . 272 269 28 THR CA C 61.806 0.000 1 273 269 28 THR CB C 69.874 0.000 1 274 269 28 THR CG2 C 21.708 0.000 1 275 269 28 THR N N 109.768 0.000 1 276 270 29 ASN H H 8.422 0.000 1 277 270 29 ASN HB2 H 2.891 0.000 2 278 270 29 ASN HB3 H 3.021 0.000 2 279 270 29 ASN HD21 H 7.014 0.004 2 280 270 29 ASN HD22 H 7.603 0.002 2 281 270 29 ASN CB C 38.740 0.001 1 282 270 29 ASN CG C 178.003 0.006 1 283 270 29 ASN N N 112.948 0.000 1 284 270 29 ASN ND2 N 112.846 0.002 1 285 271 30 ILE H H 8.606 0.000 1 286 271 30 ILE HA H 4.498 0.014 1 287 271 30 ILE HB H 1.818 0.000 1 288 271 30 ILE HD1 H 0.799 0.000 . 289 271 30 ILE HG12 H 1.045 0.000 2 290 271 30 ILE HG13 H 1.368 0.000 2 291 271 30 ILE HG2 H 0.877 0.000 . 292 271 30 ILE C C 174.143 0.000 1 293 271 30 ILE CA C 59.707 0.019 1 294 271 30 ILE CB C 41.709 0.057 1 295 271 30 ILE CD1 C 13.603 0.000 1 296 271 30 ILE CG1 C 26.220 0.004 1 297 271 30 ILE CG2 C 17.975 0.000 1 298 271 30 ILE N N 112.207 0.000 1 299 272 31 ILE H H 8.070 0.000 1 300 272 31 ILE HA H 3.793 0.007 1 301 272 31 ILE HB H 1.624 0.000 1 302 272 31 ILE HD1 H 0.894 0.000 . 303 272 31 ILE HG12 H 1.059 0.000 2 304 272 31 ILE HG13 H 1.640 0.000 2 305 272 31 ILE HG2 H 0.658 0.000 . 306 272 31 ILE C C 176.877 0.000 1 307 272 31 ILE CA C 61.595 0.009 1 308 272 31 ILE CB C 38.928 0.083 1 309 272 31 ILE CD1 C 13.632 0.000 1 310 272 31 ILE CG1 C 28.840 0.001 1 311 272 31 ILE CG2 C 17.896 0.000 1 312 272 31 ILE N N 122.376 0.000 1 313 273 32 ILE H H 8.374 0.000 1 314 273 32 ILE HA H 4.309 0.003 1 315 273 32 ILE HB H 1.907 0.000 1 316 273 32 ILE HD1 H 0.704 0.000 . 317 273 32 ILE HG12 H 1.153 0.000 2 318 273 32 ILE HG13 H 1.549 0.000 2 319 273 32 ILE HG2 H 0.987 0.000 . 320 273 32 ILE CA C 58.097 0.012 1 321 273 32 ILE CB C 37.877 0.014 1 322 273 32 ILE CD1 C 12.775 0.000 1 323 273 32 ILE CG1 C 28.010 0.003 1 324 273 32 ILE CG2 C 16.821 0.000 1 325 273 32 ILE N N 130.793 0.000 1 326 274 33 PRO HA H 4.442 0.016 1 327 274 33 PRO HB2 H 2.091 0.000 2 328 274 33 PRO HB3 H 2.373 0.000 2 329 274 33 PRO HD2 H 3.427 0.000 2 330 274 33 PRO HD3 H 3.935 0.000 2 331 274 33 PRO HG2 H 1.816 0.000 2 332 274 33 PRO HG3 H 2.038 0.000 2 333 274 33 PRO C C 176.288 0.000 1 334 274 33 PRO CA C 62.317 0.018 1 335 274 33 PRO CB C 33.026 0.019 1 336 274 33 PRO CD C 50.883 0.001 1 337 274 33 PRO CG C 27.089 0.004 1 338 275 34 GLY H H 8.449 0.000 1 339 275 34 GLY HA2 H 3.473 0.000 . 340 275 34 GLY HA3 H 3.814 0.000 2 341 275 34 GLY C C 173.352 0.000 1 342 275 34 GLY CA C 44.652 0.026 1 343 275 34 GLY N N 103.284 0.000 1 344 276 35 ASN H H 8.762 0.000 1 345 276 35 ASN HA H 4.225 0.018 1 346 276 35 ASN HB2 H 3.013 0.000 2 347 276 35 ASN HB3 H 3.038 0.000 2 348 276 35 ASN HD21 H 6.939 0.004 2 349 276 35 ASN HD22 H 7.476 0.003 2 350 276 35 ASN C C 175.223 0.000 1 351 276 35 ASN CA C 54.558 0.017 1 352 276 35 ASN CB C 36.904 0.042 1 353 276 35 ASN CG C 178.848 0.005 1 354 276 35 ASN N N 112.632 0.000 1 355 276 35 ASN ND2 N 114.339 0.001 1 356 277 36 CYS H H 8.978 0.000 1 357 277 36 CYS HA H 4.920 0.007 1 358 277 36 CYS HB2 H 2.604 0.000 2 359 277 36 CYS HB3 H 3.298 0.000 2 360 277 36 CYS C C 175.648 0.000 1 361 277 36 CYS CA C 60.316 0.020 1 362 277 36 CYS CB C 30.036 0.019 1 363 277 36 CYS N N 115.122 0.000 1 364 278 37 THR H H 9.487 0.000 1 365 278 37 THR HA H 4.827 0.003 1 366 278 37 THR HB H 3.927 0.000 1 367 278 37 THR HG2 H 1.129 0.000 . 368 278 37 THR C C 171.852 0.000 1 369 278 37 THR CA C 61.088 0.055 1 370 278 37 THR CB C 71.008 0.034 1 371 278 37 THR CG2 C 22.994 0.000 1 372 278 37 THR N N 114.787 0.000 1 373 279 38 PHE H H 9.151 0.000 1 374 279 38 PHE HA H 5.280 0.007 1 375 279 38 PHE HB2 H 2.887 0.000 2 376 279 38 PHE HB3 H 3.090 0.000 2 377 279 38 PHE HD1 H 6.713 0.000 3 378 279 38 PHE HD2 H 6.713 0.000 3 379 279 38 PHE HE1 H 6.106 0.002 3 380 279 38 PHE HE2 H 6.106 0.002 3 381 279 38 PHE HZ H 6.665 0.000 1 382 279 38 PHE C C 173.996 0.000 1 383 279 38 PHE CA C 56.316 0.012 1 384 279 38 PHE CB C 40.766 0.036 1 385 279 38 PHE CD1 C 131.297 0.000 3 386 279 38 PHE CE1 C 129.638 0.000 3 387 279 38 PHE CZ C 128.119 0.000 1 388 279 38 PHE N N 126.352 0.000 1 389 280 39 GLU H H 8.901 0.000 1 390 280 39 GLU HA H 5.465 0.012 1 391 280 39 GLU HB2 H 1.581 0.000 2 392 280 39 GLU HB3 H 1.704 0.000 2 393 280 39 GLU HG2 H 1.906 0.000 2 394 280 39 GLU HG3 H 2.043 0.000 2 395 280 39 GLU C C 175.016 0.000 1 396 280 39 GLU CA C 53.778 0.031 1 397 280 39 GLU CB C 33.601 0.001 1 398 280 39 GLU CG C 36.653 0.001 1 399 280 39 GLU N N 126.682 0.000 1 400 281 40 PHE H H 8.980 0.000 1 401 281 40 PHE HA H 5.931 0.007 1 402 281 40 PHE HB2 H 2.874 0.000 2 403 281 40 PHE HB3 H 2.956 0.000 2 404 281 40 PHE HD1 H 6.830 0.001 3 405 281 40 PHE HD2 H 6.830 0.001 3 406 281 40 PHE HE1 H 6.544 0.001 3 407 281 40 PHE HE2 H 6.557 0.003 3 408 281 40 PHE HZ H 5.658 0.000 1 409 281 40 PHE C C 173.334 0.000 1 410 281 40 PHE CA C 54.732 0.029 1 411 281 40 PHE CB C 41.192 0.030 1 412 281 40 PHE CD1 C 132.185 0.000 3 413 281 40 PHE CE1 C 130.316 0.000 3 414 281 40 PHE CE2 C 130.562 0.000 3 415 281 40 PHE CZ C 129.260 0.000 1 416 281 40 PHE N N 118.606 0.000 1 417 282 41 SER H H 8.659 0.000 1 418 282 41 SER HA H 5.001 0.011 1 419 282 41 SER HB2 H 3.759 0.000 2 420 282 41 SER HB3 H 3.800 0.000 2 421 282 41 SER C C 172.862 0.000 1 422 282 41 SER CA C 57.040 0.024 1 423 282 41 SER CB C 66.126 0.042 1 424 282 41 SER N N 112.493 0.000 1 425 283 42 SER H H 9.072 0.000 1 426 283 42 SER HA H 4.200 0.019 1 427 283 42 SER HB2 H 2.777 0.000 2 428 283 42 SER HB3 H 3.718 0.000 2 429 283 42 SER C C 174.887 0.000 1 430 283 42 SER CA C 56.358 0.018 1 431 283 42 SER CB C 65.084 0.039 1 432 283 42 SER N N 119.732 0.000 1 433 284 43 GLN H H 8.588 0.000 1 434 284 43 GLN HA H 4.324 0.015 1 435 284 43 GLN HB2 H 2.105 0.000 2 436 284 43 GLN HB3 H 2.167 0.000 2 437 284 43 GLN HE21 H 6.872 0.003 2 438 284 43 GLN HE22 H 7.539 0.003 2 439 284 43 GLN HG2 H 2.406 0.000 2 440 284 43 GLN HG3 H 2.430 0.000 2 441 284 43 GLN C C 176.625 0.000 1 442 284 43 GLN CA C 57.130 0.025 1 443 284 43 GLN CB C 29.407 0.023 1 444 284 43 GLN CD C 180.474 0.011 1 445 284 43 GLN CG C 33.793 0.004 1 446 284 43 GLN N N 118.414 0.000 1 447 284 43 GLN NE2 N 112.101 0.004 1 448 285 44 ILE H H 7.701 0.000 1 449 285 44 ILE HA H 4.374 0.019 1 450 285 44 ILE HB H 2.036 0.000 1 451 285 44 ILE HD1 H 0.868 0.000 . 452 285 44 ILE HG12 H 1.086 0.000 2 453 285 44 ILE HG13 H 1.251 0.000 2 454 285 44 ILE HG2 H 0.892 0.000 . 455 285 44 ILE C C 175.749 0.000 1 456 285 44 ILE CA C 61.442 0.013 1 457 285 44 ILE CB C 38.592 0.101 1 458 285 44 ILE CD1 C 13.842 0.000 1 459 285 44 ILE CG1 C 26.944 0.001 1 460 285 44 ILE CG2 C 17.710 0.000 1 461 285 44 ILE N N 112.350 0.000 1 462 286 45 SER H H 7.600 0.000 1 463 286 45 SER HA H 4.277 0.008 1 464 286 45 SER HB2 H 3.892 0.000 2 465 286 45 SER HB3 H 4.193 0.000 2 466 286 45 SER C C 174.133 0.000 1 467 286 45 SER CA C 58.726 0.022 1 468 286 45 SER CB C 64.355 0.008 1 469 286 45 SER N N 115.228 0.000 1 470 287 46 GLU H H 7.713 0.000 1 471 287 46 GLU HA H 4.236 0.020 1 472 287 46 GLU HB2 H 1.673 0.000 2 473 287 46 GLU HB3 H 1.757 0.000 2 474 287 46 GLU HG2 H 1.839 0.000 2 475 287 46 GLU HG3 H 1.883 0.000 2 476 287 46 GLU C C 173.978 0.000 1 477 287 46 GLU CA C 55.700 0.026 1 478 287 46 GLU CB C 30.637 0.018 1 479 287 46 GLU CG C 36.174 0.000 1 480 287 46 GLU N N 119.979 0.000 1 481 288 47 VAL H H 8.068 0.000 1 482 288 47 VAL HA H 3.798 0.010 1 483 288 47 VAL HB H 1.740 0.000 1 484 288 47 VAL HG1 H 0.756 0.000 . 485 288 47 VAL HG2 H 0.640 0.000 . 486 288 47 VAL C C 174.880 0.000 1 487 288 47 VAL CA C 62.293 0.047 1 488 288 47 VAL CB C 32.534 0.025 1 489 288 47 VAL CG1 C 20.930 0.000 2 490 288 47 VAL CG2 C 21.096 0.000 2 491 288 47 VAL N N 122.088 0.000 1 492 289 48 PHE H H 8.239 0.000 1 493 289 48 PHE HA H 4.664 0.002 1 494 289 48 PHE HB2 H 1.005 0.000 2 495 289 48 PHE HB3 H 2.029 0.000 2 496 289 48 PHE HD1 H 7.056 0.001 3 497 289 48 PHE HD2 H 7.056 0.001 3 498 289 48 PHE HE1 H 7.408 0.000 3 499 289 48 PHE HE2 H 7.408 0.000 3 500 289 48 PHE HZ H 7.303 0.000 1 501 289 48 PHE C C 174.373 0.000 1 502 289 48 PHE CA C 56.300 0.032 1 503 289 48 PHE CB C 39.192 0.049 1 504 289 48 PHE CD1 C 132.338 0.000 3 505 289 48 PHE CE1 C 130.716 0.000 3 506 289 48 PHE CZ C 129.088 0.000 1 507 289 48 PHE N N 130.181 0.000 1 508 290 49 SER H H 8.489 0.000 1 509 290 49 SER HA H 5.557 0.004 1 510 290 49 SER HB2 H 3.591 0.000 2 511 290 49 SER HB3 H 3.689 0.000 2 512 290 49 SER C C 173.891 0.000 1 513 290 49 SER CA C 56.859 0.031 1 514 290 49 SER CB C 65.642 0.043 1 515 290 49 SER N N 113.860 0.000 1 516 291 50 ILE H H 9.534 0.000 1 517 291 50 ILE HA H 4.621 0.003 1 518 291 50 ILE HB H 2.012 0.000 1 519 291 50 ILE HD1 H 0.980 0.000 . 520 291 50 ILE HG12 H 1.590 0.000 2 521 291 50 ILE HG13 H 1.987 0.000 2 522 291 50 ILE HG2 H 1.279 0.000 . 523 291 50 ILE C C 176.245 0.000 1 524 291 50 ILE CA C 60.729 0.018 1 525 291 50 ILE CB C 42.513 0.021 1 526 291 50 ILE CD1 C 16.080 0.000 1 527 291 50 ILE CG1 C 27.209 0.000 1 528 291 50 ILE CG2 C 18.849 0.000 1 529 291 50 ILE N N 123.747 0.000 1 530 292 51 LYS H H 9.113 0.000 1 531 292 51 LYS HA H 4.356 0.014 1 532 292 51 LYS HB2 H 1.929 0.000 2 533 292 51 LYS HB3 H 2.042 0.000 2 534 292 51 LYS HD2 H 1.747 0.000 2 535 292 51 LYS HD3 H 1.769 0.000 2 536 292 51 LYS HE2 H 3.042 0.000 2 537 292 51 LYS HE3 H 3.059 0.000 2 538 292 51 LYS HG2 H 1.518 0.000 2 539 292 51 LYS HG3 H 1.716 0.000 2 540 292 51 LYS C C 177.416 0.000 1 541 292 51 LYS CA C 57.949 0.028 1 542 292 51 LYS CB C 31.976 0.034 1 543 292 51 LYS CD C 29.231 0.006 1 544 292 51 LYS CE C 42.164 0.002 1 545 292 51 LYS CG C 25.265 0.001 1 546 292 51 LYS N N 127.813 0.000 1 547 293 52 MET H H 8.400 0.000 1 548 293 52 MET HA H 4.171 0.008 1 549 293 52 MET HB2 H 2.275 0.000 2 550 293 52 MET HB3 H 2.307 0.000 2 551 293 52 MET HE H 1.871 0.000 . 552 293 52 MET HG2 H 2.365 0.000 2 553 293 52 MET HG3 H 2.455 0.000 2 554 293 52 MET C C 176.604 0.000 1 555 293 52 MET CA C 58.117 0.024 1 556 293 52 MET CB C 33.684 0.012 1 557 293 52 MET CE C 15.741 0.000 1 558 293 52 MET CG C 32.722 0.008 1 559 293 52 MET N N 122.494 0.000 1 560 294 53 GLY H H 8.379 0.000 1 561 294 53 GLY HA2 H 3.951 0.000 . 562 294 53 GLY HA3 H 4.635 0.000 2 563 294 53 GLY CA C 44.837 0.007 1 564 294 53 GLY N N 107.201 0.000 1 565 295 54 PRO HA H 4.349 0.017 1 566 295 54 PRO HB2 H 1.807 0.000 2 567 295 54 PRO HB3 H 2.157 0.000 2 568 295 54 PRO HD2 H 3.508 0.000 2 569 295 54 PRO HD3 H 3.664 0.000 2 570 295 54 PRO HG2 H 1.256 0.000 2 571 295 54 PRO HG3 H 1.956 0.000 2 572 295 54 PRO C C 176.453 0.000 1 573 295 54 PRO CA C 64.245 0.004 1 574 295 54 PRO CB C 32.523 0.017 1 575 295 54 PRO CD C 49.713 0.002 1 576 295 54 PRO CG C 26.178 0.003 1 577 296 55 HIS H H 7.939 0.000 1 578 296 55 HIS HA H 4.802 0.004 1 579 296 55 HIS HB2 H 3.083 0.000 2 580 296 55 HIS HB3 H 3.234 0.000 2 581 296 55 HIS HD2 H 7.128 0.001 1 582 296 55 HIS C C 175.633 0.000 1 583 296 55 HIS CA C 55.943 0.021 1 584 296 55 HIS CB C 31.391 0.052 1 585 296 55 HIS CD2 C 119.767 0.000 1 586 296 55 HIS N N 119.195 0.000 1 587 297 56 GLU H H 8.832 0.000 1 588 297 56 GLU HA H 4.303 0.003 1 589 297 56 GLU HB2 H 1.888 0.000 2 590 297 56 GLU HB3 H 1.998 0.000 2 591 297 56 GLU HG2 H 2.168 0.000 2 592 297 56 GLU HG3 H 2.261 0.000 2 593 297 56 GLU C C 176.697 0.000 1 594 297 56 GLU CA C 55.855 0.029 1 595 297 56 GLU CB C 30.026 0.016 1 596 297 56 GLU CG C 35.656 0.010 1 597 297 56 GLU N N 122.491 0.000 1 598 298 57 ILE H H 8.941 0.000 1 599 298 57 ILE HA H 4.348 0.012 1 600 298 57 ILE HB H 1.790 0.000 1 601 298 57 ILE HD1 H 0.703 0.000 . 602 298 57 ILE HG12 H 0.870 0.000 2 603 298 57 ILE HG13 H 1.671 0.000 2 604 298 57 ILE HG2 H 0.862 0.000 . 605 298 57 ILE C C 176.214 0.000 1 606 298 57 ILE CA C 61.211 0.013 1 607 298 57 ILE CB C 38.566 0.058 1 608 298 57 ILE CD1 C 14.377 0.000 1 609 298 57 ILE CG1 C 26.655 0.001 1 610 298 57 ILE CG2 C 17.611 0.000 1 611 298 57 ILE N N 121.453 0.000 1 612 299 58 GLY H H 8.805 0.000 1 613 299 58 GLY HA2 H 3.827 0.000 . 614 299 58 GLY HA3 H 4.117 0.000 2 615 299 58 GLY C C 174.504 0.000 1 616 299 58 GLY CA C 44.822 0.027 1 617 299 58 GLY N N 112.842 0.000 1 618 300 59 ILE H H 8.567 0.000 1 619 300 59 ILE HA H 3.607 0.004 1 620 300 59 ILE HB H 1.685 0.000 1 621 300 59 ILE HD1 H 0.726 0.000 . 622 300 59 ILE HG12 H 0.995 0.000 2 623 300 59 ILE HG13 H 1.421 0.000 2 624 300 59 ILE HG2 H 0.989 0.000 . 625 300 59 ILE CA C 64.259 0.019 1 626 300 59 ILE CB C 37.178 0.011 1 627 300 59 ILE CD1 C 12.557 0.000 1 628 300 59 ILE CG1 C 28.219 0.000 1 629 300 59 ILE CG2 C 17.537 0.000 1 630 300 59 ILE N N 122.853 0.000 1 631 301 60 LYS H H 8.862 0.000 1 632 301 60 LYS HA H 3.874 0.005 1 633 301 60 LYS HB2 H 2.145 0.000 2 634 301 60 LYS HB3 H 2.237 0.000 2 635 301 60 LYS HD2 H 1.719 0.000 2 636 301 60 LYS HD3 H 1.784 0.000 2 637 301 60 LYS HE2 H 3.010 0.000 2 638 301 60 LYS HE3 H 3.024 0.000 2 639 301 60 LYS HG2 H 1.437 0.000 2 640 301 60 LYS HG3 H 1.547 0.000 2 641 301 60 LYS C C 175.515 0.000 1 642 301 60 LYS CA C 59.105 0.002 1 643 301 60 LYS CB C 29.872 0.018 1 644 301 60 LYS CD C 29.323 0.002 1 645 301 60 LYS CE C 42.202 0.000 1 646 301 60 LYS CG C 26.436 0.001 1 647 301 60 LYS N N 117.852 0.000 1 648 302 61 GLY H H 8.398 0.000 1 649 302 61 GLY HA2 H 3.595 0.000 . 650 302 61 GLY HA3 H 4.266 0.000 2 651 302 61 GLY C C 171.955 0.000 1 652 302 61 GLY CA C 44.632 0.021 1 653 302 61 GLY N N 107.144 0.000 1 654 303 62 GLN H H 8.407 0.000 1 655 303 62 GLN HA H 5.664 0.001 1 656 303 62 GLN HB2 H 1.768 0.000 2 657 303 62 GLN HB3 H 1.931 0.000 2 658 303 62 GLN HE21 H 6.797 0.002 2 659 303 62 GLN HE22 H 7.109 0.001 2 660 303 62 GLN HG2 H 2.079 0.000 2 661 303 62 GLN HG3 H 2.118 0.000 2 662 303 62 GLN C C 175.015 0.000 1 663 303 62 GLN CA C 53.520 0.018 1 664 303 62 GLN CB C 33.465 0.086 1 665 303 62 GLN CD C 180.091 0.011 1 666 303 62 GLN CG C 33.874 0.002 1 667 303 62 GLN N N 117.023 0.000 1 668 303 62 GLN NE2 N 110.896 0.000 1 669 304 63 LYS H H 8.691 0.000 1 670 304 63 LYS HA H 4.696 0.006 1 671 304 63 LYS HB2 H 1.610 0.000 2 672 304 63 LYS HB3 H 1.718 0.000 2 673 304 63 LYS HD2 H 1.837 0.000 2 674 304 63 LYS HD3 H 1.962 0.000 2 675 304 63 LYS HE2 H 3.110 0.000 2 676 304 63 LYS HE3 H 3.238 0.000 2 677 304 63 LYS HG2 H 1.343 0.000 2 678 304 63 LYS HG3 H 1.387 0.000 2 679 304 63 LYS C C 173.253 0.000 1 680 304 63 LYS CA C 54.321 0.028 1 681 304 63 LYS CB C 36.787 0.052 1 682 304 63 LYS CD C 28.438 0.003 1 683 304 63 LYS CE C 42.295 0.000 1 684 304 63 LYS CG C 24.649 0.007 1 685 304 63 LYS N N 122.785 0.000 1 686 305 64 GLU H H 8.778 0.000 1 687 305 64 GLU HA H 5.253 0.018 1 688 305 64 GLU HB2 H 1.704 0.000 2 689 305 64 GLU HB3 H 2.010 0.000 2 690 305 64 GLU HG2 H 2.102 0.000 2 691 305 64 GLU HG3 H 2.269 0.000 2 692 305 64 GLU C C 174.762 0.000 1 693 305 64 GLU CA C 54.715 0.021 1 694 305 64 GLU CB C 32.920 0.055 1 695 305 64 GLU CG C 37.266 0.001 1 696 305 64 GLU N N 125.671 0.000 1 697 306 65 LEU H H 8.940 0.000 1 698 306 65 LEU HA H 4.984 0.005 1 699 306 65 LEU HB2 H 1.396 0.000 2 700 306 65 LEU HB3 H 1.638 0.000 2 701 306 65 LEU HD1 H 0.994 0.000 . 702 306 65 LEU HD2 H 0.314 0.000 . 703 306 65 LEU HG H 1.274 0.000 1 704 306 65 LEU C C 175.002 0.000 1 705 306 65 LEU CA C 52.867 0.025 1 706 306 65 LEU CB C 46.823 0.041 1 707 306 65 LEU CD1 C 23.846 0.000 2 708 306 65 LEU CD2 C 26.872 0.000 2 709 306 65 LEU CG C 26.637 0.000 1 710 306 65 LEU N N 120.177 0.000 1 711 307 66 TRP H H 8.902 0.000 1 712 307 66 TRP HA H 5.681 0.013 1 713 307 66 TRP HB2 H 3.096 0.000 2 714 307 66 TRP HB3 H 3.141 0.000 2 715 307 66 TRP HD1 H 7.160 0.002 1 716 307 66 TRP HE3 H 7.605 0.000 1 717 307 66 TRP HH2 H 6.824 0.000 1 718 307 66 TRP HZ2 H 6.997 0.000 1 719 307 66 TRP HZ3 H 6.901 0.000 1 720 307 66 TRP C C 174.920 0.000 1 721 307 66 TRP CA C 57.001 0.026 1 722 307 66 TRP CB C 33.532 0.069 1 723 307 66 TRP CD1 C 126.673 0.000 1 724 307 66 TRP CE3 C 120.474 0.000 1 725 307 66 TRP CH2 C 124.018 0.000 1 726 307 66 TRP CZ2 C 113.736 0.000 1 727 307 66 TRP CZ3 C 121.710 0.000 1 728 307 66 TRP N N 121.269 0.000 1 729 308 67 PHE H H 9.304 0.000 1 730 308 67 PHE HA H 4.884 0.002 1 731 308 67 PHE HB2 H 3.081 0.000 2 732 308 67 PHE HB3 H 3.228 0.000 2 733 308 67 PHE C C 171.664 0.000 1 734 308 67 PHE CA C 57.997 0.025 1 735 308 67 PHE CB C 44.402 0.014 1 736 308 67 PHE N N 121.777 0.000 1 737 309 68 PHE H H 7.569 0.000 1 738 309 68 PHE HA H 4.768 0.002 1 739 309 68 PHE HB2 H 2.879 0.000 2 740 309 68 PHE HB3 H 2.894 0.000 2 741 309 68 PHE HD1 H 7.311 0.001 3 742 309 68 PHE HD2 H 7.311 0.001 3 743 309 68 PHE HE1 H 7.362 0.002 3 744 309 68 PHE HE2 H 7.362 0.002 3 745 309 68 PHE HZ H 7.262 0.000 1 746 309 68 PHE CA C 54.160 0.008 1 747 309 68 PHE CB C 41.841 0.028 1 748 309 68 PHE CD1 C 132.566 0.000 3 749 309 68 PHE CE1 C 131.396 0.000 3 750 309 68 PHE CZ C 129.866 0.000 1 751 309 68 PHE N N 127.435 0.000 1 752 310 69 PRO HA H 4.171 0.016 1 753 310 69 PRO HB2 H 1.869 0.000 2 754 310 69 PRO HB3 H 2.131 0.000 2 755 310 69 PRO HD2 H 3.268 0.000 2 756 310 69 PRO HD3 H 3.426 0.000 2 757 310 69 PRO HG2 H 1.740 0.000 2 758 310 69 PRO HG3 H 1.818 0.000 2 759 310 69 PRO C C 174.006 0.000 1 760 310 69 PRO CA C 62.457 0.027 1 761 310 69 PRO CB C 34.388 0.022 1 762 310 69 PRO CD C 49.409 0.001 1 763 310 69 PRO CG C 24.349 0.001 1 764 311 70 SER H H 7.404 0.000 1 765 311 70 SER HA H 4.010 0.015 1 766 311 70 SER HB2 H 3.602 0.000 2 767 311 70 SER HB3 H 3.622 0.000 2 768 311 70 SER C C 173.737 0.000 1 769 311 70 SER CA C 59.105 0.021 1 770 311 70 SER CB C 63.581 0.036 1 771 311 70 SER N N 108.009 0.000 1 772 312 71 LEU H H 6.302 0.000 1 773 312 71 LEU HA H 4.756 0.000 1 774 312 71 LEU HB2 H 1.183 0.000 2 775 312 71 LEU HB3 H 1.396 0.000 2 776 312 71 LEU HD1 H 0.908 0.000 . 777 312 71 LEU HD2 H 0.569 0.000 . 778 312 71 LEU HG H 1.658 0.000 1 779 312 71 LEU CA C 52.085 0.001 1 780 312 71 LEU CB C 44.135 0.076 1 781 312 71 LEU CD1 C 23.072 0.000 2 782 312 71 LEU CD2 C 25.520 0.000 2 783 312 71 LEU CG C 26.935 0.000 1 784 312 71 LEU N N 121.509 0.000 1 785 313 72 PRO HA H 4.322 0.014 1 786 313 72 PRO HB2 H 1.877 0.000 2 787 313 72 PRO HB3 H 2.309 0.000 2 788 313 72 PRO HD2 H 3.548 0.000 2 789 313 72 PRO HD3 H 3.787 0.000 2 790 313 72 PRO HG2 H 1.963 0.000 2 791 313 72 PRO HG3 H 2.159 0.000 2 792 313 72 PRO C C 175.372 0.000 1 793 313 72 PRO CA C 63.227 0.029 1 794 313 72 PRO CB C 31.709 0.025 1 795 313 72 PRO CD C 50.070 0.002 1 796 313 72 PRO CG C 27.749 0.004 1 797 314 73 THR H H 7.734 0.000 1 798 314 73 THR HA H 4.253 0.002 1 799 314 73 THR HB H 4.371 0.000 1 800 314 73 THR HG2 H 0.856 0.000 . 801 314 73 THR CA C 57.699 0.012 1 802 314 73 THR CB C 68.805 0.056 1 803 314 73 THR CG2 C 22.659 0.000 1 804 314 73 THR N N 109.997 0.000 1 805 315 74 PRO HA H 4.604 0.007 1 806 315 74 PRO HB2 H 1.800 0.000 2 807 315 74 PRO HB3 H 1.989 0.000 2 808 315 74 PRO HD2 H 3.513 0.000 2 809 315 74 PRO HD3 H 3.585 0.000 2 810 315 74 PRO HG2 H 1.629 0.000 2 811 315 74 PRO HG3 H 1.805 0.000 2 812 315 74 PRO C C 177.220 0.000 1 813 315 74 PRO CA C 61.683 0.003 1 814 315 74 PRO CB C 35.109 0.044 1 815 315 74 PRO CD C 50.936 0.002 1 816 315 74 PRO CG C 24.806 0.005 1 817 316 75 LEU H H 9.401 0.000 1 818 316 75 LEU HA H 4.211 0.016 1 819 316 75 LEU HB2 H 0.583 0.000 2 820 316 75 LEU HB3 H 1.450 0.000 2 821 316 75 LEU HD1 H 0.174 0.000 . 822 316 75 LEU HD2 H 0.368 0.000 . 823 316 75 LEU HG H 1.249 0.000 1 824 316 75 LEU C C 176.653 0.000 1 825 316 75 LEU CA C 52.824 0.018 1 826 316 75 LEU CB C 38.118 0.025 1 827 316 75 LEU CD1 C 22.306 0.000 2 828 316 75 LEU CD2 C 26.502 0.000 2 829 316 75 LEU CG C 25.959 0.000 1 830 316 75 LEU N N 128.050 0.000 1 831 317 76 SER H H 7.921 0.000 1 832 317 76 SER HA H 4.171 0.007 1 833 317 76 SER HB2 H 3.699 0.000 2 834 317 76 SER HB3 H 3.925 0.000 2 835 317 76 SER C C 176.250 0.000 1 836 317 76 SER CA C 60.549 0.023 1 837 317 76 SER CB C 63.261 0.062 1 838 317 76 SER N N 116.102 0.000 1 839 318 77 ASN H H 8.759 0.000 1 840 318 77 ASN HA H 4.461 0.007 1 841 318 77 ASN HB2 H 3.146 0.000 2 842 318 77 ASN HB3 H 3.182 0.000 2 843 318 77 ASN HD21 H 7.074 0.004 2 844 318 77 ASN HD22 H 7.600 0.002 2 845 318 77 ASN C C 174.996 0.000 1 846 318 77 ASN CA C 55.524 0.037 1 847 318 77 ASN CB C 37.630 0.058 1 848 318 77 ASN CG C 178.370 0.008 1 849 318 77 ASN N N 116.397 0.000 1 850 318 77 ASN ND2 N 114.323 0.005 1 851 319 78 TYR H H 8.396 0.000 1 852 319 78 TYR HA H 4.895 0.005 1 853 319 78 TYR HB2 H 2.608 0.000 2 854 319 78 TYR HB3 H 3.497 0.000 2 855 319 78 TYR HD1 H 7.055 0.002 3 856 319 78 TYR HD2 H 7.055 0.002 3 857 319 78 TYR HE1 H 6.960 0.000 3 858 319 78 TYR HE2 H 6.960 0.000 3 859 319 78 TYR C C 176.498 0.000 1 860 319 78 TYR CA C 58.406 0.021 1 861 319 78 TYR CB C 38.803 0.038 1 862 319 78 TYR CD1 C 132.868 0.000 3 863 319 78 TYR CE1 C 118.781 0.000 3 864 319 78 TYR N N 119.444 0.000 1 865 320 79 THR H H 9.123 0.000 1 866 320 79 THR HA H 4.745 0.004 1 867 320 79 THR HB H 4.038 0.000 1 868 320 79 THR HG2 H 1.166 0.000 . 869 320 79 THR C C 174.023 0.000 1 870 320 79 THR CA C 63.334 0.028 1 871 320 79 THR CB C 69.928 0.043 1 872 320 79 THR CG2 C 21.430 0.000 1 873 320 79 THR N N 118.448 0.000 1 874 321 80 MET H H 9.051 0.000 1 875 321 80 MET HA H 5.266 0.018 1 876 321 80 MET HB2 H 1.591 0.000 2 877 321 80 MET HB3 H 1.735 0.000 2 878 321 80 MET HE H 1.866 0.000 . 879 321 80 MET HG2 H 2.389 0.000 2 880 321 80 MET HG3 H 2.495 0.000 2 881 321 80 MET C C 173.495 0.000 1 882 321 80 MET CA C 54.563 0.001 1 883 321 80 MET CB C 35.596 0.027 1 884 321 80 MET CE C 19.867 0.000 1 885 321 80 MET CG C 35.526 0.005 1 886 321 80 MET N N 126.876 0.000 1 887 322 81 LYS H H 8.985 0.000 1 888 322 81 LYS HA H 5.212 0.018 1 889 322 81 LYS HB2 H 1.498 0.000 2 890 322 81 LYS HB3 H 1.787 0.000 2 891 322 81 LYS HD2 H 1.556 0.000 2 892 322 81 LYS HD3 H 1.625 0.000 2 893 322 81 LYS HE3 H 2.814 0.000 2 894 322 81 LYS HG2 H 1.195 0.000 2 895 322 81 LYS HG3 H 1.310 0.000 2 896 322 81 LYS C C 174.668 0.000 1 897 322 81 LYS CA C 54.405 0.004 1 898 322 81 LYS CB C 38.045 0.034 1 899 322 81 LYS CD C 29.382 0.003 1 900 322 81 LYS CE C 41.920 0.004 1 901 322 81 LYS CG C 25.063 0.003 1 902 322 81 LYS N N 118.157 0.000 1 903 323 82 VAL H H 8.292 0.000 1 904 323 82 VAL HA H 4.843 0.002 1 905 323 82 VAL HB H 1.837 0.000 1 906 323 82 VAL HG1 H 0.878 0.000 . 907 323 82 VAL HG2 H 0.891 0.000 . 908 323 82 VAL C C 174.498 0.000 1 909 323 82 VAL CA C 61.950 0.024 1 910 323 82 VAL CB C 33.298 0.031 1 911 323 82 VAL CG1 C 21.348 0.000 2 912 323 82 VAL CG2 C 22.218 0.000 2 913 323 82 VAL N N 118.653 0.000 1 914 324 83 VAL H H 9.226 0.000 1 915 324 83 VAL HA H 4.755 0.001 1 916 324 83 VAL HB H 1.946 0.000 1 917 324 83 VAL HG1 H 0.863 0.000 . 918 324 83 VAL HG2 H 0.720 0.000 . 919 324 83 VAL C C 176.386 0.000 1 920 324 83 VAL CA C 60.374 0.015 1 921 324 83 VAL CB C 33.831 0.042 1 922 324 83 VAL CG1 C 20.761 0.000 2 923 324 83 VAL CG2 C 20.805 0.000 2 924 324 83 VAL N N 129.774 0.000 1 925 325 84 ASN H H 8.962 0.000 1 926 325 84 ASN HA H 5.466 0.003 1 927 325 84 ASN HB2 H 2.688 0.000 2 928 325 84 ASN HB3 H 3.737 0.000 2 929 325 84 ASN C C 178.343 0.000 1 930 325 84 ASN CA C 52.207 0.020 1 931 325 84 ASN CB C 38.607 0.049 1 932 325 84 ASN N N 123.912 0.000 1 933 326 85 GLN H H 9.269 0.000 1 934 326 85 GLN HA H 4.254 0.016 1 935 326 85 GLN HB2 H 2.233 0.000 2 936 326 85 GLN HB3 H 2.277 0.000 2 937 326 85 GLN HE21 H 6.791 0.004 2 938 326 85 GLN HE22 H 7.649 0.003 2 939 326 85 GLN HG2 H 2.298 0.000 2 940 326 85 GLN HG3 H 2.437 0.000 2 941 326 85 GLN C C 176.387 0.000 1 942 326 85 GLN CA C 58.270 0.030 1 943 326 85 GLN CB C 28.152 0.024 1 944 326 85 GLN CD C 180.550 0.026 1 945 326 85 GLN CG C 32.904 0.005 1 946 326 85 GLN N N 118.583 0.000 1 947 326 85 GLN NE2 N 111.513 0.002 1 948 327 86 ASP H H 7.471 0.000 1 949 327 86 ASP HA H 4.804 0.004 1 950 327 86 ASP HB2 H 2.510 0.000 2 951 327 86 ASP HB3 H 2.940 0.000 2 952 327 86 ASP C C 176.263 0.000 1 953 327 86 ASP CA C 54.458 0.023 1 954 327 86 ASP CB C 41.540 0.085 1 955 327 86 ASP N N 117.792 0.000 1 956 328 87 GLY H H 8.269 0.000 1 957 328 87 GLY HA2 H 3.546 0.000 . 958 328 87 GLY HA3 H 4.206 0.000 2 959 328 87 GLY C C 174.488 0.000 1 960 328 87 GLY CA C 45.427 0.024 1 961 328 87 GLY N N 107.646 0.000 1 962 329 88 GLU H H 7.964 0.000 1 963 329 88 GLU HA H 4.400 0.013 1 964 329 88 GLU HB2 H 1.878 0.000 2 965 329 88 GLU HB3 H 1.933 0.000 2 966 329 88 GLU HG2 H 2.044 0.000 2 967 329 88 GLU HG3 H 2.168 0.000 2 968 329 88 GLU C C 176.260 0.000 1 969 329 88 GLU CA C 54.779 0.032 1 970 329 88 GLU CB C 30.240 0.068 1 971 329 88 GLU CG C 35.808 0.001 1 972 329 88 GLU N N 121.792 0.000 1 973 330 89 THR H H 9.079 0.000 1 974 330 89 THR HA H 4.233 0.001 1 975 330 89 THR HB H 4.098 0.000 1 976 330 89 THR HG2 H 1.047 0.000 . 977 330 89 THR C C 174.614 0.000 1 978 330 89 THR CA C 64.407 0.012 1 979 330 89 THR CB C 68.643 0.045 1 980 330 89 THR CG2 C 22.563 0.000 1 981 330 89 THR N N 123.410 0.000 1 982 331 90 ILE H H 8.938 0.000 1 983 331 90 ILE HA H 4.571 0.006 1 984 331 90 ILE HB H 1.940 0.000 1 985 331 90 ILE HD1 H 0.949 0.000 . 986 331 90 ILE HG12 H 1.045 0.000 2 987 331 90 ILE HG13 H 1.354 0.000 2 988 331 90 ILE HG2 H 0.979 0.000 . 989 331 90 ILE C C 175.898 0.000 1 990 331 90 ILE CA C 61.760 0.034 1 991 331 90 ILE CB C 39.596 0.068 1 992 331 90 ILE CD1 C 14.071 0.000 1 993 331 90 ILE CG1 C 26.590 0.003 1 994 331 90 ILE CG2 C 18.242 0.000 1 995 331 90 ILE N N 121.807 0.000 1 996 332 91 LEU H H 7.513 0.000 1 997 332 91 LEU HA H 4.808 0.005 1 998 332 91 LEU HB2 H 1.250 0.000 2 999 332 91 LEU HB3 H 1.457 0.000 2 1000 332 91 LEU HD1 H 0.855 0.000 . 1001 332 91 LEU HD2 H 0.812 0.000 . 1002 332 91 LEU HG H 1.591 0.000 1 1003 332 91 LEU C C 174.483 0.000 1 1004 332 91 LEU CA C 54.184 0.008 1 1005 332 91 LEU CB C 49.046 0.133 1 1006 332 91 LEU CD1 C 23.844 0.000 2 1007 332 91 LEU CD2 C 27.204 0.000 2 1008 332 91 LEU CG C 27.362 0.000 1 1009 332 91 LEU N N 120.612 0.000 1 1010 333 92 VAL H H 9.508 0.000 1 1011 333 92 VAL HA H 5.492 0.009 1 1012 333 92 VAL HB H 1.979 0.000 1 1013 333 92 VAL HG1 H 0.914 0.000 . 1014 333 92 VAL HG2 H 1.036 0.000 . 1015 333 92 VAL C C 173.600 0.000 1 1016 333 92 VAL CA C 60.098 0.024 1 1017 333 92 VAL CB C 35.494 0.040 1 1018 333 92 VAL CG1 C 18.891 0.000 2 1019 333 92 VAL CG2 C 21.564 0.000 2 1020 333 92 VAL N N 119.624 0.000 1 1021 334 93 GLY H H 9.042 0.000 1 1022 334 93 GLY HA2 H 4.346 0.000 . 1023 334 93 GLY HA3 H 4.487 0.000 2 1024 334 93 GLY C C 170.379 0.000 1 1025 334 93 GLY CA C 45.579 0.023 1 1026 334 93 GLY N N 116.438 0.000 1 1027 335 94 LYS H H 8.868 0.000 1 1028 335 94 LYS HA H 5.195 0.017 1 1029 335 94 LYS HB2 H 1.707 0.000 2 1030 335 94 LYS HB3 H 1.787 0.000 2 1031 335 94 LYS HD2 H 1.640 0.000 2 1032 335 94 LYS HD3 H 1.676 0.000 2 1033 335 94 LYS HE2 H 2.931 0.000 2 1034 335 94 LYS HE3 H 2.968 0.000 2 1035 335 94 LYS HG2 H 1.363 0.000 2 1036 335 94 LYS HG3 H 1.417 0.000 2 1037 335 94 LYS C C 175.309 0.000 1 1038 335 94 LYS CA C 55.133 0.025 1 1039 335 94 LYS CB C 35.623 0.016 1 1040 335 94 LYS CD C 29.380 0.000 1 1041 335 94 LYS CE C 41.984 0.000 1 1042 335 94 LYS CG C 24.653 0.004 1 1043 335 94 LYS N N 120.208 0.000 1 1044 336 95 CYS H H 8.954 0.000 1 1045 336 95 CYS HA H 4.449 0.012 1 1046 336 95 CYS HB2 H 2.689 0.000 2 1047 336 95 CYS HB3 H 3.427 0.000 2 1048 336 95 CYS C C 174.465 0.000 1 1049 336 95 CYS CA C 59.146 0.021 1 1050 336 95 CYS CB C 29.131 0.061 1 1051 336 95 CYS N N 126.110 0.000 1 1052 337 96 ALA H H 9.113 0.000 1 1053 337 96 ALA HA H 4.950 0.006 1 1054 337 96 ALA HB H 1.507 0.000 . 1055 337 96 ALA C C 175.867 0.000 1 1056 337 96 ALA CA C 51.636 0.018 1 1057 337 96 ALA CB C 18.192 0.050 1 1058 337 96 ALA N N 136.057 0.000 1 1059 338 97 ASP H H 8.115 0.000 1 1060 338 97 ASP HA H 4.591 0.011 1 1061 338 97 ASP HB2 H 2.696 0.000 2 1062 338 97 ASP HB3 H 2.781 0.000 2 1063 338 97 ASP C C 174.628 0.000 1 1064 338 97 ASP CA C 53.938 0.026 1 1065 338 97 ASP CB C 40.188 0.061 1 1066 338 97 ASP N N 118.402 0.000 1 1067 339 98 SER H H 7.351 0.000 1 1068 339 98 SER HA H 4.743 0.002 1 1069 339 98 SER HB2 H 3.783 0.000 2 1070 339 98 SER HB3 H 4.054 0.000 2 1071 339 98 SER C C 172.836 0.000 1 1072 339 98 SER CA C 56.388 0.025 1 1073 339 98 SER CB C 65.287 0.077 1 1074 339 98 SER N N 111.433 0.000 1 1075 340 99 ASN H H 8.572 0.000 1 1076 340 99 ASN HA H 4.796 0.001 1 1077 340 99 ASN HB2 H 2.724 0.000 2 1078 340 99 ASN HB3 H 3.744 0.000 2 1079 340 99 ASN HD21 H 6.547 0.000 2 1080 340 99 ASN HD22 H 7.311 0.003 2 1081 340 99 ASN C C 173.134 0.000 1 1082 340 99 ASN CA C 53.251 0.029 1 1083 340 99 ASN CB C 38.296 0.062 1 1084 340 99 ASN CG C 177.063 0.026 1 1085 340 99 ASN N N 119.202 0.000 1 1086 340 99 ASN ND2 N 110.578 0.003 1 1087 341 100 GLU H H 7.970 0.000 1 1088 341 100 GLU HA H 5.280 0.012 1 1089 341 100 GLU HB2 H 1.949 0.000 2 1090 341 100 GLU HB3 H 1.970 0.000 2 1091 341 100 GLU HG2 H 2.185 0.000 2 1092 341 100 GLU HG3 H 2.242 0.000 2 1093 341 100 GLU C C 175.200 0.000 1 1094 341 100 GLU CA C 55.417 0.023 1 1095 341 100 GLU CB C 31.869 0.020 1 1096 341 100 GLU CG C 36.511 0.000 1 1097 341 100 GLU N N 118.223 0.000 1 1098 342 101 ILE H H 9.263 0.000 1 1099 342 101 ILE HA H 4.522 0.008 1 1100 342 101 ILE HB H 1.524 0.000 1 1101 342 101 ILE HD1 H 0.845 0.000 . 1102 342 101 ILE HG12 H 1.120 0.000 2 1103 342 101 ILE HG13 H 1.528 0.000 2 1104 342 101 ILE HG2 H 0.844 0.000 . 1105 342 101 ILE C C 174.507 0.000 1 1106 342 101 ILE CA C 60.858 0.029 1 1107 342 101 ILE CB C 42.511 0.023 1 1108 342 101 ILE CD1 C 16.668 0.000 1 1109 342 101 ILE CG1 C 30.091 0.006 1 1110 342 101 ILE CG2 C 20.376 0.000 1 1111 342 101 ILE N N 124.725 0.000 1 1112 343 102 THR H H 8.483 0.000 1 1113 343 102 THR HA H 5.065 0.015 1 1114 343 102 THR HB H 3.997 0.000 1 1115 343 102 THR HG2 H 1.074 0.000 . 1116 343 102 THR C C 173.620 0.000 1 1117 343 102 THR CA C 60.324 0.021 1 1118 343 102 THR CB C 70.638 0.021 1 1119 343 102 THR CG2 C 22.707 0.000 1 1120 343 102 THR N N 118.022 0.000 1 1121 344 103 LEU H H 9.344 0.000 1 1122 344 103 LEU HA H 4.779 0.005 1 1123 344 103 LEU HB2 H 1.468 0.000 2 1124 344 103 LEU HB3 H 1.596 0.000 2 1125 344 103 LEU HD1 H 0.706 0.000 . 1126 344 103 LEU HD2 H 0.575 0.000 . 1127 344 103 LEU HG H 1.522 0.000 1 1128 344 103 LEU C C 174.784 0.000 1 1129 344 103 LEU CA C 54.401 0.021 1 1130 344 103 LEU CB C 44.508 0.027 1 1131 344 103 LEU CD1 C 25.309 0.000 2 1132 344 103 LEU CD2 C 25.774 0.000 2 1133 344 103 LEU CG C 29.601 0.000 1 1134 344 103 LEU N N 125.104 0.000 1 1135 345 104 LYS H H 8.397 0.000 1 1136 345 104 LYS HA H 4.907 0.005 1 1137 345 104 LYS HB2 H 1.839 0.000 2 1138 345 104 LYS HB3 H 2.003 0.000 2 1139 345 104 LYS HD2 H 1.696 0.000 2 1140 345 104 LYS HD3 H 1.728 0.000 2 1141 345 104 LYS HE2 H 2.967 0.000 2 1142 345 104 LYS HE3 H 2.989 0.000 2 1143 345 104 LYS HG2 H 1.388 0.000 2 1144 345 104 LYS HG3 H 1.595 0.000 2 1145 345 104 LYS C C 176.170 0.000 1 1146 345 104 LYS CA C 54.444 0.013 1 1147 345 104 LYS CB C 37.491 0.030 1 1148 345 104 LYS CD C 29.630 0.000 1 1149 345 104 LYS CE C 42.095 0.000 1 1150 345 104 LYS CG C 24.728 0.005 1 1151 345 104 LYS N N 117.693 0.000 1 1152 346 105 SER H H 8.775 0.000 1 1153 346 105 SER HA H 4.944 0.001 1 1154 346 105 SER HB2 H 3.970 0.000 2 1155 346 105 SER HB3 H 3.988 0.000 2 1156 346 105 SER CA C 57.285 0.021 1 1157 346 105 SER CB C 63.148 0.025 1 1158 346 105 SER N N 117.693 0.000 1 1159 347 106 PRO HA H 4.436 0.016 1 1160 347 106 PRO HB2 H 2.057 0.000 2 1161 347 106 PRO HB3 H 2.151 0.000 2 1162 347 106 PRO HD2 H 3.565 0.000 2 1163 347 106 PRO HD3 H 3.761 0.000 2 1164 347 106 PRO HG2 H 1.783 0.000 2 1165 347 106 PRO HG3 H 2.003 0.000 2 1166 347 106 PRO C C 175.507 0.000 1 1167 347 106 PRO CA C 63.389 0.026 1 1168 347 106 PRO CB C 31.966 0.038 1 1169 347 106 PRO CD C 50.837 0.001 1 1170 347 106 PRO CG C 27.018 0.000 1 1171 348 107 LEU H H 7.718 0.000 1 1172 348 107 LEU HA H 4.191 0.002 1 1173 348 107 LEU HB2 H 1.575 0.000 2 1174 348 107 LEU HB3 H 1.595 0.000 2 1175 348 107 LEU HD1 H 0.899 0.000 . 1176 348 107 LEU HD2 H 0.935 0.000 . 1177 348 107 LEU CA C 56.819 0.009 1 1178 348 107 LEU CB C 43.554 0.060 1 1179 348 107 LEU CD1 C 23.597 0.000 2 1180 348 107 LEU CD2 C 25.209 0.000 2 1181 348 107 LEU N N 126.937 0.000 1 stop_ save_