data_18566 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Telokin-like domain (TL-domain) from P22 coat protein ; _BMRB_accession_number 18566 _BMRB_flat_file_name bmr18566.str _Entry_type original _Submission_date 2012-07-03 _Accession_date 2012-07-03 _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 Rizzo Alessandro A. . 2 Fraser LaTasha C.R. . 3 Sheftic Sarah R. . 4 Suhanovsky Margaret M. . 5 Teschke Carolyn M. . 6 Alexandrescu Andrei T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 638 "13C chemical shifts" 511 "15N chemical shifts" 119 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-19 update BMRB 'update entry citation' 2013-03-28 update author 'update chemical shifts' 2012-11-02 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR assignments for the telokin-like domain of bacteriophage P22 coat protein.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22987227 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rizzo Alessandro A. . 2 Fraser LaTasha C.R. . 3 Sheftic Sarah R. . 4 Suhanovsky Margaret M. . 5 Teschke Carolyn M. . 6 Alexandrescu Andrei T. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 7 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 257 _Page_last 260 _Year 2013 _Details . loop_ _Keyword capsid D-loop 'extra-density domain' procapsid 'virus assembly' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name TL-domain _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TL-domain $TL-domain 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_TL-domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TL-domain _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'not fully characterized' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 124 _Mol_residue_sequence ; GSTATGITVSGAQSFKPVAW QLDNDGNKVNVDNRFATVTL SATTGMKRGDKISFAGVKFL GQMAKNVLAQDATFSVVRVV DGTHVEITPKPVALDDVSLS PEQRAYANVNTSLADAMAVN ILNV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 222 GLY 2 223 SER 3 224 THR 4 225 ALA 5 226 THR 6 227 GLY 7 228 ILE 8 229 THR 9 230 VAL 10 231 SER 11 232 GLY 12 233 ALA 13 234 GLN 14 235 SER 15 236 PHE 16 237 LYS 17 238 PRO 18 239 VAL 19 240 ALA 20 241 TRP 21 242 GLN 22 243 LEU 23 244 ASP 24 245 ASN 25 246 ASP 26 247 GLY 27 248 ASN 28 249 LYS 29 250 VAL 30 251 ASN 31 252 VAL 32 253 ASP 33 254 ASN 34 255 ARG 35 256 PHE 36 257 ALA 37 258 THR 38 259 VAL 39 260 THR 40 261 LEU 41 262 SER 42 263 ALA 43 264 THR 44 265 THR 45 266 GLY 46 267 MET 47 268 LYS 48 269 ARG 49 270 GLY 50 271 ASP 51 272 LYS 52 273 ILE 53 274 SER 54 275 PHE 55 276 ALA 56 277 GLY 57 278 VAL 58 279 LYS 59 280 PHE 60 281 LEU 61 282 GLY 62 283 GLN 63 284 MET 64 285 ALA 65 286 LYS 66 287 ASN 67 288 VAL 68 289 LEU 69 290 ALA 70 291 GLN 71 292 ASP 72 293 ALA 73 294 THR 74 295 PHE 75 296 SER 76 297 VAL 77 298 VAL 78 299 ARG 79 300 VAL 80 301 VAL 81 302 ASP 82 303 GLY 83 304 THR 84 305 HIS 85 306 VAL 86 307 GLU 87 308 ILE 88 309 THR 89 310 PRO 90 311 LYS 91 312 PRO 92 313 VAL 93 314 ALA 94 315 LEU 95 316 ASP 96 317 ASP 97 318 VAL 98 319 SER 99 320 LEU 100 321 SER 101 322 PRO 102 323 GLU 103 324 GLN 104 325 ARG 105 326 ALA 106 327 TYR 107 328 ALA 108 329 ASN 109 330 VAL 110 331 ASN 111 332 THR 112 333 SER 113 334 LEU 114 335 ALA 115 336 ASP 116 337 ALA 117 338 MET 118 339 ALA 119 340 VAL 120 341 ASN 121 342 ILE 122 343 LEU 123 344 ASN 124 345 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 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 2M5S "High-resolution Nmr Structure And Cryo-em Imaging Support Multiple Functional Roles For The Accessory I-domain Of Phage P22 Coa" 100.00 130 100.00 100.00 1.71e-82 PDB 2XYY "De Novo Model Of Bacteriophage P22 Procapsid Coat Protein" 99.19 430 100.00 100.00 3.13e-77 PDB 2XYZ "De Novo Model Of Bacteriophage P22 Virion Coat Protein" 99.19 430 100.00 100.00 3.13e-77 PDB 3IYH "P22 Procapsid Coat Protein Structures Reveal A Novel Mechanism For Capsid Maturation: Stability Without Auxiliary Proteins Or C" 99.19 430 100.00 100.00 3.13e-77 PDB 3IYI "P22 Expanded Head Coat Protein Structures Reveal A Novel Mechanism For Capsid Maturation: Stability Without Auxiliary Proteins " 99.19 430 100.00 100.00 3.13e-77 DBJ BAD15215 "Gp5 [Enterobacteria phage ST104]" 99.19 430 98.37 99.19 5.72e-76 DBJ BAF80720 "coat protein [Enterobacteria phage P22]" 99.19 430 100.00 100.00 3.13e-77 DBJ BAG12603 "coat protein [Enterobacteria phage P22]" 99.19 430 100.00 100.00 3.13e-77 DBJ BAJ35317 "putative coat protein [Salmonella enterica subsp. enterica serovar Typhimurium str. T000240]" 99.19 430 98.37 99.19 5.72e-76 DBJ BAP06070 "coat protein [Salmonella enterica subsp. enterica serovar Typhimurium str. L-3553]" 99.19 430 98.37 99.19 8.51e-76 EMBL CAR60452 "putative coat protein [Salmonella enterica subsp. enterica serovar Paratyphi A str. AKU_12601]" 99.19 430 99.19 100.00 1.18e-76 EMBL CBG23391 "coat protein [Salmonella enterica subsp. enterica serovar Typhimurium str. D23580]" 99.19 430 98.37 99.19 6.64e-76 EMBL CBY96612 "Coat protein Protein gp5 [Salmonella enterica subsp. enterica serovar Weltevreden str. 2007-60-3289-1]" 99.19 430 100.00 100.00 2.97e-77 EMBL CCR48948 "protein Coat [Salmonella enterica subsp. enterica serovar Agona str. 62.H.72]" 99.19 430 98.37 99.19 9.17e-76 EMBL CCT21055 "protein Coat [Salmonella enterica subsp. enterica serovar Agona str. 18.H.07]" 99.19 430 98.37 99.19 5.72e-76 GB AAA72963 "coat protein [Enterobacteria phage P22]" 99.19 430 100.00 100.00 3.13e-77 GB AAF75047 "coat protein [Enterobacteria phage P22]" 99.19 430 100.00 100.00 3.13e-77 GB AAL15527 "5 [Salmonella phage ST64T]" 99.19 430 98.37 99.19 5.72e-76 GB AAM81389 "coat protein [Salmonella phage P22-pbi]" 99.19 430 100.00 100.00 3.13e-77 GB AAX21429 "coat protein [Enterobacteria phage L]" 99.19 430 98.37 99.19 5.72e-76 REF NP_059630 "coat protein [Enterobacteria phage P22]" 99.19 430 100.00 100.00 3.13e-77 REF NP_720329 "coat protein [Enterobacteria phage ST64T]" 99.19 430 98.37 99.19 5.72e-76 REF WP_001196931 "coat protein [Salmonella enterica]" 99.19 430 98.37 99.19 6.94e-76 REF WP_001196932 "coat protein [Salmonella enterica]" 99.19 430 98.37 99.19 6.64e-76 REF WP_001196933 "coat protein [Salmonella enterica]" 99.19 430 98.37 99.19 6.86e-76 SP P26747 "RecName: Full=Major capsid protein; AltName: Full=Gene product 5; Short=gp5; AltName: Full=Major head protein" 99.19 430 100.00 100.00 3.13e-77 TPG DAA00987 "TPA_inf: coat protein [Enterobacteria phage P22]" 99.19 430 100.00 100.00 3.13e-77 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic _Details $TL-domain 'Enterobacteria phage P22' 10754 Viruses . Bacteriophage P22 Typhimurium 'gp5 (fragment)' 'amino acids 223-345 from gp5 in bacteriophage P22' 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 _Details $TL-domain 'recombinant technology' . Escherichia coli BL21(DE3) pET30b 'a thrombin cleavage site with sequence LVPRG was inserted with primers from IDT before the first native serine (223)' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_TL-domain-13C_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TL-domain 1.5 mM '[U-13C; U-15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.2 '% w/v' 'natural abundance' stop_ save_ save_TL-domain-13C_15N_in_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TL-domain 1.5 mM '[U-13C; U-15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.2 '% w/v' 'natural abundance' stop_ save_ save_TL-domain-15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TL-domain 1.5 mM [U-15N] 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.2 '% w/v' 'natural abundance' stop_ save_ save_TL-domain-unlabelled _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TL-domain 1.5 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.2 '% w/v' 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name FELIX _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CCPNmr_Analysis _Saveframe_category software _Name ANALYSIS _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details 'experiments implemented from Varian Biopack' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Varian-600 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $TL-domain-15N save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $TL-domain-13C_15N_in_D2O save_ save_2D_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $TL-domain-unlabelled save_ save_2D_DQF-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-TOCSY' _Sample_label $TL-domain-unlabelled save_ save_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $TL-domain-13C_15N save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $TL-domain-13C_15N save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $TL-domain-13C_15N save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $TL-domain-13C_15N save_ save_3D_HN(CO)CA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $TL-domain-13C_15N save_ save_3D_H(CCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $TL-domain-13C_15N save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $TL-domain-13C_15N_in_D2O save_ save_3D_HNHA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $TL-domain-15N save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $TL-domain-15N save_ save_3D_1H-15N_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $TL-domain-15N save_ save_3D_HNHB_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $TL-domain-15N save_ save_3D_HN(CA)CO_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $TL-domain-13C_15N save_ save_2D_H-H_NOESY_(50ms)_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H-H NOESY (50ms)' _Sample_label $TL-domain-unlabelled save_ save_3D_CCH-TOCSY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $TL-domain-13C_15N_in_D2O save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_condition_1 _Saveframe_category sample_conditions _Details 'all samples were buffered with 20 mM sodium phosphate and contained 0.2% w/v sodium azide' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 6.00 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_TL-domain_referencing _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_TL-domain_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D DQF-COSY' '2D DQF-TOCSY' '3D C(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D HNHA' '3D 1H-15N NOESY' '3D HNHB' '3D HN(CA)CO' '2D H-H NOESY (50ms)' '3D CCH-TOCSY' stop_ loop_ _Sample_label $TL-domain-15N $TL-domain-13C_15N_in_D2O $TL-domain-unlabelled $TL-domain-13C_15N stop_ _Sample_conditions_label $sample_condition_1 _Chem_shift_reference_set_label $TL-domain_referencing _Mol_system_component_name TL-domain _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 1 223 2 SER H H 8.212 0.05 1 2 223 2 SER HA H 4.555 0.05 1 3 223 2 SER HB2 H 3.835 0.05 2 4 223 2 SER HB3 H 3.864 0.05 2 5 223 2 SER C C 174.577 0.3 1 6 223 2 SER CA C 58.241 0.3 1 7 223 2 SER CB C 64 0.3 1 8 223 2 SER N N 115.171 0.13 1 9 224 3 THR H H 8.327 0.05 1 10 224 3 THR HA H 4.344 0.05 1 11 224 3 THR HB H 4.257 0.05 1 12 224 3 THR HG2 H 1.253 0.05 1 13 224 3 THR C C 174.024 0.3 1 14 224 3 THR CA C 61.852 0.3 1 15 224 3 THR CB C 69.858 0.3 1 16 224 3 THR CG2 C 20.881 0.3 1 17 224 3 THR N N 116.072 0.13 1 18 225 4 ALA H H 8.367 0.05 1 19 225 4 ALA HA H 4.468 0.05 1 20 225 4 ALA HB H 1.429 0.05 1 21 225 4 ALA C C 177.713 0.3 1 22 225 4 ALA CA C 52.526 0.3 1 23 225 4 ALA CB C 19.299 0.3 1 24 225 4 ALA N N 126.55 0.13 1 25 226 5 THR H H 8.209 0.05 1 26 226 5 THR HA H 4.404 0.05 1 27 226 5 THR HB H 4.254 0.05 1 28 226 5 THR HG2 H 1.255 0.05 1 29 226 5 THR C C 175.209 0.3 1 30 226 5 THR CA C 61.828 0.3 1 31 226 5 THR CB C 70.192 0.3 1 32 226 5 THR CG2 C 20.884 0.3 1 33 226 5 THR N N 112.622 0.13 1 34 227 6 GLY H H 8.29 0.05 1 35 227 6 GLY HA2 H 4.005 0.05 1 36 227 6 GLY HA3 H 4.005 0.05 1 37 227 6 GLY C C 173.591 0.3 1 38 227 6 GLY CA C 45.498 0.3 1 39 227 6 GLY N N 110.864 0.13 1 40 228 7 ILE H H 8.522 0.05 1 41 228 7 ILE HA H 3.953 0.05 1 42 228 7 ILE HB H 1.733 0.05 1 43 228 7 ILE HG12 H 1.027 0.05 2 44 228 7 ILE HG13 H 1.549 0.05 2 45 228 7 ILE HG2 H 1.074 0.05 1 46 228 7 ILE HD1 H 0.817 0.05 1 47 228 7 ILE C C 175.781 0.3 1 48 228 7 ILE CA C 61.894 0.3 1 49 228 7 ILE CB C 39.161 0.3 1 50 228 7 ILE CG1 C 28.161 0.3 1 51 228 7 ILE CG2 C 19.029 0.3 1 52 228 7 ILE CD1 C 13.295 0.3 1 53 228 7 ILE N N 122.847 0.13 1 54 229 8 THR H H 8.666 0.05 1 55 229 8 THR HA H 5.344 0.05 1 56 229 8 THR HB H 3.87 0.05 1 57 229 8 THR HG2 H 1.007 0.05 1 58 229 8 THR C C 174.312 0.3 1 59 229 8 THR CA C 58.835 0.3 1 60 229 8 THR CB C 73.445 0.3 1 61 229 8 THR CG2 C 22.006 0.3 1 62 229 8 THR N N 116.429 0.13 1 63 230 9 VAL H H 8.869 0.05 1 64 230 9 VAL HA H 3.774 0.05 1 65 230 9 VAL HB H 2.316 0.05 1 66 230 9 VAL HG1 H 0.836 0.05 2 67 230 9 VAL HG2 H 0.993 0.05 2 68 230 9 VAL C C 176.075 0.3 1 69 230 9 VAL CA C 64.583 0.3 1 70 230 9 VAL CB C 32.433 0.3 1 71 230 9 VAL CG1 C 23.453 0.3 2 72 230 9 VAL CG2 C 24.527 0.3 2 73 230 9 VAL N N 121.984 0.13 1 74 231 10 SER H H 7.811 0.05 1 75 231 10 SER HA H 4.801 0.05 1 76 231 10 SER HB2 H 3.169 0.05 2 77 231 10 SER HB3 H 3.492 0.05 2 78 231 10 SER C C 173.042 0.3 1 79 231 10 SER CA C 55.718 0.3 1 80 231 10 SER CB C 62.946 0.3 1 81 231 10 SER N N 124.664 0.13 1 82 232 11 GLY H H 9.17 0.05 1 83 232 11 GLY HA2 H 3.459 0.05 2 84 232 11 GLY HA3 H 4.18 0.05 2 85 232 11 GLY C C 172.061 0.3 1 86 232 11 GLY CA C 43.544 0.3 1 87 232 11 GLY N N 116.023 0.13 1 88 233 12 ALA H H 8.282 0.05 1 89 233 12 ALA HA H 4.289 0.05 1 90 233 12 ALA HB H 1.372 0.05 1 91 233 12 ALA C C 178.881 0.3 1 92 233 12 ALA CA C 52.951 0.3 1 93 233 12 ALA CB C 18.107 0.3 1 94 233 12 ALA N N 124.601 0.13 1 95 234 13 GLN H H 8.191 0.05 1 96 234 13 GLN HA H 4.433 0.05 1 97 234 13 GLN HB2 H 1.92 0.05 2 98 234 13 GLN HB3 H 1.436 0.05 2 99 234 13 GLN HG2 H 2.045 0.05 2 100 234 13 GLN HG3 H 2.045 0.05 2 101 234 13 GLN C C 172.394 0.3 1 102 234 13 GLN CA C 55.564 0.3 1 103 234 13 GLN CB C 35.279 0.3 1 104 234 13 GLN CG C 34.387 0.3 1 105 234 13 GLN N N 124.071 0.13 1 106 235 14 SER H H 7.729 0.05 1 107 235 14 SER HA H 4.667 0.05 1 108 235 14 SER HB2 H 3.612 0.05 2 109 235 14 SER HB3 H 3.72 0.05 2 110 235 14 SER C C 172.983 0.3 1 111 235 14 SER CA C 56.37 0.3 1 112 235 14 SER CB C 65.009 0.3 1 113 235 14 SER N N 115.677 0.13 1 114 236 15 PHE H H 8.48 0.05 1 115 236 15 PHE HA H 4.803 0.05 1 116 236 15 PHE HB2 H 3.064 0.05 1 117 236 15 PHE HB3 H 2.889 0.05 1 118 236 15 PHE HD1 H 7.407 0.05 3 119 236 15 PHE HD2 H 7.407 0.05 3 120 236 15 PHE HE1 H 7.229 0.05 3 121 236 15 PHE HE2 H 7.229 0.05 3 122 236 15 PHE HZ H 6.979 0.05 1 123 236 15 PHE C C 174.412 0.3 1 124 236 15 PHE CA C 57.29 0.3 1 125 236 15 PHE CB C 41.072 0.3 1 126 236 15 PHE CD1 C 130.633 0.3 3 127 236 15 PHE CD2 C 130.633 0.3 3 128 236 15 PHE CE1 C 130.549 0.3 3 129 236 15 PHE CE2 C 130.549 0.3 3 130 236 15 PHE CZ C 126.299 0.3 1 131 236 15 PHE N N 120.569 0.13 1 132 237 16 LYS H H 8.796 0.05 1 133 237 16 LYS HA H 4.79 0.05 1 134 237 16 LYS HB2 H 1.704 0.05 2 135 237 16 LYS HB3 H 1.703 0.05 2 136 237 16 LYS HG2 H 1.484 0.05 2 137 237 16 LYS HG3 H 1.372 0.05 2 138 237 16 LYS HD2 H 1.562 0.05 2 139 237 16 LYS HD3 H 1.621 0.05 2 140 237 16 LYS HE2 H 2.914 0.05 2 141 237 16 LYS HE3 H 2.914 0.05 2 142 237 16 LYS C C 174.481 0.3 1 143 237 16 LYS CA C 52.639 0.3 1 144 237 16 LYS CB C 33.344 0.3 1 145 237 16 LYS CG C 25.162 0.3 1 146 237 16 LYS CD C 28.898 0.3 1 147 237 16 LYS CE C 42.18 0.3 1 148 237 16 LYS N N 120.37 0.13 1 149 238 17 PRO HA H 4.544 0.05 1 150 238 17 PRO HB2 H 1.646 0.05 2 151 238 17 PRO HB3 H 1.96 0.05 2 152 238 17 PRO HG2 H 2.076 0.05 2 153 238 17 PRO HG3 H 2.313 0.05 2 154 238 17 PRO HD2 H 3.67 0.05 2 155 238 17 PRO HD3 H 3.489 0.05 2 156 238 17 PRO C C 175.513 0.3 1 157 238 17 PRO CA C 62.252 0.3 1 158 238 17 PRO CB C 31.448 0.3 1 159 238 17 PRO CG C 26.976 0.3 1 160 238 17 PRO CD C 49.662 0.3 1 161 239 18 VAL H H 8.1 0.05 1 162 239 18 VAL HA H 4.065 0.05 1 163 239 18 VAL HB H 1.875 0.05 1 164 239 18 VAL HG1 H 0.815 0.05 2 165 239 18 VAL HG2 H 0.824 0.05 2 166 239 18 VAL C C 174.903 0.3 1 167 239 18 VAL CA C 61.63 0.3 1 168 239 18 VAL CB C 33.143 0.3 1 169 239 18 VAL CG1 C 21.43 0.3 2 170 239 18 VAL CG2 C 20.558 0.3 2 171 239 18 VAL N N 119.994 0.13 1 172 240 19 ALA H H 8.28 0.05 1 173 240 19 ALA HA H 4.314 0.05 1 174 240 19 ALA HB H 1.268 0.05 1 175 240 19 ALA C C 176.744 0.3 1 176 240 19 ALA CA C 52.137 0.3 1 177 240 19 ALA CB C 19.899 0.3 1 178 240 19 ALA N N 127.513 0.13 1 179 241 20 TRP H H 7.724 0.05 1 180 241 20 TRP HA H 2.873 0.05 1 181 241 20 TRP HB3 H 3.151 0.05 1 182 241 20 TRP HD1 H 7.282 0.05 1 183 241 20 TRP HE1 H 10.177 0.05 1 184 241 20 TRP HZ2 H 7.465 0.05 1 185 241 20 TRP HZ3 H 7.032 0.05 1 186 241 20 TRP HH2 H 7.186 0.05 1 187 241 20 TRP C C 174.984 0.3 1 188 241 20 TRP CA C 59.658 0.3 1 189 241 20 TRP CB C 29.666 0.3 1 190 241 20 TRP N N 119.004 0.13 1 191 241 20 TRP NE1 N 129.696 0.13 1 192 242 21 GLN HA H 4.009 0.05 1 193 242 21 GLN HB2 H 2.043 0.05 2 194 242 21 GLN HB3 H 2.047 0.05 2 195 242 21 GLN HG2 H 2.494 0.05 2 196 242 21 GLN HG3 H 2.427 0.05 2 197 242 21 GLN CA C 55.09 0.3 1 198 242 21 GLN CB C 33.338 0.3 1 199 242 21 GLN CG C 30.895 0.3 1 200 243 22 LEU HB2 H 1.664 0.05 2 201 243 22 LEU HB3 H 1.515 0.05 2 202 243 22 LEU HG H 1.652 0.05 1 203 243 22 LEU HD1 H 0.825 0.05 2 204 243 22 LEU HD2 H 0.936 0.05 2 205 243 22 LEU CA C 55.015 0.3 1 206 243 22 LEU CB C 43.097 0.3 1 207 243 22 LEU CG C 27.094 0.3 1 208 243 22 LEU CD1 C 23.786 0.3 2 209 243 22 LEU CD2 C 25.026 0.3 2 210 244 23 ASP CA C 54.573 0.3 1 211 244 23 ASP CB C 38.729 0.3 1 212 245 24 ASN H H 8.341 0.05 1 213 245 24 ASN C C 175.454 0.3 1 214 245 24 ASN CA C 54.877 0.3 1 215 245 24 ASN CB C 38.958 0.3 1 216 245 24 ASN N N 117.168 0.13 1 217 246 25 ASP H H 8.184 0.05 1 218 246 25 ASP HA H 4.696 0.05 1 219 246 25 ASP HB2 H 2.639 0.05 2 220 246 25 ASP HB3 H 2.791 0.05 2 221 246 25 ASP C C 176.329 0.3 1 222 246 25 ASP CA C 54.491 0.3 1 223 246 25 ASP CB C 41.757 0.3 1 224 246 25 ASP N N 119.267 0.13 1 225 247 26 GLY H H 8.175 0.05 1 226 247 26 GLY HA2 H 3.75 0.05 2 227 247 26 GLY HA3 H 4.087 0.05 2 228 247 26 GLY C C 174.062 0.3 1 229 247 26 GLY CA C 45.827 0.3 1 230 247 26 GLY N N 108.387 0.13 1 231 248 27 ASN H H 8.489 0.05 1 232 248 27 ASN HA H 4.707 0.05 1 233 248 27 ASN HB2 H 2.696 0.05 2 234 248 27 ASN HB3 H 2.858 0.05 2 235 248 27 ASN C C 174.896 0.3 1 236 248 27 ASN CA C 53.114 0.3 1 237 248 27 ASN CB C 39.112 0.3 1 238 248 27 ASN N N 119.09 0.13 1 239 249 28 LYS H H 8.334 0.05 1 240 249 28 LYS HA H 4.431 0.05 1 241 249 28 LYS HB2 H 1.663 0.05 1 242 249 28 LYS HB3 H 1.663 0.05 1 243 249 28 LYS HG2 H 1.347 0.05 2 244 249 28 LYS HG3 H 1.159 0.05 2 245 249 28 LYS HD2 H 1.337 0.05 2 246 249 28 LYS HD3 H 1.381 0.05 2 247 249 28 LYS HE2 H 2.635 0.05 2 248 249 28 LYS HE3 H 2.574 0.05 2 249 249 28 LYS C C 176.384 0.3 1 250 249 28 LYS CA C 56.812 0.3 1 251 249 28 LYS CB C 32.903 0.3 1 252 249 28 LYS CG C 24.972 0.3 1 253 249 28 LYS CD C 28.921 0.3 1 254 249 28 LYS CE C 41.715 0.3 1 255 249 28 LYS N N 121.266 0.13 1 256 250 29 VAL H H 8.561 0.05 1 257 250 29 VAL HA H 4.273 0.05 1 258 250 29 VAL HB H 2.059 0.05 1 259 250 29 VAL HG1 H 0.904 0.05 2 260 250 29 VAL HG2 H 0.904 0.05 2 261 250 29 VAL C C 175.402 0.3 1 262 250 29 VAL CA C 61.701 0.3 1 263 250 29 VAL CB C 33.667 0.3 1 264 250 29 VAL CG1 C 20.428 0.3 2 265 250 29 VAL CG2 C 21.331 0.3 2 266 250 29 VAL N N 121.631 0.13 1 267 251 30 ASN H H 8.496 0.05 1 268 251 30 ASN HA H 4.765 0.05 1 269 251 30 ASN HB2 H 2.624 0.05 2 270 251 30 ASN HB3 H 2.735 0.05 2 271 251 30 ASN C C 174.98 0.3 1 272 251 30 ASN CA C 53.436 0.3 1 273 251 30 ASN CB C 39.011 0.3 1 274 251 30 ASN N N 122.256 0.13 1 275 252 31 VAL H H 7.978 0.05 1 276 252 31 VAL HA H 4.145 0.05 1 277 252 31 VAL HB H 1.992 0.05 1 278 252 31 VAL HG1 H 0.814 0.05 2 279 252 31 VAL HG2 H 0.807 0.05 2 280 252 31 VAL C C 175.018 0.3 1 281 252 31 VAL CA C 61.866 0.3 1 282 252 31 VAL CB C 33.231 0.3 1 283 252 31 VAL CG1 C 21.363 0.3 2 284 252 31 VAL CG2 C 20.478 0.3 2 285 252 31 VAL N N 120.065 0.13 1 286 253 32 ASP H H 8.328 0.05 1 287 253 32 ASP HA H 4.601 0.05 1 288 253 32 ASP HB2 H 2.595 0.05 2 289 253 32 ASP HB3 H 2.881 0.05 2 290 253 32 ASP C C 176.312 0.3 1 291 253 32 ASP CA C 54.075 0.3 1 292 253 32 ASP CB C 41.822 0.3 1 293 253 32 ASP N N 123.567 0.13 1 294 254 33 ASN H H 8.619 0.05 1 295 254 33 ASN HA H 4.658 0.05 1 296 254 33 ASN C C 175.535 0.3 1 297 254 33 ASN CA C 53.495 0.3 1 298 254 33 ASN CB C 39.43 0.3 1 299 254 33 ASN N N 122.169 0.13 1 300 255 34 ARG H H 8.127 0.05 1 301 255 34 ARG HA H 4.012 0.05 1 302 255 34 ARG HB2 H 1.096 0.05 2 303 255 34 ARG HB3 H 1.121 0.05 2 304 255 34 ARG HG2 H 1.412 0.05 2 305 255 34 ARG HG3 H 1.527 0.05 2 306 255 34 ARG HD2 H 3.143 0.05 2 307 255 34 ARG HD3 H 2.894 0.05 2 308 255 34 ARG C C 176.123 0.3 1 309 255 34 ARG CA C 58.476 0.3 1 310 255 34 ARG CB C 30.84 0.3 1 311 255 34 ARG CG C 26.84 0.3 1 312 255 34 ARG CD C 43.579 0.3 1 313 255 34 ARG N N 118.426 0.13 1 314 256 35 PHE H H 7.72 0.05 1 315 256 35 PHE HA H 5.738 0.05 1 316 256 35 PHE HB2 H 2.818 0.05 1 317 256 35 PHE HB3 H 3.199 0.05 1 318 256 35 PHE HD1 H 7.097 0.05 3 319 256 35 PHE HD2 H 7.097 0.05 3 320 256 35 PHE HE1 H 7.228 0.05 3 321 256 35 PHE HE2 H 7.228 0.05 3 322 256 35 PHE C C 174.765 0.3 1 323 256 35 PHE CA C 55.373 0.3 1 324 256 35 PHE CB C 42.483 0.3 1 325 256 35 PHE CD1 C 131.173 0.3 3 326 256 35 PHE CD2 C 131.173 0.3 3 327 256 35 PHE CE1 C 131.576 0.3 3 328 256 35 PHE CE2 C 131.576 0.3 3 329 256 35 PHE N N 116.288 0.13 1 330 257 36 ALA H H 8.553 0.05 1 331 257 36 ALA HA H 4.514 0.05 1 332 257 36 ALA HB H 0.408 0.05 1 333 257 36 ALA C C 175.472 0.3 1 334 257 36 ALA CA C 50.697 0.3 1 335 257 36 ALA CB C 22.354 0.3 1 336 257 36 ALA N N 121.623 0.13 1 337 258 37 THR H H 8.64 0.05 1 338 258 37 THR HA H 5.089 0.05 1 339 258 37 THR HB H 4.103 0.05 1 340 258 37 THR HG2 H 1.142 0.05 1 341 258 37 THR C C 173.426 0.3 1 342 258 37 THR CA C 62.615 0.3 1 343 258 37 THR CB C 68.686 0.3 1 344 258 37 THR CG2 C 21.508 0.3 1 345 258 37 THR N N 119.506 0.13 1 346 259 38 VAL H H 9.255 0.05 1 347 259 38 VAL HA H 4.666 0.05 1 348 259 38 VAL HB H 1.844 0.05 1 349 259 38 VAL HG1 H 0.814 0.05 2 350 259 38 VAL HG2 H 0.77 0.05 2 351 259 38 VAL C C 174.966 0.3 1 352 259 38 VAL CA C 60.406 0.3 1 353 259 38 VAL CB C 35.016 0.3 1 354 259 38 VAL CG1 C 22.181 0.3 2 355 259 38 VAL CG2 C 21.249 0.3 2 356 259 38 VAL N N 126.665 0.13 1 357 260 39 THR H H 9.83 0.05 1 358 260 39 THR HA H 4.792 0.05 1 359 260 39 THR HB H 4.2 0.05 1 360 260 39 THR HG2 H 1.052 0.05 1 361 260 39 THR C C 174.43 0.3 1 362 260 39 THR CA C 62.091 0.3 1 363 260 39 THR CB C 68.427 0.3 1 364 260 39 THR CG2 C 22.097 0.3 1 365 260 39 THR N N 124.026 0.13 1 366 261 40 LEU H H 9.117 0.05 1 367 261 40 LEU HA H 5.025 0.05 1 368 261 40 LEU HB2 H 1.59 0.05 2 369 261 40 LEU HB3 H 1.333 0.05 2 370 261 40 LEU HG H 1.575 0.05 1 371 261 40 LEU HD1 H 0.944 0.05 2 372 261 40 LEU HD2 H 0.814 0.05 2 373 261 40 LEU C C 176.533 0.3 1 374 261 40 LEU CA C 52.606 0.3 1 375 261 40 LEU CB C 46.748 0.3 1 376 261 40 LEU CG C 27.005 0.3 1 377 261 40 LEU CD1 C 25.032 0.3 2 378 261 40 LEU CD2 C 27.151 0.3 2 379 261 40 LEU N N 127.381 0.13 1 380 262 41 SER H H 9.422 0.05 1 381 262 41 SER HA H 3.904 0.05 1 382 262 41 SER HB2 H 4.008 0.05 2 383 262 41 SER HB3 H 4.015 0.05 2 384 262 41 SER C C 174.76 0.3 1 385 262 41 SER CA C 60.944 0.3 1 386 262 41 SER CB C 62.013 0.3 1 387 262 41 SER N N 115.831 0.13 1 388 263 42 ALA H H 7.409 0.05 1 389 263 42 ALA HA H 4.829 0.05 1 390 263 42 ALA HB H 1.581 0.05 1 391 263 42 ALA C C 176.12 0.3 1 392 263 42 ALA CA C 52.12 0.3 1 393 263 42 ALA CB C 22.493 0.3 1 394 263 42 ALA N N 119.814 0.13 1 395 264 43 THR H H 7.568 0.05 1 396 264 43 THR HA H 4.547 0.05 1 397 264 43 THR HB H 4.55 0.05 1 398 264 43 THR HG2 H 0.937 0.05 1 399 264 43 THR C C 174.196 0.3 1 400 264 43 THR CA C 59.381 0.3 1 401 264 43 THR CB C 68.975 0.3 1 402 264 43 THR CG2 C 21.032 0.3 1 403 264 43 THR N N 102.837 0.13 1 404 265 44 THR H H 7.271 0.05 1 405 265 44 THR HA H 3.853 0.05 1 406 265 44 THR HB H 3.909 0.05 1 407 265 44 THR HG2 H 1.25 0.05 1 408 265 44 THR C C 174.384 0.3 1 409 265 44 THR CA C 63.749 0.3 1 410 265 44 THR CB C 69.453 0.3 1 411 265 44 THR CG2 C 21.43 0.3 1 412 265 44 THR N N 116.428 0.13 1 413 266 45 GLY H H 8.783 0.05 1 414 266 45 GLY HA2 H 4.152 0.05 2 415 266 45 GLY HA3 H 3.683 0.05 2 416 266 45 GLY C C 174.081 0.3 1 417 266 45 GLY CA C 45.347 0.3 1 418 266 45 GLY N N 113.827 0.13 1 419 267 46 MET H H 7.901 0.05 1 420 267 46 MET HA H 4.68 0.05 1 421 267 46 MET HB2 H 2.035 0.05 2 422 267 46 MET HB3 H 1.744 0.05 2 423 267 46 MET HG2 H 2.305 0.05 2 424 267 46 MET HG3 H 2.299 0.05 2 425 267 46 MET C C 174.969 0.3 1 426 267 46 MET CA C 55.931 0.3 1 427 267 46 MET CB C 35.58 0.3 1 428 267 46 MET CG C 33.398 0.3 1 429 267 46 MET N N 118.601 0.13 1 430 268 47 LYS H H 9.029 0.05 1 431 268 47 LYS HA H 4.57 0.05 1 432 268 47 LYS HB2 H 1.739 0.05 2 433 268 47 LYS HB3 H 1.81 0.05 2 434 268 47 LYS HG2 H 1.192 0.05 2 435 268 47 LYS HG3 H 1.574 0.05 2 436 268 47 LYS HD2 H 1.627 0.05 2 437 268 47 LYS HD3 H 1.673 0.05 2 438 268 47 LYS HE2 H 3.015 0.05 2 439 268 47 LYS HE3 H 3.047 0.05 2 440 268 47 LYS C C 174.74 0.3 1 441 268 47 LYS CA C 54.55 0.3 1 442 268 47 LYS CB C 36.136 0.3 1 443 268 47 LYS CG C 23.006 0.3 1 444 268 47 LYS CD C 29.039 0.3 1 445 268 47 LYS CE C 42.11 0.3 1 446 268 47 LYS N N 120.243 0.13 1 447 269 48 ARG H H 8.368 0.05 1 448 269 48 ARG HA H 3.701 0.05 1 449 269 48 ARG HB2 H 1.72 0.05 2 450 269 48 ARG HB3 H 1.785 0.05 2 451 269 48 ARG HG2 H 1.861 0.05 2 452 269 48 ARG HG3 H 1.507 0.05 2 453 269 48 ARG HD2 H 3.254 0.05 2 454 269 48 ARG HD3 H 3.371 0.05 2 455 269 48 ARG C C 176.742 0.3 1 456 269 48 ARG CA C 58.027 0.3 1 457 269 48 ARG CB C 29.959 0.3 1 458 269 48 ARG CG C 27.073 0.3 1 459 269 48 ARG CD C 43.786 0.3 1 460 269 48 ARG N N 119.826 0.13 1 461 270 49 GLY HA2 H 4.536 0.05 2 462 270 49 GLY HA3 H 3.657 0.05 2 463 270 49 GLY C C 174.915 0.3 1 464 270 49 GLY CA C 44.878 0.3 1 465 271 50 ASP H H 8.045 0.05 1 466 271 50 ASP HA H 4.701 0.05 1 467 271 50 ASP HB2 H 2.554 0.05 2 468 271 50 ASP HB3 H 2.755 0.05 2 469 271 50 ASP C C 174.63 0.3 1 470 271 50 ASP CA C 55.878 0.3 1 471 271 50 ASP CB C 41.482 0.3 1 472 271 50 ASP N N 121.824 0.13 1 473 272 51 LYS H H 8.583 0.05 1 474 272 51 LYS HA H 5.427 0.05 1 475 272 51 LYS HB2 H 1.632 0.05 1 476 272 51 LYS HB3 H 1.853 0.05 1 477 272 51 LYS HG2 H 1.603 0.05 2 478 272 51 LYS HG3 H 1.471 0.05 2 479 272 51 LYS HD2 H 1.69 0.05 2 480 272 51 LYS HD3 H 1.622 0.05 2 481 272 51 LYS HE2 H 2.999 0.05 2 482 272 51 LYS HE3 H 2.998 0.05 2 483 272 51 LYS C C 175.557 0.3 1 484 272 51 LYS CA C 54.372 0.3 1 485 272 51 LYS CB C 34.694 0.3 1 486 272 51 LYS CG C 25.339 0.3 1 487 272 51 LYS CD C 29.072 0.3 1 488 272 51 LYS CE C 42.284 0.3 1 489 272 51 LYS N N 119.522 0.13 1 490 273 52 ILE H H 9.103 0.05 1 491 273 52 ILE HA H 5.514 0.05 1 492 273 52 ILE HB H 1.514 0.05 1 493 273 52 ILE HG12 H 0.72 0.05 2 494 273 52 ILE HG13 H 1.055 0.05 2 495 273 52 ILE HG2 H 0.71 0.05 1 496 273 52 ILE HD1 H 0.484 0.05 1 497 273 52 ILE C C 173.541 0.3 1 498 273 52 ILE CA C 58.337 0.3 1 499 273 52 ILE CB C 42.639 0.3 1 500 273 52 ILE CG1 C 25.222 0.3 1 501 273 52 ILE CG2 C 17.631 0.3 1 502 273 52 ILE CD1 C 14.146 0.3 1 503 273 52 ILE N N 115.791 0.13 1 504 274 53 SER H H 8.542 0.05 1 505 274 53 SER HA H 4.909 0.05 1 506 274 53 SER HB2 H 3.817 0.05 2 507 274 53 SER HB3 H 3.698 0.05 2 508 274 53 SER C C 171.051 0.3 1 509 274 53 SER CA C 56.405 0.3 1 510 274 53 SER CB C 67.739 0.3 1 511 274 53 SER N N 114.965 0.13 1 512 275 54 PHE H H 10.284 0.05 1 513 275 54 PHE HA H 5.097 0.05 1 514 275 54 PHE HB2 H 2.784 0.05 2 515 275 54 PHE HB3 H 3.152 0.05 2 516 275 54 PHE HD1 H 6.979 0.05 3 517 275 54 PHE HD2 H 6.979 0.05 3 518 275 54 PHE HE1 H 6.453 0.05 3 519 275 54 PHE HE2 H 6.453 0.05 3 520 275 54 PHE HZ H 6.618 0.05 1 521 275 54 PHE C C 175.897 0.3 1 522 275 54 PHE CA C 55.902 0.3 1 523 275 54 PHE CB C 40.884 0.3 1 524 275 54 PHE CD1 C 130.514 0.3 3 525 275 54 PHE CD2 C 130.514 0.3 3 526 275 54 PHE CE1 C 126.974 0.3 3 527 275 54 PHE CE2 C 126.974 0.3 3 528 275 54 PHE CZ C 127.207 0.3 1 529 275 54 PHE N N 123.139 0.13 1 530 276 55 ALA H H 8.284 0.05 1 531 276 55 ALA HA H 4.258 0.05 1 532 276 55 ALA HB H 1.474 0.05 1 533 276 55 ALA C C 177.864 0.3 1 534 276 55 ALA CA C 54.015 0.3 1 535 276 55 ALA CB C 19.125 0.3 1 536 276 55 ALA N N 125.203 0.13 1 537 277 56 GLY H H 8.656 0.05 1 538 277 56 GLY HA2 H 3.587 0.05 2 539 277 56 GLY HA3 H 4.381 0.05 2 540 277 56 GLY C C 174.347 0.3 1 541 277 56 GLY CA C 45.319 0.3 1 542 277 56 GLY N N 112.223 0.13 1 543 278 57 VAL H H 8.313 0.05 1 544 278 57 VAL HA H 4.569 0.05 1 545 278 57 VAL HB H 2.486 0.05 1 546 278 57 VAL HG1 H 1.073 0.05 2 547 278 57 VAL HG2 H 0.766 0.05 2 548 278 57 VAL C C 175.283 0.3 1 549 278 57 VAL CA C 62.797 0.3 1 550 278 57 VAL CB C 31.196 0.3 1 551 278 57 VAL CG1 C 20.362 0.3 2 552 278 57 VAL CG2 C 21.574 0.3 2 553 278 57 VAL N N 123.958 0.13 1 554 279 58 LYS H H 9.196 0.05 1 555 279 58 LYS HA H 4.522 0.05 1 556 279 58 LYS HB2 H 1.843 0.05 1 557 279 58 LYS HB3 H 1.617 0.05 1 558 279 58 LYS HG2 H 1.319 0.05 2 559 279 58 LYS HG3 H 1.482 0.05 2 560 279 58 LYS HD2 H 1.587 0.05 2 561 279 58 LYS HD3 H 1.464 0.05 2 562 279 58 LYS HE2 H 2.822 0.05 2 563 279 58 LYS HE3 H 3.008 0.05 2 564 279 58 LYS C C 175.989 0.3 1 565 279 58 LYS CA C 54.918 0.3 1 566 279 58 LYS CB C 36.221 0.3 1 567 279 58 LYS CG C 25.478 0.3 1 568 279 58 LYS CD C 28.976 0.3 1 569 279 58 LYS CE C 43.099 0.3 1 570 279 58 LYS N N 127.489 0.13 1 571 280 59 PHE H H 9.219 0.05 1 572 280 59 PHE HA H 5.539 0.05 1 573 280 59 PHE HB2 H 2.851 0.05 1 574 280 59 PHE HB3 H 3.426 0.05 1 575 280 59 PHE HD1 H 7.489 0.05 3 576 280 59 PHE HD2 H 7.489 0.05 3 577 280 59 PHE HE1 H 7.109 0.05 3 578 280 59 PHE HE2 H 7.109 0.05 3 579 280 59 PHE HZ H 6.584 0.05 1 580 280 59 PHE C C 177.541 0.3 1 581 280 59 PHE CA C 57.028 0.3 1 582 280 59 PHE CB C 38.984 0.3 1 583 280 59 PHE CD1 C 130.211 0.3 3 584 280 59 PHE CD2 C 130.211 0.3 3 585 280 59 PHE CE1 C 130.366 0.3 3 586 280 59 PHE CE2 C 130.366 0.3 3 587 280 59 PHE N N 119.349 0.13 1 588 281 60 LEU H H 8.452 0.05 1 589 281 60 LEU HA H 4.267 0.05 1 590 281 60 LEU HB2 H 1.484 0.05 2 591 281 60 LEU HB3 H 1.671 0.05 2 592 281 60 LEU HG H 1.301 0.05 1 593 281 60 LEU HD1 H 0.848 0.05 2 594 281 60 LEU HD2 H 0.826 0.05 2 595 281 60 LEU C C 176.555 0.3 1 596 281 60 LEU CA C 56.116 0.3 1 597 281 60 LEU CB C 41.928 0.3 1 598 281 60 LEU CG C 27.299 0.3 1 599 281 60 LEU CD1 C 25.908 0.3 2 600 281 60 LEU CD2 C 22.104 0.3 2 601 281 60 LEU N N 124.703 0.13 1 602 282 61 GLY H H 8.357 0.05 1 603 282 61 GLY HA2 H 3.991 0.05 1 604 282 61 GLY HA3 H 3.991 0.05 1 605 282 61 GLY C C 174.346 0.3 1 606 282 61 GLY CA C 45.711 0.3 1 607 282 61 GLY N N 109.108 0.13 1 608 283 62 GLN HA H 4.347 0.05 1 609 283 62 GLN HB2 H 2.232 0.05 2 610 283 62 GLN HB3 H 2.232 0.05 2 611 283 62 GLN HG2 H 2.476 0.05 2 612 283 62 GLN HG3 H 2.455 0.05 2 613 283 62 GLN C C 177.152 0.3 1 614 283 62 GLN CA C 57.063 0.3 1 615 283 62 GLN CB C 29.162 0.3 1 616 283 62 GLN CG C 34.609 0.3 1 617 284 63 MET H H 8.062 0.05 1 618 284 63 MET HA H 4.372 0.05 1 619 284 63 MET HB2 H 2.198 0.05 2 620 284 63 MET HB3 H 2.078 0.05 2 621 284 63 MET HG2 H 2.641 0.05 2 622 284 63 MET HG3 H 2.494 0.05 2 623 284 63 MET C C 176.306 0.3 1 624 284 63 MET CA C 57.062 0.3 1 625 284 63 MET CB C 33.504 0.3 1 626 284 63 MET CG C 32.061 0.3 1 627 284 63 MET N N 119.419 0.13 1 628 285 64 ALA H H 7.945 0.05 1 629 285 64 ALA HB H 1.42 0.05 1 630 285 64 ALA C C 177.645 0.3 1 631 285 64 ALA CA C 53.08 0.3 1 632 285 64 ALA CB C 19.26 0.3 1 633 285 64 ALA N N 120.965 0.13 1 634 286 65 LYS H H 7.757 0.05 1 635 286 65 LYS HA H 4.26 0.05 1 636 286 65 LYS HB2 H 1.923 0.05 2 637 286 65 LYS HB3 H 1.829 0.05 2 638 286 65 LYS HG2 H 1.503 0.05 2 639 286 65 LYS HG3 H 1.434 0.05 2 640 286 65 LYS HD2 H 1.693 0.05 2 641 286 65 LYS HD3 H 1.696 0.05 2 642 286 65 LYS HE2 H 3.002 0.05 2 643 286 65 LYS HE3 H 3.003 0.05 2 644 286 65 LYS C C 176.115 0.3 1 645 286 65 LYS CA C 56.481 0.3 1 646 286 65 LYS CB C 32.575 0.3 1 647 286 65 LYS CG C 24.829 0.3 1 648 286 65 LYS CD C 28.849 0.3 1 649 286 65 LYS CE C 42.124 0.3 1 650 286 65 LYS N N 116.273 0.13 1 651 287 66 ASN H H 8.126 0.05 1 652 287 66 ASN HA H 4.683 0.05 1 653 287 66 ASN HB2 H 2.841 0.05 1 654 287 66 ASN HB3 H 2.841 0.05 1 655 287 66 ASN C C 174.506 0.3 1 656 287 66 ASN CA C 53.361 0.3 1 657 287 66 ASN CB C 38.997 0.3 1 658 287 66 ASN N N 116.339 0.13 1 659 288 67 VAL H H 8.09 0.05 1 660 288 67 VAL HA H 4.143 0.05 1 661 288 67 VAL HB H 2.129 0.05 1 662 288 67 VAL HG1 H 0.98 0.05 2 663 288 67 VAL HG2 H 0.984 0.05 2 664 288 67 VAL C C 176.004 0.3 1 665 288 67 VAL CA C 63.117 0.3 1 666 288 67 VAL CB C 32.576 0.3 1 667 288 67 VAL CG1 C 20.633 0.3 2 668 288 67 VAL CG2 C 21.288 0.3 2 669 288 67 VAL N N 120.04 0.13 1 670 289 68 LEU H H 8.129 0.05 1 671 289 68 LEU HA H 4.439 0.05 1 672 289 68 LEU HB2 H 1.644 0.05 2 673 289 68 LEU HB3 H 1.692 0.05 2 674 289 68 LEU HG H 1.59 0.05 1 675 289 68 LEU HD1 H 0.946 0.05 2 676 289 68 LEU HD2 H 0.886 0.05 2 677 289 68 LEU C C 176.339 0.3 1 678 289 68 LEU CA C 54.484 0.3 1 679 289 68 LEU CB C 41.419 0.3 1 680 289 68 LEU CG C 26.9 0.3 1 681 289 68 LEU CD1 C 25.025 0.3 2 682 289 68 LEU CD2 C 23.352 0.3 2 683 289 68 LEU N N 124.226 0.13 1 684 290 69 ALA H H 8.002 0.05 1 685 290 69 ALA HA H 4.249 0.05 1 686 290 69 ALA HB H 1.414 0.05 1 687 290 69 ALA C C 177.626 0.3 1 688 290 69 ALA CA C 52.634 0.3 1 689 290 69 ALA CB C 19.423 0.3 1 690 290 69 ALA N N 124.232 0.13 1 691 291 70 GLN H H 8.272 0.05 1 692 291 70 GLN HA H 4.302 0.05 1 693 291 70 GLN HB2 H 2.17 0.05 1 694 291 70 GLN HB3 H 2.001 0.05 1 695 291 70 GLN HG2 H 2.458 0.05 2 696 291 70 GLN HG3 H 2.455 0.05 2 697 291 70 GLN C C 175.149 0.3 1 698 291 70 GLN CA C 55.136 0.3 1 699 291 70 GLN CB C 30.011 0.3 1 700 291 70 GLN CG C 33.905 0.3 1 701 291 70 GLN N N 120.148 0.13 1 702 292 71 ASP H H 8.42 0.05 1 703 292 71 ASP HA H 4.709 0.05 1 704 292 71 ASP HB2 H 2.431 0.05 1 705 292 71 ASP HB3 H 2.911 0.05 1 706 292 71 ASP C C 176.388 0.3 1 707 292 71 ASP CA C 55.289 0.3 1 708 292 71 ASP CB C 41.006 0.3 1 709 292 71 ASP N N 121.207 0.13 1 710 293 72 ALA H H 9.631 0.05 1 711 293 72 ALA HA H 3.678 0.05 1 712 293 72 ALA HB H 0.195 0.05 1 713 293 72 ALA C C 177.115 0.3 1 714 293 72 ALA CA C 52.732 0.3 1 715 293 72 ALA CB C 17.513 0.3 1 716 293 72 ALA N N 126.037 0.13 1 717 294 73 THR H H 7.067 0.05 1 718 294 73 THR HA H 4.71 0.05 1 719 294 73 THR HB H 3.954 0.05 1 720 294 73 THR HG2 H 1.146 0.05 1 721 294 73 THR C C 172.547 0.3 1 722 294 73 THR CA C 60.869 0.3 1 723 294 73 THR CB C 70.49 0.3 1 724 294 73 THR CG2 C 22.072 0.3 1 725 294 73 THR N N 114.05 0.13 1 726 295 74 PHE H H 9.414 0.05 1 727 295 74 PHE HA H 4.946 0.05 1 728 295 74 PHE HB2 H 2.744 0.05 1 729 295 74 PHE HB3 H 2.977 0.05 1 730 295 74 PHE HD1 H 7.425 0.05 3 731 295 74 PHE HD2 H 7.425 0.05 3 732 295 74 PHE HE1 H 7.279 0.05 3 733 295 74 PHE HE2 H 7.279 0.05 3 734 295 74 PHE HZ H 6.801 0.05 1 735 295 74 PHE C C 175.181 0.3 1 736 295 74 PHE CA C 56.683 0.3 1 737 295 74 PHE CB C 42.268 0.3 1 738 295 74 PHE CD1 C 130.447 0.3 3 739 295 74 PHE CD2 C 130.447 0.3 3 740 295 74 PHE CE1 C 130.947 0.3 3 741 295 74 PHE CE2 C 130.947 0.3 3 742 295 74 PHE CZ C 131.547 0.3 1 743 295 74 PHE N N 123.544 0.13 1 744 296 75 SER H H 8.969 0.05 1 745 296 75 SER HA H 5.335 0.05 1 746 296 75 SER HB2 H 3.757 0.05 2 747 296 75 SER HB3 H 3.758 0.05 2 748 296 75 SER C C 174.416 0.3 1 749 296 75 SER CA C 58.215 0.3 1 750 296 75 SER CB C 64.675 0.3 1 751 296 75 SER N N 115.755 0.13 1 752 297 76 VAL H H 9.131 0.05 1 753 297 76 VAL HA H 4.039 0.05 1 754 297 76 VAL HB H 2.302 0.05 1 755 297 76 VAL HG1 H 0.879 0.05 2 756 297 76 VAL HG2 H 0.626 0.05 2 757 297 76 VAL C C 176.32 0.3 1 758 297 76 VAL CA C 63.521 0.3 1 759 297 76 VAL CB C 31.456 0.3 1 760 297 76 VAL CG1 C 21.629 0.3 2 761 297 76 VAL CG2 C 22.529 0.3 2 762 297 76 VAL N N 123.984 0.13 1 763 298 77 VAL H H 9.435 0.05 1 764 298 77 VAL HA H 3.85 0.05 1 765 298 77 VAL HB H 1.689 0.05 1 766 298 77 VAL HG2 H 0.795 0.05 1 767 298 77 VAL C C 175.981 0.3 1 768 298 77 VAL CA C 64.07 0.3 1 769 298 77 VAL CB C 32.794 0.3 1 770 298 77 VAL CG2 C 20.93 0.3 1 771 298 77 VAL N N 132.732 0.13 1 772 299 78 ARG H H 7.392 0.05 1 773 299 78 ARG HA H 4.363 0.05 1 774 299 78 ARG HB2 H 1.706 0.05 2 775 299 78 ARG HB3 H 1.847 0.05 2 776 299 78 ARG HG2 H 1.299 0.05 2 777 299 78 ARG HG3 H 1.386 0.05 2 778 299 78 ARG HD2 H 3.012 0.05 2 779 299 78 ARG HD3 H 3.162 0.05 2 780 299 78 ARG C C 174.14 0.3 1 781 299 78 ARG CA C 55.94 0.3 1 782 299 78 ARG CB C 33.873 0.3 1 783 299 78 ARG CG C 27.326 0.3 1 784 299 78 ARG CD C 43.602 0.3 1 785 299 78 ARG N N 113.751 0.13 1 786 300 79 VAL H H 9.252 0.05 1 787 300 79 VAL HA H 4.128 0.05 1 788 300 79 VAL HB H 2.093 0.05 1 789 300 79 VAL HG1 H 0.958 0.05 2 790 300 79 VAL HG2 H 0.768 0.05 2 791 300 79 VAL C C 175.561 0.3 1 792 300 79 VAL CA C 63.378 0.3 1 793 300 79 VAL CB C 30.837 0.3 1 794 300 79 VAL CG1 C 21.804 0.3 2 795 300 79 VAL CG2 C 20.692 0.3 2 796 300 79 VAL N N 126.67 0.13 1 797 301 80 VAL H H 8.094 0.05 1 798 301 80 VAL HA H 3.518 0.05 1 799 301 80 VAL HB H 1.729 0.05 1 800 301 80 VAL HG1 H 0.852 0.05 2 801 301 80 VAL HG2 H 0.808 0.05 2 802 301 80 VAL C C 175.714 0.3 1 803 301 80 VAL CA C 65.885 0.3 1 804 301 80 VAL CB C 33.069 0.3 1 805 301 80 VAL CG1 C 20.564 0.3 2 806 301 80 VAL CG2 C 21.554 0.3 2 807 301 80 VAL N N 130.077 0.13 1 808 302 81 ASP H H 8.083 0.05 1 809 302 81 ASP HA H 4.545 0.05 1 810 302 81 ASP HB2 H 3.223 0.05 2 811 302 81 ASP HB3 H 3.195 0.05 2 812 302 81 ASP C C 176.144 0.3 1 813 302 81 ASP CA C 53.525 0.3 1 814 302 81 ASP CB C 39.328 0.3 1 815 302 81 ASP N N 115.04 0.13 1 816 303 82 GLY H H 8.67 0.05 1 817 303 82 GLY HA2 H 3.948 0.05 2 818 303 82 GLY HA3 H 4.033 0.05 2 819 303 82 GLY C C 174.568 0.3 1 820 303 82 GLY CA C 47.148 0.3 1 821 303 82 GLY N N 103.911 0.13 1 822 304 83 THR H H 8.454 0.05 1 823 304 83 THR HA H 4.373 0.05 1 824 304 83 THR HB H 4.661 0.05 1 825 304 83 THR HG2 H 1.076 0.05 1 826 304 83 THR C C 172.662 0.3 1 827 304 83 THR CA C 61.069 0.3 1 828 304 83 THR CB C 71.642 0.3 1 829 304 83 THR CG2 C 22.616 0.3 1 830 304 83 THR N N 106.441 0.13 1 831 305 84 HIS H H 7.722 0.05 1 832 305 84 HIS HA H 6.006 0.05 1 833 305 84 HIS HB2 H 2.693 0.05 1 834 305 84 HIS HB3 H 2.823 0.05 1 835 305 84 HIS HD2 H 7.165 0.05 1 836 305 84 HIS HE1 H 8.351 0.05 1 837 305 84 HIS C C 174.159 0.3 1 838 305 84 HIS CA C 55.882 0.3 1 839 305 84 HIS CB C 30.896 0.3 1 840 305 84 HIS CD2 C 116.845 0.3 1 841 305 84 HIS CE1 C 137.364 0.3 1 842 305 84 HIS N N 117.307 0.13 1 843 306 85 VAL H H 8.769 0.05 1 844 306 85 VAL HA H 4.933 0.05 1 845 306 85 VAL HB H 2.09 0.05 1 846 306 85 VAL HG1 H 0.94 0.05 2 847 306 85 VAL HG2 H 1.043 0.05 2 848 306 85 VAL C C 172.016 0.3 1 849 306 85 VAL CA C 59.35 0.3 1 850 306 85 VAL CB C 35.852 0.3 1 851 306 85 VAL CG1 C 21.422 0.3 2 852 306 85 VAL CG2 C 22.192 0.3 2 853 306 85 VAL N N 117.339 0.13 1 854 307 86 GLU H H 9.011 0.05 1 855 307 86 GLU HA H 5.492 0.05 1 856 307 86 GLU HB2 H 1.888 0.05 1 857 307 86 GLU HB3 H 1.681 0.05 1 858 307 86 GLU HG2 H 2.007 0.05 2 859 307 86 GLU HG3 H 2.048 0.05 2 860 307 86 GLU C C 176.359 0.3 1 861 307 86 GLU CA C 54.887 0.3 1 862 307 86 GLU CB C 32.57 0.3 1 863 307 86 GLU CG C 36.761 0.3 1 864 307 86 GLU N N 125.438 0.13 1 865 308 87 ILE H H 9.417 0.05 1 866 308 87 ILE HA H 5.785 0.05 1 867 308 87 ILE HB H 1.944 0.05 1 868 308 87 ILE HG12 H 1.401 0.05 2 869 308 87 ILE HG13 H 0.953 0.05 2 870 308 87 ILE HG2 H 0.862 0.05 1 871 308 87 ILE HD1 H 0.41 0.05 1 872 308 87 ILE C C 173.812 0.3 1 873 308 87 ILE CA C 59.11 0.3 1 874 308 87 ILE CB C 43.253 0.3 1 875 308 87 ILE CG1 C 24.816 0.3 1 876 308 87 ILE CG2 C 18.087 0.3 1 877 308 87 ILE CD1 C 14.112 0.3 1 878 308 87 ILE N N 119.222 0.13 1 879 309 88 THR H H 8.471 0.05 1 880 309 88 THR HA H 5.158 0.05 1 881 309 88 THR HB H 4.107 0.05 1 882 309 88 THR HG2 H 1.18 0.05 1 883 309 88 THR C C 172.187 0.3 1 884 309 88 THR CA C 57.94 0.3 1 885 309 88 THR CB C 72.573 0.3 1 886 309 88 THR CG2 C 19.392 0.3 1 887 309 88 THR N N 113.592 0.13 1 888 310 89 PRO HA H 5.169 0.05 1 889 310 89 PRO HB2 H 2.044 0.05 2 890 310 89 PRO HB3 H 2.437 0.05 2 891 310 89 PRO HG2 H 1.701 0.05 2 892 310 89 PRO HG3 H 1.943 0.05 2 893 310 89 PRO HD2 H 3.623 0.05 2 894 310 89 PRO HD3 H 4.058 0.05 2 895 310 89 PRO C C 174.189 0.3 1 896 310 89 PRO CA C 63.023 0.3 1 897 310 89 PRO CB C 35.021 0.3 1 898 310 89 PRO CG C 24.642 0.3 1 899 310 89 PRO CD C 50.285 0.3 1 900 311 90 LYS H H 7.72 0.05 1 901 311 90 LYS HA H 4.056 0.05 1 902 311 90 LYS HB2 H 1.583 0.05 2 903 311 90 LYS HB3 H 1.497 0.05 2 904 311 90 LYS HG2 H 0.943 0.05 2 905 311 90 LYS HG3 H 1.064 0.05 2 906 311 90 LYS HD2 H 1.649 0.05 2 907 311 90 LYS HD3 H 1.482 0.05 2 908 311 90 LYS HE2 H 3.008 0.05 2 909 311 90 LYS HE3 H 3.008 0.05 2 910 311 90 LYS C C 175.58 0.3 1 911 311 90 LYS CA C 53.949 0.3 1 912 311 90 LYS CB C 33.143 0.3 1 913 311 90 LYS CG C 23.647 0.3 1 914 311 90 LYS CD C 29.656 0.3 1 915 311 90 LYS CE C 41.479 0.3 1 916 311 90 LYS N N 117.631 0.13 1 917 312 91 PRO HA H 5.05 0.05 1 918 312 91 PRO HB2 H 2.064 0.05 2 919 312 91 PRO HB3 H 2.071 0.05 2 920 312 91 PRO HG2 H 2.058 0.05 2 921 312 91 PRO HG3 H 1.394 0.05 2 922 312 91 PRO HD2 H 2.868 0.05 2 923 312 91 PRO HD3 H 3.758 0.05 2 924 312 91 PRO C C 175.013 0.3 1 925 312 91 PRO CA C 62.3 0.3 1 926 312 91 PRO CB C 30.657 0.3 1 927 312 91 PRO CG C 26.39 0.3 1 928 312 91 PRO CD C 49.757 0.3 1 929 313 92 VAL H H 9.67 0.05 1 930 313 92 VAL HA H 4.162 0.05 1 931 313 92 VAL HB H 2.11 0.05 1 932 313 92 VAL HG1 H 0.849 0.05 2 933 313 92 VAL HG2 H 0.733 0.05 2 934 313 92 VAL C C 174.579 0.3 1 935 313 92 VAL CA C 62.518 0.3 1 936 313 92 VAL CB C 33.418 0.3 1 937 313 92 VAL CG2 C 20.081 0.3 1 938 313 92 VAL N N 130.408 0.13 1 939 314 93 ALA H H 8.945 0.05 1 940 314 93 ALA HA H 4.612 0.05 1 941 314 93 ALA HB H 1.279 0.05 1 942 314 93 ALA C C 177.23 0.3 1 943 314 93 ALA CA C 51.708 0.3 1 944 314 93 ALA CB C 21.919 0.3 1 945 314 93 ALA N N 131.619 0.13 1 946 315 94 LEU H H 8.661 0.05 1 947 315 94 LEU HA H 3.909 0.05 1 948 315 94 LEU HB2 H 1.964 0.05 2 949 315 94 LEU HB3 H 1.616 0.05 2 950 315 94 LEU HG H 1.733 0.05 1 951 315 94 LEU HD1 H 0.956 0.05 2 952 315 94 LEU HD2 H 0.962 0.05 2 953 315 94 LEU C C 176.848 0.3 1 954 315 94 LEU CA C 56.834 0.3 1 955 315 94 LEU CB C 43.424 0.3 1 956 315 94 LEU CG C 26.554 0.3 1 957 315 94 LEU CD1 C 25.91 0.3 2 958 315 94 LEU CD2 C 23.641 0.3 2 959 315 94 LEU N N 121.75 0.13 1 960 316 95 ASP H H 7.352 0.05 1 961 316 95 ASP HA H 4.426 0.05 1 962 316 95 ASP HB2 H 2.634 0.05 1 963 316 95 ASP HB3 H 3.154 0.05 1 964 316 95 ASP C C 176.559 0.3 1 965 316 95 ASP CA C 52.788 0.3 1 966 316 95 ASP CB C 40.11 0.3 1 967 316 95 ASP N N 113.763 0.13 1 968 317 96 ASP H H 7.073 0.05 1 969 317 96 ASP HA H 4.62 0.05 1 970 317 96 ASP HB2 H 2.646 0.05 1 971 317 96 ASP HB3 H 3.337 0.05 1 972 317 96 ASP C C 178.389 0.3 1 973 317 96 ASP CA C 53.896 0.3 1 974 317 96 ASP CB C 40.778 0.3 1 975 317 96 ASP N N 118.077 0.13 1 976 318 97 VAL H H 8.236 0.05 1 977 318 97 VAL HA H 4.074 0.05 1 978 318 97 VAL HB H 2.379 0.05 1 979 318 97 VAL HG1 H 1.083 0.05 2 980 318 97 VAL HG2 H 1.002 0.05 2 981 318 97 VAL C C 176.311 0.3 1 982 318 97 VAL CA C 63.393 0.3 1 983 318 97 VAL CB C 31.478 0.3 1 984 318 97 VAL CG1 C 21.227 0.3 2 985 318 97 VAL CG2 C 18.912 0.3 2 986 318 97 VAL N N 124.922 0.13 1 987 319 98 SER H H 8.787 0.05 1 988 319 98 SER HA H 4.378 0.05 1 989 319 98 SER HB2 H 3.978 0.05 1 990 319 98 SER HB3 H 3.799 0.05 1 991 319 98 SER C C 175.188 0.3 1 992 319 98 SER CA C 59.597 0.3 1 993 319 98 SER CB C 64.114 0.3 1 994 319 98 SER N N 117.235 0.13 1 995 320 99 LEU H H 7.06 0.05 1 996 320 99 LEU HA H 4.481 0.05 1 997 320 99 LEU HB2 H 1.476 0.05 1 998 320 99 LEU HB3 H 1.809 0.05 1 999 320 99 LEU HG H 1.804 0.05 1 1000 320 99 LEU HD1 H 0.782 0.05 2 1001 320 99 LEU HD2 H 1.019 0.05 2 1002 320 99 LEU C C 177.323 0.3 1 1003 320 99 LEU CA C 54.425 0.3 1 1004 320 99 LEU CB C 42.133 0.3 1 1005 320 99 LEU CG C 26.523 0.3 1 1006 320 99 LEU CD1 C 22.921 0.3 2 1007 320 99 LEU CD2 C 26.904 0.3 2 1008 320 99 LEU N N 121.181 0.13 1 1009 321 100 SER H H 8.866 0.05 1 1010 321 100 SER HA H 4.808 0.05 1 1011 321 100 SER HB2 H 4.455 0.05 2 1012 321 100 SER HB3 H 3.988 0.05 2 1013 321 100 SER C C 173.394 0.3 1 1014 321 100 SER CA C 56.54 0.3 1 1015 321 100 SER CB C 62.846 0.3 1 1016 321 100 SER N N 120.188 0.13 1 1017 322 101 PRO HA H 4.156 0.05 1 1018 322 101 PRO HB2 H 2.415 0.05 2 1019 322 101 PRO HB3 H 1.958 0.05 2 1020 322 101 PRO HG2 H 2.051 0.05 2 1021 322 101 PRO HG3 H 2.283 0.05 2 1022 322 101 PRO HD2 H 3.946 0.05 2 1023 322 101 PRO HD3 H 3.945 0.05 2 1024 322 101 PRO C C 179.438 0.3 1 1025 322 101 PRO CA C 66.541 0.3 1 1026 322 101 PRO CB C 31.688 0.3 1 1027 322 101 PRO CG C 28.3 0.3 1 1028 322 101 PRO CD C 50.017 0.3 1 1029 323 102 GLU H H 8.666 0.05 1 1030 323 102 GLU HA H 4.081 0.05 1 1031 323 102 GLU HB2 H 2.038 0.05 2 1032 323 102 GLU HB3 H 2.078 0.05 2 1033 323 102 GLU HG2 H 2.438 0.05 2 1034 323 102 GLU HG3 H 2.329 0.05 2 1035 323 102 GLU C C 179.006 0.3 1 1036 323 102 GLU CA C 59.837 0.3 1 1037 323 102 GLU CB C 29.14 0.3 1 1038 323 102 GLU CG C 37.098 0.3 1 1039 323 102 GLU N N 116.201 0.13 1 1040 324 103 GLN H H 7.699 0.05 1 1041 324 103 GLN HA H 4.164 0.05 1 1042 324 103 GLN HB2 H 2.589 0.05 2 1043 324 103 GLN HB3 H 1.762 0.05 2 1044 324 103 GLN HG2 H 2.595 0.05 2 1045 324 103 GLN HG3 H 2.313 0.05 2 1046 324 103 GLN HE21 H 6.863 0.05 1 1047 324 103 GLN HE22 H 7.591 0.05 1 1048 324 103 GLN C C 178.303 0.3 1 1049 324 103 GLN CA C 58.133 0.3 1 1050 324 103 GLN CB C 30.332 0.3 1 1051 324 103 GLN CG C 34.655 0.3 1 1052 324 103 GLN N N 117.309 0.13 1 1053 324 103 GLN NE2 N 110.858 0.13 1 1054 325 104 ARG H H 8.5 0.05 1 1055 325 104 ARG HA H 3.793 0.05 1 1056 325 104 ARG HB2 H 1.863 0.05 2 1057 325 104 ARG HB3 H 1.864 0.05 2 1058 325 104 ARG HG2 H 1.797 0.05 2 1059 325 104 ARG HG3 H 1.815 0.05 2 1060 325 104 ARG HD2 H 3.244 0.05 2 1061 325 104 ARG HD3 H 3.377 0.05 2 1062 325 104 ARG C C 177.731 0.3 1 1063 325 104 ARG CA C 59.341 0.3 1 1064 325 104 ARG CB C 29.996 0.3 1 1065 325 104 ARG CG C 28.581 0.3 1 1066 325 104 ARG CD C 43.362 0.3 1 1067 325 104 ARG N N 119.479 0.13 1 1068 326 105 ALA H H 7.222 0.05 1 1069 326 105 ALA HA H 4.032 0.05 1 1070 326 105 ALA HB H 1.177 0.05 1 1071 326 105 ALA C C 178.016 0.3 1 1072 326 105 ALA CA C 54.122 0.3 1 1073 326 105 ALA CB C 18.309 0.3 1 1074 326 105 ALA N N 119.978 0.13 1 1075 327 106 TYR H H 7.663 0.05 1 1076 327 106 TYR HA H 4.402 0.05 1 1077 327 106 TYR HB2 H 2.886 0.05 1 1078 327 106 TYR HB3 H 3.399 0.05 1 1079 327 106 TYR HD1 H 7.29 0.05 3 1080 327 106 TYR HD2 H 7.29 0.05 3 1081 327 106 TYR HE1 H 6.821 0.05 3 1082 327 106 TYR HE2 H 6.821 0.05 3 1083 327 106 TYR C C 175.226 0.3 1 1084 327 106 TYR CA C 57.704 0.3 1 1085 327 106 TYR CB C 38.016 0.3 1 1086 327 106 TYR CE1 C 118.479 0.3 3 1087 327 106 TYR CE2 C 118.479 0.3 3 1088 327 106 TYR N N 114.712 0.13 1 1089 328 107 ALA H H 7.57 0.05 1 1090 328 107 ALA HA H 3.988 0.05 1 1091 328 107 ALA HB H 1.396 0.05 1 1092 328 107 ALA C C 176.932 0.3 1 1093 328 107 ALA CA C 53.728 0.3 1 1094 328 107 ALA CB C 17.994 0.3 1 1095 328 107 ALA N N 122.089 0.13 1 1096 329 108 ASN H H 9.776 0.05 1 1097 329 108 ASN HA H 5.02 0.05 1 1098 329 108 ASN HB2 H 3.259 0.05 2 1099 329 108 ASN HB3 H 3.026 0.05 2 1100 329 108 ASN HD21 H 7.208 0.05 1 1101 329 108 ASN HD22 H 7.871 0.05 1 1102 329 108 ASN C C 176.353 0.3 1 1103 329 108 ASN CA C 52.755 0.3 1 1104 329 108 ASN CB C 39.383 0.3 1 1105 329 108 ASN N N 118.012 0.13 1 1106 329 108 ASN ND2 N 106.346 0.13 1 1107 330 109 VAL H H 8.454 0.05 1 1108 330 109 VAL HA H 5.958 0.05 1 1109 330 109 VAL HB H 2.53 0.05 1 1110 330 109 VAL HG1 H 0.972 0.05 2 1111 330 109 VAL HG2 H 0.815 0.05 2 1112 330 109 VAL C C 174.991 0.3 1 1113 330 109 VAL CA C 58.972 0.3 1 1114 330 109 VAL CB C 36.921 0.3 1 1115 330 109 VAL CG1 C 22.294 0.3 2 1116 330 109 VAL CG2 C 18.743 0.3 2 1117 330 109 VAL N N 116.798 0.13 1 1118 331 110 ASN H H 9.478 0.05 1 1119 331 110 ASN HA H 4.239 0.05 1 1120 331 110 ASN HB2 H 2.837 0.05 2 1121 331 110 ASN HB3 H 2.988 0.05 2 1122 331 110 ASN HD21 H 7.1 0.05 1 1123 331 110 ASN HD22 H 8.116 0.05 1 1124 331 110 ASN C C 174.388 0.3 1 1125 331 110 ASN CA C 56.704 0.3 1 1126 331 110 ASN CB C 36.704 0.3 1 1127 331 110 ASN N N 118.452 0.13 1 1128 331 110 ASN ND2 N 114.209 0.13 1 1129 332 111 THR H H 7.488 0.05 1 1130 332 111 THR HA H 5.414 0.05 1 1131 332 111 THR HB H 3.796 0.05 1 1132 332 111 THR HG2 H 1.108 0.05 1 1133 332 111 THR C C 170.532 0.3 1 1134 332 111 THR CA C 59.85 0.3 1 1135 332 111 THR CB C 71.195 0.3 1 1136 332 111 THR CG2 C 17.049 0.3 1 1137 332 111 THR N N 115.158 0.13 1 1138 333 112 SER H H 6.927 0.05 1 1139 333 112 SER HA H 4.443 0.05 1 1140 333 112 SER HB2 H 4.094 0.05 1 1141 333 112 SER HB3 H 3.693 0.05 1 1142 333 112 SER C C 173.725 0.3 1 1143 333 112 SER CA C 56.912 0.3 1 1144 333 112 SER CB C 64.361 0.3 1 1145 333 112 SER N N 113.049 0.13 1 1146 334 113 LEU H H 8.011 0.05 1 1147 334 113 LEU HA H 4.186 0.05 1 1148 334 113 LEU HB2 H 1.878 0.05 1 1149 334 113 LEU HB3 H 1.2 0.05 1 1150 334 113 LEU HG H 1.39 0.05 1 1151 334 113 LEU HD1 H 0.333 0.05 2 1152 334 113 LEU HD2 H -0.037 0.05 2 1153 334 113 LEU C C 176.138 0.3 1 1154 334 113 LEU CA C 55.579 0.3 1 1155 334 113 LEU CB C 40.889 0.3 1 1156 334 113 LEU CG C 27.57 0.3 1 1157 334 113 LEU CD1 C 25.256 0.3 2 1158 334 113 LEU CD2 C 23.355 0.3 2 1159 334 113 LEU N N 117.211 0.13 1 1160 335 114 ALA H H 8.162 0.05 1 1161 335 114 ALA HA H 4.473 0.05 1 1162 335 114 ALA HB H 1.386 0.05 1 1163 335 114 ALA C C 175.93 0.3 1 1164 335 114 ALA CA C 49.936 0.3 1 1165 335 114 ALA CB C 21.591 0.3 1 1166 335 114 ALA N N 130.084 0.13 1 1167 336 115 ASP H H 8.261 0.05 1 1168 336 115 ASP HA H 3.87 0.05 1 1169 336 115 ASP HB2 H 2.525 0.05 2 1170 336 115 ASP HB3 H 2.478 0.05 2 1171 336 115 ASP C C 176.905 0.3 1 1172 336 115 ASP CA C 56.327 0.3 1 1173 336 115 ASP CB C 42.063 0.3 1 1174 336 115 ASP N N 117.804 0.13 1 1175 337 116 ALA H H 8.633 0.05 1 1176 337 116 ALA HA H 3.888 0.05 1 1177 337 116 ALA HB H 1.573 0.05 1 1178 337 116 ALA C C 175.844 0.3 1 1179 337 116 ALA CA C 54.235 0.3 1 1180 337 116 ALA CB C 17.145 0.3 1 1181 337 116 ALA N N 123.09 0.13 1 1182 338 117 MET H H 7.609 0.05 1 1183 338 117 MET HA H 4.19 0.05 1 1184 338 117 MET HB2 H 2.147 0.05 1 1185 338 117 MET HB3 H 2.147 0.05 1 1186 338 117 MET HG2 H 2.82 0.05 1 1187 338 117 MET HG3 H 2.819 0.05 1 1188 338 117 MET C C 176.106 0.3 1 1189 338 117 MET CA C 57.522 0.3 1 1190 338 117 MET CB C 35.982 0.3 1 1191 338 117 MET CG C 33.144 0.3 1 1192 338 117 MET N N 120.309 0.13 1 1193 339 118 ALA H H 8.589 0.05 1 1194 339 118 ALA HA H 4.265 0.05 1 1195 339 118 ALA HB H 1.462 0.05 1 1196 339 118 ALA C C 176.376 0.3 1 1197 339 118 ALA CA C 53.739 0.3 1 1198 339 118 ALA CB C 19.487 0.3 1 1199 339 118 ALA N N 126.972 0.13 1 1200 340 119 VAL H H 7.714 0.05 1 1201 340 119 VAL HA H 4.733 0.05 1 1202 340 119 VAL HB H 1.674 0.05 1 1203 340 119 VAL HG1 H 0.529 0.05 2 1204 340 119 VAL HG2 H 0.98 0.05 2 1205 340 119 VAL C C 175.076 0.3 1 1206 340 119 VAL CA C 60.584 0.3 1 1207 340 119 VAL CB C 33.099 0.3 1 1208 340 119 VAL CG1 C 20.946 0.3 2 1209 340 119 VAL CG2 C 22.69 0.3 2 1210 340 119 VAL N N 121.103 0.13 1 1211 341 120 ASN H H 8.869 0.05 1 1212 341 120 ASN HA H 5.068 0.05 1 1213 341 120 ASN HB2 H 2.521 0.05 1 1214 341 120 ASN HB3 H 2.609 0.05 1 1215 341 120 ASN HD21 H 6.741 0.05 1 1216 341 120 ASN HD22 H 7.425 0.05 1 1217 341 120 ASN C C 173.755 0.3 1 1218 341 120 ASN CA C 51.859 0.3 1 1219 341 120 ASN CB C 41.195 0.3 1 1220 341 120 ASN N N 126.068 0.13 1 1221 341 120 ASN ND2 N 112.591 0.13 1 1222 342 121 ILE H H 8.385 0.05 1 1223 342 121 ILE HA H 4.561 0.05 1 1224 342 121 ILE HB H 1.724 0.05 1 1225 342 121 ILE HG12 H 0.971 0.05 2 1226 342 121 ILE HG13 H 1.508 0.05 2 1227 342 121 ILE HG2 H 0.916 0.05 1 1228 342 121 ILE HD1 H 0.83 0.05 1 1229 342 121 ILE C C 175.901 0.3 1 1230 342 121 ILE CA C 60.801 0.3 1 1231 342 121 ILE CB C 39.05 0.3 1 1232 342 121 ILE CG1 C 27.949 0.3 1 1233 342 121 ILE CG2 C 17.776 0.3 1 1234 342 121 ILE CD1 C 13.741 0.3 1 1235 342 121 ILE N N 122.721 0.13 1 1236 343 122 LEU H H 8.879 0.05 1 1237 343 122 LEU HA H 4.435 0.05 1 1238 343 122 LEU HB2 H 1.585 0.05 2 1239 343 122 LEU HB3 H 1.58 0.05 2 1240 343 122 LEU HG H 1.55 0.05 1 1241 343 122 LEU HD1 H 0.801 0.05 2 1242 343 122 LEU HD2 H 0.809 0.05 2 1243 343 122 LEU C C 176.441 0.3 1 1244 343 122 LEU CA C 55.152 0.3 1 1245 343 122 LEU CB C 42.434 0.3 1 1246 343 122 LEU CG C 27.865 0.3 1 1247 343 122 LEU CD1 C 24.166 0.3 2 1248 343 122 LEU CD2 C 25.201 0.3 2 1249 343 122 LEU N N 129.303 0.13 1 1250 344 123 ASN H H 8.46 0.05 1 1251 344 123 ASN HA H 4.826 0.05 1 1252 344 123 ASN HB2 H 2.803 0.05 2 1253 344 123 ASN HB3 H 2.735 0.05 2 1254 344 123 ASN C C 174.207 0.3 1 1255 344 123 ASN CA C 53.318 0.3 1 1256 344 123 ASN CB C 39.093 0.3 1 1257 344 123 ASN N N 120.564 0.13 1 1258 345 124 VAL H H 7.673 0.05 1 1259 345 124 VAL HA H 4.094 0.05 1 1260 345 124 VAL HB H 2.129 0.05 1 1261 345 124 VAL HG1 H 0.92 0.05 2 1262 345 124 VAL HG2 H 0.932 0.05 2 1263 345 124 VAL C C 180.816 0.3 1 1264 345 124 VAL CA C 63.499 0.3 1 1265 345 124 VAL CB C 33.396 0.3 1 1266 345 124 VAL CG1 C 21.633 0.3 2 1267 345 124 VAL CG2 C 20.117 0.3 2 1268 345 124 VAL N N 123.58 0.13 1 stop_ save_