data_5971 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Letter to the Editor: Backbone and side chain resonance assignments of domain III of tick-borne Langat flavivirus Envelope protein ; _BMRB_accession_number 5971 _BMRB_flat_file_name bmr5971.str _Entry_type original _Submission_date 2003-10-14 _Accession_date 2003-10-14 _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 Mukherjee Munia . . 2 Dutta Kaushik . . 3 Pascal Steven M. . 4 Fox Robert O. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 505 "13C chemical shifts" 417 "15N chemical shifts" 114 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-07-28 original author . stop_ _Original_release_date 2004-07-28 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Backbone and side chain resonance assignments of domain III of tick-borne Langat flavivirus Envelope protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15243186 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mukherjee Munia . . 2 Dutta Kaushik . . 3 Pascal Steven M. . 4 Fox Robert O. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 29 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 535 _Page_last 536 _Year 2004 _Details . loop_ _Keyword Flavivirus Langat 'Domain III' NMR stop_ save_ ################################## # Molecular system description # ################################## save_system_LGT-E-D3 _Saveframe_category molecular_system _Mol_system_name 'Domain III of the E protein of Langat flavivirus' _Abbreviation_common LGT-E-D3 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'LGT-E-D3 monomer' $LGT-E-D3 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' loop_ _Biological_function 'Receptor Binding Domain' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_LGT-E-D3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Langat E-D3' _Abbreviation_common LGT-E-D3 _Molecular_mass 11164 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 108 _Mol_residue_sequence ; GSEFGSKGLTYTVCDKTKFT WKRAPTDSGHDTVVMEVGFS GTRPCRIPVRAVAHGVPEVN VAMLITPNPTMENNGGGFIE MQLPPGDNIIYVGDLNHQWF QKGSSIGR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -6 GLY 2 -5 SER 3 -4 GLU 4 -3 PHE 5 -2 GLY 6 -1 SER 7 300 LYS 8 301 GLY 9 302 LEU 10 303 THR 11 304 TYR 12 305 THR 13 306 VAL 14 307 CYS 15 308 ASP 16 309 LYS 17 310 THR 18 311 LYS 19 312 PHE 20 313 THR 21 314 TRP 22 315 LYS 23 316 ARG 24 317 ALA 25 318 PRO 26 319 THR 27 320 ASP 28 321 SER 29 322 GLY 30 323 HIS 31 324 ASP 32 325 THR 33 326 VAL 34 327 VAL 35 328 MET 36 329 GLU 37 330 VAL 38 331 GLY 39 332 PHE 40 333 SER 41 334 GLY 42 335 THR 43 336 ARG 44 337 PRO 45 338 CYS 46 339 ARG 47 340 ILE 48 341 PRO 49 342 VAL 50 343 ARG 51 344 ALA 52 345 VAL 53 346 ALA 54 347 HIS 55 348 GLY 56 349 VAL 57 350 PRO 58 351 GLU 59 352 VAL 60 353 ASN 61 354 VAL 62 355 ALA 63 356 MET 64 357 LEU 65 358 ILE 66 359 THR 67 360 PRO 68 361 ASN 69 362 PRO 70 363 THR 71 364 MET 72 365 GLU 73 366 ASN 74 367 ASN 75 368 GLY 76 369 GLY 77 370 GLY 78 371 PHE 79 372 ILE 80 373 GLU 81 374 MET 82 375 GLN 83 376 LEU 84 377 PRO 85 378 PRO 86 379 GLY 87 380 ASP 88 381 ASN 89 382 ILE 90 383 ILE 91 384 TYR 92 385 VAL 93 386 GLY 94 387 ASP 95 388 LEU 96 389 ASN 97 390 HIS 98 391 GLN 99 392 TRP 100 393 PHE 101 394 GLN 102 395 LYS 103 396 GLY 104 397 SER 105 398 SER 106 399 ILE 107 400 GLY 108 401 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 BMRB 6800 LGT-E-D3 94.44 102 100.00 100.00 1.86e-69 PDB 1Z66 "Nmr Solution Structure Of Domain Iii Of E-Protein Of Tick- Borne Langat Flavivirus (No Rdc Restraints)" 88.89 96 100.00 100.00 6.22e-65 PDB 2GG1 "Nmr Solution Structure Of Domain Iii Of The E-Protein Of Tick-Borne Langat Flavivirus (Includes Rdc Restraints)" 94.44 102 100.00 100.00 1.86e-69 GB AAA02740 "structural polyprotein, partial [Langat virus]" 94.44 761 100.00 100.00 2.36e-64 GB AAF75259 "polyprotein [Langat virus]" 94.44 3414 100.00 100.00 6.26e-63 GB AAF75260 "polyprotein [Langat virus]" 94.44 3414 99.02 100.00 2.03e-62 GB ABH10022 "envelope protein [Langat virus]" 94.44 496 99.02 100.00 2.25e-65 GB ACH42698 "polyprotein [Langat virus]" 94.44 3414 100.00 100.00 6.51e-63 REF NP_620108 "polyprotein [Langat virus]" 94.44 3414 100.00 100.00 6.26e-63 REF NP_740295 "envelope membrane-associated glycoprotein [Langat virus]" 94.44 499 100.00 100.00 5.77e-66 SP P29837 "RecName: Full=Genome polyprotein; Contains: RecName: Full=Peptide 2k; Contains: RecName: Full=Capsid protein C; AltName: Full=C" 94.44 3414 100.00 100.00 5.91e-63 SP P29838 "RecName: Full=Genome polyprotein; Contains: RecName: Full=Capsid protein C; AltName: Full=Core protein; Contains: RecName: Full" 94.44 776 100.00 100.00 2.15e-64 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $LGT-E-D3 Flaviviridae 11085 viruses Metazoa Flavivirus 'Langat virus' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name _Details $LGT-E-D3 'recombinant technology' 'E. coli' Escherichia coli 'BL21(DE3) Codon Plus' plasmid H-MBP-T 'The first six residues (GSEFGS) are a cloning artifact' 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $LGT-E-D3 0.7 mM 0.7 0.8 '[U-100% 13C; U-100% 15N]' Tris 10 mM . . . Bis-Tris 50 mM . . . NaCL 10 mM . . . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $LGT-E-D3 0.8 mM '[U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version 5.04 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _Sample_label . save_ save_13C-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HSQC _Sample_label . save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_CBCACONH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label . save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_C(C0)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name C(C0)NH _Sample_label . save_ save_HBHACONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _Sample_label . save_ save_HC(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HC(CO)NH _Sample_label . save_ save_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_N15-NOESY-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name N15-NOESY-HSQC _Sample_label . save_ save_N15-TOCSY-HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name N15-TOCSY-HSQC _Sample_label . save_ save_C13-NOESY-HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name C13-NOESY-HSQC _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name C(C0)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HC(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name N15-NOESY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name N15-TOCSY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name C13-NOESY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.1 0.1 n/a temperature 298 0.1 K 'ionic strength' 0.1 0.02 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'LGT-E-D3 monomer' _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 -6 1 GLY CA C 45.283 0.06 1 2 -6 1 GLY HA3 H 3.846 0.02 2 3 -6 1 GLY HA2 H 3.943 0.02 2 4 -6 1 GLY C C 173.957 0.06 1 5 -5 2 SER N N 116.103 0.05 1 6 -5 2 SER H H 8.113 0.02 1 7 -5 2 SER CA C 58.277 0.06 1 8 -5 2 SER HA H 4.470 0.02 1 9 -5 2 SER CB C 63.781 0.06 1 10 -5 2 SER HB2 H 3.818 0.02 2 11 -5 2 SER C C 174.454 0.06 1 12 -4 3 GLU N N 123.300 0.05 1 13 -4 3 GLU H H 8.744 0.02 1 14 -4 3 GLU CA C 56.917 0.06 1 15 -4 3 GLU HA H 4.218 0.02 1 16 -4 3 GLU CB C 29.880 0.06 1 17 -4 3 GLU HB3 H 1.813 0.02 2 18 -4 3 GLU HB2 H 1.891 0.02 2 19 -4 3 GLU CG C 35.901 0.06 1 20 -4 3 GLU HG3 H 2.066 0.02 2 21 -4 3 GLU HG2 H 2.128 0.02 2 22 -4 3 GLU C C 176.358 0.06 1 23 -3 4 PHE N N 121.094 0.05 1 24 -3 4 PHE H H 8.325 0.02 1 25 -3 4 PHE CA C 58.011 0.06 1 26 -3 4 PHE HA H 4.601 0.02 1 27 -3 4 PHE CB C 39.438 0.06 1 28 -3 4 PHE HB3 H 3.003 0.02 2 29 -3 4 PHE HB2 H 3.162 0.02 2 30 -3 4 PHE C C 176.475 0.06 1 31 -2 5 GLY N N 110.565 0.05 1 32 -2 5 GLY H H 8.276 0.02 1 33 -2 5 GLY CA C 45.429 0.06 1 34 -2 5 GLY HA3 H 3.856 0.02 2 35 -2 5 GLY HA2 H 3.933 0.02 2 36 -2 5 GLY C C 174.318 0.06 1 37 -1 6 SER N N 115.627 0.05 1 38 -1 6 SER H H 8.147 0.02 1 39 -1 6 SER CA C 58.463 0.06 1 40 -1 6 SER HA H 4.425 0.02 1 41 -1 6 SER CB C 63.773 0.06 1 42 -1 6 SER HB2 H 3.884 0.02 2 43 -1 6 SER C C 175.083 0.06 1 44 300 7 LYS N N 123.173 0.05 1 45 300 7 LYS H H 8.375 0.02 1 46 300 7 LYS CA C 56.876 0.06 1 47 300 7 LYS HA H 4.242 0.02 1 48 300 7 LYS CB C 32.649 0.06 1 49 300 7 LYS HB3 H 1.748 0.02 2 50 300 7 LYS HB2 H 1.816 0.02 2 51 300 7 LYS CG C 24.740 0.06 1 52 300 7 LYS HG2 H 1.404 0.02 2 53 300 7 LYS CD C 29.078 0.06 1 54 300 7 LYS HD2 H 1.654 0.02 2 55 300 7 LYS CE C 42.189 0.06 1 56 300 7 LYS HE2 H 2.980 0.02 2 57 300 7 LYS C C 177.181 0.06 1 58 301 8 GLY N N 109.103 0.05 1 59 301 8 GLY H H 8.281 0.02 1 60 301 8 GLY CA C 45.362 0.06 1 61 301 8 GLY HA3 H 3.588 0.02 2 62 301 8 GLY HA2 H 3.743 0.02 2 63 301 8 GLY C C 174.111 0.06 1 64 302 9 LEU N N 121.036 0.05 1 65 302 9 LEU H H 7.859 0.02 1 66 302 9 LEU CA C 55.377 0.06 1 67 302 9 LEU HA H 4.350 0.02 1 68 302 9 LEU CB C 42.558 0.06 1 69 302 9 LEU HB3 H 1.396 0.02 2 70 302 9 LEU HB2 H 1.536 0.02 2 71 302 9 LEU CG C 27.097 0.06 1 72 302 9 LEU HG H 1.532 0.02 1 73 302 9 LEU CD1 C 24.866 0.06 2 74 302 9 LEU HD1 H 0.846 0.02 2 75 302 9 LEU CD2 C 23.514 0.06 2 76 302 9 LEU C C 177.286 0.06 1 77 303 10 THR N N 115.260 0.05 1 78 303 10 THR H H 8.089 0.02 1 79 303 10 THR CA C 61.539 0.06 1 80 303 10 THR HA H 4.288 0.02 1 81 303 10 THR CB C 69.671 0.06 1 82 303 10 THR HB H 4.140 0.02 1 83 303 10 THR CG2 C 21.375 0.06 1 84 303 10 THR HG2 H 1.107 0.02 1 85 303 10 THR C C 174.235 0.06 1 86 304 11 TYR N N 122.209 0.05 1 87 304 11 TYR H H 7.924 0.02 1 88 304 11 TYR CA C 55.868 0.06 1 89 304 11 TYR HA H 4.787 0.02 1 90 304 11 TYR CB C 39.614 0.06 1 91 304 11 TYR HB3 H 2.805 0.02 2 92 304 11 TYR HB2 H 3.081 0.02 2 93 304 11 TYR C C 176.413 0.06 1 94 305 12 THR N N 115.476 0.05 1 95 305 12 THR H H 8.464 0.02 1 96 305 12 THR CA C 61.447 0.06 1 97 305 12 THR HA H 4.373 0.02 1 98 305 12 THR CB C 70.070 0.06 1 99 305 12 THR HB H 4.207 0.02 1 100 305 12 THR CG2 C 21.712 0.06 1 101 305 12 THR HG2 H 1.257 0.02 1 102 305 12 THR C C 173.994 0.06 1 103 306 13 VAL N N 124.799 0.05 1 104 306 13 VAL H H 8.577 0.02 1 105 306 13 VAL CA C 63.005 0.06 1 106 306 13 VAL HA H 4.284 0.02 1 107 306 13 VAL CB C 32.185 0.06 1 108 306 13 VAL HB H 1.999 0.02 1 109 306 13 VAL CG2 C 21.022 0.06 2 110 306 13 VAL CG1 C 22.149 0.06 2 111 306 13 VAL HG1 H 1.056 0.02 2 112 306 13 VAL C C 176.615 0.06 1 113 307 14 CYS N N 126.906 0.05 1 114 307 14 CYS H H 9.284 0.02 1 115 307 14 CYS CA C 54.307 0.06 1 116 307 14 CYS HA H 4.607 0.02 1 117 307 14 CYS CB C 41.019 0.06 1 118 307 14 CYS HB3 H 2.178 0.02 2 119 307 14 CYS HB2 H 2.845 0.02 2 120 307 14 CYS C C 174.679 0.06 1 121 308 15 ASP N N 120.451 0.05 1 122 308 15 ASP H H 7.943 0.02 1 123 308 15 ASP CA C 55.175 0.06 1 124 308 15 ASP HA H 4.414 0.02 1 125 308 15 ASP CB C 42.044 0.06 1 126 308 15 ASP HB3 H 2.721 0.02 2 127 308 15 ASP HB2 H 2.849 0.02 2 128 308 15 ASP C C 177.440 0.06 1 129 309 16 LYS N N 124.861 0.05 1 130 309 16 LYS H H 8.299 0.02 1 131 309 16 LYS CA C 58.827 0.06 1 132 309 16 LYS HA H 4.226 0.02 1 133 309 16 LYS CB C 32.571 0.06 1 134 309 16 LYS HB3 H 1.887 0.02 2 135 309 16 LYS HB2 H 2.000 0.02 2 136 309 16 LYS CG C 24.387 0.06 1 137 309 16 LYS HG2 H 1.542 0.02 2 138 309 16 LYS CD C 29.395 0.06 1 139 309 16 LYS HD2 H 1.695 0.02 2 140 309 16 LYS CE C 41.943 0.06 1 141 309 16 LYS HE2 H 3.012 0.02 2 142 309 16 LYS C C 177.554 0.06 1 143 310 17 THR N N 111.536 0.05 1 144 310 17 THR H H 9.012 0.02 1 145 310 17 THR CA C 63.184 0.06 1 146 310 17 THR HA H 4.657 0.02 1 147 310 17 THR CB C 70.423 0.06 1 148 310 17 THR HB H 4.497 0.02 1 149 310 17 THR CG2 C 22.101 0.06 1 150 310 17 THR HG2 H 1.339 0.02 1 151 310 17 THR C C 176.847 0.06 1 152 311 18 LYS N N 119.883 0.05 1 153 311 18 LYS H H 6.870 0.02 1 154 311 18 LYS CA C 55.465 0.06 1 155 311 18 LYS HA H 4.498 0.02 1 156 311 18 LYS CB C 32.716 0.06 1 157 311 18 LYS HB3 H 1.039 0.02 2 158 311 18 LYS HB2 H 1.771 0.02 2 159 311 18 LYS CG C 24.949 0.06 1 160 311 18 LYS HG2 H 0.952 0.02 2 161 311 18 LYS CD C 28.445 0.06 1 162 311 18 LYS HD2 H 1.122 0.02 2 163 311 18 LYS CE C 42.312 0.06 1 164 311 18 LYS HE2 H 2.759 0.02 2 165 311 18 LYS C C 175.226 0.06 1 166 312 19 PHE N N 120.087 0.05 1 167 312 19 PHE H H 9.015 0.02 1 168 312 19 PHE CA C 58.653 0.06 1 169 312 19 PHE HA H 5.584 0.02 1 170 312 19 PHE CB C 41.909 0.06 1 171 312 19 PHE HB3 H 2.748 0.02 2 172 312 19 PHE HB2 H 3.190 0.02 2 173 312 19 PHE CD1 C 129.800 0.06 1 174 312 19 PHE HD1 H 7.400 0.02 1 175 312 19 PHE CD2 C 129.800 0.06 1 176 312 19 PHE HD2 H 7.400 0.02 1 177 312 19 PHE C C 175.473 0.06 1 178 313 20 THR N N 110.186 0.05 1 179 313 20 THR H H 8.234 0.02 1 180 313 20 THR CA C 59.996 0.06 1 181 313 20 THR HA H 4.380 0.02 1 182 313 20 THR CB C 72.223 0.06 1 183 313 20 THR HB H 4.038 0.02 1 184 313 20 THR CG2 C 22.601 0.06 1 185 313 20 THR HG2 H 1.090 0.02 1 186 313 20 THR C C 174.629 0.06 1 187 314 21 TRP N N 121.165 0.05 1 188 314 21 TRP H H 9.002 0.02 1 189 314 21 TRP CA C 57.412 0.06 1 190 314 21 TRP HA H 4.918 0.02 1 191 314 21 TRP CB C 29.784 0.06 1 192 314 21 TRP HB3 H 2.906 0.02 2 193 314 21 TRP HB2 H 3.333 0.02 2 194 314 21 TRP NE1 N 128.156 0.05 1 195 314 21 TRP HE1 H 9.725 0.02 2 196 314 21 TRP C C 176.833 0.06 1 197 315 22 LYS N N 126.702 0.05 1 198 315 22 LYS H H 8.758 0.02 1 199 315 22 LYS CA C 58.076 0.06 1 200 315 22 LYS HA H 4.493 0.02 1 201 315 22 LYS CB C 33.333 0.06 1 202 315 22 LYS HB3 H 1.421 0.02 2 203 315 22 LYS HB2 H 1.609 0.02 2 204 315 22 LYS CG C 25.201 0.06 1 205 315 22 LYS HG2 H 1.300 0.02 2 206 315 22 LYS CD C 29.229 0.06 1 207 315 22 LYS HD3 H 1.515 0.02 2 208 315 22 LYS HD2 H 1.648 0.02 2 209 315 22 LYS CE C 41.905 0.06 1 210 315 22 LYS HE2 H 2.946 0.02 2 211 315 22 LYS C C 177.131 0.06 1 212 316 23 ARG N N 119.924 0.05 1 213 316 23 ARG H H 8.809 0.02 1 214 316 23 ARG CA C 56.216 0.06 1 215 316 23 ARG HA H 4.487 0.02 1 216 316 23 ARG CB C 32.980 0.06 1 217 316 23 ARG HB3 H 1.681 0.02 2 218 316 23 ARG HB2 H 1.793 0.02 2 219 316 23 ARG CG C 26.985 0.06 1 220 316 23 ARG HG3 H 1.511 0.02 2 221 316 23 ARG HG2 H 1.681 0.02 2 222 316 23 ARG CD C 44.040 0.06 1 223 316 23 ARG HD2 H 3.169 0.02 2 224 316 23 ARG NE N 84.718 0.05 1 225 316 23 ARG HE H 7.355 0.02 1 226 316 23 ARG CZ C 159.817 0.06 1 227 316 23 ARG C C 174.508 0.06 1 228 317 24 ALA N N 128.141 0.05 1 229 317 24 ALA H H 8.439 0.02 1 230 317 24 ALA CA C 50.997 0.06 1 231 317 24 ALA CB C 15.917 0.06 1 232 318 25 PRO CA C 63.230 0.06 1 233 318 25 PRO HA H 4.207 0.02 1 234 318 25 PRO CB C 31.168 0.06 1 235 318 25 PRO HB2 H 1.160 0.02 2 236 318 25 PRO CG C 27.905 0.06 1 237 318 25 PRO HG3 H 1.382 0.02 2 238 318 25 PRO HG2 H 1.552 0.02 2 239 318 25 PRO CD C 47.649 0.06 1 240 318 25 PRO C C 174.270 0.06 1 241 319 26 THR N N 117.564 0.05 1 242 319 26 THR H H 8.588 0.02 1 243 319 26 THR CA C 60.801 0.06 1 244 319 26 THR HA H 4.627 0.02 1 245 319 26 THR CB C 72.049 0.06 1 246 319 26 THR HB H 3.891 0.02 1 247 319 26 THR CG2 C 20.096 0.06 1 248 319 26 THR HG2 H 1.124 0.02 1 249 319 26 THR C C 171.885 0.06 1 250 320 27 ASP N N 123.958 0.05 1 251 320 27 ASP H H 8.509 0.02 1 252 320 27 ASP CA C 54.761 0.06 1 253 320 27 ASP HA H 4.702 0.02 1 254 320 27 ASP CB C 42.233 0.06 1 255 320 27 ASP HB2 H 2.963 0.02 2 256 320 27 ASP C C 177.669 0.06 1 257 321 28 SER N N 122.744 0.05 1 258 321 28 SER H H 8.799 0.02 1 259 321 28 SER CA C 58.520 0.06 1 260 321 28 SER HA H 4.008 0.02 1 261 321 28 SER CB C 65.877 0.06 1 262 321 28 SER HB2 H 3.477 0.02 2 263 321 28 SER C C 175.391 0.06 1 264 322 29 GLY N N 110.713 0.05 1 265 322 29 GLY H H 8.841 0.02 1 266 322 29 GLY CA C 45.212 0.06 1 267 322 29 GLY HA3 H 3.723 0.02 2 268 322 29 GLY HA2 H 4.479 0.02 2 269 322 29 GLY C C 174.234 0.06 1 270 323 30 HIS N N 116.989 0.05 1 271 323 30 HIS H H 7.992 0.02 1 272 323 30 HIS CA C 54.280 0.06 1 273 323 30 HIS HA H 5.024 0.02 1 274 323 30 HIS CB C 26.739 0.06 1 275 323 30 HIS HB3 H 2.907 0.02 2 276 323 30 HIS HB2 H 3.400 0.02 2 277 323 30 HIS CD2 C 119.080 0.06 1 278 323 30 HIS HD2 H 7.126 0.02 1 279 323 30 HIS CE1 C 144.540 0.06 1 280 323 30 HIS HE1 H 7.420 0.02 1 281 323 30 HIS C C 173.636 0.06 1 282 324 31 ASP N N 116.674 0.05 1 283 324 31 ASP H H 9.380 0.02 1 284 324 31 ASP CA C 56.004 0.06 1 285 324 31 ASP HA H 4.469 0.02 1 286 324 31 ASP CB C 38.898 0.06 1 287 324 31 ASP HB3 H 2.790 0.02 2 288 324 31 ASP HB2 H 3.015 0.02 2 289 324 31 ASP C C 175.463 0.06 1 290 325 32 THR N N 105.537 0.05 1 291 325 32 THR H H 7.078 0.02 1 292 325 32 THR CA C 59.194 0.06 1 293 325 32 THR HA H 4.882 0.02 1 294 325 32 THR CB C 71.991 0.06 1 295 325 32 THR HB H 4.224 0.02 1 296 325 32 THR CG2 C 22.778 0.06 1 297 325 32 THR HG2 H 1.144 0.02 1 298 325 32 THR C C 172.243 0.06 1 299 326 33 VAL N N 121.928 0.05 1 300 326 33 VAL H H 9.192 0.02 1 301 326 33 VAL CA C 60.896 0.06 1 302 326 33 VAL HA H 4.415 0.02 1 303 326 33 VAL CB C 33.384 0.06 1 304 326 33 VAL HB H 1.160 0.02 1 305 326 33 VAL HG2 H -0.321 0.02 2 306 326 33 VAL CG1 C 20.837 0.06 2 307 326 33 VAL HG1 H 0.064 0.02 2 308 326 33 VAL C C 175.128 0.06 1 309 327 34 VAL N N 117.832 0.05 1 310 327 34 VAL H H 8.555 0.02 1 311 327 34 VAL CA C 58.041 0.06 1 312 327 34 VAL HA H 5.187 0.02 1 313 327 34 VAL CB C 35.182 0.06 1 314 327 34 VAL HB H 1.973 0.02 1 315 327 34 VAL CG2 C 18.031 0.06 2 316 327 34 VAL HG2 H 0.641 0.02 2 317 327 34 VAL CG1 C 22.654 0.06 2 318 327 34 VAL HG1 H 0.837 0.02 2 319 327 34 VAL C C 174.545 0.06 1 320 328 35 MET N N 115.422 0.05 1 321 328 35 MET H H 8.020 0.02 1 322 328 35 MET CA C 54.424 0.06 1 323 328 35 MET HA H 4.332 0.02 1 324 328 35 MET CB C 34.750 0.06 1 325 328 35 MET HB3 H 1.606 0.02 2 326 328 35 MET HB2 H 2.371 0.02 2 327 328 35 MET CG C 29.992 0.06 1 328 328 35 MET HG3 H 2.110 0.02 2 329 328 35 MET HG2 H 2.511 0.02 2 330 328 35 MET C C 172.133 0.06 1 331 329 36 GLU N N 118.299 0.05 1 332 329 36 GLU H H 9.462 0.02 1 333 329 36 GLU CA C 54.806 0.06 1 334 329 36 GLU HA H 5.631 0.02 1 335 329 36 GLU CB C 34.356 0.06 1 336 329 36 GLU HB3 H 1.943 0.02 2 337 329 36 GLU HB2 H 1.991 0.02 2 338 329 36 GLU CG C 36.860 0.06 1 339 329 36 GLU HG2 H 2.185 0.02 2 340 329 36 GLU C C 176.581 0.06 1 341 330 37 VAL N N 120.302 0.05 1 342 330 37 VAL H H 9.109 0.02 1 343 330 37 VAL CA C 59.303 0.06 1 344 330 37 VAL HA H 5.339 0.02 1 345 330 37 VAL CB C 34.424 0.06 1 346 330 37 VAL HB H 2.603 0.02 1 347 330 37 VAL CG2 C 18.364 0.06 2 348 330 37 VAL HG2 H 0.539 0.02 2 349 330 37 VAL CG1 C 23.269 0.06 2 350 330 37 VAL HG1 H 0.947 0.02 2 351 330 37 VAL C C 175.709 0.06 1 352 331 38 GLY N N 109.163 0.05 1 353 331 38 GLY H H 9.128 0.02 1 354 331 38 GLY CA C 43.217 0.06 1 355 331 38 GLY HA3 H 3.466 0.02 2 356 331 38 GLY HA2 H 4.520 0.02 2 357 331 38 GLY C C 172.681 0.06 1 358 332 39 PHE N N 118.470 0.05 1 359 332 39 PHE H H 8.341 0.02 1 360 332 39 PHE CA C 56.831 0.06 1 361 332 39 PHE HA H 5.261 0.02 1 362 332 39 PHE CB C 44.085 0.06 1 363 332 39 PHE HB3 H 2.543 0.02 2 364 332 39 PHE HB2 H 3.020 0.02 2 365 332 39 PHE CD1 C 131.480 0.06 1 366 332 39 PHE HD1 H 6.790 0.02 1 367 332 39 PHE CE1 C 129.880 0.06 3 368 332 39 PHE HE1 H 7.420 0.02 3 369 332 39 PHE CD2 C 131.480 0.06 1 370 332 39 PHE HD2 H 6.790 0.02 1 371 332 39 PHE C C 175.155 0.06 1 372 333 40 SER N N 119.450 0.05 1 373 333 40 SER H H 7.630 0.02 1 374 333 40 SER CA C 57.051 0.06 1 375 333 40 SER CB C 63.868 0.06 1 376 334 41 GLY CA C 45.100 0.06 1 377 334 41 GLY HA3 H 2.892 0.02 2 378 334 41 GLY HA2 H 4.217 0.02 2 379 334 41 GLY C C 172.566 0.06 1 380 335 42 THR N N 117.411 0.05 1 381 335 42 THR H H 8.324 0.02 1 382 335 42 THR CA C 64.293 0.06 1 383 335 42 THR HA H 4.062 0.02 1 384 335 42 THR CB C 69.246 0.06 1 385 335 42 THR HB H 4.009 0.02 1 386 335 42 THR CG2 C 22.283 0.06 1 387 335 42 THR HG2 H 1.223 0.02 1 388 335 42 THR C C 173.471 0.06 1 389 336 43 ARG N N 125.917 0.05 1 390 336 43 ARG H H 8.589 0.02 1 391 336 43 ARG CA C 53.449 0.06 1 392 336 43 ARG HA H 4.170 0.02 1 393 336 43 ARG CB C 32.100 0.06 1 394 336 43 ARG HB3 H 1.550 0.02 2 395 336 43 ARG HG2 H 1.330 0.02 2 396 336 43 ARG NE N 86.188 0.05 1 397 336 43 ARG HE H 8.082 0.02 1 398 336 43 ARG CZ C 159.290 0.06 1 399 337 44 PRO CA C 61.594 0.06 1 400 337 44 PRO HA H 4.890 0.02 1 401 337 44 PRO CB C 35.339 0.06 1 402 337 44 PRO HB3 H 1.544 0.02 2 403 337 44 PRO HB2 H 2.219 0.02 2 404 337 44 PRO CG C 24.616 0.06 1 405 337 44 PRO HG3 H 1.496 0.02 2 406 337 44 PRO HG2 H 1.780 0.02 2 407 337 44 PRO CD C 50.310 0.06 1 408 337 44 PRO HD2 H 3.469 0.02 2 409 337 44 PRO C C 175.804 0.06 1 410 338 45 CYS N N 113.976 0.05 1 411 338 45 CYS H H 8.735 0.02 1 412 338 45 CYS CA C 55.124 0.06 1 413 338 45 CYS HA H 5.020 0.02 1 414 338 45 CYS CB C 44.082 0.06 1 415 338 45 CYS HB3 H 2.942 0.02 2 416 338 45 CYS HB2 H 3.257 0.02 2 417 338 45 CYS C C 172.098 0.06 1 418 339 46 ARG N N 120.641 0.05 1 419 339 46 ARG H H 9.316 0.02 1 420 339 46 ARG CA C 55.509 0.06 1 421 339 46 ARG HA H 4.470 0.02 1 422 339 46 ARG CB C 31.651 0.06 1 423 339 46 ARG HB3 H 1.667 0.02 2 424 339 46 ARG HB2 H 1.754 0.02 2 425 339 46 ARG CG C 27.188 0.06 1 426 339 46 ARG HG2 H 1.515 0.02 2 427 339 46 ARG CD C 43.313 0.06 1 428 339 46 ARG HD2 H 3.076 0.02 2 429 339 46 ARG NE N 83.754 0.05 1 430 339 46 ARG HE H 7.067 0.02 1 431 339 46 ARG CZ C 159.368 0.06 1 432 339 46 ARG C C 174.843 0.06 1 433 340 47 ILE N N 127.949 0.05 1 434 340 47 ILE H H 8.448 0.02 1 435 340 47 ILE CA C 60.884 0.06 1 436 340 47 ILE CB C 39.899 0.06 1 437 341 48 PRO CA C 61.779 0.06 1 438 341 48 PRO HA H 4.799 0.02 1 439 341 48 PRO CB C 29.283 0.06 1 440 341 48 PRO HB3 H 1.888 0.02 2 441 341 48 PRO HB2 H 2.146 0.02 2 442 341 48 PRO CG C 26.665 0.06 1 443 341 48 PRO HG3 H 1.990 0.02 2 444 341 48 PRO HG2 H 2.152 0.02 2 445 341 48 PRO CD C 50.481 0.06 1 446 341 48 PRO HD3 H 3.343 0.02 2 447 341 48 PRO HD2 H 4.104 0.02 2 448 341 48 PRO C C 173.995 0.06 1 449 342 49 VAL N N 124.132 0.05 1 450 342 49 VAL H H 7.853 0.02 1 451 342 49 VAL CA C 58.871 0.06 1 452 342 49 VAL HA H 5.220 0.02 1 453 342 49 VAL CB C 33.694 0.06 1 454 342 49 VAL HB H 1.731 0.02 1 455 342 49 VAL CG2 C 20.183 0.06 2 456 342 49 VAL CG1 C 22.440 0.06 2 457 342 49 VAL HG1 H 0.816 0.02 2 458 342 49 VAL C C 173.599 0.06 1 459 343 50 ARG N N 124.604 0.05 1 460 343 50 ARG H H 9.159 0.02 1 461 343 50 ARG CA C 54.737 0.06 1 462 343 50 ARG HA H 4.619 0.02 1 463 343 50 ARG CB C 32.893 0.06 1 464 343 50 ARG HB3 H 1.719 0.02 2 465 343 50 ARG HB2 H 1.871 0.02 2 466 343 50 ARG CG C 26.899 0.06 1 467 343 50 ARG HG3 H 1.236 0.02 2 468 343 50 ARG HG2 H 1.625 0.02 2 469 343 50 ARG CD C 43.285 0.06 1 470 343 50 ARG HD2 H 2.987 0.02 2 471 343 50 ARG NE N 83.880 0.05 1 472 343 50 ARG HE H 6.825 0.02 1 473 343 50 ARG CZ C 158.999 0.06 1 474 343 50 ARG C C 172.502 0.06 1 475 344 51 ALA N N 119.234 0.05 1 476 344 51 ALA H H 8.503 0.02 1 477 344 51 ALA CA C 51.902 0.06 1 478 344 51 ALA HA H 5.630 0.02 1 479 344 51 ALA CB C 24.803 0.06 1 480 344 51 ALA HB H 1.245 0.02 1 481 344 51 ALA C C 175.210 0.06 1 482 345 52 VAL N N 113.842 0.05 1 483 345 52 VAL H H 9.126 0.02 1 484 345 52 VAL CA C 58.913 0.06 1 485 345 52 VAL HA H 5.159 0.02 1 486 345 52 VAL CB C 34.821 0.06 1 487 345 52 VAL HB H 2.487 0.02 1 488 345 52 VAL CG2 C 20.146 0.06 2 489 345 52 VAL CG1 C 21.458 0.06 2 490 345 52 VAL HG1 H 0.966 0.02 2 491 345 52 VAL C C 174.624 0.06 1 492 346 53 ALA N N 127.303 0.05 1 493 346 53 ALA H H 9.476 0.02 1 494 346 53 ALA CA C 51.419 0.06 1 495 346 53 ALA HA H 4.875 0.02 1 496 346 53 ALA CB C 19.918 0.06 1 497 346 53 ALA HB H 1.374 0.02 1 498 346 53 ALA C C 178.694 0.06 1 499 347 54 HIS N N 120.349 0.05 1 500 347 54 HIS H H 8.605 0.02 1 501 347 54 HIS CA C 57.947 0.06 1 502 347 54 HIS HA H 4.109 0.02 1 503 347 54 HIS CB C 29.181 0.06 1 504 347 54 HIS HB3 H 3.039 0.02 2 505 347 54 HIS HB2 H 3.159 0.02 2 506 347 54 HIS CD2 C 120.110 0.06 1 507 347 54 HIS HD2 H 7.280 0.02 3 508 347 54 HIS C C 176.101 0.06 1 509 348 55 GLY N N 111.725 0.05 1 510 348 55 GLY H H 8.670 0.02 1 511 348 55 GLY CA C 45.181 0.06 1 512 348 55 GLY HA3 H 3.673 0.02 2 513 348 55 GLY HA2 H 4.110 0.02 2 514 348 55 GLY C C 174.195 0.06 1 515 349 56 VAL N N 120.442 0.05 1 516 349 56 VAL H H 7.859 0.02 1 517 349 56 VAL CA C 59.747 0.06 1 518 349 56 VAL HA H 4.620 0.02 1 519 349 56 VAL CB C 32.381 0.06 1 520 349 56 VAL HB H 2.170 0.02 1 521 349 56 VAL HG2 H 0.875 0.02 2 522 349 56 VAL HG1 H 1.030 0.02 2 523 350 57 PRO CA C 64.500 0.06 1 524 350 57 PRO HA H 4.317 0.02 1 525 350 57 PRO CB C 32.349 0.06 1 526 350 57 PRO HB3 H 1.943 0.02 2 527 350 57 PRO HB2 H 2.291 0.02 2 528 350 57 PRO CG C 27.148 0.06 1 529 350 57 PRO HG2 H 1.945 0.02 2 530 350 57 PRO CD C 50.679 0.06 1 531 350 57 PRO HD3 H 3.821 0.02 2 532 350 57 PRO HD2 H 3.451 0.02 2 533 350 57 PRO C C 177.735 0.06 1 534 351 58 GLU N N 115.441 0.05 1 535 351 58 GLU H H 8.888 0.02 1 536 351 58 GLU CA C 58.164 0.06 1 537 351 58 GLU HA H 4.171 0.02 1 538 351 58 GLU CB C 29.344 0.06 1 539 351 58 GLU HB3 H 1.996 0.02 2 540 351 58 GLU HB2 H 2.133 0.02 2 541 351 58 GLU CG C 36.457 0.06 1 542 351 58 GLU HG2 H 2.252 0.02 2 543 351 58 GLU C C 176.381 0.06 1 544 352 59 VAL N N 119.118 0.05 1 545 352 59 VAL H H 6.930 0.02 1 546 352 59 VAL CA C 61.957 0.06 1 547 352 59 VAL HA H 4.196 0.02 1 548 352 59 VAL CB C 33.880 0.06 1 549 352 59 VAL HB H 2.005 0.02 1 550 352 59 VAL CG1 C 20.946 0.06 2 551 352 59 VAL HG1 H 0.872 0.02 2 552 352 59 VAL C C 175.048 0.06 1 553 353 60 ASN N N 125.913 0.05 1 554 353 60 ASN H H 8.828 0.02 1 555 353 60 ASN CA C 52.532 0.06 1 556 353 60 ASN HA H 5.436 0.02 1 557 353 60 ASN CB C 38.653 0.06 1 558 353 60 ASN HB3 H 2.890 0.02 2 559 353 60 ASN HB2 H 3.041 0.02 2 560 353 60 ASN CG C 176.701 0.06 1 561 353 60 ASN ND2 N 113.557 0.05 1 562 353 60 ASN HD21 H 7.304 0.02 2 563 353 60 ASN HD22 H 7.682 0.02 2 564 353 60 ASN C C 176.714 0.06 1 565 354 61 VAL N N 119.545 0.05 1 566 354 61 VAL H H 8.996 0.02 1 567 354 61 VAL CA C 60.312 0.06 1 568 354 61 VAL HA H 4.485 0.02 1 569 354 61 VAL CB C 32.064 0.06 1 570 354 61 VAL HB H 2.400 0.02 1 571 354 61 VAL CG2 C 17.777 0.06 2 572 354 61 VAL HG2 H 0.623 0.02 2 573 354 61 VAL CG1 C 21.678 0.06 2 574 354 61 VAL HG1 H 0.989 0.02 2 575 354 61 VAL C C 176.030 0.06 1 576 355 62 ALA N N 122.421 0.05 1 577 355 62 ALA H H 7.748 0.02 1 578 355 62 ALA CA C 53.185 0.06 1 579 355 62 ALA HA H 4.130 0.02 1 580 355 62 ALA CB C 19.269 0.06 1 581 355 62 ALA HB H 1.322 0.02 1 582 355 62 ALA C C 177.266 0.06 1 583 356 63 MET N N 124.385 0.05 1 584 356 63 MET H H 8.155 0.02 1 585 356 63 MET CA C 54.180 0.06 1 586 356 63 MET HA H 4.708 0.02 1 587 356 63 MET CB C 32.722 0.06 1 588 356 63 MET HB3 H 2.001 0.02 2 589 356 63 MET HB2 H 2.027 0.02 2 590 356 63 MET CG C 31.889 0.06 1 591 356 63 MET HG2 H 2.442 0.02 2 592 356 63 MET C C 175.836 0.06 1 593 357 64 LEU N N 125.913 0.05 1 594 357 64 LEU H H 8.828 0.02 1 595 357 64 LEU CA C 56.034 0.06 1 596 357 64 LEU HA H 4.174 0.02 1 597 357 64 LEU CB C 41.125 0.06 1 598 357 64 LEU HB3 H 1.536 0.02 2 599 357 64 LEU HB2 H 1.758 0.02 2 600 357 64 LEU CG C 25.695 0.06 1 601 357 64 LEU HG H 1.747 0.02 1 602 357 64 LEU CD1 C 27.462 0.06 2 603 357 64 LEU HD1 H 0.941 0.02 2 604 357 64 LEU CD2 C 23.768 0.06 2 605 357 64 LEU HD2 H 0.750 0.02 2 606 357 64 LEU C C 176.482 0.06 1 607 358 65 ILE N N 126.364 0.05 1 608 358 65 ILE H H 8.632 0.02 1 609 358 65 ILE CA C 61.199 0.06 1 610 358 65 ILE HA H 4.004 0.02 1 611 358 65 ILE CB C 37.666 0.06 1 612 358 65 ILE HB H 1.491 0.02 1 613 358 65 ILE CG1 C 28.880 0.06 2 614 358 65 ILE HG13 H 1.367 0.02 2 615 358 65 ILE HG12 H 1.501 0.02 2 616 358 65 ILE CD1 C 11.207 0.06 1 617 358 65 ILE HD1 H 0.763 0.02 1 618 358 65 ILE CG2 C 17.408 0.06 2 619 358 65 ILE HG2 H 0.896 0.02 1 620 358 65 ILE C C 177.557 0.06 1 621 359 66 THR N N 111.890 0.05 1 622 359 66 THR H H 7.463 0.02 1 623 359 66 THR CA C 56.873 0.06 1 624 359 66 THR HA H 4.660 0.02 1 625 359 66 THR CB C 70.712 0.06 1 626 359 66 THR HB H 4.350 0.02 1 627 359 66 THR HG2 H 1.410 0.02 1 628 360 67 PRO CA C 63.023 0.06 1 629 360 67 PRO HA H 4.259 0.02 1 630 360 67 PRO CB C 32.399 0.06 1 631 360 67 PRO HB3 H 1.870 0.02 2 632 360 67 PRO HB2 H 2.266 0.02 2 633 360 67 PRO CG C 27.145 0.06 1 634 360 67 PRO HG3 H 1.903 0.02 2 635 360 67 PRO HG2 H 2.031 0.02 2 636 360 67 PRO CD C 51.297 0.06 1 637 360 67 PRO HD3 H 3.728 0.02 2 638 360 67 PRO HD2 H 4.097 0.02 2 639 360 67 PRO C C 176.489 0.06 1 640 361 68 ASN N N 115.333 0.05 1 641 361 68 ASN H H 8.669 0.02 1 642 361 68 ASN CA C 52.907 0.06 1 643 361 68 ASN HA H 4.525 0.02 1 644 361 68 ASN CB C 39.400 0.06 1 645 361 68 ASN HB3 H 2.568 0.02 2 646 361 68 ASN HB2 H 2.699 0.02 2 647 361 68 ASN ND2 N 112.843 0.05 1 648 361 68 ASN HD21 H 6.542 0.02 2 649 361 68 ASN HD22 H 7.606 0.02 2 650 362 69 PRO CA C 63.986 0.06 1 651 362 69 PRO HA H 4.507 0.02 1 652 362 69 PRO CB C 31.692 0.06 1 653 362 69 PRO HB3 H 1.894 0.02 2 654 362 69 PRO HB2 H 2.138 0.02 2 655 362 69 PRO CG C 28.031 0.06 1 656 362 69 PRO HG3 H 1.789 0.02 2 657 362 69 PRO HG2 H 2.074 0.02 2 658 362 69 PRO CD C 49.631 0.06 1 659 362 69 PRO HD3 H 3.632 0.02 2 660 362 69 PRO HD2 H 3.881 0.02 2 661 362 69 PRO C C 177.235 0.06 1 662 363 70 THR N N 117.155 0.05 1 663 363 70 THR H H 8.483 0.02 1 664 363 70 THR CA C 60.681 0.06 1 665 363 70 THR HA H 4.964 0.02 1 666 363 70 THR CB C 72.670 0.06 1 667 363 70 THR HB H 4.068 0.02 1 668 363 70 THR CG2 C 21.883 0.06 1 669 363 70 THR HG2 H 1.002 0.02 1 670 363 70 THR C C 174.208 0.06 1 671 364 71 MET N N 118.496 0.05 1 672 364 71 MET H H 8.699 0.02 1 673 364 71 MET CA C 53.314 0.06 1 674 364 71 MET HA H 5.069 0.02 1 675 364 71 MET CB C 29.954 0.06 1 676 364 71 MET HB3 H 1.616 0.02 2 677 364 71 MET HB2 H 1.974 0.02 2 678 364 71 MET CG C 30.207 0.06 1 679 364 71 MET HG2 H 2.125 0.02 2 680 364 71 MET C C 175.605 0.06 1 681 365 72 GLU N N 121.393 0.05 1 682 365 72 GLU H H 8.327 0.02 1 683 365 72 GLU CA C 54.027 0.06 1 684 365 72 GLU HA H 4.699 0.02 1 685 365 72 GLU CB C 31.844 0.06 1 686 365 72 GLU HB3 H 1.664 0.02 2 687 365 72 GLU HB2 H 2.324 0.02 2 688 365 72 GLU CG C 35.097 0.06 1 689 365 72 GLU HG3 H 2.222 0.02 2 690 365 72 GLU HG2 H 2.373 0.02 2 691 365 72 GLU C C 176.804 0.06 1 692 366 73 ASN N N 120.987 0.05 1 693 366 73 ASN H H 9.595 0.02 1 694 366 73 ASN CA C 56.989 0.06 1 695 366 73 ASN HA H 4.323 0.02 1 696 366 73 ASN CB C 37.694 0.06 1 697 366 73 ASN HB2 H 2.717 0.02 2 698 366 73 ASN CG C 175.542 0.06 1 699 366 73 ASN ND2 N 111.405 0.05 1 700 366 73 ASN HD21 H 6.803 0.02 2 701 366 73 ASN HD22 H 7.516 0.02 2 702 366 73 ASN C C 176.083 0.06 1 703 367 74 ASN N N 114.113 0.05 1 704 367 74 ASN H H 8.202 0.02 1 705 367 74 ASN CA C 52.542 0.06 1 706 367 74 ASN HA H 4.842 0.02 1 707 367 74 ASN CB C 39.031 0.06 1 708 367 74 ASN HB2 H 2.826 0.02 2 709 367 74 ASN CG C 177.870 0.06 1 710 367 74 ASN ND2 N 112.408 0.05 1 711 367 74 ASN HD21 H 6.860 0.02 2 712 367 74 ASN HD22 H 7.576 0.02 2 713 367 74 ASN C C 174.721 0.06 1 714 368 75 GLY N N 107.103 0.05 1 715 368 75 GLY H H 7.449 0.02 1 716 368 75 GLY CA C 45.714 0.06 1 717 368 75 GLY HA3 H 4.099 0.02 2 718 368 75 GLY HA2 H 4.303 0.02 2 719 368 75 GLY C C 172.538 0.06 1 720 369 76 GLY N N 108.343 0.05 1 721 369 76 GLY H H 8.451 0.02 1 722 369 76 GLY CA C 44.469 0.06 1 723 369 76 GLY HA3 H 4.127 0.02 2 724 369 76 GLY HA2 H 5.055 0.02 2 725 369 76 GLY C C 175.279 0.06 1 726 370 77 GLY N N 107.788 0.05 1 727 370 77 GLY H H 8.904 0.02 1 728 370 77 GLY CA C 46.071 0.06 1 729 370 77 GLY HA3 H 3.567 0.02 2 730 370 77 GLY HA2 H 4.695 0.02 2 731 370 77 GLY C C 173.360 0.06 1 732 371 78 PHE N N 122.312 0.05 1 733 371 78 PHE H H 8.116 0.02 1 734 371 78 PHE CA C 58.181 0.06 1 735 371 78 PHE HA H 5.098 0.02 1 736 371 78 PHE CB C 39.960 0.06 1 737 371 78 PHE HB2 H 3.086 0.02 2 738 371 78 PHE C C 174.876 0.06 1 739 372 79 ILE N N 127.497 0.05 1 740 372 79 ILE H H 7.959 0.02 1 741 372 79 ILE CA C 60.179 0.06 1 742 372 79 ILE HA H 4.306 0.02 1 743 372 79 ILE CB C 42.183 0.06 1 744 372 79 ILE HB H 1.249 0.02 1 745 372 79 ILE CG1 C 27.185 0.06 2 746 372 79 ILE HG13 H 1.250 0.02 2 747 372 79 ILE HG12 H 1.507 0.02 2 748 372 79 ILE CD1 C 14.890 0.06 1 749 372 79 ILE HD1 H 0.596 0.02 1 750 372 79 ILE CG2 C 18.752 0.06 2 751 372 79 ILE HG2 H 0.597 0.02 1 752 372 79 ILE C C 172.315 0.06 1 753 373 80 GLU N N 126.341 0.05 1 754 373 80 GLU H H 8.192 0.02 1 755 373 80 GLU CA C 53.654 0.06 1 756 373 80 GLU HA H 5.304 0.02 1 757 373 80 GLU CB C 32.651 0.06 1 758 373 80 GLU HB3 H 1.847 0.02 2 759 373 80 GLU HB2 H 1.861 0.02 2 760 373 80 GLU CG C 35.627 0.06 1 761 373 80 GLU HG3 H 1.867 0.02 2 762 373 80 GLU HG2 H 2.185 0.02 2 763 373 80 GLU C C 175.562 0.06 1 764 374 81 MET N N 123.007 0.05 1 765 374 81 MET H H 9.291 0.02 1 766 374 81 MET CA C 54.125 0.06 1 767 374 81 MET HA H 5.353 0.02 1 768 374 81 MET CB C 37.869 0.06 1 769 374 81 MET HB3 H 1.561 0.02 2 770 374 81 MET HB2 H 1.917 0.02 2 771 374 81 MET CG C 29.335 0.06 1 772 374 81 MET HG3 H 1.760 0.02 2 773 374 81 MET HG2 H 2.079 0.02 2 774 374 81 MET C C 171.995 0.06 1 775 375 82 GLN N N 121.571 0.05 1 776 375 82 GLN H H 9.249 0.02 1 777 375 82 GLN CA C 54.551 0.06 1 778 375 82 GLN HA H 4.934 0.02 1 779 375 82 GLN CB C 32.155 0.06 1 780 375 82 GLN HB3 H 1.874 0.02 2 781 375 82 GLN HB2 H 2.065 0.02 2 782 375 82 GLN CG C 34.873 0.06 1 783 375 82 GLN HG2 H 2.370 0.02 2 784 375 82 GLN CD C 179.493 0.06 1 785 375 82 GLN NE2 N 111.584 0.05 1 786 375 82 GLN HE21 H 6.766 0.02 2 787 375 82 GLN HE22 H 7.467 0.02 2 788 375 82 GLN C C 174.297 0.06 1 789 376 83 LEU N N 125.337 0.05 1 790 376 83 LEU H H 8.634 0.02 1 791 376 83 LEU CA C 51.458 0.06 1 792 376 83 LEU CB C 44.306 0.06 1 793 378 85 PRO CA C 62.879 0.06 1 794 378 85 PRO HA H 3.817 0.02 1 795 378 85 PRO CB C 32.333 0.06 1 796 378 85 PRO HB3 H 1.709 0.02 2 797 378 85 PRO HB2 H 2.040 0.02 2 798 378 85 PRO CG C 27.879 0.06 1 799 378 85 PRO HG3 H 1.886 0.02 2 800 378 85 PRO HG2 H 2.038 0.02 2 801 378 85 PRO CD C 50.206 0.06 1 802 378 85 PRO HD3 H 3.498 0.02 2 803 378 85 PRO HD2 H 3.764 0.02 2 804 378 85 PRO C C 176.993 0.06 1 805 379 86 GLY N N 110.856 0.05 1 806 379 86 GLY H H 8.788 0.02 1 807 379 86 GLY CA C 43.514 0.06 1 808 379 86 GLY HA3 H 3.325 0.02 2 809 379 86 GLY HA2 H 4.511 0.02 2 810 379 86 GLY C C 172.519 0.06 1 811 380 87 ASP N N 120.009 0.05 1 812 380 87 ASP H H 8.398 0.02 1 813 380 87 ASP CA C 55.218 0.06 1 814 380 87 ASP HA H 4.739 0.02 1 815 380 87 ASP CB C 41.608 0.06 1 816 380 87 ASP HB3 H 2.530 0.02 2 817 380 87 ASP HB2 H 2.675 0.02 2 818 380 87 ASP C C 175.077 0.06 1 819 381 88 ASN N N 123.154 0.05 1 820 381 88 ASN H H 8.874 0.02 1 821 381 88 ASN CA C 52.662 0.06 1 822 381 88 ASN HA H 5.809 0.02 1 823 381 88 ASN CB C 44.819 0.06 1 824 381 88 ASN HB3 H 2.324 0.02 2 825 381 88 ASN HB2 H 2.862 0.02 2 826 381 88 ASN CG C 177.711 0.06 1 827 381 88 ASN ND2 N 112.973 0.05 1 828 381 88 ASN HD21 H 6.636 0.02 2 829 381 88 ASN HD22 H 7.605 0.02 2 830 381 88 ASN C C 174.701 0.06 1 831 382 89 ILE N N 121.853 0.05 1 832 382 89 ILE H H 9.617 0.02 1 833 382 89 ILE CA C 61.900 0.06 1 834 382 89 ILE HA H 4.463 0.02 1 835 382 89 ILE CB C 40.043 0.06 1 836 382 89 ILE HB H 1.685 0.02 1 837 382 89 ILE CG1 C 28.053 0.06 2 838 382 89 ILE HG12 H 1.680 0.02 2 839 382 89 ILE CD1 C 13.477 0.06 1 840 382 89 ILE HD1 H 0.312 0.02 1 841 382 89 ILE CG2 C 18.338 0.06 2 842 382 89 ILE HG2 H 0.758 0.02 1 843 382 89 ILE C C 174.845 0.06 1 844 383 90 ILE N N 127.173 0.05 1 845 383 90 ILE H H 8.763 0.02 1 846 383 90 ILE CA C 61.550 0.06 1 847 383 90 ILE HA H 4.130 0.02 1 848 383 90 ILE CB C 40.901 0.06 1 849 383 90 ILE HB H 1.690 0.02 1 850 383 90 ILE CG1 C 28.145 0.06 2 851 383 90 ILE HG12 H 0.968 0.02 2 852 383 90 ILE CD1 C 15.034 0.06 1 853 383 90 ILE HD1 H 0.511 0.02 1 854 383 90 ILE CG2 C 17.526 0.06 2 855 383 90 ILE HG2 H 0.816 0.02 1 856 383 90 ILE C C 174.228 0.06 1 857 384 91 TYR N N 124.264 0.05 1 858 384 91 TYR H H 9.105 0.02 1 859 384 91 TYR CA C 56.769 0.06 1 860 384 91 TYR HA H 5.492 0.02 1 861 384 91 TYR CB C 41.448 0.06 1 862 384 91 TYR HB3 H 2.630 0.02 2 863 384 91 TYR HB2 H 3.138 0.02 2 864 384 91 TYR CE1 C 119.410 0.06 3 865 384 91 TYR HE1 H 6.700 0.02 3 866 384 91 TYR C C 175.670 0.06 1 867 385 92 VAL N N 122.978 0.05 1 868 385 92 VAL H H 8.445 0.02 1 869 385 92 VAL CA C 61.405 0.06 1 870 385 92 VAL HA H 3.937 0.02 1 871 385 92 VAL CB C 31.231 0.06 1 872 385 92 VAL HB H 1.188 0.02 1 873 385 92 VAL HG2 H -0.408 0.02 2 874 385 92 VAL CG1 C 20.785 0.06 2 875 385 92 VAL HG1 H 0.458 0.02 2 876 385 92 VAL C C 175.191 0.06 1 877 386 93 GLY N N 110.616 0.05 1 878 386 93 GLY H H 7.937 0.02 1 879 386 93 GLY CA C 47.049 0.06 1 880 386 93 GLY HA3 H 3.600 0.02 2 881 386 93 GLY HA2 H 4.040 0.02 2 882 386 93 GLY C C 174.194 0.06 1 883 387 94 ASP N N 126.133 0.05 1 884 387 94 ASP H H 8.755 0.02 1 885 387 94 ASP CA C 55.375 0.06 1 886 387 94 ASP HA H 4.696 0.02 1 887 387 94 ASP CB C 41.247 0.06 1 888 387 94 ASP HB3 H 2.529 0.02 2 889 387 94 ASP HB2 H 2.841 0.02 2 890 387 94 ASP C C 177.634 0.06 1 891 388 95 LEU N N 124.709 0.05 1 892 388 95 LEU H H 8.163 0.02 1 893 388 95 LEU CA C 55.628 0.06 1 894 388 95 LEU HA H 4.204 0.02 1 895 388 95 LEU CB C 41.946 0.06 1 896 388 95 LEU HB3 H 1.404 0.02 2 897 388 95 LEU HB2 H 1.667 0.02 2 898 388 95 LEU CG C 26.140 0.06 1 899 388 95 LEU HG H 1.074 0.02 1 900 388 95 LEU CD1 C 23.546 0.06 2 901 388 95 LEU HD1 H 0.231 0.02 2 902 388 95 LEU HD2 H -0.318 0.02 2 903 388 95 LEU C C 175.862 0.06 1 904 389 96 ASN N N 118.152 0.05 1 905 389 96 ASN H H 8.595 0.02 1 906 389 96 ASN CA C 51.676 0.06 1 907 389 96 ASN HA H 6.157 0.02 1 908 389 96 ASN CB C 43.410 0.06 1 909 389 96 ASN HB3 H 1.881 0.02 2 910 389 96 ASN HB2 H 2.379 0.02 2 911 389 96 ASN CG C 173.921 0.06 1 912 389 96 ASN ND2 N 111.633 0.05 1 913 389 96 ASN HD21 H 5.790 0.02 2 914 389 96 ASN HD22 H 6.716 0.02 2 915 389 96 ASN C C 175.334 0.06 1 916 390 97 HIS N N 119.352 0.05 1 917 390 97 HIS H H 8.827 0.02 1 918 390 97 HIS CA C 56.968 0.06 1 919 390 97 HIS HA H 4.538 0.02 1 920 390 97 HIS CB C 34.581 0.06 1 921 390 97 HIS HB3 H 2.520 0.02 2 922 390 97 HIS HB2 H 3.042 0.02 2 923 390 97 HIS CD2 C 119.790 0.06 1 924 390 97 HIS HD2 H 7.450 0.02 3 925 390 97 HIS C C 174.097 0.06 1 926 391 98 GLN N N 127.791 0.05 1 927 391 98 GLN H H 8.725 0.02 1 928 391 98 GLN CA C 56.825 0.06 1 929 391 98 GLN HA H 4.618 0.02 1 930 391 98 GLN CB C 29.136 0.06 1 931 391 98 GLN HB3 H 1.895 0.02 2 932 391 98 GLN HB2 H 2.053 0.02 2 933 391 98 GLN CG C 33.933 0.06 1 934 391 98 GLN HG3 H 2.277 0.02 2 935 391 98 GLN HG2 H 2.385 0.02 2 936 391 98 GLN CD C 179.934 0.06 1 937 391 98 GLN NE2 N 112.094 0.05 1 938 391 98 GLN HE21 H 6.626 0.02 2 939 391 98 GLN HE22 H 7.738 0.02 2 940 391 98 GLN C C 175.562 0.06 1 941 392 99 TRP N N 124.892 0.05 1 942 392 99 TRP H H 9.004 0.02 1 943 392 99 TRP CA C 57.221 0.06 1 944 392 99 TRP HA H 4.784 0.02 1 945 392 99 TRP CB C 33.211 0.06 1 946 392 99 TRP HB3 H 2.686 0.02 2 947 392 99 TRP HB2 H 2.972 0.02 2 948 392 99 TRP NE1 N 129.112 0.05 1 949 392 99 TRP HE1 H 10.084 0.02 2 950 392 99 TRP C C 173.150 0.06 1 951 393 100 PHE N N 130.416 0.05 1 952 393 100 PHE H H 7.785 0.02 1 953 393 100 PHE CA C 56.495 0.06 1 954 393 100 PHE HA H 4.774 0.02 1 955 393 100 PHE CB C 38.916 0.06 1 956 393 100 PHE HB3 H 2.507 0.02 2 957 393 100 PHE HB2 H 2.725 0.02 2 958 393 100 PHE CD1 C 128.510 0.06 1 959 393 100 PHE HD1 H 6.930 0.02 1 960 393 100 PHE CD2 C 128.510 0.06 1 961 393 100 PHE HD2 H 6.930 0.02 1 962 393 100 PHE C C 173.045 0.06 1 963 394 101 GLN N N 128.828 0.05 1 964 394 101 GLN H H 8.401 0.02 1 965 394 101 GLN CA C 52.945 0.06 1 966 394 101 GLN HA H 4.245 0.02 1 967 394 101 GLN CB C 29.575 0.06 1 968 394 101 GLN HB3 H 1.710 0.02 2 969 394 101 GLN HB2 H 2.009 0.02 2 970 394 101 GLN CG C 32.485 0.06 1 971 394 101 GLN HG3 H 2.104 0.02 2 972 394 101 GLN HG2 H 2.300 0.02 2 973 394 101 GLN NE2 N 116.534 0.05 1 974 394 101 GLN HE21 H 7.181 0.02 2 975 394 101 GLN HE22 H 7.558 0.02 2 976 394 101 GLN C C 174.734 0.06 1 977 395 102 LYS N N 129.603 0.05 1 978 395 102 LYS H H 8.621 0.02 1 979 395 102 LYS CA C 56.776 0.06 1 980 395 102 LYS HA H 4.112 0.02 1 981 395 102 LYS CB C 33.100 0.06 1 982 395 102 LYS HB2 H 1.856 0.02 2 983 395 102 LYS CG C 24.370 0.06 1 984 395 102 LYS HG2 H 1.456 0.02 2 985 395 102 LYS CD C 29.373 0.06 1 986 395 102 LYS HD2 H 1.706 0.02 2 987 395 102 LYS CE C 41.921 0.06 1 988 395 102 LYS HE2 H 3.010 0.02 2 989 395 102 LYS C C 175.987 0.06 1 990 396 103 GLY N N 108.239 0.05 1 991 396 103 GLY H H 8.356 0.02 1 992 396 103 GLY CA C 44.726 0.06 1 993 396 103 GLY HA2 H 4.027 0.02 2 994 396 103 GLY C C 173.579 0.06 1 995 397 104 SER N N 115.350 0.05 1 996 397 104 SER H H 8.401 0.02 1 997 397 104 SER CA C 58.185 0.06 1 998 397 104 SER HA H 4.513 0.02 1 999 397 104 SER CB C 64.087 0.06 1 1000 397 104 SER HB2 H 3.853 0.02 2 1001 397 104 SER C C 174.873 0.06 1 1002 398 105 SER N N 118.761 0.05 1 1003 398 105 SER H H 8.666 0.02 1 1004 398 105 SER CA C 58.471 0.06 1 1005 398 105 SER HA H 4.493 0.02 1 1006 398 105 SER CB C 63.772 0.06 1 1007 398 105 SER HB2 H 3.873 0.02 2 1008 398 105 SER C C 174.491 0.06 1 1009 399 106 ILE N N 121.955 0.05 1 1010 399 106 ILE H H 8.117 0.02 1 1011 399 106 ILE CA C 61.438 0.06 1 1012 399 106 ILE HA H 4.192 0.02 1 1013 399 106 ILE CB C 38.644 0.06 1 1014 399 106 ILE HB H 1.874 0.02 1 1015 399 106 ILE CG1 C 27.305 0.06 2 1016 399 106 ILE HG13 H 1.181 0.02 2 1017 399 106 ILE HG12 H 1.448 0.02 2 1018 399 106 ILE CD1 C 12.952 0.06 1 1019 399 106 ILE HD1 H 0.888 0.02 1 1020 399 106 ILE CG2 C 17.400 0.06 2 1021 399 106 ILE HG2 H 0.902 0.02 1 1022 399 106 ILE C C 176.729 0.06 1 1023 400 107 GLY N N 113.312 0.05 1 1024 400 107 GLY H H 8.455 0.02 1 1025 400 107 GLY CA C 45.480 0.06 1 1026 400 107 GLY HA2 H 3.923 0.02 2 1027 400 107 GLY C C 173.171 0.06 1 1028 401 108 ARG N N 125.644 0.05 1 1029 401 108 ARG H H 7.768 0.02 1 1030 401 108 ARG CA C 57.365 0.06 1 1031 401 108 ARG CB C 31.669 0.06 1 1032 401 108 ARG CG C 27.314 0.06 1 1033 401 108 ARG CD C 43.634 0.06 1 1034 401 108 ARG NE N 85.220 0.05 1 1035 401 108 ARG HE H 7.169 0.02 1 1036 401 108 ARG CZ C 159.570 0.06 1 stop_ save_