data_27634 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments of the C-terminal region of the Menangle virus Phosphoprotein ; _BMRB_accession_number 27634 _BMRB_flat_file_name bmr27634.str _Entry_type original _Submission_date 2018-10-01 _Accession_date 2018-10-01 _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 Kingston Richard L. . 2 Herr Nicole . . 3 Webby Melissa N. . 4 Bulloch Esther M.M. . 5 Schmitz Michael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 715 "13C chemical shifts" 513 "15N chemical shifts" 127 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-09-12 original BMRB . stop_ _Original_release_date 2018-10-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR chemical shift assignment of the C-terminal region of the Menangle virus phosphoprotein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30680534 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Herr Nicole . . 2 Webby Melissa N. . 3 Bulloch Esther M.M. . 4 Schmitz Michael . . 5 Kingston Richard L. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 13 _Journal_issue 1 _Journal_ISSN 1874-270X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 195 _Page_last 199 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Menangle virus Phosphoprotein, C-terminal region' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Menangle virus Phosphoprotein, C-terminal region' $MenV_P_267_388 stop_ _System_molecular_weight 13137.174 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MenV_P_267_388 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MenV_P_267_388 _Molecular_mass 13137.174 _Mol_thiol_state 'not present' loop_ _Biological_function 'viral protein' stop_ _Details 'MenV P amino acids 267 - 388' ############################## # Polymer residue sequence # ############################## _Residue_count 122 _Mol_residue_sequence ; TTIKIMDPGVGDGATAAKSK RLFKEAPVVVSGPVIGDNPI VDADTIQLDELARPSLPKTK SQKSSAASPAALSGYKMTLL ALIKESIPNQAKRQKFEMQV GGIRNEQDFKNLRREIIRSA AQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 267 THR 2 268 THR 3 269 ILE 4 270 LYS 5 271 ILE 6 272 MET 7 273 ASP 8 274 PRO 9 275 GLY 10 276 VAL 11 277 GLY 12 278 ASP 13 279 GLY 14 280 ALA 15 281 THR 16 282 ALA 17 283 ALA 18 284 LYS 19 285 SER 20 286 LYS 21 287 ARG 22 288 LEU 23 289 PHE 24 290 LYS 25 291 GLU 26 292 ALA 27 293 PRO 28 294 VAL 29 295 VAL 30 296 VAL 31 297 SER 32 298 GLY 33 299 PRO 34 300 VAL 35 301 ILE 36 302 GLY 37 303 ASP 38 304 ASN 39 305 PRO 40 306 ILE 41 307 VAL 42 308 ASP 43 309 ALA 44 310 ASP 45 311 THR 46 312 ILE 47 313 GLN 48 314 LEU 49 315 ASP 50 316 GLU 51 317 LEU 52 318 ALA 53 319 ARG 54 320 PRO 55 321 SER 56 322 LEU 57 323 PRO 58 324 LYS 59 325 THR 60 326 LYS 61 327 SER 62 328 GLN 63 329 LYS 64 330 SER 65 331 SER 66 332 ALA 67 333 ALA 68 334 SER 69 335 PRO 70 336 ALA 71 337 ALA 72 338 LEU 73 339 SER 74 340 GLY 75 341 TYR 76 342 LYS 77 343 MET 78 344 THR 79 345 LEU 80 346 LEU 81 347 ALA 82 348 LEU 83 349 ILE 84 350 LYS 85 351 GLU 86 352 SER 87 353 ILE 88 354 PRO 89 355 ASN 90 356 GLN 91 357 ALA 92 358 LYS 93 359 ARG 94 360 GLN 95 361 LYS 96 362 PHE 97 363 GLU 98 364 MET 99 365 GLN 100 366 VAL 101 367 GLY 102 368 GLY 103 369 ILE 104 370 ARG 105 371 ASN 106 372 GLU 107 373 GLN 108 374 ASP 109 375 PHE 110 376 LYS 111 377 ASN 112 378 LEU 113 379 ARG 114 380 ARG 115 381 GLU 116 382 ILE 117 383 ILE 118 384 ARG 119 385 SER 120 386 ALA 121 387 ALA 122 388 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 GenBank AF326114 . . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MenV_P_267_388 'Menangle rubulavirus' 1979164 Viruses . Menangle rubulavirus 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 $MenV_P_267_388 'recombinant technology' . Escherichia coli . pMW591 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '17.1 mM sodium phosphate, pH 7.0, 42.8 mM sodium chloride 0.43 mM sodium azide, 0.1 mM DSS' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $MenV_P_267_388 . mM 0.7 1.2 '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 17.1 mM . . 'natural abundance' 'sodium chloride' 42.8 mM . . 'natural abundance' 'sodium azide' 0.43 mM . . 'natural abundance' DSS 0.1 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.4 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'chemical shift assignment' collection stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ save_Biospin _Saveframe_category software _Name Biospin _Version 2.4 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task 'chemical shift assignment' collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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 $sample_1 save_ save_2D_(CT)_HC-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (CT) HC-HSQC' _Sample_label $sample_1 save_ save_2D_fHSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D fHSQC' _Sample_label $sample_1 save_ save_3D_15N-edited_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited NOESY' _Sample_label $sample_1 save_ save_3D_15N-edited_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited TOCSY' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCACO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_(C)(CO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (C)(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HBHACONH_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHACONH' _Sample_label $sample_1 save_ save_3D_(H)N(COCA)NH_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)N(COCA)NH' _Sample_label $sample_1 save_ save_3D_HHC-NOESY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HHC-NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCD)HD_20 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCDCE)HE_21 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCDCE)HE' _Sample_label $sample_1 save_ save_2D_H2(C)N_22 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H2(C)N' _Sample_label $sample_1 save_ save_3D_HNHA_23 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HNHB_24 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 42.8 . mM pH 7.0 . pH pressure 1 . atm temperature 283.15 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CcpNmr_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D (CT) HC-HSQC' '2D fHSQC' '3D 15N-edited NOESY' '3D 15N-edited TOCSY' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HNCACO' '3D HN(CA)CO' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D (C)(CO)NH' '3D H(CCO)NH' '3D HBHACONH' '3D (H)N(COCA)NH' '3D HHC-NOESY' '3D HCCH-TOCSY' '3D HCCH-COSY' '2D (HB)CB(CGCD)HD' '2D (HB)CB(CGCDCE)HE' '2D H2(C)N' '3D HNHA' '3D HNHB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Menangle virus Phosphoprotein, C-terminal region' _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 1 268 2 THR HA H 4.385 0.002 1 2 268 2 THR HB H 4.13 . 1 3 268 2 THR HG2 H 1.202 . 1 4 268 2 THR C C 174.103 . 1 5 268 2 THR CA C 62.16 0.039 1 6 268 2 THR CB C 69.892 . 1 7 268 2 THR CG2 C 21.791 . 1 8 269 3 ILE H H 8.466 0.011 1 9 269 3 ILE HA H 4.137 0.006 1 10 269 3 ILE HB H 1.821 0.006 1 11 269 3 ILE HG12 H 1.182 0.005 2 12 269 3 ILE HG13 H 1.489 0.007 2 13 269 3 ILE HG2 H 0.876 0.009 1 14 269 3 ILE HD1 H 0.878 0.01 1 15 269 3 ILE C C 175.777 0.002 1 16 269 3 ILE CA C 61.043 0.007 1 17 269 3 ILE CB C 38.527 0.013 1 18 269 3 ILE CG1 C 27.286 . 1 19 269 3 ILE CG2 C 17.404 . 1 20 269 3 ILE CD1 C 12.645 . 1 21 269 3 ILE N N 125.571 0.005 1 22 270 4 LYS H H 8.528 0.004 1 23 270 4 LYS HA H 4.341 0.005 1 24 270 4 LYS HB2 H 1.732 0.011 2 25 270 4 LYS HB3 H 1.732 0.011 2 26 270 4 LYS HG2 H 1.38 0.008 2 27 270 4 LYS HG3 H 1.38 0.008 2 28 270 4 LYS HD2 H 1.69 . 2 29 270 4 LYS HD3 H 1.69 . 2 30 270 4 LYS HE2 H 2.988 0.005 2 31 270 4 LYS HE3 H 2.988 0.005 2 32 270 4 LYS C C 176.004 0.003 1 33 270 4 LYS CA C 55.997 0.005 1 34 270 4 LYS CB C 33.238 0.02 1 35 270 4 LYS CG C 24.741 . 1 36 270 4 LYS CD C 29.055 . 1 37 270 4 LYS CE C 42.159 . 1 38 270 4 LYS N N 127.372 0.002 1 39 271 5 ILE H H 8.409 0.003 1 40 271 5 ILE HA H 4.116 0.003 1 41 271 5 ILE HB H 1.829 0.001 1 42 271 5 ILE HG12 H 1.497 0.011 2 43 271 5 ILE HG13 H 1.194 . 2 44 271 5 ILE HG2 H 0.889 0.01 1 45 271 5 ILE HD1 H 0.889 0.011 1 46 271 5 ILE C C 176.164 0.005 1 47 271 5 ILE CA C 60.842 0.005 1 48 271 5 ILE CB C 38.516 0.011 1 49 271 5 ILE CG1 C 27.235 . 1 50 271 5 ILE CG2 C 17.501 . 1 51 271 5 ILE CD1 C 12.545 . 1 52 271 5 ILE N N 124.48 0.002 1 53 272 6 MET H H 8.597 0.002 1 54 272 6 MET HA H 4.478 0.007 1 55 272 6 MET HB2 H 2.009 0.008 1 56 272 6 MET HB3 H 2.009 0.008 1 57 272 6 MET HG2 H 2.55 0.009 1 58 272 6 MET HG3 H 2.55 0.009 1 59 272 6 MET C C 175.488 0.004 1 60 272 6 MET CA C 54.959 0.006 1 61 272 6 MET CB C 32.829 0.077 1 62 272 6 MET CG C 31.852 . 1 63 272 6 MET N N 125.809 0.013 1 64 273 7 ASP H H 8.488 0.002 1 65 273 7 ASP HA H 4.864 0.003 1 66 273 7 ASP HB2 H 2.761 0.009 2 67 273 7 ASP HB3 H 2.538 0.009 2 68 273 7 ASP C C 174.724 . 1 69 273 7 ASP CA C 52.173 . 1 70 273 7 ASP CB C 41.291 . 1 71 273 7 ASP N N 123.964 0.073 1 72 274 8 PRO HA H 4.425 . 1 73 274 8 PRO HB2 H 2.278 0.005 2 74 274 8 PRO HB3 H 2.013 0.014 2 75 274 8 PRO HG2 H 1.997 0.001 2 76 274 8 PRO HG3 H 2.031 0.002 2 77 274 8 PRO HD2 H 3.843 . 2 78 274 8 PRO HD3 H 3.843 . 2 79 274 8 PRO C C 177.64 . 1 80 274 8 PRO CA C 63.601 0 1 81 274 8 PRO CB C 32.097 . 1 82 274 8 PRO CG C 27.04 0 1 83 274 8 PRO CD C 50.815 . 1 84 275 9 GLY H H 8.632 0.001 1 85 275 9 GLY HA2 H 3.947 0.009 1 86 275 9 GLY HA3 H 3.947 0.009 1 87 275 9 GLY C C 174.453 0.011 1 88 275 9 GLY CA C 45.332 0.005 1 89 275 9 GLY N N 109.017 0.017 1 90 276 10 VAL H H 7.99 0.004 1 91 276 10 VAL HA H 4.159 0.002 1 92 276 10 VAL HB H 2.142 0.007 1 93 276 10 VAL HG1 H 0.948 0.003 2 94 276 10 VAL HG2 H 0.948 0.003 2 95 276 10 VAL C C 176.961 0.006 1 96 276 10 VAL CA C 62.493 0.016 1 97 276 10 VAL CB C 32.621 0.006 1 98 276 10 VAL CG1 C 20.316 . 2 99 276 10 VAL CG2 C 21.167 . 2 100 276 10 VAL N N 118.729 0.002 1 101 277 11 GLY H H 8.56 0.001 1 102 277 11 GLY HA2 H 3.987 0.002 2 103 277 11 GLY HA3 H 3.987 0.002 2 104 277 11 GLY C C 174.194 0.008 1 105 277 11 GLY CA C 45.288 0.003 1 106 277 11 GLY N N 112.169 0.002 1 107 278 12 ASP H H 8.372 0.002 1 108 278 12 ASP HA H 4.604 0.009 1 109 278 12 ASP HB2 H 2.699 0.003 2 110 278 12 ASP HB3 H 2.699 0.003 2 111 278 12 ASP C C 177.229 0.007 1 112 278 12 ASP CA C 54.498 0.015 1 113 278 12 ASP CB C 41.156 0.039 1 114 278 12 ASP N N 120.873 0.007 1 115 279 13 GLY H H 8.58 0.003 1 116 279 13 GLY HA2 H 3.948 0.007 1 117 279 13 GLY HA3 H 3.948 0.007 1 118 279 13 GLY C C 174.617 0.001 1 119 279 13 GLY CA C 45.681 0.021 1 120 279 13 GLY N N 109.676 0.005 1 121 280 14 ALA H H 8.277 0.002 1 122 280 14 ALA HA H 4.343 0.009 1 123 280 14 ALA HB H 1.417 0.007 1 124 280 14 ALA C C 178.62 0.004 1 125 280 14 ALA CA C 53.135 0.011 1 126 280 14 ALA CB C 19.178 0.011 1 127 280 14 ALA N N 123.887 0.001 1 128 281 15 THR H H 8.191 0.008 1 129 281 15 THR HA H 4.255 0.01 1 130 281 15 THR HB H 4.259 . 1 131 281 15 THR HG2 H 1.227 0.007 1 132 281 15 THR C C 174.861 0.003 1 133 281 15 THR CA C 62.488 0.01 1 134 281 15 THR CB C 69.471 0.011 1 135 281 15 THR CG2 C 21.713 . 1 136 281 15 THR N N 113.481 0.042 1 137 282 16 ALA H H 8.317 0.008 1 138 282 16 ALA HA H 4.269 0.011 1 139 282 16 ALA HB H 1.397 0.007 1 140 282 16 ALA C C 177.984 0.008 1 141 282 16 ALA CA C 52.931 0.009 1 142 282 16 ALA CB C 19.018 0.024 1 143 282 16 ALA N N 126.514 0.009 1 144 283 17 ALA H H 8.3 0.003 1 145 283 17 ALA HA H 4.248 0.015 1 146 283 17 ALA HB H 1.4 0.002 1 147 283 17 ALA C C 178.388 0.001 1 148 283 17 ALA CA C 52.95 0.032 1 149 283 17 ALA CB C 18.97 0.02 1 150 283 17 ALA N N 123.026 0.002 1 151 284 18 LYS H H 8.295 0.011 1 152 284 18 LYS HA H 4.265 0.007 1 153 284 18 LYS HB2 H 1.853 0.007 2 154 284 18 LYS HB3 H 1.853 0.007 2 155 284 18 LYS HG2 H 1.456 0 2 156 284 18 LYS HG3 H 0.92 . 2 157 284 18 LYS HD2 H 1.694 . 2 158 284 18 LYS HD3 H 1.694 . 2 159 284 18 LYS HE2 H 2.998 0.01 2 160 284 18 LYS HE3 H 2.998 0.01 2 161 284 18 LYS C C 177.093 0.006 1 162 284 18 LYS CA C 56.758 0.01 1 163 284 18 LYS CB C 32.909 0.013 1 164 284 18 LYS CG C 24.846 . 1 165 284 18 LYS CD C 29.109 . 1 166 284 18 LYS CE C 42.135 . 1 167 284 18 LYS N N 120.318 0.002 1 168 285 19 SER H H 8.293 0.002 1 169 285 19 SER HA H 4.325 0.009 1 170 285 19 SER HB2 H 3.887 . 2 171 285 19 SER HB3 H 3.887 . 2 172 285 19 SER C C 174.805 0.003 1 173 285 19 SER CA C 58.729 0.022 1 174 285 19 SER CB C 63.631 0.068 1 175 285 19 SER N N 116.578 0.004 1 176 286 20 LYS H H 8.399 0.005 1 177 286 20 LYS HA H 4.272 0.018 1 178 286 20 LYS HB2 H 1.773 . 2 179 286 20 LYS HB3 H 1.849 . 2 180 286 20 LYS HG2 H 1.448 . 2 181 286 20 LYS HG3 H 1.448 . 2 182 286 20 LYS HD2 H 1.695 . 2 183 286 20 LYS HD3 H 1.695 . 2 184 286 20 LYS HE2 H 2.975 . 2 185 286 20 LYS HE3 H 2.975 . 2 186 286 20 LYS C C 176.632 0.002 1 187 286 20 LYS CA C 56.61 0.014 1 188 286 20 LYS CB C 32.903 0.007 1 189 286 20 LYS CG C 24.839 . 1 190 286 20 LYS CD C 29.096 . 1 191 286 20 LYS CE C 42.082 . 1 192 286 20 LYS N N 123.566 0.001 1 193 287 21 ARG H H 8.316 0.016 1 194 287 21 ARG HA H 4.254 0.01 1 195 287 21 ARG HB2 H 1.773 0.04 2 196 287 21 ARG HB3 H 1.773 0.04 2 197 287 21 ARG HG2 H 1.564 0.005 2 198 287 21 ARG HG3 H 1.564 0.005 2 199 287 21 ARG HD2 H 3.175 0.009 2 200 287 21 ARG HD3 H 3.175 0.009 2 201 287 21 ARG HE H 7.508 . 1 202 287 21 ARG C C 176.07 0.002 1 203 287 21 ARG CA C 56.318 0.038 1 204 287 21 ARG CB C 30.683 0.029 1 205 287 21 ARG CG C 27.092 . 1 206 287 21 ARG CD C 43.374 . 1 207 287 21 ARG N N 122.162 0.023 1 208 287 21 ARG NE N 84.495 . 1 209 288 22 LEU H H 8.298 0.006 1 210 288 22 LEU HA H 4.288 0.016 1 211 288 22 LEU HB2 H 1.425 0.018 2 212 288 22 LEU HB3 H 1.566 0.005 2 213 288 22 LEU HD1 H 0.865 0.002 2 214 288 22 LEU HD2 H 0.865 0.002 2 215 288 22 LEU C C 176.899 0.005 1 216 288 22 LEU CA C 55.028 0.02 1 217 288 22 LEU CB C 42.309 0.019 1 218 288 22 LEU CG C 26.9 . 1 219 288 22 LEU CD1 C 24.82 . 2 220 288 22 LEU CD2 C 23.326 . 2 221 288 22 LEU N N 123.4 0.004 1 222 289 23 PHE H H 8.26 0.003 1 223 289 23 PHE HA H 4.6 0.012 1 224 289 23 PHE HB2 H 3.05 0.001 2 225 289 23 PHE HB3 H 3.048 . 2 226 289 23 PHE HD1 H 7.229 0.002 3 227 289 23 PHE HD2 H 7.229 0.002 3 228 289 23 PHE HE1 H 7.331 0 3 229 289 23 PHE HE2 H 7.331 0 3 230 289 23 PHE C C 175.308 0 1 231 289 23 PHE CA C 57.648 . 1 232 289 23 PHE CB C 39.775 0.011 1 233 289 23 PHE CD1 C 131.906 . 3 234 289 23 PHE CD2 C 131.906 . 3 235 289 23 PHE CE1 C 131.431 . 3 236 289 23 PHE CE2 C 131.431 . 3 237 289 23 PHE N N 121.272 0.007 1 238 290 24 LYS H H 8.262 0.008 1 239 290 24 LYS HA H 4.328 0.015 1 240 290 24 LYS HB2 H 1.702 0.014 2 241 290 24 LYS HB3 H 1.702 0.014 2 242 290 24 LYS HG2 H 1.388 0.023 2 243 290 24 LYS HG3 H 1.388 0.023 2 244 290 24 LYS HD2 H 1.697 0.012 2 245 290 24 LYS HD3 H 1.697 0.012 2 246 290 24 LYS HE2 H 2.98 0.007 2 247 290 24 LYS HE3 H 2.98 0.007 2 248 290 24 LYS C C 175.849 0.008 1 249 290 24 LYS CA C 56.083 0.036 1 250 290 24 LYS CB C 33.345 0.02 1 251 290 24 LYS CG C 24.642 . 1 252 290 24 LYS CD C 29.092 . 1 253 290 24 LYS CE C 42.078 . 1 254 290 24 LYS N N 123.722 0.005 1 255 291 25 GLU H H 8.439 0.005 1 256 291 25 GLU HA H 4.217 0.012 1 257 291 25 GLU HB2 H 1.918 0.001 2 258 291 25 GLU HB3 H 2.065 0.009 2 259 291 25 GLU HG2 H 2.291 0.015 2 260 291 25 GLU HG3 H 2.291 0.015 2 261 291 25 GLU C C 175.733 0.001 1 262 291 25 GLU CA C 56.218 0 1 263 291 25 GLU CB C 30.428 . 1 264 291 25 GLU N N 122.706 0.002 1 265 292 26 ALA H H 8.473 0.002 1 266 292 26 ALA HA H 4.561 0.007 1 267 292 26 ALA HB H 1.36 0.009 1 268 292 26 ALA C C 175.407 . 1 269 292 26 ALA CA C 50.441 0.022 1 270 292 26 ALA CB C 18.132 . 1 271 292 26 ALA N N 127.196 0.008 1 272 293 27 PRO HA H 4.434 0 1 273 293 27 PRO HB2 H 1.835 0.004 2 274 293 27 PRO HB3 H 2.259 0.013 2 275 293 27 PRO HG2 H 2.004 . 2 276 293 27 PRO HG3 H 2.004 . 2 277 293 27 PRO HD2 H 3.629 . 2 278 293 27 PRO HD3 H 3.783 . 2 279 293 27 PRO C C 176.742 . 1 280 293 27 PRO CA C 62.819 0.046 1 281 293 27 PRO CB C 32.131 0 1 282 293 27 PRO CG C 27.331 . 1 283 293 27 PRO CD C 50.491 . 1 284 294 28 VAL H H 8.378 0.002 1 285 294 28 VAL HA H 4.059 0.003 1 286 294 28 VAL HB H 2.012 0.003 1 287 294 28 VAL HG1 H 0.933 0.015 2 288 294 28 VAL HG2 H 0.933 0.015 2 289 294 28 VAL C C 176.234 0.008 1 290 294 28 VAL CA C 62.314 0.064 1 291 294 28 VAL CB C 32.729 0 1 292 294 28 VAL CG1 C 20.988 . 1 293 294 28 VAL CG2 C 20.988 . 1 294 294 28 VAL N N 121.799 0.001 1 295 295 29 VAL H H 8.454 0.003 1 296 295 29 VAL HA H 4.127 0.008 1 297 295 29 VAL HB H 1.996 0.006 1 298 295 29 VAL HG1 H 0.926 0.019 2 299 295 29 VAL HG2 H 0.926 0.019 2 300 295 29 VAL C C 176.053 0.003 1 301 295 29 VAL CA C 62.129 . 1 302 295 29 VAL CB C 32.88 0 1 303 295 29 VAL CG1 C 20.974 . 1 304 295 29 VAL CG2 C 20.974 . 1 305 295 29 VAL N N 126.238 0.001 1 306 296 30 VAL H H 8.512 0.003 1 307 296 30 VAL HA H 4.161 0.015 1 308 296 30 VAL HB H 2.06 0.012 1 309 296 30 VAL HG1 H 0.925 0.016 2 310 296 30 VAL HG2 H 0.925 0.016 2 311 296 30 VAL C C 176.072 . 1 312 296 30 VAL CA C 62.106 0.047 1 313 296 30 VAL CB C 32.829 . 1 314 296 30 VAL CG1 C 20.828 . 1 315 296 30 VAL CG2 C 20.828 . 1 316 296 30 VAL N N 126.206 0.008 1 317 297 31 SER H H 8.558 0.002 1 318 297 31 SER HA H 4.496 0.007 1 319 297 31 SER HB2 H 3.856 0.005 2 320 297 31 SER HB3 H 3.856 0.005 2 321 297 31 SER HG H 4.954 0.011 1 322 297 31 SER C C 174.435 0.001 1 323 297 31 SER CA C 58.219 0.004 1 324 297 31 SER CB C 63.927 0.068 1 325 297 31 SER N N 120.825 0.007 1 326 298 32 GLY H H 8.359 0.002 1 327 298 32 GLY HA2 H 4.189 0.004 2 328 298 32 GLY HA3 H 4.07 0.005 2 329 298 32 GLY C C 171.43 . 1 330 298 32 GLY CA C 44.539 0.034 1 331 298 32 GLY N N 111.297 0.018 1 332 299 33 PRO HA H 4.458 0.022 1 333 299 33 PRO HB2 H 2.262 . 2 334 299 33 PRO HB3 H 1.858 0 2 335 299 33 PRO HG2 H 1.998 . 2 336 299 33 PRO HG3 H 1.998 . 2 337 299 33 PRO HD2 H 3.611 0.003 2 338 299 33 PRO HD3 H 3.611 0.003 2 339 299 33 PRO C C 176.868 . 1 340 299 33 PRO CA C 62.949 0.059 1 341 299 33 PRO CB C 32.231 0.022 1 342 299 33 PRO CG C 27.154 . 1 343 299 33 PRO CD C 49.748 . 1 344 300 34 VAL H H 8.458 0.002 1 345 300 34 VAL HA H 4.087 0.007 1 346 300 34 VAL HB H 2.018 0.012 1 347 300 34 VAL HG1 H 0.927 0.015 2 348 300 34 VAL HG2 H 0.927 0.015 2 349 300 34 VAL C C 176.472 . 1 350 300 34 VAL CA C 62.335 . 1 351 300 34 VAL CB C 32.588 . 1 352 300 34 VAL CG1 C 20.986 . 1 353 300 34 VAL CG2 C 20.986 . 1 354 300 34 VAL N N 121.551 0.001 1 355 301 35 ILE H H 8.458 0.002 1 356 301 35 ILE HA H 4.141 0.028 1 357 301 35 ILE HB H 1.859 0.006 1 358 301 35 ILE HG12 H 1.218 0.006 2 359 301 35 ILE HG13 H 1.491 0.006 2 360 301 35 ILE HG2 H 0.91 0.011 1 361 301 35 ILE HD1 H 0.915 0.007 1 362 301 35 ILE C C 176.7 0 1 363 301 35 ILE CA C 61.156 0.017 1 364 301 35 ILE CB C 38.458 0.048 1 365 301 35 ILE CG1 C 27.244 . 1 366 301 35 ILE CG2 C 17.39 . 1 367 301 35 ILE CD1 C 12.571 . 1 368 301 35 ILE N N 126.534 0.018 1 369 302 36 GLY H H 8.561 0.002 1 370 302 36 GLY HA2 H 3.961 0.001 2 371 302 36 GLY HA3 H 3.961 0.001 2 372 302 36 GLY C C 173.582 0 1 373 302 36 GLY CA C 44.984 0.039 1 374 302 36 GLY N N 113.735 0.008 1 375 303 37 ASP H H 8.306 0.003 1 376 303 37 ASP HA H 4.589 0.004 1 377 303 37 ASP HB2 H 2.605 0.017 2 378 303 37 ASP HB3 H 2.605 0.017 2 379 303 37 ASP C C 175.814 . 1 380 303 37 ASP CA C 54.21 0.024 1 381 303 37 ASP CB C 41.309 0.002 1 382 303 37 ASP N N 120.446 0.011 1 383 304 38 ASN H H 8.494 0.002 1 384 304 38 ASN HA H 4.968 0.005 1 385 304 38 ASN HB2 H 2.654 0 2 386 304 38 ASN HB3 H 2.805 0.011 2 387 304 38 ASN HD21 H 7.706 . 1 388 304 38 ASN HD22 H 6.987 . 1 389 304 38 ASN C C 172.952 . 1 390 304 38 ASN CA C 51.427 . 1 391 304 38 ASN CB C 38.846 . 1 392 304 38 ASN N N 119.909 0.008 1 393 304 38 ASN ND2 N 113.672 0.005 1 394 305 39 PRO HA H 4.415 0 1 395 305 39 PRO HB2 H 2.259 0 2 396 305 39 PRO HB3 H 1.869 0 2 397 305 39 PRO HG2 H 1.995 . 2 398 305 39 PRO HG3 H 1.995 . 2 399 305 39 PRO HD2 H 3.731 0.007 2 400 305 39 PRO HD3 H 3.731 0.007 2 401 305 39 PRO C C 176.708 . 1 402 305 39 PRO CA C 63.131 0.031 1 403 305 39 PRO CB C 32.124 0.009 1 404 305 39 PRO CG C 27.329 . 1 405 305 39 PRO CD C 50.64 . 1 406 306 40 ILE H H 8.356 0.003 1 407 306 40 ILE HA H 4.115 0.008 1 408 306 40 ILE HB H 1.836 0.007 1 409 306 40 ILE HG12 H 1.22 0.004 2 410 306 40 ILE HG13 H 1.531 0.002 2 411 306 40 ILE HG2 H 0.888 0.009 1 412 306 40 ILE HD1 H 0.888 0.009 1 413 306 40 ILE C C 176.442 0.003 1 414 306 40 ILE CA C 61.163 0.036 1 415 306 40 ILE CB C 38.253 0.011 1 416 306 40 ILE CG1 C 27.405 . 1 417 306 40 ILE CG2 C 17.507 . 1 418 306 40 ILE CD1 C 12.662 . 1 419 306 40 ILE N N 121.874 0.014 1 420 307 41 VAL H H 8.313 0.004 1 421 307 41 VAL HA H 4.132 0.011 1 422 307 41 VAL HB H 2.037 0.008 1 423 307 41 VAL HG1 H 0.901 0.011 2 424 307 41 VAL HG2 H 0.901 0.011 2 425 307 41 VAL C C 175.711 0 1 426 307 41 VAL CA C 61.926 0.031 1 427 307 41 VAL CB C 33.024 0.007 1 428 307 41 VAL CG1 C 20.837 . 1 429 307 41 VAL CG2 C 20.837 . 1 430 307 41 VAL N N 125.537 0.008 1 431 308 42 ASP H H 8.527 0.004 1 432 308 42 ASP HA H 4.577 0.006 1 433 308 42 ASP HB2 H 2.725 0.008 2 434 308 42 ASP HB3 H 2.613 0.008 2 435 308 42 ASP C C 176.176 0.002 1 436 308 42 ASP CA C 54.333 0.058 1 437 308 42 ASP CB C 41.141 0.005 1 438 308 42 ASP N N 125.157 0.012 1 439 309 43 ALA H H 8.448 0.003 1 440 309 43 ALA HA H 4.238 0.009 1 441 309 43 ALA HB H 1.398 0.006 1 442 309 43 ALA C C 177.885 0.003 1 443 309 43 ALA CA C 53.168 0.004 1 444 309 43 ALA CB C 19.327 0.044 1 445 309 43 ALA N N 124.944 0.002 1 446 310 44 ASP H H 8.442 0.001 1 447 310 44 ASP HA H 4.629 0.006 1 448 310 44 ASP HB2 H 2.696 0.004 2 449 310 44 ASP HB3 H 2.696 0.004 2 450 310 44 ASP C C 176.735 0.005 1 451 310 44 ASP CA C 54.771 0.011 1 452 310 44 ASP CB C 40.99 0.016 1 453 310 44 ASP N N 118.743 0.003 1 454 311 45 THR H H 8.033 0.004 1 455 311 45 THR HA H 4.258 0.019 1 456 311 45 THR HB H 4.256 0.014 1 457 311 45 THR HG2 H 1.196 0.005 1 458 311 45 THR C C 174.675 0.001 1 459 311 45 THR CA C 62.498 0.007 1 460 311 45 THR CB C 69.626 0.103 1 461 311 45 THR CG2 C 21.746 . 1 462 311 45 THR N N 114.639 0.004 1 463 312 46 ILE H H 8.152 0.003 1 464 312 46 ILE HA H 4.108 0.004 1 465 312 46 ILE HB H 1.85 0.004 1 466 312 46 ILE HG12 H 1.502 0.011 2 467 312 46 ILE HG13 H 1.188 0.003 2 468 312 46 ILE HG2 H 0.886 0.003 1 469 312 46 ILE HD1 H 0.886 0.004 1 470 312 46 ILE C C 176.157 0.001 1 471 312 46 ILE CA C 61.522 0.029 1 472 312 46 ILE CB C 38.502 0.005 1 473 312 46 ILE CG1 C 27.548 . 1 474 312 46 ILE CG2 C 17.353 . 1 475 312 46 ILE CD1 C 12.852 . 1 476 312 46 ILE N N 124.102 0.023 1 477 313 47 GLN H H 8.543 0.003 1 478 313 47 GLN HA H 4.341 0.005 1 479 313 47 GLN HB2 H 1.978 0.007 2 480 313 47 GLN HB3 H 2.092 0.004 2 481 313 47 GLN HG2 H 2.37 0.006 2 482 313 47 GLN HG3 H 2.37 0.006 2 483 313 47 GLN HE21 H 7.593 . 2 484 313 47 GLN HE22 H 7.201 . 2 485 313 47 GLN C C 175.967 0.004 1 486 313 47 GLN CA C 55.577 0.063 1 487 313 47 GLN CB C 29.282 . 1 488 313 47 GLN CG C 33.822 . 1 489 313 47 GLN N N 125.067 0.006 1 490 313 47 GLN NE2 N 114.914 0.008 1 491 314 48 LEU H H 8.435 0.002 1 492 314 48 LEU HA H 4.317 0.01 1 493 314 48 LEU HB2 H 1.548 0.001 2 494 314 48 LEU HB3 H 1.666 0.001 2 495 314 48 LEU HG H 1.549 0.001 1 496 314 48 LEU HD1 H 0.883 0.009 2 497 314 48 LEU HD2 H 0.883 0.009 2 498 314 48 LEU C C 177.453 0.004 1 499 314 48 LEU CA C 55.473 0.037 1 500 314 48 LEU CB C 42.447 0.006 1 501 314 48 LEU CG C 27.058 . 1 502 314 48 LEU CD1 C 24.961 . 2 503 314 48 LEU CD2 C 23.295 . 2 504 314 48 LEU N N 124.385 0.008 1 505 315 49 ASP H H 8.449 0.001 1 506 315 49 ASP HA H 4.562 0.006 1 507 315 49 ASP HB2 H 2.684 0.002 2 508 315 49 ASP HB3 H 2.684 0.002 2 509 315 49 ASP C C 176.755 0.003 1 510 315 49 ASP CA C 54.517 0.026 1 511 315 49 ASP CB C 41.06 0.006 1 512 315 49 ASP N N 121.264 0.011 1 513 316 50 GLU H H 8.489 0.006 1 514 316 50 GLU HA H 4.174 0.004 1 515 316 50 GLU HB2 H 2.019 0.014 2 516 316 50 GLU HB3 H 2.019 0.014 2 517 316 50 GLU HG2 H 2.269 0.012 2 518 316 50 GLU HG3 H 2.269 0.012 2 519 316 50 GLU C C 176.976 0.004 1 520 316 50 GLU CA C 57.329 0.011 1 521 316 50 GLU CB C 30.083 0.015 1 522 316 50 GLU CG C 36.301 . 1 523 316 50 GLU N N 121.367 0.006 1 524 317 51 LEU H H 8.188 0.004 1 525 317 51 LEU HA H 4.284 0.006 1 526 317 51 LEU HB2 H 1.575 0 2 527 317 51 LEU HB3 H 1.71 0.004 2 528 317 51 LEU HG H 1.614 0 1 529 317 51 LEU HD1 H 0.908 . 2 530 317 51 LEU HD2 H 0.908 . 2 531 317 51 LEU C C 177.338 0.003 1 532 317 51 LEU CA C 55.373 0.037 1 533 317 51 LEU CB C 41.977 0.01 1 534 317 51 LEU CG C 26.974 . 1 535 317 51 LEU CD1 C 24.912 . 2 536 317 51 LEU CD2 C 23.205 . 2 537 317 51 LEU N N 121.283 0.005 1 538 318 52 ALA H H 8.053 0.002 1 539 318 52 ALA HA H 4.278 0.004 1 540 318 52 ALA HB H 1.393 0.004 1 541 318 52 ALA C C 177.451 0.001 1 542 318 52 ALA CA C 52.423 0.005 1 543 318 52 ALA CB C 19.154 . 1 544 318 52 ALA N N 123.489 0.001 1 545 319 53 ARG H H 8.197 0.007 1 546 319 53 ARG HA H 4.288 0.004 1 547 319 53 ARG HB2 H 1.566 . 2 548 319 53 ARG HB3 H 1.566 . 2 549 319 53 ARG HD2 H 3.229 . 2 550 319 53 ARG HD3 H 3.229 . 2 551 319 53 ARG C C 174.18 . 1 552 319 53 ARG CA C 53.971 . 1 553 319 53 ARG CB C 30.107 . 1 554 319 53 ARG N N 121.439 0.006 1 555 320 54 PRO HA H 4.46 0.003 1 556 320 54 PRO HB2 H 1.873 0.015 2 557 320 54 PRO HB3 H 2.313 0.001 2 558 320 54 PRO HG2 H 1.995 0.02 2 559 320 54 PRO HG3 H 1.995 0.02 2 560 320 54 PRO HD2 H 3.778 . 2 561 320 54 PRO HD3 H 3.629 . 2 562 320 54 PRO C C 176.971 . 1 563 320 54 PRO CA C 63.204 0.039 1 564 320 54 PRO CB C 32.156 . 1 565 320 54 PRO CG C 27.489 . 1 566 320 54 PRO CD C 50.62 . 1 567 321 55 SER H H 8.562 0.002 1 568 321 55 SER HA H 4.439 0.009 1 569 321 55 SER HB2 H 3.846 0.003 2 570 321 55 SER HB3 H 3.846 0.003 2 571 321 55 SER HG H 4.952 0.013 1 572 321 55 SER C C 174.256 . 1 573 321 55 SER CA C 58.175 0.016 1 574 321 55 SER CB C 63.776 0.079 1 575 321 55 SER N N 116.842 0.004 1 576 322 56 LEU H H 8.391 0.007 1 577 322 56 LEU HA H 4.652 0.001 1 578 322 56 LEU HB2 H 1.584 0.017 2 579 322 56 LEU HB3 H 1.584 0.017 2 580 322 56 LEU HD1 H 0.943 0.011 2 581 322 56 LEU HD2 H 0.943 0.011 2 582 322 56 LEU C C 175.241 . 1 583 322 56 LEU CA C 53.136 . 1 584 322 56 LEU CB C 41.655 . 1 585 322 56 LEU CD2 C 24.203 . 2 586 322 56 LEU N N 125.7 0.007 1 587 323 57 PRO HA H 4.407 . 1 588 323 57 PRO HB2 H 1.885 . 2 589 323 57 PRO HB3 H 2.309 0.003 2 590 323 57 PRO HG2 H 2.035 . 2 591 323 57 PRO HG3 H 2.035 . 2 592 323 57 PRO HD2 H 3.631 . 2 593 323 57 PRO HD3 H 3.861 . 2 594 323 57 PRO C C 176.987 . 1 595 323 57 PRO CA C 63.029 0.09 1 596 323 57 PRO CB C 32.143 . 1 597 323 57 PRO CG C 27.474 . 1 598 323 57 PRO CD C 50.628 . 1 599 324 58 LYS H H 8.612 0.008 1 600 324 58 LYS HA H 4.366 0.027 1 601 324 58 LYS HB2 H 1.846 0.005 2 602 324 58 LYS HB3 H 1.846 0.005 2 603 324 58 LYS HG2 H 1.495 0.007 2 604 324 58 LYS HG3 H 1.495 0.007 2 605 324 58 LYS HD2 H 1.742 0.02 2 606 324 58 LYS HD3 H 1.742 0.02 2 607 324 58 LYS C C 177.116 0.005 1 608 324 58 LYS CA C 56.363 0.014 1 609 324 58 LYS CB C 33.024 0.011 1 610 324 58 LYS CG C 24.865 . 1 611 324 58 LYS CD C 29.106 . 1 612 324 58 LYS CE C 42.179 . 1 613 324 58 LYS N N 122.173 0.007 1 614 325 59 THR H H 8.275 0.013 1 615 325 59 THR HA H 4.321 0.015 1 616 325 59 THR HB H 4.223 0.014 1 617 325 59 THR HG1 H 4.954 0.018 1 618 325 59 THR HG2 H 1.212 0.012 1 619 325 59 THR C C 174.587 0.007 1 620 325 59 THR CA C 61.787 0.033 1 621 325 59 THR CB C 69.801 0.066 1 622 325 59 THR CG2 C 21.72 . 1 623 325 59 THR N N 116.019 0.001 1 624 326 60 LYS H H 8.564 0.012 1 625 326 60 LYS HA H 4.333 0.02 1 626 326 60 LYS HB2 H 1.773 0.002 2 627 326 60 LYS HB3 H 1.773 0.002 2 628 326 60 LYS HG2 H 1.471 . 2 629 326 60 LYS HG3 H 1.471 . 2 630 326 60 LYS HD2 H 1.686 . 2 631 326 60 LYS HD3 H 1.686 . 2 632 326 60 LYS HE2 H 2.989 . 2 633 326 60 LYS HE3 H 2.989 . 2 634 326 60 LYS C C 176.809 . 1 635 326 60 LYS CA C 56.557 . 1 636 326 60 LYS CB C 33.02 . 1 637 326 60 LYS CG C 24.703 . 1 638 326 60 LYS N N 124.237 0.004 1 639 327 61 SER H H 8.297 0.012 1 640 327 61 SER HA H 4.398 0.021 1 641 327 61 SER HB2 H 3.881 0.007 2 642 327 61 SER HB3 H 3.881 0.007 2 643 327 61 SER HG H 4.928 0.005 1 644 327 61 SER C C 174.751 . 1 645 327 61 SER CA C 58.569 . 1 646 327 61 SER CB C 63.654 0.058 1 647 327 61 SER N N 117.273 0.002 1 648 328 62 GLN H H 8.595 0.002 1 649 328 62 GLN HA H 4.373 0.003 1 650 328 62 GLN HB2 H 1.992 . 2 651 328 62 GLN HB3 H 2.135 . 2 652 328 62 GLN HG2 H 2.393 . 2 653 328 62 GLN HG3 H 2.393 . 2 654 328 62 GLN C C 176.209 0.007 1 655 328 62 GLN CA C 55.934 0.018 1 656 328 62 GLN CB C 29.527 . 1 657 328 62 GLN CG C 33.865 . 1 658 328 62 GLN N N 123.003 0.007 1 659 329 63 LYS H H 8.525 0.003 1 660 329 63 LYS HA H 4.339 . 1 661 329 63 LYS HB2 H 1.818 . 2 662 329 63 LYS HB3 H 1.818 . 2 663 329 63 LYS HG2 H 1.458 . 2 664 329 63 LYS HG3 H 1.458 . 2 665 329 63 LYS HD2 H 1.714 . 2 666 329 63 LYS HD3 H 1.714 . 2 667 329 63 LYS HE2 H 2.995 . 2 668 329 63 LYS HE3 H 2.995 . 2 669 329 63 LYS C C 176.836 0.01 1 670 329 63 LYS CA C 56.64 0.019 1 671 329 63 LYS CB C 33.031 0.031 1 672 329 63 LYS CG C 24.744 . 1 673 329 63 LYS CD C 29.217 . 1 674 329 63 LYS CE C 42.004 . 1 675 329 63 LYS N N 123.088 0.006 1 676 330 64 SER H H 8.535 0.003 1 677 330 64 SER HA H 4.518 0.013 1 678 330 64 SER HB2 H 3.912 0.002 2 679 330 64 SER HB3 H 3.912 0.002 2 680 330 64 SER C C 174.819 . 1 681 330 64 SER CA C 58.375 0.083 1 682 330 64 SER CB C 63.748 0.144 1 683 330 64 SER N N 117.666 0.006 1 684 331 65 SER H H 8.593 0.003 1 685 331 65 SER HA H 4.504 0.003 1 686 331 65 SER HB2 H 3.934 . 2 687 331 65 SER HB3 H 3.934 . 2 688 331 65 SER C C 174.227 . 1 689 331 65 SER CA C 58.492 . 1 690 331 65 SER CB C 63.872 0.045 1 691 331 65 SER N N 118.852 0.007 1 692 332 66 ALA H H 8.457 0.007 1 693 332 66 ALA HA H 4.472 0.011 1 694 332 66 ALA HB H 1.467 0.016 1 695 332 66 ALA C C 177.601 0.007 1 696 332 66 ALA CA C 52.4 0.003 1 697 332 66 ALA CB C 19.755 0.029 1 698 332 66 ALA N N 126.241 0.002 1 699 333 67 ALA H H 8.404 0.005 1 700 333 67 ALA HA H 4.507 0.006 1 701 333 67 ALA HB H 1.518 0.009 1 702 333 67 ALA C C 176.964 0.003 1 703 333 67 ALA CA C 51.677 0.002 1 704 333 67 ALA CB C 20.079 0.014 1 705 333 67 ALA N N 123.636 0.004 1 706 334 68 SER H H 8.599 0.007 1 707 334 68 SER HA H 4.716 0.005 1 708 334 68 SER HB2 H 4.016 0.005 2 709 334 68 SER HB3 H 4.204 0 2 710 334 68 SER HG H 4.934 0.002 1 711 334 68 SER C C 172.927 . 1 712 334 68 SER CA C 56.706 . 1 713 334 68 SER CB C 62.712 . 1 714 334 68 SER N N 117.939 0.003 1 715 335 69 PRO HA H 4.264 0.005 1 716 335 69 PRO HB2 H 2.392 0.006 2 717 335 69 PRO HB3 H 1.966 0.008 2 718 335 69 PRO HD2 H 3.976 . 2 719 335 69 PRO HD3 H 3.976 . 2 720 335 69 PRO C C 179.184 . 1 721 335 69 PRO CA C 65.463 0.064 1 722 335 69 PRO CB C 31.8 0.014 1 723 335 69 PRO CG C 27.808 . 1 724 335 69 PRO CD C 50.341 . 1 725 336 70 ALA H H 8.357 0.007 1 726 336 70 ALA HA H 4.121 0.006 1 727 336 70 ALA HB H 1.348 0.006 1 728 336 70 ALA C C 180.295 0.005 1 729 336 70 ALA CA C 54.583 0.07 1 730 336 70 ALA CB C 18.344 0.043 1 731 336 70 ALA N N 120.5 0.007 1 732 337 71 ALA H H 7.898 0.004 1 733 337 71 ALA HA H 3.762 0.008 1 734 337 71 ALA HB H 1.22 0.004 1 735 337 71 ALA C C 179.666 0.009 1 736 337 71 ALA CA C 54.093 0.061 1 737 337 71 ALA CB C 17.999 0.09 1 738 337 71 ALA N N 122.926 0.006 1 739 338 72 LEU H H 8.315 0.011 1 740 338 72 LEU HA H 3.889 0.009 1 741 338 72 LEU HB2 H 1.569 0.01 2 742 338 72 LEU HB3 H 1.719 0.006 2 743 338 72 LEU HG H 1.578 0.003 1 744 338 72 LEU HD1 H 0.942 0.005 2 745 338 72 LEU HD2 H 0.942 0.005 2 746 338 72 LEU C C 178.661 0.003 1 747 338 72 LEU CA C 57.644 . 1 748 338 72 LEU CB C 41.892 0.041 1 749 338 72 LEU CG C 26.924 . 1 750 338 72 LEU CD1 C 23.855 . 2 751 338 72 LEU CD2 C 23.855 . 2 752 338 72 LEU N N 118.033 0.005 1 753 339 73 SER H H 8.104 0.002 1 754 339 73 SER HA H 4.103 0.007 1 755 339 73 SER HB2 H 3.907 0.011 2 756 339 73 SER HB3 H 3.907 0.011 2 757 339 73 SER C C 177.356 . 1 758 339 73 SER CA C 61.765 0.083 1 759 339 73 SER CB C 62.387 . 1 760 339 73 SER N N 113.446 0.002 1 761 340 74 GLY H H 7.643 0.005 1 762 340 74 GLY HA2 H 3.747 0.011 2 763 340 74 GLY HA3 H 3.872 0.018 2 764 340 74 GLY C C 176.694 . 1 765 340 74 GLY CA C 47.162 0.044 1 766 340 74 GLY N N 108.888 0.01 1 767 341 75 TYR H H 7.973 0.004 1 768 341 75 TYR HA H 4.112 0.009 1 769 341 75 TYR HB2 H 2.889 0.007 2 770 341 75 TYR HB3 H 3.12 0.006 2 771 341 75 TYR HD1 H 6.902 . 1 772 341 75 TYR HD2 H 6.902 . 1 773 341 75 TYR HE1 H 6.223 0 1 774 341 75 TYR HE2 H 6.223 0 1 775 341 75 TYR C C 178.869 0.001 1 776 341 75 TYR CA C 57.993 0.042 1 777 341 75 TYR CB C 37.72 0.1 1 778 341 75 TYR CD1 C 132.293 . 1 779 341 75 TYR CD2 C 132.293 . 1 780 341 75 TYR CE1 C 116.772 0.001 1 781 341 75 TYR CE2 C 116.772 0.001 1 782 341 75 TYR N N 122.912 0.022 1 783 342 76 LYS H H 8.246 0.006 1 784 342 76 LYS HA H 3.904 0.007 1 785 342 76 LYS HB2 H 1.756 . 2 786 342 76 LYS HB3 H 1.756 . 2 787 342 76 LYS HG2 H 1.462 0.015 2 788 342 76 LYS HG3 H 1.462 0.015 2 789 342 76 LYS HD2 H 1.756 . 2 790 342 76 LYS HD3 H 1.756 . 2 791 342 76 LYS HE2 H 2.976 . 2 792 342 76 LYS HE3 H 2.976 . 2 793 342 76 LYS C C 178.275 0.003 1 794 342 76 LYS CA C 60.988 0.013 1 795 342 76 LYS CB C 32.614 0.04 1 796 342 76 LYS CG C 26.701 . 1 797 342 76 LYS CD C 30.359 . 1 798 342 76 LYS N N 117.757 0.004 1 799 343 77 MET H H 8.281 0.005 1 800 343 77 MET HA H 4.156 0.011 1 801 343 77 MET HB2 H 2.272 0.006 1 802 343 77 MET HB3 H 2.272 0.006 1 803 343 77 MET HG2 H 2.697 0.014 2 804 343 77 MET HG3 H 2.769 0.001 2 805 343 77 MET HE H 2.074 . 1 806 343 77 MET C C 180.136 0.01 1 807 343 77 MET CA C 59.156 0.032 1 808 343 77 MET CB C 32.107 0.103 1 809 343 77 MET CE C 16.888 . 1 810 343 77 MET N N 117.27 0.007 1 811 344 78 THR H H 8.556 0.003 1 812 344 78 THR HA H 4.014 0.035 1 813 344 78 THR HB H 4.195 0.048 1 814 344 78 THR HG1 H 4.615 0.005 1 815 344 78 THR HG2 H 1.478 0.008 1 816 344 78 THR C C 177.549 . 1 817 344 78 THR CA C 66.971 0.043 1 818 344 78 THR CB C 68.655 0.12 1 819 344 78 THR CG2 C 21.537 . 1 820 344 78 THR N N 118.463 0.002 1 821 345 79 LEU H H 8.35 0.01 1 822 345 79 LEU HA H 4.159 0.009 1 823 345 79 LEU HB2 H 1.204 0.013 2 824 345 79 LEU HB3 H 1.204 0.013 2 825 345 79 LEU HG H 1.19 0.002 1 826 345 79 LEU HD1 H 0.681 0.007 2 827 345 79 LEU HD2 H 0.681 0.007 2 828 345 79 LEU C C 178.687 0.005 1 829 345 79 LEU CA C 58.04 0.012 1 830 345 79 LEU CB C 42.331 0.036 1 831 345 79 LEU CG C 27.976 . 1 832 345 79 LEU CD2 C 21.738 . 2 833 345 79 LEU N N 121.068 0.012 1 834 346 80 LEU H H 8.828 0.002 1 835 346 80 LEU HA H 4.113 0.025 1 836 346 80 LEU HB2 H 1.552 0.003 2 837 346 80 LEU HB3 H 1.986 0.022 2 838 346 80 LEU HG H 0.96 0.004 1 839 346 80 LEU HD1 H 0.96 0.004 2 840 346 80 LEU HD2 H 1.155 0.001 2 841 346 80 LEU C C 179.833 0.003 1 842 346 80 LEU CA C 58.897 0.017 1 843 346 80 LEU CB C 40.817 0.028 1 844 346 80 LEU CG C 25.102 . 1 845 346 80 LEU CD1 C 22.506 . 2 846 346 80 LEU CD2 C 22.506 . 2 847 346 80 LEU N N 119.759 0.008 1 848 347 81 ALA H H 7.836 0.004 1 849 347 81 ALA HA H 4.211 0.012 1 850 347 81 ALA HB H 1.542 0.009 1 851 347 81 ALA C C 179.706 0.003 1 852 347 81 ALA CA C 55.124 0.038 1 853 347 81 ALA CB C 17.865 0.025 1 854 347 81 ALA N N 121.81 0.011 1 855 348 82 LEU H H 7.829 0.004 1 856 348 82 LEU HA H 4.253 0.018 1 857 348 82 LEU HB2 H 1.729 0.003 2 858 348 82 LEU HB3 H 2.004 0.017 2 859 348 82 LEU HD1 H 0.842 0.01 2 860 348 82 LEU HD2 H 0.842 0.01 2 861 348 82 LEU C C 180.469 0.003 1 862 348 82 LEU CA C 57.648 0.04 1 863 348 82 LEU CB C 42.517 0.059 1 864 348 82 LEU CG C 26.319 . 1 865 348 82 LEU CD1 C 22.607 . 2 866 348 82 LEU CD2 C 22.607 . 2 867 348 82 LEU N N 120.739 0.005 1 868 349 83 ILE H H 8.759 0.002 1 869 349 83 ILE HA H 3.357 0.005 1 870 349 83 ILE HB H 1.961 0.012 1 871 349 83 ILE HG12 H 1.088 . 1 872 349 83 ILE HG13 H 1.088 . 1 873 349 83 ILE HG2 H 1.084 0.005 1 874 349 83 ILE HD1 H 0.818 0.007 1 875 349 83 ILE C C 176.588 0.007 1 876 349 83 ILE CA C 65.835 0.026 1 877 349 83 ILE CB C 38.865 0.027 1 878 349 83 ILE CG2 C 19.082 . 1 879 349 83 ILE CD1 C 16.338 . 1 880 349 83 ILE N N 121.522 0.003 1 881 350 84 LYS H H 7.627 0.002 1 882 350 84 LYS HA H 3.822 0.006 1 883 350 84 LYS HB2 H 1.973 0.006 2 884 350 84 LYS HB3 H 1.973 0.006 2 885 350 84 LYS HG2 H 1.423 0.003 2 886 350 84 LYS HG3 H 1.541 0.005 2 887 350 84 LYS HD2 H 1.706 0.003 2 888 350 84 LYS HD3 H 1.706 0.003 2 889 350 84 LYS HE2 H 3.004 0.008 2 890 350 84 LYS HE3 H 3.004 0.008 2 891 350 84 LYS C C 178.719 0.004 1 892 350 84 LYS CA C 59.562 0.028 1 893 350 84 LYS CB C 32.299 0.019 1 894 350 84 LYS CG C 25.137 . 1 895 350 84 LYS CD C 29.383 . 1 896 350 84 LYS CE C 42.148 . 1 897 350 84 LYS N N 117.669 0.003 1 898 351 85 GLU H H 7.783 0.002 1 899 351 85 GLU HA H 4.178 0.01 1 900 351 85 GLU HB2 H 2.085 0.005 2 901 351 85 GLU HB3 H 2.085 0.005 2 902 351 85 GLU HG2 H 2.339 0.004 2 903 351 85 GLU HG3 H 2.339 0.004 2 904 351 85 GLU C C 178.432 0.003 1 905 351 85 GLU CA C 57.898 0.011 1 906 351 85 GLU CB C 30.593 0.02 1 907 351 85 GLU CG C 35.974 . 1 908 351 85 GLU N N 114.8 0.011 1 909 352 86 SER H H 7.863 0.005 1 910 352 86 SER HA H 4.659 0.005 1 911 352 86 SER HB2 H 3.771 0.003 2 912 352 86 SER HB3 H 3.771 0.003 2 913 352 86 SER C C 173.238 0.005 1 914 352 86 SER CA C 60.404 0.032 1 915 352 86 SER CB C 65.67 0.072 1 916 352 86 SER N N 110.695 0.002 1 917 353 87 ILE H H 7.918 0.003 1 918 353 87 ILE HA H 4.831 0.012 1 919 353 87 ILE HB H 2.445 0.008 1 920 353 87 ILE HG12 H 1.038 0.002 2 921 353 87 ILE HG13 H 1.038 0.002 2 922 353 87 ILE HG2 H 0.841 0.002 1 923 353 87 ILE C C 174.258 . 1 924 353 87 ILE CA C 56.6 . 1 925 353 87 ILE CB C 36.362 . 1 926 353 87 ILE N N 121.057 0.006 1 927 354 88 PRO HA H 4.454 0.001 1 928 354 88 PRO HB2 H 2.034 0.006 2 929 354 88 PRO HB3 H 2.286 0.009 2 930 354 88 PRO HG2 H 2.037 0.003 2 931 354 88 PRO HG3 H 2.037 0.003 2 932 354 88 PRO C C 177.403 . 1 933 354 88 PRO CA C 64.103 0.033 1 934 354 88 PRO CB C 32.256 . 1 935 354 88 PRO CG C 26.916 . 1 936 354 88 PRO CD C 51.446 . 1 937 355 89 ASN H H 7.676 0.002 1 938 355 89 ASN HA H 4.685 0.003 1 939 355 89 ASN HB2 H 2.727 0.005 2 940 355 89 ASN HB3 H 2.891 0.001 2 941 355 89 ASN HD21 H 8.022 . 1 942 355 89 ASN HD22 H 7.219 . 1 943 355 89 ASN C C 175.291 . 1 944 355 89 ASN CA C 53.902 0.008 1 945 355 89 ASN CB C 40.347 0.015 1 946 355 89 ASN N N 118.317 0.01 1 947 355 89 ASN ND2 N 114.101 0 1 948 356 90 GLN H H 9.182 0.008 1 949 356 90 GLN HA H 3.804 0.001 1 950 356 90 GLN HB2 H 2.117 0.008 2 951 356 90 GLN HB3 H 2.117 0.008 2 952 356 90 GLN HG2 H 2.426 0.007 2 953 356 90 GLN HG3 H 2.426 0.007 2 954 356 90 GLN C C 177.129 . 1 955 356 90 GLN CA C 59.819 0.032 1 956 356 90 GLN CB C 28.444 0.025 1 957 356 90 GLN CG C 33.659 . 1 958 356 90 GLN N N 128.129 0.003 1 959 357 91 ALA H H 8.234 0.004 1 960 357 91 ALA HA H 4.179 0.013 1 961 357 91 ALA HB H 1.46 0.007 1 962 357 91 ALA C C 181.127 0.005 1 963 357 91 ALA CA C 55.203 0.051 1 964 357 91 ALA CB C 17.752 0.028 1 965 357 91 ALA N N 122.293 0.003 1 966 358 92 LYS H H 8.092 0.007 1 967 358 92 LYS HA H 3.94 0.018 1 968 358 92 LYS HB2 H 1.773 0.017 2 969 358 92 LYS HB3 H 1.773 0.017 2 970 358 92 LYS HG2 H 1.458 0.011 2 971 358 92 LYS HG3 H 1.458 0.011 2 972 358 92 LYS HD2 H 1.679 . 2 973 358 92 LYS HD3 H 1.679 . 2 974 358 92 LYS HE2 H 2.929 0.022 2 975 358 92 LYS HE3 H 2.929 0.022 2 976 358 92 LYS C C 178.477 0.002 1 977 358 92 LYS CA C 58.776 0.043 1 978 358 92 LYS CB C 32.541 0.046 1 979 358 92 LYS CG C 25.429 . 1 980 358 92 LYS CD C 29.32 . 1 981 358 92 LYS N N 119.442 0.002 1 982 359 93 ARG H H 8.481 0.002 1 983 359 93 ARG HA H 3.906 0.007 1 984 359 93 ARG HB2 H 1.903 0.019 2 985 359 93 ARG HB3 H 2.081 0 2 986 359 93 ARG HG2 H 1.44 0.002 2 987 359 93 ARG HG3 H 1.44 0.002 2 988 359 93 ARG HD2 H 3.381 0.008 2 989 359 93 ARG HD3 H 3.381 0.008 2 990 359 93 ARG HE H 7.683 . 1 991 359 93 ARG C C 178.151 0.002 1 992 359 93 ARG CA C 60.774 0.029 1 993 359 93 ARG CB C 30.059 0.042 1 994 359 93 ARG CG C 27.258 . 1 995 359 93 ARG CD C 44.442 . 1 996 359 93 ARG N N 119.632 0.021 1 997 359 93 ARG NE N 83.718 . 1 998 360 94 GLN H H 8.232 0.002 1 999 360 94 GLN HA H 4.088 0.022 1 1000 360 94 GLN HB2 H 2.155 0.014 2 1001 360 94 GLN HB3 H 2.155 0.014 2 1002 360 94 GLN HG2 H 2.425 0.004 2 1003 360 94 GLN HG3 H 2.601 0.009 2 1004 360 94 GLN HE21 H 7.62 . 2 1005 360 94 GLN HE22 H 6.941 . 2 1006 360 94 GLN C C 178.528 0.009 1 1007 360 94 GLN CA C 59.372 0.07 1 1008 360 94 GLN CB C 28.237 0.009 1 1009 360 94 GLN CG C 34.271 . 1 1010 360 94 GLN N N 117.626 0.026 1 1011 360 94 GLN NE2 N 112.933 0.003 1 1012 361 95 LYS H H 7.568 0.002 1 1013 361 95 LYS HA H 4.057 0.006 1 1014 361 95 LYS HB2 H 1.733 0.014 2 1015 361 95 LYS HB3 H 1.733 0.014 2 1016 361 95 LYS HG2 H 1.36 0.013 2 1017 361 95 LYS HG3 H 1.36 0.013 2 1018 361 95 LYS HD2 H 1.452 0.016 2 1019 361 95 LYS HD3 H 1.452 0.016 2 1020 361 95 LYS HE2 H 2.732 . 2 1021 361 95 LYS HE3 H 2.732 . 2 1022 361 95 LYS C C 179.703 0.002 1 1023 361 95 LYS CA C 59.465 0.026 1 1024 361 95 LYS CB C 31.81 0.064 1 1025 361 95 LYS CG C 24.619 . 1 1026 361 95 LYS CD C 29.085 . 1 1027 361 95 LYS CE C 41.917 . 1 1028 361 95 LYS N N 119.398 0.009 1 1029 362 96 PHE H H 7.977 0.006 1 1030 362 96 PHE HA H 4.671 0.002 1 1031 362 96 PHE HB2 H 3.009 0.003 2 1032 362 96 PHE HB3 H 3.009 0.003 2 1033 362 96 PHE HD1 H 7.223 0.001 3 1034 362 96 PHE HD2 H 7.223 0.001 3 1035 362 96 PHE HE1 H 7.297 . 3 1036 362 96 PHE HE2 H 7.297 . 3 1037 362 96 PHE C C 178.803 0 1 1038 362 96 PHE CA C 61.026 0.036 1 1039 362 96 PHE CB C 39.219 0.064 1 1040 362 96 PHE CD1 C 129.698 . 3 1041 362 96 PHE CD2 C 129.698 . 3 1042 362 96 PHE CE1 C 131.276 . 3 1043 362 96 PHE CE2 C 131.276 . 3 1044 362 96 PHE N N 117.502 0.007 1 1045 363 97 GLU H H 9.205 0.006 1 1046 363 97 GLU HA H 3.747 0.006 1 1047 363 97 GLU HB2 H 1.986 0.002 2 1048 363 97 GLU HB3 H 2.26 0 2 1049 363 97 GLU HG2 H 2.148 0.02 2 1050 363 97 GLU HG3 H 2.148 0.02 2 1051 363 97 GLU C C 179.975 0.005 1 1052 363 97 GLU CA C 60.7 0.037 1 1053 363 97 GLU CB C 29.171 0.014 1 1054 363 97 GLU CG C 37.85 . 1 1055 363 97 GLU N N 120.256 0.019 1 1056 364 98 MET H H 7.98 0.003 1 1057 364 98 MET HA H 4.293 0.004 1 1058 364 98 MET HB2 H 2.27 0.009 1 1059 364 98 MET HB3 H 2.27 0.009 1 1060 364 98 MET HG2 H 2.65 0.003 2 1061 364 98 MET HG3 H 2.762 0.014 2 1062 364 98 MET HE H 2.098 . 1 1063 364 98 MET C C 179.413 0.003 1 1064 364 98 MET CA C 58.419 0.038 1 1065 364 98 MET CB C 31.968 . 1 1066 364 98 MET CG C 31.968 . 1 1067 364 98 MET CE C 16.85 . 1 1068 364 98 MET N N 118.334 0.013 1 1069 365 99 GLN H H 7.781 0.002 1 1070 365 99 GLN HA H 4.152 0.006 1 1071 365 99 GLN HB2 H 2.519 0.011 2 1072 365 99 GLN HB3 H 2.242 0.013 2 1073 365 99 GLN HG2 H 2.369 0.006 2 1074 365 99 GLN HG3 H 2.638 0.009 2 1075 365 99 GLN HE21 H 7.201 . 2 1076 365 99 GLN HE22 H 6.789 . 2 1077 365 99 GLN C C 179.441 0.018 1 1078 365 99 GLN CA C 58.822 0.011 1 1079 365 99 GLN CB C 29.845 0.02 1 1080 365 99 GLN CG C 35.321 . 1 1081 365 99 GLN N N 119.375 0.004 1 1082 365 99 GLN NE2 N 110.038 0.004 1 1083 366 100 VAL H H 8.279 0.001 1 1084 366 100 VAL HA H 3.433 0.006 1 1085 366 100 VAL HB H 2.373 0.004 1 1086 366 100 VAL HG1 H 1.141 0.007 2 1087 366 100 VAL HG2 H 1.141 0.007 2 1088 366 100 VAL C C 177.062 0.002 1 1089 366 100 VAL CA C 66.88 0.065 1 1090 366 100 VAL CB C 31.625 0.072 1 1091 366 100 VAL CG1 C 25.385 . 2 1092 366 100 VAL CG2 C 22.866 . 2 1093 366 100 VAL N N 122.217 0.009 1 1094 367 101 GLY H H 7.494 0.003 1 1095 367 101 GLY HA2 H 3.943 0.013 1 1096 367 101 GLY HA3 H 3.943 0.013 1 1097 367 101 GLY C C 174.587 0.003 1 1098 367 101 GLY CA C 46.745 0.062 1 1099 367 101 GLY N N 101.884 0.006 1 1100 368 102 GLY H H 7.492 0.002 1 1101 368 102 GLY HA2 H 4.424 0.011 2 1102 368 102 GLY HA3 H 3.746 0.008 2 1103 368 102 GLY C C 175.376 0.002 1 1104 368 102 GLY CA C 44.53 0.043 1 1105 368 102 GLY N N 104.68 0.002 1 1106 369 103 ILE H H 7.326 0.004 1 1107 369 103 ILE HA H 4.222 0.026 1 1108 369 103 ILE HB H 1.991 0.018 1 1109 369 103 ILE HG12 H 1.121 0.009 2 1110 369 103 ILE HG13 H 1.133 0.018 2 1111 369 103 ILE C C 176.658 0 1 1112 369 103 ILE CA C 62.936 0.048 1 1113 369 103 ILE CB C 39.979 0.08 1 1114 369 103 ILE CG2 C 18.352 . 1 1115 369 103 ILE N N 116.162 0.006 1 1116 370 104 ARG H H 9.974 0.003 1 1117 370 104 ARG HA H 4.709 0.007 1 1118 370 104 ARG HB2 H 1.84 0.011 2 1119 370 104 ARG HB3 H 2.018 0.011 2 1120 370 104 ARG HG2 H 1.689 0.009 2 1121 370 104 ARG HG3 H 1.689 0.009 2 1122 370 104 ARG HD2 H 3.256 0.018 2 1123 370 104 ARG HD3 H 3.256 0.018 2 1124 370 104 ARG HE H 7.69 . 1 1125 370 104 ARG C C 176.565 . 1 1126 370 104 ARG CA C 56.101 0.019 1 1127 370 104 ARG CB C 33.225 0.051 1 1128 370 104 ARG CG C 26.616 . 1 1129 370 104 ARG CD C 43.164 . 1 1130 370 104 ARG N N 119.936 0.017 1 1131 370 104 ARG NE N 85.088 . 1 1132 371 105 ASN H H 7.56 0.002 1 1133 371 105 ASN HA H 4.712 0.005 1 1134 371 105 ASN HB2 H 3.243 0.006 2 1135 371 105 ASN HB3 H 3.243 0.006 2 1136 371 105 ASN HD21 H 7.504 . 1 1137 371 105 ASN HD22 H 6.874 . 1 1138 371 105 ASN C C 174.004 0.005 1 1139 371 105 ASN CA C 52.096 0.052 1 1140 371 105 ASN CB C 39.699 0.029 1 1141 371 105 ASN N N 113.157 0.008 1 1142 371 105 ASN ND2 N 113.46 0.001 1 1143 372 106 GLU H H 9.192 0.006 1 1144 372 106 GLU HA H 3.489 0.006 1 1145 372 106 GLU HB2 H 2.066 0.003 2 1146 372 106 GLU HB3 H 2.066 0.003 2 1147 372 106 GLU HG2 H 2.215 0.003 2 1148 372 106 GLU HG3 H 2.215 0.003 2 1149 372 106 GLU C C 177.418 0.007 1 1150 372 106 GLU CA C 59.391 0.058 1 1151 372 106 GLU CB C 29.912 0.078 1 1152 372 106 GLU CG C 36.504 . 1 1153 372 106 GLU N N 119.216 0.009 1 1154 373 107 GLN H H 8.375 0.001 1 1155 373 107 GLN HA H 3.939 0.004 1 1156 373 107 GLN HB2 H 2.129 0.004 2 1157 373 107 GLN HB3 H 2.129 0.004 2 1158 373 107 GLN HG2 H 2.404 0.005 2 1159 373 107 GLN HG3 H 2.404 0.005 2 1160 373 107 GLN HE21 H 7.584 . 2 1161 373 107 GLN HE22 H 6.903 . 2 1162 373 107 GLN C C 178.291 0.002 1 1163 373 107 GLN CA C 59.321 0.042 1 1164 373 107 GLN CB C 27.874 0.02 1 1165 373 107 GLN CG C 34.251 . 1 1166 373 107 GLN N N 121.343 0.004 1 1167 373 107 GLN NE2 N 111.88 0.004 1 1168 374 108 ASP H H 8.854 0.002 1 1169 374 108 ASP HA H 4.45 0.006 1 1170 374 108 ASP HB2 H 2.946 0.026 2 1171 374 108 ASP HB3 H 2.946 0.026 2 1172 374 108 ASP C C 179.793 0.002 1 1173 374 108 ASP CA C 57.067 0.059 1 1174 374 108 ASP CB C 41.351 0.088 1 1175 374 108 ASP N N 119.936 0.004 1 1176 375 109 PHE H H 7.716 0.002 1 1177 375 109 PHE HA H 4.164 0.012 1 1178 375 109 PHE HB2 H 2.629 0.009 2 1179 375 109 PHE HB3 H 3.006 0.006 2 1180 375 109 PHE HD1 H 6.901 . 3 1181 375 109 PHE HD2 H 6.901 . 3 1182 375 109 PHE HE1 H 7.251 0.003 3 1183 375 109 PHE HE2 H 7.251 0.003 3 1184 375 109 PHE C C 175.074 0.004 1 1185 375 109 PHE CA C 60.616 0.035 1 1186 375 109 PHE CB C 38.109 0.038 1 1187 375 109 PHE CD1 C 132.293 . 3 1188 375 109 PHE CD2 C 132.293 . 3 1189 375 109 PHE CE1 C 130.761 . 3 1190 375 109 PHE CE2 C 130.761 . 3 1191 375 109 PHE N N 120.465 0.012 1 1192 376 110 LYS H H 8.61 0.005 1 1193 376 110 LYS HA H 3.249 0.005 1 1194 376 110 LYS HB2 H 1.732 0.002 2 1195 376 110 LYS HB3 H 1.846 0.024 2 1196 376 110 LYS HG2 H 1.295 0.002 2 1197 376 110 LYS HG3 H 1.295 0.002 2 1198 376 110 LYS HD2 H 1.663 . 2 1199 376 110 LYS HD3 H 1.663 . 2 1200 376 110 LYS HE2 H 2.929 . 2 1201 376 110 LYS HE3 H 2.929 . 2 1202 376 110 LYS C C 180.092 0.003 1 1203 376 110 LYS CA C 60.075 0.034 1 1204 376 110 LYS CB C 32.379 0.035 1 1205 376 110 LYS CG C 26.618 . 1 1206 376 110 LYS CD C 29.974 . 1 1207 376 110 LYS CE C 41.938 . 1 1208 376 110 LYS N N 120.334 0.012 1 1209 377 111 ASN H H 8.634 0.002 1 1210 377 111 ASN HA H 4.42 0.014 1 1211 377 111 ASN HB2 H 2.899 0.008 2 1212 377 111 ASN HB3 H 2.899 0.008 2 1213 377 111 ASN HD21 H 7.956 . 1 1214 377 111 ASN HD22 H 7.135 . 1 1215 377 111 ASN C C 177.574 0.006 1 1216 377 111 ASN CA C 55.69 0.03 1 1217 377 111 ASN CB C 37.655 0.017 1 1218 377 111 ASN N N 118.694 0.004 1 1219 377 111 ASN ND2 N 112.655 0.005 1 1220 378 112 LEU H H 8.101 0.008 1 1221 378 112 LEU HA H 4.318 0.003 1 1222 378 112 LEU HB2 H 1.587 0.02 2 1223 378 112 LEU HB3 H 1.738 0.01 2 1224 378 112 LEU HG H 1.558 0.021 1 1225 378 112 LEU HD1 H 0.901 0.013 2 1226 378 112 LEU HD2 H 1.11 0.022 2 1227 378 112 LEU C C 178.168 0.005 1 1228 378 112 LEU CA C 57.274 0.032 1 1229 378 112 LEU CB C 40.979 0.026 1 1230 378 112 LEU CG C 26.903 . 1 1231 378 112 LEU CD1 C 23.461 . 2 1232 378 112 LEU CD2 C 23.461 . 2 1233 378 112 LEU N N 122.651 0.003 1 1234 379 113 ARG H H 8.549 0.004 1 1235 379 113 ARG HA H 3.391 0.006 1 1236 379 113 ARG HB2 H 1.573 0.005 2 1237 379 113 ARG HB3 H 1.573 0.005 2 1238 379 113 ARG HG2 H 1.108 . 2 1239 379 113 ARG HG3 H 1.108 . 2 1240 379 113 ARG HD2 H 2.922 0.005 2 1241 379 113 ARG HD3 H 2.922 0.005 2 1242 379 113 ARG HE H 7.259 . 1 1243 379 113 ARG C C 177.013 0.002 1 1244 379 113 ARG CA C 60.442 0.025 1 1245 379 113 ARG CB C 30.009 0.1 1 1246 379 113 ARG CG C 26.607 . 1 1247 379 113 ARG CD C 43.573 . 1 1248 379 113 ARG N N 119.677 0.01 1 1249 379 113 ARG NE N 83.319 . 1 1250 380 114 ARG H H 7.403 0.007 1 1251 380 114 ARG HA H 3.853 0.015 1 1252 380 114 ARG HB2 H 1.934 0.014 2 1253 380 114 ARG HB3 H 1.934 0.014 2 1254 380 114 ARG HG2 H 1.743 0.011 2 1255 380 114 ARG HG3 H 1.543 0.017 2 1256 380 114 ARG HD2 H 3.228 0.011 2 1257 380 114 ARG HD3 H 3.228 0.011 2 1258 380 114 ARG HE H 7.316 . 1 1259 380 114 ARG C C 178.782 0.004 1 1260 380 114 ARG CA C 59.495 0.03 1 1261 380 114 ARG CB C 30.052 0.029 1 1262 380 114 ARG CG C 27.591 . 1 1263 380 114 ARG CD C 43.477 . 1 1264 380 114 ARG N N 115.658 0.004 1 1265 380 114 ARG NE N 84.572 . 1 1266 381 115 GLU H H 7.516 0.006 1 1267 381 115 GLU HA H 4.1 0.006 1 1268 381 115 GLU HB2 H 2.262 0.006 2 1269 381 115 GLU HB3 H 2.262 0.006 2 1270 381 115 GLU HG2 H 2.499 0.004 1 1271 381 115 GLU HG3 H 2.499 0.004 1 1272 381 115 GLU C C 179.194 0.002 1 1273 381 115 GLU CA C 59.069 0.058 1 1274 381 115 GLU CB C 29.7 0.028 1 1275 381 115 GLU CG C 35.88 . 1 1276 381 115 GLU N N 119.267 0.002 1 1277 382 116 ILE H H 8.336 0.014 1 1278 382 116 ILE HA H 4.28 0.018 1 1279 382 116 ILE HB H 1.817 0.009 1 1280 382 116 ILE HG12 H 0.867 0.016 2 1281 382 116 ILE HG13 H 0.867 0.016 2 1282 382 116 ILE HG2 H 0.752 0.012 1 1283 382 116 ILE HD1 H 0.443 0.004 1 1284 382 116 ILE C C 177.894 0.002 1 1285 382 116 ILE CA C 65.361 0.041 1 1286 382 116 ILE CB C 38.051 0.119 1 1287 382 116 ILE CG1 C 28.889 . 1 1288 382 116 ILE CG2 C 16.888 . 1 1289 382 116 ILE CD1 C 15.96 . 1 1290 382 116 ILE N N 122.496 0.014 1 1291 383 117 ILE H H 8.059 0.007 1 1292 383 117 ILE HA H 3.612 0.005 1 1293 383 117 ILE HB H 1.807 0.022 1 1294 383 117 ILE HG12 H 0.879 . 2 1295 383 117 ILE HG13 H 0.882 0.004 2 1296 383 117 ILE HG2 H 0.863 . 1 1297 383 117 ILE HD1 H 0.879 . 1 1298 383 117 ILE C C 179.389 0 1 1299 383 117 ILE CA C 64.892 0.088 1 1300 383 117 ILE CB C 37.781 0.029 1 1301 383 117 ILE CG1 C 28.889 . 1 1302 383 117 ILE CG2 C 17.703 . 1 1303 383 117 ILE CD1 C 12.835 . 1 1304 383 117 ILE N N 119.536 0.002 1 1305 384 118 ARG H H 8.07 0.007 1 1306 384 118 ARG HA H 4.112 0.009 1 1307 384 118 ARG HB2 H 1.927 0.007 2 1308 384 118 ARG HB3 H 1.927 0.007 2 1309 384 118 ARG HG2 H 1.765 0.005 2 1310 384 118 ARG HG3 H 1.678 0.017 2 1311 384 118 ARG HD2 H 3.197 0.011 2 1312 384 118 ARG HD3 H 3.197 0.011 2 1313 384 118 ARG HE H 7.545 . 1 1314 384 118 ARG C C 178.855 0.003 1 1315 384 118 ARG CA C 58.973 0.065 1 1316 384 118 ARG CB C 30.258 0.04 1 1317 384 118 ARG CG C 27.304 . 1 1318 384 118 ARG CD C 43.513 . 1 1319 384 118 ARG N N 119.49 0.011 1 1320 384 118 ARG NE N 83.811 . 1 1321 385 119 SER H H 7.894 0.003 1 1322 385 119 SER HA H 4.346 0.01 1 1323 385 119 SER HB2 H 4.131 0.012 2 1324 385 119 SER HB3 H 4.131 0.012 2 1325 385 119 SER C C 175.641 . 1 1326 385 119 SER CA C 60.68 0.03 1 1327 385 119 SER CB C 63.88 0.042 1 1328 385 119 SER N N 114.279 0.001 1 1329 386 120 ALA H H 7.813 0.002 1 1330 386 120 ALA HA H 4.311 0.009 1 1331 386 120 ALA HB H 1.509 0.012 1 1332 386 120 ALA C C 177.698 0.01 1 1333 386 120 ALA CA C 53.222 0.018 1 1334 386 120 ALA CB C 19.337 0.073 1 1335 386 120 ALA N N 122.574 0.003 1 1336 387 121 ALA H H 7.685 0.002 1 1337 387 121 ALA HA H 4.408 0.007 1 1338 387 121 ALA HB H 1.493 0.012 1 1339 387 121 ALA C C 176.899 0.001 1 1340 387 121 ALA CA C 52.503 0.027 1 1341 387 121 ALA CB C 19.282 0.005 1 1342 387 121 ALA N N 121.047 0.006 1 1343 388 122 GLN H H 7.804 0.002 1 1344 388 122 GLN HA H 4.174 0.005 1 1345 388 122 GLN HB2 H 2.013 0.017 2 1346 388 122 GLN HB3 H 2.174 0.008 2 1347 388 122 GLN HG2 H 2.423 0.007 2 1348 388 122 GLN HG3 H 2.423 0.007 2 1349 388 122 GLN HE21 H 7.626 . 2 1350 388 122 GLN HE22 H 7.012 . 2 1351 388 122 GLN C C 180.882 . 1 1352 388 122 GLN CA C 57.49 0.012 1 1353 388 122 GLN CB C 30.384 . 1 1354 388 122 GLN N N 124.25 0.002 1 1355 388 122 GLN NE2 N 112.849 0.006 1 stop_ save_