data_17742 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; R458 ; _BMRB_accession_number 17742 _BMRB_flat_file_name bmr17742.str _Entry_type original _Submission_date 2011-06-28 _Accession_date 2011-06-28 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'ETV6 R458; sequence GSHM-R335-R458' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Coyne 'Harold Jerome' . III 2 Green Sean M. . 3 Graves Barbara J. . 4 McIntosh Lawrence P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 801 "13C chemical shifts" 574 "15N chemical shifts" 141 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-20 update BMRB 'update entry citation' 2012-05-21 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 17741 'ETS Domain within ETV6' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Autoinhibition of ETV6 (TEL) DNA Binding: Appended Helices Sterically Block the ETS Domain.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22584210 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Coyne 'H. Jerome' . 3rd 2 De Soumya . . 3 Okon Mark . . 4 Green Sean M. . 5 Bhachech Niraja . . 6 Graves Barbara J. . 7 McIntosh Lawrence P. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 421 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 67 _Page_last 84 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ETV6 R458' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ETV6 R458' $ETV6_R458 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ETV6_R458 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 15574.802 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; GSHMRLLWDYVYQLLSDSRY ENFIRWEDKESKIFRIVDPN GLARLWGNHKNRTNMTYEKM SRALRHYYKLNIIRKEPGQR LLFRFMKTPDEIMSGRTDRL EHLESQVLDEQTYQEDEPTI ASPVGWPR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 331 GLY 2 332 SER 3 333 HIS 4 334 MET 5 335 ARG 6 336 LEU 7 337 LEU 8 338 TRP 9 339 ASP 10 340 TYR 11 341 VAL 12 342 TYR 13 343 GLN 14 344 LEU 15 345 LEU 16 346 SER 17 347 ASP 18 348 SER 19 349 ARG 20 350 TYR 21 351 GLU 22 352 ASN 23 353 PHE 24 354 ILE 25 355 ARG 26 356 TRP 27 357 GLU 28 358 ASP 29 359 LYS 30 360 GLU 31 361 SER 32 362 LYS 33 363 ILE 34 364 PHE 35 365 ARG 36 366 ILE 37 367 VAL 38 368 ASP 39 369 PRO 40 370 ASN 41 371 GLY 42 372 LEU 43 373 ALA 44 374 ARG 45 375 LEU 46 376 TRP 47 377 GLY 48 378 ASN 49 379 HIS 50 380 LYS 51 381 ASN 52 382 ARG 53 383 THR 54 384 ASN 55 385 MET 56 386 THR 57 387 TYR 58 388 GLU 59 389 LYS 60 390 MET 61 391 SER 62 392 ARG 63 393 ALA 64 394 LEU 65 395 ARG 66 396 HIS 67 397 TYR 68 398 TYR 69 399 LYS 70 400 LEU 71 401 ASN 72 402 ILE 73 403 ILE 74 404 ARG 75 405 LYS 76 406 GLU 77 407 PRO 78 408 GLY 79 409 GLN 80 410 ARG 81 411 LEU 82 412 LEU 83 413 PHE 84 414 ARG 85 415 PHE 86 416 MET 87 417 LYS 88 418 THR 89 419 PRO 90 420 ASP 91 421 GLU 92 422 ILE 93 423 MET 94 424 SER 95 425 GLY 96 426 ARG 97 427 THR 98 428 ASP 99 429 ARG 100 430 LEU 101 431 GLU 102 432 HIS 103 433 LEU 104 434 GLU 105 435 SER 106 436 GLN 107 437 VAL 108 438 LEU 109 439 ASP 110 440 GLU 111 441 GLN 112 442 THR 113 443 TYR 114 444 GLN 115 445 GLU 116 446 ASP 117 447 GLU 118 448 PRO 119 449 THR 120 450 ILE 121 451 ALA 122 452 SER 123 453 PRO 124 454 VAL 125 455 GLY 126 456 TRP 127 457 PRO 128 458 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 17741 entity 82.81 106 100.00 100.00 4.61e-71 PDB 2DAO "Solution Structure Of Ets Domain Transcriptional Factor Etv6 Protein" 83.59 118 97.20 97.20 1.64e-68 PDB 2LF7 "Intramolecular Regulation Of The Ets Domain Within Etv6 Sequence R335 To Q436" 82.81 106 100.00 100.00 4.61e-71 PDB 2LF8 "Intramolecular Regulation Of The Ets Domain Within Etv6 Sequence R335 To R458" 100.00 128 100.00 100.00 4.85e-89 DBJ BAC28991 "unnamed protein product [Mus musculus]" 97.66 484 99.20 99.20 9.98e-83 DBJ BAC37386 "unnamed protein product [Mus musculus]" 97.66 442 99.20 99.20 9.74e-83 DBJ BAE32681 "unnamed protein product [Mus musculus]" 97.66 442 99.20 99.20 9.96e-83 DBJ BAE33079 "unnamed protein product [Mus musculus]" 97.66 442 99.20 99.20 9.96e-83 DBJ BAE34018 "unnamed protein product [Mus musculus]" 97.66 442 99.20 99.20 1.10e-82 EMBL CAA69220 "TEL protein [Mus musculus]" 97.66 485 99.20 99.20 9.70e-83 GB AAA19786 "t(5;12) translocation breakpoint occurs after nucleotide 487 [Homo sapiens]" 89.06 452 97.37 97.37 8.76e-72 GB AAB17135 "Ets variant gene 6; TEL oncogene, partial [Homo sapiens]" 89.06 115 97.37 97.37 2.99e-74 GB AAC97200 "ets domain protein, partial [Gallus gallus]" 89.06 390 97.37 97.37 1.85e-72 GB AAH43399 "Ets variant 6 [Homo sapiens]" 89.06 452 97.37 97.37 8.76e-72 GB AAH52163 "Etv6 protein [Mus musculus]" 97.66 442 99.20 99.20 9.96e-83 REF NP_001015514 "transcription factor ETV6 [Bos taurus]" 89.06 452 97.37 97.37 1.27e-71 REF NP_001032430 "transcription factor ETV6 [Rattus norvegicus]" 89.06 453 97.37 97.37 7.48e-72 REF NP_001186202 "transcription factor ETV6 [Gallus gallus]" 89.06 451 97.37 97.37 2.96e-72 REF NP_001253009 "transcription factor ETV6 [Macaca mulatta]" 89.06 452 97.37 97.37 8.76e-72 REF NP_001290031 "transcription factor ETV6 isoform 2 [Mus musculus]" 97.66 442 99.20 99.20 9.96e-83 SP P41212 "RecName: Full=Transcription factor ETV6; AltName: Full=ETS translocation variant 6; AltName: Full=ETS-related protein Tel1; Sho" 89.06 452 97.37 97.37 8.76e-72 SP P97360 "RecName: Full=Transcription factor ETV6; AltName: Full=ETS translocation variant 6; AltName: Full=ETS-related protein Tel1; Sho" 97.66 485 99.20 99.20 9.70e-83 SP Q0VC65 "RecName: Full=Transcription factor ETV6" 89.06 452 97.37 97.37 1.27e-71 TPG DAA29357 "TPA: transcription factor ETV6 [Bos taurus]" 80.47 441 99.03 99.03 2.98e-65 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic _Details $ETV6_R458 Mouse 10090 Eukaryota Metazoa Mus musculus 'mouse ETV6' 'ETV6 expressed in E. coli cells. The fragment of ETV6 expressed consist of the sequence R335 to R458' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $ETV6_R458 'recombinant technology' . Escherichia coli BL21(DE3) pET28b+ 'N-terminal Histidine tag appended to the ETV6 sequence R335 to R458' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'All NMR structural experiments carried out at pH 5.8' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' $ETV6_R458 0.4 mM '[U-99% 13C; U-99% 15N]' H20 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version 2.3 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_TALOS+ _Saveframe_category software _Name TALOS+ _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' 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_INOVA_600_MHz _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details cryoprobe save_ save_Unity_500_MHz _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_dipsi3dn_11 _Saveframe_category NMR_applied_experiment _Experiment_name dipsi3dn _Sample_label $sample_1 save_ save_Cmethyl_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name 'Cmethyl NOESY' _Sample_label $sample_1 save_ save_Nmethyl_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name 'Nmethyl NOESY' _Sample_label $sample_1 save_ save_hcctocsynnh_14 _Saveframe_category NMR_applied_experiment _Experiment_name hcctocsynnh _Sample_label $sample_1 save_ save_ccctocsynnh_15 _Saveframe_category NMR_applied_experiment _Experiment_name ccctocsynnh _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _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' 0.250 . M pH 5.8 . pH pressure 1 . atm temperature 303 . 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 cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aromatic' '3D CBCA(CO)NH' '3D HNCACB' '3D HCCH-TOCSY' '3D HN(CO)CA' '3D HNCO' '3D HBHA(CO)NH' dipsi3dn hcctocsynnh ccctocsynnh '2D 1H-13C HSQC aliphatic' 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 'ETV6 R458' _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 1 335 5 ARG H H 9.161 0.005 1 2 335 5 ARG HA H 4.382 0.003 1 3 335 5 ARG CA C 56.926 0.1 1 4 335 5 ARG N N 123.607 0.024 1 5 336 6 LEU H H 8.775 0.008 1 6 336 6 LEU HB2 H 1.813 0.004 2 7 336 6 LEU HB3 H 1.71 0.001 2 8 336 6 LEU HG H 1.864 0.01 1 9 336 6 LEU HD1 H 1.197 0.008 2 10 336 6 LEU HD2 H 0.981 0.002 2 11 336 6 LEU CB C 42.172 0.1 1 12 336 6 LEU CG C 27.785 0.1 1 13 336 6 LEU CD1 C 26.638 0.056 2 14 336 6 LEU CD2 C 22.948 0.093 2 15 336 6 LEU N N 122.412 0.1 1 16 337 7 LEU HA H 3.669 0.002 1 17 337 7 LEU HB2 H 1.693 0.004 2 18 337 7 LEU HB3 H 1.248 0.002 2 19 337 7 LEU HG H 0.817 0.01 1 20 337 7 LEU HD1 H -0.348 0.004 2 21 337 7 LEU HD2 H 0.163 0.006 2 22 337 7 LEU CA C 59.053 0.1 1 23 337 7 LEU CB C 40.447 0.006 1 24 337 7 LEU CG C 26.959 0.1 1 25 337 7 LEU CD1 C 22.077 0.136 2 26 337 7 LEU CD2 C 26.01 0.08 2 27 338 8 TRP H H 7.595 0.004 1 28 338 8 TRP HA H 3.747 0.005 1 29 338 8 TRP HB2 H 3.234 0.015 2 30 338 8 TRP HB3 H 2.895 0.008 2 31 338 8 TRP HD1 H 7.307 0.003 1 32 338 8 TRP HE1 H 10.052 0.003 1 33 338 8 TRP HE3 H 7.3 0.005 1 34 338 8 TRP HZ2 H 7.287 0.002 1 35 338 8 TRP HZ3 H 6.664 0.006 1 36 338 8 TRP HH2 H 6.977 0.005 1 37 338 8 TRP CA C 60.071 0.009 1 38 338 8 TRP CB C 28.481 0.001 1 39 338 8 TRP CD1 C 125.294 0.059 1 40 338 8 TRP CE3 C 120.806 0.099 1 41 338 8 TRP CZ2 C 114.656 0.057 1 42 338 8 TRP CZ3 C 121.346 0.083 1 43 338 8 TRP CH2 C 124.743 0.022 1 44 338 8 TRP N N 114.197 0.1 1 45 338 8 TRP NE1 N 128.89 0.1 1 46 339 9 ASP HA H 3.648 0.009 1 47 339 9 ASP HB2 H 2.282 0.001 2 48 339 9 ASP HB3 H 2.282 0.001 2 49 339 9 ASP C C 177.491 0.1 1 50 339 9 ASP CA C 56.197 0.1 1 51 339 9 ASP CB C 41.702 0.1 1 52 340 10 TYR H H 7.929 0.012 1 53 340 10 TYR HA H 3.851 0.004 1 54 340 10 TYR HB2 H 2.726 0.008 2 55 340 10 TYR HB3 H 2.861 0.002 2 56 340 10 TYR HD1 H 6.393 0.005 3 57 340 10 TYR HD2 H 6.381 0.007 3 58 340 10 TYR HE1 H 6.243 0.003 3 59 340 10 TYR HE2 H 6.221 0.004 3 60 340 10 TYR C C 177.016 0.1 1 61 340 10 TYR CA C 61.921 0.01 1 62 340 10 TYR CB C 39.202 0.03 1 63 340 10 TYR CD1 C 131.601 0.1 3 64 340 10 TYR CD2 C 131.647 0.1 3 65 340 10 TYR CE1 C 117.507 0.06 3 66 340 10 TYR CE2 C 117.556 0.069 3 67 340 10 TYR N N 120.786 0.058 1 68 341 11 VAL H H 8.291 0.011 1 69 341 11 VAL HA H 2.982 0.004 1 70 341 11 VAL HB H 1.791 0.009 1 71 341 11 VAL HG1 H 0.554 0.008 2 72 341 11 VAL HG2 H 0.203 0.004 2 73 341 11 VAL C C 176.795 0.1 1 74 341 11 VAL CA C 66.855 0.033 1 75 341 11 VAL CB C 31.152 0.017 1 76 341 11 VAL CG1 C 21.844 0.064 2 77 341 11 VAL CG2 C 21.771 0.093 2 78 341 11 VAL N N 114.828 0.047 1 79 342 12 TYR H H 7.712 0.011 1 80 342 12 TYR HA H 3.617 0.01 1 81 342 12 TYR HB2 H 2.761 0.007 2 82 342 12 TYR HB3 H 2.892 0.008 2 83 342 12 TYR HD1 H 6.64 0.004 3 84 342 12 TYR HD2 H 6.654 0.004 3 85 342 12 TYR HE1 H 6.452 0.01 3 86 342 12 TYR HE2 H 6.435 0.01 3 87 342 12 TYR C C 178.765 0.1 1 88 342 12 TYR CA C 62.96 0.011 1 89 342 12 TYR CB C 38.232 0.023 1 90 342 12 TYR CD1 C 132.116 0 3 91 342 12 TYR CD2 C 132.161 0.063 3 92 342 12 TYR CE1 C 117.376 0.053 3 93 342 12 TYR CE2 C 117.516 0.1 3 94 342 12 TYR N N 119.177 0.029 1 95 343 13 GLN H H 8.076 0.007 1 96 343 13 GLN HA H 3.833 0.002 1 97 343 13 GLN HB2 H 1.979 0.006 2 98 343 13 GLN HB3 H 1.979 0.006 2 99 343 13 GLN HG2 H 2.271 0.003 2 100 343 13 GLN HG3 H 2.271 0.003 2 101 343 13 GLN HE21 H 7.432 0.01 2 102 343 13 GLN HE22 H 6.701 0.006 2 103 343 13 GLN C C 179.917 0.1 1 104 343 13 GLN CA C 58.821 0.004 1 105 343 13 GLN CB C 27.649 0.1 1 106 343 13 GLN CG C 33.507 0.002 1 107 343 13 GLN N N 118.873 0.026 1 108 343 13 GLN NE2 N 111.901 0.1 1 109 344 14 LEU H H 7.772 0.009 1 110 344 14 LEU HA H 3.611 0.01 1 111 344 14 LEU HB2 H 1.265 0.004 2 112 344 14 LEU HB3 H 0.728 0.01 2 113 344 14 LEU HG H 0.633 0.004 1 114 344 14 LEU HD1 H 0.009 0.004 2 115 344 14 LEU HD2 H -0.405 0.007 2 116 344 14 LEU C C 179.861 0.1 1 117 344 14 LEU CA C 58.121 0.1 1 118 344 14 LEU CB C 41.382 0.1 1 119 344 14 LEU CG C 26.164 0.1 1 120 344 14 LEU CD1 C 25.487 0.106 2 121 344 14 LEU CD2 C 20.667 0.145 2 122 344 14 LEU N N 121.381 0.062 1 123 345 15 LEU H H 7.546 0.013 1 124 345 15 LEU HA H 3.513 0.007 1 125 345 15 LEU HB2 H 1.182 0.005 2 126 345 15 LEU HB3 H 0.249 0.004 2 127 345 15 LEU HG H 0.745 0.01 1 128 345 15 LEU HD1 H -0.962 0.005 2 129 345 15 LEU HD2 H -0.357 0.007 2 130 345 15 LEU C C 178.221 0.1 1 131 345 15 LEU CA C 56.568 0.032 1 132 345 15 LEU CB C 41.431 0.009 1 133 345 15 LEU CG C 26.434 0.1 1 134 345 15 LEU CD1 C 24.617 0.046 2 135 345 15 LEU CD2 C 24.111 0.104 2 136 345 15 LEU N N 116.801 0.018 1 137 346 16 SER H H 7.277 0.017 1 138 346 16 SER HA H 4.542 0.001 1 139 346 16 SER HB2 H 4.011 0.001 2 140 346 16 SER HB3 H 4.011 0.001 2 141 346 16 SER C C 172.51 0.1 1 142 346 16 SER CA C 58.891 0.1 1 143 346 16 SER CB C 63.993 0.1 1 144 346 16 SER N N 112.511 0.023 1 145 347 17 ASP H H 7.353 0.014 1 146 347 17 ASP HA H 4.969 0.005 1 147 347 17 ASP HB2 H 3.214 0.002 2 148 347 17 ASP HB3 H 2.532 0.005 2 149 347 17 ASP C C 175.703 0.1 1 150 347 17 ASP CA C 52.761 0.003 1 151 347 17 ASP CB C 43.427 0.004 1 152 347 17 ASP N N 122.234 0.022 1 153 348 18 SER H H 8.691 0.017 1 154 348 18 SER HA H 4.371 0.003 1 155 348 18 SER HB2 H 4.102 0.001 1 156 348 18 SER HB3 H 4.041 0.001 2 157 348 18 SER C C 176.259 0.1 1 158 348 18 SER CA C 61.131 0.029 1 159 348 18 SER CB C 63.177 0.007 1 160 348 18 SER N N 120.139 0.006 1 161 349 19 ARG H H 8.586 0.009 1 162 349 19 ARG HA H 4.114 0.004 1 163 349 19 ARG HB2 H 1.527 0.002 2 164 349 19 ARG HB3 H 1.368 0.001 2 165 349 19 ARG HG2 H 1.379 0.005 2 166 349 19 ARG HG3 H 1.379 0.005 2 167 349 19 ARG HD2 H 3.104 0.007 2 168 349 19 ARG HD3 H 2.975 0.003 2 169 349 19 ARG HE H 7.59 0.01 1 170 349 19 ARG C C 178.154 0.1 1 171 349 19 ARG CA C 58.531 0.032 1 172 349 19 ARG CB C 29.794 0.1 1 173 349 19 ARG CG C 26.921 0.024 1 174 349 19 ARG CD C 43.595 0.1 1 175 349 19 ARG N N 122.716 0.028 1 176 349 19 ARG NE N 84.437 0.1 1 177 350 20 TYR H H 8.291 0.01 1 178 350 20 TYR HA H 4.883 0.013 1 179 350 20 TYR HB2 H 3.102 0.001 2 180 350 20 TYR HB3 H 3.433 0.001 2 181 350 20 TYR HD1 H 7.161 0.002 3 182 350 20 TYR HD2 H 7.187 0.012 3 183 350 20 TYR HE1 H 6.703 0.009 3 184 350 20 TYR HE2 H 6.718 0.007 3 185 350 20 TYR C C 177.029 0.1 1 186 350 20 TYR CA C 58.741 0.013 1 187 350 20 TYR CB C 37.642 0.1 1 188 350 20 TYR CD1 C 133.344 0.1 3 189 350 20 TYR CD2 C 133.251 0.06 3 190 350 20 TYR CE1 C 118.103 0.068 3 191 350 20 TYR CE2 C 117.959 0.044 3 192 350 20 TYR N N 116.201 0.021 1 193 351 21 GLU H H 7.513 0.01 1 194 351 21 GLU HA H 4.466 0.004 1 195 351 21 GLU HB2 H 2.182 0.01 2 196 351 21 GLU HB3 H 2.082 0.01 2 197 351 21 GLU HG2 H 2.421 0.005 2 198 351 21 GLU HG3 H 2.421 0.005 2 199 351 21 GLU C C 176.324 0.1 1 200 351 21 GLU CA C 59.132 0.001 1 201 351 21 GLU CB C 29.864 0.1 1 202 351 21 GLU CG C 36.262 0.028 1 203 351 21 GLU N N 120.803 0.023 1 204 352 22 ASN H H 8.649 0.009 1 205 352 22 ASN HA H 4.492 0.004 1 206 352 22 ASN HB2 H 2.504 0.004 2 207 352 22 ASN HB3 H 2.327 0.003 2 208 352 22 ASN HD21 H 7.234 0.001 2 209 352 22 ASN HD22 H 6.418 0.006 2 210 352 22 ASN C C 174.497 0.1 1 211 352 22 ASN CA C 54.122 0.1 1 212 352 22 ASN CB C 36.935 0.018 1 213 352 22 ASN N N 114.531 0.073 1 214 352 22 ASN ND2 N 112.348 0.023 1 215 353 23 PHE H H 8.555 0.012 1 216 353 23 PHE HA H 4.751 0.01 1 217 353 23 PHE HB2 H 3.226 0.017 2 218 353 23 PHE HB3 H 3.006 0.01 2 219 353 23 PHE HD1 H 7.228 0.006 3 220 353 23 PHE HD2 H 7.23 0.008 3 221 353 23 PHE HE1 H 7.416 0.005 3 222 353 23 PHE HE2 H 7.397 0.002 3 223 353 23 PHE HZ H 7.416 0.005 1 224 353 23 PHE C C 176.442 0.1 1 225 353 23 PHE CB C 41.502 0.1 1 226 353 23 PHE CD1 C 131.117 0.031 3 227 353 23 PHE CD2 C 130.977 0.1 3 228 353 23 PHE CE1 C 131.774 0.044 3 229 353 23 PHE CE2 C 131.821 0.1 3 230 353 23 PHE CZ C 130.374 0.072 1 231 353 23 PHE N N 115.501 0.018 1 232 354 24 ILE H H 8.428 0.011 1 233 354 24 ILE HA H 5.059 0.008 1 234 354 24 ILE HB H 1.811 0.003 1 235 354 24 ILE HG12 H 0.761 0.002 2 236 354 24 ILE HG13 H 1.642 0.003 2 237 354 24 ILE HG2 H 0.601 0.005 1 238 354 24 ILE HD1 H 0.459 0.004 1 239 354 24 ILE C C 179.332 0.1 1 240 354 24 ILE CA C 59.831 0.028 1 241 354 24 ILE CB C 40.623 0.003 1 242 354 24 ILE CG1 C 27.994 0.065 1 243 354 24 ILE CG2 C 15.504 0.114 1 244 354 24 ILE CD1 C 15.247 0.108 1 245 354 24 ILE N N 120.734 0.098 1 246 355 25 ARG H H 8.671 0.009 1 247 355 25 ARG HA H 4.904 0.004 1 248 355 25 ARG HB2 H 1.985 0.008 2 249 355 25 ARG HB3 H 1.985 0.008 2 250 355 25 ARG HG2 H 1.436 0.008 2 251 355 25 ARG HG3 H 1.436 0.008 2 252 355 25 ARG HD2 H 3.182 0.005 2 253 355 25 ARG HD3 H 3.182 0.005 2 254 355 25 ARG HE H 7.245 0.01 1 255 355 25 ARG C C 175.152 0.1 1 256 355 25 ARG CA C 54.529 0.1 1 257 355 25 ARG CB C 33.599 0.1 1 258 355 25 ARG CG C 25.751 0.1 1 259 355 25 ARG CD C 43.915 0.1 1 260 355 25 ARG N N 121.187 0.13 1 261 355 25 ARG NE N 84.916 0.1 1 262 356 26 TRP H H 9.159 0.012 1 263 356 26 TRP HA H 4.884 0.001 1 264 356 26 TRP HB2 H 3.301 0.008 2 265 356 26 TRP HB3 H 2.978 0.005 2 266 356 26 TRP HD1 H 7.426 0.006 1 267 356 26 TRP HE1 H 10.019 0.003 1 268 356 26 TRP HE3 H 7.813 0.004 1 269 356 26 TRP HZ2 H 7.221 0.004 1 270 356 26 TRP HZ3 H 7.081 0.002 1 271 356 26 TRP HH2 H 7.062 0.005 1 272 356 26 TRP C C 176.642 0.1 1 273 356 26 TRP CA C 57.96 0.1 1 274 356 26 TRP CB C 30.634 0.059 1 275 356 26 TRP CD1 C 128.647 0.111 1 276 356 26 TRP CE3 C 120.486 0.002 1 277 356 26 TRP CZ2 C 115.466 0.079 1 278 356 26 TRP CZ3 C 120.468 0.024 1 279 356 26 TRP CH2 C 123.962 0.034 1 280 356 26 TRP N N 122.024 0.052 1 281 356 26 TRP NE1 N 130.421 0.015 1 282 357 27 GLU H H 9.504 0.008 1 283 357 27 GLU HA H 4.681 0.002 1 284 357 27 GLU HB2 H 1.835 0.01 2 285 357 27 GLU HB3 H 1.737 0.01 2 286 357 27 GLU HG2 H 2.235 0.01 2 287 357 27 GLU HG3 H 2.191 0.008 2 288 357 27 GLU C C 176.775 0.1 1 289 357 27 GLU CA C 56.99 0.1 1 290 357 27 GLU CB C 31.579 0.002 1 291 357 27 GLU CG C 34.965 0.006 1 292 357 27 GLU N N 125.331 0.017 1 293 358 28 ASP H H 7.846 0.008 1 294 358 28 ASP HA H 4.771 0.005 1 295 358 28 ASP HB2 H 2.771 0.012 2 296 358 28 ASP HB3 H 2.721 0.01 2 297 358 28 ASP C C 176.167 0.1 1 298 358 28 ASP CA C 53.541 0.1 1 299 358 28 ASP CB C 41.932 0.1 1 300 358 28 ASP N N 116.213 0.036 1 301 359 29 LYS H H 9.216 0.012 1 302 359 29 LYS HA H 3.157 0.007 1 303 359 29 LYS HB2 H 1.459 0.01 2 304 359 29 LYS HB3 H 1.268 0.002 2 305 359 29 LYS HG2 H 0.654 0.003 2 306 359 29 LYS HG3 H 0.074 0.005 2 307 359 29 LYS HD2 H 1.282 0.002 2 308 359 29 LYS HD3 H 1.282 0.002 2 309 359 29 LYS HE2 H 2.744 0.001 2 310 359 29 LYS HE3 H 2.744 0.001 2 311 359 29 LYS C C 178.776 0.1 1 312 359 29 LYS CA C 60.229 0.016 1 313 359 29 LYS CB C 32.734 0.022 1 314 359 29 LYS CG C 24.711 0.033 1 315 359 29 LYS CD C 29.397 0.041 1 316 359 29 LYS CE C 42.02 0.022 1 317 359 29 LYS N N 127.762 0.008 1 318 360 30 GLU H H 8.34 0.012 1 319 360 30 GLU HA H 3.925 0.007 1 320 360 30 GLU HB2 H 2.064 0.01 2 321 360 30 GLU HB3 H 2.064 0.01 2 322 360 30 GLU HG2 H 2.258 0.01 2 323 360 30 GLU HG3 H 2.258 0.01 2 324 360 30 GLU C C 178.684 0.1 1 325 360 30 GLU CA C 59.57 0.1 1 326 360 30 GLU CB C 29.177 0.1 1 327 360 30 GLU CG C 36.832 0.1 1 328 360 30 GLU N N 119.601 0.046 1 329 361 31 SER H H 7.463 0.012 1 330 361 31 SER HA H 4.494 0.004 1 331 361 31 SER HB2 H 3.921 0.006 2 332 361 31 SER HB3 H 3.551 0.002 2 333 361 31 SER C C 172.357 0.1 1 334 361 31 SER CA C 58.807 0.1 1 335 361 31 SER CB C 63.768 0.037 1 336 361 31 SER N N 113.301 0.038 1 337 362 32 LYS H H 7.752 0.01 1 338 362 32 LYS HA H 3.91 0.009 1 339 362 32 LYS HB2 H 2.794 0.003 2 340 362 32 LYS HB3 H 2.339 0.003 2 341 362 32 LYS HG2 H 1.401 0.012 2 342 362 32 LYS HG3 H 1.299 0.006 2 343 362 32 LYS HD2 H 1.699 0.011 1 344 362 32 LYS HD3 H 1.665 0.004 2 345 362 32 LYS HE2 H 2.986 0.01 2 346 362 32 LYS HE3 H 2.986 0.01 2 347 362 32 LYS C C 175.5 0.1 1 348 362 32 LYS CA C 57.63 0.1 1 349 362 32 LYS CB C 29.801 0.027 1 350 362 32 LYS CG C 24.812 0.025 1 351 362 32 LYS CD C 29.284 0.1 1 352 362 32 LYS CE C 42.467 0.1 1 353 362 32 LYS N N 115.17 0.054 1 354 363 33 ILE H H 8.262 0.01 1 355 363 33 ILE HA H 5.375 0.002 1 356 363 33 ILE HB H 1.672 0.009 1 357 363 33 ILE HG12 H 1.707 0.006 2 358 363 33 ILE HG13 H 0.721 0.011 2 359 363 33 ILE HG2 H 0.899 0.007 1 360 363 33 ILE HD1 H 0.879 0.007 1 361 363 33 ILE C C 177.068 0.1 1 362 363 33 ILE CA C 60.428 0.1 1 363 363 33 ILE CB C 40.206 0.025 1 364 363 33 ILE CG1 C 28.208 0.004 1 365 363 33 ILE CG2 C 18.07 0.104 1 366 363 33 ILE CD1 C 13.988 0.109 1 367 363 33 ILE N N 118.274 0.063 1 368 364 34 PHE H H 9.936 0.006 1 369 364 34 PHE HA H 5.566 0.006 1 370 364 34 PHE HB2 H 2.731 0.003 2 371 364 34 PHE HB3 H 2.663 0.012 2 372 364 34 PHE HD1 H 6.786 0.009 3 373 364 34 PHE HD2 H 6.837 0.007 3 374 364 34 PHE HE1 H 6.231 0.008 3 375 364 34 PHE HE2 H 6.258 0.01 3 376 364 34 PHE HZ H 6.199 0.006 1 377 364 34 PHE C C 179.56 0.1 1 378 364 34 PHE CA C 55.08 0.1 1 379 364 34 PHE CB C 44.097 0.019 1 380 364 34 PHE CD1 C 132.54 0.123 3 381 364 34 PHE CD2 C 132.54 0.146 3 382 364 34 PHE CE1 C 130.719 0.111 3 383 364 34 PHE CE2 C 130.645 0.154 3 384 364 34 PHE CZ C 128.434 0.1 1 385 364 34 PHE N N 128.285 0.021 1 386 365 35 ARG H H 9.43 0.013 1 387 365 35 ARG HA H 5.484 0.005 1 388 365 35 ARG HB2 H 1.69 0.002 2 389 365 35 ARG HB3 H 1.69 0.002 2 390 365 35 ARG HG2 H 1.055 0.006 2 391 365 35 ARG HG3 H 1.46 0.01 2 392 365 35 ARG HD2 H 3.194 0.001 2 393 365 35 ARG HD3 H 2.956 0.008 2 394 365 35 ARG HE H 7.893 0.008 1 395 365 35 ARG C C 176.522 0.1 1 396 365 35 ARG CA C 53.584 0.014 1 397 365 35 ARG CB C 36.439 0.1 1 398 365 35 ARG CG C 27.747 0.049 1 399 365 35 ARG CD C 43.732 0.1 1 400 365 35 ARG N N 120.953 0.126 1 401 365 35 ARG NE N 83.906 0.1 1 402 366 36 ILE H H 8.639 0.008 1 403 366 36 ILE HA H 4.201 0.002 1 404 366 36 ILE HB H 2.096 0.014 1 405 366 36 ILE HG12 H 1.954 0.01 2 406 366 36 ILE HG13 H 1.954 0.01 2 407 366 36 ILE HG2 H 0.779 0.007 1 408 366 36 ILE HD1 H 0.809 0.009 1 409 366 36 ILE C C 173.923 0.1 1 410 366 36 ILE CA C 63.11 0.1 1 411 366 36 ILE CB C 37.964 0.1 1 412 366 36 ILE CG1 C 27.954 0.1 1 413 366 36 ILE CG2 C 17.317 0.096 1 414 366 36 ILE CD1 C 13.327 0.072 1 415 366 36 ILE N N 125.455 0.045 1 416 367 37 VAL H H 7.839 0.012 1 417 367 37 VAL HA H 3.674 0.002 1 418 367 37 VAL HB H 1.511 0.001 1 419 367 37 VAL HG1 H 0.855 0.007 2 420 367 37 VAL HG2 H 0.776 0.007 2 421 367 37 VAL C C 175.948 0.1 1 422 367 37 VAL CA C 64.171 0.029 1 423 367 37 VAL CB C 32.87 0.1 1 424 367 37 VAL CG1 C 21.948 0.128 2 425 367 37 VAL CG2 C 21.296 0.108 2 426 367 37 VAL N N 129.251 0.075 1 427 368 38 ASP H H 7.279 0.008 1 428 368 38 ASP HA H 5.213 0.005 1 429 368 38 ASP HB2 H 3.127 0.001 2 430 368 38 ASP HB3 H 2.639 0.004 2 431 368 38 ASP CA C 50.242 0.1 1 432 368 38 ASP CB C 42.169 0.1 1 433 368 38 ASP N N 114.991 0.044 1 434 369 39 PRO HA H 3.794 0.01 1 435 369 39 PRO HB2 H 1.245 0.004 2 436 369 39 PRO HB3 H 1.142 0.002 2 437 369 39 PRO HG2 H 1.926 0.003 2 438 369 39 PRO HG3 H 1.649 0.006 2 439 369 39 PRO HD2 H 3.162 0.007 2 440 369 39 PRO HD3 H 4.055 0.001 2 441 369 39 PRO C C 178.037 0.1 1 442 369 39 PRO CA C 65.619 0.023 1 443 369 39 PRO CB C 31.057 0.1 1 444 369 39 PRO CG C 27.454 0.031 1 445 369 39 PRO CD C 50.422 0.1 1 446 370 40 ASN H H 8.121 0.011 1 447 370 40 ASN HA H 4.596 0.01 1 448 370 40 ASN HB2 H 2.963 0.002 2 449 370 40 ASN HB3 H 2.853 0.003 2 450 370 40 ASN HD21 H 7.583 0.004 2 451 370 40 ASN HD22 H 6.909 0.01 2 452 370 40 ASN C C 178.57 0.1 1 453 370 40 ASN CA C 56.501 0.1 1 454 370 40 ASN CB C 38.012 0.1 1 455 370 40 ASN N N 115.439 0.016 1 456 370 40 ASN ND2 N 112 0 1 457 371 41 GLY H H 8.622 0.01 1 458 371 41 GLY HA2 H 3.975 0.003 2 459 371 41 GLY HA3 H 3.931 0.01 2 460 371 41 GLY C C 176.09 0.1 1 461 371 41 GLY CA C 47.932 0.1 1 462 371 41 GLY N N 111.317 0.029 1 463 372 42 LEU H H 8.881 0.013 1 464 372 42 LEU HA H 4.031 0.009 1 465 372 42 LEU HB2 H 2.066 0.002 2 466 372 42 LEU HB3 H 1.527 0.01 2 467 372 42 LEU HG H 0.89 0.004 1 468 372 42 LEU HD1 H 0.808 0.009 2 469 372 42 LEU HD2 H 0.799 0.006 2 470 372 42 LEU C C 177.766 0.1 1 471 372 42 LEU CA C 57.83 0.1 1 472 372 42 LEU CB C 42.132 0.024 1 473 372 42 LEU CG C 28.104 0.063 1 474 372 42 LEU CD1 C 24.007 0.112 2 475 372 42 LEU CD2 C 24.207 0.087 2 476 372 42 LEU N N 122.892 0.088 1 477 373 43 ALA H H 8.072 0.01 1 478 373 43 ALA HA H 4.458 0.004 1 479 373 43 ALA HB H 1.477 0.005 1 480 373 43 ALA C C 179.093 0.1 1 481 373 43 ALA CA C 55.451 0.052 1 482 373 43 ALA CB C 18.324 0.027 1 483 373 43 ALA N N 120.112 0.05 1 484 374 44 ARG H H 7.769 0.011 1 485 374 44 ARG HA H 4.093 0.007 1 486 374 44 ARG HB2 H 2.04 0.002 2 487 374 44 ARG HB3 H 2.04 0.002 2 488 374 44 ARG HG2 H 1.648 0.01 2 489 374 44 ARG HG3 H 1.829 0.01 2 490 374 44 ARG HD2 H 3.319 0.003 2 491 374 44 ARG HD3 H 3.319 0.003 2 492 374 44 ARG HE H 7.33 0.01 1 493 374 44 ARG C C 179.473 0.1 1 494 374 44 ARG CA C 59.372 0.003 1 495 374 44 ARG CB C 30.114 0.1 1 496 374 44 ARG CG C 27.794 0.1 1 497 374 44 ARG CD C 43.544 0.002 1 498 374 44 ARG N N 117.916 0.013 1 499 375 45 LEU H H 7.903 0.009 1 500 375 45 LEU HA H 4.007 0.005 1 501 375 45 LEU HB2 H 1.901 0.001 2 502 375 45 LEU HB3 H 1.901 0.001 2 503 375 45 LEU HG H 1.576 0.007 1 504 375 45 LEU HD1 H 0.231 0.006 2 505 375 45 LEU HD2 H 0.644 0.004 2 506 375 45 LEU C C 180.049 0.1 1 507 375 45 LEU CA C 58.39 0.057 1 508 375 45 LEU CB C 41.552 0.1 1 509 375 45 LEU CG C 26.821 0.093 1 510 375 45 LEU CD1 C 24.894 0.074 2 511 375 45 LEU CD2 C 23.344 0.077 2 512 375 45 LEU N N 121.489 0.059 1 513 376 46 TRP H H 8.633 0.014 1 514 376 46 TRP HA H 4.089 0.006 1 515 376 46 TRP HB2 H 3.315 0.001 2 516 376 46 TRP HB3 H 2.904 0.008 2 517 376 46 TRP HD1 H 6.423 0.006 1 518 376 46 TRP HE1 H 10.48 0.005 1 519 376 46 TRP HZ2 H 7.422 0.003 1 520 376 46 TRP HZ3 H 6.731 0.01 1 521 376 46 TRP HH2 H 6.936 0.003 1 522 376 46 TRP C C 177.939 0.1 1 523 376 46 TRP CA C 60.022 0.01 1 524 376 46 TRP CB C 28.817 0.1 1 525 376 46 TRP CD1 C 125.963 0.052 1 526 376 46 TRP CZ2 C 114.303 0.015 1 527 376 46 TRP CZ3 C 121.113 0.007 1 528 376 46 TRP CH2 C 123.647 0.106 1 529 376 46 TRP N N 121.466 0.05 1 530 376 46 TRP NE1 N 129.127 0.1 1 531 377 47 GLY H H 8.828 0.009 1 532 377 47 GLY HA2 H 3.874 0.005 2 533 377 47 GLY HA3 H 3.075 0.005 2 534 377 47 GLY C C 176.128 0.1 1 535 377 47 GLY CA C 48.035 0.1 1 536 377 47 GLY N N 105.142 0.02 1 537 378 48 ASN H H 8.212 0.008 1 538 378 48 ASN HA H 4.402 0.003 1 539 378 48 ASN HB2 H 2.941 0.01 2 540 378 48 ASN HB3 H 2.832 0.001 2 541 378 48 ASN HD21 H 7.572 0.002 2 542 378 48 ASN HD22 H 6.864 0.01 2 543 378 48 ASN C C 178.625 0.1 1 544 378 48 ASN CA C 56.231 0.037 1 545 378 48 ASN CB C 38.132 0.02 1 546 378 48 ASN N N 120.327 0.022 1 547 378 48 ASN ND2 N 111.187 0.1 1 548 379 49 HIS H H 8.094 0.009 1 549 379 49 HIS HA H 4.205 0.006 1 550 379 49 HIS HB2 H 3.036 0.022 2 551 379 49 HIS HB3 H 2.923 0.004 2 552 379 49 HIS HD2 H 6.434 0.013 1 553 379 49 HIS HE1 H 7.981 0.006 1 554 379 49 HIS C C 176.086 0.1 1 555 379 49 HIS CA C 59.39 0.1 1 556 379 49 HIS CB C 29.564 0.012 1 557 379 49 HIS CD2 C 121.716 0.003 1 558 379 49 HIS CE1 C 137.961 0.234 1 559 379 49 HIS N N 121.871 0.084 1 560 379 49 HIS ND1 N 200.985 0.1 1 561 379 49 HIS NE2 N 197.218 0.1 1 562 380 50 LYS H H 7.482 0.01 1 563 380 50 LYS HA H 3.911 0.004 1 564 380 50 LYS HB2 H 1.496 0.01 2 565 380 50 LYS HB3 H 0.971 0.01 2 566 380 50 LYS HG2 H 0.615 0.001 2 567 380 50 LYS HG3 H 0.212 0.002 2 568 380 50 LYS HD2 H 1.281 0.006 2 569 380 50 LYS HD3 H 1.165 0.005 2 570 380 50 LYS HE2 H 2.782 0.01 2 571 380 50 LYS HE3 H 2.656 0.01 2 572 380 50 LYS C C 175.348 0.1 1 573 380 50 LYS CA C 53.632 0.1 1 574 380 50 LYS CB C 30.742 0.1 1 575 380 50 LYS CG C 22.654 0.034 1 576 380 50 LYS CD C 27.154 0.1 1 577 380 50 LYS CE C 41.609 0.1 1 578 380 50 LYS N N 115.181 0.01 1 579 381 51 ASN H H 7.753 0.013 1 580 381 51 ASN HA H 4.259 0.002 1 581 381 51 ASN HB2 H 3.015 0.005 2 582 381 51 ASN HB3 H 2.658 0.008 2 583 381 51 ASN HD21 H 7.363 0.007 2 584 381 51 ASN HD22 H 6.702 0.006 2 585 381 51 ASN C C 174.4 0.1 1 586 381 51 ASN CA C 54.312 0.1 1 587 381 51 ASN CB C 37.272 0.1 1 588 381 51 ASN N N 116.362 0.044 1 589 381 51 ASN ND2 N 111.904 0.006 1 590 382 52 ARG H H 8.476 0.011 1 591 382 52 ARG HA H 4.658 0.007 1 592 382 52 ARG HB2 H 1.296 0.004 2 593 382 52 ARG HB3 H 1.727 0.005 2 594 382 52 ARG HG2 H 1.383 0.01 2 595 382 52 ARG HG3 H 1.443 0.01 2 596 382 52 ARG HD2 H 3.092 0.004 2 597 382 52 ARG HD3 H 2.989 0.01 2 598 382 52 ARG C C 176.209 0.1 1 599 382 52 ARG CA C 53.668 0.1 1 600 382 52 ARG CB C 32.212 0.008 1 601 382 52 ARG CG C 26.641 0.1 1 602 382 52 ARG CD C 42.872 0.008 1 603 382 52 ARG N N 117.723 0.013 1 604 383 53 THR H H 8.333 0.012 1 605 383 53 THR HA H 4.221 0.002 1 606 383 53 THR HB H 4.239 0.002 1 607 383 53 THR HG2 H 1.159 0.006 1 608 383 53 THR C C 174.644 0.1 1 609 383 53 THR CA C 62.187 0.1 1 610 383 53 THR CB C 69.71 0.1 1 611 383 53 THR CG2 C 21.927 0.073 1 612 383 53 THR N N 114.109 0.071 1 613 384 54 ASN H H 8.521 0.008 1 614 384 54 ASN HA H 4.609 0.005 1 615 384 54 ASN HB2 H 2.865 0.002 2 616 384 54 ASN HB3 H 2.865 0.002 2 617 384 54 ASN HD21 H 7.568 0.002 2 618 384 54 ASN HD22 H 6.891 0.008 2 619 384 54 ASN C C 174.975 0.1 1 620 384 54 ASN CA C 53.193 0.1 1 621 384 54 ASN CB C 37.632 0.07 1 622 384 54 ASN N N 118.768 0.035 1 623 384 54 ASN ND2 N 112.487 0.037 1 624 385 55 MET H H 8.162 0.017 1 625 385 55 MET HA H 4.566 0.008 1 626 385 55 MET HB2 H 2.117 0.01 2 627 385 55 MET HB3 H 1.792 0.011 2 628 385 55 MET HG2 H 2.701 0.005 2 629 385 55 MET HG3 H 2.401 0.006 2 630 385 55 MET C C 175.078 0.1 1 631 385 55 MET CA C 55.298 0.01 1 632 385 55 MET CB C 31.244 0.007 1 633 385 55 MET CG C 32.569 0.1 1 634 385 55 MET N N 119.621 0.011 1 635 386 56 THR H H 7.031 0.009 1 636 386 56 THR HA H 4.824 0.009 1 637 386 56 THR HB H 4.744 0.002 1 638 386 56 THR HG2 H 1.286 0.006 1 639 386 56 THR C C 175.549 0.1 1 640 386 56 THR CA C 59.06 0.1 1 641 386 56 THR CB C 72.29 0.1 1 642 386 56 THR CG2 C 22.181 0.041 1 643 386 56 THR N N 113.114 0.006 1 644 387 57 TYR H H 9.691 0.008 1 645 387 57 TYR HA H 4.134 0.002 1 646 387 57 TYR HB2 H 2.897 0.1 2 647 387 57 TYR HB3 H 2.978 0.005 2 648 387 57 TYR HD1 H 7.051 0.018 3 649 387 57 TYR HD2 H 7.058 0.008 3 650 387 57 TYR HE1 H 6.653 0.005 3 651 387 57 TYR HE2 H 6.662 0.005 3 652 387 57 TYR C C 177.304 0.1 1 653 387 57 TYR CA C 62.3 0.1 1 654 387 57 TYR CB C 37.359 0.048 1 655 387 57 TYR CD1 C 133.007 0.025 3 656 387 57 TYR CD2 C 133.047 0.081 3 657 387 57 TYR CE1 C 117.409 0.044 3 658 387 57 TYR CE2 C 117.456 0.055 3 659 387 57 TYR N N 123.401 0.094 1 660 388 58 GLU H H 8.838 0.015 1 661 388 58 GLU HA H 3.823 0.006 1 662 388 58 GLU HB2 H 2.127 0.01 2 663 388 58 GLU HB3 H 1.953 0.01 2 664 388 58 GLU HG2 H 2.312 0.01 2 665 388 58 GLU HG3 H 2.312 0.01 2 666 388 58 GLU C C 179.213 0.1 1 667 388 58 GLU CA C 60.477 0.1 1 668 388 58 GLU CB C 28.895 0.1 1 669 388 58 GLU CG C 36.692 0.1 1 670 388 58 GLU N N 120.999 0.018 1 671 389 59 LYS H H 7.506 0.008 1 672 389 59 LYS HA H 3.939 0.01 1 673 389 59 LYS HB2 H 2.065 0.001 2 674 389 59 LYS HB3 H 1.921 0.001 2 675 389 59 LYS HG2 H 1.577 0.01 2 676 389 59 LYS HG3 H 1.439 0.001 2 677 389 59 LYS HD2 H 1.833 0.006 2 678 389 59 LYS HD3 H 1.833 0.006 2 679 389 59 LYS HE2 H 3.058 0.005 2 680 389 59 LYS HE3 H 3.058 0.005 2 681 389 59 LYS C C 178.797 0.1 1 682 389 59 LYS CA C 60.065 0.042 1 683 389 59 LYS CB C 33.378 0.041 1 684 389 59 LYS CG C 26.344 0.025 1 685 389 59 LYS CD C 30.167 0.1 1 686 389 59 LYS CE C 42.332 0.1 1 687 389 59 LYS N N 118.962 0.05 1 688 390 60 MET H H 8.051 0.007 1 689 390 60 MET HA H 3.869 0.01 1 690 390 60 MET HB2 H 2.271 0.001 2 691 390 60 MET HB3 H 2.271 0.001 2 692 390 60 MET HG2 H 2.063 0.012 2 693 390 60 MET HG3 H 2.063 0.012 2 694 390 60 MET C C 178.146 0.1 1 695 390 60 MET CA C 59.776 0.005 1 696 390 60 MET CB C 33.462 0.074 1 697 390 60 MET CG C 33.177 0.1 1 698 390 60 MET N N 120.087 0.02 1 699 391 61 SER H H 8.853 0.011 1 700 391 61 SER HA H 3.786 0.003 1 701 391 61 SER HB2 H 3.78 0.005 2 702 391 61 SER HB3 H 3.521 0.004 2 703 391 61 SER C C 176.38 0.1 1 704 391 61 SER CA C 61.6 0.1 1 705 391 61 SER CB C 62.251 0.003 1 706 391 61 SER N N 114.537 0.012 1 707 392 62 ARG H H 7.471 0.013 1 708 392 62 ARG HA H 3.928 0.003 1 709 392 62 ARG HB2 H 1.991 0.01 2 710 392 62 ARG HB3 H 1.863 0.01 2 711 392 62 ARG HG2 H 1.582 0.002 2 712 392 62 ARG HG3 H 1.885 0.006 2 713 392 62 ARG HD2 H 3.175 0.003 2 714 392 62 ARG HD3 H 3.175 0.003 2 715 392 62 ARG C C 178.732 0.1 1 716 392 62 ARG CA C 59.49 0.1 1 717 392 62 ARG CB C 30.207 0.1 1 718 392 62 ARG CG C 27.741 0.022 1 719 392 62 ARG CD C 43.802 0.1 1 720 392 62 ARG N N 122.214 0.06 1 721 393 63 ALA H H 7.376 0.014 1 722 393 63 ALA HA H 4.162 0.006 1 723 393 63 ALA HB H 1.473 0.01 1 724 393 63 ALA C C 179.699 0.1 1 725 393 63 ALA CA C 54.722 0.022 1 726 393 63 ALA CB C 18.154 0.07 1 727 393 63 ALA N N 121.091 0.022 1 728 394 64 LEU H H 7.853 0.004 1 729 394 64 LEU HA H 3.777 0.004 1 730 394 64 LEU HB2 H 1.676 0.007 2 731 394 64 LEU HB3 H 1.222 0.005 2 732 394 64 LEU HG H 1.345 0.004 1 733 394 64 LEU HD1 H 0.515 0.005 2 734 394 64 LEU HD2 H 0.344 0.006 2 735 394 64 LEU C C 178.085 0.1 1 736 394 64 LEU CA C 58.075 0.1 1 737 394 64 LEU CB C 41.052 0.1 1 738 394 64 LEU CG C 26.924 0.015 1 739 394 64 LEU CD1 C 24.771 0.104 2 740 394 64 LEU CD2 C 22.821 0.077 2 741 394 64 LEU N N 117.568 0.065 1 742 395 65 ARG H H 7.521 0.011 1 743 395 65 ARG HA H 3.529 0.004 1 744 395 65 ARG HB2 H 1.771 0.01 2 745 395 65 ARG HB3 H 1.771 0.01 2 746 395 65 ARG HG2 H 1.624 0.01 2 747 395 65 ARG HG3 H 1.624 0.01 2 748 395 65 ARG HD2 H 3.212 0.002 2 749 395 65 ARG HD3 H 3.212 0.002 2 750 395 65 ARG HE H 7.253 0.01 1 751 395 65 ARG C C 179.519 0.1 1 752 395 65 ARG CA C 59.133 0.007 1 753 395 65 ARG CB C 30.004 0.1 1 754 395 65 ARG CG C 27.834 0.1 1 755 395 65 ARG CD C 43.932 0.094 1 756 395 65 ARG N N 116.111 0.082 1 757 396 66 HIS H H 7.241 0.01 1 758 396 66 HIS HA H 4.436 0.002 1 759 396 66 HIS HB2 H 3.046 0.013 2 760 396 66 HIS HB3 H 2.936 0.007 2 761 396 66 HIS HD2 H 6.826 0.004 1 762 396 66 HIS HE1 H 7.863 0.003 1 763 396 66 HIS C C 177.826 0.1 1 764 396 66 HIS CA C 59.063 0.1 1 765 396 66 HIS CB C 30.154 0.035 1 766 396 66 HIS CD2 C 119.456 0.098 1 767 396 66 HIS CE1 C 138.501 0.1 1 768 396 66 HIS N N 118.081 0.067 1 769 396 66 HIS ND1 N 201.474 0.1 1 770 396 66 HIS NE2 N 178.627 0.1 1 771 397 67 TYR H H 7.532 0.01 1 772 397 67 TYR HA H 4.128 0.003 1 773 397 67 TYR HB2 H 2.905 0.005 2 774 397 67 TYR HB3 H 3.317 0.005 2 775 397 67 TYR HD1 H 7.107 0.009 3 776 397 67 TYR HD2 H 7.113 0.007 3 777 397 67 TYR HE1 H 6.864 0.005 3 778 397 67 TYR HE2 H 6.873 0.008 3 779 397 67 TYR C C 179.075 0.1 1 780 397 67 TYR CA C 61.525 0.1 1 781 397 67 TYR CB C 37.522 0.03 1 782 397 67 TYR CD1 C 131.515 0.177 3 783 397 67 TYR CD2 C 131.685 0.124 3 784 397 67 TYR CE1 C 119.723 0.062 3 785 397 67 TYR CE2 C 119.775 0.026 3 786 397 67 TYR N N 116.301 0.053 1 787 398 68 TYR H H 8.061 0.016 1 788 398 68 TYR HA H 5.474 0.004 1 789 398 68 TYR HB2 H 3.405 0.005 2 790 398 68 TYR HB3 H 3.551 0.005 2 791 398 68 TYR HD1 H 7.255 0.002 3 792 398 68 TYR HD2 H 7.264 0.003 3 793 398 68 TYR HE1 H 6.741 0.003 3 794 398 68 TYR HE2 H 6.753 0.01 3 795 398 68 TYR C C 172.285 0.1 1 796 398 68 TYR CA C 57.651 0.073 1 797 398 68 TYR CB C 37.055 0.011 1 798 398 68 TYR CD1 C 132.388 0.1 3 799 398 68 TYR CD2 C 132.435 0.167 3 800 398 68 TYR CE1 C 117.755 0.146 3 801 398 68 TYR CE2 C 117.705 0.1 3 802 398 68 TYR N N 121.389 0.023 1 803 399 69 LYS H H 7.799 0.012 1 804 399 69 LYS HA H 4.125 0.006 1 805 399 69 LYS HB2 H 2.029 0.009 2 806 399 69 LYS HB3 H 2.029 0.009 2 807 399 69 LYS HG2 H 1.625 0.003 2 808 399 69 LYS HG3 H 1.552 0.004 2 809 399 69 LYS HD2 H 1.749 0.004 2 810 399 69 LYS HD3 H 1.749 0.004 2 811 399 69 LYS HE2 H 3.024 0.002 2 812 399 69 LYS HE3 H 3.024 0.002 2 813 399 69 LYS C C 178.122 0.1 1 814 399 69 LYS CA C 58.801 0.103 1 815 399 69 LYS CB C 32.242 0.1 1 816 399 69 LYS CG C 25.187 0.069 1 817 399 69 LYS CD C 29.187 0.022 1 818 399 69 LYS CE C 42.092 0.1 1 819 399 69 LYS N N 121.098 0.051 1 820 400 70 LEU H H 7.257 0.016 1 821 400 70 LEU HA H 4.312 0.004 1 822 400 70 LEU HB2 H 1.726 0.007 2 823 400 70 LEU HB3 H 1.515 0.003 2 824 400 70 LEU HG H 1.677 0.01 1 825 400 70 LEU HD1 H 0.711 0.003 2 826 400 70 LEU HD2 H 0.817 0.005 2 827 400 70 LEU C C 175.903 0.1 1 828 400 70 LEU CA C 54.642 0.015 1 829 400 70 LEU CB C 42.796 0.1 1 830 400 70 LEU CG C 27.429 0.1 1 831 400 70 LEU CD1 C 25.834 0.064 2 832 400 70 LEU CD2 C 22.834 0.093 2 833 400 70 LEU N N 116.117 0.023 1 834 401 71 ASN H H 8.061 0.009 1 835 401 71 ASN HA H 4.368 0.004 1 836 401 71 ASN HB2 H 3.097 0.01 2 837 401 71 ASN HB3 H 2.772 0.01 2 838 401 71 ASN HD21 H 7.362 0.003 2 839 401 71 ASN HD22 H 6.711 0.001 2 840 401 71 ASN C C 173.597 0.1 1 841 401 71 ASN CA C 54.622 0.1 1 842 401 71 ASN CB C 37.252 0.038 1 843 401 71 ASN N N 115.181 0.025 1 844 401 71 ASN ND2 N 111.601 0.1 1 845 402 72 ILE H H 8.104 0.013 1 846 402 72 ILE HA H 4.128 0.003 1 847 402 72 ILE HB H 1.707 0.004 1 848 402 72 ILE HG12 H 1.613 0.001 2 849 402 72 ILE HG13 H 0.681 0.003 2 850 402 72 ILE HG2 H 0.794 0.007 1 851 402 72 ILE HD1 H 0.661 0.006 1 852 402 72 ILE C C 176.467 0.1 1 853 402 72 ILE CA C 63.72 0.1 1 854 402 72 ILE CB C 40.491 0.019 1 855 402 72 ILE CG1 C 29.013 0.032 1 856 402 72 ILE CG2 C 18.111 0.124 1 857 402 72 ILE CD1 C 14.253 0.1 1 858 402 72 ILE N N 114.031 0.098 1 859 403 73 ILE H H 7.099 0.012 1 860 403 73 ILE HA H 5.014 0.005 1 861 403 73 ILE HB H 1.462 0.01 1 862 403 73 ILE HG12 H 1.55 0.003 2 863 403 73 ILE HG13 H 0.696 0.003 2 864 403 73 ILE HG2 H 0.84 0.004 1 865 403 73 ILE HD1 H 0.392 0.006 1 866 403 73 ILE C C 174.039 0.1 1 867 403 73 ILE CA C 59.357 0.1 1 868 403 73 ILE CB C 43.362 0.1 1 869 403 73 ILE CG1 C 28.679 0.041 1 870 403 73 ILE CG2 C 18.781 0.093 1 871 403 73 ILE CD1 C 13.081 0.117 1 872 403 73 ILE N N 116.973 0.052 1 873 404 74 ARG H H 8.983 0.012 1 874 404 74 ARG HA H 4.771 0.003 1 875 404 74 ARG HB2 H 1.826 0.01 2 876 404 74 ARG HB3 H 1.774 0.011 2 877 404 74 ARG HG2 H 1.529 0.003 2 878 404 74 ARG HG3 H 1.571 0.001 2 879 404 74 ARG HD2 H 3.217 0.01 2 880 404 74 ARG HD3 H 3.156 0.01 2 881 404 74 ARG HE H 7.231 0.004 1 882 404 74 ARG C C 174.917 0.1 1 883 404 74 ARG CA C 54.261 0.1 1 884 404 74 ARG CB C 34.689 0.1 1 885 404 74 ARG CG C 27.091 0.015 1 886 404 74 ARG CD C 43.969 0.1 1 887 404 74 ARG N N 123.639 0.036 1 888 405 75 LYS H H 8.263 0.012 1 889 405 75 LYS HA H 4.071 0.004 1 890 405 75 LYS HB2 H 1.439 0.01 2 891 405 75 LYS HB3 H 1.336 0.01 2 892 405 75 LYS HG2 H 1.125 0.001 2 893 405 75 LYS HG3 H 0.759 0.005 2 894 405 75 LYS HD2 H 1.541 0.004 2 895 405 75 LYS HD3 H 1.475 0.004 2 896 405 75 LYS HE2 H 2.922 0.001 2 897 405 75 LYS HE3 H 2.846 0.003 2 898 405 75 LYS C C 176.525 0.1 1 899 405 75 LYS CA C 56.47 0.1 1 900 405 75 LYS CB C 32.649 0.1 1 901 405 75 LYS CG C 24.657 0.038 1 902 405 75 LYS CD C 29.154 0.1 1 903 405 75 LYS CE C 42.059 0.003 1 904 405 75 LYS N N 125.665 0.032 1 905 406 76 GLU H H 8.024 0.009 1 906 406 76 GLU HA H 4.432 0.01 1 907 406 76 GLU HB2 H 1.383 0.001 2 908 406 76 GLU HB3 H 1.383 0.001 2 909 406 76 GLU HG2 H 1.957 0.01 2 910 406 76 GLU HG3 H 1.769 0.01 2 911 406 76 GLU CA C 53.747 0.1 1 912 406 76 GLU CB C 29.914 0.05 1 913 406 76 GLU CG C 36.505 0.1 1 914 406 76 GLU N N 128.072 0.027 1 915 407 77 PRO HA H 4.282 0.003 1 916 407 77 PRO HB2 H 1.846 0.009 2 917 407 77 PRO HB3 H 2.208 0.004 2 918 407 77 PRO HG2 H 1.933 0.01 2 919 407 77 PRO HG3 H 1.933 0.01 2 920 407 77 PRO HD2 H 3.738 0.002 2 921 407 77 PRO HD3 H 3.532 0.005 2 922 407 77 PRO C C 177.719 0.1 1 923 407 77 PRO CA C 63.407 0.1 1 924 407 77 PRO CB C 32.184 0.012 1 925 407 77 PRO CG C 27.537 0.1 1 926 407 77 PRO CD C 50.671 0.006 1 927 408 78 GLY H H 8.531 0.019 1 928 408 78 GLY HA2 H 4.164 0.003 2 929 408 78 GLY HA3 H 3.688 0.01 2 930 408 78 GLY C C 174.053 0.1 1 931 408 78 GLY CA C 45.519 0.1 1 932 408 78 GLY N N 109.716 0.013 1 933 409 79 GLN H H 7.559 0.028 1 934 409 79 GLN HA H 4.488 0.003 1 935 409 79 GLN HB2 H 2.024 0.01 2 936 409 79 GLN HB3 H 1.659 0.014 2 937 409 79 GLN HG2 H 2.233 0.004 2 938 409 79 GLN HG3 H 2.233 0.004 2 939 409 79 GLN HE21 H 7.487 0.006 2 940 409 79 GLN HE22 H 6.802 0.006 2 941 409 79 GLN C C 175.39 0.1 1 942 409 79 GLN CA C 54.359 0.1 1 943 409 79 GLN CB C 31.202 0.1 1 944 409 79 GLN CG C 33.276 0.027 1 945 409 79 GLN N N 116.964 0.019 1 946 409 79 GLN NE2 N 112.646 0.1 1 947 410 80 ARG H H 8.251 0.011 1 948 410 80 ARG HA H 4.262 0.004 1 949 410 80 ARG HB2 H 1.729 0.021 2 950 410 80 ARG HB3 H 1.729 0.021 2 951 410 80 ARG HG2 H 1.565 0.01 2 952 410 80 ARG HG3 H 1.667 0.01 2 953 410 80 ARG HD2 H 3.179 0.002 2 954 410 80 ARG HD3 H 3.179 0.002 2 955 410 80 ARG HE H 7.985 0.01 1 956 410 80 ARG C C 176.27 0.1 1 957 410 80 ARG CA C 56.821 0.1 1 958 410 80 ARG CB C 31.502 0.1 1 959 410 80 ARG CG C 27.684 0.1 1 960 410 80 ARG CD C 43.572 0.1 1 961 410 80 ARG N N 120.457 0.076 1 962 410 80 ARG NE N 83.914 0.1 1 963 411 81 LEU H H 8.435 0.011 1 964 411 81 LEU HA H 4.023 0.003 1 965 411 81 LEU HB2 H 2.083 0.002 2 966 411 81 LEU HB3 H 1.871 0.004 2 967 411 81 LEU HG H 1.497 0.01 1 968 411 81 LEU HD1 H 0.849 0.005 2 969 411 81 LEU HD2 H 0.914 0.011 2 970 411 81 LEU C C 173.279 0.1 1 971 411 81 LEU CA C 55.03 0.081 1 972 411 81 LEU CB C 40.335 0.1 1 973 411 81 LEU CG C 27.084 0.1 1 974 411 81 LEU CD1 C 25.944 0.079 2 975 411 81 LEU CD2 C 23.439 0.095 2 976 411 81 LEU N N 119.348 0.027 1 977 412 82 LEU H H 6.751 0.011 1 978 412 82 LEU HA H 5.013 0.01 1 979 412 82 LEU HB2 H 1.163 0.004 2 980 412 82 LEU HB3 H 1.046 0.003 2 981 412 82 LEU HG H 1.238 0.006 1 982 412 82 LEU HD1 H 0.706 0.007 2 983 412 82 LEU HD2 H 0.659 0.004 2 984 412 82 LEU C C 175.361 0.1 1 985 412 82 LEU CA C 53.212 0.1 1 986 412 82 LEU CB C 45.471 0.1 1 987 412 82 LEU CG C 27.148 0.005 1 988 412 82 LEU CD1 C 25.144 0.101 2 989 412 82 LEU CD2 C 25.029 0.084 2 990 412 82 LEU N N 119.07 0.081 1 991 413 83 PHE H H 8.661 0.01 1 992 413 83 PHE HA H 4.865 0.005 1 993 413 83 PHE HB2 H 0.655 0.004 2 994 413 83 PHE HB3 H 2.131 0.001 2 995 413 83 PHE HD1 H 6.594 0.002 3 996 413 83 PHE HD2 H 6.606 0.005 3 997 413 83 PHE HE1 H 7.232 0.01 3 998 413 83 PHE HE2 H 7.25 0.008 3 999 413 83 PHE HZ H 7.292 0.01 1 1000 413 83 PHE C C 172.849 0.1 1 1001 413 83 PHE CA C 55.921 0.1 1 1002 413 83 PHE CB C 44.569 0.007 1 1003 413 83 PHE CD1 C 131.254 0.1 3 1004 413 83 PHE CD2 C 131.207 0.155 3 1005 413 83 PHE CE1 C 131.044 0.1 3 1006 413 83 PHE CE2 C 131.091 0.052 3 1007 413 83 PHE CZ C 128.945 0.131 1 1008 413 83 PHE N N 122.184 0.047 1 1009 414 84 ARG H H 9.098 0.01 1 1010 414 84 ARG HA H 5.581 0.003 1 1011 414 84 ARG HB2 H 1.713 0.003 2 1012 414 84 ARG HB3 H 1.713 0.003 2 1013 414 84 ARG HG2 H 1.574 0.008 2 1014 414 84 ARG HG3 H 1.574 0.008 2 1015 414 84 ARG HD2 H 3.287 0.005 2 1016 414 84 ARG HD3 H 3.001 0.005 2 1017 414 84 ARG HE H 7.607 0.01 1 1018 414 84 ARG HH11 H 6.866 0.01 2 1019 414 84 ARG HH21 H 6.889 0.01 2 1020 414 84 ARG C C 177.641 0.1 1 1021 414 84 ARG CA C 54.239 0.015 1 1022 414 84 ARG CB C 36.198 0.007 1 1023 414 84 ARG CG C 27.164 0.001 1 1024 414 84 ARG CD C 44.428 0.022 1 1025 414 84 ARG N N 119.461 0.044 1 1026 414 84 ARG NE N 85.242 0.1 1 1027 415 85 PHE H H 8.928 0.007 1 1028 415 85 PHE HA H 5.027 0.002 1 1029 415 85 PHE HB2 H 3.566 0.007 2 1030 415 85 PHE HB3 H 3.295 0.009 2 1031 415 85 PHE HD1 H 7.515 0.004 3 1032 415 85 PHE HD2 H 7.512 0.009 3 1033 415 85 PHE HE1 H 6.793 0.002 3 1034 415 85 PHE HE2 H 6.779 0.017 3 1035 415 85 PHE HZ H 6.831 0.001 1 1036 415 85 PHE C C 176.117 0.1 1 1037 415 85 PHE CA C 59.657 0.004 1 1038 415 85 PHE CB C 40.819 0.006 1 1039 415 85 PHE CD1 C 131.408 0.152 3 1040 415 85 PHE CD2 C 131.361 0.009 3 1041 415 85 PHE CE1 C 131.345 0.075 3 1042 415 85 PHE CE2 C 131.299 0.1 3 1043 415 85 PHE CZ C 128.754 0.143 1 1044 415 85 PHE N N 124.274 0.071 1 1045 416 86 MET H H 8.676 0.01 1 1046 416 86 MET HA H 4.656 0.001 1 1047 416 86 MET HB2 H 2.201 0.004 2 1048 416 86 MET HB3 H 2.201 0.004 2 1049 416 86 MET HG2 H 2.458 0.01 2 1050 416 86 MET HG3 H 2.458 0.01 2 1051 416 86 MET C C 176.444 0.1 1 1052 416 86 MET CA C 54.681 0.1 1 1053 416 86 MET CB C 31.698 0.025 1 1054 416 86 MET CG C 31.728 0.021 1 1055 416 86 MET N N 121.081 0.037 1 1056 417 87 LYS H H 7.624 0.012 1 1057 417 87 LYS HA H 4.899 0.016 1 1058 417 87 LYS HB2 H 1.866 0.005 2 1059 417 87 LYS HB3 H 1.509 0.004 2 1060 417 87 LYS HG2 H 1.535 0.01 2 1061 417 87 LYS HG3 H 1.506 0.002 2 1062 417 87 LYS HD2 H 1.606 0.004 2 1063 417 87 LYS HD3 H 1.497 0.011 2 1064 417 87 LYS HE2 H 2.955 0.003 2 1065 417 87 LYS HE3 H 3.008 0.007 2 1066 417 87 LYS C C 175.621 0.1 1 1067 417 87 LYS CA C 54.522 0.1 1 1068 417 87 LYS CB C 37.905 0.1 1 1069 417 87 LYS CG C 25.704 0.1 1 1070 417 87 LYS CD C 29.774 0.1 1 1071 417 87 LYS CE C 42.429 0.019 1 1072 417 87 LYS N N 117.772 0.095 1 1073 418 88 THR H H 8.787 0.012 1 1074 418 88 THR HA H 4.372 0.008 1 1075 418 88 THR HB H 4.278 0.01 1 1076 418 88 THR HG2 H 1.215 0.01 1 1077 418 88 THR CA C 59.786 0.034 1 1078 418 88 THR CB C 68.04 0.01 1 1079 418 88 THR CG2 C 22.277 0.127 1 1080 418 88 THR N N 112.426 0.045 1 1081 419 89 PRO HA H 3.654 0.002 1 1082 419 89 PRO HB2 H 1.679 0.01 2 1083 419 89 PRO HB3 H 1.981 0.001 2 1084 419 89 PRO HG2 H 0.89 0.001 2 1085 419 89 PRO HG3 H 1.508 0.007 2 1086 419 89 PRO HD2 H 2.974 0.015 2 1087 419 89 PRO HD3 H 2.909 0.007 2 1088 419 89 PRO C C 177.412 0.1 1 1089 419 89 PRO CA C 65.712 0.1 1 1090 419 89 PRO CB C 31.762 0.009 1 1091 419 89 PRO CG C 27.782 0.036 1 1092 419 89 PRO CD C 49.476 0.1 1 1093 420 90 ASP H H 7.958 0.011 1 1094 420 90 ASP HA H 4.224 0.003 1 1095 420 90 ASP HB2 H 2.534 0.004 2 1096 420 90 ASP HB3 H 2.459 0.01 2 1097 420 90 ASP C C 178.341 0.1 1 1098 420 90 ASP CA C 56.657 0.013 1 1099 420 90 ASP CB C 40.642 0.1 1 1100 420 90 ASP N N 114.221 0.018 1 1101 421 91 GLU H H 7.628 0.011 1 1102 421 91 GLU HA H 4.006 0.001 1 1103 421 91 GLU HB2 H 2.263 0.003 2 1104 421 91 GLU HB3 H 1.941 0.003 2 1105 421 91 GLU HG2 H 2.183 0.01 2 1106 421 91 GLU HG3 H 2.295 0.01 2 1107 421 91 GLU C C 179.238 0.1 1 1108 421 91 GLU CA C 58.458 0.1 1 1109 421 91 GLU CB C 30.774 0.016 1 1110 421 91 GLU CG C 37.338 0.018 1 1111 421 91 GLU N N 119.443 0.041 1 1112 422 92 ILE H H 7.896 0.012 1 1113 422 92 ILE HA H 3.589 0.005 1 1114 422 92 ILE HB H 1.232 0.002 1 1115 422 92 ILE HG12 H 0.615 0.004 2 1116 422 92 ILE HG13 H 1.429 0.01 2 1117 422 92 ILE HG2 H 0.263 0.006 1 1118 422 92 ILE HD1 H 0.246 0.009 1 1119 422 92 ILE C C 178.124 0.1 1 1120 422 92 ILE CA C 63.878 0.1 1 1121 422 92 ILE CB C 38.142 0.001 1 1122 422 92 ILE CG1 C 28.731 0.1 1 1123 422 92 ILE CG2 C 17.247 0.136 1 1124 422 92 ILE CD1 C 12.954 0.124 1 1125 422 92 ILE N N 120.617 0.031 1 1126 423 93 MET H H 8.161 0.005 1 1127 423 93 MET HA H 4.365 0.004 1 1128 423 93 MET HB2 H 2.074 0.004 2 1129 423 93 MET HB3 H 2.198 0.009 2 1130 423 93 MET HG2 H 2.676 0.001 2 1131 423 93 MET HG3 H 2.754 0.001 2 1132 423 93 MET C C 177.009 0.1 1 1133 423 93 MET CA C 56.527 0.1 1 1134 423 93 MET CB C 32.617 0.001 1 1135 423 93 MET CG C 32.669 0.007 1 1136 423 93 MET N N 117.857 0.134 1 1137 424 94 SER H H 7.744 0.004 1 1138 424 94 SER HA H 4.406 0.01 1 1139 424 94 SER HB2 H 3.961 0.003 2 1140 424 94 SER HB3 H 3.961 0.003 2 1141 424 94 SER C C 175.262 0.1 1 1142 424 94 SER CA C 59.482 0.014 1 1143 424 94 SER CB C 63.466 0.1 1 1144 424 94 SER N N 114.591 0.028 1 1145 425 95 GLY H H 7.97 0.021 1 1146 425 95 GLY HA2 H 3.927 0.006 2 1147 425 95 GLY HA3 H 4.202 0.006 2 1148 425 95 GLY C C 174.197 0.1 1 1149 425 95 GLY CA C 45.122 0.1 1 1150 425 95 GLY N N 109.59 0.071 1 1151 426 96 ARG H H 8.144 0.007 1 1152 426 96 ARG HA H 4.567 0.01 1 1153 426 96 ARG HB2 H 1.891 0.004 2 1154 426 96 ARG HB3 H 2.022 0.001 2 1155 426 96 ARG HG2 H 1.667 0.008 2 1156 426 96 ARG HG3 H 1.746 0.002 2 1157 426 96 ARG HD2 H 3.253 0.01 2 1158 426 96 ARG HD3 H 3.253 0.01 2 1159 426 96 ARG C C 177.866 0.1 1 1160 426 96 ARG CA C 55.757 0.1 1 1161 426 96 ARG CB C 30.059 0.005 1 1162 426 96 ARG CG C 27.014 0.1 1 1163 426 96 ARG CD C 43.102 0.1 1 1164 426 96 ARG N N 119.792 0.075 1 1165 427 97 THR H H 8.427 0.015 1 1166 427 97 THR HA H 4.221 0.008 1 1167 427 97 THR HB H 4.463 0.01 1 1168 427 97 THR HG2 H 1.225 0.008 1 1169 427 97 THR C C 175.449 0.1 1 1170 427 97 THR CA C 63.411 0.1 1 1171 427 97 THR CB C 69.08 0.1 1 1172 427 97 THR CG2 C 22.392 0.115 1 1173 427 97 THR N N 114.77 0.049 1 1174 428 98 ASP H H 8.659 0.023 1 1175 428 98 ASP HA H 4.404 0.004 1 1176 428 98 ASP HB2 H 2.749 0.004 2 1177 428 98 ASP HB3 H 2.654 0.009 2 1178 428 98 ASP C C 178.042 0.1 1 1179 428 98 ASP CA C 56.438 0.06 1 1180 428 98 ASP CB C 40.012 0.1 1 1181 428 98 ASP N N 122.017 0.044 1 1182 429 99 ARG H H 8.011 0.014 1 1183 429 99 ARG HA H 4.19 0.008 1 1184 429 99 ARG HB2 H 1.882 0.004 2 1185 429 99 ARG HB3 H 1.882 0.004 2 1186 429 99 ARG HG2 H 1.62 0.01 2 1187 429 99 ARG HG3 H 1.62 0.01 2 1188 429 99 ARG HD2 H 3.246 0.01 2 1189 429 99 ARG HD3 H 3.246 0.01 2 1190 429 99 ARG C C 178.236 0.1 1 1191 429 99 ARG CA C 58.307 0.005 1 1192 429 99 ARG CB C 30.073 0.032 1 1193 429 99 ARG CG C 27.387 0.1 1 1194 429 99 ARG CD C 43.392 0.1 1 1195 429 99 ARG N N 120.083 0.036 1 1196 430 100 LEU H H 7.667 0.011 1 1197 430 100 LEU HA H 4.048 0.006 1 1198 430 100 LEU HB2 H 1.834 0.002 2 1199 430 100 LEU HB3 H 1.692 0.005 2 1200 430 100 LEU HG H 1.679 0.006 1 1201 430 100 LEU HD1 H 0.831 0.005 2 1202 430 100 LEU HD2 H 0.689 0.012 2 1203 430 100 LEU C C 178.209 0.1 1 1204 430 100 LEU CA C 57.535 0.1 1 1205 430 100 LEU CB C 42.218 0.003 1 1206 430 100 LEU CG C 27.287 0.006 1 1207 430 100 LEU CD1 C 24.701 0.083 2 1208 430 100 LEU CD2 C 23.838 0.071 2 1209 430 100 LEU N N 119.784 0.038 1 1210 431 101 GLU H H 8.339 0.005 1 1211 431 101 GLU HA H 3.962 0.003 1 1212 431 101 GLU HB2 H 2.105 0.007 2 1213 431 101 GLU HB3 H 2.105 0.007 2 1214 431 101 GLU HG2 H 2.242 0.004 2 1215 431 101 GLU HG3 H 2.377 0.01 2 1216 431 101 GLU C C 178.773 0.1 1 1217 431 101 GLU CA C 59.47 0.1 1 1218 431 101 GLU CB C 29.667 0.1 1 1219 431 101 GLU CG C 36.612 0.1 1 1220 431 101 GLU N N 119.434 0.037 1 1221 432 102 HIS H H 7.995 0.006 1 1222 432 102 HIS HA H 4.463 0.003 1 1223 432 102 HIS HB2 H 3.269 0.012 2 1224 432 102 HIS HB3 H 3.269 0.012 2 1225 432 102 HIS HD2 H 7.133 0.006 1 1226 432 102 HIS HE1 H 8.299 0.007 1 1227 432 102 HIS C C 177.322 0.1 1 1228 432 102 HIS CA C 58.432 0.1 1 1229 432 102 HIS CB C 29.237 0.043 1 1230 432 102 HIS CD2 C 119.802 0.036 1 1231 432 102 HIS CE1 C 137.144 0.105 1 1232 432 102 HIS N N 118.026 0.025 1 1233 432 102 HIS ND1 N 193.549 0.1 1 1234 432 102 HIS NE2 N 175.985 0.1 1 1235 433 103 LEU H H 8.077 0.005 1 1236 433 103 LEU HA H 3.971 0.006 1 1237 433 103 LEU HB2 H 1.638 0.008 2 1238 433 103 LEU HB3 H 1.079 0.001 2 1239 433 103 LEU HG H 1.633 0.01 1 1240 433 103 LEU HD1 H 0.654 0.004 2 1241 433 103 LEU HD2 H 0.662 0.003 2 1242 433 103 LEU C C 179.014 0.1 1 1243 433 103 LEU CA C 57.57 0.1 1 1244 433 103 LEU CB C 41.606 0.1 1 1245 433 103 LEU CG C 26.696 0.1 1 1246 433 103 LEU CD1 C 25.197 0.073 2 1247 433 103 LEU CD2 C 23.044 0.081 2 1248 433 103 LEU N N 120.785 0.074 1 1249 434 104 GLU H H 8.443 0.008 1 1250 434 104 GLU HA H 4.025 0.006 1 1251 434 104 GLU HB2 H 2.255 0.002 2 1252 434 104 GLU HB3 H 2.222 0.001 2 1253 434 104 GLU HG2 H 2.315 0.004 2 1254 434 104 GLU HG3 H 2.595 0.003 2 1255 434 104 GLU C C 178.187 0.1 1 1256 434 104 GLU CA C 60.221 0.008 1 1257 434 104 GLU CB C 30.104 0.1 1 1258 434 104 GLU CG C 37.885 0.008 1 1259 434 104 GLU N N 119.107 0.039 1 1260 435 105 SER H H 8.041 0.008 1 1261 435 105 SER HA H 4.204 0.004 1 1262 435 105 SER HB2 H 3.997 0.01 2 1263 435 105 SER HB3 H 3.947 0.01 2 1264 435 105 SER C C 175.924 0.1 1 1265 435 105 SER CA C 61.303 0.1 1 1266 435 105 SER CB C 63.07 0.1 1 1267 435 105 SER N N 114.129 0.032 1 1268 436 106 GLN H H 7.823 0.006 1 1269 436 106 GLN HA H 4.124 0.002 1 1270 436 106 GLN HB2 H 2.107 0.006 2 1271 436 106 GLN HB3 H 2.107 0.006 2 1272 436 106 GLN HG2 H 2.251 0.004 2 1273 436 106 GLN HG3 H 2.345 0.003 2 1274 436 106 GLN HE21 H 7.339 0.001 2 1275 436 106 GLN HE22 H 6.749 0.1 2 1276 436 106 GLN C C 178.242 0.1 1 1277 436 106 GLN CA C 58.242 0.1 1 1278 436 106 GLN CB C 29.001 0.1 1 1279 436 106 GLN CG C 34.255 0.019 1 1280 436 106 GLN N N 120.201 0.034 1 1281 436 106 GLN NE2 N 111.502 0.1 1 1282 437 107 VAL H H 7.711 0.009 1 1283 437 107 VAL HA H 3.955 0.007 1 1284 437 107 VAL HB H 2.242 0.004 1 1285 437 107 VAL HG1 H 1.024 0.007 2 1286 437 107 VAL HG2 H 0.995 0.008 2 1287 437 107 VAL C C 177.462 0.1 1 1288 437 107 VAL CA C 64.414 0.007 1 1289 437 107 VAL CB C 32.192 0.1 1 1290 437 107 VAL CG1 C 21.762 0.098 2 1291 437 107 VAL CG2 C 21.878 0.07 2 1292 437 107 VAL N N 117.503 0.081 1 1293 438 108 LEU HA H 4.072 0.006 1 1294 438 108 LEU HB2 H 1.774 0.003 2 1295 438 108 LEU HB3 H 1.774 0.003 2 1296 438 108 LEU HG H 1.358 0.009 1 1297 438 108 LEU HD1 H 0.792 0.005 2 1298 438 108 LEU HD2 H 0.591 0.011 2 1299 438 108 LEU C C 177.614 0.1 1 1300 438 108 LEU CA C 56.521 0.1 1 1301 438 108 LEU CB C 42.149 0.1 1 1302 438 108 LEU CG C 26.994 0.1 1 1303 438 108 LEU CD1 C 25.837 0.106 2 1304 438 108 LEU CD2 C 23.454 0.061 2 1305 439 109 ASP H H 7.872 0.009 1 1306 439 109 ASP HA H 4.685 0.003 1 1307 439 109 ASP HB2 H 2.785 0.001 2 1308 439 109 ASP HB3 H 2.622 0.004 2 1309 439 109 ASP C C 176.372 0.1 1 1310 439 109 ASP CA C 54.653 0.1 1 1311 439 109 ASP CB C 41.425 0.1 1 1312 439 109 ASP N N 118.5 0.172 1 1313 440 110 GLU H H 7.929 0.003 1 1314 440 110 GLU HA H 4.188 0.001 1 1315 440 110 GLU HB2 H 2.072 0.002 2 1316 440 110 GLU HB3 H 2.072 0.002 2 1317 440 110 GLU HG2 H 2.261 0.002 2 1318 440 110 GLU HG3 H 2.337 0.002 2 1319 440 110 GLU C C 176.739 0.1 1 1320 440 110 GLU CA C 57.31 0.043 1 1321 440 110 GLU CB C 30.091 0.1 1 1322 440 110 GLU CG C 36.476 0.1 1 1323 440 110 GLU N N 120.701 0.037 1 1324 441 111 GLN H H 8.434 0.013 1 1325 441 111 GLN HA H 4.341 0.009 1 1326 441 111 GLN HB2 H 1.966 0.01 2 1327 441 111 GLN HB3 H 2.091 0.01 2 1328 441 111 GLN HG2 H 2.331 0.002 2 1329 441 111 GLN HG3 H 2.331 0.002 2 1330 441 111 GLN HE21 H 7.493 0.01 2 1331 441 111 GLN HE22 H 6.806 0.001 2 1332 441 111 GLN C C 176.214 0.1 1 1333 441 111 GLN CA C 56.103 0.1 1 1334 441 111 GLN CB C 29.607 0.1 1 1335 441 111 GLN CG C 33.942 0.1 1 1336 441 111 GLN N N 120.829 0.009 1 1337 441 111 GLN NE2 N 112.5 0.1 1 1338 442 112 THR H H 8.038 0.007 1 1339 442 112 THR HA H 4.258 0.001 1 1340 442 112 THR HB H 4.112 0.001 1 1341 442 112 THR HG2 H 1.102 0.005 1 1342 442 112 THR C C 174.095 0.1 1 1343 442 112 THR CA C 62.14 0.1 1 1344 442 112 THR CB C 69.87 0.1 1 1345 442 112 THR CG2 C 21.962 0.131 1 1346 442 112 THR N N 114.861 0.064 1 1347 443 113 TYR H H 8.171 0.008 1 1348 443 113 TYR HA H 4.552 0.001 1 1349 443 113 TYR HB2 H 2.937 0.007 2 1350 443 113 TYR HB3 H 3.001 0.002 2 1351 443 113 TYR HD1 H 7.065 0.002 3 1352 443 113 TYR HD2 H 7.083 0.003 3 1353 443 113 TYR HE1 H 6.771 0.007 3 1354 443 113 TYR HE2 H 6.789 0.009 3 1355 443 113 TYR C C 175.303 0.1 1 1356 443 113 TYR CA C 57.921 0.041 1 1357 443 113 TYR CB C 38.982 0.1 1 1358 443 113 TYR CD1 C 133.381 0.007 3 1359 443 113 TYR CD2 C 133.427 0.1 3 1360 443 113 TYR CE1 C 118.176 0.023 3 1361 443 113 TYR CE2 C 118.129 0.053 3 1362 443 113 TYR N N 122.709 0.034 1 1363 444 114 GLN H H 8.202 0.01 1 1364 444 114 GLN HA H 4.284 0.006 1 1365 444 114 GLN HB2 H 1.901 0.007 2 1366 444 114 GLN HB3 H 2.025 0.002 2 1367 444 114 GLN HG2 H 2.265 0.001 2 1368 444 114 GLN HG3 H 2.265 0.001 2 1369 444 114 GLN HE21 H 7.432 0.003 2 1370 444 114 GLN HE22 H 6.703 0.004 2 1371 444 114 GLN C C 175.372 0.1 1 1372 444 114 GLN CA C 55.543 0.1 1 1373 444 114 GLN CB C 29.894 0.1 1 1374 444 114 GLN CG C 33.653 0.123 1 1375 444 114 GLN N N 122.768 0.094 1 1376 444 114 GLN NE2 N 112.3 0.1 1 1377 445 115 GLU H H 8.371 0.015 1 1378 445 115 GLU HA H 4.225 0.009 1 1379 445 115 GLU HB2 H 2.041 0.006 2 1380 445 115 GLU HB3 H 1.908 0.007 2 1381 445 115 GLU HG2 H 2.262 0.004 2 1382 445 115 GLU HG3 H 2.262 0.004 2 1383 445 115 GLU C C 176.058 0.1 1 1384 445 115 GLU CA C 56.612 0.1 1 1385 445 115 GLU CB C 30.517 0.1 1 1386 445 115 GLU CG C 36.442 0.1 1 1387 445 115 GLU N N 122.37 0.022 1 1388 446 116 ASP H H 8.336 0.013 1 1389 446 116 ASP HA H 4.595 0.002 1 1390 446 116 ASP HB2 H 2.662 0.005 2 1391 446 116 ASP HB3 H 2.574 0.009 2 1392 446 116 ASP C C 175.872 0.1 1 1393 446 116 ASP CA C 54.382 0.1 1 1394 446 116 ASP CB C 41.402 0.1 1 1395 446 116 ASP N N 121.09 0.022 1 1396 447 117 GLU H H 8.194 0.014 1 1397 447 117 GLU HA H 4.575 0.003 1 1398 447 117 GLU HB2 H 2.027 0.002 2 1399 447 117 GLU HB3 H 1.899 0.004 2 1400 447 117 GLU HG2 H 2.261 0.004 2 1401 447 117 GLU HG3 H 2.261 0.004 2 1402 447 117 GLU CA C 54.442 0.1 1 1403 447 117 GLU CB C 30.254 0.1 1 1404 447 117 GLU CG C 36.162 0.1 1 1405 447 117 GLU N N 121.977 0.041 1 1406 448 118 PRO HA H 4.461 0.007 1 1407 448 118 PRO HB2 H 1.889 0.007 2 1408 448 118 PRO HB3 H 2.264 0.003 2 1409 448 118 PRO HG2 H 1.997 0.01 2 1410 448 118 PRO HG3 H 1.997 0.01 2 1411 448 118 PRO HD2 H 3.767 0.002 2 1412 448 118 PRO HD3 H 3.691 0.006 2 1413 448 118 PRO C C 177.16 0.1 1 1414 448 118 PRO CA C 63.371 0.001 1 1415 448 118 PRO CB C 32.302 0.1 1 1416 448 118 PRO CG C 27.594 0.1 1 1417 448 118 PRO CD C 50.782 0.1 1 1418 449 119 THR H H 8.235 0.008 1 1419 449 119 THR HA H 4.292 0.005 1 1420 449 119 THR HB H 4.169 0.002 1 1421 449 119 THR HG2 H 1.187 0.005 1 1422 449 119 THR C C 174.664 0.1 1 1423 449 119 THR CA C 62.117 0.003 1 1424 449 119 THR CB C 69.861 0.047 1 1425 449 119 THR CG2 C 21.874 0.086 1 1426 449 119 THR N N 114.788 0.039 1 1427 450 120 ILE H H 8.043 0.009 1 1428 450 120 ILE HA H 4.169 0.005 1 1429 450 120 ILE HB H 1.832 0.005 1 1430 450 120 ILE HG12 H 1.426 0.013 2 1431 450 120 ILE HG13 H 1.146 0.004 2 1432 450 120 ILE HG2 H 0.872 0.002 1 1433 450 120 ILE HD1 H 0.824 0.002 1 1434 450 120 ILE C C 175.683 0.1 1 1435 450 120 ILE CA C 60.987 0.1 1 1436 450 120 ILE CB C 38.983 0.1 1 1437 450 120 ILE CG1 C 27.407 0.1 1 1438 450 120 ILE CG2 C 17.764 0.118 1 1439 450 120 ILE CD1 C 13.063 0.076 1 1440 450 120 ILE N N 123.074 0.07 1 1441 451 121 ALA H H 8.277 0.009 1 1442 451 121 ALA HA H 4.332 0.005 1 1443 451 121 ALA HB H 1.339 0.002 1 1444 451 121 ALA C C 177.333 0.1 1 1445 451 121 ALA CA C 52.364 0.1 1 1446 451 121 ALA CB C 19.534 0.088 1 1447 451 121 ALA N N 128.011 0.036 1 1448 452 122 SER H H 8.161 0.009 1 1449 452 122 SER HA H 4.672 0.006 1 1450 452 122 SER HB2 H 3.793 0.005 2 1451 452 122 SER HB3 H 3.793 0.005 2 1452 452 122 SER CA C 56.23 0.1 1 1453 452 122 SER CB C 63.46 0.1 1 1454 452 122 SER N N 116.575 0.047 1 1455 453 123 PRO HA H 4.395 0.008 1 1456 453 123 PRO HB2 H 1.851 0.002 2 1457 453 123 PRO HB3 H 2.195 0.007 2 1458 453 123 PRO HG2 H 1.891 0.01 2 1459 453 123 PRO HG3 H 1.891 0.01 2 1460 453 123 PRO HD2 H 3.714 0.004 2 1461 453 123 PRO HD3 H 3.546 0.011 2 1462 453 123 PRO C C 176.993 0.1 1 1463 453 123 PRO CA C 63.303 0.015 1 1464 453 123 PRO CB C 32.149 0.1 1 1465 453 123 PRO CG C 27.464 0.1 1 1466 453 123 PRO CD C 50.705 0.1 1 1467 454 124 VAL H H 8.058 0.009 1 1468 454 124 VAL HA H 4.01 0.002 1 1469 454 124 VAL HB H 1.995 0.003 1 1470 454 124 VAL HG1 H 0.867 0.002 2 1471 454 124 VAL HG2 H 0.888 0.003 2 1472 454 124 VAL CA C 62.674 0.001 1 1473 454 124 VAL CB C 32.669 0.028 1 1474 454 124 VAL CG1 C 21.241 0.054 2 1475 454 124 VAL CG2 C 20.826 0.086 2 1476 454 124 VAL N N 119.733 0.088 1 1477 455 125 GLY H H 8.255 0.003 1 1478 455 125 GLY HA2 H 3.854 0.006 2 1479 455 125 GLY HA3 H 3.854 0.006 2 1480 455 125 GLY CA C 45.152 0.1 1 1481 455 125 GLY N N 111.901 0.033 1 1482 456 126 TRP H H 7.906 0.001 1 1483 456 126 TRP HA H 4.929 0.006 1 1484 456 126 TRP HB2 H 3.299 0.01 2 1485 456 126 TRP HB3 H 3.116 0.007 2 1486 456 126 TRP HD1 H 7.234 0.002 1 1487 456 126 TRP HE1 H 10.096 0.006 1 1488 456 126 TRP HE3 H 7.145 0.002 1 1489 456 126 TRP HZ2 H 7.476 0.006 1 1490 456 126 TRP HZ3 H 7.668 0.01 1 1491 456 126 TRP HH2 H 7.213 0.004 1 1492 456 126 TRP CA C 55.029 0.1 1 1493 456 126 TRP CB C 29.383 0.004 1 1494 456 126 TRP CD1 C 127.021 0.147 1 1495 456 126 TRP CE3 C 122.662 0.289 1 1496 456 126 TRP CZ2 C 114.516 0.057 1 1497 456 126 TRP CZ3 C 121.181 0.172 1 1498 456 126 TRP CH2 C 124.48 0.06 1 1499 456 126 TRP N N 122.405 0.004 1 1500 456 126 TRP NE1 N 129.148 0.1 1 1501 457 127 PRO HA H 4.429 0.004 1 1502 457 127 PRO HB2 H 1.932 0.002 2 1503 457 127 PRO HB3 H 2.234 0.003 2 1504 457 127 PRO HG2 H 1.926 0.01 2 1505 457 127 PRO HG3 H 1.926 0.01 2 1506 457 127 PRO HD2 H 3.733 0.004 2 1507 457 127 PRO HD3 H 3.401 0.006 2 1508 457 127 PRO C C 175.951 0.1 1 1509 457 127 PRO CA C 63.558 0.001 1 1510 457 127 PRO CB C 31.932 0.1 1 1511 457 127 PRO CG C 27.567 0.1 1 1512 457 127 PRO CD C 50.752 0.1 1 1513 458 128 ARG H H 7.901 0.01 1 1514 458 128 ARG HA H 4.184 0.013 1 1515 458 128 ARG CA C 57.451 0.001 1 1516 458 128 ARG N N 126.601 0.048 1 stop_ save_