data_5498 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and Sidechain 1H, 13C, and 15N Chemical Shift Assigments for Complex between p67SH3(C) and p47 Tail Peptide ; _BMRB_accession_number 5498 _BMRB_flat_file_name bmr5498.str _Entry_type original _Submission_date 2002-08-08 _Accession_date 2002-08-09 _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 Kami Keiichiro . . 2 Takeya Ryu . . 3 Sumimoto Hideki . . 4 Kohda Daisuke . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 551 "13C chemical shifts" 395 "15N chemical shifts" 86 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-08-22 original author . stop_ _Original_release_date 2002-08-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Diverse Recognition of Non-PxxP Peptide Ligands by the SH3 Domains from p67(phox), Grb2 and Pex13p ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22159732 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kami Keiichiro . . 2 Takeya Ryu . . 3 Sumimoto Hideki . . 4 Kohda Daisuke . . stop_ _Journal_abbreviation 'EMBO J.' _Journal_volume 21 _Journal_issue 16 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4268 _Page_last 4276 _Year 2002 _Details . loop_ _Keyword 'SH3 domain' p67phox p47phox stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref_1 _Saveframe_category citation _Citation_full ; Delaglio, F. et al. J. Biomol. NMR 6, 277-293 (1995). ; _Citation_title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 8520220 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Delaglio F . . 2 Grzesiek S . . 3 Vuister 'G W' W. . 4 Zhu G . . 5 Pfeifer J . . 6 Bax A . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of biomolecular NMR' _Journal_volume 6 _Journal_issue 3 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 277 _Page_last 293 _Year 1995 _Details ; The NMRPipe system is a UNIX software environment of processing, graphics, and analysis tools designed to meet current routine and research-oriented multidimensional processing requirements, and to anticipate and accommodate future demands and developments. The system is based on UNIX pipes, which allow programs running simultaneously to exchange streams of data under user control. In an NMRPipe processing scheme, a stream of spectral data flows through a pipeline of processing programs, each of which performs one component of the overall scheme, such as Fourier transformation or linear prediction. Complete multidimensional processing schemes are constructed as simple UNIX shell scripts. The processing modules themselves maintain and exploit accurate records of data sizes, detection modes, and calibration information in all dimensions, so that schemes can be constructed without the need to explicitly define or anticipate data sizes or storage details of real and imaginary channels during processing. The asynchronous pipeline scheme provides other substantial advantages, including high flexibility, favorable processing speeds, choice of both all-in-memory and disk-bound processing, easy adaptation to different data formats, simpler software development and maintenance, and the ability to distribute processing tasks on multi-CPU computers and computer networks. ; save_ save_ref_2 _Saveframe_category citation _Citation_full ; Markley, J.L. et al. J. Mol. Biol. 280, 933-952 (1998). ; _Citation_title 'Recommendations for the presentation of NMR structures of proteins and nucleic acids.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 9671561 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Markley 'J L' L. . 2 Bax A . . 3 Arata Y . . 4 Hilbers 'C W' W. . 5 Kaptein R . . 6 Sykes 'B D' D. . 7 Wright 'P E' E. . 8 Wuthrich K . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 280 _Journal_issue 5 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 933 _Page_last 952 _Year 1998 _Details ; The recommendations presented here are designed to support easier communication of NMR data and NMR structures of proteins and nucleic acids through unified nomenclature and reporting standards. Much of this document pertains to the reporting of data in journal articles; however, in the interest of the future development of structural biology, it is desirable that the bulk of the reported information be stored in computer-accessible form and be freely accessible to the scientific community in standardized formats for data exchange. These recommendations stem from an IUPAC-IUBMB-IUPAB inter-union venture with the direct involvement of ICSU and CODATA. The Task Group has reviewed previous formal recommendations and has extended them in the light of more recent developments in the field of biomolecular NMR spectroscopy. Drafts of the recommendations presented here have been examined critically by more than 50 specialists in the field and have gone through two rounds of extensive modification to incorporate suggestions and criticisms. ; save_ ################################## # Molecular system description # ################################## save_system_SH3-peptide_complex _Saveframe_category molecular_system _Mol_system_name 'p67SH3(C) and p47 tail peptide' _Abbreviation_common 'SH3-peptide complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'p67phox C-terminal SH3 domain' $p67SH3 'p47phox C-terminal region, p47 tail peptide' $p47_tail_peptide stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'hetero dimer' _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'signal transduction' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_p67SH3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Src homology 3' _Name_variant C499S/C514S _Abbreviation_common SH3 _Molecular_mass 7076 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 64 _Mol_residue_sequence ; GSQLKKGSQVEALFSYEATQ PEDLEFQEGDIILVLSKVNE EWLEGESKGKVGIFPKVFVE DSAT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 GLY 2 0 SER 3 455 GLN 4 456 LEU 5 457 LYS 6 458 LYS 7 459 GLY 8 460 SER 9 461 GLN 10 462 VAL 11 463 GLU 12 464 ALA 13 465 LEU 14 466 PHE 15 467 SER 16 468 TYR 17 469 GLU 18 470 ALA 19 471 THR 20 472 GLN 21 473 PRO 22 474 GLU 23 475 ASP 24 476 LEU 25 477 GLU 26 478 PHE 27 479 GLN 28 480 GLU 29 481 GLY 30 482 ASP 31 483 ILE 32 484 ILE 33 485 LEU 34 486 VAL 35 487 LEU 36 488 SER 37 489 LYS 38 490 VAL 39 491 ASN 40 492 GLU 41 493 GLU 42 494 TRP 43 495 LEU 44 496 GLU 45 497 GLY 46 498 GLU 47 499 SER 48 500 LYS 49 501 GLY 50 502 LYS 51 503 VAL 52 504 GLY 53 505 ILE 54 506 PHE 55 507 PRO 56 508 LYS 57 509 VAL 58 510 PHE 59 511 VAL 60 512 GLU 61 513 ASP 62 514 SER 63 515 ALA 64 516 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1K4U "Solution Structure Of The C-Terminal Sh3 Domain Of P67phox Complexed With The C-Terminal Tail Region Of P47phox" 96.97 32 100.00 100.00 6.49e-12 DBJ BAD96937 "neutrophil cytosolic factor 1 variant [Homo sapiens]" 96.97 390 100.00 100.00 4.95e-11 DBJ BAJ20521 "neutrophil cytosolic factor 1 [synthetic construct]" 96.97 390 100.00 100.00 4.95e-11 GB AAA57209 "neutrophil cytosol factor 1 [Homo sapiens]" 96.97 390 100.00 100.00 4.90e-11 GB AAA59901 "autosomal chronic granulomatous disease protein [Homo sapiens]" 96.97 390 100.00 100.00 4.90e-11 GB AAB95193 "p47-phox [Homo sapiens]" 96.97 390 100.00 100.00 5.15e-11 GB AAF34737 "p47-phox [Homo sapiens]" 96.97 390 100.00 100.00 5.15e-11 GB AAH02816 "Neutrophil cytosolic factor 1 [Homo sapiens]" 96.97 390 100.00 100.00 4.95e-11 REF NP_000256 "neutrophil cytosol factor 1 [Homo sapiens]" 96.97 390 100.00 100.00 4.95e-11 REF XP_001084055 "PREDICTED: neutrophil cytosol factor 1 [Macaca mulatta]" 96.97 390 100.00 100.00 5.92e-11 REF XP_001152639 "PREDICTED: neutrophil cytosol factor 1 [Pan troglodytes]" 96.97 390 100.00 100.00 4.90e-11 REF XP_002817919 "PREDICTED: neutrophil cytosol factor 1 [Pongo abelii]" 96.97 364 100.00 100.00 4.58e-11 REF XP_003276682 "PREDICTED: neutrophil cytosol factor 1 [Nomascus leucogenys]" 96.97 247 100.00 100.00 1.30e-11 SP A6NI72 "RecName: Full=Putative neutrophil cytosol factor 1B; Short=NCF-1B; AltName: Full=Putative SH3 and PX domain-containing protein " 96.97 391 100.00 100.00 4.97e-11 SP A8MVU1 "RecName: Full=Putative neutrophil cytosol factor 1C; Short=NCF-1C; AltName: Full=Putative SH3 and PX domain-containing protein " 96.97 366 100.00 100.00 5.13e-11 SP P14598 "RecName: Full=Neutrophil cytosol factor 1; Short=NCF-1; AltName: Full=47 kDa autosomal chronic granulomatous disease protein; A" 96.97 390 100.00 100.00 4.95e-11 stop_ save_ save_p47_tail_peptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'C-terminal region of p47phox' _Abbreviation_common 'p47 tail peptide' _Molecular_mass 3475 _Mol_thiol_state 'all free' _Details . _Residue_count 33 _Mol_residue_sequence ; GSKPQPAVPPRPSADLILNR CSESTKRKLASAV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 GLY 2 359 SER 3 360 LYS 4 361 PRO 5 362 GLN 6 363 PRO 7 364 ALA 8 365 VAL 9 366 PRO 10 367 PRO 11 368 ARG 12 369 PRO 13 370 SER 14 371 ALA 15 372 ASP 16 373 LEU 17 374 ILE 18 375 LEU 19 376 ASN 20 377 ARG 21 378 CYS 22 379 SER 23 380 GLU 24 381 SER 25 382 THR 26 383 LYS 27 384 ARG 28 385 LYS 29 386 LEU 30 387 ALA 31 388 SER 32 389 ALA 33 390 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Cell_type _Fraction _Gene_mnemonic $p67SH3 Human 9606 Eukaryota Metazoa Homo sapiens phagocyte 'cell membrane' NCF2 $p47_tail_peptide Human 9606 Eukaryota Metazoa Homo sapiens phagocyte 'cell membrane' NCF1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_type _Vector_name $p67SH3 'recombinant technology' 'E. coli' Escherichia coli BL21 DE3 plasmid pGEX-2T $p47_tail_peptide 'recombinant technology' 'E. coli' Escherichia coli BL21 DE3 plasmid pGEX-2T stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $p67SH3 . mM 0.5 0.7 '[U-98% 13C; U-98% 15N]' $p47_tail_peptide . mM 0.5 0.7 '[U-98% 13C; U-98% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Saveframe_category software _Name nmrPipe _Version . loop_ _Task 'raw spectral data processing' stop_ _Details . _Citation_label $ref_1 save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label . save_ save_HCCH-COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label . save_ save_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_CCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name CCH-COSY _Sample_label . save_ save_15N-resolved_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-resolved NOESY' _Sample_label . save_ save_15N-resolved_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-resolved TOCSY' _Sample_label . save_ save_HNHA_11 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_HNHB_12 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _Sample_label . save_ save_3D_F1_13C-filtered_F3_13C-resolved_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D F1 13C-filtered F3 13C-resolved NOESY' _Sample_label . save_ save_3D_F1_15N-filtered_F3_15N-resolved_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D F1 15N-filtered F3 15N-resolved NOESY' _Sample_label . save_ save_2D_spin-echo_difference_experiments_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D spin-echo difference experiments' _Sample_label . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.1 0.5 n/a temperature 298 0.1 K 'ionic strength' 0.1 . M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio_citation_label DSS H 1 'methyl protons' ppm 0.00 internal direct cylindrical external parallel $ref_2 DSS C 13 'methyl protons' ppm 0.00 external indirect cylindrical external parallel $ref_2 DSS N 15 'methyl protons' ppm 0.00 external indirect cylindrical external parallel $ref_2 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_chemical_shift_p67SH3 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'p67phox C-terminal SH3 domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 3 GLN HA H 4.34 0.006 1 2 . 3 GLN HB2 H 2.08 0.006 2 3 . 3 GLN HB3 H 1.91 0.006 2 4 . 3 GLN HG2 H 2.33 0.006 1 5 . 3 GLN HG3 H 2.33 0.006 1 6 . 3 GLN C C 175.69 0.14 1 7 . 3 GLN CA C 55.46 0.14 1 8 . 3 GLN CB C 29.28 0.14 1 9 . 3 GLN CG C 33.69 0.14 1 10 . 4 LEU H H 8.26 0.006 1 11 . 4 LEU HA H 4.25 0.006 1 12 . 4 LEU HB2 H 1.25 0.006 2 13 . 4 LEU HB3 H 1.69 0.006 2 14 . 4 LEU HG H 1.63 0.006 1 15 . 4 LEU HD1 H 0.82 0.006 1 16 . 4 LEU HD2 H 0.80 0.006 1 17 . 4 LEU N N 123.08 0.47 1 18 . 4 LEU C C 176.02 0.14 1 19 . 4 LEU CA C 54.90 0.14 1 20 . 4 LEU CB C 42.13 0.14 1 21 . 4 LEU CG C 26.86 0.14 1 22 . 4 LEU CD1 C 23.97 0.14 1 23 . 4 LEU CD2 C 23.92 0.14 1 24 . 5 LYS H H 8.25 0.006 1 25 . 5 LYS HA H 4.38 0.006 1 26 . 5 LYS HB2 H 1.72 0.006 2 27 . 5 LYS HB3 H 1.81 0.006 2 28 . 5 LYS HG2 H 1.29 0.006 1 29 . 5 LYS HG3 H 1.29 0.006 1 30 . 5 LYS HD2 H 1.61 0.006 1 31 . 5 LYS HD3 H 1.61 0.006 1 32 . 5 LYS HE2 H 2.95 0.006 1 33 . 5 LYS HE3 H 2.95 0.006 1 34 . 5 LYS N N 120.77 0.47 1 35 . 5 LYS C C 175.18 0.14 1 36 . 5 LYS CA C 54.56 0.14 1 37 . 5 LYS CB C 34.71 0.14 1 38 . 5 LYS CG C 23.34 0.14 1 39 . 5 LYS CD C 29.14 0.14 1 40 . 5 LYS CE C 41.90 0.14 1 41 . 6 LYS H H 8.39 0.006 1 42 . 6 LYS HA H 3.85 0.006 1 43 . 6 LYS HB2 H 1.69 0.006 2 44 . 6 LYS HB3 H 1.77 0.006 2 45 . 6 LYS HG2 H 1.32 0.006 2 46 . 6 LYS HG3 H 1.53 0.006 2 47 . 6 LYS HD2 H 1.74 0.006 1 48 . 6 LYS HD3 H 1.74 0.006 1 49 . 6 LYS HE2 H 3.03 0.006 1 50 . 6 LYS HE3 H 3.03 0.006 1 51 . 6 LYS N N 121.43 0.47 1 52 . 6 LYS C C 177.48 0.14 1 53 . 6 LYS CA C 58.23 0.14 1 54 . 6 LYS CB C 32.18 0.14 1 55 . 6 LYS CG C 24.66 0.14 1 56 . 6 LYS CD C 29.32 0.14 1 57 . 6 LYS CE C 41.84 0.14 1 58 . 7 GLY H H 9.05 0.006 1 59 . 7 GLY HA2 H 4.38 0.006 2 60 . 7 GLY HA3 H 3.67 0.006 2 61 . 7 GLY N N 114.99 0.47 1 62 . 7 GLY C C 174.64 0.14 1 63 . 7 GLY CA C 44.89 0.14 1 64 . 8 SER H H 8.38 0.006 1 65 . 8 SER HA H 4.43 0.006 1 66 . 8 SER HB2 H 3.83 0.006 2 67 . 8 SER HB3 H 3.91 0.006 2 68 . 8 SER N N 117.70 0.47 1 69 . 8 SER C C 172.25 0.14 1 70 . 8 SER CA C 60.12 0.14 1 71 . 8 SER CB C 63.86 0.14 1 72 . 9 GLN H H 8.50 0.006 1 73 . 9 GLN HA H 5.34 0.006 1 74 . 9 GLN HB2 H 1.90 0.006 1 75 . 9 GLN HB3 H 1.81 0.006 1 76 . 9 GLN HG2 H 2.06 0.006 2 77 . 9 GLN HG3 H 2.30 0.006 2 78 . 9 GLN N N 122.32 0.47 1 79 . 9 GLN C C 175.69 0.14 1 80 . 9 GLN CA C 54.68 0.14 1 81 . 9 GLN CB C 30.75 0.14 1 82 . 9 GLN CG C 34.87 0.14 1 83 . 10 VAL H H 9.12 0.006 1 84 . 10 VAL HA H 4.75 0.006 1 85 . 10 VAL HB H 1.99 0.006 1 86 . 10 VAL HG1 H 0.78 0.006 1 87 . 10 VAL HG2 H 0.73 0.006 1 88 . 10 VAL N N 118.80 0.47 1 89 . 10 VAL C C 172.69 0.14 1 90 . 10 VAL CA C 58.57 0.14 1 91 . 10 VAL CB C 35.58 0.14 1 92 . 10 VAL CG1 C 21.78 0.14 1 93 . 10 VAL CG2 C 19.71 0.14 1 94 . 11 GLU H H 8.35 0.006 1 95 . 11 GLU HA H 4.68 0.006 1 96 . 11 GLU HB2 H 1.70 0.006 1 97 . 11 GLU HB3 H 1.70 0.006 1 98 . 11 GLU HG2 H 1.91 0.006 1 99 . 11 GLU HG3 H 1.91 0.006 1 100 . 11 GLU N N 122.94 0.47 1 101 . 11 GLU C C 176.13 0.14 1 102 . 11 GLU CA C 54.18 0.14 1 103 . 11 GLU CB C 31.89 0.14 1 104 . 11 GLU CG C 36.16 0.14 1 105 . 12 ALA H H 8.76 0.006 1 106 . 12 ALA HA H 4.11 0.006 1 107 . 12 ALA HB H 1.36 0.006 1 108 . 12 ALA N N 125.80 0.47 1 109 . 12 ALA C C 178.85 0.14 1 110 . 12 ALA CA C 52.87 0.14 1 111 . 12 ALA CB C 20.20 0.14 1 112 . 13 LEU H H 8.86 0.006 1 113 . 13 LEU HA H 4.01 0.006 1 114 . 13 LEU HB2 H 1.39 0.006 1 115 . 13 LEU HB3 H 0.80 0.006 1 116 . 13 LEU HG H 1.44 0.006 1 117 . 13 LEU HD1 H 0.68 0.006 1 118 . 13 LEU HD2 H 0.64 0.006 1 119 . 13 LEU N N 127.20 0.47 1 120 . 13 LEU C C 174.91 0.14 1 121 . 13 LEU CA C 55.48 0.14 1 122 . 13 LEU CB C 43.70 0.14 1 123 . 13 LEU CG C 27.02 0.14 1 124 . 13 LEU CD1 C 25.32 0.14 1 125 . 13 LEU CD2 C 22.06 0.14 1 126 . 14 PHE H H 7.65 0.006 1 127 . 14 PHE HA H 4.80 0.006 1 128 . 14 PHE HB2 H 2.52 0.006 1 129 . 14 PHE HB3 H 3.26 0.006 1 130 . 14 PHE HD1 H 7.07 0.006 1 131 . 14 PHE HD2 H 7.07 0.006 1 132 . 14 PHE HE1 H 7.18 0.006 1 133 . 14 PHE HE2 H 7.18 0.006 1 134 . 14 PHE HZ H 7.10 0.006 1 135 . 14 PHE N N 113.29 0.47 1 136 . 14 PHE C C 173.90 0.14 1 137 . 14 PHE CA C 55.03 0.14 1 138 . 14 PHE CB C 44.15 0.14 1 139 . 15 SER H H 9.01 0.006 1 140 . 15 SER HA H 4.59 0.006 1 141 . 15 SER HB2 H 3.97 0.006 2 142 . 15 SER HB3 H 4.04 0.006 2 143 . 15 SER N N 115.99 0.47 1 144 . 15 SER C C 172.55 0.14 1 145 . 15 SER CA C 58.39 0.14 1 146 . 15 SER CB C 63.33 0.14 1 147 . 16 TYR H H 7.75 0.006 1 148 . 16 TYR HA H 4.46 0.006 1 149 . 16 TYR HB2 H 1.04 0.006 2 150 . 16 TYR HB3 H 1.88 0.006 2 151 . 16 TYR HD1 H 6.62 0.006 1 152 . 16 TYR HD2 H 6.62 0.006 1 153 . 16 TYR HE1 H 6.67 0.006 1 154 . 16 TYR HE2 H 6.67 0.006 1 155 . 16 TYR N N 125.91 0.47 1 156 . 16 TYR C C 173.07 0.14 1 157 . 16 TYR CA C 56.47 0.14 1 158 . 16 TYR CB C 41.00 0.14 1 159 . 17 GLU H H 7.33 0.006 1 160 . 17 GLU HA H 4.05 0.006 1 161 . 17 GLU HB2 H 1.61 0.006 1 162 . 17 GLU HB3 H 1.61 0.006 1 163 . 17 GLU HG2 H 1.91 0.006 2 164 . 17 GLU HG3 H 2.07 0.006 2 165 . 17 GLU N N 126.98 0.47 1 166 . 17 GLU C C 174.45 0.14 1 167 . 17 GLU CA C 54.16 0.14 1 168 . 17 GLU CB C 30.47 0.14 1 169 . 17 GLU CG C 36.25 0.14 1 170 . 18 ALA H H 8.33 0.006 1 171 . 18 ALA HA H 3.98 0.006 1 172 . 18 ALA HB H 1.28 0.006 1 173 . 18 ALA N N 125.77 0.47 1 174 . 18 ALA C C 178.45 0.14 1 175 . 18 ALA CA C 52.18 0.14 1 176 . 18 ALA CB C 20.47 0.14 1 177 . 19 THR H H 8.84 0.006 1 178 . 19 THR HA H 4.37 0.006 1 179 . 19 THR HB H 4.22 0.006 1 180 . 19 THR HG2 H 1.08 0.006 1 181 . 19 THR N N 112.62 0.47 1 182 . 19 THR C C 174.23 0.14 1 183 . 19 THR CA C 61.94 0.14 1 184 . 19 THR CB C 70.53 0.14 1 185 . 19 THR CG2 C 21.51 0.14 1 186 . 20 GLN H H 8.08 0.006 1 187 . 20 GLN HA H 4.71 0.006 1 188 . 20 GLN HB2 H 2.37 0.006 1 189 . 20 GLN HB3 H 1.33 0.006 1 190 . 20 GLN HG2 H 2.21 0.006 2 191 . 20 GLN HG3 H 2.29 0.006 2 192 . 20 GLN N N 122.53 0.47 1 193 . 20 GLN C C 174.97 0.14 1 194 . 20 GLN CA C 53.10 0.14 1 195 . 20 GLN CB C 29.98 0.14 1 196 . 20 GLN CG C 33.52 0.14 1 197 . 21 PRO HA H 4.24 0.006 1 198 . 21 PRO HB2 H 2.00 0.006 2 199 . 21 PRO HB3 H 2.39 0.006 2 200 . 21 PRO HG2 H 2.02 0.006 2 201 . 21 PRO HG3 H 2.23 0.006 2 202 . 21 PRO HD2 H 3.71 0.006 2 203 . 21 PRO HD3 H 3.85 0.006 2 204 . 21 PRO C C 177.34 0.14 1 205 . 21 PRO CA C 65.51 0.14 1 206 . 21 PRO CB C 32.28 0.14 1 207 . 21 PRO CG C 27.79 0.14 1 208 . 21 PRO CD C 50.47 0.14 1 209 . 22 GLU H H 10.60 0.006 1 210 . 22 GLU HA H 4.21 0.006 1 211 . 22 GLU HB2 H 2.03 0.006 1 212 . 22 GLU HB3 H 1.83 0.006 1 213 . 22 GLU HG2 H 1.97 0.006 2 214 . 22 GLU HG3 H 2.06 0.006 2 215 . 22 GLU N N 115.40 0.47 1 216 . 22 GLU C C 175.06 0.14 1 217 . 22 GLU CA C 57.04 0.14 1 218 . 22 GLU CB C 30.06 0.14 1 219 . 22 GLU CG C 34.87 0.14 1 220 . 23 ASP H H 7.76 0.006 1 221 . 23 ASP HA H 5.30 0.006 1 222 . 23 ASP HB2 H 3.06 0.006 1 223 . 23 ASP HB3 H 2.81 0.006 1 224 . 23 ASP N N 123.11 0.47 1 225 . 23 ASP C C 177.16 0.14 1 226 . 23 ASP CA C 55.37 0.14 1 227 . 23 ASP CB C 43.23 0.14 1 228 . 24 LEU H H 9.39 0.006 1 229 . 24 LEU HA H 4.38 0.006 1 230 . 24 LEU HB2 H 1.05 0.006 1 231 . 24 LEU HB3 H 1.82 0.006 1 232 . 24 LEU HG H 1.40 0.006 1 233 . 24 LEU HD1 H 0.89 0.006 1 234 . 24 LEU HD2 H 0.60 0.006 1 235 . 24 LEU N N 125.60 0.47 1 236 . 24 LEU C C 172.42 0.14 1 237 . 24 LEU CA C 53.34 0.14 1 238 . 24 LEU CB C 43.64 0.14 1 239 . 24 LEU CG C 27.50 0.14 1 240 . 24 LEU CD1 C 23.93 0.14 1 241 . 24 LEU CD2 C 26.20 0.14 1 242 . 25 GLU H H 7.38 0.006 1 243 . 25 GLU HA H 4.56 0.006 1 244 . 25 GLU HB2 H 2.00 0.006 2 245 . 25 GLU HB3 H 1.88 0.006 2 246 . 25 GLU HG2 H 2.37 0.006 1 247 . 25 GLU HG3 H 2.37 0.006 1 248 . 25 GLU N N 120.46 0.47 1 249 . 25 GLU C C 175.84 0.14 1 250 . 25 GLU CA C 54.58 0.14 1 251 . 25 GLU CB C 32.13 0.14 1 252 . 25 GLU CG C 36.25 0.14 1 253 . 26 PHE H H 7.81 0.006 1 254 . 26 PHE HA H 4.74 0.006 1 255 . 26 PHE HB2 H 3.17 0.006 1 256 . 26 PHE HB3 H 3.17 0.006 1 257 . 26 PHE HD1 H 6.61 0.006 1 258 . 26 PHE HD2 H 6.61 0.006 1 259 . 26 PHE HE1 H 7.05 0.006 1 260 . 26 PHE HE2 H 7.05 0.006 1 261 . 26 PHE HZ H 6.57 0.006 1 262 . 26 PHE N N 116.67 0.47 1 263 . 26 PHE C C 174.24 0.14 1 264 . 26 PHE CA C 56.21 0.14 1 265 . 26 PHE CB C 39.84 0.14 1 266 . 27 GLN H H 9.12 0.006 1 267 . 27 GLN HA H 4.82 0.006 1 268 . 27 GLN HB2 H 2.04 0.006 1 269 . 27 GLN HB3 H 1.90 0.006 1 270 . 27 GLN HG2 H 2.35 0.006 1 271 . 27 GLN HG3 H 2.35 0.006 1 272 . 27 GLN N N 119.61 0.47 1 273 . 27 GLN C C 175.13 0.14 1 274 . 27 GLN CA C 53.16 0.14 1 275 . 27 GLN CB C 31.99 0.14 1 276 . 27 GLN CG C 34.34 0.14 1 277 . 28 GLU H H 8.20 0.006 1 278 . 28 GLU HA H 3.31 0.006 1 279 . 28 GLU HB2 H 1.78 0.006 1 280 . 28 GLU HB3 H 1.78 0.006 1 281 . 28 GLU N N 122.12 0.47 1 282 . 28 GLU C C 176.25 0.14 1 283 . 28 GLU CA C 57.86 0.14 1 284 . 28 GLU CB C 29.58 0.14 1 285 . 29 GLY H H 8.81 0.006 1 286 . 29 GLY HA2 H 4.37 0.006 2 287 . 29 GLY HA3 H 3.65 0.006 2 288 . 29 GLY N N 115.05 0.47 1 289 . 29 GLY C C 174.17 0.14 1 290 . 29 GLY CA C 44.74 0.14 1 291 . 30 ASP H H 8.19 0.006 1 292 . 30 ASP HA H 4.48 0.006 1 293 . 30 ASP HB2 H 2.39 0.006 2 294 . 30 ASP HB3 H 2.79 0.006 2 295 . 30 ASP N N 121.81 0.47 1 296 . 30 ASP C C 174.53 0.14 1 297 . 30 ASP CA C 55.07 0.14 1 298 . 30 ASP CB C 40.99 0.14 1 299 . 31 ILE H H 8.26 0.006 1 300 . 31 ILE HA H 4.49 0.006 1 301 . 31 ILE HB H 1.81 0.006 1 302 . 31 ILE HG12 H 1.45 0.006 1 303 . 31 ILE HG13 H 1.34 0.006 1 304 . 31 ILE HG2 H 0.72 0.006 1 305 . 31 ILE HD1 H 0.69 0.006 1 306 . 31 ILE N N 119.26 0.47 1 307 . 31 ILE C C 176.40 0.14 1 308 . 31 ILE CA C 59.14 0.14 1 309 . 31 ILE CB C 36.98 0.14 1 310 . 31 ILE CG1 C 27.22 0.14 1 311 . 31 ILE CG2 C 17.77 0.14 1 312 . 31 ILE CD1 C 10.66 0.14 1 313 . 32 ILE H H 9.23 0.006 1 314 . 32 ILE HA H 4.23 0.006 1 315 . 32 ILE HB H 1.22 0.006 1 316 . 32 ILE HG12 H 0.61 0.006 1 317 . 32 ILE HG13 H 0.19 0.006 1 318 . 32 ILE HG2 H 0.34 0.006 1 319 . 32 ILE HD1 H -0.78 0.006 1 320 . 32 ILE N N 132.14 0.47 1 321 . 32 ILE C C 174.07 0.14 1 322 . 32 ILE CA C 59.66 0.14 1 323 . 32 ILE CB C 40.89 0.14 1 324 . 32 ILE CG1 C 27.55 0.14 1 325 . 32 ILE CG2 C 18.56 0.14 1 326 . 32 ILE CD1 C 13.29 0.14 1 327 . 33 LEU H H 8.70 0.006 1 328 . 33 LEU HA H 4.87 0.006 1 329 . 33 LEU HB2 H 1.52 0.006 1 330 . 33 LEU HB3 H 1.92 0.006 1 331 . 33 LEU HG H 1.40 0.006 1 332 . 33 LEU HD1 H 0.83 0.006 1 333 . 33 LEU HD2 H 0.85 0.006 1 334 . 33 LEU N N 128.39 0.47 1 335 . 33 LEU C C 176.14 0.14 1 336 . 33 LEU CA C 53.28 0.14 1 337 . 33 LEU CB C 43.46 0.14 1 338 . 33 LEU CG C 27.46 0.14 1 339 . 33 LEU CD1 C 26.13 0.14 1 340 . 33 LEU CD2 C 25.59 0.14 1 341 . 34 VAL H H 9.09 0.006 1 342 . 34 VAL HA H 4.00 0.006 1 343 . 34 VAL HB H 2.31 0.006 1 344 . 34 VAL HG1 H 0.81 0.006 1 345 . 34 VAL HG2 H 0.97 0.006 1 346 . 34 VAL N N 127.12 0.47 1 347 . 34 VAL C C 175.62 0.14 1 348 . 34 VAL CA C 64.71 0.14 1 349 . 34 VAL CB C 31.74 0.14 1 350 . 34 VAL CG1 C 22.02 0.14 1 351 . 34 VAL CG2 C 23.16 0.14 1 352 . 35 LEU H H 9.60 0.006 1 353 . 35 LEU HA H 4.57 0.006 1 354 . 35 LEU HB2 H 1.39 0.006 1 355 . 35 LEU HB3 H 1.52 0.006 1 356 . 35 LEU HG H 1.65 0.006 1 357 . 35 LEU HD1 H 0.83 0.006 1 358 . 35 LEU HD2 H 0.83 0.006 1 359 . 35 LEU N N 128.91 0.47 1 360 . 35 LEU C C 177.21 0.14 1 361 . 35 LEU CA C 55.82 0.14 1 362 . 35 LEU CB C 44.19 0.14 1 363 . 35 LEU CG C 27.31 0.14 1 364 . 35 LEU CD1 C 22.56 0.14 1 365 . 35 LEU CD2 C 22.56 0.14 1 366 . 36 SER H H 7.75 0.006 1 367 . 36 SER HA H 4.55 0.006 1 368 . 36 SER HB2 H 3.75 0.006 2 369 . 36 SER HB3 H 3.92 0.006 2 370 . 36 SER N N 109.73 0.47 1 371 . 36 SER C C 172.03 0.14 1 372 . 36 SER CA C 57.66 0.14 1 373 . 36 SER CB C 65.55 0.14 1 374 . 37 LYS H H 8.58 0.006 1 375 . 37 LYS HA H 4.56 0.006 1 376 . 37 LYS HB2 H 1.75 0.006 2 377 . 37 LYS HB3 H 1.57 0.006 2 378 . 37 LYS HG2 H 0.98 0.006 2 379 . 37 LYS HG3 H 1.36 0.006 2 380 . 37 LYS HD2 H 1.54 0.006 2 381 . 37 LYS HD3 H 1.59 0.006 2 382 . 37 LYS HE2 H 2.72 0.006 1 383 . 37 LYS HE3 H 2.72 0.006 1 384 . 37 LYS N N 122.92 0.47 1 385 . 37 LYS C C 175.55 0.14 1 386 . 37 LYS CA C 55.86 0.14 1 387 . 37 LYS CB C 33.46 0.14 1 388 . 37 LYS CG C 25.31 0.14 1 389 . 37 LYS CD C 29.75 0.14 1 390 . 37 LYS CE C 41.72 0.14 1 391 . 38 VAL H H 8.26 0.006 1 392 . 38 VAL HA H 3.52 0.006 1 393 . 38 VAL HB H 1.75 0.006 1 394 . 38 VAL HG1 H 0.58 0.006 1 395 . 38 VAL HG2 H 0.60 0.006 1 396 . 38 VAL N N 127.64 0.47 1 397 . 38 VAL C C 175.13 0.14 1 398 . 38 VAL CA C 65.42 0.14 1 399 . 38 VAL CB C 32.01 0.14 1 400 . 38 VAL CG1 C 21.69 0.14 1 401 . 38 VAL CG2 C 22.12 0.14 1 402 . 39 ASN H H 8.16 0.006 1 403 . 39 ASN HA H 4.45 0.006 1 404 . 39 ASN HB2 H 3.48 0.006 1 405 . 39 ASN HB3 H 3.19 0.006 1 406 . 39 ASN N N 114.95 0.47 1 407 . 39 ASN C C 174.47 0.14 1 408 . 39 ASN CA C 51.71 0.14 1 409 . 39 ASN CB C 37.22 0.14 1 410 . 40 GLU H H 8.55 0.006 1 411 . 40 GLU HA H 4.05 0.006 1 412 . 40 GLU HB2 H 1.99 0.006 2 413 . 40 GLU HB3 H 2.10 0.006 2 414 . 40 GLU HG2 H 2.38 0.006 1 415 . 40 GLU HG3 H 2.38 0.006 1 416 . 40 GLU N N 113.29 0.47 1 417 . 40 GLU C C 177.50 0.14 1 418 . 40 GLU CA C 58.96 0.14 1 419 . 40 GLU CB C 29.02 0.14 1 420 . 40 GLU CG C 36.24 0.14 1 421 . 41 GLU H H 7.76 0.006 1 422 . 41 GLU HA H 4.45 0.006 1 423 . 41 GLU HB2 H 1.90 0.006 2 424 . 41 GLU HB3 H 2.19 0.006 2 425 . 41 GLU HG2 H 2.15 0.006 1 426 . 41 GLU HG3 H 2.15 0.006 1 427 . 41 GLU N N 112.98 0.47 1 428 . 41 GLU C C 176.44 0.14 1 429 . 41 GLU CA C 56.59 0.14 1 430 . 41 GLU CB C 32.84 0.14 1 431 . 41 GLU CG C 37.75 0.14 1 432 . 42 TRP H H 7.93 0.006 1 433 . 42 TRP HA H 4.87 0.006 1 434 . 42 TRP HB2 H 2.66 0.006 1 435 . 42 TRP HB3 H 2.66 0.006 1 436 . 42 TRP HE1 H 9.98 0.006 1 437 . 42 TRP HE3 H 7.07 0.006 1 438 . 42 TRP HZ2 H 7.50 0.006 1 439 . 42 TRP HZ3 H 6.92 0.006 1 440 . 42 TRP HH2 H 7.18 0.006 1 441 . 42 TRP N N 121.06 0.47 1 442 . 42 TRP C C 174.02 0.14 1 443 . 42 TRP CA C 57.31 0.14 1 444 . 42 TRP CB C 31.37 0.14 1 445 . 42 TRP NE1 N 130.84 0.47 1 446 . 43 LEU H H 8.53 0.006 1 447 . 43 LEU HA H 4.74 0.006 1 448 . 43 LEU HB2 H 1.19 0.006 1 449 . 43 LEU HB3 H 0.57 0.006 1 450 . 43 LEU HG H 1.26 0.006 1 451 . 43 LEU HD1 H 0.75 0.006 1 452 . 43 LEU HD2 H 0.87 0.006 1 453 . 43 LEU N N 121.98 0.47 1 454 . 43 LEU C C 173.13 0.14 1 455 . 43 LEU CA C 52.42 0.14 1 456 . 43 LEU CB C 45.55 0.14 1 457 . 43 LEU CG C 27.63 0.14 1 458 . 43 LEU CD1 C 26.30 0.14 1 459 . 43 LEU CD2 C 23.94 0.14 1 460 . 44 GLU H H 8.70 0.006 1 461 . 44 GLU HA H 5.21 0.006 1 462 . 44 GLU HB2 H 1.54 0.006 2 463 . 44 GLU HB3 H 2.29 0.006 2 464 . 44 GLU HG2 H 2.16 0.006 1 465 . 44 GLU HG3 H 2.16 0.006 1 466 . 44 GLU N N 119.38 0.47 1 467 . 44 GLU C C 176.78 0.14 1 468 . 44 GLU CA C 53.77 0.14 1 469 . 44 GLU CB C 33.14 0.14 1 470 . 44 GLU CG C 35.99 0.14 1 471 . 45 GLY H H 9.80 0.006 1 472 . 45 GLY HA2 H 5.34 0.006 2 473 . 45 GLY HA3 H 3.77 0.006 2 474 . 45 GLY N N 115.25 0.47 1 475 . 45 GLY C C 169.03 0.14 1 476 . 45 GLY CA C 46.13 0.14 1 477 . 46 GLU H H 9.04 0.006 1 478 . 46 GLU HA H 5.74 0.006 1 479 . 46 GLU HB2 H 1.95 0.006 2 480 . 46 GLU HB3 H 2.08 0.006 2 481 . 46 GLU HG2 H 2.03 0.006 1 482 . 46 GLU HG3 H 2.03 0.006 1 483 . 46 GLU N N 118.69 0.47 1 484 . 46 GLU C C 176.23 0.14 1 485 . 46 GLU CA C 53.63 0.14 1 486 . 46 GLU CB C 34.04 0.14 1 487 . 46 GLU CG C 36.11 0.14 1 488 . 47 SER H H 8.92 0.006 1 489 . 47 SER HA H 4.62 0.006 1 490 . 47 SER HB2 H 3.73 0.006 2 491 . 47 SER HB3 H 3.51 0.006 2 492 . 47 SER N N 119.19 0.47 1 493 . 47 SER C C 174.74 0.14 1 494 . 47 SER CA C 58.13 0.14 1 495 . 47 SER CB C 65.02 0.14 1 496 . 48 LYS H H 9.45 0.006 1 497 . 48 LYS HA H 3.91 0.006 1 498 . 48 LYS HB2 H 1.91 0.006 2 499 . 48 LYS HB3 H 1.95 0.006 2 500 . 48 LYS HG2 H 1.35 0.006 2 501 . 48 LYS HG3 H 1.55 0.006 2 502 . 48 LYS HD2 H 1.71 0.006 1 503 . 48 LYS HD3 H 1.71 0.006 1 504 . 48 LYS HE2 H 2.95 0.006 1 505 . 48 LYS HE3 H 2.95 0.006 1 506 . 48 LYS N N 127.76 0.47 1 507 . 48 LYS C C 176.36 0.14 1 508 . 48 LYS CA C 57.58 0.14 1 509 . 48 LYS CB C 30.19 0.14 1 510 . 48 LYS CG C 25.31 0.14 1 511 . 48 LYS CD C 29.39 0.14 1 512 . 48 LYS CE C 41.99 0.14 1 513 . 49 GLY H H 8.94 0.006 1 514 . 49 GLY HA2 H 4.14 0.006 2 515 . 49 GLY HA3 H 3.62 0.006 2 516 . 49 GLY N N 105.17 0.47 1 517 . 49 GLY C C 174.05 0.14 1 518 . 49 GLY CA C 45.36 0.14 1 519 . 50 LYS H H 7.97 0.006 1 520 . 50 LYS HA H 4.62 0.006 1 521 . 50 LYS HB2 H 1.89 0.006 2 522 . 50 LYS HB3 H 1.98 0.006 2 523 . 50 LYS HG2 H 1.45 0.006 2 524 . 50 LYS HG3 H 1.52 0.006 2 525 . 50 LYS HD2 H 1.75 0.006 2 526 . 50 LYS HD3 H 1.84 0.006 2 527 . 50 LYS HE2 H 3.00 0.006 2 528 . 50 LYS HE3 H 3.14 0.006 2 529 . 50 LYS N N 122.48 0.47 1 530 . 50 LYS C C 174.40 0.14 1 531 . 50 LYS CA C 54.97 0.14 1 532 . 50 LYS CB C 34.30 0.14 1 533 . 50 LYS CG C 24.98 0.14 1 534 . 50 LYS CD C 28.76 0.14 1 535 . 50 LYS CE C 41.98 0.14 1 536 . 51 VAL H H 8.03 0.006 1 537 . 51 VAL HA H 5.38 0.006 1 538 . 51 VAL HB H 1.73 0.006 1 539 . 51 VAL HG1 H 0.86 0.006 1 540 . 51 VAL HG2 H 0.84 0.006 1 541 . 51 VAL N N 118.60 0.47 1 542 . 51 VAL C C 175.69 0.14 1 543 . 51 VAL CA C 59.97 0.14 1 544 . 51 VAL CB C 35.59 0.14 1 545 . 51 VAL CG1 C 21.49 0.14 1 546 . 51 VAL CG2 C 21.38 0.14 1 547 . 52 GLY H H 8.66 0.006 1 548 . 52 GLY HA2 H 4.25 0.006 1 549 . 52 GLY HA3 H 4.40 0.006 2 550 . 52 GLY N N 112.13 0.47 1 551 . 52 GLY C C 172.63 0.14 1 552 . 52 GLY CA C 45.54 0.14 1 553 . 53 ILE H H 9.19 0.006 1 554 . 53 ILE HA H 6.07 0.006 1 555 . 53 ILE HB H 2.01 0.006 1 556 . 53 ILE HG12 H 1.77 0.006 1 557 . 53 ILE HG13 H 0.84 0.006 1 558 . 53 ILE HG2 H 0.82 0.006 1 559 . 53 ILE HD1 H 0.31 0.006 1 560 . 53 ILE N N 113.21 0.47 1 561 . 53 ILE C C 176.12 0.14 1 562 . 53 ILE CA C 59.87 0.14 1 563 . 53 ILE CB C 41.84 0.14 1 564 . 53 ILE CG1 C 25.02 0.14 1 565 . 53 ILE CG2 C 18.91 0.14 1 566 . 53 ILE CD1 C 14.87 0.14 1 567 . 54 PHE H H 8.98 0.006 1 568 . 54 PHE HA H 4.89 0.006 1 569 . 54 PHE HB2 H 2.32 0.006 1 570 . 54 PHE HB3 H 3.47 0.006 1 571 . 54 PHE HD1 H 7.01 0.006 1 572 . 54 PHE HD2 H 7.01 0.006 1 573 . 54 PHE HE1 H 6.66 0.006 1 574 . 54 PHE HE2 H 6.66 0.006 1 575 . 54 PHE N N 114.42 0.47 1 576 . 54 PHE C C 170.97 0.14 1 577 . 54 PHE CA C 55.85 0.14 1 578 . 54 PHE CB C 38.78 0.14 1 579 . 55 PRO HA H 3.94 0.006 1 580 . 55 PRO HB2 H 1.15 0.006 2 581 . 55 PRO HB3 H 1.56 0.006 2 582 . 55 PRO HG2 H 0.23 0.006 2 583 . 55 PRO HG3 H 1.10 0.006 2 584 . 55 PRO HD2 H 2.02 0.006 2 585 . 55 PRO HD3 H 2.32 0.006 2 586 . 55 PRO C C 177.46 0.14 1 587 . 55 PRO CA C 60.36 0.14 1 588 . 55 PRO CB C 31.06 0.14 1 589 . 55 PRO CG C 27.46 0.14 1 590 . 55 PRO CD C 49.63 0.14 1 591 . 56 LYS H H 8.03 0.006 1 592 . 56 LYS HA H 3.73 0.006 1 593 . 56 LYS HB2 H 1.43 0.006 2 594 . 56 LYS HB3 H 1.68 0.006 2 595 . 56 LYS HG2 H 1.26 0.006 2 596 . 56 LYS HG3 H 1.42 0.006 2 597 . 56 LYS HD2 H 1.57 0.006 2 598 . 56 LYS HD3 H 1.65 0.006 2 599 . 56 LYS HE2 H 2.92 0.006 2 600 . 56 LYS HE3 H 2.97 0.006 2 601 . 56 LYS N N 126.74 0.47 1 602 . 56 LYS C C 177.69 0.14 1 603 . 56 LYS CA C 59.34 0.14 1 604 . 56 LYS CB C 32.13 0.14 1 605 . 56 LYS CG C 24.58 0.14 1 606 . 56 LYS CD C 29.21 0.14 1 607 . 56 LYS CE C 41.59 0.14 1 608 . 57 VAL H H 8.70 0.006 1 609 . 57 VAL HA H 4.34 0.006 1 610 . 57 VAL HB H 2.28 0.006 1 611 . 57 VAL HG1 H 1.02 0.006 1 612 . 57 VAL HG2 H 0.98 0.006 1 613 . 57 VAL N N 113.62 0.47 1 614 . 57 VAL C C 175.51 0.14 1 615 . 57 VAL CA C 63.58 0.14 1 616 . 57 VAL CB C 32.02 0.14 1 617 . 57 VAL CG1 C 21.22 0.14 1 618 . 57 VAL CG2 C 19.52 0.14 1 619 . 58 PHE H H 7.97 0.006 1 620 . 58 PHE HA H 4.61 0.006 1 621 . 58 PHE HB2 H 3.50 0.006 1 622 . 58 PHE HB3 H 3.61 0.006 1 623 . 58 PHE HD1 H 7.24 0.006 1 624 . 58 PHE HD2 H 7.24 0.006 1 625 . 58 PHE HE1 H 7.26 0.006 1 626 . 58 PHE HE2 H 7.26 0.006 1 627 . 58 PHE N N 118.00 0.47 1 628 . 58 PHE C C 175.92 0.14 1 629 . 58 PHE CA C 60.23 0.14 1 630 . 58 PHE CB C 38.48 0.14 1 631 . 59 VAL H H 8.17 0.006 1 632 . 59 VAL HA H 4.92 0.006 1 633 . 59 VAL HB H 2.17 0.006 1 634 . 59 VAL HG1 H 0.53 0.006 1 635 . 59 VAL HG2 H 0.97 0.006 1 636 . 59 VAL N N 109.59 0.47 1 637 . 59 VAL C C 173.53 0.14 1 638 . 59 VAL CA C 59.74 0.14 1 639 . 59 VAL CB C 34.47 0.14 1 640 . 59 VAL CG1 C 22.22 0.14 1 641 . 59 VAL CG2 C 19.07 0.14 1 642 . 60 GLU H H 7.93 0.006 1 643 . 60 GLU HA H 4.48 0.006 1 644 . 60 GLU HB2 H 1.88 0.006 2 645 . 60 GLU HB3 H 1.95 0.006 2 646 . 60 GLU HG2 H 2.16 0.006 2 647 . 60 GLU HG3 H 2.20 0.006 2 648 . 60 GLU N N 121.37 0.47 1 649 . 60 GLU C C 174.55 0.14 1 650 . 60 GLU CA C 55.68 0.14 1 651 . 60 GLU CB C 32.58 0.14 1 652 . 60 GLU CG C 36.46 0.14 1 653 . 61 ASP H H 8.59 0.006 1 654 . 61 ASP HA H 4.62 0.006 1 655 . 61 ASP HB2 H 2.59 0.006 2 656 . 61 ASP HB3 H 2.67 0.006 2 657 . 61 ASP N N 124.83 0.47 1 658 . 61 ASP C C 176.27 0.14 1 659 . 61 ASP CA C 54.02 0.14 1 660 . 61 ASP CB C 41.45 0.14 1 661 . 62 SER H H 8.34 0.006 1 662 . 62 SER HA H 4.49 0.006 1 663 . 62 SER HB2 H 3.78 0.006 1 664 . 62 SER HB3 H 3.78 0.006 1 665 . 62 SER N N 117.68 0.47 1 666 . 62 SER C C 174.23 0.14 1 667 . 62 SER CA C 58.08 0.14 1 668 . 62 SER CB C 63.86 0.14 1 669 . 63 ALA H H 8.40 0.006 1 670 . 63 ALA HA H 4.38 0.006 1 671 . 63 ALA HB H 1.38 0.006 1 672 . 63 ALA N N 126.68 0.47 1 673 . 63 ALA C C 177.12 0.14 1 674 . 63 ALA CA C 52.51 0.14 1 675 . 63 ALA CB C 19.27 0.14 1 676 . 64 THR H H 7.69 0.006 1 677 . 64 THR HA H 4.07 0.006 1 678 . 64 THR HB H 4.17 0.006 1 679 . 64 THR HG2 H 1.12 0.006 1 680 . 64 THR N N 118.41 0.47 1 681 . 64 THR C C 179.27 0.14 1 682 . 64 THR CA C 63.19 0.14 1 683 . 64 THR CB C 70.63 0.14 1 684 . 64 THR CG2 C 21.91 0.14 1 stop_ save_ save_chemical_shift_p47_tail_peptide _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'p47phox C-terminal region, p47 tail peptide' _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 . 2 SER HA H 4.50 0.006 1 2 . 2 SER HB2 H 3.85 0.006 1 3 . 2 SER HB3 H 3.85 0.006 1 4 . 2 SER C C 174.21 0.14 1 5 . 2 SER CA C 58.40 0.14 1 6 . 2 SER CB C 63.75 0.14 1 7 . 3 LYS H H 8.33 0.006 1 8 . 3 LYS HA H 4.67 0.006 1 9 . 3 LYS HB2 H 1.81 0.006 1 10 . 3 LYS HB3 H 1.93 0.006 1 11 . 3 LYS HG2 H 1.52 0.006 1 12 . 3 LYS HG3 H 1.52 0.006 1 13 . 3 LYS HD2 H 1.70 0.006 1 14 . 3 LYS HD3 H 1.70 0.006 1 15 . 3 LYS HE2 H 2.94 0.006 1 16 . 3 LYS HE3 H 2.94 0.006 1 17 . 3 LYS N N 124.01 0.47 1 18 . 3 LYS CA C 54.33 0.14 1 19 . 3 LYS CB C 32.86 0.14 1 20 . 3 LYS CG C 24.71 0.14 1 21 . 3 LYS CD C 29.24 0.14 1 22 . 3 LYS CE C 41.84 0.14 1 23 . 4 PRO HA H 4.37 0.006 1 24 . 4 PRO HB2 H 2.20 0.006 2 25 . 4 PRO HG2 H 1.98 0.006 1 26 . 4 PRO HG3 H 1.98 0.006 1 27 . 4 PRO HD2 H 3.82 0.006 2 28 . 4 PRO HD3 H 3.63 0.006 2 29 . 4 PRO C C 175.63 0.14 1 30 . 4 PRO CA C 62.66 0.14 1 31 . 4 PRO CB C 31.85 0.14 1 32 . 4 PRO CG C 27.34 0.14 1 33 . 4 PRO CD C 50.60 0.14 1 34 . 5 GLN H H 8.18 0.006 1 35 . 5 GLN HA H 3.68 0.006 1 36 . 5 GLN HB2 H 1.79 0.006 2 37 . 5 GLN HB3 H 1.84 0.006 2 38 . 5 GLN HG2 H 2.37 0.006 2 39 . 5 GLN HG3 H 2.12 0.006 2 40 . 5 GLN N N 121.50 0.47 1 41 . 5 GLN C C 171.50 0.14 1 42 . 5 GLN CA C 53.34 0.14 1 43 . 5 GLN CB C 29.01 0.14 1 44 . 5 GLN CG C 33.30 0.14 1 45 . 6 PRO HA H 4.13 0.006 1 46 . 6 PRO HB2 H 1.85 0.006 2 47 . 6 PRO HB3 H 1.38 0.006 2 48 . 6 PRO HG2 H 0.97 0.006 2 49 . 6 PRO HG3 H 0.76 0.006 2 50 . 6 PRO HD2 H 1.94 0.006 2 51 . 6 PRO HD3 H 1.86 0.006 2 52 . 6 PRO C C 174.98 0.14 1 53 . 6 PRO CA C 61.92 0.14 1 54 . 6 PRO CB C 31.90 0.14 1 55 . 6 PRO CG C 26.59 0.14 1 56 . 6 PRO CD C 49.56 0.14 1 57 . 7 ALA H H 7.93 0.006 1 58 . 7 ALA HA H 4.21 0.006 1 59 . 7 ALA HB H 1.24 0.006 1 60 . 7 ALA N N 121.77 0.47 1 61 . 7 ALA C C 177.45 0.14 1 62 . 7 ALA CA C 51.30 0.14 1 63 . 7 ALA CB C 18.73 0.14 1 64 . 8 VAL H H 8.45 0.006 1 65 . 8 VAL HA H 4.09 0.006 1 66 . 8 VAL HB H 2.14 0.006 1 67 . 8 VAL HG1 H 1.38 0.006 1 68 . 8 VAL HG2 H 1.29 0.006 1 69 . 8 VAL N N 123.78 0.47 1 70 . 8 VAL C C 172.70 0.14 1 71 . 8 VAL CA C 61.03 0.14 1 72 . 8 VAL CB C 32.45 0.14 1 73 . 8 VAL CG1 C 21.36 0.14 1 74 . 8 VAL CG2 C 22.98 0.14 1 75 . 9 PRO HA H 4.80 0.006 1 76 . 9 PRO HB2 H 2.39 0.006 2 77 . 9 PRO HB3 H 2.03 0.006 2 78 . 9 PRO HG2 H 1.80 0.006 2 79 . 9 PRO HG3 H 1.70 0.006 2 80 . 9 PRO HD2 H 3.74 0.006 2 81 . 9 PRO HD3 H 3.23 0.006 2 82 . 9 PRO CA C 62.03 0.14 1 83 . 9 PRO CB C 30.48 0.14 1 84 . 9 PRO CG C 26.30 0.14 1 85 . 9 PRO CD C 50.86 0.14 1 86 . 10 PRO HA H 4.40 0.006 1 87 . 10 PRO HB2 H 2.34 0.006 2 88 . 10 PRO HB3 H 1.78 0.006 2 89 . 10 PRO HG2 H 2.12 0.006 2 90 . 10 PRO HG3 H 2.01 0.006 2 91 . 10 PRO HD2 H 3.77 0.006 2 92 . 10 PRO HD3 H 3.65 0.006 2 93 . 10 PRO C C 178.18 0.14 1 94 . 10 PRO CA C 62.93 0.14 1 95 . 10 PRO CB C 31.85 0.14 1 96 . 10 PRO CG C 28.11 0.14 1 97 . 10 PRO CD C 50.47 0.14 1 98 . 11 ARG H H 8.68 0.006 1 99 . 11 ARG HA H 3.60 0.006 1 100 . 11 ARG HB2 H 1.30 0.006 1 101 . 11 ARG HB3 H 1.30 0.006 1 102 . 11 ARG HG2 H 1.73 0.006 1 103 . 11 ARG HG3 H 1.73 0.006 1 104 . 11 ARG HD2 H 3.04 0.006 1 105 . 11 ARG HD3 H 3.04 0.006 1 106 . 11 ARG N N 125.49 0.47 1 107 . 11 ARG C C 172.00 0.14 1 108 . 11 ARG CA C 55.27 0.14 1 109 . 11 ARG CB C 28.74 0.14 1 110 . 11 ARG CG C 29.05 0.14 1 111 . 11 ARG CD C 42.10 0.14 1 112 . 12 PRO HA H 4.30 0.006 1 113 . 12 PRO HB3 H 1.50 0.006 2 114 . 12 PRO HG2 H 1.17 0.006 2 115 . 12 PRO HG3 H 1.01 0.006 2 116 . 12 PRO HD2 H 2.07 0.006 2 117 . 12 PRO HD3 H 0.96 0.006 2 118 . 12 PRO C C 175.19 0.14 1 119 . 12 PRO CA C 61.15 0.14 1 120 . 12 PRO CB C 31.62 0.14 1 121 . 12 PRO CG C 26.97 0.14 1 122 . 12 PRO CD C 47.33 0.14 1 123 . 13 SER H H 8.02 0.006 1 124 . 13 SER HA H 4.12 0.006 1 125 . 13 SER HB2 H 3.88 0.006 1 126 . 13 SER HB3 H 3.88 0.006 1 127 . 13 SER N N 115.90 0.47 1 128 . 13 SER C C 174.87 0.14 1 129 . 13 SER CA C 57.44 0.14 1 130 . 13 SER CB C 63.95 0.14 1 131 . 14 ALA H H 8.67 0.006 1 132 . 14 ALA HA H 3.79 0.006 1 133 . 14 ALA HB H 1.36 0.006 1 134 . 14 ALA N N 124.75 0.47 1 135 . 14 ALA C C 178.87 0.14 1 136 . 14 ALA CA C 55.30 0.14 1 137 . 14 ALA CB C 18.00 0.14 1 138 . 15 ASP H H 8.12 0.006 1 139 . 15 ASP HA H 4.15 0.006 1 140 . 15 ASP HB2 H 2.51 0.006 2 141 . 15 ASP HB3 H 2.45 0.006 2 142 . 15 ASP N N 113.54 0.47 1 143 . 15 ASP C C 178.25 0.14 1 144 . 15 ASP CA C 56.88 0.14 1 145 . 15 ASP CB C 40.25 0.14 1 146 . 16 LEU H H 7.43 0.006 1 147 . 16 LEU HA H 4.08 0.006 1 148 . 16 LEU HB2 H 1.67 0.006 2 149 . 16 LEU HB3 H 1.51 0.006 2 150 . 16 LEU HG H 1.56 0.006 1 151 . 16 LEU HD1 H 0.99 0.006 1 152 . 16 LEU HD2 H 0.90 0.006 1 153 . 16 LEU N N 120.61 0.47 1 154 . 16 LEU C C 179.08 0.14 1 155 . 16 LEU CA C 57.62 0.14 1 156 . 16 LEU CB C 41.72 0.14 1 157 . 16 LEU CG C 27.04 0.14 1 158 . 16 LEU CD1 C 25.02 0.14 1 159 . 16 LEU CD2 C 24.27 0.14 1 160 . 17 ILE H H 7.35 0.006 1 161 . 17 ILE HA H 3.55 0.006 1 162 . 17 ILE HB H 1.86 0.006 1 163 . 17 ILE HG12 H 0.61 0.006 1 164 . 17 ILE HG13 H 1.46 0.006 1 165 . 17 ILE HG2 H 0.69 0.006 1 166 . 17 ILE HD1 H 0.58 0.006 1 167 . 17 ILE N N 119.46 0.47 1 168 . 17 ILE C C 178.13 0.14 1 169 . 17 ILE CA C 65.11 0.14 1 170 . 17 ILE CB C 37.62 0.14 1 171 . 17 ILE CG1 C 29.03 0.14 1 172 . 17 ILE CG2 C 17.53 0.14 1 173 . 17 ILE CD1 C 14.22 0.14 1 174 . 18 LEU H H 8.32 0.006 1 175 . 18 LEU HA H 3.80 0.006 1 176 . 18 LEU HB2 H 1.78 0.006 1 177 . 18 LEU HB3 H 1.41 0.006 1 178 . 18 LEU HG H 1.68 0.006 1 179 . 18 LEU HD1 H 0.79 0.006 1 180 . 18 LEU HD2 H 0.79 0.006 1 181 . 18 LEU N N 117.08 0.47 1 182 . 18 LEU C C 178.29 0.14 1 183 . 18 LEU CA C 57.32 0.14 1 184 . 18 LEU CB C 41.47 0.14 1 185 . 18 LEU CG C 26.86 0.14 1 186 . 18 LEU CD1 C 24.93 0.14 1 187 . 18 LEU CD2 C 23.42 0.14 1 188 . 19 ASN H H 7.59 0.006 1 189 . 19 ASN HA H 4.65 0.006 1 190 . 19 ASN HB2 H 2.85 0.006 2 191 . 19 ASN HB3 H 2.75 0.006 2 192 . 19 ASN N N 114.27 0.47 1 193 . 19 ASN C C 177.14 0.14 1 194 . 19 ASN CA C 55.08 0.14 1 195 . 19 ASN CB C 40.43 0.14 1 196 . 20 ARG H H 7.90 0.006 1 197 . 20 ARG HA H 4.53 0.006 1 198 . 20 ARG HB2 H 1.96 0.006 2 199 . 20 ARG HB3 H 1.88 0.006 2 200 . 20 ARG HG2 H 1.93 0.006 2 201 . 20 ARG HG3 H 1.78 0.006 2 202 . 20 ARG HD2 H 3.32 0.006 1 203 . 20 ARG HD3 H 3.32 0.006 1 204 . 20 ARG N N 115.48 0.47 1 205 . 20 ARG C C 177.63 0.14 1 206 . 20 ARG CA C 56.61 0.14 1 207 . 20 ARG CB C 32.95 0.14 1 208 . 20 ARG CG C 27.20 0.14 1 209 . 20 ARG CD C 42.79 0.14 1 210 . 21 CYS H H 7.79 0.006 1 211 . 21 CYS HA H 4.66 0.006 1 212 . 21 CYS HB2 H 2.75 0.006 1 213 . 21 CYS HB3 H 3.08 0.006 1 214 . 21 CYS N N 114.70 0.47 1 215 . 21 CYS C C 173.76 0.14 1 216 . 21 CYS CA C 60.31 0.14 1 217 . 21 CYS CB C 29.46 0.14 1 218 . 22 SER H H 10.07 0.006 1 219 . 22 SER HA H 4.40 0.006 1 220 . 22 SER HB2 H 4.15 0.006 1 221 . 22 SER HB3 H 4.15 0.006 1 222 . 22 SER N N 118.82 0.47 1 223 . 22 SER C C 175.16 0.14 1 224 . 22 SER CA C 58.64 0.14 1 225 . 22 SER CB C 65.23 0.14 1 226 . 23 GLU H H 8.91 0.006 1 227 . 23 GLU HA H 3.87 0.006 1 228 . 23 GLU HB2 H 2.05 0.006 1 229 . 23 GLU HB3 H 2.05 0.006 1 230 . 23 GLU HG2 H 2.34 0.006 1 231 . 23 GLU HG3 H 2.34 0.006 1 232 . 23 GLU N N 120.61 0.47 1 233 . 23 GLU C C 177.96 0.14 1 234 . 23 GLU CA C 59.55 0.14 1 235 . 23 GLU CB C 29.24 0.14 1 236 . 23 GLU CG C 35.84 0.14 1 237 . 24 SER H H 8.00 0.006 1 238 . 24 SER HA H 4.07 0.006 1 239 . 24 SER HB2 H 3.77 0.006 1 240 . 24 SER HB3 H 3.77 0.006 1 241 . 24 SER N N 112.27 0.47 1 242 . 24 SER C C 176.19 0.14 1 243 . 24 SER CA C 61.96 0.14 1 244 . 24 SER CB C 62.75 0.14 1 245 . 25 THR H H 7.05 0.006 1 246 . 25 THR HA H 3.87 0.006 1 247 . 25 THR HB H 3.88 0.006 1 248 . 25 THR HG2 H 1.07 0.006 1 249 . 25 THR N N 119.68 0.47 1 250 . 25 THR C C 176.34 0.14 1 251 . 25 THR CA C 66.34 0.14 1 252 . 25 THR CB C 67.16 0.14 1 253 . 25 THR CG2 C 23.77 0.14 1 254 . 26 LYS H H 8.03 0.006 1 255 . 26 LYS HA H 3.54 0.006 1 256 . 26 LYS HB2 H 1.79 0.006 1 257 . 26 LYS HB3 H 1.71 0.006 1 258 . 26 LYS HG2 H 1.52 0.006 2 259 . 26 LYS HG3 H 1.19 0.006 2 260 . 26 LYS HD2 H 1.70 0.006 1 261 . 26 LYS HD3 H 1.70 0.006 1 262 . 26 LYS HE2 H 2.92 0.006 2 263 . 26 LYS HE3 H 2.85 0.006 2 264 . 26 LYS N N 119.72 0.47 1 265 . 26 LYS C C 179.22 0.14 1 266 . 26 LYS CA C 60.63 0.14 1 267 . 26 LYS CB C 31.89 0.14 1 268 . 26 LYS CG C 25.84 0.14 1 269 . 26 LYS CD C 29.58 0.14 1 270 . 26 LYS CE C 41.32 0.14 1 271 . 27 ARG H H 8.08 0.006 1 272 . 27 ARG HA H 4.06 0.006 1 273 . 27 ARG HB2 H 1.88 0.006 1 274 . 27 ARG HB3 H 1.88 0.006 1 275 . 27 ARG HG2 H 1.71 0.006 1 276 . 27 ARG HG3 H 1.71 0.006 1 277 . 27 ARG HD2 H 3.18 0.006 1 278 . 27 ARG HD3 H 3.18 0.006 1 279 . 27 ARG N N 116.24 0.47 1 280 . 27 ARG C C 177.85 0.14 1 281 . 27 ARG CA C 58.20 0.14 1 282 . 27 ARG CB C 29.97 0.14 1 283 . 27 ARG CG C 27.48 0.14 1 284 . 27 ARG CD C 43.38 0.14 1 285 . 28 LYS H H 7.49 0.006 1 286 . 28 LYS HA H 4.12 0.006 1 287 . 28 LYS HB2 H 1.97 0.006 1 288 . 28 LYS HB3 H 1.72 0.006 1 289 . 28 LYS HG2 H 1.77 0.006 2 290 . 28 LYS HG3 H 1.47 0.006 2 291 . 28 LYS HD2 H 1.84 0.006 2 292 . 28 LYS HD3 H 1.65 0.006 2 293 . 28 LYS HE2 H 3.11 0.006 1 294 . 28 LYS HE3 H 3.11 0.006 1 295 . 28 LYS N N 117.92 0.47 1 296 . 28 LYS C C 177.41 0.14 1 297 . 28 LYS CA C 59.71 0.14 1 298 . 28 LYS CB C 32.43 0.14 1 299 . 28 LYS CG C 25.06 0.14 1 300 . 28 LYS CD C 29.00 0.14 1 301 . 28 LYS CE C 42.01 0.14 1 302 . 29 LEU H H 7.31 0.006 1 303 . 29 LEU HA H 4.14 0.006 1 304 . 29 LEU HB2 H 1.63 0.006 1 305 . 29 LEU HB3 H 1.63 0.006 1 306 . 29 LEU HG H 1.64 0.006 1 307 . 29 LEU HD1 H 0.81 0.006 1 308 . 29 LEU HD2 H 0.77 0.006 1 309 . 29 LEU N N 118.49 0.47 1 310 . 29 LEU C C 177.38 0.14 1 311 . 29 LEU CA C 55.84 0.14 1 312 . 29 LEU CB C 42.24 0.14 1 313 . 29 LEU CG C 27.39 0.14 1 314 . 29 LEU CD1 C 25.29 0.14 1 315 . 29 LEU CD2 C 24.07 0.14 1 316 . 30 ALA H H 7.99 0.006 1 317 . 30 ALA HA H 4.27 0.006 1 318 . 30 ALA HB H 1.39 0.006 1 319 . 30 ALA N N 123.00 0.47 1 320 . 30 ALA C C 177.66 0.14 1 321 . 30 ALA CA C 52.64 0.14 1 322 . 30 ALA CB C 19.03 0.14 1 323 . 31 SER H H 7.96 0.006 1 324 . 31 SER HA H 4.37 0.006 1 325 . 31 SER HB2 H 4.13 0.006 1 326 . 31 SER HB3 H 4.13 0.006 1 327 . 31 SER N N 113.95 0.47 1 328 . 31 SER C C 174.09 0.14 1 329 . 31 SER CA C 58.24 0.14 1 330 . 31 SER CB C 63.98 0.14 1 331 . 32 ALA H H 8.12 0.006 1 332 . 32 ALA HA H 4.36 0.006 1 333 . 32 ALA HB H 1.38 0.006 1 334 . 32 ALA N N 126.46 0.47 1 335 . 32 ALA C C 176.63 0.14 1 336 . 32 ALA CA C 52.40 0.14 1 337 . 32 ALA CB C 19.35 0.14 1 338 . 33 VAL H H 7.56 0.006 1 339 . 33 VAL HA H 4.00 0.006 1 340 . 33 VAL HB H 2.05 0.006 1 341 . 33 VAL HG1 H 0.87 0.006 1 342 . 33 VAL HG2 H 0.84 0.006 1 343 . 33 VAL N N 122.57 0.47 1 344 . 33 VAL C C 178.70 0.14 1 345 . 33 VAL CA C 63.42 0.14 1 346 . 33 VAL CB C 33.23 0.14 1 347 . 33 VAL CG1 C 21.53 0.14 1 348 . 33 VAL CG2 C 19.96 0.14 1 stop_ save_