data_5177 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side-chain 1H, 13C, and 15N chemical shift assignments for chick cofilin ; _BMRB_accession_number 5177 _BMRB_flat_file_name bmr5177.str _Entry_type original _Submission_date 2001-10-12 _Accession_date 2001-10-16 _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 Bains Naresh P.S. . 2 Gorbatyuk Vitaliy Ya. . 3 Nosworthy Neil J. . 4 Robson Scott A. . 5 Maciejewski Mark W. . 6 'dos Remedios' Cristobal G. . 7 King Glenn F. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1033 "13C chemical shifts" 713 "15N chemical shifts" 172 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-05-06 original author . stop_ _Original_release_date 2002-05-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Letter to the Editor: Backbone and Side-chain 1H, 15N, and 13C Assignments for Chick Cofilin' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21880669 _PubMed_ID 11885570 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bains Naresh P.S. . 2 Gorbatyuk Vitaliy Ya. . 3 Nosworthy Neil J. . 4 Robson Scott A. . 5 Maciejewski Mark W. . 6 'dos Remedios' Cristobal G. . 7 King Glenn F. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 22 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 193 _Page_last 194 _Year 2002 _Details . loop_ _Keyword cofilin actin stop_ save_ ####################################### # Cited references within the entry # ####################################### save_Reference_1 _Saveframe_category citation _Citation_full ; Abe H, Endo T, Yamamoto K, Obinata T. Sequence of cDNAs encoding actin depolymerizing factor and cofilin of embryonic chicken skeletal muscle: two functionally distinct actin-regulatory proteins exhibit high structural homology. Biochemistry. 1990 Aug 14;29(32):7420-5. ; _Citation_title 'Sequence of cDNAs encoding actin depolymerizing factor and cofilin of embryonic chicken skeletal muscle: two functionally distinct actin-regulatory proteins exhibit high structural homology.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 1699599 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Abe H. . . 2 Endo T. . . 3 Yamamoto K. . . 4 Obinata T. . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 29 _Journal_issue 32 _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 7420 _Page_last 7425 _Year 1990 _Details ; Two actin-regulatory proteins of 19 and 20 kDa are involved in the regulation of actin assembly in developing chicken skeletal muscle. They are homologous with actin depolymerizing factor (ADF) and cofilin, a pH-dependent actin-modulating protein, which were originally discovered in chicken and mammalian brain, respectively. In this study, full-length cDNA clones were isolated by screening a lambda gt11 cDNA library constructed from poly(A+) RNA of embryonic chicken skeletal muscle with the antibodies specific for each protein, and their complete sequences were determined. The chicken cofilin cDNA encoded a protein of 166 amino acids, the sequence of which had over 80% identity with that of porcine brain cofilin. The amino acid sequence of the ADF was 165 amino acids and showed about 70% identity with either chicken or mammalian cofilin, in spite of the fact that ADF and cofilin are functionally distinct. Like chicken and mammalian cofilin, ADF contained a sequence similar to the nuclear transport signal sequence of SV40 large T antigen. ADF and cofilin shared a hexapeptide identical with the amino-terminal sequence of tropomyosin as well as the regions homologous to other actin-regulatory proteins, including depactin, gelsolin, and profilin. The overall nucleotide sequences and Southern blot analysis of genomic DNA, however, indicated that the two proteins were derived from different genes. ; save_ save_Reference_2 _Saveframe_category citation _Citation_full ; Delaglio F, Grzesiek S, Vuister GW, Zhu G, Pfeifer J, Bax A. NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J Biomol NMR. 1995 Nov;6(3):277-93. ; _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_Reference_3 _Saveframe_category citation _Citation_full ; Bartels, C., Xia, T.-H., Billeter, M., Guntert, P., and Wuthrich, K. (1995) J. Biomol. NMR 5, 1-10. ; _Citation_title . _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _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 . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_system_cofilin _Saveframe_category molecular_system _Mol_system_name 'chick cofilin' _Abbreviation_common cofilin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'chick cofilin' $cofilin stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'modulates actin polymerization' stop_ _Database_query_date . _Details ; The deposited protein sequence (SWISS-PROT accession number P21566) is incorrect. The NMR chemical shift assignments revealed that residues 53-54 are Lys-Gln and NOT Thr-Arg as reported in the sequence database. ; save_ ######################## # Monomeric polymers # ######################## save_cofilin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'chick cofilin' _Abbreviation_common cofilin _Molecular_mass 18662 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 166 _Mol_residue_sequence ; MASGVTVNDEVIKVFNDMKV RKSSTPEEIKKRKKAVLFCL SDDKKQIIVEEAKQILVGDI GDTVEDPYTAFVKLLPLNDC RYALYDATYETKESKKEDLV FIFWAPESAPLKSKMIYASS KDAIKKKFTGIKHEWQVNGL DDIKDRSTLGEKLGGNVVVS LEGKPL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 SER 4 GLY 5 VAL 6 THR 7 VAL 8 ASN 9 ASP 10 GLU 11 VAL 12 ILE 13 LYS 14 VAL 15 PHE 16 ASN 17 ASP 18 MET 19 LYS 20 VAL 21 ARG 22 LYS 23 SER 24 SER 25 THR 26 PRO 27 GLU 28 GLU 29 ILE 30 LYS 31 LYS 32 ARG 33 LYS 34 LYS 35 ALA 36 VAL 37 LEU 38 PHE 39 CYS 40 LEU 41 SER 42 ASP 43 ASP 44 LYS 45 LYS 46 GLN 47 ILE 48 ILE 49 VAL 50 GLU 51 GLU 52 ALA 53 LYS 54 GLN 55 ILE 56 LEU 57 VAL 58 GLY 59 ASP 60 ILE 61 GLY 62 ASP 63 THR 64 VAL 65 GLU 66 ASP 67 PRO 68 TYR 69 THR 70 ALA 71 PHE 72 VAL 73 LYS 74 LEU 75 LEU 76 PRO 77 LEU 78 ASN 79 ASP 80 CYS 81 ARG 82 TYR 83 ALA 84 LEU 85 TYR 86 ASP 87 ALA 88 THR 89 TYR 90 GLU 91 THR 92 LYS 93 GLU 94 SER 95 LYS 96 LYS 97 GLU 98 ASP 99 LEU 100 VAL 101 PHE 102 ILE 103 PHE 104 TRP 105 ALA 106 PRO 107 GLU 108 SER 109 ALA 110 PRO 111 LEU 112 LYS 113 SER 114 LYS 115 MET 116 ILE 117 TYR 118 ALA 119 SER 120 SER 121 LYS 122 ASP 123 ALA 124 ILE 125 LYS 126 LYS 127 LYS 128 PHE 129 THR 130 GLY 131 ILE 132 LYS 133 HIS 134 GLU 135 TRP 136 GLN 137 VAL 138 ASN 139 GLY 140 LEU 141 ASP 142 ASP 143 ILE 144 LYS 145 ASP 146 ARG 147 SER 148 THR 149 LEU 150 GLY 151 GLU 152 LYS 153 LEU 154 GLY 155 GLY 156 ASN 157 VAL 158 VAL 159 VAL 160 SER 161 LEU 162 GLU 163 GLY 164 LYS 165 PRO 166 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-07-28 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 1TVJ "Solution Structure Of Chick Cofilin" 100.00 166 100.00 100.00 4.92e-115 DBJ BAE27737 "unnamed protein product [Mus musculus]" 100.00 166 97.59 99.40 2.55e-112 DBJ BAE87142 "unnamed protein product [Macaca fascicularis]" 100.00 166 98.19 99.40 4.34e-113 DBJ BAG36842 "unnamed protein product [Homo sapiens]" 100.00 166 98.19 99.40 4.34e-113 GB AAA37433 "cofilin [Mus musculus]" 100.00 166 97.59 99.40 2.55e-112 GB AAA62732 "cofilin [Gallus gallus]" 100.00 166 98.80 99.40 1.73e-113 GB AAD31280 "cofilin isoform 1 [Homo sapiens]" 100.00 166 98.19 99.40 4.34e-113 GB AAD31281 "cofilin isoform 2 [Homo sapiens]" 100.00 166 98.19 99.40 4.34e-113 GB AAF64498 "cofilin 2b [Homo sapiens]" 100.00 166 98.19 99.40 4.34e-113 REF NP_001004406 "cofilin-2 [Gallus gallus]" 100.00 166 98.80 99.40 1.73e-113 REF NP_001020386 "cofilin-2 [Sus scrofa]" 100.00 166 98.19 99.40 4.34e-113 REF NP_001069622 "cofilin-2 [Bos taurus]" 100.00 166 98.19 99.40 4.34e-113 REF NP_001102452 "cofilin-2 [Rattus norvegicus]" 100.00 166 97.59 99.40 2.55e-112 REF NP_001162212 "cofilin 2 homolog [Papio anubis]" 100.00 166 97.59 98.80 1.18e-111 SP P21566 "RecName: Full=Cofilin-2; AltName: Full=Cofilin, muscle isoform [Gallus gallus]" 100.00 166 100.00 100.00 4.92e-115 SP P45591 "RecName: Full=Cofilin-2; AltName: Full=Cofilin, muscle isoform [Mus musculus]" 100.00 166 97.59 99.40 2.55e-112 SP Q148F1 "RecName: Full=Cofilin-2; AltName: Full=Cofilin, muscle isoform [Bos taurus]" 100.00 166 98.19 99.40 4.34e-113 SP Q5G6V9 "RecName: Full=Cofilin-2; AltName: Full=Cofilin, muscle isoform [Sus scrofa]" 100.00 166 98.19 99.40 4.34e-113 SP Q9Y281 "RecName: Full=Cofilin-2; AltName: Full=Cofilin, muscle isoform [Homo sapiens]" 100.00 166 98.19 99.40 4.34e-113 TPG DAA17465 "TPA: cofilin-2 [Bos taurus]" 100.00 166 98.19 99.40 4.34e-113 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Tissue $cofilin Chicken 9031 Eukaryota Metazoa Gallus gallus 'skeletal muscle' 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 $cofilin 'recombinant technology' 'E. coli' Escherichia coli XL1-Blue . ; The protein was expressed as a GST-fusion protein in E. coli, then purified using glutathione affinity chromatography. ; 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 _Isotopic_labeling $cofilin 1.0 mM '[U-99% 15N]' NaCl 50 mM . PIPES 10 mM . H2O 92.5 % . D2O 7.5 % . stop_ save_ save_Sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $cofilin 1.0 mM '[U-99% 13C; U-99% 15N]' NaCl 50 mM . PIPES 10 mM . H2O 92.5 % . D2O 7.5 % . stop_ save_ save_Sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $cofilin 1.0 mM '[U-99% 13C; U-99% 15N]' NaCl 50 mM . PIPES 10 mM . D2O 100 % . stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Saveframe_category software _Name nmrPipe _Version . loop_ _Task 'NMR data processing' stop_ _Details ; nmrPipe was run using scripts generated on our website at http://sbtools.uchc.edu/nmr/. ; _Citation_label $Reference_2 save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Task 'Spectral analysis' 'resonance assignment' stop_ _Details . _Citation_label $Reference_3 save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label . save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_3D_HCCH-COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label . save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label . save_ save_3D_HC(CO)NH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HC(CO)NH-TOCSY' _Sample_label . save_ save_3D_C(CO)NH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH-TOCSY' _Sample_label . save_ save_3D_15N-edited_NOESY-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited NOESY-HSQC' _Sample_label . save_ save_3D_13C-edited_NOESY-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited NOESY-HSQC' _Sample_label . save_ save_2D_(HB)CB(CGCD)HD_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _Sample_label . save_ save_2D_1H-1H_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label . save_ save_2D_1H-1H_DQF-COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H DQF-COSY' _Sample_label . save_ save_2D_TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HC(CO)NH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H DQF-COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details 'The sample was equilibrated for at least 30 min prior to data acquisition.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 0.05 n/a temperature 298 0.5 K 'ionic strength' 0.06 0.01 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_Cofilin_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $Sample_1 $Sample_2 $Sample_3 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'chick cofilin' _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 . 1 MET CA C 55.5 0.3 1 2 . 1 MET HA H 4.57 0.02 1 3 . 1 MET CB C 33.0 0.3 1 4 . 1 MET HB2 H 2.06 0.02 2 5 . 1 MET HB3 H 2.16 0.02 2 6 . 1 MET CG C 32.0 0.3 1 7 . 1 MET HG2 H 2.61 0.02 2 8 . 1 MET HG3 H 2.67 0.02 2 9 . 1 MET C C 176.0 0.3 1 10 . 2 ALA N N 126.0 0.2 1 11 . 2 ALA H H 8.39 0.02 1 12 . 2 ALA CA C 52.7 0.3 1 13 . 2 ALA HA H 4.39 0.02 1 14 . 2 ALA HB H 1.42 0.02 1 15 . 2 ALA CB C 19.4 0.3 1 16 . 2 ALA C C 177.7 0.3 1 17 . 3 SER N N 115.4 0.2 1 18 . 3 SER H H 8.29 0.02 1 19 . 3 SER CA C 58.5 0.3 1 20 . 3 SER HA H 4.55 0.02 1 21 . 3 SER CB C 64.1 0.3 1 22 . 3 SER HB2 H 3.93 0.02 1 23 . 3 SER HB3 H 3.93 0.02 1 24 . 3 SER C C 175.0 0.3 1 25 . 4 GLY N N 111.3 0.2 1 26 . 4 GLY H H 8.35 0.02 1 27 . 4 GLY CA C 45.3 0.3 1 28 . 4 GLY HA2 H 3.94 0.02 2 29 . 4 GLY HA3 H 4.04 0.02 2 30 . 4 GLY C C 173.6 0.3 1 31 . 5 VAL N N 120.6 0.2 1 32 . 5 VAL H H 7.83 0.02 1 33 . 5 VAL CA C 62.0 0.3 1 34 . 5 VAL HA H 4.29 0.02 1 35 . 5 VAL CB C 33.5 0.3 1 36 . 5 VAL HB H 1.82 0.02 1 37 . 5 VAL HG1 H 0.84 0.02 2 38 . 5 VAL HG2 H 0.70 0.02 2 39 . 5 VAL CG1 C 20.9 0.3 1 40 . 5 VAL CG2 C 21.5 0.3 1 41 . 5 VAL C C 176.2 0.3 1 42 . 6 THR N N 117.5 0.2 1 43 . 6 THR H H 8.09 0.02 1 44 . 6 THR CA C 60.4 0.3 1 45 . 6 THR HA H 4.61 0.02 1 46 . 6 THR CB C 71.4 0.3 1 47 . 6 THR HB H 4.26 0.02 1 48 . 6 THR HG2 H 1.24 0.02 1 49 . 6 THR CG2 C 21.7 0.3 1 50 . 6 THR C C 173.4 0.3 1 51 . 7 VAL N N 122.1 0.2 1 52 . 7 VAL H H 8.79 0.02 1 53 . 7 VAL CA C 62.1 0.3 1 54 . 7 VAL HA H 4.11 0.02 1 55 . 7 VAL CB C 32.6 0.3 1 56 . 7 VAL HB H 1.88 0.02 1 57 . 7 VAL HG1 H 0.64 0.02 2 58 . 7 VAL HG2 H 0.76 0.02 2 59 . 7 VAL CG1 C 21.2 0.3 1 60 . 7 VAL CG2 C 22.0 0.3 1 61 . 7 VAL C C 175.0 0.3 1 62 . 8 ASN N N 128.3 0.2 1 63 . 8 ASN H H 8.71 0.02 1 64 . 8 ASN CA C 55.3 0.3 1 65 . 8 ASN HA H 4.58 0.02 1 66 . 8 ASN CB C 42.1 0.3 1 67 . 8 ASN HB2 H 2.89 0.02 2 68 . 8 ASN HB3 H 3.12 0.02 2 69 . 8 ASN CG C 176.1 0.3 1 70 . 8 ASN ND2 N 115.4 0.2 1 71 . 8 ASN HD21 H 7.38 0.02 2 72 . 8 ASN HD22 H 8.22 0.02 2 73 . 8 ASN C C 176.3 0.3 1 74 . 9 ASP N N 125.8 0.2 1 75 . 9 ASP H H 9.08 0.02 1 76 . 9 ASP CA C 58.3 0.3 1 77 . 9 ASP HA H 4.46 0.02 1 78 . 9 ASP CB C 41.2 0.3 1 79 . 9 ASP HB2 H 2.75 0.02 1 80 . 9 ASP HB3 H 2.75 0.02 1 81 . 9 ASP C C 178.4 0.3 1 82 . 10 GLU N N 120.5 0.2 1 83 . 10 GLU H H 9.23 0.02 1 84 . 10 GLU CA C 59.3 0.3 1 85 . 10 GLU HA H 4.22 0.02 1 86 . 10 GLU CB C 29.6 0.3 1 87 . 10 GLU HB2 H 2.28 0.02 1 88 . 10 GLU HB3 H 2.28 0.02 1 89 . 10 GLU CG C 36.2 0.3 1 90 . 10 GLU HG2 H 2.57 0.02 1 91 . 10 GLU HG3 H 2.57 0.02 1 92 . 10 GLU C C 178.8 0.3 1 93 . 11 VAL N N 119.1 0.2 1 94 . 11 VAL H H 7.95 0.02 1 95 . 11 VAL CA C 66.1 0.3 1 96 . 11 VAL HA H 3.59 0.02 1 97 . 11 VAL CB C 31.7 0.3 1 98 . 11 VAL HB H 2.39 0.02 1 99 . 11 VAL HG1 H 1.13 0.02 2 100 . 11 VAL HG2 H 0.39 0.02 2 101 . 11 VAL CG1 C 23.7 0.3 1 102 . 11 VAL CG2 C 20.4 0.3 1 103 . 11 VAL C C 177.0 0.3 1 104 . 12 ILE N N 118.0 0.2 1 105 . 12 ILE H H 6.89 0.02 1 106 . 12 ILE CA C 64.3 0.3 1 107 . 12 ILE HA H 3.83 0.02 1 108 . 12 ILE CB C 37.9 0.3 1 109 . 12 ILE HB H 2.21 0.02 1 110 . 12 ILE HG2 H 1.19 0.02 1 111 . 12 ILE CG2 C 18.4 0.3 1 112 . 12 ILE CG1 C 29.5 0.3 1 113 . 12 ILE HG12 H 1.32 0.02 2 114 . 12 ILE HG13 H 1.68 0.02 2 115 . 12 ILE HD1 H 0.97 0.02 1 116 . 12 ILE CD1 C 13.1 0.3 1 117 . 12 ILE C C 177.7 0.3 1 118 . 13 LYS N N 121.1 0.2 1 119 . 13 LYS H H 7.80 0.02 1 120 . 13 LYS CA C 60.1 0.3 1 121 . 13 LYS HA H 4.16 0.02 1 122 . 13 LYS CB C 32.7 0.3 1 123 . 13 LYS HB2 H 2.08 0.02 1 124 . 13 LYS HB3 H 2.08 0.02 1 125 . 13 LYS CG C 25.4 0.3 1 126 . 13 LYS HG2 H 1.55 0.02 1 127 . 13 LYS HG3 H 1.55 0.02 1 128 . 13 LYS CD C 29.3 0.3 1 129 . 13 LYS HD2 H 1.79 0.02 1 130 . 13 LYS HD3 H 1.79 0.02 1 131 . 13 LYS CE C 42.4 0.3 1 132 . 13 LYS HE2 H 3.11 0.02 1 133 . 13 LYS HE3 H 3.11 0.02 1 134 . 13 LYS C C 178.8 0.3 1 135 . 14 VAL N N 119.0 0.2 1 136 . 14 VAL H H 8.13 0.02 1 137 . 14 VAL CA C 66.5 0.3 1 138 . 14 VAL HA H 3.93 0.02 1 139 . 14 VAL CB C 31.8 0.3 1 140 . 14 VAL HB H 2.52 0.02 1 141 . 14 VAL HG1 H 1.39 0.02 2 142 . 14 VAL HG2 H 1.23 0.02 2 143 . 14 VAL CG1 C 24.5 0.3 1 144 . 14 VAL CG2 C 23.2 0.3 1 145 . 14 VAL C C 178.4 0.3 1 146 . 15 PHE N N 120.5 0.2 1 147 . 15 PHE H H 7.94 0.02 1 148 . 15 PHE CA C 61.4 0.3 1 149 . 15 PHE HA H 3.92 0.02 1 150 . 15 PHE CB C 39.3 0.3 1 151 . 15 PHE HB2 H 2.78 0.02 2 152 . 15 PHE HB3 H 3.08 0.02 2 153 . 15 PHE HD1 H 6.91 0.02 1 154 . 15 PHE HD2 H 6.91 0.02 1 155 . 15 PHE HE1 H 7.19 0.02 1 156 . 15 PHE HE2 H 7.19 0.02 1 157 . 15 PHE HZ H 7.18 0.02 1 158 . 15 PHE C C 176.2 0.3 1 159 . 16 ASN N N 118.0 0.2 1 160 . 16 ASN H H 8.72 0.02 1 161 . 16 ASN CA C 56.5 0.3 1 162 . 16 ASN HA H 3.99 0.02 1 163 . 16 ASN CB C 38.2 0.3 1 164 . 16 ASN HB2 H 2.78 0.02 2 165 . 16 ASN HB3 H 2.98 0.02 2 166 . 16 ASN CG C 176.2 0.3 1 167 . 16 ASN ND2 N 111.8 0.2 1 168 . 16 ASN HD21 H 7.04 0.02 2 169 . 16 ASN HD22 H 7.61 0.02 2 170 . 16 ASN C C 178.0 0.3 1 171 . 17 ASP N N 119.6 0.2 1 172 . 17 ASP H H 8.23 0.02 1 173 . 17 ASP CA C 56.8 0.3 1 174 . 17 ASP HA H 4.53 0.02 1 175 . 17 ASP CB C 40.9 0.3 1 176 . 17 ASP HB2 H 2.73 0.02 2 177 . 17 ASP HB3 H 2.96 0.02 2 178 . 17 ASP C C 178.7 0.3 1 179 . 18 MET N N 119.0 0.2 1 180 . 18 MET H H 8.02 0.02 1 181 . 18 MET CA C 58.6 0.3 1 182 . 18 MET HA H 4.15 0.02 1 183 . 18 MET CB C 34.9 0.3 1 184 . 18 MET HB2 H 2.11 0.02 2 185 . 18 MET HB3 H 1.91 0.02 2 186 . 18 MET CG C 33.1 0.3 1 187 . 18 MET HG2 H 2.48 0.02 2 188 . 18 MET HG3 H 2.93 0.02 2 189 . 18 MET HE H 1.66 0.02 1 190 . 18 MET CE C 16.7 0.3 1 191 . 18 MET C C 177.6 0.3 1 192 . 19 LYS N N 118.0 0.2 1 193 . 19 LYS H H 8.03 0.02 1 194 . 19 LYS CA C 57.8 0.3 1 195 . 19 LYS HA H 3.85 0.02 1 196 . 19 LYS CB C 32.2 0.3 1 197 . 19 LYS HB2 H 1.34 0.02 1 198 . 19 LYS HB3 H 1.34 0.02 1 199 . 19 LYS CG C 24.6 0.3 1 200 . 19 LYS HG2 H 1.17 0.02 1 201 . 19 LYS HG3 H 1.17 0.02 1 202 . 19 LYS CD C 29.4 0.3 1 203 . 19 LYS HD2 H 1.63 0.02 1 204 . 19 LYS HD3 H 1.63 0.02 1 205 . 19 LYS CE C 41.7 0.3 1 206 . 19 LYS HE2 H 2.95 0.02 1 207 . 19 LYS HE3 H 2.95 0.02 1 208 . 19 LYS C C 177.2 0.3 1 209 . 20 VAL N N 117.5 0.2 1 210 . 20 VAL H H 7.25 0.02 1 211 . 20 VAL CA C 62.8 0.3 1 212 . 20 VAL HA H 4.00 0.02 1 213 . 20 VAL CB C 32.7 0.3 1 214 . 20 VAL HB H 2.13 0.02 1 215 . 20 VAL HG1 H 0.95 0.02 2 216 . 20 VAL HG2 H 1.03 0.02 2 217 . 20 VAL CG1 C 21.1 0.3 1 218 . 20 VAL CG2 C 21.4 0.3 1 219 . 20 VAL C C 175.6 0.3 1 220 . 21 ARG N N 123.2 0.2 1 221 . 21 ARG H H 8.06 0.02 1 222 . 21 ARG CA C 56.0 0.3 1 223 . 21 ARG HA H 4.15 0.02 1 224 . 21 ARG CB C 29.7 0.3 1 225 . 21 ARG HB2 H 1.74 0.02 1 226 . 21 ARG HB3 H 1.74 0.02 1 227 . 21 ARG CG C 27.5 0.3 1 228 . 21 ARG HG2 H 1.58 0.02 1 229 . 21 ARG HG3 H 1.58 0.02 1 230 . 21 ARG CD C 43.6 0.3 1 231 . 21 ARG HD2 H 3.08 0.02 2 232 . 21 ARG HD3 H 3.16 0.02 2 233 . 21 ARG NE N 86.1 0.2 1 234 . 21 ARG HE H 7.78 0.02 1 235 . 21 ARG C C 176.0 0.3 1 236 . 22 LYS N N 123.3 0.2 1 237 . 22 LYS H H 8.50 0.02 1 238 . 22 LYS CA C 57.2 0.3 1 239 . 22 LYS HA H 4.30 0.02 1 240 . 22 LYS CB C 33.4 0.3 1 241 . 22 LYS HB2 H 1.82 0.02 1 242 . 22 LYS HB3 H 1.82 0.02 1 243 . 22 LYS CG C 25.0 0.3 1 244 . 22 LYS HG2 H 1.42 0.02 1 245 . 22 LYS HG3 H 1.42 0.02 1 246 . 22 LYS CD C 29.3 0.3 1 247 . 22 LYS HD2 H 1.76 0.02 1 248 . 22 LYS HD3 H 1.76 0.02 1 249 . 22 LYS CE C 42.2 0.3 1 250 . 22 LYS HE2 H 3.03 0.02 1 251 . 22 LYS HE3 H 3.03 0.02 1 252 . 22 LYS C C 176.9 0.3 1 253 . 23 SER N N 117.5 0.2 1 254 . 23 SER H H 8.49 0.02 1 255 . 23 SER CA C 58.1 0.3 1 256 . 23 SER HA H 4.60 0.02 1 257 . 23 SER CB C 64.1 0.3 1 258 . 23 SER HB2 H 3.88 0.02 1 259 . 23 SER HB3 H 3.88 0.02 1 260 . 23 SER C C 174.8 0.3 1 261 . 24 SER N N 119.0 0.2 1 262 . 24 SER H H 8.68 0.02 1 263 . 24 SER CA C 59.6 0.3 1 264 . 24 SER HA H 4.62 0.02 1 265 . 24 SER CB C 64.8 0.3 1 266 . 24 SER HB2 H 3.97 0.02 1 267 . 24 SER HB3 H 3.97 0.02 1 268 . 24 SER C C 174.2 0.3 1 269 . 25 THR N N 113.4 0.2 1 270 . 25 THR H H 7.92 0.02 1 271 . 25 THR CA C 59.3 0.3 1 272 . 25 THR HA H 4.90 0.02 1 273 . 25 THR CB C 69.6 0.3 1 274 . 25 THR HB H 4.68 0.02 1 275 . 25 THR HG2 H 1.34 0.02 1 276 . 25 THR CG2 C 22.4 0.3 1 277 . 26 PRO CD C 50.6 0.3 1 278 . 26 PRO CA C 65.7 0.3 1 279 . 26 PRO HA H 4.26 0.02 1 280 . 26 PRO CB C 32.1 0.3 1 281 . 26 PRO HB2 H 2.01 0.02 2 282 . 26 PRO HB3 H 2.46 0.02 2 283 . 26 PRO CG C 28.1 0.3 1 284 . 26 PRO HG2 H 2.09 0.02 2 285 . 26 PRO HG3 H 2.29 0.02 2 286 . 26 PRO HD2 H 3.99 0.02 1 287 . 26 PRO HD3 H 3.99 0.02 1 288 . 26 PRO C C 179.1 0.3 1 289 . 27 GLU N N 116.5 0.2 1 290 . 27 GLU H H 8.50 0.02 1 291 . 27 GLU CA C 59.8 0.3 1 292 . 27 GLU HA H 4.04 0.02 1 293 . 27 GLU CB C 29.2 0.3 1 294 . 27 GLU HB2 H 1.98 0.02 2 295 . 27 GLU HB3 H 2.09 0.02 2 296 . 27 GLU CG C 36.7 0.3 1 297 . 27 GLU HG2 H 2.31 0.02 2 298 . 27 GLU HG3 H 2.42 0.02 2 299 . 27 GLU C C 178.7 0.3 1 300 . 28 GLU N N 119.0 0.2 1 301 . 28 GLU H H 7.68 0.02 1 302 . 28 GLU CA C 58.9 0.3 1 303 . 28 GLU HA H 4.01 0.02 1 304 . 28 GLU CB C 30.2 0.3 1 305 . 28 GLU HB2 H 2.05 0.02 1 306 . 28 GLU HB3 H 2.05 0.02 1 307 . 28 GLU CG C 37.1 0.3 1 308 . 28 GLU HG2 H 2.26 0.02 2 309 . 28 GLU HG3 H 2.39 0.02 2 310 . 28 GLU C C 179.8 0.3 1 311 . 29 ILE N N 120.6 0.2 1 312 . 29 ILE H H 7.98 0.02 1 313 . 29 ILE CA C 65.4 0.3 1 314 . 29 ILE HA H 3.63 0.02 1 315 . 29 ILE CB C 38.2 0.3 1 316 . 29 ILE HB H 1.91 0.02 1 317 . 29 ILE HG2 H 0.92 0.02 1 318 . 29 ILE CG2 C 17.2 0.3 1 319 . 29 ILE CG1 C 29.7 0.3 1 320 . 29 ILE HG12 H 1.08 0.02 2 321 . 29 ILE HG13 H 1.70 0.02 2 322 . 29 ILE HD1 H 0.86 0.02 1 323 . 29 ILE CD1 C 13.1 0.3 1 324 . 29 ILE C C 177.6 0.3 1 325 . 30 LYS N N 115.4 0.2 1 326 . 30 LYS H H 7.50 0.02 1 327 . 30 LYS CA C 59.1 0.3 1 328 . 30 LYS HA H 3.79 0.02 1 329 . 30 LYS CB C 33.1 0.3 1 330 . 30 LYS HB2 H 1.89 0.02 1 331 . 30 LYS HB3 H 1.89 0.02 1 332 . 30 LYS CG C 26.2 0.3 1 333 . 30 LYS HG2 H 1.48 0.02 1 334 . 30 LYS HG3 H 1.48 0.02 1 335 . 30 LYS CD C 29.7 0.3 1 336 . 30 LYS HD2 H 1.74 0.02 1 337 . 30 LYS HD3 H 1.74 0.02 1 338 . 30 LYS CE C 42.2 0.3 1 339 . 30 LYS HE2 H 2.98 0.02 1 340 . 30 LYS HE3 H 2.98 0.02 1 341 . 30 LYS C C 178.4 0.3 1 342 . 31 LYS N N 115.9 0.2 1 343 . 31 LYS H H 7.30 0.02 1 344 . 31 LYS CA C 56.0 0.3 1 345 . 31 LYS HA H 4.33 0.02 1 346 . 31 LYS CB C 33.4 0.3 1 347 . 31 LYS HB2 H 1.86 0.02 2 348 . 31 LYS HB3 H 2.04 0.02 2 349 . 31 LYS CG C 25.6 0.3 1 350 . 31 LYS HG2 H 1.52 0.02 2 351 . 31 LYS HG3 H 1.61 0.02 2 352 . 31 LYS CD C 29.4 0.3 1 353 . 31 LYS HD2 H 1.72 0.02 1 354 . 31 LYS HD3 H 1.72 0.02 1 355 . 31 LYS CE C 42.2 0.3 1 356 . 31 LYS HE2 H 3.00 0.02 1 357 . 31 LYS HE3 H 3.00 0.02 1 358 . 31 LYS C C 176.0 0.3 1 359 . 32 ARG N N 121.6 0.2 1 360 . 32 ARG H H 7.55 0.02 1 361 . 32 ARG CA C 57.0 0.3 1 362 . 32 ARG HA H 4.18 0.02 1 363 . 32 ARG CB C 30.9 0.3 1 364 . 32 ARG HB2 H 1.96 0.02 1 365 . 32 ARG HB3 H 1.96 0.02 1 366 . 32 ARG CG C 27.8 0.3 1 367 . 32 ARG HG2 H 1.77 0.02 2 368 . 32 ARG HG3 H 2.01 0.02 2 369 . 32 ARG CD C 44.2 0.3 1 370 . 32 ARG HD2 H 3.21 0.02 2 371 . 32 ARG HD3 H 3.35 0.02 2 372 . 32 ARG NE N 87.4 0.2 1 373 . 32 ARG HE H 7.63 0.02 1 374 . 32 ARG C C 176.3 0.3 1 375 . 33 LYS N N 121.7 0.2 1 376 . 33 LYS H H 8.86 0.02 1 377 . 33 LYS CA C 57.5 0.3 1 378 . 33 LYS HA H 4.39 0.02 1 379 . 33 LYS CB C 32.9 0.3 1 380 . 33 LYS HB2 H 1.58 0.02 2 381 . 33 LYS HB3 H 1.89 0.02 2 382 . 33 LYS CG C 26.2 0.3 1 383 . 33 LYS HG2 H 1.58 0.02 1 384 . 33 LYS HG3 H 1.58 0.02 1 385 . 33 LYS CD C 28.7 0.3 1 386 . 33 LYS HD2 H 1.65 0.02 1 387 . 33 LYS HD3 H 1.65 0.02 1 388 . 33 LYS CE C 43.0 0.3 1 389 . 33 LYS HE2 H 3.02 0.02 1 390 . 33 LYS HE3 H 3.02 0.02 1 391 . 33 LYS C C 176.3 0.3 1 392 . 34 LYS N N 124.7 0.2 1 393 . 34 LYS H H 9.53 0.02 1 394 . 34 LYS CA C 55.4 0.3 1 395 . 34 LYS HA H 4.41 0.02 1 396 . 34 LYS CB C 35.1 0.3 1 397 . 34 LYS HB2 H 1.39 0.02 2 398 . 34 LYS HB3 H 1.66 0.02 2 399 . 34 LYS CG C 24.7 0.3 1 400 . 34 LYS HG2 H 1.12 0.02 1 401 . 34 LYS HG3 H 1.12 0.02 1 402 . 34 LYS CD C 29.4 0.3 1 403 . 34 LYS HD2 H 1.42 0.02 1 404 . 34 LYS HD3 H 1.42 0.02 1 405 . 34 LYS C C 173.4 0.3 1 406 . 35 ALA N N 117.0 0.2 1 407 . 35 ALA H H 7.81 0.02 1 408 . 35 ALA CA C 51.2 0.3 1 409 . 35 ALA HA H 5.25 0.02 1 410 . 35 ALA HB H 1.39 0.02 1 411 . 35 ALA CB C 23.9 0.3 1 412 . 35 ALA C C 175.7 0.3 1 413 . 36 VAL N N 117.5 0.2 1 414 . 36 VAL H H 8.58 0.02 1 415 . 36 VAL CA C 61.0 0.3 1 416 . 36 VAL HA H 4.70 0.02 1 417 . 36 VAL CB C 35.8 0.3 1 418 . 36 VAL HB H 1.99 0.02 1 419 . 36 VAL HG1 H 0.86 0.02 2 420 . 36 VAL HG2 H 0.92 0.02 2 421 . 36 VAL CG1 C 21.9 0.3 1 422 . 36 VAL CG2 C 21.9 0.3 1 423 . 36 VAL C C 172.2 0.3 1 424 . 37 LEU N N 124.9 0.2 1 425 . 37 LEU H H 7.69 0.02 1 426 . 37 LEU CA C 54.6 0.3 1 427 . 37 LEU HA H 5.18 0.02 1 428 . 37 LEU CB C 45.2 0.3 1 429 . 37 LEU HB2 H 1.89 0.02 2 430 . 37 LEU HB3 H 2.20 0.02 2 431 . 37 LEU CG C 30.5 0.3 1 432 . 37 LEU HG H 1.85 0.02 1 433 . 37 LEU CD1 C 25.2 0.3 1 434 . 37 LEU CD2 C 26.4 0.3 1 435 . 37 LEU HD1 H 0.87 0.02 1 436 . 37 LEU HD2 H 0.87 0.02 1 437 . 37 LEU C C 175.6 0.3 1 438 . 38 PHE N N 117.1 0.2 1 439 . 38 PHE H H 9.21 0.02 1 440 . 38 PHE CA C 55.4 0.3 1 441 . 38 PHE HA H 5.84 0.02 1 442 . 38 PHE CB C 42.0 0.3 1 443 . 38 PHE HB2 H 3.07 0.02 2 444 . 38 PHE HB3 H 3.53 0.02 2 445 . 38 PHE HD1 H 7.31 0.02 1 446 . 38 PHE HD2 H 7.31 0.02 1 447 . 38 PHE HE1 H 7.22 0.02 1 448 . 38 PHE HE2 H 7.22 0.02 1 449 . 38 PHE HZ H 7.38 0.02 1 450 . 38 PHE C C 174.8 0.3 1 451 . 39 CYS N N 117.1 0.2 1 452 . 39 CYS H H 9.26 0.02 1 453 . 39 CYS CA C 54.3 0.3 1 454 . 39 CYS HA H 5.86 0.02 1 455 . 39 CYS CB C 33.2 0.3 1 456 . 39 CYS HB2 H 2.54 0.02 2 457 . 39 CYS HB3 H 3.54 0.02 2 458 . 39 CYS C C 172.4 0.3 1 459 . 40 LEU N N 118.6 0.2 1 460 . 40 LEU H H 7.91 0.02 1 461 . 40 LEU CA C 54.3 0.3 1 462 . 40 LEU HA H 5.11 0.02 1 463 . 40 LEU CB C 44.2 0.3 1 464 . 40 LEU HB2 H 1.63 0.02 1 465 . 40 LEU HB3 H 1.63 0.02 1 466 . 40 LEU CG C 27.7 0.3 1 467 . 40 LEU HG H 1.38 0.02 1 468 . 40 LEU HD1 H 0.56 0.02 2 469 . 40 LEU HD2 H 0.64 0.02 2 470 . 40 LEU CD1 C 23.9 0.3 1 471 . 40 LEU CD2 C 26.4 0.3 1 472 . 40 LEU C C 178.7 0.3 1 473 . 41 SER N N 118.0 0.2 1 474 . 41 SER H H 9.31 0.02 1 475 . 41 SER CA C 58.5 0.3 1 476 . 41 SER HA H 4.38 0.02 1 477 . 41 SER CB C 64.2 0.3 1 478 . 41 SER HB2 H 4.01 0.02 2 479 . 41 SER HB3 H 4.56 0.02 2 480 . 41 SER C C 176.7 0.3 1 481 . 42 ASP N N 124.7 0.2 1 482 . 42 ASP H H 9.30 0.02 1 483 . 42 ASP CA C 58.3 0.3 1 484 . 42 ASP HA H 4.49 0.02 1 485 . 42 ASP CB C 40.7 0.3 1 486 . 42 ASP HB2 H 2.78 0.02 1 487 . 42 ASP HB3 H 2.78 0.02 1 488 . 42 ASP C C 177.6 0.3 1 489 . 43 ASP N N 115.9 0.2 1 490 . 43 ASP H H 8.17 0.02 1 491 . 43 ASP CA C 53.3 0.3 1 492 . 43 ASP HA H 4.53 0.02 1 493 . 43 ASP CB C 40.0 0.3 1 494 . 43 ASP HB2 H 2.72 0.02 2 495 . 43 ASP HB3 H 3.11 0.02 2 496 . 43 ASP C C 175.9 0.3 1 497 . 44 LYS N N 113.4 0.2 1 498 . 44 LYS H H 8.17 0.02 1 499 . 44 LYS CA C 57.6 0.3 1 500 . 44 LYS HA H 3.73 0.02 1 501 . 44 LYS CB C 29.4 0.3 1 502 . 44 LYS HB2 H 2.05 0.02 2 503 . 44 LYS HB3 H 2.22 0.02 2 504 . 44 LYS CG C 25.6 0.3 1 505 . 44 LYS HG2 H 1.39 0.02 2 506 . 44 LYS HG3 H 1.54 0.02 2 507 . 44 LYS CD C 29.1 0.3 1 508 . 44 LYS HD2 H 1.77 0.02 1 509 . 44 LYS HD3 H 1.77 0.02 1 510 . 44 LYS CE C 42.5 0.3 1 511 . 44 LYS HE2 H 3.13 0.02 1 512 . 44 LYS HE3 H 3.13 0.02 1 513 . 44 LYS C C 174.9 0.3 1 514 . 45 LYS N N 114.0 0.2 1 515 . 45 LYS H H 7.65 0.02 1 516 . 45 LYS CA C 57.1 0.3 1 517 . 45 LYS HA H 4.40 0.02 1 518 . 45 LYS CB C 33.8 0.3 1 519 . 45 LYS HB2 H 1.91 0.02 1 520 . 45 LYS HB3 H 1.91 0.02 1 521 . 45 LYS CG C 25.3 0.3 1 522 . 45 LYS HG2 H 1.33 0.02 1 523 . 45 LYS HG3 H 1.33 0.02 1 524 . 45 LYS CD C 28.9 0.3 1 525 . 45 LYS HD2 H 1.63 0.02 1 526 . 45 LYS HD3 H 1.63 0.02 1 527 . 45 LYS CE C 42.2 0.3 1 528 . 45 LYS HE2 H 3.02 0.02 1 529 . 45 LYS HE3 H 3.02 0.02 1 530 . 45 LYS C C 177.0 0.3 1 531 . 46 GLN N N 116.5 0.2 1 532 . 46 GLN H H 8.06 0.02 1 533 . 46 GLN CA C 54.2 0.3 1 534 . 46 GLN HA H 5.63 0.02 1 535 . 46 GLN CB C 34.1 0.3 1 536 . 46 GLN HB2 H 1.85 0.02 2 537 . 46 GLN HB3 H 2.02 0.02 2 538 . 46 GLN CG C 34.2 0.3 1 539 . 46 GLN HG2 H 2.32 0.02 1 540 . 46 GLN HG3 H 2.32 0.02 1 541 . 46 GLN CD C 180.8 0.3 1 542 . 46 GLN NE2 N 111.8 0.2 1 543 . 46 GLN HE21 H 7.00 0.02 2 544 . 46 GLN HE22 H 7.48 0.02 2 545 . 46 GLN C C 174.5 0.3 1 546 . 47 ILE N N 122.2 0.2 1 547 . 47 ILE H H 8.52 0.02 1 548 . 47 ILE CA C 60.4 0.3 1 549 . 47 ILE HA H 4.73 0.02 1 550 . 47 ILE CB C 39.1 0.3 1 551 . 47 ILE HB H 1.67 0.02 1 552 . 47 ILE HG2 H 1.08 0.02 1 553 . 47 ILE CG2 C 18.8 0.3 1 554 . 47 ILE CG1 C 27.9 0.3 1 555 . 47 ILE HG12 H 1.54 0.02 2 556 . 47 ILE HG13 H 1.07 0.02 2 557 . 47 ILE HD1 H 0.69 0.02 1 558 . 47 ILE CD1 C 13.2 0.3 1 559 . 47 ILE C C 174.5 0.3 1 560 . 48 ILE N N 120.1 0.2 1 561 . 48 ILE H H 9.28 0.02 1 562 . 48 ILE CA C 59.8 0.3 1 563 . 48 ILE HA H 4.86 0.02 1 564 . 48 ILE CB C 42.9 0.3 1 565 . 48 ILE HB H 2.20 0.02 1 566 . 48 ILE HG2 H 0.98 0.02 1 567 . 48 ILE CG2 C 19.1 0.3 1 568 . 48 ILE CG1 C 26.6 0.3 1 569 . 48 ILE HG12 H 1.01 0.02 2 570 . 48 ILE HG13 H 1.41 0.02 2 571 . 48 ILE HD1 H 0.86 0.02 1 572 . 48 ILE CD1 C 14.2 0.3 1 573 . 48 ILE C C 175.7 0.3 1 574 . 49 VAL N N 120.6 0.2 1 575 . 49 VAL H H 8.69 0.02 1 576 . 49 VAL CA C 63.9 0.3 1 577 . 49 VAL HA H 4.26 0.02 1 578 . 49 VAL CB C 32.9 0.3 1 579 . 49 VAL HB H 2.20 0.02 1 580 . 49 VAL HG1 H 1.26 0.02 2 581 . 49 VAL HG2 H 0.94 0.02 2 582 . 49 VAL CG1 C 23.1 0.3 1 583 . 49 VAL CG2 C 21.5 0.3 1 584 . 49 VAL C C 176.0 0.3 1 585 . 50 GLU N N 132.1 0.2 1 586 . 50 GLU H H 8.72 0.02 1 587 . 50 GLU CA C 55.4 0.3 1 588 . 50 GLU HA H 4.52 0.02 1 589 . 50 GLU CB C 29.1 0.3 1 590 . 50 GLU HB2 H 1.54 0.02 2 591 . 50 GLU HB3 H 2.37 0.02 2 592 . 50 GLU CG C 37.2 0.3 1 593 . 50 GLU HG2 H 2.17 0.02 2 594 . 50 GLU HG3 H 2.29 0.02 2 595 . 50 GLU C C 175.9 0.3 1 596 . 51 GLU N N 127.8 0.2 1 597 . 51 GLU H H 7.96 0.02 1 598 . 51 GLU CA C 59.5 0.3 1 599 . 51 GLU HA H 3.87 0.02 1 600 . 51 GLU CB C 30.3 0.3 1 601 . 51 GLU HB2 H 2.08 0.02 1 602 . 51 GLU HB3 H 2.08 0.02 1 603 . 51 GLU CG C 36.3 0.3 1 604 . 51 GLU HG2 H 2.33 0.02 1 605 . 51 GLU HG3 H 2.33 0.02 1 606 . 51 GLU C C 176.7 0.3 1 607 . 52 ALA N N 118.6 0.2 1 608 . 52 ALA H H 8.71 0.02 1 609 . 52 ALA CA C 53.7 0.3 1 610 . 52 ALA HA H 4.28 0.02 1 611 . 52 ALA HB H 1.57 0.02 1 612 . 52 ALA CB C 18.9 0.3 1 613 . 52 ALA C C 177.9 0.3 1 614 . 53 LYS N N 120.6 0.2 1 615 . 53 LYS H H 7.82 0.02 1 616 . 53 LYS CA C 53.1 0.3 1 617 . 53 LYS HA H 4.69 0.02 1 618 . 53 LYS CB C 32.9 0.3 1 619 . 53 LYS HB2 H 1.62 0.02 2 620 . 53 LYS HB3 H 2.04 0.02 2 621 . 53 LYS CG C 23.8 0.3 1 622 . 53 LYS HG2 H 1.24 0.02 2 623 . 53 LYS HG3 H 1.52 0.02 2 624 . 53 LYS CD C 29.1 0.3 1 625 . 53 LYS HD2 H 1.79 0.02 1 626 . 53 LYS HD3 H 1.79 0.02 1 627 . 53 LYS CE C 42.5 0.3 1 628 . 53 LYS HE2 H 2.98 0.02 1 629 . 53 LYS HE3 H 2.98 0.02 1 630 . 53 LYS C C 172.4 0.3 1 631 . 54 GLN N N 115.4 0.2 1 632 . 54 GLN H H 7.51 0.02 1 633 . 54 GLN CA C 53.9 0.3 1 634 . 54 GLN HA H 5.07 0.02 1 635 . 54 GLN CB C 32.2 0.3 1 636 . 54 GLN HB2 H 2.06 0.02 2 637 . 54 GLN HB3 H 2.19 0.02 2 638 . 54 GLN CG C 32.6 0.3 1 639 . 54 GLN HG2 H 2.23 0.02 2 640 . 54 GLN HG3 H 2.43 0.02 2 641 . 54 GLN CD C 180.1 0.3 1 642 . 54 GLN NE2 N 110.1 0.2 1 643 . 54 GLN HE21 H 7.03 0.02 2 644 . 54 GLN HE22 H 7.64 0.02 2 645 . 54 GLN C C 174.6 0.3 1 646 . 55 ILE N N 119.6 0.2 1 647 . 55 ILE H H 8.68 0.02 1 648 . 55 ILE CA C 59.5 0.3 1 649 . 55 ILE HA H 4.51 0.02 1 650 . 55 ILE CB C 41.1 0.3 1 651 . 55 ILE HB H 1.71 0.02 1 652 . 55 ILE HG2 H 1.04 0.02 1 653 . 55 ILE CG2 C 17.2 0.3 1 654 . 55 ILE CG1 C 27.2 0.3 1 655 . 55 ILE HG12 H 1.38 0.02 2 656 . 55 ILE HG13 H 1.57 0.02 2 657 . 55 ILE HD1 H 0.91 0.02 1 658 . 55 ILE CD1 C 13.2 0.3 1 659 . 55 ILE C C 175.2 0.3 1 660 . 56 LEU N N 129.9 0.2 1 661 . 56 LEU H H 9.42 0.02 1 662 . 56 LEU CA C 53.5 0.3 1 663 . 56 LEU HA H 5.09 0.02 1 664 . 56 LEU CB C 42.3 0.3 1 665 . 56 LEU HB2 H 1.76 0.02 1 666 . 56 LEU HB3 H 1.76 0.02 1 667 . 56 LEU CG C 27.5 0.3 1 668 . 56 LEU HG H 1.82 0.02 1 669 . 56 LEU HD1 H 0.99 0.02 2 670 . 56 LEU HD2 H 0.86 0.02 2 671 . 56 LEU CD1 C 25.6 0.3 1 672 . 56 LEU CD2 C 23.3 0.3 1 673 . 56 LEU C C 178.4 0.3 1 674 . 57 VAL N N 124.2 0.2 1 675 . 57 VAL H H 9.27 0.02 1 676 . 57 VAL CA C 67.3 0.3 1 677 . 57 VAL HA H 3.55 0.02 1 678 . 57 VAL CB C 31.1 0.3 1 679 . 57 VAL HB H 2.37 0.02 1 680 . 57 VAL CG1 C 21.5 0.3 1 681 . 57 VAL CG2 C 24.7 0.3 1 682 . 57 VAL HG1 H 0.92 0.02 1 683 . 57 VAL HG2 H 0.92 0.02 1 684 . 57 VAL C C 179.8 0.3 1 685 . 58 GLY N N 105.1 0.2 1 686 . 58 GLY H H 8.68 0.02 1 687 . 58 GLY CA C 46.3 0.3 1 688 . 58 GLY HA2 H 4.08 0.02 2 689 . 58 GLY HA3 H 3.96 0.02 2 690 . 58 GLY C C 174.1 0.3 1 691 . 59 ASP N N 118.5 0.2 1 692 . 59 ASP H H 7.79 0.02 1 693 . 59 ASP CA C 56.5 0.3 1 694 . 59 ASP HA H 4.73 0.02 1 695 . 59 ASP CB C 41.6 0.3 1 696 . 59 ASP HB2 H 2.92 0.02 1 697 . 59 ASP HB3 H 2.92 0.02 1 698 . 59 ASP C C 178.7 0.3 1 699 . 60 ILE N N 122.6 0.2 1 700 . 60 ILE H H 7.77 0.02 1 701 . 60 ILE CA C 63.2 0.3 1 702 . 60 ILE HA H 4.13 0.02 1 703 . 60 ILE CB C 37.2 0.3 1 704 . 60 ILE HB H 2.14 0.02 1 705 . 60 ILE HG2 H 1.03 0.02 1 706 . 60 ILE CG2 C 17.4 0.3 1 707 . 60 ILE CG1 C 28.1 0.3 1 708 . 60 ILE HG12 H 0.83 0.02 2 709 . 60 ILE HG13 H 1.94 0.02 2 710 . 60 ILE HD1 H 1.05 0.02 1 711 . 60 ILE CD1 C 14.4 0.3 1 712 . 60 ILE C C 177.3 0.3 1 713 . 61 GLY N N 117.5 0.2 1 714 . 61 GLY H H 9.01 0.02 1 715 . 61 GLY CA C 45.4 0.3 1 716 . 61 GLY HA2 H 4.43 0.02 2 717 . 61 GLY HA3 H 3.87 0.02 2 718 . 61 GLY C C 173.2 0.3 1 719 . 62 ASP N N 120.6 0.2 1 720 . 62 ASP H H 8.02 0.02 1 721 . 62 ASP CA C 54.8 0.3 1 722 . 62 ASP HA H 4.96 0.02 1 723 . 62 ASP CB C 42.0 0.3 1 724 . 62 ASP HB2 H 2.76 0.02 2 725 . 62 ASP HB3 H 2.86 0.02 2 726 . 62 ASP C C 175.6 0.3 1 727 . 63 THR N N 108.2 0.2 1 728 . 63 THR H H 7.79 0.02 1 729 . 63 THR CA C 62.2 0.3 1 730 . 63 THR HA H 4.43 0.02 1 731 . 63 THR CB C 70.2 0.3 1 732 . 63 THR HB H 4.40 0.02 1 733 . 63 THR HG2 H 1.30 0.02 1 734 . 63 THR CG2 C 22.1 0.3 1 735 . 63 THR C C 175.0 0.3 1 736 . 64 VAL N N 121.6 0.2 1 737 . 64 VAL H H 7.82 0.02 1 738 . 64 VAL CA C 61.0 0.3 1 739 . 64 VAL HA H 4.32 0.02 1 740 . 64 VAL CB C 34.2 0.3 1 741 . 64 VAL HB H 1.82 0.02 1 742 . 64 VAL HG1 H 0.95 0.02 2 743 . 64 VAL HG2 H 0.81 0.02 2 744 . 64 VAL CG1 C 21.2 0.3 1 745 . 64 VAL CG2 C 21.5 0.3 1 746 . 64 VAL C C 174.8 0.3 1 747 . 65 GLU N N 127.8 0.2 1 748 . 65 GLU H H 8.64 0.02 1 749 . 65 GLU CA C 57.7 0.3 1 750 . 65 GLU HA H 4.42 0.02 1 751 . 65 GLU CB C 30.2 0.3 1 752 . 65 GLU HB2 H 2.07 0.02 1 753 . 65 GLU HB3 H 2.07 0.02 1 754 . 65 GLU CG C 36.3 0.3 1 755 . 65 GLU HG2 H 2.35 0.02 1 756 . 65 GLU HG3 H 2.35 0.02 1 757 . 65 GLU C C 175.7 0.3 1 758 . 66 ASP N N 118.1 0.2 1 759 . 66 ASP H H 7.92 0.02 1 760 . 66 ASP CA C 50.4 0.3 1 761 . 66 ASP HA H 5.31 0.02 1 762 . 66 ASP CB C 43.2 0.3 1 763 . 66 ASP HB2 H 2.81 0.02 2 764 . 66 ASP HB3 H 3.06 0.02 2 765 . 67 PRO CD C 51.0 0.3 1 766 . 67 PRO CA C 64.7 0.3 1 767 . 67 PRO HA H 4.27 0.02 1 768 . 67 PRO CB C 32.4 0.3 1 769 . 67 PRO HB2 H 2.12 0.02 2 770 . 67 PRO HB3 H 2.21 0.02 2 771 . 67 PRO CG C 27.1 0.3 1 772 . 67 PRO HG2 H 2.25 0.02 2 773 . 67 PRO HG3 H 2.36 0.02 2 774 . 67 PRO HD2 H 3.90 0.02 2 775 . 67 PRO HD3 H 4.37 0.02 2 776 . 67 PRO C C 176.2 0.3 1 777 . 68 TYR N N 120.7 0.2 1 778 . 68 TYR H H 8.11 0.02 1 779 . 68 TYR CA C 63.1 0.3 1 780 . 68 TYR HA H 4.32 0.02 1 781 . 68 TYR CB C 38.9 0.3 1 782 . 68 TYR HB2 H 3.10 0.02 2 783 . 68 TYR HB3 H 3.24 0.02 2 784 . 68 TYR HD1 H 6.70 0.02 1 785 . 68 TYR HD2 H 6.70 0.02 1 786 . 68 TYR HE1 H 6.56 0.02 1 787 . 68 TYR HE2 H 6.56 0.02 1 788 . 68 TYR C C 177.3 0.3 1 789 . 69 THR N N 114.4 0.2 1 790 . 69 THR H H 7.76 0.02 1 791 . 69 THR CA C 66.2 0.3 1 792 . 69 THR HA H 3.77 0.02 1 793 . 69 THR CB C 68.9 0.3 1 794 . 69 THR HB H 4.24 0.02 1 795 . 69 THR HG2 H 1.38 0.02 1 796 . 69 THR CG2 C 22.5 0.3 1 797 . 69 THR C C 176.9 0.3 1 798 . 70 ALA N N 122.1 0.2 1 799 . 70 ALA H H 7.91 0.02 1 800 . 70 ALA CA C 55.1 0.3 1 801 . 70 ALA HA H 4.03 0.02 1 802 . 70 ALA HB H 1.54 0.02 1 803 . 70 ALA CB C 19.5 0.3 1 804 . 70 ALA C C 179.3 0.3 1 805 . 71 PHE N N 120.2 0.2 1 806 . 71 PHE H H 7.91 0.02 1 807 . 71 PHE CA C 59.8 0.3 1 808 . 71 PHE HA H 4.05 0.02 1 809 . 71 PHE CB C 38.5 0.3 1 810 . 71 PHE HB2 H 3.16 0.02 2 811 . 71 PHE HB3 H 3.29 0.02 2 812 . 71 PHE HD1 H 6.63 0.02 1 813 . 71 PHE HD2 H 6.63 0.02 1 814 . 71 PHE HE1 H 7.13 0.02 1 815 . 71 PHE HE2 H 7.13 0.02 1 816 . 71 PHE HZ H 6.42 0.02 1 817 . 71 PHE C C 176.0 0.3 1 818 . 72 VAL N N 119.0 0.2 1 819 . 72 VAL H H 7.64 0.02 1 820 . 72 VAL CA C 66.2 0.3 1 821 . 72 VAL HA H 2.48 0.02 1 822 . 72 VAL CB C 31.2 0.3 1 823 . 72 VAL HB H 1.85 0.02 1 824 . 72 VAL CG1 C 21.9 0.3 1 825 . 72 VAL CG2 C 23.2 0.3 1 826 . 72 VAL HG1 H 0.52 0.02 1 827 . 72 VAL HG2 H 0.52 0.02 1 828 . 72 VAL C C 178.6 0.3 1 829 . 73 LYS N N 116.0 0.2 1 830 . 73 LYS H H 7.21 0.02 1 831 . 73 LYS CA C 57.9 0.3 1 832 . 73 LYS HA H 3.87 0.02 1 833 . 73 LYS CB C 32.8 0.3 1 834 . 73 LYS HB2 H 1.85 0.02 1 835 . 73 LYS HB3 H 1.85 0.02 1 836 . 73 LYS CG C 25.6 0.3 1 837 . 73 LYS HG2 H 1.47 0.02 1 838 . 73 LYS HG3 H 1.47 0.02 1 839 . 73 LYS CD C 29.3 0.3 1 840 . 73 LYS HD2 H 1.61 0.02 1 841 . 73 LYS HD3 H 1.61 0.02 1 842 . 73 LYS CE C 42.1 0.3 1 843 . 73 LYS HE2 H 2.98 0.02 1 844 . 73 LYS HE3 H 2.98 0.02 1 845 . 73 LYS C C 177.6 0.3 1 846 . 74 LEU N N 118.2 0.2 1 847 . 74 LEU H H 7.53 0.02 1 848 . 74 LEU CA C 55.7 0.3 1 849 . 74 LEU HA H 4.00 0.02 1 850 . 74 LEU CB C 43.2 0.3 1 851 . 74 LEU HB2 H 1.24 0.02 2 852 . 74 LEU HB3 H 1.89 0.02 2 853 . 74 LEU CG C 25.3 0.3 1 854 . 74 LEU HG H 2.12 0.02 1 855 . 74 LEU HD1 H 0.79 0.02 2 856 . 74 LEU HD2 H 0.75 0.02 2 857 . 74 LEU CD1 C 22.6 0.3 1 858 . 74 LEU CD2 C 25.3 0.3 1 859 . 74 LEU C C 177.6 0.3 1 860 . 75 LEU N N 118.5 0.2 1 861 . 75 LEU H H 6.65 0.02 1 862 . 75 LEU CA C 52.6 0.3 1 863 . 75 LEU HA H 3.64 0.02 1 864 . 75 LEU CB C 38.5 0.3 1 865 . 75 LEU HB2 H -0.89 0.02 2 866 . 75 LEU HB3 H 0.64 0.02 2 867 . 75 LEU CG C 24.3 0.3 1 868 . 75 LEU HG H 0.75 0.02 1 869 . 75 LEU HD1 H -0.14 0.02 2 870 . 75 LEU HD2 H -0.59 0.02 2 871 . 75 LEU CD1 C 21.3 0.3 1 872 . 75 LEU CD2 C 24.1 0.3 1 873 . 76 PRO CD C 50.3 0.3 1 874 . 76 PRO CA C 61.9 0.3 1 875 . 76 PRO HA H 4.59 0.02 1 876 . 76 PRO CB C 31.6 0.3 1 877 . 76 PRO HB2 H 2.09 0.02 2 878 . 76 PRO HB3 H 2.27 0.02 2 879 . 76 PRO CG C 26.9 0.3 1 880 . 76 PRO HG2 H 1.92 0.02 2 881 . 76 PRO HG3 H 2.48 0.02 2 882 . 76 PRO HD2 H 3.31 0.02 2 883 . 76 PRO HD3 H 3.85 0.02 2 884 . 76 PRO C C 177.7 0.3 1 885 . 77 LEU N N 122.1 0.2 1 886 . 77 LEU H H 8.73 0.02 1 887 . 77 LEU CA C 57.1 0.3 1 888 . 77 LEU HA H 4.33 0.02 1 889 . 77 LEU CB C 41.3 0.3 1 890 . 77 LEU HB2 H 1.59 0.02 2 891 . 77 LEU HB3 H 1.72 0.02 2 892 . 77 LEU CG C 27.8 0.3 1 893 . 77 LEU HG H 1.88 0.02 1 894 . 77 LEU CD1 C 25.4 0.3 1 895 . 77 LEU CD2 C 23.2 0.3 1 896 . 77 LEU HD1 H 1.04 0.02 1 897 . 77 LEU HD2 H 1.04 0.02 1 898 . 77 LEU C C 177.0 0.3 1 899 . 78 ASN N N 111.4 0.2 1 900 . 78 ASN H H 7.98 0.02 1 901 . 78 ASN CA C 51.2 0.3 1 902 . 78 ASN HA H 4.73 0.02 1 903 . 78 ASN CB C 39.1 0.3 1 904 . 78 ASN HB2 H 2.81 0.02 2 905 . 78 ASN HB3 H 2.98 0.02 2 906 . 78 ASN CG C 178.1 0.3 1 907 . 78 ASN ND2 N 111.8 0.2 1 908 . 78 ASN HD21 H 6.85 0.02 2 909 . 78 ASN HD22 H 7.57 0.02 2 910 . 78 ASN C C 174.1 0.3 1 911 . 79 ASP N N 114.9 0.2 1 912 . 79 ASP H H 7.39 0.02 1 913 . 79 ASP CA C 52.9 0.3 1 914 . 79 ASP HA H 5.00 0.02 1 915 . 79 ASP CB C 43.9 0.3 1 916 . 79 ASP HB2 H 2.70 0.02 2 917 . 79 ASP HB3 H 2.41 0.02 2 918 . 79 ASP C C 173.2 0.3 1 919 . 80 CYS N N 115.4 0.2 1 920 . 80 CYS H H 7.63 0.02 1 921 . 80 CYS CA C 57.6 0.3 1 922 . 80 CYS HA H 4.63 0.02 1 923 . 80 CYS CB C 29.2 0.3 1 924 . 80 CYS HB2 H 1.53 0.02 2 925 . 80 CYS HB3 H 2.38 0.02 2 926 . 80 CYS C C 174.1 0.3 1 927 . 81 ARG N N 116.5 0.2 1 928 . 81 ARG H H 9.06 0.02 1 929 . 81 ARG CA C 54.2 0.3 1 930 . 81 ARG HA H 4.74 0.02 1 931 . 81 ARG CB C 38.4 0.3 1 932 . 81 ARG HB2 H 1.78 0.02 2 933 . 81 ARG HB3 H 2.33 0.02 2 934 . 81 ARG CG C 29.5 0.3 1 935 . 81 ARG HG2 H 1.48 0.02 1 936 . 81 ARG HG3 H 1.48 0.02 1 937 . 81 ARG CD C 43.5 0.3 1 938 . 81 ARG HD2 H 3.16 0.02 1 939 . 81 ARG HD3 H 3.16 0.02 1 940 . 81 ARG NE N 84.1 0.2 1 941 . 81 ARG HE H 9.93 0.02 1 942 . 81 ARG C C 175.9 0.3 1 943 . 82 TYR N N 116.4 0.2 1 944 . 82 TYR H H 8.23 0.02 1 945 . 82 TYR CA C 55.4 0.3 1 946 . 82 TYR HA H 6.16 0.02 1 947 . 82 TYR CB C 41.6 0.3 1 948 . 82 TYR HB2 H 3.26 0.02 2 949 . 82 TYR HB3 H 3.70 0.02 2 950 . 82 TYR HD1 H 7.09 0.02 1 951 . 82 TYR HD2 H 7.09 0.02 1 952 . 82 TYR HE1 H 6.20 0.02 1 953 . 82 TYR HE2 H 6.20 0.02 1 954 . 82 TYR C C 175.0 0.3 1 955 . 83 ALA N N 122.1 0.2 1 956 . 83 ALA H H 9.57 0.02 1 957 . 83 ALA CA C 51.7 0.3 1 958 . 83 ALA HA H 5.69 0.02 1 959 . 83 ALA HB H 1.65 0.02 1 960 . 83 ALA CB C 23.9 0.3 1 961 . 83 ALA C C 176.3 0.3 1 962 . 84 LEU N N 118.6 0.2 1 963 . 84 LEU H H 8.51 0.02 1 964 . 84 LEU CA C 53.9 0.3 1 965 . 84 LEU HA H 5.63 0.02 1 966 . 84 LEU CB C 46.6 0.3 1 967 . 84 LEU HB2 H 1.43 0.02 2 968 . 84 LEU HB3 H 1.84 0.02 2 969 . 84 LEU CG C 27.8 0.3 1 970 . 84 LEU HG H 1.96 0.02 1 971 . 84 LEU HD1 H 1.15 0.02 2 972 . 84 LEU HD2 H 1.02 0.02 2 973 . 84 LEU CD1 C 24.5 0.3 1 974 . 84 LEU CD2 C 27.2 0.3 1 975 . 84 LEU C C 174.6 0.3 1 976 . 85 TYR N N 123.2 0.2 1 977 . 85 TYR H H 8.78 0.02 1 978 . 85 TYR CA C 57.1 0.3 1 979 . 85 TYR HA H 4.59 0.02 1 980 . 85 TYR CB C 42.8 0.3 1 981 . 85 TYR HB2 H 1.96 0.02 2 982 . 85 TYR HB3 H 2.68 0.02 2 983 . 85 TYR HD1 H 6.32 0.02 1 984 . 85 TYR HD2 H 6.32 0.02 1 985 . 85 TYR HE1 H 6.58 0.02 1 986 . 85 TYR HE2 H 6.58 0.02 1 987 . 85 TYR C C 173.2 0.3 1 988 . 86 ASP N N 128.9 0.2 1 989 . 86 ASP H H 8.02 0.02 1 990 . 86 ASP CA C 52.6 0.3 1 991 . 86 ASP HA H 4.93 0.02 1 992 . 86 ASP CB C 40.4 0.3 1 993 . 86 ASP HB2 H 2.97 0.02 2 994 . 86 ASP HB3 H 2.02 0.02 2 995 . 86 ASP C C 173.5 0.3 1 996 . 87 ALA N N 128.3 0.2 1 997 . 87 ALA H H 8.83 0.02 1 998 . 87 ALA CA C 51.8 0.3 1 999 . 87 ALA HA H 4.76 0.02 1 1000 . 87 ALA HB H 1.51 0.02 1 1001 . 87 ALA CB C 20.6 0.3 1 1002 . 87 ALA C C 177.3 0.3 1 1003 . 88 THR N N 120.1 0.2 1 1004 . 88 THR H H 8.40 0.02 1 1005 . 88 THR CA C 62.3 0.3 1 1006 . 88 THR HA H 5.09 0.02 1 1007 . 88 THR CB C 69.8 0.3 1 1008 . 88 THR HB H 4.24 0.02 1 1009 . 88 THR HG2 H 1.25 0.02 1 1010 . 88 THR CG2 C 22.6 0.3 1 1011 . 88 THR C C 173.4 0.3 1 1012 . 89 TYR N N 124.7 0.2 1 1013 . 89 TYR H H 9.08 0.02 1 1014 . 89 TYR CA C 55.9 0.3 1 1015 . 89 TYR HA H 5.52 0.02 1 1016 . 89 TYR CB C 39.4 0.3 1 1017 . 89 TYR HB2 H 3.08 0.02 2 1018 . 89 TYR HB3 H 3.41 0.02 2 1019 . 89 TYR HD1 H 6.76 0.02 1 1020 . 89 TYR HD2 H 6.76 0.02 1 1021 . 89 TYR HE1 H 6.54 0.02 1 1022 . 89 TYR HE2 H 6.54 0.02 1 1023 . 89 TYR C C 172.5 0.3 1 1024 . 90 GLU N N 117.5 0.2 1 1025 . 90 GLU H H 8.24 0.02 1 1026 . 90 GLU CA C 55.1 0.3 1 1027 . 90 GLU HA H 5.18 0.02 1 1028 . 90 GLU CB C 33.5 0.3 1 1029 . 90 GLU HB2 H 1.90 0.02 2 1030 . 90 GLU HB3 H 2.16 0.02 2 1031 . 90 GLU CG C 36.6 0.3 1 1032 . 90 GLU HG2 H 2.19 0.02 1 1033 . 90 GLU HG3 H 2.19 0.02 1 1034 . 90 GLU C C 176.9 0.3 1 1035 . 91 THR N N 114.4 0.2 1 1036 . 91 THR H H 8.76 0.02 1 1037 . 91 THR CA C 59.5 0.3 1 1038 . 91 THR HA H 5.44 0.02 1 1039 . 91 THR CB C 71.6 0.3 1 1040 . 91 THR HB H 4.79 0.02 1 1041 . 91 THR HG2 H 1.35 0.02 1 1042 . 91 THR CG2 C 22.1 0.3 1 1043 . 91 THR C C 174.8 0.3 1 1044 . 92 LYS N N 118.0 0.2 1 1045 . 92 LYS H H 8.82 0.02 1 1046 . 92 LYS CA C 59.3 0.3 1 1047 . 92 LYS HA H 4.12 0.02 1 1048 . 92 LYS CB C 32.7 0.3 1 1049 . 92 LYS HB2 H 1.95 0.02 1 1050 . 92 LYS HB3 H 1.95 0.02 1 1051 . 92 LYS CG C 25.6 0.3 1 1052 . 92 LYS HG2 H 1.56 0.02 1 1053 . 92 LYS HG3 H 1.56 0.02 1 1054 . 92 LYS CD C 29.5 0.3 1 1055 . 92 LYS HD2 H 1.78 0.02 1 1056 . 92 LYS HD3 H 1.78 0.02 1 1057 . 92 LYS CE C 42.2 0.3 1 1058 . 92 LYS HE2 H 3.11 0.02 1 1059 . 92 LYS HE3 H 3.11 0.02 1 1060 . 92 LYS C C 177.0 0.3 1 1061 . 93 GLU N N 114.4 0.2 1 1062 . 93 GLU H H 8.03 0.02 1 1063 . 93 GLU CA C 57.4 0.3 1 1064 . 93 GLU HA H 4.45 0.02 1 1065 . 93 GLU CB C 32.0 0.3 1 1066 . 93 GLU HB2 H 1.98 0.02 2 1067 . 93 GLU HB3 H 2.07 0.02 2 1068 . 93 GLU CG C 36.6 0.3 1 1069 . 93 GLU HG2 H 2.28 0.02 1 1070 . 93 GLU HG3 H 2.28 0.02 1 1071 . 93 GLU C C 176.6 0.3 1 1072 . 94 SER N N 112.4 0.2 1 1073 . 94 SER H H 7.55 0.02 1 1074 . 94 SER CA C 58.3 0.3 1 1075 . 94 SER HA H 4.72 0.02 1 1076 . 94 SER CB C 66.1 0.3 1 1077 . 94 SER HB2 H 3.76 0.02 1 1078 . 94 SER HB3 H 3.76 0.02 1 1079 . 94 SER C C 172.5 0.3 1 1080 . 95 LYS N N 123.2 0.2 1 1081 . 95 LYS H H 8.36 0.02 1 1082 . 95 LYS CA C 57.0 0.3 1 1083 . 95 LYS HA H 4.63 0.02 1 1084 . 95 LYS CB C 33.3 0.3 1 1085 . 95 LYS HB2 H 1.74 0.02 2 1086 . 95 LYS HB3 H 1.88 0.02 2 1087 . 95 LYS CG C 25.3 0.3 1 1088 . 95 LYS HG2 H 1.30 0.02 2 1089 . 95 LYS HG3 H 1.47 0.02 2 1090 . 95 LYS CD C 29.5 0.3 1 1091 . 95 LYS HD2 H 1.65 0.02 1 1092 . 95 LYS HD3 H 1.65 0.02 1 1093 . 95 LYS CE C 42.2 0.3 1 1094 . 95 LYS HE2 H 3.01 0.02 1 1095 . 95 LYS HE3 H 3.01 0.02 1 1096 . 95 LYS C C 176.0 0.3 1 1097 . 96 LYS N N 126.8 0.2 1 1098 . 96 LYS H H 8.91 0.02 1 1099 . 96 LYS CA C 54.8 0.3 1 1100 . 96 LYS HA H 4.55 0.02 1 1101 . 96 LYS CB C 36.3 0.3 1 1102 . 96 LYS HB2 H 0.16 0.02 2 1103 . 96 LYS HB3 H 1.36 0.02 2 1104 . 96 LYS CG C 25.0 0.3 1 1105 . 96 LYS HG2 H 1.13 0.02 1 1106 . 96 LYS HG3 H 1.13 0.02 1 1107 . 96 LYS CD C 29.0 0.3 1 1108 . 96 LYS HD2 H 1.65 0.02 1 1109 . 96 LYS HD3 H 1.65 0.02 1 1110 . 96 LYS CE C 42.2 0.3 1 1111 . 96 LYS HE2 H 2.97 0.02 2 1112 . 96 LYS HE3 H 3.05 0.02 2 1113 . 96 LYS C C 177.3 0.3 1 1114 . 97 GLU N N 117.5 0.2 1 1115 . 97 GLU H H 7.62 0.02 1 1116 . 97 GLU CA C 54.8 0.3 1 1117 . 97 GLU HA H 5.69 0.02 1 1118 . 97 GLU CB C 33.3 0.3 1 1119 . 97 GLU HB2 H 1.78 0.02 2 1120 . 97 GLU HB3 H 2.02 0.02 2 1121 . 97 GLU CG C 36.8 0.3 1 1122 . 97 GLU HG2 H 2.12 0.02 2 1123 . 97 GLU HG3 H 2.30 0.02 2 1124 . 97 GLU C C 176.2 0.3 1 1125 . 98 ASP N N 121.2 0.2 1 1126 . 98 ASP H H 9.09 0.02 1 1127 . 98 ASP CA C 54.5 0.3 1 1128 . 98 ASP HA H 5.21 0.02 1 1129 . 98 ASP CB C 47.9 0.3 1 1130 . 98 ASP HB2 H 2.60 0.02 2 1131 . 98 ASP HB3 H 2.75 0.02 2 1132 . 98 ASP C C 173.8 0.3 1 1133 . 99 LEU N N 120.1 0.2 1 1134 . 99 LEU H H 8.33 0.02 1 1135 . 99 LEU CA C 54.9 0.3 1 1136 . 99 LEU HA H 4.95 0.02 1 1137 . 99 LEU CB C 44.2 0.3 1 1138 . 99 LEU HB2 H 1.56 0.02 2 1139 . 99 LEU HB3 H 1.90 0.02 2 1140 . 99 LEU CG C 27.3 0.3 1 1141 . 99 LEU HG H 1.77 0.02 1 1142 . 99 LEU HD1 H 0.84 0.02 1 1143 . 99 LEU HD2 H 0.84 0.02 1 1144 . 99 LEU CD1 C 25.3 0.3 1 1145 . 99 LEU CD2 C 24.4 0.3 1 1146 . 99 LEU C C 176.6 0.3 1 1147 . 100 VAL N N 123.2 0.2 1 1148 . 100 VAL H H 9.35 0.02 1 1149 . 100 VAL CA C 61.4 0.3 1 1150 . 100 VAL HA H 4.72 0.02 1 1151 . 100 VAL CB C 35.1 0.3 1 1152 . 100 VAL HB H 2.43 0.02 1 1153 . 100 VAL CG1 C 21.3 0.3 1 1154 . 100 VAL CG2 C 21.3 0.3 1 1155 . 100 VAL HG1 H 1.08 0.02 1 1156 . 100 VAL HG2 H 1.08 0.02 1 1157 . 100 VAL C C 174.9 0.3 1 1158 . 101 PHE N N 127.4 0.2 1 1159 . 101 PHE H H 8.73 0.02 1 1160 . 101 PHE CA C 56.5 0.3 1 1161 . 101 PHE HA H 5.76 0.02 1 1162 . 101 PHE CB C 41.1 0.3 1 1163 . 101 PHE HB2 H 3.30 0.02 2 1164 . 101 PHE HB3 H 3.46 0.02 2 1165 . 101 PHE HD1 H 7.47 0.02 1 1166 . 101 PHE HD2 H 7.47 0.02 1 1167 . 101 PHE HE1 H 7.13 0.02 1 1168 . 101 PHE HE2 H 7.13 0.02 1 1169 . 101 PHE HZ H 6.74 0.02 1 1170 . 101 PHE C C 173.5 0.3 1 1171 . 102 ILE N N 130.0 0.2 1 1172 . 102 ILE H H 9.17 0.02 1 1173 . 102 ILE CA C 59.5 0.3 1 1174 . 102 ILE HA H 5.25 0.02 1 1175 . 102 ILE CB C 42.5 0.3 1 1176 . 102 ILE HB H 1.78 0.02 1 1177 . 102 ILE HG2 H 0.85 0.02 1 1178 . 102 ILE CG2 C 16.1 0.3 1 1179 . 102 ILE CG1 C 29.7 0.3 1 1180 . 102 ILE HG12 H 1.46 0.02 2 1181 . 102 ILE HG13 H 1.91 0.02 2 1182 . 102 ILE HD1 H 1.05 0.02 1 1183 . 102 ILE CD1 C 14.6 0.3 1 1184 . 102 ILE C C 174.2 0.3 1 1185 . 103 PHE N N 126.3 0.2 1 1186 . 103 PHE H H 8.83 0.02 1 1187 . 103 PHE CA C 53.6 0.3 1 1188 . 103 PHE HA H 5.65 0.02 1 1189 . 103 PHE CB C 39.5 0.3 1 1190 . 103 PHE HB2 H 3.18 0.02 1 1191 . 103 PHE HB3 H 3.18 0.02 1 1192 . 103 PHE HD1 H 7.36 0.02 1 1193 . 103 PHE HD2 H 7.36 0.02 1 1194 . 103 PHE HE1 H 7.13 0.02 1 1195 . 103 PHE HE2 H 7.13 0.02 1 1196 . 103 PHE HZ H 6.91 0.02 1 1197 . 103 PHE C C 172.7 0.3 1 1198 . 104 TRP N N 131.4 0.2 1 1199 . 104 TRP H H 8.91 0.02 1 1200 . 104 TRP CA C 55.4 0.3 1 1201 . 104 TRP HA H 4.76 0.02 1 1202 . 104 TRP CB C 31.0 0.3 1 1203 . 104 TRP HB2 H 2.65 0.02 2 1204 . 104 TRP HB3 H 3.07 0.02 2 1205 . 104 TRP NE1 N 133.7 0.2 1 1206 . 104 TRP HD1 H 6.92 0.02 1 1207 . 104 TRP HE3 H 6.94 0.02 1 1208 . 104 TRP HE1 H 11.07 0.02 1 1209 . 104 TRP HZ3 H 6.43 0.02 1 1210 . 104 TRP HZ2 H 7.13 0.02 1 1211 . 104 TRP HH2 H 6.66 0.02 1 1212 . 104 TRP C C 171.9 0.3 1 1213 . 105 ALA N N 129.4 0.2 1 1214 . 105 ALA H H 7.63 0.02 1 1215 . 105 ALA CA C 48.6 0.3 1 1216 . 105 ALA HA H 4.55 0.02 1 1217 . 105 ALA HB H 0.26 0.02 1 1218 . 105 ALA CB C 18.3 0.3 1 1219 . 106 PRO CD C 48.5 0.3 1 1220 . 106 PRO CA C 62.0 0.3 1 1221 . 106 PRO HA H 3.58 0.02 1 1222 . 106 PRO CB C 31.6 0.3 1 1223 . 106 PRO HB2 H 0.93 0.02 2 1224 . 106 PRO HB3 H 1.75 0.02 2 1225 . 106 PRO CG C 27.5 0.3 1 1226 . 106 PRO HG2 H 1.27 0.02 2 1227 . 106 PRO HG3 H 1.54 0.02 2 1228 . 106 PRO HD2 H 0.84 0.02 2 1229 . 106 PRO HD3 H 2.71 0.02 2 1230 . 106 PRO C C 178.0 0.3 1 1231 . 107 GLU N N 120.7 0.2 1 1232 . 107 GLU H H 7.90 0.02 1 1233 . 107 GLU CA C 58.9 0.3 1 1234 . 107 GLU HA H 3.86 0.02 1 1235 . 107 GLU CB C 29.8 0.3 1 1236 . 107 GLU HB2 H 2.07 0.02 1 1237 . 107 GLU HB3 H 2.07 0.02 1 1238 . 107 GLU CG C 36.0 0.3 1 1239 . 107 GLU HG2 H 2.36 0.02 1 1240 . 107 GLU HG3 H 2.36 0.02 1 1241 . 107 GLU C C 177.4 0.3 1 1242 . 108 SER N N 108.8 0.2 1 1243 . 108 SER H H 7.72 0.02 1 1244 . 108 SER CA C 58.2 0.3 1 1245 . 108 SER HA H 4.30 0.02 1 1246 . 108 SER CB C 63.2 0.3 1 1247 . 108 SER HB2 H 3.85 0.02 2 1248 . 108 SER HB3 H 4.10 0.02 2 1249 . 108 SER C C 174.8 0.3 1 1250 . 109 ALA N N 125.4 0.2 1 1251 . 109 ALA H H 7.37 0.02 1 1252 . 109 ALA CA C 50.5 0.3 1 1253 . 109 ALA HA H 4.43 0.02 1 1254 . 109 ALA HB H 1.11 0.02 1 1255 . 109 ALA CB C 18.3 0.3 1 1256 . 110 PRO CD C 51.0 0.3 1 1257 . 110 PRO CA C 62.8 0.3 1 1258 . 110 PRO HA H 4.51 0.02 1 1259 . 110 PRO CB C 32.5 0.3 1 1260 . 110 PRO HB2 H 2.02 0.02 2 1261 . 110 PRO HB3 H 2.60 0.02 2 1262 . 110 PRO CG C 28.1 0.3 1 1263 . 110 PRO HG2 H 2.25 0.02 2 1264 . 110 PRO HG3 H 2.31 0.02 2 1265 . 110 PRO HD2 H 3.66 0.02 2 1266 . 110 PRO HD3 H 4.18 0.02 2 1267 . 110 PRO C C 178.0 0.3 1 1268 . 111 LEU N N 127.2 0.2 1 1269 . 111 LEU H H 8.79 0.02 1 1270 . 111 LEU CA C 58.9 0.3 1 1271 . 111 LEU HA H 4.02 0.02 1 1272 . 111 LEU CB C 41.7 0.3 1 1273 . 111 LEU HB2 H 1.80 0.02 1 1274 . 111 LEU HB3 H 1.80 0.02 1 1275 . 111 LEU CG C 27.2 0.3 1 1276 . 111 LEU HG H 1.74 0.02 1 1277 . 111 LEU CD1 C 24.9 0.3 1 1278 . 111 LEU CD2 C 23.7 0.3 1 1279 . 111 LEU HD1 H 1.01 0.02 1 1280 . 111 LEU HD2 H 1.01 0.02 1 1281 . 111 LEU C C 178.8 0.3 1 1282 . 112 LYS N N 115.9 0.2 1 1283 . 112 LYS H H 8.86 0.02 1 1284 . 112 LYS CA C 59.8 0.3 1 1285 . 112 LYS HA H 4.16 0.02 1 1286 . 112 LYS CB C 32.4 0.3 1 1287 . 112 LYS HB2 H 1.95 0.02 1 1288 . 112 LYS HB3 H 1.95 0.02 1 1289 . 112 LYS CG C 25.3 0.3 1 1290 . 112 LYS HG2 H 1.54 0.02 1 1291 . 112 LYS HG3 H 1.54 0.02 1 1292 . 112 LYS CD C 29.7 0.3 1 1293 . 112 LYS HD2 H 1.78 0.02 1 1294 . 112 LYS HD3 H 1.78 0.02 1 1295 . 112 LYS CE C 42.2 0.3 1 1296 . 112 LYS HE2 H 3.12 0.02 1 1297 . 112 LYS HE3 H 3.12 0.02 1 1298 . 112 LYS C C 179.3 0.3 1 1299 . 113 SER N N 112.9 0.2 1 1300 . 113 SER H H 7.09 0.02 1 1301 . 113 SER CA C 61.4 0.3 1 1302 . 113 SER HA H 4.58 0.02 1 1303 . 113 SER CB C 63.3 0.3 1 1304 . 113 SER HB2 H 4.23 0.02 1 1305 . 113 SER HB3 H 4.23 0.02 1 1306 . 113 SER C C 176.2 0.3 1 1307 . 114 LYS N N 121.6 0.2 1 1308 . 114 LYS H H 8.16 0.02 1 1309 . 114 LYS CA C 61.0 0.3 1 1310 . 114 LYS HA H 4.28 0.02 1 1311 . 114 LYS CB C 32.3 0.3 1 1312 . 114 LYS HB2 H 1.89 0.02 1 1313 . 114 LYS HB3 H 1.89 0.02 1 1314 . 114 LYS CG C 26.4 0.3 1 1315 . 114 LYS HG2 H 1.11 0.02 2 1316 . 114 LYS HG3 H 1.34 0.02 2 1317 . 114 LYS CD C 29.4 0.3 1 1318 . 114 LYS HD2 H 1.51 0.02 2 1319 . 114 LYS HD3 H 1.63 0.02 2 1320 . 114 LYS CE C 42.2 0.3 1 1321 . 114 LYS HE2 H 2.77 0.02 2 1322 . 114 LYS HE3 H 2.91 0.02 2 1323 . 114 LYS C C 179.3 0.3 1 1324 . 115 MET N N 116.0 0.2 1 1325 . 115 MET H H 8.56 0.02 1 1326 . 115 MET CA C 58.9 0.3 1 1327 . 115 MET HA H 4.35 0.02 1 1328 . 115 MET CB C 32.9 0.3 1 1329 . 115 MET HB2 H 2.26 0.02 1 1330 . 115 MET HB3 H 2.26 0.02 1 1331 . 115 MET CG C 32.3 0.3 1 1332 . 115 MET HG2 H 2.69 0.02 2 1333 . 115 MET HG3 H 2.86 0.02 2 1334 . 115 MET HE H 1.76 0.02 1 1335 . 115 MET CE C 18.1 0.3 1 1336 . 115 MET C C 179.5 0.3 1 1337 . 116 ILE N N 121.1 0.2 1 1338 . 116 ILE H H 7.99 0.02 1 1339 . 116 ILE CA C 64.8 0.3 1 1340 . 116 ILE HA H 4.11 0.02 1 1341 . 116 ILE CB C 38.4 0.3 1 1342 . 116 ILE HB H 2.00 0.02 1 1343 . 116 ILE HG2 H 1.00 0.02 1 1344 . 116 ILE CG2 C 18.3 0.3 1 1345 . 116 ILE CG1 C 29.2 0.3 1 1346 . 116 ILE HG12 H 1.21 0.02 2 1347 . 116 ILE HG13 H 1.82 0.02 2 1348 . 116 ILE HD1 H 0.96 0.02 1 1349 . 116 ILE CD1 C 14.0 0.3 1 1350 . 116 ILE C C 179.5 0.3 1 1351 . 117 TYR N N 121.1 0.2 1 1352 . 117 TYR H H 8.98 0.02 1 1353 . 117 TYR CA C 62.3 0.3 1 1354 . 117 TYR HA H 4.28 0.02 1 1355 . 117 TYR CB C 37.9 0.3 1 1356 . 117 TYR HB2 H 2.83 0.02 2 1357 . 117 TYR HB3 H 3.29 0.02 2 1358 . 117 TYR HD1 H 6.89 0.02 1 1359 . 117 TYR HD2 H 6.89 0.02 1 1360 . 117 TYR HE1 H 7.13 0.02 1 1361 . 117 TYR HE2 H 7.13 0.02 1 1362 . 117 TYR C C 181.1 0.3 1 1363 . 118 ALA N N 123.7 0.2 1 1364 . 118 ALA H H 9.03 0.02 1 1365 . 118 ALA CA C 56.1 0.3 1 1366 . 118 ALA HA H 4.20 0.02 1 1367 . 118 ALA HB H 1.81 0.02 1 1368 . 118 ALA CB C 18.3 0.3 1 1369 . 118 ALA C C 180.7 0.3 1 1370 . 119 SER N N 113.9 0.2 1 1371 . 119 SER H H 8.25 0.02 1 1372 . 119 SER CA C 61.4 0.3 1 1373 . 119 SER HA H 4.45 0.02 1 1374 . 119 SER CB C 63.3 0.3 1 1375 . 119 SER HB2 H 4.11 0.02 2 1376 . 119 SER HB3 H 4.16 0.02 2 1377 . 119 SER C C 176.2 0.3 1 1378 . 120 SER N N 115.0 0.2 1 1379 . 120 SER H H 7.49 0.02 1 1380 . 120 SER CA C 59.4 0.3 1 1381 . 120 SER HA H 4.67 0.02 1 1382 . 120 SER CB C 63.6 0.3 1 1383 . 120 SER HB2 H 3.85 0.02 2 1384 . 120 SER HB3 H 4.00 0.02 2 1385 . 120 SER C C 172.9 0.3 1 1386 . 121 LYS N N 122.1 0.2 1 1387 . 121 LYS H H 7.04 0.02 1 1388 . 121 LYS CA C 59.6 0.3 1 1389 . 121 LYS HA H 3.57 0.02 1 1390 . 121 LYS CB C 31.3 0.3 1 1391 . 121 LYS HB2 H 1.84 0.02 1 1392 . 121 LYS HB3 H 1.84 0.02 1 1393 . 121 LYS CG C 23.8 0.3 1 1394 . 121 LYS HG2 H 1.46 0.02 1 1395 . 121 LYS HG3 H 1.46 0.02 1 1396 . 121 LYS HD2 H 1.65 0.02 1 1397 . 121 LYS HD3 H 1.65 0.02 1 1398 . 121 LYS CE C 41.3 0.3 1 1399 . 121 LYS HE2 H 3.08 0.02 1 1400 . 121 LYS HE3 H 3.08 0.02 1 1401 . 121 LYS C C 177.3 0.3 1 1402 . 122 ASP N N 117.5 0.2 1 1403 . 122 ASP H H 8.47 0.02 1 1404 . 122 ASP CA C 57.3 0.3 1 1405 . 122 ASP HA H 4.28 0.02 1 1406 . 122 ASP CB C 40.4 0.3 1 1407 . 122 ASP HB2 H 2.52 0.02 2 1408 . 122 ASP HB3 H 2.62 0.02 2 1409 . 122 ASP C C 177.7 0.3 1 1410 . 123 ALA N N 121.6 0.2 1 1411 . 123 ALA H H 7.59 0.02 1 1412 . 123 ALA CA C 54.9 0.3 1 1413 . 123 ALA HA H 3.92 0.02 1 1414 . 123 ALA HB H 1.33 0.02 1 1415 . 123 ALA CB C 17.9 0.3 1 1416 . 123 ALA C C 179.8 0.3 1 1417 . 124 ILE N N 114.4 0.2 1 1418 . 124 ILE H H 6.95 0.02 1 1419 . 124 ILE CA C 63.1 0.3 1 1420 . 124 ILE HA H 3.48 0.02 1 1421 . 124 ILE CB C 37.4 0.3 1 1422 . 124 ILE HB H 1.08 0.02 1 1423 . 124 ILE HG2 H 0.10 0.02 1 1424 . 124 ILE CG2 C 15.2 0.3 1 1425 . 124 ILE CG1 C 28.9 0.3 1 1426 . 124 ILE HG12 H -0.10 0.02 2 1427 . 124 ILE HG13 H 0.45 0.02 2 1428 . 124 ILE HD1 H 0.24 0.02 1 1429 . 124 ILE CD1 C 14.1 0.3 1 1430 . 124 ILE C C 175.3 0.3 1 1431 . 125 LYS N N 122.1 0.2 1 1432 . 125 LYS H H 7.73 0.02 1 1433 . 125 LYS CA C 59.5 0.3 1 1434 . 125 LYS HA H 3.00 0.02 1 1435 . 125 LYS CB C 31.9 0.3 1 1436 . 125 LYS HB2 H 1.38 0.02 2 1437 . 125 LYS HB3 H 1.65 0.02 2 1438 . 125 LYS CG C 25.0 0.3 1 1439 . 125 LYS HG2 H 1.08 0.02 1 1440 . 125 LYS HG3 H 1.08 0.02 1 1441 . 125 LYS CD C 28.8 0.3 1 1442 . 125 LYS HD2 H 1.43 0.02 2 1443 . 125 LYS HD3 H 1.57 0.02 2 1444 . 125 LYS CE C 41.8 0.3 1 1445 . 125 LYS HE2 H 2.80 0.02 2 1446 . 125 LYS HE3 H 2.92 0.02 2 1447 . 125 LYS C C 179.3 0.3 1 1448 . 126 LYS N N 115.9 0.2 1 1449 . 126 LYS H H 7.66 0.02 1 1450 . 126 LYS CA C 58.5 0.3 1 1451 . 126 LYS HA H 3.86 0.02 1 1452 . 126 LYS CB C 32.6 0.3 1 1453 . 126 LYS HB2 H 1.75 0.02 1 1454 . 126 LYS HB3 H 1.75 0.02 1 1455 . 126 LYS CG C 26.0 0.3 1 1456 . 126 LYS HG2 H 1.45 0.02 1 1457 . 126 LYS HG3 H 1.45 0.02 1 1458 . 126 LYS CD C 29.4 0.3 1 1459 . 126 LYS HD2 H 1.82 0.02 1 1460 . 126 LYS HD3 H 1.82 0.02 1 1461 . 126 LYS CE C 42.2 0.3 1 1462 . 126 LYS HE2 H 3.00 0.02 1 1463 . 126 LYS HE3 H 3.00 0.02 1 1464 . 126 LYS C C 178.4 0.3 1 1465 . 127 LYS N N 115.4 0.2 1 1466 . 127 LYS H H 6.93 0.02 1 1467 . 127 LYS CA C 55.3 0.3 1 1468 . 127 LYS HA H 4.17 0.02 1 1469 . 127 LYS CB C 31.4 0.3 1 1470 . 127 LYS HB2 H 1.66 0.02 1 1471 . 127 LYS HB3 H 1.66 0.02 1 1472 . 127 LYS CG C 24.5 0.3 1 1473 . 127 LYS HG2 H 1.20 0.02 1 1474 . 127 LYS HG3 H 1.20 0.02 1 1475 . 127 LYS CD C 28.1 0.3 1 1476 . 127 LYS HD2 H 1.49 0.02 1 1477 . 127 LYS HD3 H 1.49 0.02 1 1478 . 127 LYS CE C 42.2 0.3 1 1479 . 127 LYS HE2 H 3.01 0.02 1 1480 . 127 LYS HE3 H 3.01 0.02 1 1481 . 127 LYS C C 176.7 0.3 1 1482 . 128 PHE N N 123.2 0.2 1 1483 . 128 PHE H H 7.14 0.02 1 1484 . 128 PHE CA C 51.4 0.3 1 1485 . 128 PHE HA H 3.80 0.02 1 1486 . 128 PHE CB C 34.8 0.3 1 1487 . 128 PHE HB2 H 2.35 0.02 2 1488 . 128 PHE HB3 H 2.66 0.02 2 1489 . 128 PHE HD1 H 6.15 0.02 1 1490 . 128 PHE HD2 H 6.15 0.02 1 1491 . 128 PHE HE1 H 6.75 0.02 1 1492 . 128 PHE HE2 H 6.75 0.02 1 1493 . 128 PHE HZ H 6.25 0.02 1 1494 . 128 PHE C C 175.0 0.3 1 1495 . 129 THR N N 115.4 0.2 1 1496 . 129 THR H H 7.21 0.02 1 1497 . 129 THR CA C 63.8 0.3 1 1498 . 129 THR HA H 3.98 0.02 1 1499 . 129 THR CB C 69.3 0.3 1 1500 . 129 THR HB H 4.17 0.02 1 1501 . 129 THR HG2 H 1.33 0.02 1 1502 . 129 THR CG2 C 21.9 0.3 1 1503 . 129 THR C C 175.6 0.3 1 1504 . 130 GLY N N 113.9 0.2 1 1505 . 130 GLY H H 8.95 0.02 1 1506 . 130 GLY CA C 45.2 0.3 1 1507 . 130 GLY HA2 H 4.40 0.02 2 1508 . 130 GLY HA3 H 3.80 0.02 2 1509 . 130 GLY C C 175.5 0.3 1 1510 . 131 ILE N N 120.9 0.2 1 1511 . 131 ILE H H 7.87 0.02 1 1512 . 131 ILE CA C 61.3 0.3 1 1513 . 131 ILE HA H 4.45 0.02 1 1514 . 131 ILE CB C 38.5 0.3 1 1515 . 131 ILE HB H 2.11 0.02 1 1516 . 131 ILE HG2 H 1.16 0.02 1 1517 . 131 ILE CG2 C 18.8 0.3 1 1518 . 131 ILE CG1 C 29.0 0.3 1 1519 . 131 ILE HG12 H 1.58 0.02 2 1520 . 131 ILE HG13 H 1.76 0.02 2 1521 . 131 ILE HD1 H 1.13 0.02 1 1522 . 131 ILE CD1 C 15.3 0.3 1 1523 . 131 ILE C C 176.3 0.3 1 1524 . 132 LYS N N 126.8 0.2 1 1525 . 132 LYS H H 9.39 0.02 1 1526 . 132 LYS CA C 57.3 0.3 1 1527 . 132 LYS HA H 4.36 0.02 1 1528 . 132 LYS CB C 34.2 0.3 1 1529 . 132 LYS HB2 H 1.56 0.02 1 1530 . 132 LYS HB3 H 1.56 0.02 1 1531 . 132 LYS CG C 25.3 0.3 1 1532 . 132 LYS HG2 H 1.29 0.02 2 1533 . 132 LYS HG3 H 1.45 0.02 2 1534 . 132 LYS CD C 29.2 0.3 1 1535 . 132 LYS HD2 H 1.72 0.02 1 1536 . 132 LYS HD3 H 1.72 0.02 1 1537 . 132 LYS CE C 42.2 0.3 1 1538 . 132 LYS HE2 H 3.07 0.02 1 1539 . 132 LYS HE3 H 3.07 0.02 1 1540 . 132 LYS C C 176.0 0.3 1 1541 . 133 HIS N N 116.5 0.2 1 1542 . 133 HIS H H 7.13 0.02 1 1543 . 133 HIS CA C 55.4 0.3 1 1544 . 133 HIS HA H 5.11 0.02 1 1545 . 133 HIS CB C 34.7 0.3 1 1546 . 133 HIS HB2 H 3.33 0.02 2 1547 . 133 HIS HB3 H 2.82 0.02 2 1548 . 133 HIS HD2 H 6.96 0.02 1 1549 . 133 HIS HE1 H 7.79 0.02 1 1550 . 133 HIS C C 173.5 0.3 1 1551 . 134 GLU N N 123.7 0.2 1 1552 . 134 GLU H H 8.94 0.02 1 1553 . 134 GLU CA C 54.3 0.3 1 1554 . 134 GLU HA H 5.92 0.02 1 1555 . 134 GLU CB C 33.3 0.3 1 1556 . 134 GLU HB2 H 2.21 0.02 1 1557 . 134 GLU HB3 H 2.21 0.02 1 1558 . 134 GLU CG C 36.4 0.3 1 1559 . 134 GLU HG2 H 2.40 0.02 1 1560 . 134 GLU HG3 H 2.40 0.02 1 1561 . 134 GLU C C 174.9 0.3 1 1562 . 135 TRP N N 127.8 0.2 1 1563 . 135 TRP H H 9.42 0.02 1 1564 . 135 TRP CA C 53.7 0.3 1 1565 . 135 TRP HA H 5.48 0.02 1 1566 . 135 TRP CB C 33.6 0.3 1 1567 . 135 TRP HB2 H 2.69 0.02 2 1568 . 135 TRP HB3 H 3.58 0.02 2 1569 . 135 TRP NE1 N 128.3 0.2 1 1570 . 135 TRP HD1 H 7.28 0.02 1 1571 . 135 TRP HE3 H 7.19 0.02 1 1572 . 135 TRP HE1 H 10.20 0.02 1 1573 . 135 TRP HZ3 H 6.53 0.02 1 1574 . 135 TRP HZ2 H 7.51 0.02 1 1575 . 135 TRP HH2 H 7.13 0.02 1 1576 . 135 TRP C C 173.9 0.3 1 1577 . 136 GLN N N 129.8 0.2 1 1578 . 136 GLN H H 9.29 0.02 1 1579 . 136 GLN CA C 55.4 0.3 1 1580 . 136 GLN HA H 5.28 0.02 1 1581 . 136 GLN CB C 29.0 0.3 1 1582 . 136 GLN HB2 H 2.18 0.02 2 1583 . 136 GLN HB3 H 2.34 0.02 2 1584 . 136 GLN CG C 34.1 0.3 1 1585 . 136 GLN HG2 H 2.16 0.02 1 1586 . 136 GLN HG3 H 2.16 0.02 1 1587 . 136 GLN CD C 179.5 0.3 1 1588 . 136 GLN NE2 N 111.3 0.2 1 1589 . 136 GLN HE21 H 6.82 0.02 2 1590 . 136 GLN HE22 H 7.67 0.02 2 1591 . 136 GLN C C 173.6 0.3 1 1592 . 137 VAL N N 125.4 0.2 1 1593 . 137 VAL H H 8.53 0.02 1 1594 . 137 VAL CA C 60.5 0.3 1 1595 . 137 VAL HA H 4.15 0.02 1 1596 . 137 VAL CB C 34.6 0.3 1 1597 . 137 VAL HB H 1.68 0.02 1 1598 . 137 VAL HG1 H 0.52 0.02 2 1599 . 137 VAL HG2 H 0.03 0.02 2 1600 . 137 VAL CG1 C 23.2 0.3 1 1601 . 137 VAL CG2 C 19.8 0.3 1 1602 . 137 VAL C C 174.6 0.3 1 1603 . 138 ASN N N 123.2 0.2 1 1604 . 138 ASN H H 9.01 0.02 1 1605 . 138 ASN CA C 53.1 0.3 1 1606 . 138 ASN HA H 4.68 0.02 1 1607 . 138 ASN CB C 39.6 0.3 1 1608 . 138 ASN HB2 H 2.65 0.02 2 1609 . 138 ASN HB3 H 2.90 0.02 2 1610 . 138 ASN CG C 177.4 0.3 1 1611 . 138 ASN ND2 N 112.3 0.2 1 1612 . 138 ASN HD21 H 6.82 0.02 2 1613 . 138 ASN HD22 H 7.61 0.02 2 1614 . 138 ASN C C 174.8 0.3 1 1615 . 139 GLY N N 104.6 0.2 1 1616 . 139 GLY H H 6.93 0.02 1 1617 . 139 GLY CA C 45.2 0.3 1 1618 . 139 GLY HA2 H 4.34 0.02 2 1619 . 139 GLY HA3 H 3.55 0.02 2 1620 . 139 GLY C C 173.6 0.3 1 1621 . 140 LEU N N 122.6 0.2 1 1622 . 140 LEU H H 9.06 0.02 1 1623 . 140 LEU CA C 57.6 0.3 1 1624 . 140 LEU HA H 4.27 0.02 1 1625 . 140 LEU CB C 42.9 0.3 1 1626 . 140 LEU HB2 H 1.75 0.02 1 1627 . 140 LEU HB3 H 1.75 0.02 1 1628 . 140 LEU CG C 27.3 0.3 1 1629 . 140 LEU HG H 1.75 0.02 1 1630 . 140 LEU CD1 C 24.3 0.3 1 1631 . 140 LEU CD2 C 24.4 0.3 1 1632 . 140 LEU HD1 H 0.91 0.02 1 1633 . 140 LEU HD2 H 0.91 0.02 1 1634 . 140 LEU C C 178.7 0.3 1 1635 . 141 ASP N N 117.5 0.2 1 1636 . 141 ASP H H 8.75 0.02 1 1637 . 141 ASP CA C 57.6 0.3 1 1638 . 141 ASP HA H 4.41 0.02 1 1639 . 141 ASP CB C 40.1 0.3 1 1640 . 141 ASP HB2 H 2.67 0.02 2 1641 . 141 ASP HB3 H 2.77 0.02 2 1642 . 141 ASP C C 178.0 0.3 1 1643 . 142 ASP N N 117.5 0.2 1 1644 . 142 ASP H H 7.53 0.02 1 1645 . 142 ASP CA C 56.3 0.3 1 1646 . 142 ASP HA H 4.74 0.02 1 1647 . 142 ASP CB C 42.0 0.3 1 1648 . 142 ASP HB2 H 2.90 0.02 1 1649 . 142 ASP HB3 H 2.90 0.02 1 1650 . 142 ASP C C 176.9 0.3 1 1651 . 143 ILE N N 114.9 0.2 1 1652 . 143 ILE H H 7.40 0.02 1 1653 . 143 ILE CA C 61.4 0.3 1 1654 . 143 ILE HA H 4.91 0.02 1 1655 . 143 ILE CB C 41.1 0.3 1 1656 . 143 ILE HB H 1.54 0.02 1 1657 . 143 ILE HG2 H 0.89 0.02 1 1658 . 143 ILE CG2 C 16.8 0.3 1 1659 . 143 ILE CG1 C 29.0 0.3 1 1660 . 143 ILE HG12 H 1.17 0.02 2 1661 . 143 ILE HG13 H 1.59 0.02 2 1662 . 143 ILE HD1 H 0.43 0.02 1 1663 . 143 ILE CD1 C 14.4 0.3 1 1664 . 143 ILE C C 176.0 0.3 1 1665 . 144 LYS N N 120.7 0.2 1 1666 . 144 LYS H H 7.94 0.02 1 1667 . 144 LYS CA C 59.5 0.3 1 1668 . 144 LYS HA H 4.16 0.02 1 1669 . 144 LYS CB C 32.7 0.3 1 1670 . 144 LYS HB2 H 1.99 0.02 1 1671 . 144 LYS HB3 H 1.99 0.02 1 1672 . 144 LYS CG C 25.2 0.3 1 1673 . 144 LYS HG2 H 1.64 0.02 1 1674 . 144 LYS HG3 H 1.64 0.02 1 1675 . 144 LYS CD C 29.8 0.3 1 1676 . 144 LYS HD2 H 1.79 0.02 1 1677 . 144 LYS HD3 H 1.79 0.02 1 1678 . 144 LYS CE C 42.1 0.3 1 1679 . 144 LYS HE2 H 3.12 0.02 1 1680 . 144 LYS HE3 H 3.12 0.02 1 1681 . 144 LYS C C 176.2 0.3 1 1682 . 145 ASP N N 118.2 0.2 1 1683 . 145 ASP H H 7.77 0.02 1 1684 . 145 ASP CA C 53.2 0.3 1 1685 . 145 ASP HA H 4.95 0.02 1 1686 . 145 ASP CB C 41.6 0.3 1 1687 . 145 ASP HB2 H 3.19 0.02 2 1688 . 145 ASP HB3 H 2.71 0.02 2 1689 . 145 ASP C C 176.5 0.3 1 1690 . 146 ARG N N 126.3 0.2 1 1691 . 146 ARG H H 8.64 0.02 1 1692 . 146 ARG CA C 58.6 0.3 1 1693 . 146 ARG HA H 3.80 0.02 1 1694 . 146 ARG CB C 30.1 0.3 1 1695 . 146 ARG HB2 H 1.62 0.02 1 1696 . 146 ARG HB3 H 1.62 0.02 1 1697 . 146 ARG CG C 27.8 0.3 1 1698 . 146 ARG HG2 H 1.43 0.02 2 1699 . 146 ARG HG3 H 1.62 0.02 2 1700 . 146 ARG CD C 43.5 0.3 1 1701 . 146 ARG HD2 H 3.14 0.02 2 1702 . 146 ARG HD3 H 3.32 0.02 2 1703 . 146 ARG C C 176.7 0.3 1 1704 . 147 SER N N 114.4 0.2 1 1705 . 147 SER H H 8.54 0.02 1 1706 . 147 SER CA C 61.6 0.3 1 1707 . 147 SER HA H 3.99 0.02 1 1708 . 147 SER CB C 62.2 0.3 1 1709 . 147 SER HB2 H 4.00 0.02 1 1710 . 147 SER HB3 H 4.00 0.02 1 1711 . 147 SER C C 176.9 0.3 1 1712 . 148 THR N N 120.2 0.2 1 1713 . 148 THR H H 7.92 0.02 1 1714 . 148 THR CA C 65.9 0.3 1 1715 . 148 THR HA H 4.04 0.02 1 1716 . 148 THR CB C 68.2 0.3 1 1717 . 148 THR HB H 4.47 0.02 1 1718 . 148 THR HG2 H 1.35 0.02 1 1719 . 148 THR CG2 C 23.4 0.3 1 1720 . 148 THR C C 176.7 0.3 1 1721 . 149 LEU N N 123.7 0.2 1 1722 . 149 LEU H H 7.07 0.02 1 1723 . 149 LEU CA C 57.1 0.3 1 1724 . 149 LEU HA H 3.42 0.02 1 1725 . 149 LEU CB C 39.5 0.3 1 1726 . 149 LEU HB2 H 1.43 0.02 2 1727 . 149 LEU HB3 H 1.49 0.02 2 1728 . 149 LEU CG C 26.9 0.3 1 1729 . 149 LEU HG H 1.25 0.02 1 1730 . 149 LEU HD1 H 0.87 0.02 2 1731 . 149 LEU HD2 H 0.68 0.02 2 1732 . 149 LEU CD1 C 26.6 0.3 1 1733 . 149 LEU CD2 C 22.6 0.3 1 1734 . 149 LEU C C 178.3 0.3 1 1735 . 150 GLY N N 104.6 0.2 1 1736 . 150 GLY H H 8.09 0.02 1 1737 . 150 GLY CA C 48.0 0.3 1 1738 . 150 GLY HA2 H 3.55 0.02 2 1739 . 150 GLY HA3 H 3.25 0.02 2 1740 . 151 GLU N N 120.1 0.2 1 1741 . 151 GLU H H 7.91 0.02 1 1742 . 151 GLU CA C 59.4 0.3 1 1743 . 151 GLU HA H 3.97 0.02 1 1744 . 151 GLU CB C 29.2 0.3 1 1745 . 151 GLU HB2 H 2.07 0.02 1 1746 . 151 GLU HB3 H 2.07 0.02 1 1747 . 151 GLU CG C 36.3 0.3 1 1748 . 151 GLU HG2 H 2.32 0.02 1 1749 . 151 GLU HG3 H 2.32 0.02 1 1750 . 151 GLU C C 179.7 0.3 1 1751 . 152 LYS N N 120.6 0.2 1 1752 . 152 LYS H H 7.40 0.02 1 1753 . 152 LYS CA C 57.9 0.3 1 1754 . 152 LYS HA H 3.98 0.02 1 1755 . 152 LYS CB C 31.0 0.3 1 1756 . 152 LYS HB2 H 1.57 0.02 1 1757 . 152 LYS HB3 H 1.57 0.02 1 1758 . 152 LYS CG C 23.8 0.3 1 1759 . 152 LYS HG2 H 0.97 0.02 2 1760 . 152 LYS HG3 H 1.08 0.02 2 1761 . 152 LYS CD C 27.8 0.3 1 1762 . 152 LYS HD2 H 1.29 0.02 2 1763 . 152 LYS HD3 H 1.39 0.02 2 1764 . 152 LYS CE C 41.3 0.3 1 1765 . 152 LYS HE2 H 2.66 0.02 2 1766 . 152 LYS HE3 H 2.71 0.02 2 1767 . 152 LYS C C 177.9 0.3 1 1768 . 153 LEU N N 116.1 0.2 1 1769 . 153 LEU H H 7.51 0.02 1 1770 . 153 LEU CA C 55.8 0.3 1 1771 . 153 LEU HA H 3.72 0.02 1 1772 . 153 LEU CB C 41.7 0.3 1 1773 . 153 LEU HB2 H 0.57 0.02 2 1774 . 153 LEU HB3 H 1.15 0.02 2 1775 . 153 LEU CG C 25.6 0.3 1 1776 . 153 LEU HG H 1.24 0.02 1 1777 . 153 LEU CD1 C 20.4 0.3 1 1778 . 153 LEU CD2 C 25.3 0.3 1 1779 . 153 LEU HD1 H -0.02 0.02 1 1780 . 153 LEU HD2 H -0.02 0.02 1 1781 . 153 LEU C C 177.3 0.3 1 1782 . 154 GLY N N 103.2 0.2 1 1783 . 154 GLY H H 7.51 0.02 1 1784 . 154 GLY CA C 46.2 0.3 1 1785 . 154 GLY HA2 H 4.19 0.02 2 1786 . 154 GLY HA3 H 3.83 0.02 2 1787 . 154 GLY C C 174.3 0.3 1 1788 . 155 GLY N N 112.9 0.2 1 1789 . 155 GLY H H 8.71 0.02 1 1790 . 155 GLY CA C 46.6 0.3 1 1791 . 155 GLY HA2 H 4.21 0.02 2 1792 . 155 GLY HA3 H 3.84 0.02 2 1793 . 155 GLY C C 175.1 0.3 1 1794 . 156 ASN N N 122.2 0.2 1 1795 . 156 ASN H H 8.81 0.02 1 1796 . 156 ASN CA C 54.6 0.3 1 1797 . 156 ASN HA H 4.63 0.02 1 1798 . 156 ASN CB C 38.0 0.3 1 1799 . 156 ASN HB2 H 2.91 0.02 2 1800 . 156 ASN HB3 H 3.06 0.02 2 1801 . 156 ASN CG C 177.0 0.3 1 1802 . 156 ASN ND2 N 111.2 0.2 1 1803 . 156 ASN HD21 H 6.90 0.02 2 1804 . 156 ASN HD22 H 7.65 0.02 2 1805 . 156 ASN C C 176.0 0.3 1 1806 . 157 VAL N N 110.8 0.2 1 1807 . 157 VAL H H 7.20 0.02 1 1808 . 157 VAL CA C 61.6 0.3 1 1809 . 157 VAL HA H 4.36 0.02 1 1810 . 157 VAL CB C 32.2 0.3 1 1811 . 157 VAL HB H 2.53 0.02 1 1812 . 157 VAL CG1 C 19.1 0.3 1 1813 . 157 VAL CG2 C 21.5 0.3 1 1814 . 157 VAL HG1 H 1.08 0.02 1 1815 . 157 VAL HG2 H 1.08 0.02 1 1816 . 157 VAL C C 175.7 0.3 1 1817 . 158 VAL N N 123.1 0.2 1 1818 . 158 VAL H H 7.59 0.02 1 1819 . 158 VAL CA C 63.8 0.3 1 1820 . 158 VAL HA H 4.10 0.02 1 1821 . 158 VAL CB C 31.7 0.3 1 1822 . 158 VAL HB H 2.06 0.02 1 1823 . 158 VAL HG1 H 0.96 0.02 2 1824 . 158 VAL HG2 H 0.91 0.02 2 1825 . 158 VAL CG1 C 22.6 0.3 1 1826 . 158 VAL CG2 C 22.5 0.3 1 1827 . 158 VAL C C 175.3 0.3 1 1828 . 159 VAL N N 122.3 0.2 1 1829 . 159 VAL H H 8.99 0.02 1 1830 . 159 VAL CA C 62.4 0.3 1 1831 . 159 VAL HA H 4.41 0.02 1 1832 . 159 VAL CB C 33.6 0.3 1 1833 . 159 VAL HB H 2.07 0.02 1 1834 . 159 VAL HG1 H 0.93 0.02 2 1835 . 159 VAL HG2 H 0.77 0.02 2 1836 . 159 VAL CG1 C 21.5 0.3 1 1837 . 159 VAL CG2 C 19.7 0.3 1 1838 . 159 VAL C C 176.7 0.3 1 1839 . 160 SER N N 115.4 0.2 1 1840 . 160 SER H H 7.91 0.02 1 1841 . 160 SER CA C 57.3 0.3 1 1842 . 160 SER HA H 4.84 0.02 1 1843 . 160 SER CB C 65.1 0.3 1 1844 . 160 SER HB2 H 3.44 0.02 2 1845 . 160 SER HB3 H 3.68 0.02 2 1846 . 160 SER C C 171.2 0.3 1 1847 . 161 LEU N N 121.6 0.2 1 1848 . 161 LEU H H 8.46 0.02 1 1849 . 161 LEU CA C 55.1 0.3 1 1850 . 161 LEU HA H 4.94 0.02 1 1851 . 161 LEU CB C 46.0 0.3 1 1852 . 161 LEU HB2 H 1.25 0.02 2 1853 . 161 LEU HB3 H 1.70 0.02 2 1854 . 161 LEU CG C 28.1 0.3 1 1855 . 161 LEU HG H 1.64 0.02 1 1856 . 161 LEU HD1 H 0.70 0.02 2 1857 . 161 LEU HD2 H 0.96 0.02 2 1858 . 161 LEU CD1 C 26.6 0.3 1 1859 . 161 LEU CD2 C 24.1 0.3 1 1860 . 161 LEU C C 176.3 0.3 1 1861 . 162 GLU N N 126.8 0.2 1 1862 . 162 GLU H H 9.97 0.02 1 1863 . 162 GLU CA C 56.1 0.3 1 1864 . 162 GLU HA H 4.20 0.02 1 1865 . 162 GLU CB C 26.3 0.3 1 1866 . 162 GLU HB2 H 2.17 0.02 2 1867 . 162 GLU HB3 H 2.37 0.02 2 1868 . 162 GLU CG C 35.0 0.3 1 1869 . 162 GLU HG2 H 2.62 0.02 1 1870 . 162 GLU HG3 H 2.62 0.02 1 1871 . 162 GLU C C 176.9 0.3 1 1872 . 163 GLY N N 106.2 0.2 1 1873 . 163 GLY H H 9.61 0.02 1 1874 . 163 GLY CA C 45.3 0.3 1 1875 . 163 GLY HA2 H 4.22 0.02 2 1876 . 163 GLY HA3 H 3.64 0.02 2 1877 . 163 GLY C C 174.1 0.3 1 1878 . 164 LYS N N 121.6 0.2 1 1879 . 164 LYS H H 7.65 0.02 1 1880 . 164 LYS CA C 52.6 0.3 1 1881 . 164 LYS HA H 5.03 0.02 1 1882 . 164 LYS CB C 33.8 0.3 1 1883 . 164 LYS HB2 H 1.79 0.02 2 1884 . 164 LYS HB3 H 1.93 0.02 2 1885 . 164 LYS CG C 24.8 0.3 1 1886 . 164 LYS HG2 H 1.52 0.02 2 1887 . 164 LYS HG3 H 1.59 0.02 2 1888 . 164 LYS CD C 28.8 0.3 1 1889 . 164 LYS HD2 H 1.79 0.02 1 1890 . 164 LYS HD3 H 1.79 0.02 1 1891 . 164 LYS CE C 42.2 0.3 1 1892 . 164 LYS HE2 H 3.15 0.02 1 1893 . 164 LYS HE3 H 3.15 0.02 1 1894 . 165 PRO CD C 51.3 0.3 1 1895 . 165 PRO CA C 63.1 0.3 1 1896 . 165 PRO HA H 4.56 0.02 1 1897 . 165 PRO CB C 32.2 0.3 1 1898 . 165 PRO HB2 H 2.03 0.02 2 1899 . 165 PRO HB3 H 2.46 0.02 2 1900 . 165 PRO CG C 27.5 0.3 1 1901 . 165 PRO HG2 H 2.06 0.02 2 1902 . 165 PRO HG3 H 2.17 0.02 2 1903 . 165 PRO HD2 H 3.75 0.02 2 1904 . 165 PRO HD3 H 4.00 0.02 2 1905 . 165 PRO C C 176.3 0.3 1 1906 . 166 LEU N N 128.9 0.2 1 1907 . 166 LEU H H 7.67 0.02 1 1908 . 166 LEU CA C 56.6 0.3 1 1909 . 166 LEU HA H 4.15 0.02 1 1910 . 166 LEU CB C 42.9 0.3 1 1911 . 166 LEU HB2 H 1.46 0.02 2 1912 . 166 LEU HB3 H 1.55 0.02 2 1913 . 166 LEU CG C 28.0 0.3 1 1914 . 166 LEU HG H 1.47 0.02 1 1915 . 166 LEU HD1 H 0.75 0.02 1 1916 . 166 LEU HD2 H 0.75 0.02 1 1917 . 166 LEU CD1 C 24.5 0.3 1 1918 . 166 LEU CD2 C 26.3 0.3 1 stop_ save_