data_5010 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, and 13C chemical shift assignments for DNA polymerase X ; _BMRB_accession_number 5010 _BMRB_flat_file_name bmr5010.str _Entry_type original _Submission_date 2001-05-11 _Accession_date 2001-05-11 _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 Maciejewski Mark W. . 2 Pan Borlan . . 3 Shin Ronald . . 4 Denninger Adam . . 5 Mullen Gregory P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 991 "13C chemical shifts" 725 "15N chemical shifts" 178 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-04-05 original author . stop_ _Original_release_date 2002-04-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 15N, and 13C Resonance Assignments for a 20 kDa DNA Polymerase from African Swine Fever Virus ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21584503 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Maciejewski Mark W. . 2 Pan Borlan . . 3 Shin Ronald . . 4 Denninger Adam . . 5 Mullen Gregory P. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of Biomolecular NMR' _Journal_volume 21 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 177 _Page_last 178 _Year 2001 _Details . loop_ _Keyword 'DNA repair' 'African swine fever virus' polymerase stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref_NMRPipe _Saveframe_category citation _Citation_full . _Citation_title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes' _Citation_status . _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 96088118 _PubMed_ID ? 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. . 4 Zhu G. . . 5 Pfeifer J. . . 6 Bax A. . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full . _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 . save_ save_ref_XEASY _Saveframe_category citation _Citation_full . _Citation_title ; The program XEASY for computer-supported NMR spectral analysis of biological macromolecules. ; _Citation_status . _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bartels C. . . 2 Xia T.-H. . . 3 Billeter Martin . . 4 Guntert Peter . . 5 Wuthrich Kurt . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full . _Journal_volume 6 _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 1 _Page_last 10 _Year 1995 _Details . save_ save_Reference_3 _Saveframe_category citation _Citation_full 'Yanez, R.J., Rodriguez, J.M., Nogal, M.L., Yuste, L., Enriquez, C., Rodriguez, J.F., and Vinuela, E. (1995) Virology 208, 249-278' _Citation_title 'Analysis of the complete nucleotide sequence of African swine fever virus.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 11831707 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yanez 'R. J.' J. . 2 Rodriguez 'J. M.' M. . 3 Nogal 'M. L.' L. . 4 Yuste L. . . 5 Enriquez C. . . 6 Rodriguez 'J. F.' F. . 7 Vinuela E. . . stop_ _Journal_abbreviation Virology _Journal_name_full Virology _Journal_volume 208 _Journal_issue 1 _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 249 _Page_last 278 _Year 1995 _Details ; We present an analysis of the complete genome of African swine fever virus (ASFV) strain BA71V, including 80 kbp of novel sequence and 90 kbp previously reported by several authors. The viral DNA is 170,101 nucleotides long and contains 151 open reading frames. Structural and/or functional information is available on 113 viral proteins. ASFV encodes five multigene families, putative membrane and secreted proteins, and enzymes involved in nucleotide and nucleic acid metabolism (including DNA repair) and protein modification. Database comparisons have provided clues about genes that may modulate the virus-host interaction, thus, possibly controlling ASFV virulence and persistence. The virus possesses genes similar to CD2, IkappaB, C-type lectins, MyD116/gadd34/gamma, 34.5, bcl-2/bax, iap, NifS, and ERV1, which may allow a viral regulation of cell adhesion, apoptosis, and redox metabolism, as well as of the host immune response against ASFV infection. The proteins encoded by different ASFV isolates are highly similar, the most variable ones being those belonging to multigene families, some membrane proteins, and those containing tandem repeats. DNA sequence data confirm the intermediate characteristics of ASFV between poxviruses and iridoviruses, supporting the notion that ASFV belongs to an independent virus family. ; save_ ################################## # Molecular system description # ################################## save_system_Pol_X _Saveframe_category molecular_system _Mol_system_name 'DNA Polymerase X' _Abbreviation_common 'Pol X' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Pol X' $Pol_X stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all reduced' loop_ _Biological_function 'Template-directed nucleotidyl transferase' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Pol_X _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'DNA Polymerase X' _Abbreviation_common 'Pol X' _Molecular_mass 20314 _Mol_thiol_state 'all reduced' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 174 _Mol_residue_sequence ; MLTLIQGKKIVNHLRSRLAF EYNGQLIKILSKNIVAVGSL RREEKMLNDVDLLIIVPEKK LLKHVLPNIRIKGLSFSVKV CGERKCVLFIEWEKKTYQLD LFTALAEEKPYAIFHFTGPV SYLIRIRAALKKKNYKLNQY GLFKNQTLVPLKITTEKELI KELGFTYRIPKKRL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LEU 3 THR 4 LEU 5 ILE 6 GLN 7 GLY 8 LYS 9 LYS 10 ILE 11 VAL 12 ASN 13 HIS 14 LEU 15 ARG 16 SER 17 ARG 18 LEU 19 ALA 20 PHE 21 GLU 22 TYR 23 ASN 24 GLY 25 GLN 26 LEU 27 ILE 28 LYS 29 ILE 30 LEU 31 SER 32 LYS 33 ASN 34 ILE 35 VAL 36 ALA 37 VAL 38 GLY 39 SER 40 LEU 41 ARG 42 ARG 43 GLU 44 GLU 45 LYS 46 MET 47 LEU 48 ASN 49 ASP 50 VAL 51 ASP 52 LEU 53 LEU 54 ILE 55 ILE 56 VAL 57 PRO 58 GLU 59 LYS 60 LYS 61 LEU 62 LEU 63 LYS 64 HIS 65 VAL 66 LEU 67 PRO 68 ASN 69 ILE 70 ARG 71 ILE 72 LYS 73 GLY 74 LEU 75 SER 76 PHE 77 SER 78 VAL 79 LYS 80 VAL 81 CYS 82 GLY 83 GLU 84 ARG 85 LYS 86 CYS 87 VAL 88 LEU 89 PHE 90 ILE 91 GLU 92 TRP 93 GLU 94 LYS 95 LYS 96 THR 97 TYR 98 GLN 99 LEU 100 ASP 101 LEU 102 PHE 103 THR 104 ALA 105 LEU 106 ALA 107 GLU 108 GLU 109 LYS 110 PRO 111 TYR 112 ALA 113 ILE 114 PHE 115 HIS 116 PHE 117 THR 118 GLY 119 PRO 120 VAL 121 SER 122 TYR 123 LEU 124 ILE 125 ARG 126 ILE 127 ARG 128 ALA 129 ALA 130 LEU 131 LYS 132 LYS 133 LYS 134 ASN 135 TYR 136 LYS 137 LEU 138 ASN 139 GLN 140 TYR 141 GLY 142 LEU 143 PHE 144 LYS 145 ASN 146 GLN 147 THR 148 LEU 149 VAL 150 PRO 151 LEU 152 LYS 153 ILE 154 THR 155 THR 156 GLU 157 LYS 158 GLU 159 LEU 160 ILE 161 LYS 162 GLU 163 LEU 164 GLY 165 PHE 166 THR 167 TYR 168 ARG 169 ILE 170 PRO 171 LYS 172 LYS 173 ARG 174 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-12-21 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 18933 entity 100.00 174 100.00 100.00 1.28e-119 BMRB 18934 entity_1 100.00 174 100.00 100.00 1.28e-119 BMRB 18935 entity 100.00 174 100.00 100.00 1.28e-119 PDB 1JAJ "Solution Structure Of Dna Polymerase X From The African Swine Fever Virus" 100.00 174 100.00 100.00 1.28e-119 PDB 1JQR "Nmr Structure Of The African Swine Fever Virus Dna Polymerase X" 100.00 174 100.00 100.00 1.28e-119 PDB 2M2T "Asfv Pol X Structure" 100.00 174 100.00 100.00 1.28e-119 PDB 2M2U "Binary Complex Of African Swine Fever Virus Pol X With Mgdgtp" 100.00 174 100.00 100.00 1.28e-119 PDB 2M2V "African Swine Fever Virus Pol X In The Ternary Complex With Mgdgtp And Dna" 100.00 174 100.00 100.00 1.28e-119 PDB 2M2W "Ternary Complex Of Asfv Pol X With Dna And Mgdgtp" 100.00 174 100.00 100.00 1.28e-119 EMBL CAN10196 "DNA polymerase beta-like protein [African swine fever virus Benin 97/1]" 100.00 174 100.00 100.00 1.28e-119 EMBL CAN10446 "DNA polymerase beta-like protein [African swine fever virus OURT 88/3]" 100.00 174 100.00 100.00 1.28e-119 EMBL CBH29197 "BA71V-O174L [African swine fever virus E75]" 100.00 174 100.00 100.00 1.28e-119 GB AAA65326 "DNA polymerase beta-like protein [African swine fever virus]" 100.00 174 100.00 100.00 1.28e-119 GB AIY22288 "DNA polymerase beta-like protein [African swine fever virus]" 100.00 174 100.00 100.00 1.28e-119 GB AIY22446 "DNA polymerase beta-like protein [African swine fever virus]" 100.00 174 100.00 100.00 1.28e-119 PRF 2113434DC "DNA polymerase beta-like protein" 100.00 174 100.00 100.00 1.28e-119 REF NP_042790 "DNA polymerase beta-like protein [African swine fever virus]" 100.00 174 100.00 100.00 1.28e-119 SP P0C984 "RecName: Full=Repair DNA polymerase X; Short=Pol X [African swine fever virus Malawi LIL 20/1]" 100.00 174 98.85 99.43 8.09e-118 SP P42494 "RecName: Full=Repair DNA polymerase X; Short=Pol X [African swine fever virus BA71V]" 100.00 174 100.00 100.00 1.28e-119 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Pol_X 'African swine fever virus BA71V' 10498 . . 'African swine fever-like viruses' 'African swine fever virus' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $Pol_X 'recombinant technology' E.coli Escherichia coli BL21(DE3) plasmid pET23a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Pol_X_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 $Pol_X . mM 0.6 1.0 '[U-13C; U-15N]' PIPES 20 mM . . . NaCl 500 mM . . . DTT 10 mM . . . AEBSF 0.5 mM . . . 'sodium azide' 0.02 % . . . stop_ save_ save_Pol_X_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Pol_X . mM 0.6 1.0 [U-15N] PIPES 20 mM . . . NaCl 500 mM . . . DTT 10 mM . . . AEBSF 0.5 mM . . . 'sodium azide' 0.02 % . . . stop_ save_ save_Pol_X_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Pol_X . mM 0.6 1.0 . PIPES 20 mM . . . NaCl 500 mM . . . DTT 10 mM . . . AEBSF 0.5 mM . . . 'sodium azide' 0.02 % . . . stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Saveframe_category software _Name nmrPipe _Version . loop_ _Task 'NMR data procesing' stop_ _Details ; Used an in-house developed web site to generate the nmrPipe scripts used for processing. ; _Citation_label $ref_NMRPipe save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Task 'NMR data analysis' stop_ _Details . _Citation_label $ref_XEASY save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_NMR_spectrometer2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_15N-edited_NOESY-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited NOESY-HSQC' _Sample_label . save_ save_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_HNHB_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _Sample_label . save_ save_HCC(CO)NH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCC(CO)NH-TOCSY _Sample_label . save_ save_CC(CO)NH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name CC(CO)NH-TOCSY _Sample_label . save_ save_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_1H-13C_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _Sample_label . save_ save_13C-edited_NOESY-HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited NOESY-HSQC' _Sample_label . save_ save_13C-edited_HSQC-NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited HSQC-NOESY' _Sample_label . save_ save_2D_TOCSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label . save_ save_2D_NOESY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCC(CO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name CC(CO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_15 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited HSQC-NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Pol_X_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.25 n/a temperature 298 0.2 K 'ionic strength' 500 . mM 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_Pol_X_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $Pol_X_sample_1 $Pol_X_sample_2 $Pol_X_sample_3 stop_ _Sample_conditions_label $Pol_X_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Pol X' _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 C C 172.1 0.3 1 2 . 2 LEU N N 121.7 0.25 1 3 . 2 LEU H H 8.99 0.02 1 4 . 2 LEU CA C 54.5 0.3 1 5 . 2 LEU HA H 4.96 0.02 1 6 . 2 LEU CB C 43.8 0.3 1 7 . 2 LEU HB2 H 1.73 0.02 2 8 . 2 LEU HB3 H 1.65 0.02 2 9 . 2 LEU CG C 26.4 0.3 1 10 . 2 LEU HG H 1.53 0.02 1 11 . 2 LEU HD1 H 0.53 0.02 2 12 . 2 LEU HD2 H 0.42 0.02 2 13 . 2 LEU CD1 C 25.1 0.3 1 14 . 2 LEU CD2 C 26.1 0.3 1 15 . 2 LEU C C 175.6 0.3 1 16 . 3 THR N N 112.6 0.25 1 17 . 3 THR H H 8.61 0.02 1 18 . 3 THR CA C 60.7 0.3 1 19 . 3 THR HA H 5.06 0.02 1 20 . 3 THR CB C 71.2 0.3 1 21 . 3 THR HB H 4.88 0.02 1 22 . 3 THR HG2 H 1.47 0.02 1 23 . 3 THR CG2 C 22.1 0.3 1 24 . 3 THR C C 175.9 0.3 1 25 . 4 LEU N N 122.2 0.25 1 26 . 4 LEU H H 7.83 0.02 1 27 . 4 LEU CA C 58.5 0.3 1 28 . 4 LEU HA H 4.05 0.02 1 29 . 4 LEU CB C 40.7 0.3 1 30 . 4 LEU HB2 H 2.51 0.02 2 31 . 4 LEU HB3 H 1.78 0.02 2 32 . 4 LEU CG C 27.2 0.3 1 33 . 4 LEU HG H 1.49 0.02 1 34 . 4 LEU HD1 H 0.86 0.02 2 35 . 4 LEU HD2 H 1.20 0.02 2 36 . 4 LEU CD1 C 25.9 0.3 1 37 . 4 LEU CD2 C 23.4 0.3 1 38 . 4 LEU C C 178.4 0.3 1 39 . 5 ILE N N 115.4 0.25 1 40 . 5 ILE H H 7.78 0.02 1 41 . 5 ILE CA C 64.3 0.3 1 42 . 5 ILE HA H 3.80 0.02 1 43 . 5 ILE CB C 37.9 0.3 1 44 . 5 ILE HB H 1.91 0.02 1 45 . 5 ILE HG2 H 1.03 0.02 1 46 . 5 ILE CG2 C 17.7 0.3 1 47 . 5 ILE CG1 C 29.3 0.3 1 48 . 5 ILE HG12 H 1.68 0.02 2 49 . 5 ILE HG13 H 1.39 0.02 2 50 . 5 ILE HD1 H 1.01 0.02 1 51 . 5 ILE CD1 C 13.0 0.3 1 52 . 5 ILE C C 178.6 0.3 1 53 . 6 GLN N N 121.4 0.25 1 54 . 6 GLN H H 7.82 0.02 1 55 . 6 GLN CA C 58.7 0.3 1 56 . 6 GLN HA H 4.14 0.02 1 57 . 6 GLN CB C 29.1 0.3 1 58 . 6 GLN HB2 H 2.40 0.02 2 59 . 6 GLN HB3 H 2.00 0.02 2 60 . 6 GLN CG C 34.3 0.3 1 61 . 6 GLN HG2 H 2.54 0.02 2 62 . 6 GLN HG3 H 2.44 0.02 2 63 . 6 GLN NE2 N 111.0 0.25 1 64 . 6 GLN HE21 H 7.02 0.02 2 65 . 6 GLN HE22 H 7.30 0.02 2 66 . 6 GLN C C 179.0 0.3 1 67 . 7 GLY N N 107.5 0.25 1 68 . 7 GLY H H 8.80 0.02 1 69 . 7 GLY CA C 47.3 0.3 1 70 . 7 GLY HA2 H 3.42 0.02 2 71 . 7 GLY C C 174.7 0.3 1 72 . 8 LYS N N 120.7 0.25 1 73 . 8 LYS H H 8.65 0.02 1 74 . 8 LYS CA C 60.6 0.3 1 75 . 8 LYS HA H 3.87 0.02 1 76 . 8 LYS CB C 32.4 0.3 1 77 . 8 LYS HB2 H 1.90 0.02 2 78 . 8 LYS CG C 27.0 0.3 1 79 . 8 LYS HG2 H 1.40 0.02 2 80 . 8 LYS CD C 30.0 0.3 1 81 . 8 LYS HD2 H 1.70 0.02 2 82 . 8 LYS CE C 41.7 0.3 1 83 . 8 LYS HE2 H 2.88 0.02 2 84 . 8 LYS C C 179.5 0.3 1 85 . 9 LYS N N 120.3 0.25 1 86 . 9 LYS H H 7.88 0.02 1 87 . 9 LYS CA C 59.8 0.3 1 88 . 9 LYS HA H 4.14 0.02 1 89 . 9 LYS CB C 32.8 0.3 1 90 . 9 LYS HB2 H 2.14 0.02 2 91 . 9 LYS HB3 H 2.09 0.02 2 92 . 9 LYS CG C 25.9 0.3 1 93 . 9 LYS HG2 H 1.85 0.02 2 94 . 9 LYS HG3 H 1.61 0.02 2 95 . 9 LYS CD C 29.7 0.3 1 96 . 9 LYS HD2 H 1.90 0.02 2 97 . 9 LYS CE C 42.3 0.3 1 98 . 9 LYS HE2 H 3.11 0.02 2 99 . 9 LYS C C 179.9 0.3 1 100 . 10 ILE N N 121.2 0.25 1 101 . 10 ILE H H 7.90 0.02 1 102 . 10 ILE CA C 64.9 0.3 1 103 . 10 ILE HA H 2.93 0.02 1 104 . 10 ILE CB C 37.3 0.3 1 105 . 10 ILE HB H 1.53 0.02 1 106 . 10 ILE HG2 H 0.46 0.02 1 107 . 10 ILE CG2 C 16.6 0.3 1 108 . 10 ILE CG1 C 28.5 0.3 1 109 . 10 ILE HG12 H -0.66 0.02 2 110 . 10 ILE HG13 H 0.75 0.02 2 111 . 10 ILE HD1 H -0.07 0.02 1 112 . 10 ILE CD1 C 13.9 0.3 1 113 . 10 ILE C C 177.8 0.3 1 114 . 11 VAL N N 120.0 0.25 1 115 . 11 VAL H H 8.08 0.02 1 116 . 11 VAL CA C 67.9 0.3 1 117 . 11 VAL HA H 3.29 0.02 1 118 . 11 VAL CB C 31.0 0.3 1 119 . 11 VAL HB H 2.10 0.02 1 120 . 11 VAL HG1 H 0.90 0.02 2 121 . 11 VAL HG2 H 0.98 0.02 2 122 . 11 VAL CG1 C 21.8 0.3 1 123 . 11 VAL CG2 C 25.1 0.3 1 124 . 11 VAL C C 179.2 0.3 1 125 . 12 ASN N N 116.3 0.25 1 126 . 12 ASN H H 8.09 0.02 1 127 . 12 ASN CA C 56.6 0.3 1 128 . 12 ASN HA H 4.40 0.02 1 129 . 12 ASN CB C 38.4 0.3 1 130 . 12 ASN HB2 H 2.93 0.02 2 131 . 12 ASN ND2 N 113.8 0.25 1 132 . 12 ASN HD21 H 7.03 0.02 2 133 . 12 ASN HD22 H 7.73 0.02 2 134 . 12 ASN C C 177.4 0.3 1 135 . 13 HIS N N 119.4 0.25 1 136 . 13 HIS H H 7.85 0.02 1 137 . 13 HIS CA C 58.9 0.3 1 138 . 13 HIS HA H 4.28 0.02 1 139 . 13 HIS CB C 31.6 0.3 1 140 . 13 HIS HB2 H 3.19 0.02 2 141 . 13 HIS C C 177.7 0.3 1 142 . 14 LEU N N 116.1 0.25 1 143 . 14 LEU H H 8.37 0.02 1 144 . 14 LEU CA C 57.4 0.3 1 145 . 14 LEU HA H 3.86 0.02 1 146 . 14 LEU CB C 42.3 0.3 1 147 . 14 LEU HB2 H 1.84 0.02 2 148 . 14 LEU HB3 H 1.22 0.02 2 149 . 14 LEU CG C 27.2 0.3 1 150 . 14 LEU HG H 0.68 0.02 1 151 . 14 LEU HD1 H 0.76 0.02 2 152 . 14 LEU CD1 C 23.7 0.3 1 153 . 14 LEU C C 174.6 0.3 1 154 . 15 ARG N N 115.6 0.25 1 155 . 15 ARG H H 8.07 0.02 1 156 . 15 ARG CA C 60.4 0.3 1 157 . 15 ARG HA H 3.90 0.02 1 158 . 15 ARG CB C 30.1 0.3 1 159 . 15 ARG HB2 H 2.03 0.02 2 160 . 15 ARG HB3 H 1.92 0.02 2 161 . 15 ARG CG C 28.4 0.3 1 162 . 15 ARG HG2 H 1.74 0.02 2 163 . 15 ARG HG3 H 1.97 0.02 2 164 . 15 ARG CD C 43.4 0.3 1 165 . 15 ARG HD2 H 3.26 0.02 2 166 . 15 ARG NE N 114.2 0.25 1 167 . 15 ARG HE H 7.49 0.02 1 168 . 15 ARG C C 176.3 0.3 1 169 . 16 SER N N 108.7 0.25 1 170 . 16 SER H H 7.06 0.02 1 171 . 16 SER CA C 57.6 0.3 1 172 . 16 SER HA H 4.90 0.02 1 173 . 16 SER CB C 64.1 0.3 1 174 . 16 SER HB2 H 3.85 0.02 2 175 . 16 SER HB3 H 4.17 0.02 2 176 . 16 SER C C 176.2 0.3 1 177 . 17 ARG N N 122.6 0.25 1 178 . 17 ARG H H 7.91 0.02 1 179 . 17 ARG CA C 56.8 0.3 1 180 . 17 ARG HA H 4.56 0.02 1 181 . 17 ARG CB C 32.4 0.3 1 182 . 17 ARG HB2 H 1.62 0.02 2 183 . 17 ARG HB3 H 1.51 0.02 2 184 . 17 ARG CG C 29.1 0.3 1 185 . 17 ARG HG2 H 1.31 0.02 2 186 . 17 ARG HG3 H 1.17 0.02 2 187 . 17 ARG CD C 41.7 0.3 1 188 . 17 ARG HD2 H 2.48 0.02 2 189 . 17 ARG HD3 H 2.32 0.02 2 190 . 17 ARG NE N 116.1 0.25 1 191 . 17 ARG HE H 7.50 0.02 1 192 . 17 ARG C C 174.6 0.3 1 193 . 18 LEU N N 122.1 0.25 1 194 . 18 LEU H H 8.85 0.02 1 195 . 18 LEU CA C 55.1 0.3 1 196 . 18 LEU HA H 5.02 0.02 1 197 . 18 LEU CB C 44.5 0.3 1 198 . 18 LEU HB2 H 1.96 0.02 2 199 . 18 LEU HB3 H 1.34 0.02 2 200 . 18 LEU HD1 H 0.78 0.02 2 201 . 18 LEU HD2 H 0.72 0.02 2 202 . 18 LEU CD1 C 24.7 0.3 1 203 . 18 LEU CD2 C 25.8 0.3 1 204 . 18 LEU C C 176.3 0.3 1 205 . 19 ALA N N 126.0 0.25 1 206 . 19 ALA H H 8.74 0.02 1 207 . 19 ALA CA C 51.3 0.3 1 208 . 19 ALA HA H 5.15 0.02 1 209 . 19 ALA HB H 1.27 0.02 1 210 . 19 ALA CB C 24.0 0.3 1 211 . 19 ALA C C 173.9 0.3 1 212 . 20 PHE N N 114.0 0.25 1 213 . 20 PHE H H 8.91 0.02 1 214 . 20 PHE CA C 56.3 0.3 1 215 . 20 PHE HA H 5.59 0.02 1 216 . 20 PHE CB C 43.0 0.3 1 217 . 20 PHE HB2 H 3.21 0.02 2 218 . 20 PHE HB3 H 3.04 0.02 2 219 . 20 PHE HD1 H 7.08 0.02 1 220 . 20 PHE HD2 H 7.08 0.02 1 221 . 20 PHE HE1 H 7.15 0.02 1 222 . 20 PHE HE2 H 7.15 0.02 1 223 . 20 PHE HZ H 6.89 0.02 1 224 . 20 PHE C C 172.6 0.3 1 225 . 21 GLU N N 122.3 0.25 1 226 . 21 GLU H H 7.90 0.02 1 227 . 21 GLU CA C 55.4 0.3 1 228 . 21 GLU HA H 5.01 0.02 1 229 . 21 GLU CB C 31.5 0.3 1 230 . 21 GLU HB2 H 1.84 0.02 2 231 . 21 GLU HB3 H 2.11 0.02 2 232 . 21 GLU CG C 37.1 0.3 1 233 . 21 GLU HG2 H 2.05 0.02 2 234 . 21 GLU C C 174.9 0.3 1 235 . 22 TYR N N 126.0 0.25 1 236 . 22 TYR H H 8.94 0.02 1 237 . 22 TYR CA C 55.9 0.3 1 238 . 22 TYR HA H 4.85 0.02 1 239 . 22 TYR CB C 41.0 0.3 1 240 . 22 TYR HB2 H 2.67 0.02 2 241 . 22 TYR HB3 H 2.99 0.02 2 242 . 22 TYR HD1 H 6.67 0.02 1 243 . 22 TYR HD2 H 6.67 0.02 1 244 . 22 TYR HE1 H 6.47 0.02 1 245 . 22 TYR HE2 H 6.47 0.02 1 246 . 22 TYR C C 174.9 0.3 1 247 . 23 ASN N N 128.2 0.25 1 248 . 23 ASN H H 9.10 0.02 1 249 . 23 ASN CA C 53.5 0.3 1 250 . 23 ASN HA H 4.16 0.02 1 251 . 23 ASN CB C 36.9 0.3 1 252 . 23 ASN HB2 H 2.80 0.02 2 253 . 23 ASN HB3 H 1.90 0.02 2 254 . 23 ASN ND2 N 111.0 0.25 1 255 . 23 ASN HD21 H 6.49 0.02 2 256 . 23 ASN HD22 H 6.94 0.02 2 257 . 23 ASN C C 175.5 0.3 1 258 . 24 GLY N N 103.6 0.25 1 259 . 24 GLY H H 8.68 0.02 1 260 . 24 GLY CA C 45.3 0.3 1 261 . 24 GLY HA2 H 4.14 0.02 2 262 . 24 GLY HA3 H 3.67 0.02 2 263 . 24 GLY C C 173.7 0.3 1 264 . 25 GLN N N 119.6 0.25 1 265 . 25 GLN H H 7.70 0.02 1 266 . 25 GLN CA C 53.5 0.3 1 267 . 25 GLN HA H 4.61 0.02 1 268 . 25 GLN CB C 31.7 0.3 1 269 . 25 GLN HB2 H 2.02 0.02 2 270 . 25 GLN HB3 H 2.07 0.02 2 271 . 25 GLN CG C 33.5 0.3 1 272 . 25 GLN HG2 H 2.31 0.02 2 273 . 25 GLN NE2 N 112.1 0.25 1 274 . 25 GLN HE21 H 6.88 0.02 2 275 . 25 GLN HE22 H 7.49 0.02 2 276 . 25 GLN C C 179.5 0.3 1 277 . 26 LEU N N 124.6 0.25 1 278 . 26 LEU H H 8.55 0.02 1 279 . 26 LEU CA C 54.6 0.3 1 280 . 26 LEU HA H 4.50 0.02 1 281 . 26 LEU CB C 42.0 0.3 1 282 . 26 LEU HB2 H 1.53 0.02 2 283 . 26 LEU CG C 27.5 0.3 1 284 . 26 LEU HG H 1.36 0.02 1 285 . 26 LEU HD1 H 0.79 0.02 2 286 . 26 LEU CD1 C 24.5 0.3 1 287 . 26 LEU C C 176.0 0.3 1 288 . 27 ILE N N 130.4 0.25 1 289 . 27 ILE H H 8.98 0.02 1 290 . 27 ILE CA C 59.8 0.3 1 291 . 27 ILE HA H 4.05 0.02 1 292 . 27 ILE CB C 36.7 0.3 1 293 . 27 ILE HB H 0.72 0.02 1 294 . 27 ILE HG2 H 0.77 0.02 1 295 . 27 ILE CG2 C 17.7 0.3 1 296 . 27 ILE CG1 C 27.2 0.3 1 297 . 27 ILE HG12 H 1.00 0.02 2 298 . 27 ILE HG13 H 1.15 0.02 2 299 . 27 ILE HD1 H 0.71 0.02 1 300 . 27 ILE CD1 C 12.2 0.3 1 301 . 27 ILE C C 175.2 0.3 1 302 . 28 LYS N N 126.0 0.25 1 303 . 28 LYS H H 8.32 0.02 1 304 . 28 LYS CA C 57.4 0.3 1 305 . 28 LYS HA H 4.17 0.02 1 306 . 28 LYS CB C 32.9 0.3 1 307 . 28 LYS HB2 H 1.81 0.02 2 308 . 28 LYS CG C 25.2 0.3 1 309 . 28 LYS HG2 H 1.58 0.02 2 310 . 28 LYS HG3 H 1.40 0.02 2 311 . 28 LYS CD C 29.0 0.3 1 312 . 28 LYS HD2 H 1.76 0.02 2 313 . 28 LYS CE C 42.2 0.3 1 314 . 28 LYS HE2 H 3.06 0.02 2 315 . 28 LYS C C 176.8 0.3 1 316 . 29 ILE N N 126.2 0.25 1 317 . 29 ILE H H 8.15 0.02 1 318 . 29 ILE CA C 60.9 0.3 1 319 . 29 ILE HA H 4.26 0.02 1 320 . 29 ILE CB C 38.2 0.3 1 321 . 29 ILE HB H 1.62 0.02 1 322 . 29 ILE HG2 H 1.01 0.02 1 323 . 29 ILE CG2 C 17.7 0.3 1 324 . 29 ILE CG1 C 28.6 0.3 1 325 . 29 ILE HG13 H 1.81 0.02 2 326 . 29 ILE HD1 H 0.83 0.02 1 327 . 29 ILE CD1 C 13.8 0.3 1 328 . 29 ILE C C 175.8 0.3 1 329 . 30 LEU N N 129.0 0.25 1 330 . 30 LEU H H 9.14 0.02 1 331 . 30 LEU CA C 54.9 0.3 1 332 . 30 LEU HA H 4.37 0.02 1 333 . 30 LEU CB C 42.1 0.3 1 334 . 30 LEU HB2 H 1.85 0.02 2 335 . 30 LEU HB3 H 1.76 0.02 2 336 . 30 LEU CG C 25.9 0.3 1 337 . 30 LEU HG H 1.05 0.02 1 338 . 30 LEU HD1 H 0.97 0.02 2 339 . 30 LEU HD2 H 1.04 0.02 2 340 . 30 LEU CD1 C 22.6 0.3 1 341 . 30 LEU CD2 C 25.8 0.3 1 342 . 30 LEU C C 178.8 0.3 1 343 . 31 SER N N 117.7 0.25 1 344 . 31 SER H H 8.75 0.02 1 345 . 31 SER CA C 61.7 0.3 1 346 . 31 SER HA H 4.23 0.02 1 347 . 31 SER CB C 62.8 0.3 1 348 . 31 SER HB2 H 4.03 0.02 2 349 . 31 SER C C 177.5 0.3 1 350 . 32 LYS N N 115.6 0.25 1 351 . 32 LYS H H 8.22 0.02 1 352 . 32 LYS CA C 57.9 0.3 1 353 . 32 LYS HA H 4.32 0.02 1 354 . 32 LYS CB C 31.1 0.3 1 355 . 32 LYS HB2 H 1.87 0.02 2 356 . 32 LYS HB3 H 2.00 0.02 2 357 . 32 LYS CG C 23.7 0.3 1 358 . 32 LYS HG2 H 1.22 0.02 2 359 . 32 LYS HG3 H 1.45 0.02 2 360 . 32 LYS CD C 29.1 0.3 1 361 . 32 LYS HD2 H 1.74 0.02 2 362 . 32 LYS CE C 41.7 0.3 1 363 . 32 LYS HE2 H 3.02 0.02 2 364 . 32 LYS C C 176.2 0.3 1 365 . 33 ASN N N 118.8 0.25 1 366 . 33 ASN H H 8.00 0.02 1 367 . 33 ASN CA C 52.7 0.3 1 368 . 33 ASN HA H 5.03 0.02 1 369 . 33 ASN CB C 38.8 0.3 1 370 . 33 ASN HB2 H 4.01 0.02 2 371 . 33 ASN HB3 H 2.86 0.02 2 372 . 33 ASN ND2 N 112.8 0.25 1 373 . 33 ASN HD21 H 7.30 0.02 2 374 . 33 ASN HD22 H 8.18 0.02 2 375 . 33 ASN C C 172.4 0.3 1 376 . 34 ILE N N 119.5 0.25 1 377 . 34 ILE H H 7.58 0.02 1 378 . 34 ILE CA C 61.1 0.3 1 379 . 34 ILE HA H 4.88 0.02 1 380 . 34 ILE CB C 40.1 0.3 1 381 . 34 ILE HB H 1.92 0.02 1 382 . 34 ILE HG2 H 0.91 0.02 1 383 . 34 ILE CG2 C 16.0 0.3 1 384 . 34 ILE CG1 C 27.5 0.3 1 385 . 34 ILE HG12 H 1.38 0.02 2 386 . 34 ILE HG13 H 1.61 0.02 2 387 . 34 ILE HD1 H 0.71 0.02 1 388 . 34 ILE CD1 C 10.8 0.3 1 389 . 34 ILE C C 175.7 0.3 1 390 . 35 VAL N N 129.1 0.25 1 391 . 35 VAL H H 9.65 0.02 1 392 . 35 VAL CA C 60.5 0.3 1 393 . 35 VAL HA H 4.49 0.02 1 394 . 35 VAL CB C 35.5 0.3 1 395 . 35 VAL HB H 2.05 0.02 1 396 . 35 VAL HG1 H 0.99 0.02 2 397 . 35 VAL HG2 H 0.90 0.02 2 398 . 35 VAL CG1 C 20.7 0.3 1 399 . 35 VAL CG2 C 20.4 0.3 1 400 . 35 VAL C C 175.4 0.3 1 401 . 36 ALA N N 130.4 0.25 1 402 . 36 ALA H H 8.87 0.02 1 403 . 36 ALA CA C 52.9 0.3 1 404 . 36 ALA HA H 4.77 0.02 1 405 . 36 ALA HB H 1.44 0.02 1 406 . 36 ALA CB C 18.8 0.3 1 407 . 36 ALA C C 177.4 0.3 1 408 . 37 VAL N N 114.6 0.25 1 409 . 37 VAL H H 8.18 0.02 1 410 . 37 VAL CA C 59.5 0.3 1 411 . 37 VAL HA H 4.91 0.02 1 412 . 37 VAL CB C 33.8 0.3 1 413 . 37 VAL HB H 2.00 0.02 1 414 . 37 VAL HG1 H 0.77 0.02 2 415 . 37 VAL HG2 H 0.71 0.02 2 416 . 37 VAL CG1 C 18.2 0.3 1 417 . 37 VAL CG2 C 18.2 0.3 1 418 . 37 VAL C C 174.4 0.3 1 419 . 38 GLY N N 106.9 0.25 1 420 . 38 GLY H H 7.69 0.02 1 421 . 38 GLY CA C 46.1 0.3 1 422 . 38 GLY HA2 H 4.26 0.02 2 423 . 38 GLY HA3 H 3.88 0.02 2 424 . 39 SER H H 8.90 0.02 1 425 . 39 SER CA C 62.2 0.3 1 426 . 39 SER HA H 3.88 0.02 1 427 . 39 SER CB C 63.1 0.3 1 428 . 39 SER HB2 H 4.02 0.02 2 429 . 39 SER C C 175.6 0.3 1 430 . 40 LEU N N 121.4 0.25 1 431 . 40 LEU H H 8.22 0.02 1 432 . 40 LEU CA C 58.8 0.3 1 433 . 40 LEU HA H 4.05 0.02 1 434 . 40 LEU CB C 43.0 0.3 1 435 . 40 LEU HB2 H 1.85 0.02 2 436 . 40 LEU HB3 H 2.00 0.02 2 437 . 40 LEU CG C 27.5 0.3 1 438 . 40 LEU HG H 1.76 0.02 1 439 . 40 LEU HD1 H 0.93 0.02 2 440 . 40 LEU HD2 H 0.89 0.02 2 441 . 40 LEU CD1 C 26.7 0.3 1 442 . 40 LEU CD2 C 26.4 0.3 1 443 . 40 LEU C C 180.2 0.3 1 444 . 41 ARG N N 121.8 0.25 1 445 . 41 ARG H H 6.99 0.02 1 446 . 41 ARG CA C 59.0 0.3 1 447 . 41 ARG HA H 4.02 0.02 1 448 . 41 ARG CB C 29.3 0.3 1 449 . 41 ARG HB2 H 1.65 0.02 2 450 . 41 ARG CG C 29.3 0.3 1 451 . 41 ARG HG2 H 1.83 0.02 2 452 . 41 ARG CD C 41.5 0.3 1 453 . 41 ARG HD2 H 3.01 0.02 2 454 . 41 ARG NE N 113.3 0.25 1 455 . 41 ARG HE H 7.24 0.02 1 456 . 41 ARG C C 177.2 0.3 1 457 . 42 ARG N N 113.8 0.25 1 458 . 42 ARG H H 7.52 0.02 1 459 . 42 ARG CA C 57.3 0.3 1 460 . 42 ARG HA H 3.65 0.02 1 461 . 42 ARG CB C 30.5 0.3 1 462 . 42 ARG HB2 H 1.92 0.02 2 463 . 42 ARG CG C 28.8 0.3 1 464 . 42 ARG HG2 H 1.75 0.02 2 465 . 42 ARG CD C 43.9 0.3 1 466 . 42 ARG HD2 H 3.28 0.02 2 467 . 42 ARG NE N 113.3 0.25 1 468 . 42 ARG HE H 7.87 0.02 1 469 . 42 ARG C C 172.9 0.3 1 470 . 43 GLU N N 112.9 0.25 1 471 . 43 GLU H H 7.70 0.02 1 472 . 43 GLU CA C 57.1 0.3 1 473 . 43 GLU HA H 3.69 0.02 1 474 . 43 GLU CB C 26.4 0.3 1 475 . 43 GLU HB2 H 2.15 0.02 2 476 . 43 GLU CG C 36.7 0.3 1 477 . 43 GLU HG2 H 2.25 0.02 2 478 . 43 GLU C C 176.0 0.3 1 479 . 44 GLU N N 119.2 0.25 1 480 . 44 GLU H H 7.41 0.02 1 481 . 44 GLU CA C 57.4 0.3 1 482 . 44 GLU HA H 4.19 0.02 1 483 . 44 GLU CB C 29.5 0.3 1 484 . 44 GLU HB2 H 2.21 0.02 2 485 . 44 GLU CG C 37.6 0.3 1 486 . 44 GLU HG2 H 2.45 0.02 2 487 . 44 GLU C C 177.3 0.3 1 488 . 45 LYS N N 116.9 0.25 1 489 . 45 LYS H H 8.09 0.02 1 490 . 45 LYS CA C 59.7 0.3 1 491 . 45 LYS HA H 3.94 0.02 1 492 . 45 LYS CB C 33.2 0.3 1 493 . 45 LYS HB2 H 1.95 0.02 2 494 . 45 LYS HB3 H 1.71 0.02 2 495 . 45 LYS CG C 25.6 0.3 1 496 . 45 LYS HG2 H 1.60 0.02 2 497 . 45 LYS HG3 H 1.72 0.02 2 498 . 45 LYS CD C 29.1 0.3 1 499 . 45 LYS HD2 H 1.82 0.02 2 500 . 45 LYS CE C 41.7 0.3 1 501 . 45 LYS HE2 H 3.09 0.02 2 502 . 45 LYS C C 177.7 0.3 1 503 . 46 MET N N 115.2 0.25 1 504 . 46 MET H H 7.72 0.02 1 505 . 46 MET CA C 52.7 0.3 1 506 . 46 MET HA H 5.19 0.02 1 507 . 46 MET CB C 34.3 0.3 1 508 . 46 MET HB2 H 1.97 0.02 2 509 . 46 MET HB3 H 2.43 0.02 2 510 . 46 MET CG C 32.5 0.3 1 511 . 46 MET HG2 H 2.71 0.02 2 512 . 46 MET HG3 H 2.46 0.02 2 513 . 46 MET HE H 2.07 0.02 1 514 . 46 MET CE C 16.6 0.3 1 515 . 46 MET C C 174.6 0.3 1 516 . 47 LEU N N 120.9 0.25 1 517 . 47 LEU H H 9.42 0.02 1 518 . 47 LEU CA C 53.2 0.3 1 519 . 47 LEU HA H 4.68 0.02 1 520 . 47 LEU CB C 43.3 0.3 1 521 . 47 LEU HB2 H 1.64 0.02 2 522 . 47 LEU HB3 H 1.84 0.02 2 523 . 47 LEU CG C 27.2 0.3 1 524 . 47 LEU HG H 1.52 0.02 1 525 . 47 LEU HD1 H 0.82 0.02 2 526 . 47 LEU HD2 H 0.88 0.02 2 527 . 47 LEU CD1 C 23.7 0.3 1 528 . 47 LEU CD2 C 23.7 0.3 1 529 . 47 LEU C C 176.5 0.3 1 530 . 48 ASN N N 119.3 0.25 1 531 . 48 ASN H H 9.21 0.02 1 532 . 48 ASN CA C 54.3 0.3 1 533 . 48 ASN HA H 4.96 0.02 1 534 . 48 ASN CB C 40.4 0.3 1 535 . 48 ASN HB2 H 2.90 0.02 2 536 . 48 ASN HB3 H 2.71 0.02 2 537 . 48 ASN ND2 N 112.6 0.25 1 538 . 48 ASN HD21 H 6.92 0.02 2 539 . 48 ASN HD22 H 7.55 0.02 2 540 . 48 ASN C C 174.6 0.3 1 541 . 49 ASP N N 116.3 0.25 1 542 . 49 ASP H H 7.88 0.02 1 543 . 49 ASP CA C 52.4 0.3 1 544 . 49 ASP HA H 4.81 0.02 1 545 . 49 ASP CB C 42.5 0.3 1 546 . 49 ASP HB2 H 2.74 0.02 2 547 . 49 ASP HB3 H 2.70 0.02 2 548 . 49 ASP C C 173.2 0.3 1 549 . 50 VAL N N 118.9 0.25 1 550 . 50 VAL H H 8.28 0.02 1 551 . 50 VAL CA C 62.2 0.3 1 552 . 50 VAL HA H 4.11 0.02 1 553 . 50 VAL CB C 32.7 0.3 1 554 . 50 VAL HB H 2.00 0.02 1 555 . 50 VAL HG1 H 0.66 0.02 2 556 . 50 VAL HG2 H 0.77 0.02 2 557 . 50 VAL CG1 C 21.8 0.3 1 558 . 50 VAL CG2 C 21.5 0.3 1 559 . 50 VAL C C 173.2 0.3 1 560 . 51 ASP N N 127.1 0.25 1 561 . 51 ASP H H 8.17 0.02 1 562 . 51 ASP CA C 52.1 0.3 1 563 . 51 ASP HA H 4.81 0.02 1 564 . 51 ASP CB C 42.8 0.3 1 565 . 51 ASP HB2 H 2.84 0.02 2 566 . 51 ASP HB3 H 2.65 0.02 2 567 . 51 ASP C C 174.5 0.3 1 568 . 52 LEU N N 121.6 0.25 1 569 . 52 LEU H H 8.99 0.02 1 570 . 52 LEU CA C 53.2 0.3 1 571 . 52 LEU HA H 4.96 0.02 1 572 . 52 LEU CB C 45.4 0.3 1 573 . 52 LEU HB2 H 1.12 0.02 2 574 . 52 LEU CG C 25.3 0.3 1 575 . 52 LEU HG H 1.97 0.02 1 576 . 52 LEU HD1 H 0.78 0.02 2 577 . 52 LEU HD2 H 0.67 0.02 2 578 . 52 LEU CD1 C 24.0 0.3 1 579 . 52 LEU CD2 C 25.1 0.3 1 580 . 52 LEU C C 173.3 0.3 1 581 . 53 LEU N N 123.9 0.25 1 582 . 53 LEU H H 9.24 0.02 1 583 . 53 LEU HA H 4.80 0.02 1 584 . 53 LEU HD1 H 0.73 0.02 2 585 . 53 LEU C C 177.1 0.3 1 586 . 54 ILE N N 127.4 0.25 1 587 . 54 ILE H H 9.40 0.02 1 588 . 54 ILE HA H 4.89 0.02 1 589 . 54 ILE HB H 1.77 0.02 1 590 . 54 ILE HG12 H 1.46 0.02 2 591 . 54 ILE HG13 H 1.09 0.02 2 592 . 54 ILE HD1 H 0.70 0.02 1 593 . 54 ILE CD1 C 14.1 0.3 1 594 . 54 ILE C C 177.8 0.3 1 595 . 55 ILE N N 119.5 0.25 1 596 . 55 ILE H H 7.63 0.02 1 597 . 55 ILE CA C 54.7 0.3 1 598 . 55 ILE HA H 3.94 0.02 1 599 . 55 ILE CB C 39.8 0.3 1 600 . 55 ILE HB H 1.77 0.02 1 601 . 55 ILE HG2 H 0.80 0.02 1 602 . 55 ILE CG2 C 17.7 0.3 1 603 . 55 ILE HG12 H 1.40 0.02 2 604 . 55 ILE HG13 H 1.60 0.02 2 605 . 55 ILE HD1 H 0.71 0.02 1 606 . 55 ILE C C 175.8 0.3 1 607 . 56 VAL N N 129.5 0.25 1 608 . 56 VAL H H 9.12 0.02 1 609 . 56 VAL CA C 59.2 0.3 1 610 . 56 VAL HA H 4.43 0.02 1 611 . 56 VAL CB C 33.5 0.3 1 612 . 56 VAL HB H 1.97 0.02 1 613 . 56 VAL HG1 H 0.89 0.02 2 614 . 56 VAL CG1 C 22.0 0.3 1 615 . 57 PRO CD C 51.6 0.3 1 616 . 57 PRO CA C 65.0 0.3 1 617 . 57 PRO HA H 4.46 0.02 1 618 . 57 PRO CB C 33.2 0.3 1 619 . 57 PRO HB2 H 2.48 0.02 2 620 . 57 PRO HB3 H 2.17 0.02 2 621 . 57 PRO CG C 27.5 0.3 1 622 . 57 PRO HG2 H 2.13 0.02 1 623 . 57 PRO HG3 H 2.13 0.02 1 624 . 57 PRO HD2 H 3.96 0.02 2 625 . 57 PRO HD3 H 4.08 0.02 2 626 . 57 PRO C C 176.4 0.3 1 627 . 58 GLU N N 114.3 0.25 1 628 . 58 GLU H H 6.83 0.02 1 629 . 58 GLU CA C 54.6 0.3 1 630 . 58 GLU HA H 4.83 0.02 1 631 . 58 GLU CB C 32.4 0.3 1 632 . 58 GLU HB2 H 1.97 0.02 2 633 . 58 GLU HB3 H 2.19 0.02 2 634 . 58 GLU CG C 36.0 0.3 1 635 . 58 GLU HG2 H 2.33 0.02 2 636 . 58 GLU HG3 H 2.20 0.02 2 637 . 58 GLU C C 176.0 0.3 1 638 . 59 LYS N N 126.7 0.25 1 639 . 59 LYS H H 9.01 0.02 1 640 . 59 LYS CA C 60.3 0.3 1 641 . 59 LYS HA H 3.93 0.02 1 642 . 59 LYS CB C 32.4 0.3 1 643 . 59 LYS HB2 H 1.97 0.02 2 644 . 59 LYS HB3 H 2.04 0.02 2 645 . 59 LYS CG C 25.0 0.3 1 646 . 59 LYS HG2 H 1.56 0.02 2 647 . 59 LYS CD C 29.5 0.3 1 648 . 59 LYS HD2 H 1.80 0.02 2 649 . 59 LYS CE C 42.0 0.3 1 650 . 59 LYS HE2 H 3.07 0.02 2 651 . 59 LYS C C 179.1 0.3 1 652 . 60 LYS N N 117.9 0.25 1 653 . 60 LYS H H 9.04 0.02 1 654 . 60 LYS CA C 58.6 0.3 1 655 . 60 LYS HA H 4.31 0.02 1 656 . 60 LYS CB C 32.2 0.3 1 657 . 60 LYS HB2 H 1.95 0.02 2 658 . 60 LYS CG C 24.6 0.3 1 659 . 60 LYS HG2 H 1.49 0.02 2 660 . 60 LYS CD C 31.6 0.3 1 661 . 60 LYS HD2 H 1.98 0.02 2 662 . 60 LYS CE C 42.4 0.3 1 663 . 60 LYS HE2 H 3.03 0.02 2 664 . 60 LYS C C 177.1 0.3 1 665 . 61 LEU N N 115.5 0.25 1 666 . 61 LEU H H 7.43 0.02 1 667 . 61 LEU CA C 55.4 0.3 1 668 . 61 LEU HA H 4.27 0.02 1 669 . 61 LEU CB C 42.1 0.3 1 670 . 61 LEU HB2 H 1.75 0.02 2 671 . 61 LEU HB3 H 1.37 0.02 2 672 . 61 LEU CG C 27.0 0.3 1 673 . 61 LEU HG H 1.48 0.02 1 674 . 61 LEU HD1 H 0.99 0.02 2 675 . 61 LEU HD2 H 0.46 0.02 2 676 . 61 LEU CD1 C 25.6 0.3 1 677 . 61 LEU CD2 C 21.8 0.3 1 678 . 61 LEU C C 178.6 0.3 1 679 . 62 LEU N N 119.6 0.25 1 680 . 62 LEU H H 7.47 0.02 1 681 . 62 LEU CA C 59.2 0.3 1 682 . 62 LEU HA H 3.88 0.02 1 683 . 62 LEU CB C 41.9 0.3 1 684 . 62 LEU HB2 H 1.70 0.02 2 685 . 62 LEU HB3 H 1.87 0.02 2 686 . 62 LEU CG C 27.0 0.3 1 687 . 62 LEU HG H 1.64 0.02 1 688 . 62 LEU HD1 H 0.90 0.02 2 689 . 62 LEU CD1 C 24.2 0.3 1 690 . 62 LEU C C 178.0 0.3 1 691 . 63 LYS N N 114.0 0.25 1 692 . 63 LYS H H 8.15 0.02 1 693 . 63 LYS CA C 58.1 0.3 1 694 . 63 LYS HA H 4.01 0.02 1 695 . 63 LYS CB C 31.6 0.3 1 696 . 63 LYS HB2 H 1.60 0.02 2 697 . 63 LYS HB3 H 1.55 0.02 2 698 . 63 LYS CG C 23.7 0.3 1 699 . 63 LYS HG2 H 1.20 0.02 2 700 . 63 LYS HG3 H 0.79 0.02 2 701 . 63 LYS CD C 28.9 0.3 1 702 . 63 LYS HD2 H 1.64 0.02 2 703 . 63 LYS CE C 41.7 0.3 1 704 . 63 LYS HE2 H 3.01 0.02 2 705 . 63 LYS C C 175.4 0.3 1 706 . 64 HIS N N 114.7 0.25 1 707 . 64 HIS H H 7.69 0.02 1 708 . 64 HIS CA C 56.2 0.3 1 709 . 64 HIS HA H 4.59 0.02 1 710 . 64 HIS CB C 33.3 0.3 1 711 . 64 HIS HB2 H 3.50 0.02 2 712 . 64 HIS HB3 H 2.94 0.02 2 713 . 64 HIS C C 176.4 0.3 1 714 . 65 VAL N N 118.4 0.25 1 715 . 65 VAL H H 6.92 0.02 1 716 . 65 VAL CA C 66.6 0.3 1 717 . 65 VAL HA H 3.02 0.02 1 718 . 65 VAL CB C 30.7 0.3 1 719 . 65 VAL HB H 1.82 0.02 1 720 . 65 VAL HG1 H 0.00 0.02 2 721 . 65 VAL HG2 H 0.40 0.02 2 722 . 65 VAL CG1 C 21.0 0.3 1 723 . 65 VAL CG2 C 20.4 0.3 1 724 . 67 PRO CA C 65.5 0.3 1 725 . 67 PRO HA H 4.52 0.02 1 726 . 67 PRO CB C 31.9 0.3 1 727 . 67 PRO HB2 H 2.47 0.02 2 728 . 67 PRO HB3 H 1.72 0.02 2 729 . 67 PRO CG C 28.3 0.3 1 730 . 67 PRO HG2 H 2.13 0.02 2 731 . 67 PRO HD2 H 3.77 0.02 2 732 . 67 PRO HD3 H 4.00 0.02 2 733 . 67 PRO C C 176.6 0.3 1 734 . 68 ASN N N 111.7 0.25 1 735 . 68 ASN H H 7.12 0.02 1 736 . 68 ASN CA C 51.4 0.3 1 737 . 68 ASN HA H 5.36 0.02 1 738 . 68 ASN CB C 41.0 0.3 1 739 . 68 ASN HB2 H 3.47 0.02 2 740 . 68 ASN C C 175.0 0.3 1 741 . 69 ILE N N 123.0 0.25 1 742 . 69 ILE H H 7.27 0.02 1 743 . 69 ILE CA C 60.3 0.3 1 744 . 69 ILE HA H 4.66 0.02 1 745 . 69 ILE CB C 39.5 0.3 1 746 . 69 ILE HB H 2.34 0.02 1 747 . 69 ILE HG2 H 0.88 0.02 1 748 . 69 ILE CG2 C 19.0 0.3 1 749 . 69 ILE CG1 C 27.2 0.3 1 750 . 69 ILE HG12 H 1.52 0.02 2 751 . 69 ILE HG13 H 0.91 0.02 2 752 . 69 ILE HD1 H 0.85 0.02 1 753 . 69 ILE CD1 C 14.1 0.3 1 754 . 70 ARG H H 9.02 0.02 1 755 . 70 ARG C C 174.6 0.3 1 756 . 71 ILE N N 119.5 0.25 1 757 . 71 ILE H H 7.66 0.02 1 758 . 71 ILE CA C 60.3 0.3 1 759 . 71 ILE HA H 4.72 0.02 1 760 . 71 ILE CB C 39.1 0.3 1 761 . 71 ILE HB H 1.79 0.02 1 762 . 71 ILE HG2 H 0.76 0.02 1 763 . 71 ILE CG2 C 18.8 0.3 1 764 . 71 ILE CG1 C 26.2 0.3 1 765 . 71 ILE HG12 H 0.99 0.02 2 766 . 71 ILE HG13 H 0.68 0.02 2 767 . 71 ILE HD1 H 0.17 0.02 1 768 . 71 ILE CD1 C 13.0 0.3 1 769 . 71 ILE C C 175.6 0.3 1 770 . 72 LYS N N 128.3 0.25 1 771 . 72 LYS H H 8.70 0.02 1 772 . 72 LYS CA C 58.1 0.3 1 773 . 72 LYS HA H 4.31 0.02 1 774 . 72 LYS CB C 32.5 0.3 1 775 . 72 LYS HB2 H 1.94 0.02 2 776 . 72 LYS CG C 24.8 0.3 1 777 . 72 LYS HG2 H 1.50 0.02 2 778 . 72 LYS HG3 H 1.33 0.02 2 779 . 72 LYS CD C 29.2 0.3 1 780 . 72 LYS HD2 H 1.78 0.02 2 781 . 72 LYS CE C 42.0 0.3 1 782 . 72 LYS HE3 H 3.04 0.02 2 783 . 72 LYS C C 177.7 0.3 1 784 . 73 GLY N N 113.5 0.25 1 785 . 73 GLY H H 8.92 0.02 1 786 . 73 GLY CA C 46.4 0.3 1 787 . 73 GLY HA2 H 4.28 0.02 2 788 . 73 GLY HA3 H 3.91 0.02 2 789 . 73 GLY C C 173.9 0.3 1 790 . 74 LEU N N 120.0 0.25 1 791 . 74 LEU H H 7.50 0.02 1 792 . 74 LEU CA C 54.1 0.3 1 793 . 74 LEU HA H 5.03 0.02 1 794 . 74 LEU CB C 45.3 0.3 1 795 . 74 LEU HB2 H 1.64 0.02 2 796 . 74 LEU HB3 H 1.94 0.02 2 797 . 74 LEU CG C 27.2 0.3 1 798 . 74 LEU HG H 1.93 0.02 1 799 . 74 LEU HD1 H 1.18 0.02 2 800 . 74 LEU CD1 C 25.6 0.3 1 801 . 74 LEU C C 175.9 0.3 1 802 . 75 SER N N 119.5 0.25 1 803 . 75 SER H H 9.05 0.02 1 804 . 75 SER CA C 58.2 0.3 1 805 . 75 SER HA H 4.80 0.02 1 806 . 75 SER CB C 63.9 0.3 1 807 . 75 SER HB2 H 3.98 0.02 2 808 . 75 SER HB3 H 3.91 0.02 2 809 . 75 SER C C 173.2 0.3 1 810 . 76 PHE N N 118.9 0.25 1 811 . 76 PHE H H 8.15 0.02 1 812 . 76 PHE CA C 55.9 0.3 1 813 . 76 PHE HA H 5.82 0.02 1 814 . 76 PHE CB C 42.6 0.3 1 815 . 76 PHE HB2 H 3.02 0.02 2 816 . 76 PHE HB3 H 3.20 0.02 2 817 . 76 PHE HD1 H 7.12 0.02 1 818 . 76 PHE HD2 H 7.12 0.02 1 819 . 76 PHE HE1 H 7.52 0.02 1 820 . 76 PHE HE2 H 7.52 0.02 1 821 . 76 PHE C C 173.6 0.3 1 822 . 77 SER N N 114.6 0.25 1 823 . 77 SER H H 9.01 0.02 1 824 . 77 SER CA C 56.5 0.3 1 825 . 77 SER HA H 4.87 0.02 1 826 . 77 SER CB C 65.8 0.3 1 827 . 77 SER HB2 H 3.91 0.02 2 828 . 77 SER HB3 H 3.93 0.02 2 829 . 77 SER C C 173.4 0.3 1 830 . 78 VAL N N 124.7 0.25 1 831 . 78 VAL H H 9.05 0.02 1 832 . 78 VAL CA C 62.5 0.3 1 833 . 78 VAL HA H 4.39 0.02 1 834 . 78 VAL CB C 33.3 0.3 1 835 . 78 VAL HB H 2.18 0.02 1 836 . 78 VAL HG1 H 0.91 0.02 2 837 . 78 VAL HG2 H 1.17 0.02 2 838 . 78 VAL CG1 C 21.8 0.3 1 839 . 78 VAL CG2 C 21.2 0.3 1 840 . 78 VAL C C 176.0 0.3 1 841 . 79 LYS N N 129.8 0.25 1 842 . 79 LYS H H 9.18 0.02 1 843 . 79 LYS CA C 57.0 0.3 1 844 . 79 LYS HA H 4.53 0.02 1 845 . 79 LYS CB C 33.0 0.3 1 846 . 79 LYS HB2 H 1.74 0.02 2 847 . 79 LYS CG C 25.1 0.3 1 848 . 79 LYS HG2 H 1.36 0.02 2 849 . 79 LYS CD C 28.6 0.3 1 850 . 79 LYS HD2 H 1.63 0.02 2 851 . 79 LYS CE C 41.7 0.3 1 852 . 79 LYS HE2 H 2.89 0.02 2 853 . 80 VAL CA C 61.1 0.3 1 854 . 80 VAL HA H 4.41 0.02 1 855 . 80 VAL CB C 33.0 0.3 1 856 . 80 VAL HB H 2.07 0.02 1 857 . 80 VAL HG1 H 0.96 0.02 2 858 . 80 VAL HG2 H 1.01 0.02 2 859 . 80 VAL CG1 C 20.4 0.3 1 860 . 80 VAL C C 174.3 0.3 1 861 . 81 CYS N N 126.5 0.25 1 862 . 81 CYS H H 9.03 0.02 1 863 . 81 CYS HA H 4.39 0.02 1 864 . 81 CYS HB2 H 2.14 0.02 2 865 . 81 CYS HB3 H 2.68 0.02 2 866 . 81 CYS C C 172.4 0.3 1 867 . 82 GLY N N 118.2 0.25 1 868 . 82 GLY H H 8.21 0.02 1 869 . 82 GLY CA C 44.5 0.3 1 870 . 82 GLY HA2 H 4.49 0.02 2 871 . 82 GLY HA3 H 4.11 0.02 2 872 . 82 GLY C C 171.7 0.3 1 873 . 83 GLU N N 116.8 0.25 1 874 . 83 GLU H H 8.42 0.02 1 875 . 83 GLU CA C 59.3 0.3 1 876 . 83 GLU HA H 4.08 0.02 1 877 . 83 GLU CB C 30.7 0.3 1 878 . 83 GLU HB2 H 2.07 0.02 2 879 . 83 GLU HB3 H 2.01 0.02 2 880 . 83 GLU CG C 37.4 0.3 1 881 . 83 GLU HG2 H 2.33 0.02 2 882 . 83 GLU HG3 H 2.22 0.02 2 883 . 83 GLU C C 178.8 0.3 1 884 . 84 ARG N N 113.8 0.25 1 885 . 84 ARG H H 8.51 0.02 1 886 . 84 ARG CA C 54.3 0.3 1 887 . 84 ARG HA H 4.99 0.02 1 888 . 84 ARG CB C 33.0 0.3 1 889 . 84 ARG HB2 H 1.93 0.02 2 890 . 84 ARG HB3 H 2.07 0.02 2 891 . 84 ARG HG2 H 1.73 0.02 2 892 . 84 ARG HD2 H 2.45 0.02 2 893 . 84 ARG C C 175.8 0.3 1 894 . 85 LYS N N 118.9 0.25 1 895 . 85 LYS H H 6.95 0.02 1 896 . 85 LYS CA C 54.8 0.3 1 897 . 85 LYS HA H 5.30 0.02 1 898 . 85 LYS CB C 36.0 0.3 1 899 . 85 LYS HB2 H 1.91 0.02 2 900 . 85 LYS HB3 H 1.67 0.02 2 901 . 85 LYS CG C 25.3 0.3 1 902 . 85 LYS HG2 H 0.99 0.02 2 903 . 85 LYS CD C 30.0 0.3 1 904 . 85 LYS HD2 H 1.67 0.02 2 905 . 85 LYS CE C 42.0 0.3 1 906 . 85 LYS HE2 H 2.73 0.02 2 907 . 85 LYS C C 174.6 0.3 1 908 . 86 CYS N N 125.6 0.25 1 909 . 86 CYS H H 9.19 0.02 1 910 . 86 CYS CA C 56.0 0.3 1 911 . 86 CYS HA H 5.07 0.02 1 912 . 86 CYS CB C 31.1 0.3 1 913 . 86 CYS HB2 H 3.23 0.02 2 914 . 86 CYS HB3 H 2.74 0.02 2 915 . 86 CYS C C 171.7 0.3 1 916 . 87 VAL N N 126.5 0.25 1 917 . 87 VAL H H 8.79 0.02 1 918 . 87 VAL CA C 61.7 0.3 1 919 . 87 VAL HA H 4.88 0.02 1 920 . 87 VAL CB C 34.3 0.3 1 921 . 87 VAL HB H 1.89 0.02 1 922 . 87 VAL HG1 H 0.84 0.02 2 923 . 87 VAL HG2 H 0.92 0.02 2 924 . 87 VAL CG1 C 21.0 0.3 1 925 . 87 VAL CG2 C 21.0 0.3 1 926 . 87 VAL C C 174.4 0.3 1 927 . 88 LEU N N 127.2 0.25 1 928 . 88 LEU H H 9.55 0.02 1 929 . 88 LEU CA C 52.9 0.3 1 930 . 88 LEU HA H 5.38 0.02 1 931 . 88 LEU CB C 45.6 0.3 1 932 . 88 LEU HB2 H 1.80 0.02 2 933 . 88 LEU CG C 28.6 0.3 1 934 . 88 LEU HG H 1.71 0.02 1 935 . 88 LEU HD1 H 0.84 0.02 2 936 . 88 LEU CD1 C 26.4 0.3 1 937 . 88 LEU C C 175.3 0.3 1 938 . 89 PHE N N 120.0 0.25 1 939 . 89 PHE H H 9.04 0.02 1 940 . 89 PHE CA C 55.9 0.3 1 941 . 89 PHE HA H 5.69 0.02 1 942 . 89 PHE CB C 39.8 0.3 1 943 . 89 PHE HB2 H 2.90 0.02 2 944 . 89 PHE HB3 H 3.07 0.02 2 945 . 89 PHE HD1 H 7.17 0.02 1 946 . 89 PHE HD2 H 7.17 0.02 1 947 . 89 PHE HE1 H 7.37 0.02 1 948 . 89 PHE HE2 H 7.37 0.02 1 949 . 89 PHE HZ H 7.32 0.02 1 950 . 89 PHE C C 177.1 0.3 1 951 . 90 ILE N N 119.8 0.25 1 952 . 90 ILE H H 9.40 0.02 1 953 . 90 ILE CA C 59.2 0.3 1 954 . 90 ILE HA H 5.18 0.02 1 955 . 90 ILE CB C 41.4 0.3 1 956 . 90 ILE HB H 1.93 0.02 1 957 . 90 ILE HG2 H 0.97 0.02 1 958 . 90 ILE CG2 C 18.8 0.3 1 959 . 90 ILE CG1 C 26.7 0.3 1 960 . 90 ILE HG12 H 1.24 0.02 2 961 . 90 ILE HG13 H 1.20 0.02 2 962 . 90 ILE HD1 H 0.85 0.02 1 963 . 90 ILE CD1 C 14.7 0.3 1 964 . 90 ILE C C 173.8 0.3 1 965 . 91 GLU N N 123.7 0.25 1 966 . 91 GLU H H 8.31 0.02 1 967 . 91 GLU CA C 54.9 0.3 1 968 . 91 GLU HA H 5.28 0.02 1 969 . 91 GLU CB C 30.8 0.3 1 970 . 91 GLU HB2 H 2.11 0.02 2 971 . 91 GLU HB3 H 2.02 0.02 2 972 . 91 GLU CG C 36.5 0.3 1 973 . 91 GLU HG2 H 2.13 0.02 2 974 . 91 GLU HG3 H 2.04 0.02 2 975 . 91 GLU C C 175.6 0.3 1 976 . 92 TRP N N 126.8 0.25 1 977 . 92 TRP H H 9.37 0.02 1 978 . 92 TRP CA C 56.2 0.3 1 979 . 92 TRP HA H 4.94 0.02 1 980 . 92 TRP CB C 31.6 0.3 1 981 . 92 TRP HB2 H 3.39 0.02 2 982 . 92 TRP HB3 H 2.99 0.02 2 983 . 92 TRP NE1 N 129.3 0.25 1 984 . 92 TRP HD1 H 7.07 0.02 1 985 . 92 TRP HE3 H 7.51 0.02 1 986 . 92 TRP HE1 H 9.81 0.02 1 987 . 92 TRP HZ3 H 6.52 0.02 1 988 . 92 TRP HZ2 H 7.12 0.02 1 989 . 92 TRP HH2 H 6.79 0.02 1 990 . 92 TRP C C 175.1 0.3 1 991 . 93 GLU N N 127.4 0.25 1 992 . 93 GLU H H 8.95 0.02 1 993 . 93 GLU CA C 57.4 0.3 1 994 . 93 GLU HA H 3.60 0.02 1 995 . 93 GLU CB C 26.9 0.3 1 996 . 93 GLU HB2 H 1.88 0.02 2 997 . 93 GLU HB3 H 1.70 0.02 2 998 . 93 GLU CG C 35.4 0.3 1 999 . 93 GLU HG2 H 1.46 0.02 2 1000 . 93 GLU HG3 H 1.18 0.02 2 1001 . 93 GLU C C 175.7 0.3 1 1002 . 94 LYS N N 108.8 0.25 1 1003 . 94 LYS H H 8.62 0.02 1 1004 . 94 LYS CA C 57.8 0.3 1 1005 . 94 LYS HA H 3.82 0.02 1 1006 . 94 LYS CB C 29.7 0.3 1 1007 . 94 LYS HB2 H 2.06 0.02 2 1008 . 94 LYS HB3 H 2.20 0.02 2 1009 . 94 LYS CG C 25.4 0.3 1 1010 . 94 LYS HG2 H 1.38 0.02 2 1011 . 94 LYS HG3 H 1.39 0.02 2 1012 . 94 LYS CD C 28.9 0.3 1 1013 . 94 LYS HD2 H 1.67 0.02 2 1014 . 94 LYS HD3 H 1.72 0.02 2 1015 . 94 LYS CE C 42.0 0.3 1 1016 . 94 LYS HE2 H 3.02 0.02 2 1017 . 94 LYS C C 175.5 0.3 1 1018 . 95 LYS N N 121.4 0.25 1 1019 . 95 LYS H H 7.91 0.02 1 1020 . 95 LYS CA C 54.9 0.3 1 1021 . 95 LYS HA H 4.67 0.02 1 1022 . 95 LYS CB C 35.4 0.3 1 1023 . 95 LYS HB2 H 1.83 0.02 2 1024 . 95 LYS HB3 H 1.58 0.02 2 1025 . 95 LYS CG C 25.3 0.3 1 1026 . 95 LYS HG2 H 1.57 0.02 2 1027 . 95 LYS HG3 H 1.41 0.02 2 1028 . 95 LYS CD C 28.9 0.3 1 1029 . 95 LYS HD2 H 1.81 0.02 2 1030 . 95 LYS CE C 42.3 0.3 1 1031 . 95 LYS HE2 H 3.13 0.02 2 1032 . 95 LYS C C 174.5 0.3 1 1033 . 96 THR N N 116.0 0.25 1 1034 . 96 THR H H 7.93 0.02 1 1035 . 96 THR CA C 61.4 0.3 1 1036 . 96 THR HA H 5.37 0.02 1 1037 . 96 THR CB C 69.9 0.3 1 1038 . 96 THR HB H 3.80 0.02 1 1039 . 96 THR HG2 H 1.16 0.02 1 1040 . 96 THR CG2 C 22.1 0.3 1 1041 . 96 THR C C 174.4 0.3 1 1042 . 97 TYR N N 123.9 0.25 1 1043 . 97 TYR H H 9.15 0.02 1 1044 . 97 TYR CA C 56.2 0.3 1 1045 . 97 TYR HA H 4.93 0.02 1 1046 . 97 TYR CB C 42.3 0.3 1 1047 . 97 TYR HB2 H 2.96 0.02 2 1048 . 97 TYR HB3 H 2.47 0.02 2 1049 . 97 TYR HD1 H 7.08 0.02 1 1050 . 97 TYR HD2 H 7.08 0.02 1 1051 . 97 TYR HE1 H 7.04 0.02 1 1052 . 97 TYR HE2 H 7.04 0.02 1 1053 . 97 TYR C C 173.5 0.3 1 1054 . 98 GLN N N 123.3 0.25 1 1055 . 98 GLN H H 9.00 0.02 1 1056 . 98 GLN CA C 55.4 0.3 1 1057 . 98 GLN HA H 4.67 0.02 1 1058 . 98 GLN CB C 30.0 0.3 1 1059 . 98 GLN HB2 H 2.00 0.02 2 1060 . 98 GLN HG2 H 2.06 0.02 2 1061 . 98 GLN C C 173.1 0.3 1 1062 . 99 LEU N N 130.0 0.25 1 1063 . 99 LEU H H 9.20 0.02 1 1064 . 99 LEU CA C 53.1 0.3 1 1065 . 99 LEU HA H 5.21 0.02 1 1066 . 99 LEU HD1 H 0.53 0.02 2 1067 . 99 LEU CD1 C 26.1 0.3 1 1068 . 99 LEU C C 173.7 0.3 1 1069 . 100 ASP N N 125.4 0.25 1 1070 . 100 ASP H H 9.28 0.02 1 1071 . 100 ASP CA C 52.4 0.3 1 1072 . 100 ASP HA H 5.23 0.02 1 1073 . 100 ASP HB2 H 3.23 0.02 2 1074 . 100 ASP C C 172.8 0.3 1 1075 . 101 LEU N N 120.7 0.25 1 1076 . 101 LEU H H 8.55 0.02 1 1077 . 101 LEU CA C 52.4 0.3 1 1078 . 101 LEU HA H 5.23 0.02 1 1079 . 101 LEU CB C 45.8 0.3 1 1080 . 101 LEU HB2 H 1.72 0.02 2 1081 . 101 LEU HB3 H 1.11 0.02 2 1082 . 101 LEU CG C 27.8 0.3 1 1083 . 101 LEU HG H 1.38 0.02 1 1084 . 101 LEU HD1 H 0.67 0.02 2 1085 . 101 LEU HD2 H 0.73 0.02 2 1086 . 101 LEU CD1 C 26.4 0.3 1 1087 . 101 LEU CD2 C 24.0 0.3 1 1088 . 101 LEU C C 174.6 0.3 1 1089 . 102 PHE N N 119.1 0.25 1 1090 . 102 PHE H H 8.37 0.02 1 1091 . 102 PHE CA C 54.6 0.3 1 1092 . 102 PHE HA H 5.61 0.02 1 1093 . 102 PHE CB C 43.1 0.3 1 1094 . 102 PHE HB2 H 2.70 0.02 2 1095 . 102 PHE HD1 H 6.74 0.02 1 1096 . 102 PHE HD2 H 6.74 0.02 1 1097 . 102 PHE HE1 H 6.99 0.02 1 1098 . 102 PHE HE2 H 6.99 0.02 1 1099 . 102 PHE HZ H 7.14 0.02 1 1100 . 102 PHE C C 176.3 0.3 1 1101 . 103 THR N N 108.0 0.25 1 1102 . 103 THR H H 8.01 0.02 1 1103 . 103 THR CA C 58.1 0.3 1 1104 . 103 THR HA H 5.77 0.02 1 1105 . 103 THR CB C 72.1 0.3 1 1106 . 103 THR HB H 3.98 0.02 1 1107 . 103 THR HG2 H 1.11 0.02 1 1108 . 103 THR CG2 C 23.1 0.3 1 1109 . 103 THR C C 174.9 0.3 1 1110 . 104 ALA N N 122.6 0.25 1 1111 . 104 ALA H H 8.79 0.02 1 1112 . 104 ALA CA C 50.4 0.3 1 1113 . 104 ALA HA H 4.71 0.02 1 1114 . 104 ALA HB H 1.48 0.02 1 1115 . 104 ALA CB C 23.6 0.3 1 1116 . 104 ALA C C 175.7 0.3 1 1117 . 105 LEU N N 120.5 0.25 1 1118 . 105 LEU H H 8.33 0.02 1 1119 . 105 LEU CA C 53.8 0.3 1 1120 . 105 LEU HA H 5.02 0.02 1 1121 . 105 LEU CB C 42.9 0.3 1 1122 . 105 LEU HB2 H 1.47 0.02 2 1123 . 105 LEU HB3 H 2.07 0.02 2 1124 . 105 LEU CG C 25.6 0.3 1 1125 . 105 LEU HG H 1.06 0.02 1 1126 . 105 LEU HD1 H 0.88 0.02 2 1127 . 105 LEU HD2 H 0.97 0.02 2 1128 . 105 LEU CD1 C 24.2 0.3 1 1129 . 105 LEU CD2 C 23.1 0.3 1 1130 . 105 LEU C C 173.7 0.3 1 1131 . 106 ALA N N 124.6 0.25 1 1132 . 106 ALA H H 8.54 0.02 1 1133 . 106 ALA CA C 56.8 0.3 1 1134 . 106 ALA HA H 3.93 0.02 1 1135 . 106 ALA HB H 1.55 0.02 1 1136 . 106 ALA CB C 18.1 0.3 1 1137 . 106 ALA C C 180.8 0.3 1 1138 . 107 GLU N N 115.9 0.25 1 1139 . 107 GLU H H 9.74 0.02 1 1140 . 107 GLU CA C 58.9 0.3 1 1141 . 107 GLU HA H 4.36 0.02 1 1142 . 107 GLU CB C 28.6 0.3 1 1143 . 107 GLU HB2 H 2.26 0.02 2 1144 . 107 GLU CG C 36.5 0.3 1 1145 . 107 GLU HG2 H 2.48 0.02 2 1146 . 107 GLU C C 177.7 0.3 1 1147 . 108 GLU N N 115.7 0.25 1 1148 . 108 GLU H H 7.70 0.02 1 1149 . 108 GLU CA C 55.1 0.3 1 1150 . 108 GLU HA H 4.61 0.02 1 1151 . 108 GLU HB2 H 1.81 0.02 2 1152 . 108 GLU HB3 H 2.01 0.02 2 1153 . 108 GLU HG2 H 1.51 0.02 2 1154 . 108 GLU HG3 H 1.42 0.02 2 1155 . 109 LYS CA C 58.1 0.3 1 1156 . 109 LYS HA H 4.42 0.02 1 1157 . 109 LYS CB C 32.7 0.3 1 1158 . 109 LYS HB2 H 1.53 0.02 2 1159 . 109 LYS HB3 H 2.06 0.02 2 1160 . 109 LYS CG C 24.2 0.3 1 1161 . 109 LYS HG2 H 1.27 0.02 2 1162 . 109 LYS HG3 H 1.40 0.02 2 1163 . 109 LYS CD C 29.1 0.3 1 1164 . 109 LYS HD2 H 1.72 0.02 2 1165 . 109 LYS CE C 41.7 0.3 1 1166 . 109 LYS HE2 H 3.02 0.02 2 1167 . 110 PRO CD C 48.6 0.3 1 1168 . 110 PRO CA C 66.9 0.3 1 1169 . 110 PRO HA H 4.07 0.02 1 1170 . 110 PRO CB C 30.8 0.3 1 1171 . 110 PRO HB2 H 1.63 0.02 2 1172 . 110 PRO HB3 H 1.02 0.02 2 1173 . 110 PRO CG C 28.3 0.3 1 1174 . 110 PRO HG2 H 1.47 0.02 2 1175 . 110 PRO HD2 H 3.65 0.02 2 1176 . 110 PRO HD3 H 3.71 0.02 2 1177 . 110 PRO C C 177.2 0.3 1 1178 . 111 TYR N N 114.5 0.25 1 1179 . 111 TYR H H 6.52 0.02 1 1180 . 111 TYR CA C 59.5 0.3 1 1181 . 111 TYR HA H 3.92 0.02 1 1182 . 111 TYR CB C 36.6 0.3 1 1183 . 111 TYR HB2 H 3.53 0.02 2 1184 . 111 TYR HB3 H 2.98 0.02 2 1185 . 111 TYR HD1 H 7.06 0.02 1 1186 . 111 TYR HD2 H 7.06 0.02 1 1187 . 111 TYR HE1 H 6.84 0.02 1 1188 . 111 TYR HE2 H 6.84 0.02 1 1189 . 111 TYR C C 179.5 0.3 1 1190 . 112 ALA N N 124.8 0.25 1 1191 . 112 ALA H H 8.70 0.02 1 1192 . 112 ALA CA C 55.4 0.3 1 1193 . 112 ALA HA H 3.99 0.02 1 1194 . 112 ALA HB H 1.73 0.02 1 1195 . 112 ALA CB C 19.3 0.3 1 1196 . 112 ALA C C 179.1 0.3 1 1197 . 113 ILE N N 119.2 0.25 1 1198 . 113 ILE H H 8.82 0.02 1 1199 . 113 ILE CA C 67.0 0.3 1 1200 . 113 ILE HA H 3.49 0.02 1 1201 . 113 ILE CB C 38.5 0.3 1 1202 . 113 ILE HB H 1.79 0.02 1 1203 . 113 ILE HG2 H 0.93 0.02 1 1204 . 113 ILE CG2 C 16.6 0.3 1 1205 . 113 ILE CG1 C 30.5 0.3 1 1206 . 113 ILE HG12 H 1.90 0.02 2 1207 . 113 ILE HG13 H 0.78 0.02 2 1208 . 113 ILE HD1 H 0.94 0.02 1 1209 . 113 ILE CD1 C 14.9 0.3 1 1210 . 113 ILE C C 178.5 0.3 1 1211 . 114 PHE N N 122.6 0.25 1 1212 . 114 PHE H H 7.86 0.02 1 1213 . 114 PHE HD1 H 7.42 0.02 1 1214 . 114 PHE HD2 H 7.42 0.02 1 1215 . 114 PHE HE1 H 7.13 0.02 1 1216 . 114 PHE HE2 H 7.13 0.02 1 1217 . 114 PHE HZ H 6.98 0.02 1 1218 . 114 PHE C C 178.2 0.3 1 1219 . 115 HIS N N 117.7 0.25 1 1220 . 115 HIS H H 8.24 0.02 1 1221 . 115 HIS CA C 59.6 0.3 1 1222 . 115 HIS HA H 3.93 0.02 1 1223 . 115 HIS CB C 32.0 0.3 1 1224 . 115 HIS HB2 H 2.84 0.02 2 1225 . 115 HIS HB3 H 2.99 0.02 2 1226 . 115 HIS C C 177.2 0.3 1 1227 . 116 PHE N N 111.2 0.25 1 1228 . 116 PHE H H 8.72 0.02 1 1229 . 116 PHE CA C 59.8 0.3 1 1230 . 116 PHE HA H 4.20 0.02 1 1231 . 116 PHE CB C 37.9 0.3 1 1232 . 116 PHE HB2 H 3.12 0.02 2 1233 . 116 PHE HB3 H 2.65 0.02 2 1234 . 116 PHE HD1 H 7.05 0.02 1 1235 . 116 PHE HD2 H 7.05 0.02 1 1236 . 116 PHE HE1 H 6.68 0.02 1 1237 . 116 PHE HE2 H 6.68 0.02 1 1238 . 116 PHE C C 179.0 0.3 1 1239 . 117 THR N N 118.5 0.25 1 1240 . 117 THR H H 7.74 0.02 1 1241 . 117 THR CA C 67.4 0.3 1 1242 . 117 THR HA H 4.07 0.02 1 1243 . 117 THR CB C 68.2 0.3 1 1244 . 117 THR HB H 4.44 0.02 1 1245 . 117 THR HG2 H 1.18 0.02 1 1246 . 117 THR CG2 C 21.0 0.3 1 1247 . 117 THR C C 172.9 0.3 1 1248 . 118 GLY N N 107.3 0.25 1 1249 . 118 GLY H H 6.76 0.02 1 1250 . 118 GLY CA C 44.5 0.3 1 1251 . 118 GLY HA2 H 3.93 0.02 2 1252 . 118 GLY HA3 H 3.01 0.02 2 1253 . 119 PRO CA C 62.8 0.3 1 1254 . 119 PRO HA H 4.93 0.02 1 1255 . 119 PRO CB C 34.9 0.3 1 1256 . 119 PRO HB2 H 2.23 0.02 2 1257 . 119 PRO HB3 H 2.58 0.02 2 1258 . 119 PRO CG C 31.9 0.3 1 1259 . 119 PRO HG2 H 2.17 0.02 2 1260 . 119 PRO HD2 H 3.92 0.02 2 1261 . 119 PRO C C 177.6 0.3 1 1262 . 120 VAL N N 122.1 0.25 1 1263 . 120 VAL H H 8.92 0.02 1 1264 . 120 VAL CA C 67.4 0.3 1 1265 . 120 VAL HA H 3.61 0.02 1 1266 . 120 VAL CB C 31.6 0.3 1 1267 . 120 VAL HB H 2.16 0.02 1 1268 . 120 VAL HG1 H 1.12 0.02 2 1269 . 120 VAL HG2 H 1.03 0.02 2 1270 . 120 VAL CG1 C 22.6 0.3 1 1271 . 120 VAL CG2 C 20.9 0.3 1 1272 . 120 VAL C C 177.6 0.3 1 1273 . 121 SER N N 113.0 0.25 1 1274 . 121 SER H H 8.46 0.02 1 1275 . 121 SER CA C 61.4 0.3 1 1276 . 121 SER HA H 3.99 0.02 1 1277 . 121 SER CB C 60.7 0.3 1 1278 . 121 SER HB2 H 3.91 0.02 2 1279 . 121 SER C C 176.1 0.3 1 1280 . 122 TYR N N 124.5 0.25 1 1281 . 122 TYR H H 6.61 0.02 1 1282 . 122 TYR CA C 59.3 0.3 1 1283 . 122 TYR HA H 4.33 0.02 1 1284 . 122 TYR CB C 39.5 0.3 1 1285 . 122 TYR HB2 H 2.63 0.02 2 1286 . 122 TYR HB3 H 2.75 0.02 2 1287 . 122 TYR HD1 H 6.90 0.02 1 1288 . 122 TYR HD2 H 6.90 0.02 1 1289 . 122 TYR HE1 H 6.83 0.02 1 1290 . 122 TYR HE2 H 6.83 0.02 1 1291 . 122 TYR C C 176.2 0.3 1 1292 . 123 LEU N N 117.5 0.25 1 1293 . 123 LEU H H 7.55 0.02 1 1294 . 123 LEU CA C 57.1 0.3 1 1295 . 123 LEU HA H 3.61 0.02 1 1296 . 123 LEU CB C 41.2 0.3 1 1297 . 123 LEU HB2 H 1.85 0.02 2 1298 . 123 LEU HB3 H 1.26 0.02 2 1299 . 123 LEU CG C 26.5 0.3 1 1300 . 123 LEU HG H 1.45 0.02 1 1301 . 123 LEU HD1 H 0.69 0.02 2 1302 . 123 LEU HD2 H 0.29 0.02 2 1303 . 123 LEU CD1 C 26.5 0.3 1 1304 . 123 LEU CD2 C 21.8 0.3 1 1305 . 123 LEU C C 179.7 0.3 1 1306 . 124 ILE N N 118.6 0.25 1 1307 . 124 ILE H H 8.59 0.02 1 1308 . 124 ILE CA C 65.8 0.3 1 1309 . 124 ILE HA H 3.67 0.02 1 1310 . 124 ILE CB C 38.2 0.3 1 1311 . 124 ILE HB H 1.86 0.02 1 1312 . 124 ILE HG2 H 0.95 0.02 1 1313 . 124 ILE CG2 C 17.4 0.3 1 1314 . 124 ILE CG1 C 29.4 0.3 1 1315 . 124 ILE HG12 H 1.20 0.02 2 1316 . 124 ILE HG13 H 1.78 0.02 2 1317 . 124 ILE HD1 H 0.87 0.02 1 1318 . 124 ILE CD1 C 13.9 0.3 1 1319 . 124 ILE C C 178.8 0.3 1 1320 . 125 ARG N N 120.7 0.25 1 1321 . 125 ARG H H 7.10 0.02 1 1322 . 125 ARG CA C 59.4 0.3 1 1323 . 125 ARG HA H 4.21 0.02 1 1324 . 125 ARG CB C 29.9 0.3 1 1325 . 125 ARG HB2 H 1.99 0.02 2 1326 . 125 ARG CG C 27.8 0.3 1 1327 . 125 ARG HG2 H 1.89 0.02 2 1328 . 125 ARG HG3 H 1.66 0.02 2 1329 . 125 ARG CD C 43.4 0.3 1 1330 . 125 ARG HD2 H 3.43 0.02 2 1331 . 125 ARG HD3 H 3.37 0.02 2 1332 . 125 ARG C C 179.7 0.3 1 1333 . 126 ILE N N 122.3 0.25 1 1334 . 126 ILE H H 7.74 0.02 1 1335 . 126 ILE CA C 62.5 0.3 1 1336 . 126 ILE HA H 3.50 0.02 1 1337 . 126 ILE CB C 36.4 0.3 1 1338 . 126 ILE HB H 1.79 0.02 1 1339 . 126 ILE HG2 H 0.60 0.02 1 1340 . 126 ILE CG2 C 17.4 0.3 1 1341 . 126 ILE CG1 C 27.0 0.3 1 1342 . 126 ILE HG12 H 0.47 0.02 2 1343 . 126 ILE HG13 H 0.60 0.02 2 1344 . 126 ILE HD1 H -0.16 0.02 1 1345 . 126 ILE CD1 C 9.2 0.3 1 1346 . 126 ILE C C 178.4 0.3 1 1347 . 127 ARG N N 119.0 0.25 1 1348 . 127 ARG H H 8.88 0.02 1 1349 . 127 ARG CA C 60.5 0.3 1 1350 . 127 ARG HA H 4.01 0.02 1 1351 . 127 ARG CB C 29.8 0.3 1 1352 . 127 ARG HB2 H 2.01 0.02 2 1353 . 127 ARG CG C 28.5 0.3 1 1354 . 127 ARG HG2 H 1.75 0.02 2 1355 . 127 ARG CD C 43.6 0.3 1 1356 . 127 ARG HD2 H 3.25 0.02 2 1357 . 127 ARG C C 179.8 0.3 1 1358 . 128 ALA N N 122.6 0.25 1 1359 . 128 ALA H H 8.11 0.02 1 1360 . 128 ALA CA C 55.2 0.3 1 1361 . 128 ALA HA H 4.30 0.02 1 1362 . 128 ALA HB H 1.63 0.02 1 1363 . 128 ALA CB C 17.9 0.3 1 1364 . 128 ALA C C 180.4 0.3 1 1365 . 129 ALA N N 121.4 0.25 1 1366 . 129 ALA H H 7.65 0.02 1 1367 . 129 ALA CA C 55.1 0.3 1 1368 . 129 ALA HA H 4.38 0.02 1 1369 . 129 ALA HB H 1.86 0.02 1 1370 . 129 ALA CB C 18.1 0.3 1 1371 . 129 ALA C C 180.4 0.3 1 1372 . 130 LEU N N 118.8 0.25 1 1373 . 130 LEU H H 8.43 0.02 1 1374 . 130 LEU CA C 57.2 0.3 1 1375 . 130 LEU HA H 4.33 0.02 1 1376 . 130 LEU CB C 41.4 0.3 1 1377 . 130 LEU HB2 H 2.07 0.02 2 1378 . 130 LEU HB3 H 1.73 0.02 2 1379 . 130 LEU CG C 27.5 0.3 1 1380 . 130 LEU HG H 2.24 0.02 1 1381 . 130 LEU HD1 H 1.10 0.02 2 1382 . 130 LEU HD2 H 1.03 0.02 2 1383 . 130 LEU CD1 C 23.1 0.3 1 1384 . 130 LEU CD2 C 28.5 0.3 1 1385 . 130 LEU C C 180.0 0.3 1 1386 . 131 LYS N N 122.1 0.25 1 1387 . 131 LYS H H 8.48 0.02 1 1388 . 131 LYS CA C 59.5 0.3 1 1389 . 131 LYS HA H 4.39 0.02 1 1390 . 131 LYS CB C 32.8 0.3 1 1391 . 131 LYS HB2 H 2.12 0.02 2 1392 . 131 LYS HB3 H 2.21 0.02 2 1393 . 131 LYS CG C 25.3 0.3 1 1394 . 131 LYS HG2 H 1.70 0.02 2 1395 . 131 LYS CD C 29.4 0.3 1 1396 . 131 LYS HD2 H 1.87 0.02 2 1397 . 131 LYS CE C 41.7 0.3 1 1398 . 131 LYS HE2 H 3.13 0.02 2 1399 . 131 LYS C C 180.4 0.3 1 1400 . 132 LYS N N 118.3 0.25 1 1401 . 132 LYS H H 7.43 0.02 1 1402 . 132 LYS CA C 58.9 0.3 1 1403 . 132 LYS HA H 4.28 0.02 1 1404 . 132 LYS CB C 32.6 0.3 1 1405 . 132 LYS HB2 H 2.11 0.02 2 1406 . 132 LYS HB3 H 2.08 0.02 2 1407 . 132 LYS CG C 25.6 0.3 1 1408 . 132 LYS HG2 H 1.85 0.02 2 1409 . 132 LYS HG3 H 1.67 0.02 2 1410 . 132 LYS CD C 28.9 0.3 1 1411 . 132 LYS HD2 H 1.88 0.02 2 1412 . 132 LYS CE C 42.0 0.3 1 1413 . 132 LYS HE2 H 3.13 0.02 2 1414 . 132 LYS C C 177.5 0.3 1 1415 . 133 LYS N N 116.8 0.25 1 1416 . 133 LYS H H 7.45 0.02 1 1417 . 133 LYS CA C 55.3 0.3 1 1418 . 133 LYS HA H 4.54 0.02 1 1419 . 133 LYS CB C 33.2 0.3 1 1420 . 133 LYS HB2 H 1.84 0.02 2 1421 . 133 LYS HB3 H 2.17 0.02 2 1422 . 133 LYS CG C 25.4 0.3 1 1423 . 133 LYS HG2 H 1.59 0.02 2 1424 . 133 LYS HG3 H 1.51 0.02 2 1425 . 133 LYS CD C 29.7 0.3 1 1426 . 133 LYS HD2 H 1.81 0.02 2 1427 . 133 LYS CE C 42.0 0.3 1 1428 . 133 LYS HE2 H 3.06 0.02 2 1429 . 133 LYS C C 174.5 0.3 1 1430 . 134 ASN N N 112.3 0.25 1 1431 . 134 ASN H H 8.04 0.02 1 1432 . 134 ASN CA C 54.8 0.3 1 1433 . 134 ASN HA H 4.44 0.02 1 1434 . 134 ASN CB C 36.8 0.3 1 1435 . 134 ASN HB2 H 3.20 0.02 2 1436 . 134 ASN HB3 H 2.85 0.02 2 1437 . 134 ASN ND2 N 112.8 0.25 1 1438 . 134 ASN HD21 H 6.92 0.02 2 1439 . 134 ASN HD22 H 7.54 0.02 2 1440 . 134 ASN C C 173.9 0.3 1 1441 . 135 TYR N N 115.1 0.25 1 1442 . 135 TYR H H 7.86 0.02 1 1443 . 135 TYR CA C 56.2 0.3 1 1444 . 135 TYR HA H 5.77 0.02 1 1445 . 135 TYR CB C 42.5 0.3 1 1446 . 135 TYR HB2 H 2.98 0.02 2 1447 . 135 TYR HB3 H 2.90 0.02 2 1448 . 135 TYR HD1 H 7.11 0.02 1 1449 . 135 TYR HD2 H 7.11 0.02 1 1450 . 135 TYR HE1 H 7.03 0.02 1 1451 . 135 TYR HE2 H 7.03 0.02 1 1452 . 135 TYR C C 176.4 0.3 1 1453 . 136 LYS N N 122.3 0.25 1 1454 . 136 LYS H H 9.39 0.02 1 1455 . 136 LYS CA C 55.1 0.3 1 1456 . 136 LYS HA H 4.74 0.02 1 1457 . 136 LYS CB C 35.8 0.3 1 1458 . 136 LYS HB2 H 1.86 0.02 2 1459 . 136 LYS HB3 H 1.82 0.02 2 1460 . 136 LYS CG C 25.1 0.3 1 1461 . 136 LYS HG2 H 1.28 0.02 2 1462 . 136 LYS HG3 H 1.60 0.02 2 1463 . 136 LYS CD C 29.4 0.3 1 1464 . 136 LYS HD2 H 1.65 0.02 2 1465 . 136 LYS CE C 41.7 0.3 1 1466 . 136 LYS HE2 H 2.78 0.02 2 1467 . 136 LYS HE3 H 2.87 0.02 2 1468 . 136 LYS C C 173.5 0.3 1 1469 . 137 LEU N N 127.2 0.25 1 1470 . 137 LEU H H 8.97 0.02 1 1471 . 137 LEU CA C 53.5 0.3 1 1472 . 137 LEU HA H 5.48 0.02 1 1473 . 137 LEU CB C 46.9 0.3 1 1474 . 137 LEU HB2 H 1.83 0.02 2 1475 . 137 LEU HB3 H 1.39 0.02 2 1476 . 137 LEU CG C 27.2 0.3 1 1477 . 137 LEU HG H 0.97 0.02 1 1478 . 137 LEU HD1 H 0.95 0.02 2 1479 . 137 LEU HD2 H 1.29 0.02 2 1480 . 137 LEU CD1 C 24.5 0.3 1 1481 . 137 LEU CD2 C 24.0 0.3 1 1482 . 138 ASN N N 125.3 0.25 1 1483 . 138 ASN H H 8.94 0.02 1 1484 . 138 ASN CA C 52.7 0.3 1 1485 . 138 ASN HA H 4.87 0.02 1 1486 . 138 ASN CB C 38.4 0.3 1 1487 . 138 ASN HB2 H 3.00 0.02 2 1488 . 138 ASN ND2 N 114.7 0.25 1 1489 . 138 ASN HD21 H 7.01 0.02 2 1490 . 138 ASN HD22 H 7.82 0.02 2 1491 . 138 ASN C C 175.1 0.3 1 1492 . 139 GLN N N 116.5 0.25 1 1493 . 139 GLN H H 9.42 0.02 1 1494 . 139 GLN CA C 57.3 0.3 1 1495 . 139 GLN HA H 4.85 0.02 1 1496 . 139 GLN CB C 26.7 0.3 1 1497 . 139 GLN HB2 H 1.77 0.02 2 1498 . 139 GLN HB3 H 1.39 0.02 2 1499 . 139 GLN CG C 38.2 0.3 1 1500 . 139 GLN HG2 H 2.96 0.02 2 1501 . 139 GLN HG3 H 2.90 0.02 2 1502 . 139 GLN NE2 N 113.8 0.25 1 1503 . 139 GLN HE21 H 7.03 0.02 2 1504 . 139 GLN HE22 H 7.74 0.02 2 1505 . 139 GLN C C 174.0 0.3 1 1506 . 140 TYR N N 120.3 0.25 1 1507 . 140 TYR H H 8.69 0.02 1 1508 . 140 TYR CA C 57.1 0.3 1 1509 . 140 TYR HA H 4.60 0.02 1 1510 . 140 TYR CB C 38.1 0.3 1 1511 . 140 TYR HB2 H 3.40 0.02 2 1512 . 140 TYR HB3 H 2.98 0.02 2 1513 . 140 TYR HD1 H 7.08 0.02 1 1514 . 140 TYR HD2 H 7.08 0.02 1 1515 . 140 TYR HE1 H 6.74 0.02 1 1516 . 140 TYR HE2 H 6.74 0.02 1 1517 . 140 TYR C C 175.2 0.3 1 1518 . 141 GLY N N 106.0 0.25 1 1519 . 141 GLY H H 7.33 0.02 1 1520 . 141 GLY CA C 44.2 0.3 1 1521 . 141 GLY HA2 H 3.21 0.02 2 1522 . 141 GLY HA3 H 3.48 0.02 2 1523 . 141 GLY C C 175.4 0.3 1 1524 . 142 LEU N N 125.4 0.25 1 1525 . 142 LEU H H 8.94 0.02 1 1526 . 142 LEU HA H 5.09 0.02 1 1527 . 142 LEU C C 174.1 0.3 1 1528 . 143 PHE N N 122.7 0.25 1 1529 . 143 PHE H H 9.52 0.02 1 1530 . 143 PHE CA C 56.4 0.3 1 1531 . 143 PHE HA H 5.22 0.02 1 1532 . 143 PHE CB C 43.1 0.3 1 1533 . 143 PHE HB2 H 2.64 0.02 2 1534 . 143 PHE HB3 H 2.84 0.02 2 1535 . 143 PHE HD1 H 6.83 0.02 1 1536 . 143 PHE HD2 H 6.83 0.02 1 1537 . 143 PHE HE1 H 7.30 0.02 1 1538 . 143 PHE HE2 H 7.30 0.02 1 1539 . 143 PHE HZ H 7.08 0.02 1 1540 . 143 PHE C C 175.5 0.3 1 1541 . 144 LYS N N 123.0 0.25 1 1542 . 144 LYS H H 9.00 0.02 1 1543 . 144 LYS CA C 55.7 0.3 1 1544 . 144 LYS HA H 4.78 0.02 1 1545 . 144 LYS CB C 34.6 0.3 1 1546 . 144 LYS HB2 H 1.57 0.02 2 1547 . 144 LYS HB3 H 1.82 0.02 2 1548 . 144 LYS CG C 25.1 0.3 1 1549 . 144 LYS HG2 H 1.23 0.02 2 1550 . 144 LYS HG3 H 1.40 0.02 2 1551 . 144 LYS CD C 30.3 0.3 1 1552 . 144 LYS HD2 H 2.04 0.02 2 1553 . 144 LYS CE C 42.3 0.3 1 1554 . 144 LYS HE2 H 2.84 0.02 2 1555 . 144 LYS C C 174.0 0.3 1 1556 . 145 ASN N N 127.2 0.25 1 1557 . 145 ASN H H 9.39 0.02 1 1558 . 145 ASN CA C 55.4 0.3 1 1559 . 145 ASN HA H 4.37 0.02 1 1560 . 145 ASN CB C 37.1 0.3 1 1561 . 145 ASN HB2 H 3.14 0.02 2 1562 . 145 ASN HB3 H 3.01 0.02 2 1563 . 145 ASN ND2 N 113.5 0.25 1 1564 . 145 ASN HD21 H 7.04 0.02 2 1565 . 145 ASN HD22 H 7.78 0.02 2 1566 . 145 ASN C C 174.9 0.3 1 1567 . 146 GLN N N 112.6 0.25 1 1568 . 146 GLN H H 9.05 0.02 1 1569 . 146 GLN CA C 57.1 0.3 1 1570 . 146 GLN HA H 4.06 0.02 1 1571 . 146 GLN CB C 27.8 0.3 1 1572 . 146 GLN HB2 H 2.35 0.02 2 1573 . 146 GLN CG C 34.6 0.3 1 1574 . 146 GLN HG2 H 2.32 0.02 2 1575 . 146 GLN NE2 N 111.9 0.25 1 1576 . 146 GLN HE21 H 6.88 0.02 2 1577 . 146 GLN HE22 H 7.49 0.02 2 1578 . 146 GLN C C 175.3 0.3 1 1579 . 147 THR N N 117.2 0.25 1 1580 . 147 THR H H 8.07 0.02 1 1581 . 147 THR CA C 61.9 0.3 1 1582 . 147 THR HA H 4.68 0.02 1 1583 . 147 THR CB C 71.0 0.3 1 1584 . 147 THR HB H 4.25 0.02 1 1585 . 147 THR HG2 H 1.40 0.02 1 1586 . 147 THR CG2 C 21.5 0.3 1 1587 . 147 THR C C 173.2 0.3 1 1588 . 148 LEU N N 130.2 0.25 1 1589 . 148 LEU H H 8.80 0.02 1 1590 . 148 LEU CA C 55.7 0.3 1 1591 . 148 LEU HA H 3.75 0.02 1 1592 . 148 LEU CB C 42.8 0.3 1 1593 . 148 LEU HB2 H 1.55 0.02 2 1594 . 148 LEU HB3 H 1.41 0.02 2 1595 . 148 LEU CG C 26.7 0.3 1 1596 . 148 LEU HG H 1.16 0.02 1 1597 . 148 LEU HD1 H 0.67 0.02 2 1598 . 148 LEU HD2 H 0.47 0.02 2 1599 . 148 LEU CD1 C 25.9 0.3 1 1600 . 148 LEU CD2 C 24.0 0.3 1 1601 . 148 LEU C C 176.8 0.3 1 1602 . 149 VAL N N 130.7 0.25 1 1603 . 149 VAL H H 9.15 0.02 1 1604 . 149 VAL CA C 59.4 0.3 1 1605 . 149 VAL HA H 4.34 0.02 1 1606 . 149 VAL CB C 32.7 0.3 1 1607 . 149 VAL HB H 1.91 0.02 1 1608 . 149 VAL HG1 H 0.93 0.02 2 1609 . 149 VAL HG2 H 1.03 0.02 2 1610 . 149 VAL CG1 C 21.0 0.3 1 1611 . 149 VAL CG2 C 22.1 0.3 1 1612 . 150 PRO CD C 50.7 0.3 1 1613 . 150 PRO CA C 62.5 0.3 1 1614 . 150 PRO HA H 4.64 0.02 1 1615 . 150 PRO CB C 30.0 0.3 1 1616 . 150 PRO HB2 H 2.05 0.02 2 1617 . 150 PRO HB3 H 2.15 0.02 2 1618 . 150 PRO CG C 27.2 0.3 1 1619 . 150 PRO HG2 H 2.10 0.02 2 1620 . 150 PRO HD2 H 3.78 0.02 2 1621 . 150 PRO HD3 H 3.98 0.02 2 1622 . 150 PRO C C 176.1 0.3 1 1623 . 151 LEU N N 123.7 0.25 1 1624 . 151 LEU H H 8.05 0.02 1 1625 . 151 LEU CA C 54.3 0.3 1 1626 . 151 LEU HA H 4.50 0.02 1 1627 . 151 LEU CB C 45.3 0.3 1 1628 . 151 LEU HB2 H 1.82 0.02 2 1629 . 151 LEU HB3 H 1.29 0.02 2 1630 . 151 LEU CG C 26.7 0.3 1 1631 . 151 LEU HG H 1.69 0.02 1 1632 . 151 LEU HD1 H 0.84 0.02 2 1633 . 151 LEU HD2 H 0.93 0.02 2 1634 . 151 LEU CD1 C 23.1 0.3 1 1635 . 151 LEU CD2 C 25.9 0.3 1 1636 . 151 LEU C C 177.7 0.3 1 1637 . 152 LYS N N 126.5 0.25 1 1638 . 152 LYS H H 9.09 0.02 1 1639 . 152 LYS CA C 55.1 0.3 1 1640 . 152 LYS HA H 4.55 0.02 1 1641 . 152 LYS CB C 33.3 0.3 1 1642 . 152 LYS HB2 H 1.85 0.02 2 1643 . 152 LYS CG C 24.8 0.3 1 1644 . 152 LYS HG2 H 1.38 0.02 2 1645 . 152 LYS CD C 29.4 0.3 1 1646 . 152 LYS HD2 H 1.81 0.02 2 1647 . 152 LYS CE C 42.3 0.3 1 1648 . 152 LYS HE2 H 3.07 0.02 2 1649 . 152 LYS C C 175.4 0.3 1 1650 . 153 ILE N N 114.2 0.25 1 1651 . 153 ILE H H 7.28 0.02 1 1652 . 153 ILE CA C 58.9 0.3 1 1653 . 153 ILE HA H 4.69 0.02 1 1654 . 153 ILE CB C 42.8 0.3 1 1655 . 153 ILE HB H 1.93 0.02 1 1656 . 153 ILE HG2 H 0.81 0.02 1 1657 . 153 ILE CG2 C 20.7 0.3 1 1658 . 153 ILE CG1 C 25.9 0.3 1 1659 . 153 ILE HG12 H 1.29 0.02 2 1660 . 153 ILE HG13 H 0.93 0.02 2 1661 . 153 ILE HD1 H 0.56 0.02 1 1662 . 153 ILE CD1 C 15.5 0.3 1 1663 . 153 ILE C C 176.0 0.3 1 1664 . 154 THR N N 111.5 0.25 1 1665 . 154 THR H H 9.41 0.02 1 1666 . 154 THR CA C 62.3 0.3 1 1667 . 154 THR HA H 4.65 0.02 1 1668 . 154 THR CB C 71.0 0.3 1 1669 . 154 THR HB H 4.38 0.02 1 1670 . 154 THR HG2 H 1.25 0.02 1 1671 . 154 THR CG2 C 21.7 0.3 1 1672 . 154 THR C C 174.9 0.3 1 1673 . 155 THR N N 111.4 0.25 1 1674 . 155 THR H H 7.73 0.02 1 1675 . 155 THR CA C 59.0 0.3 1 1676 . 155 THR HA H 5.02 0.02 1 1677 . 155 THR CB C 73.2 0.3 1 1678 . 155 THR HB H 4.79 0.02 1 1679 . 155 THR HG2 H 1.25 0.02 1 1680 . 155 THR CG2 C 21.5 0.3 1 1681 . 155 THR C C 174.8 0.3 1 1682 . 156 GLU N N 124.3 0.25 1 1683 . 156 GLU H H 9.49 0.02 1 1684 . 156 GLU CA C 59.5 0.3 1 1685 . 156 GLU HA H 3.76 0.02 1 1686 . 156 GLU CB C 30.0 0.3 1 1687 . 156 GLU HB2 H 2.21 0.02 2 1688 . 156 GLU CG C 36.8 0.3 1 1689 . 156 GLU HG2 H 2.54 0.02 2 1690 . 156 GLU C C 177.7 0.3 1 1691 . 157 LYS N N 119.1 0.25 1 1692 . 157 LYS H H 8.36 0.02 1 1693 . 157 LYS CA C 60.3 0.3 1 1694 . 157 LYS HA H 3.87 0.02 1 1695 . 157 LYS CB C 32.4 0.3 1 1696 . 157 LYS HB2 H 1.62 0.02 2 1697 . 157 LYS HB3 H 1.51 0.02 2 1698 . 157 LYS CG C 25.0 0.3 1 1699 . 157 LYS HG2 H 0.77 0.02 2 1700 . 157 LYS HG3 H 0.93 0.02 2 1701 . 157 LYS CD C 29.4 0.3 1 1702 . 157 LYS HD2 H 1.31 0.02 2 1703 . 157 LYS HD3 H 1.18 0.02 2 1704 . 157 LYS CE C 42.0 0.3 1 1705 . 157 LYS HE2 H 2.99 0.02 2 1706 . 157 LYS C C 178.6 0.3 1 1707 . 158 GLU N N 117.7 0.25 1 1708 . 158 GLU H H 7.67 0.02 1 1709 . 158 GLU CA C 59.2 0.3 1 1710 . 158 GLU HA H 3.92 0.02 1 1711 . 158 GLU CB C 30.4 0.3 1 1712 . 158 GLU HB2 H 2.09 0.02 2 1713 . 158 GLU HB3 H 2.12 0.02 2 1714 . 158 GLU CG C 36.8 0.3 1 1715 . 158 GLU HG2 H 2.32 0.02 2 1716 . 158 GLU C C 179.1 0.3 1 1717 . 159 LEU N N 120.3 0.25 1 1718 . 159 LEU H H 7.71 0.02 1 1719 . 159 LEU CA C 58.5 0.3 1 1720 . 159 LEU HA H 3.74 0.02 1 1721 . 159 LEU CB C 40.8 0.3 1 1722 . 159 LEU HB2 H 0.99 0.02 2 1723 . 159 LEU HB3 H 2.13 0.02 2 1724 . 159 LEU CG C 27.2 0.3 1 1725 . 159 LEU HG H 1.01 0.02 1 1726 . 159 LEU HD1 H 0.37 0.02 2 1727 . 159 LEU HD2 H 0.67 0.02 2 1728 . 159 LEU CD1 C 26.1 0.3 1 1729 . 159 LEU CD2 C 23.4 0.3 1 1730 . 159 LEU C C 176.4 0.3 1 1731 . 160 ILE N N 118.0 0.25 1 1732 . 160 ILE H H 7.89 0.02 1 1733 . 160 ILE CA C 65.8 0.3 1 1734 . 160 ILE HA H 3.24 0.02 1 1735 . 160 ILE CB C 38.7 0.3 1 1736 . 160 ILE HB H 1.90 0.02 1 1737 . 160 ILE HG2 H 0.98 0.02 1 1738 . 160 ILE CG2 C 18.0 0.3 1 1739 . 160 ILE CG1 C 30.5 0.3 1 1740 . 160 ILE HG12 H 1.51 0.02 2 1741 . 160 ILE HG13 H 0.80 0.02 2 1742 . 160 ILE HD1 H 1.04 0.02 1 1743 . 160 ILE CD1 C 14.4 0.3 1 1744 . 160 ILE C C 177.3 0.3 1 1745 . 161 LYS N N 117.5 0.25 1 1746 . 161 LYS H H 7.57 0.02 1 1747 . 161 LYS CA C 59.3 0.3 1 1748 . 161 LYS HA H 4.31 0.02 1 1749 . 161 LYS CB C 32.2 0.3 1 1750 . 161 LYS HB2 H 1.96 0.02 2 1751 . 161 LYS CG C 24.8 0.3 1 1752 . 161 LYS HG2 H 1.49 0.02 2 1753 . 161 LYS HG3 H 1.62 0.02 2 1754 . 161 LYS CD C 29.2 0.3 1 1755 . 161 LYS HD2 H 1.74 0.02 2 1756 . 161 LYS CE C 41.5 0.3 1 1757 . 161 LYS HE2 H 3.01 0.02 2 1758 . 161 LYS C C 180.9 0.3 1 1759 . 162 GLU N N 121.9 0.25 1 1760 . 162 GLU H H 8.38 0.02 1 1761 . 162 GLU CA C 58.4 0.3 1 1762 . 162 GLU HA H 4.06 0.02 1 1763 . 162 GLU CB C 29.0 0.3 1 1764 . 162 GLU HB2 H 2.04 0.02 2 1765 . 162 GLU HB3 H 2.12 0.02 2 1766 . 162 GLU CG C 35.4 0.3 1 1767 . 162 GLU HG2 H 2.13 0.02 2 1768 . 162 GLU HG3 H 2.39 0.02 2 1769 . 162 GLU C C 178.8 0.3 1 1770 . 163 LEU N N 116.3 0.25 1 1771 . 163 LEU H H 7.91 0.02 1 1772 . 163 LEU CA C 55.4 0.3 1 1773 . 163 LEU HA H 4.06 0.02 1 1774 . 163 LEU CB C 42.4 0.3 1 1775 . 163 LEU HB2 H 1.58 0.02 2 1776 . 163 LEU CG C 25.9 0.3 1 1777 . 163 LEU HG H 2.04 0.02 1 1778 . 163 LEU HD1 H 0.80 0.02 2 1779 . 163 LEU HD2 H 0.72 0.02 2 1780 . 163 LEU CD1 C 22.9 0.3 1 1781 . 163 LEU C C 176.8 0.3 1 1782 . 164 GLY N N 104.3 0.25 1 1783 . 164 GLY H H 7.69 0.02 1 1784 . 164 GLY CA C 45.0 0.3 1 1785 . 164 GLY HA2 H 3.95 0.02 2 1786 . 164 GLY HA3 H 3.67 0.02 2 1787 . 164 GLY C C 174.5 0.3 1 1788 . 165 PHE N N 118.6 0.25 1 1789 . 165 PHE H H 7.34 0.02 1 1790 . 165 PHE CA C 56.1 0.3 1 1791 . 165 PHE HA H 4.94 0.02 1 1792 . 165 PHE CB C 41.2 0.3 1 1793 . 165 PHE HB2 H 3.49 0.02 2 1794 . 165 PHE HB3 H 2.70 0.02 2 1795 . 165 PHE HD1 H 7.24 0.02 1 1796 . 165 PHE HD2 H 7.24 0.02 1 1797 . 165 PHE HE1 H 7.23 0.02 1 1798 . 165 PHE HE2 H 7.23 0.02 1 1799 . 165 PHE C C 174.8 0.3 1 1800 . 166 THR N N 117.5 0.25 1 1801 . 166 THR H H 8.66 0.02 1 1802 . 166 THR CA C 62.6 0.3 1 1803 . 166 THR HA H 4.23 0.02 1 1804 . 166 THR CB C 69.6 0.3 1 1805 . 166 THR HB H 4.10 0.02 1 1806 . 166 THR HG2 H 1.31 0.02 1 1807 . 166 THR CG2 C 21.8 0.3 1 1808 . 166 THR C C 174.3 0.3 1 1809 . 167 TYR N N 128.6 0.25 1 1810 . 167 TYR H H 9.08 0.02 1 1811 . 167 TYR CA C 60.8 0.3 1 1812 . 167 TYR HA H 4.13 0.02 1 1813 . 167 TYR CB C 38.2 0.3 1 1814 . 167 TYR HB2 H 3.13 0.02 2 1815 . 167 TYR HB3 H 2.88 0.02 2 1816 . 167 TYR HD1 H 7.06 0.02 1 1817 . 167 TYR HD2 H 7.06 0.02 1 1818 . 167 TYR HE1 H 6.71 0.02 1 1819 . 167 TYR HE2 H 6.71 0.02 1 1820 . 167 TYR C C 174.1 0.3 1 1821 . 168 ARG N N 127.2 0.25 1 1822 . 168 ARG H H 7.29 0.02 1 1823 . 168 ARG CA C 52.7 0.3 1 1824 . 168 ARG HA H 4.64 0.02 1 1825 . 168 ARG CB C 33.0 0.3 1 1826 . 168 ARG HB2 H 1.39 0.02 2 1827 . 168 ARG HB3 H 1.17 0.02 2 1828 . 168 ARG CG C 27.0 0.3 1 1829 . 168 ARG HG2 H 1.58 0.02 2 1830 . 168 ARG CD C 43.6 0.3 1 1831 . 168 ARG HD2 H 3.24 0.02 2 1832 . 168 ARG HD3 H 3.03 0.02 2 1833 . 168 ARG C C 175.9 0.3 1 1834 . 169 ILE N N 121.2 0.25 1 1835 . 169 ILE H H 8.49 0.02 1 1836 . 169 ILE CA C 60.9 0.3 1 1837 . 169 ILE HA H 4.23 0.02 1 1838 . 169 ILE CB C 36.0 0.3 1 1839 . 169 ILE HB H 2.27 0.02 1 1840 . 169 ILE HG2 H 1.28 0.02 1 1841 . 169 ILE CG2 C 17.9 0.3 1 1842 . 169 ILE CG1 C 25.3 0.3 1 1843 . 169 ILE HG12 H 1.44 0.02 2 1844 . 169 ILE HD1 H 1.00 0.02 1 1845 . 169 ILE CD1 C 14.4 0.3 1 1846 . 170 PRO HA H 3.93 0.02 1 1847 . 170 PRO HB2 H 2.08 0.02 2 1848 . 170 PRO C C 177.4 0.3 1 1849 . 171 LYS N N 113.3 0.25 1 1850 . 171 LYS H H 8.41 0.02 1 1851 . 171 LYS CA C 58.1 0.3 1 1852 . 171 LYS HA H 4.32 0.02 1 1853 . 171 LYS CB C 33.2 0.3 1 1854 . 171 LYS HB2 H 1.90 0.02 2 1855 . 171 LYS CG C 24.2 0.3 1 1856 . 171 LYS HG2 H 1.46 0.02 2 1857 . 171 LYS CD C 29.8 0.3 1 1858 . 171 LYS HD2 H 1.42 0.02 2 1859 . 171 LYS CE C 41.5 0.3 1 1860 . 171 LYS HE2 H 3.02 0.02 2 1861 . 171 LYS C C 176.4 0.3 1 1862 . 172 LYS N N 117.1 0.25 1 1863 . 172 LYS H H 7.88 0.02 1 1864 . 172 LYS CA C 54.8 0.3 1 1865 . 172 LYS HA H 4.41 0.02 1 1866 . 172 LYS CB C 32.7 0.3 1 1867 . 172 LYS HB2 H 1.59 0.02 2 1868 . 172 LYS CG C 25.6 0.3 1 1869 . 172 LYS HG2 H 1.42 0.02 2 1870 . 172 LYS HG3 H 1.23 0.02 2 1871 . 172 LYS CD C 28.3 0.3 1 1872 . 172 LYS HD2 H 1.76 0.02 2 1873 . 172 LYS CE C 41.7 0.3 1 1874 . 172 LYS HE2 H 2.99 0.02 2 1875 . 172 LYS C C 175.7 0.3 1 1876 . 173 ARG N N 121.4 0.25 1 1877 . 173 ARG H H 6.96 0.02 1 1878 . 173 ARG CA C 57.5 0.3 1 1879 . 173 ARG HA H 3.52 0.02 1 1880 . 173 ARG CB C 28.1 0.3 1 1881 . 173 ARG HB2 H 1.38 0.02 2 1882 . 173 ARG C C 173.0 0.3 1 1883 . 174 LEU N N 128.6 0.25 1 1884 . 174 LEU H H 7.40 0.02 1 1885 . 174 LEU CA C 57.0 0.3 1 1886 . 174 LEU HA H 4.12 0.02 1 1887 . 174 LEU CB C 45.3 0.3 1 1888 . 174 LEU HB2 H 1.52 0.02 2 1889 . 174 LEU HB3 H 1.65 0.02 2 1890 . 174 LEU CG C 27.2 0.3 1 1891 . 174 LEU HG H 1.51 0.02 1 1892 . 174 LEU HD1 H 0.91 0.02 2 1893 . 174 LEU HD2 H 0.90 0.02 2 1894 . 174 LEU CD1 C 25.0 0.3 1 stop_ save_