data_5842 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side chain 1H, 13C, and 15N chemical shift assignments for Haemophilus influenza protein IR24 ; _BMRB_accession_number 5842 _BMRB_flat_file_name bmr5842.str _Entry_type new _Submission_date 2003-06-24 _Accession_date 2003-06-25 _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 Ramelot Theresa A. . 2 Kennedy Michael A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 583 "13C chemical shifts" 448 "15N chemical shifts" 116 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-07-13 update BMRB 'added time domain data' 2005-05-03 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution NMR structure of the iron-sulfur cluster assembly protein U (IscU) with zinc bound at the active site ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15522305 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ramelot T. A. . 2 Cort J. R. . 3 Goldsmith-Fischman S. . . 4 Kornhaber G. J. . 5 Xiao R. . . 6 Shastry R. . . 7 Acton T. B. . 8 Honig B. . . 9 Montelione G. T. . 10 Kennedy M. A. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 344 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 567 _Page_last 583 _Year 2004 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_ref_1 _Saveframe_category citation _Citation_full ; 1: Schwieters CD, Kuszewski JJ, Tjandra N, Marius Clore G. J Magn Reson. 2003 Jan;160(1):65-73. ; _Citation_title . _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 12565051 _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_IR24 _Saveframe_category molecular_system _Mol_system_name IR24 _Abbreviation_common IR24 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label IR24 $IR24 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function ; MAY BE INVOLVED IN THE FORMATION OR REPAIR OF [FE-S] CLUSTERS PRESENT IN IRON-SULFUR PROTEINS (POTENTIAL). ; stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_IR24 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common IR24 _Abbreviation_common IR24 _Molecular_mass 14500 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 134 _Mol_residue_sequence ; MAYSEKVIDHYENPRNVGSL DKKDSNVGTGMVGAPACGDV MQLQIKVDDNGIIEDAKFKT YGCGSAIASSSLITEWVKGK SLEEAGAIKNSQIAEELELP PVKVHCSILAEDAIKAAIAD YKAKQGLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 TYR 4 SER 5 GLU 6 LYS 7 VAL 8 ILE 9 ASP 10 HIS 11 TYR 12 GLU 13 ASN 14 PRO 15 ARG 16 ASN 17 VAL 18 GLY 19 SER 20 LEU 21 ASP 22 LYS 23 LYS 24 ASP 25 SER 26 ASN 27 VAL 28 GLY 29 THR 30 GLY 31 MET 32 VAL 33 GLY 34 ALA 35 PRO 36 ALA 37 CYS 38 GLY 39 ASP 40 VAL 41 MET 42 GLN 43 LEU 44 GLN 45 ILE 46 LYS 47 VAL 48 ASP 49 ASP 50 ASN 51 GLY 52 ILE 53 ILE 54 GLU 55 ASP 56 ALA 57 LYS 58 PHE 59 LYS 60 THR 61 TYR 62 GLY 63 CYS 64 GLY 65 SER 66 ALA 67 ILE 68 ALA 69 SER 70 SER 71 SER 72 LEU 73 ILE 74 THR 75 GLU 76 TRP 77 VAL 78 LYS 79 GLY 80 LYS 81 SER 82 LEU 83 GLU 84 GLU 85 ALA 86 GLY 87 ALA 88 ILE 89 LYS 90 ASN 91 SER 92 GLN 93 ILE 94 ALA 95 GLU 96 GLU 97 LEU 98 GLU 99 LEU 100 PRO 101 PRO 102 VAL 103 LYS 104 VAL 105 HIS 106 CYS 107 SER 108 ILE 109 LEU 110 ALA 111 GLU 112 ASP 113 ALA 114 ILE 115 LYS 116 ALA 117 ALA 118 ILE 119 ALA 120 ASP 121 TYR 122 LYS 123 ALA 124 LYS 125 GLN 126 GLY 127 LEU 128 GLU 129 HIS 130 HIS 131 HIS 132 HIS 133 HIS 134 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1Q48 "Solution Nmr Structure Of The Haemophilus Influenzae Iron-sulfur Cluster Assembly Protein U (iscu) With Zinc Bound At The Activ" 100.00 134 100.00 100.00 1.10e-91 PDB 1R9P "Solution Nmr Structure Of The Haemophilus Influenzae Iron-sulfur Cluster Assembly Protein U (iscu) With Zinc Bound At The Activ" 100.00 134 100.00 100.00 1.10e-91 EMBL CBW28676 "scaffold protein [Haemophilus influenzae 10810]" 94.03 126 100.00 100.00 7.37e-85 EMBL CBY80560 "NifU-like protein [Haemophilus influenzae F3031]" 94.03 126 100.00 100.00 7.37e-85 EMBL CBY86563 "NifU-like protein [Haemophilus influenzae F3047]" 94.03 127 100.00 100.00 7.13e-85 GB AAC22034 "iscU protein (iscU) [Haemophilus influenzae Rd KW20]" 94.03 126 100.00 100.00 7.37e-85 GB AAX87432 "NifU-like protein [Haemophilus influenzae 86-028NP]" 94.03 126 100.00 100.00 7.37e-85 GB ABQ97710 "NifU-like protein [Haemophilus influenzae PittEE]" 94.03 126 100.00 100.00 7.37e-85 GB ABQ99885 "hypothetical protein CGSHiGG_04695 [Haemophilus influenzae PittGG]" 94.03 126 100.00 100.00 7.37e-85 GB ADO80188 "Fe-S scaffold protein IscU [Haemophilus influenzae R2866]" 94.03 138 100.00 100.00 3.58e-85 PIR C64064 "iron-sulfur cofactor synthesis protein nifU homolog HI0377 [similarity] - Haemophilus influenzae (strain Rd KW20)" 94.03 151 100.00 100.00 5.49e-85 REF NP_438538 "scaffold protein [Haemophilus influenzae Rd KW20]" 94.03 138 100.00 100.00 3.58e-85 REF WP_005649165 "NifU-like protein [Haemophilus influenzae]" 71.64 96 100.00 100.00 1.49e-60 REF WP_005654861 "MULTISPECIES: FeS cluster assembly scaffold IscU [Haemophilus]" 94.03 126 100.00 100.00 7.37e-85 REF WP_005666597 "FeS cluster assembly scaffold IscU [Haemophilus influenzae]" 94.03 126 99.21 99.21 1.89e-83 REF WP_005691745 "FeS cluster assembly scaffold IscU [Haemophilus influenzae]" 94.03 138 100.00 100.00 3.58e-85 SP Q57074 "RecName: Full=Iron-sulfur cluster assembly scaffold protein IscU; AltName: Full=Sulfur acceptor protein IscU [Haemophilus influ" 94.03 126 100.00 100.00 7.37e-85 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Plasmid _Gene_mnemonic $IR24 'haemophilus influenza' 727 Eubacteria . Haemophilus influenza pET15b NIFU_HAEIN 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 $IR24 'recombinant technology' . . . . . 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 $IR24 1 mM '[U-15N; U-13C]' MES 20 mM . NaCl 100 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $IR24 1 mM [U-15N] MES 20 mM . NaCl 100 mM . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $IR24 1 mM '[U-5% 13C; U-100% 15N]' MES 20 mM . NaCl 100 mM . stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name Felix _Version 98 loop_ _Task 'processing data' stop_ _Details MSI save_ save_XPLOR_NIH _Saveframe_category software _Name 'XPLOR NIH' _Version 2.0.4 loop_ _Task 'structure calculations' stop_ _Details . _Citation_label $ref_1 save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer INOVA _Model Varian _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer INOVA _Model Varian _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer INOVA _Model Varian _Field_strength 750 _Details . save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer INOVA _Model Varian _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_1H-13C_HSQC_(aliph)_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC (aliph)' _Sample_label . save_ save_15N-edited_NOESY-HQSC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited NOESY-HQSC' _Sample_label . save_ save_HCC-TOCSY-NNH_4 _Saveframe_category NMR_applied_experiment _Experiment_name HCC-TOCSY-NNH _Sample_label . save_ save_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_13C-edited-NOESY-HSQC_(aliph)_6 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited-NOESY-HSQC (aliph)' _Sample_label . save_ save_CBCACOCAHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACOCAHA _Sample_label . save_ save_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_9 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCACB_11 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_CC-TOCSY-NNH_13 _Saveframe_category NMR_applied_experiment _Experiment_name CC-TOCSY-NNH _Sample_label . save_ save_HNHA_14 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_4D_CC-NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '4D CC-NOESY' _Sample_label . save_ save_1H-13C_HSQC_(arom)_16 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC (arom)' _Sample_label . save_ save_13C-edited-NOESY-HSQC_(arom)_17 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited-NOESY-HSQC (arom)' _Sample_label . save_ save_1H-13C_HSQC_(alpha)_18 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC (alpha)' _Sample_label . save_ save_NMR_spectrometer_expt_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC (aliph)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_3 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited NOESY-HQSC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_4 _Saveframe_category NMR_applied_experiment _Experiment_name HCC-TOCSY-NNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_6 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited-NOESY-HSQC (aliph)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACOCAHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_9 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_10 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_11 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_12 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_13 _Saveframe_category NMR_applied_experiment _Experiment_name CC-TOCSY-NNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_14 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_15 _Saveframe_category NMR_applied_experiment _Experiment_name '4D CC-NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_16 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC (arom)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_17 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited-NOESY-HSQC (arom)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_18 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC (alpha)' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 n/a temperature 293 1 K 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_shift_set _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name IR24 _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 . 16 ASN C C 173.9 0.2 1 2 . 16 ASN CA C 54.5 0.2 1 3 . 16 ASN CB C 36.7 0.2 1 4 . 17 VAL H H 7.75 0.02 1 5 . 17 VAL HA H 3.46 0.02 1 6 . 17 VAL HB H 1.72 0.02 1 7 . 17 VAL HG1 H 0.53 0.02 2 8 . 17 VAL HG2 H 0.66 0.02 2 9 . 17 VAL C C 178.1 0.2 1 10 . 17 VAL CA C 62.4 0.2 1 11 . 17 VAL CB C 31.4 0.2 1 12 . 17 VAL CG1 C 22.5 0.2 2 13 . 17 VAL CG2 C 21.0 0.2 2 14 . 17 VAL N N 118.6 0.2 1 15 . 18 GLY H H 8.70 0.02 1 16 . 18 GLY HA2 H 3.71 0.02 2 17 . 18 GLY HA3 H 4.33 0.02 2 18 . 18 GLY C C 170.2 0.2 1 19 . 18 GLY CA C 45.3 0.2 1 20 . 18 GLY N N 116.3 0.2 1 21 . 19 SER H H 8.21 0.02 1 22 . 19 SER HA H 4.60 0.02 1 23 . 19 SER HB2 H 3.68 0.02 1 24 . 19 SER HB3 H 3.68 0.02 1 25 . 19 SER C C 174.6 0.2 1 26 . 19 SER CA C 57.2 0.2 1 27 . 19 SER CB C 65.9 0.2 1 28 . 19 SER N N 112.0 0.2 1 29 . 20 LEU H H 8.77 0.02 1 30 . 20 LEU HA H 4.50 0.02 1 31 . 20 LEU HB2 H 1.02 0.02 2 32 . 20 LEU HB3 H 1.41 0.02 2 33 . 20 LEU HG H 1.10 0.02 1 34 . 20 LEU HD1 H 0.52 0.02 2 35 . 20 LEU HD2 H 0.76 0.02 2 36 . 20 LEU C C 176.2 0.2 1 37 . 20 LEU CA C 52.5 0.2 1 38 . 20 LEU CB C 44.7 0.2 1 39 . 20 LEU CG C 27.0 0.2 1 40 . 20 LEU CD1 C 26.1 0.2 2 41 . 20 LEU CD2 C 23.1 0.2 2 42 . 20 LEU N N 122.2 0.2 1 43 . 21 ASP H H 8.66 0.02 1 44 . 21 ASP HA H 4.38 0.02 1 45 . 21 ASP HB2 H 2.54 0.02 2 46 . 21 ASP HB3 H 2.93 0.02 2 47 . 21 ASP C C 176.7 0.2 1 48 . 21 ASP CA C 54.5 0.2 1 49 . 21 ASP CB C 41.1 0.2 1 50 . 21 ASP N N 121.3 0.2 1 51 . 22 LYS H H 8.31 0.02 1 52 . 22 LYS HA H 3.67 0.02 1 53 . 22 LYS HB2 H 1.83 0.02 1 54 . 22 LYS HB3 H 1.83 0.02 1 55 . 22 LYS HG2 H 1.37 0.02 2 56 . 22 LYS HG3 H 1.48 0.02 2 57 . 22 LYS HD2 H 1.74 0.02 1 58 . 22 LYS HD3 H 1.74 0.02 1 59 . 22 LYS HE2 H 3.00 0.02 1 60 . 22 LYS HE3 H 3.00 0.02 1 61 . 22 LYS C C 177.5 0.2 1 62 . 22 LYS CA C 58.8 0.2 1 63 . 22 LYS CB C 32.5 0.2 1 64 . 22 LYS CG C 26.1 0.2 1 65 . 22 LYS CD C 29.7 0.2 1 66 . 22 LYS CE C 41.6 0.2 1 67 . 22 LYS N N 125.0 0.2 1 68 . 23 LYS H H 8.43 0.02 1 69 . 23 LYS HA H 4.08 0.02 1 70 . 23 LYS HB2 H 1.84 0.02 1 71 . 23 LYS HB3 H 1.84 0.02 1 72 . 23 LYS HG2 H 1.41 0.02 1 73 . 23 LYS HG3 H 1.41 0.02 1 74 . 23 LYS HD2 H 1.67 0.02 1 75 . 23 LYS HD3 H 1.67 0.02 1 76 . 23 LYS HE2 H 2.99 0.02 1 77 . 23 LYS HE3 H 2.99 0.02 1 78 . 23 LYS C C 177.2 0.2 1 79 . 23 LYS CA C 56.9 0.2 1 80 . 23 LYS CB C 31.5 0.2 1 81 . 23 LYS CG C 24.9 0.2 1 82 . 23 LYS CD C 28.7 0.2 1 83 . 23 LYS CE C 41.1 0.2 1 84 . 23 LYS N N 117.0 0.2 1 85 . 24 ASP H H 7.40 0.02 1 86 . 24 ASP HA H 4.51 0.02 1 87 . 24 ASP HB2 H 2.59 0.02 2 88 . 24 ASP HB3 H 3.05 0.02 2 89 . 24 ASP C C 178.3 0.2 1 90 . 24 ASP CA C 54.3 0.2 1 91 . 24 ASP CB C 41.8 0.2 1 92 . 24 ASP N N 121.8 0.2 1 93 . 25 SER H H 8.93 0.02 1 94 . 25 SER HA H 4.18 0.02 1 95 . 25 SER HB2 H 3.88 0.02 1 96 . 25 SER HB3 H 3.88 0.02 1 97 . 25 SER C C 172.9 0.2 1 98 . 25 SER CA C 61.2 0.2 1 99 . 25 SER CB C 63.1 0.2 1 100 . 25 SER N N 124.0 0.2 1 101 . 26 ASN H H 8.77 0.02 1 102 . 26 ASN HA H 5.06 0.02 1 103 . 26 ASN HB2 H 3.00 0.02 2 104 . 26 ASN HB3 H 3.47 0.02 2 105 . 26 ASN HD21 H 7.96 0.02 2 106 . 26 ASN HD22 H 7.01 0.02 2 107 . 26 ASN C C 173.3 0.2 1 108 . 26 ASN CA C 53.0 0.2 1 109 . 26 ASN CB C 38.5 0.2 1 110 . 26 ASN N N 115.8 0.2 1 111 . 26 ASN ND2 N 115.9 0.2 1 112 . 27 VAL H H 7.48 0.02 1 113 . 27 VAL HA H 5.43 0.02 1 114 . 27 VAL HB H 2.07 0.02 1 115 . 27 VAL HG1 H 0.63 0.02 1 116 . 27 VAL HG2 H 0.92 0.02 1 117 . 27 VAL C C 176.7 0.2 1 118 . 27 VAL CA C 59.9 0.2 1 119 . 27 VAL CB C 34.6 0.2 1 120 . 27 VAL CG1 C 21.1 0.2 1 121 . 27 VAL CG2 C 23.0 0.2 1 122 . 27 VAL N N 119.8 0.2 1 123 . 28 GLY H H 8.91 0.02 1 124 . 28 GLY HA2 H 3.78 0.02 2 125 . 28 GLY HA3 H 5.12 0.02 2 126 . 28 GLY C C 172.9 0.2 1 127 . 28 GLY CA C 44.0 0.2 1 128 . 28 GLY N N 112.7 0.2 1 129 . 29 THR H H 10.55 0.02 1 130 . 29 THR HA H 5.00 0.02 1 131 . 29 THR HB H 3.95 0.02 1 132 . 29 THR HG1 H 6.23 0.02 1 133 . 29 THR HG2 H 1.04 0.02 1 134 . 29 THR C C 173.1 0.2 1 135 . 29 THR CA C 62.0 0.2 1 136 . 29 THR CB C 70.1 0.2 1 137 . 29 THR CG2 C 21.7 0.2 1 138 . 29 THR N N 122.7 0.2 1 139 . 30 GLY H H 9.74 0.02 1 140 . 30 GLY HA2 H 3.59 0.02 2 141 . 30 GLY HA3 H 4.51 0.02 2 142 . 30 GLY C C 170.9 0.2 1 143 . 30 GLY CA C 44.4 0.2 1 144 . 30 GLY N N 114.9 0.2 1 145 . 31 MET H H 8.66 0.02 1 146 . 31 MET HA H 5.60 0.02 1 147 . 31 MET HB2 H 1.83 0.02 2 148 . 31 MET HB3 H 2.07 0.02 2 149 . 31 MET HG2 H 2.33 0.02 1 150 . 31 MET HG3 H 2.33 0.02 1 151 . 31 MET HE H 2.03 0.02 1 152 . 31 MET C C 174.8 0.2 1 153 . 31 MET CA C 54.9 0.2 1 154 . 31 MET CB C 34.8 0.2 1 155 . 31 MET CG C 32.2 0.2 1 156 . 31 MET CE C 17.3 0.2 1 157 . 31 MET N N 125.5 0.2 1 158 . 32 VAL H H 8.91 0.02 1 159 . 32 VAL HA H 4.75 0.02 1 160 . 32 VAL HB H 2.30 0.02 1 161 . 32 VAL HG1 H 0.83 0.02 1 162 . 32 VAL HG2 H 0.88 0.02 1 163 . 32 VAL C C 174.0 0.2 1 164 . 32 VAL CA C 59.4 0.2 1 165 . 32 VAL CB C 36.4 0.2 1 166 . 32 VAL CG1 C 22.5 0.2 1 167 . 32 VAL CG2 C 20.0 0.2 1 168 . 32 VAL N N 119.7 0.2 1 169 . 33 GLY H H 8.47 0.02 1 170 . 33 GLY HA2 H 3.78 0.02 2 171 . 33 GLY HA3 H 4.92 0.02 2 172 . 33 GLY C C 172.4 0.2 1 173 . 33 GLY CA C 44.9 0.2 1 174 . 33 GLY N N 107.5 0.2 1 175 . 34 ALA H H 8.22 0.02 1 176 . 34 ALA HA H 5.19 0.02 1 177 . 34 ALA HB H 1.53 0.02 1 178 . 34 ALA CA C 48.7 0.2 1 179 . 34 ALA CB C 19.9 0.2 1 180 . 34 ALA N N 121.2 0.2 1 181 . 35 PRO HA H 4.28 0.02 1 182 . 35 PRO HB2 H 1.93 0.02 2 183 . 35 PRO HB3 H 2.28 0.02 2 184 . 35 PRO HG2 H 1.89 0.02 2 185 . 35 PRO HG3 H 2.01 0.02 2 186 . 35 PRO HD2 H 3.57 0.02 2 187 . 35 PRO HD3 H 3.90 0.02 2 188 . 35 PRO C C 177.4 0.2 1 189 . 35 PRO CA C 64.8 0.2 1 190 . 35 PRO CB C 32.0 0.2 1 191 . 35 PRO CG C 29.3 0.2 1 192 . 35 PRO CD C 51.3 0.2 1 193 . 35 PRO N N 120.3 0.2 1 194 . 36 ALA H H 8.40 0.02 1 195 . 36 ALA HA H 4.07 0.02 1 196 . 36 ALA HB H 1.29 0.02 1 197 . 36 ALA C C 178.0 0.2 1 198 . 36 ALA CA C 54.8 0.2 1 199 . 36 ALA CB C 17.8 0.2 1 200 . 36 ALA N N 120.3 0.2 1 201 . 37 CYS H H 7.18 0.02 1 202 . 37 CYS HA H 4.09 0.02 1 203 . 37 CYS HB2 H 2.07 0.02 2 204 . 37 CYS HB3 H 2.27 0.02 2 205 . 37 CYS C C 175.7 0.2 1 206 . 37 CYS CA C 60.1 0.2 1 207 . 37 CYS CB C 30.0 0.2 1 208 . 37 CYS N N 116.9 0.2 1 209 . 38 GLY H H 8.35 0.02 1 210 . 38 GLY HA2 H 3.52 0.02 1 211 . 38 GLY HA3 H 4.41 0.02 1 212 . 38 GLY C C 174.2 0.2 1 213 . 38 GLY CA C 44.3 0.2 1 214 . 38 GLY N N 104.3 0.2 1 215 . 39 ASP H H 6.72 0.02 1 216 . 39 ASP HA H 5.33 0.02 1 217 . 39 ASP HB2 H 2.32 0.02 2 218 . 39 ASP HB3 H 2.62 0.02 2 219 . 39 ASP C C 179.2 0.2 1 220 . 39 ASP CA C 54.8 0.2 1 221 . 39 ASP CB C 42.6 0.2 1 222 . 39 ASP N N 117.9 0.2 1 223 . 40 VAL HA H 4.49 0.02 1 224 . 40 VAL HB H 2.99 0.02 1 225 . 40 VAL HG1 H 0.90 0.02 2 226 . 40 VAL HG2 H 0.83 0.02 2 227 . 40 VAL C C 173.6 0.2 1 228 . 40 VAL CA C 62.9 0.2 1 229 . 40 VAL CB C 35.0 0.2 1 230 . 40 VAL CG1 C 21.1 0.2 2 231 . 40 VAL CG2 C 23.3 0.2 2 232 . 41 MET H H 9.14 0.02 1 233 . 41 MET HA H 5.00 0.02 1 234 . 41 MET HB2 H 1.76 0.02 2 235 . 41 MET HB3 H 1.82 0.02 2 236 . 41 MET HG2 H 2.07 0.02 2 237 . 41 MET HG3 H 2.49 0.02 2 238 . 41 MET HE H 1.72 0.02 1 239 . 41 MET C C 172.3 0.2 1 240 . 41 MET CA C 54.8 0.2 1 241 . 41 MET CB C 37.1 0.2 1 242 . 41 MET CG C 31.0 0.2 1 243 . 41 MET CE C 17.6 0.2 1 244 . 41 MET N N 128.4 0.2 1 245 . 42 GLN H H 8.50 0.02 1 246 . 42 GLN HA H 5.57 0.02 1 247 . 42 GLN HB2 H 2.10 0.02 2 248 . 42 GLN HB3 H 2.34 0.02 2 249 . 42 GLN HG2 H 2.02 0.02 2 250 . 42 GLN HG3 H 2.08 0.02 2 251 . 42 GLN HE21 H 8.08 0.02 1 252 . 42 GLN HE22 H 7.09 0.02 1 253 . 42 GLN C C 173.8 0.2 1 254 . 42 GLN CA C 53.8 0.2 1 255 . 42 GLN CB C 32.2 0.2 1 256 . 42 GLN CG C 35.8 0.2 1 257 . 42 GLN N N 127.3 0.2 1 258 . 42 GLN NE2 N 112.9 0.2 1 259 . 43 LEU H H 9.07 0.02 1 260 . 43 LEU HA H 5.23 0.02 1 261 . 43 LEU HB2 H 1.27 0.02 2 262 . 43 LEU HB3 H 1.47 0.02 2 263 . 43 LEU HG H 1.43 0.02 1 264 . 43 LEU HD1 H 0.81 0.02 1 265 . 43 LEU HD2 H 0.74 0.02 1 266 . 43 LEU C C 175.3 0.2 1 267 . 43 LEU CA C 53.0 0.2 1 268 . 43 LEU CB C 46.4 0.2 1 269 . 43 LEU CG C 28.0 0.2 1 270 . 43 LEU CD1 C 26.9 0.2 1 271 . 43 LEU CD2 C 26.0 0.2 1 272 . 43 LEU N N 126.7 0.2 1 273 . 44 GLN H H 9.44 0.02 1 274 . 44 GLN HA H 5.96 0.02 1 275 . 44 GLN HB2 H 2.59 0.02 2 276 . 44 GLN HB3 H 2.64 0.02 2 277 . 44 GLN HG2 H 1.77 0.02 2 278 . 44 GLN HG3 H 2.03 0.02 2 279 . 44 GLN HE21 H 7.52 0.02 2 280 . 44 GLN HE22 H 6.62 0.02 2 281 . 44 GLN C C 174.3 0.2 1 282 . 44 GLN CA C 53.2 0.2 1 283 . 44 GLN CB C 35.8 0.2 1 284 . 44 GLN CG C 40.4 0.2 1 285 . 44 GLN N N 122.2 0.2 1 286 . 44 GLN NE2 N 112.9 0.2 1 287 . 45 ILE H H 8.99 0.02 1 288 . 45 ILE HA H 5.00 0.02 1 289 . 45 ILE HB H 1.69 0.02 1 290 . 45 ILE HG12 H 1.00 0.02 2 291 . 45 ILE HG13 H 1.40 0.02 2 292 . 45 ILE HG2 H 0.73 0.02 1 293 . 45 ILE HD1 H 0.46 0.02 1 294 . 45 ILE C C 172.7 0.2 1 295 . 45 ILE CA C 58.4 0.2 1 296 . 45 ILE CB C 41.4 0.2 1 297 . 45 ILE CG1 C 24.6 0.2 1 298 . 45 ILE CG2 C 17.2 0.2 1 299 . 45 ILE CD1 C 13.2 0.2 1 300 . 45 ILE N N 112.4 0.2 1 301 . 46 LYS H H 8.30 0.02 1 302 . 46 LYS HA H 5.09 0.02 1 303 . 46 LYS HB2 H 1.46 0.02 2 304 . 46 LYS HB3 H 2.05 0.02 2 305 . 46 LYS HG2 H 1.09 0.02 2 306 . 46 LYS HG3 H 1.27 0.02 2 307 . 46 LYS HD2 H 1.54 0.02 1 308 . 46 LYS HD3 H 1.54 0.02 1 309 . 46 LYS HE2 H 2.88 0.02 1 310 . 46 LYS HE3 H 2.88 0.02 1 311 . 46 LYS C C 174.4 0.2 1 312 . 46 LYS CA C 54.5 0.2 1 313 . 46 LYS CB C 36.0 0.2 1 314 . 46 LYS CG C 25.3 0.2 1 315 . 46 LYS CD C 29.5 0.2 1 316 . 46 LYS CE C 42.3 0.2 1 317 . 46 LYS N N 123.2 0.2 1 318 . 47 VAL H H 8.76 0.02 1 319 . 47 VAL HA H 4.39 0.02 1 320 . 47 VAL HB H 1.56 0.02 1 321 . 47 VAL HG1 H 0.73 0.02 1 322 . 47 VAL HG2 H -0.03 0.02 1 323 . 47 VAL C C 176.2 0.2 1 324 . 47 VAL CA C 61.3 0.2 1 325 . 47 VAL CB C 33.7 0.2 1 326 . 47 VAL CG1 C 20.8 0.2 1 327 . 47 VAL CG2 C 21.4 0.2 1 328 . 47 VAL N N 129.4 0.2 1 329 . 48 ASP H H 9.24 0.02 1 330 . 48 ASP HA H 4.66 0.02 1 331 . 48 ASP HB2 H 2.67 0.02 2 332 . 48 ASP HB3 H 3.28 0.02 2 333 . 48 ASP C C 177.9 0.2 1 334 . 48 ASP CA C 52.9 0.2 1 335 . 48 ASP CB C 41.3 0.2 1 336 . 48 ASP N N 128.9 0.2 1 337 . 49 ASP H H 8.34 0.02 1 338 . 49 ASP HA H 4.47 0.02 1 339 . 49 ASP HB2 H 2.58 0.02 2 340 . 49 ASP HB3 H 2.72 0.02 2 341 . 49 ASP C C 176.6 0.2 1 342 . 49 ASP CA C 56.2 0.2 1 343 . 49 ASP CB C 40.5 0.2 1 344 . 49 ASP N N 116.1 0.2 1 345 . 50 ASN H H 8.63 0.02 1 346 . 50 ASN HA H 4.89 0.02 1 347 . 50 ASN HB2 H 2.78 0.02 2 348 . 50 ASN HB3 H 2.92 0.02 2 349 . 50 ASN HD21 H 7.78 0.02 2 350 . 50 ASN HD22 H 6.89 0.02 2 351 . 50 ASN C C 175.4 0.2 1 352 . 50 ASN CA C 52.5 0.2 1 353 . 50 ASN CB C 39.9 0.2 1 354 . 50 ASN N N 117.1 0.2 1 355 . 50 ASN ND2 N 115.0 0.2 1 356 . 51 GLY H H 7.93 0.02 1 357 . 51 GLY HA2 H 3.42 0.02 2 358 . 51 GLY HA3 H 4.07 0.02 2 359 . 51 GLY C C 172.6 0.2 1 360 . 51 GLY CA C 46.0 0.2 1 361 . 51 GLY N N 108.5 0.2 1 362 . 52 ILE H H 8.19 0.02 1 363 . 52 ILE HA H 4.13 0.02 1 364 . 52 ILE HB H 2.21 0.02 1 365 . 52 ILE HG12 H 1.19 0.02 1 366 . 52 ILE HG13 H 1.19 0.02 1 367 . 52 ILE HG2 H 0.50 0.02 1 368 . 52 ILE HD1 H 0.53 0.02 1 369 . 52 ILE C C 175.8 0.2 1 370 . 52 ILE CA C 57.6 0.2 1 371 . 52 ILE CB C 36.3 0.2 1 372 . 52 ILE CG1 C 27.1 0.2 1 373 . 52 ILE CG2 C 17.3 0.2 1 374 . 52 ILE CD1 C 9.7 0.2 1 375 . 52 ILE N N 121.4 0.2 1 376 . 53 ILE H H 8.60 0.02 1 377 . 53 ILE HA H 3.98 0.02 1 378 . 53 ILE HB H 2.31 0.02 1 379 . 53 ILE HG12 H 1.69 0.02 2 380 . 53 ILE HG2 H 0.73 0.02 1 381 . 53 ILE HD1 H 0.71 0.02 1 382 . 53 ILE C C 174.7 0.2 1 383 . 53 ILE CA C 62.9 0.2 1 384 . 53 ILE CB C 36.3 0.2 1 385 . 53 ILE CG1 C 29.6 0.2 1 386 . 53 ILE CG2 C 18.3 0.2 1 387 . 53 ILE CD1 C 14.5 0.2 1 388 . 53 ILE N N 126.6 0.2 1 389 . 54 GLU H H 9.11 0.02 1 390 . 54 GLU HA H 4.45 0.02 1 391 . 54 GLU HB2 H 1.82 0.02 2 392 . 54 GLU HB3 H 2.09 0.02 2 393 . 54 GLU HG2 H 2.04 0.02 1 394 . 54 GLU HG3 H 2.04 0.02 1 395 . 54 GLU C C 176.0 0.2 1 396 . 54 GLU CA C 56.1 0.2 1 397 . 54 GLU CB C 31.9 0.2 1 398 . 54 GLU CG C 35.8 0.2 1 399 . 54 GLU N N 131.6 0.2 1 400 . 55 ASP H H 7.93 0.02 1 401 . 55 ASP HA H 4.78 0.02 1 402 . 55 ASP HB2 H 2.21 0.02 2 403 . 55 ASP HB3 H 2.64 0.02 2 404 . 55 ASP C C 172.6 0.2 1 405 . 55 ASP CA C 52.8 0.2 1 406 . 55 ASP CB C 44.4 0.2 1 407 . 55 ASP N N 116.3 0.2 1 408 . 56 ALA H H 8.51 0.02 1 409 . 56 ALA HA H 5.24 0.02 1 410 . 56 ALA HB H 1.26 0.02 1 411 . 56 ALA C C 174.5 0.2 1 412 . 56 ALA CA C 51.5 0.2 1 413 . 56 ALA CB C 22.6 0.2 1 414 . 56 ALA N N 123.5 0.2 1 415 . 57 LYS H H 8.67 0.02 1 416 . 57 LYS HA H 5.50 0.02 1 417 . 57 LYS HB2 H 1.10 0.02 2 418 . 57 LYS HB3 H 1.47 0.02 2 419 . 57 LYS HD2 H 1.71 0.02 1 420 . 57 LYS HD3 H 1.71 0.02 1 421 . 57 LYS C C 174.7 0.2 1 422 . 57 LYS CA C 52.9 0.2 1 423 . 57 LYS CB C 39.8 0.2 1 424 . 57 LYS CD C 29.0 0.2 1 425 . 57 LYS N N 116.8 0.2 1 426 . 58 PHE H H 8.61 0.02 1 427 . 58 PHE HA H 5.95 0.02 1 428 . 58 PHE HB2 H 2.64 0.02 2 429 . 58 PHE HB3 H 3.26 0.02 2 430 . 58 PHE C C 173.0 0.2 1 431 . 58 PHE CA C 56.2 0.2 1 432 . 58 PHE CB C 43.7 0.2 1 433 . 58 PHE N N 116.7 0.2 1 434 . 59 LYS H H 8.72 0.02 1 435 . 59 LYS HA H 4.33 0.02 1 436 . 59 LYS HB2 H 1.60 0.02 1 437 . 59 LYS HB3 H 1.60 0.02 1 438 . 59 LYS HG2 H 1.32 0.02 2 439 . 59 LYS HG3 H 1.54 0.02 2 440 . 59 LYS CA C 56.4 0.2 1 441 . 59 LYS CB C 35.4 0.2 1 442 . 59 LYS CG C 24.3 0.2 1 443 . 59 LYS N N 119.4 0.2 1 444 . 60 THR HA H 5.37 0.02 1 445 . 60 THR HB H 3.93 0.02 1 446 . 60 THR HG2 H 0.81 0.02 1 447 . 60 THR CA C 60.4 0.2 1 448 . 60 THR CB C 72.2 0.2 1 449 . 60 THR CG2 C 23.3 0.2 1 450 . 61 TYR H H 8.85 0.02 1 451 . 61 TYR HA H 4.85 0.02 1 452 . 61 TYR HB2 H 2.90 0.02 2 453 . 61 TYR HD1 H 7.08 0.02 1 454 . 61 TYR HD2 H 7.08 0.02 1 455 . 61 TYR HE1 H 6.73 0.02 1 456 . 61 TYR HE2 H 6.73 0.02 1 457 . 61 TYR CA C 56.0 0.2 1 458 . 61 TYR CB C 41.7 0.2 1 459 . 61 TYR CD1 C 133.6 0.2 1 460 . 61 TYR CD2 C 133.6 0.2 1 461 . 61 TYR CE1 C 117.6 0.2 1 462 . 61 TYR CE2 C 117.6 0.2 1 463 . 61 TYR N N 126.3 0.2 1 464 . 62 GLY H H 8.21 0.02 1 465 . 62 GLY HA2 H 3.65 0.02 2 466 . 62 GLY HA3 H 5.18 0.02 2 467 . 62 GLY CA C 45.1 0.2 1 468 . 62 GLY N N 111.1 0.2 1 469 . 63 CYS H H 9.30 0.02 1 470 . 63 CYS CA C 53.5 0.2 1 471 . 63 CYS N N 122.2 0.2 1 472 . 65 SER H H 8.17 0.02 1 473 . 65 SER HA H 4.40 0.02 1 474 . 65 SER HB2 H 3.94 0.02 2 475 . 65 SER HB3 H 4.08 0.02 2 476 . 65 SER CA C 62.6 0.2 1 477 . 65 SER CB C 64.0 0.2 1 478 . 65 SER N N 120.0 0.2 1 479 . 66 ALA H H 8.48 0.02 1 480 . 66 ALA HA H 3.73 0.02 1 481 . 66 ALA HB H 1.43 0.02 1 482 . 66 ALA CA C 55.7 0.2 1 483 . 66 ALA CB C 16.4 0.2 1 484 . 66 ALA N N 132.4 0.2 1 485 . 67 ILE H H 7.57 0.02 1 486 . 67 ILE HA H 3.26 0.02 1 487 . 67 ILE HB H 2.19 0.02 1 488 . 67 ILE HG12 H 1.24 0.02 2 489 . 67 ILE HG13 H 1.55 0.02 2 490 . 67 ILE HG2 H 1.17 0.02 1 491 . 67 ILE HD1 H 0.94 0.02 1 492 . 67 ILE CA C 65.7 0.2 1 493 . 67 ILE CB C 37.5 0.2 1 494 . 67 ILE CG1 C 30.0 0.2 1 495 . 67 ILE CG2 C 17.7 0.2 1 496 . 67 ILE CD1 C 13.2 0.2 1 497 . 67 ILE N N 123.4 0.2 1 498 . 68 ALA C C 173.9 0.2 1 499 . 68 ALA CA C 54.6 0.2 1 500 . 68 ALA CB C 18.0 0.2 1 501 . 69 SER H H 7.66 0.02 1 502 . 69 SER HA H 3.11 0.02 1 503 . 69 SER HB2 H 3.50 0.02 1 504 . 69 SER HB3 H 3.50 0.02 1 505 . 69 SER CA C 63.0 0.2 1 506 . 69 SER CB C 62.8 0.2 1 507 . 69 SER N N 111.7 0.2 1 508 . 70 SER HA H 3.61 0.02 1 509 . 70 SER CA C 61.1 0.2 1 510 . 70 SER CB C 61.3 0.2 1 511 . 70 SER C C 174.6 0.2 1 512 . 71 SER H H 7.40 0.02 1 513 . 71 SER HA H 4.26 0.02 1 514 . 71 SER HB2 H 3.90 0.02 2 515 . 71 SER CA C 60.5 0.2 1 516 . 71 SER CB C 61.8 0.2 1 517 . 71 SER N N 118.1 0.2 1 518 . 71 SER C C 176.0 0.2 1 519 . 72 LEU H H 7.58 0.02 1 520 . 72 LEU HA H 3.30 0.02 1 521 . 72 LEU HB2 H 0.46 0.02 2 522 . 72 LEU HB3 H 1.14 0.02 2 523 . 72 LEU HG H 0.21 0.02 1 524 . 72 LEU HD1 H 0.21 0.02 1 525 . 72 LEU HD2 H 0.08 0.02 1 526 . 72 LEU C C 178.8 0.2 1 527 . 72 LEU CA C 58.1 0.2 1 528 . 72 LEU CB C 42.3 0.2 1 529 . 72 LEU CG C 26.4 0.2 1 530 . 72 LEU CD1 C 23.3 0.2 1 531 . 72 LEU CD2 C 26.6 0.2 1 532 . 72 LEU N N 117.1 0.2 1 533 . 73 ILE H H 7.86 0.02 1 534 . 73 ILE HA H 3.95 0.02 1 535 . 73 ILE HB H 1.62 0.02 1 536 . 73 ILE HG12 H 1.34 0.02 1 537 . 73 ILE HG13 H 1.34 0.02 1 538 . 73 ILE HG2 H 0.95 0.02 1 539 . 73 ILE HD1 H 0.81 0.02 1 540 . 73 ILE C C 176.8 0.2 1 541 . 73 ILE CA C 63.0 0.2 1 542 . 73 ILE CB C 37.6 0.2 1 543 . 73 ILE CG1 C 29.1 0.2 1 544 . 73 ILE CG2 C 20.4 0.2 1 545 . 73 ILE CD1 C 15.1 0.2 1 546 . 73 ILE N N 114.3 0.2 1 547 . 74 THR H H 7.54 0.02 1 548 . 74 THR HA H 3.84 0.02 1 549 . 74 THR HB H 3.99 0.02 1 550 . 74 THR HG2 H 1.33 0.02 1 551 . 74 THR C C 175.7 0.2 1 552 . 74 THR CA C 65.4 0.2 1 553 . 74 THR CB C 68.0 0.2 1 554 . 74 THR CG2 C 23.7 0.2 1 555 . 74 THR N N 111.5 0.2 1 556 . 75 GLU H H 7.28 0.02 1 557 . 75 GLU HA H 4.29 0.02 1 558 . 75 GLU HB2 H 2.18 0.02 2 559 . 75 GLU HB3 H 2.36 0.02 2 560 . 75 GLU HG2 H 2.36 0.02 1 561 . 75 GLU HG3 H 2.36 0.02 1 562 . 75 GLU C C 179.7 0.2 1 563 . 75 GLU CA C 58.4 0.2 1 564 . 75 GLU CB C 30.1 0.2 1 565 . 75 GLU CG C 36.8 0.2 1 566 . 75 GLU N N 118.2 0.2 1 567 . 76 TRP H H 8.61 0.02 1 568 . 76 TRP HA H 4.52 0.02 1 569 . 76 TRP HB2 H 3.07 0.02 2 570 . 76 TRP HB3 H 3.33 0.02 2 571 . 76 TRP HD1 H 7.11 0.02 1 572 . 76 TRP HE1 H 10.3 0.02 1 573 . 76 TRP HE3 H 7.17 0.02 1 574 . 76 TRP HZ2 H 7.29 0.02 1 575 . 76 TRP HZ3 H 6.68 0.02 1 576 . 76 TRP HH2 H 6.99 0.02 1 577 . 76 TRP C C 178.6 0.2 1 578 . 76 TRP CA C 58.7 0.2 1 579 . 76 TRP CB C 30.3 0.2 1 580 . 76 TRP CD1 C 124.4 0.2 1 581 . 76 TRP CE3 C 119.2 0.2 1 582 . 76 TRP CZ2 C 114.6 0.2 1 583 . 76 TRP CZ3 C 120.7 0.2 1 584 . 76 TRP CH2 C 124.0 0.2 1 585 . 76 TRP N N 119.1 0.2 1 586 . 76 TRP NE1 N 129.1 0.2 1 587 . 77 VAL H H 8.02 0.02 1 588 . 77 VAL HA H 3.93 0.02 1 589 . 77 VAL HB H 2.33 0.02 1 590 . 77 VAL HG1 H 1.03 0.02 1 591 . 77 VAL HG2 H 0.93 0.02 1 592 . 77 VAL C C 175.5 0.2 1 593 . 77 VAL CA C 63.6 0.2 1 594 . 77 VAL CB C 31.4 0.2 1 595 . 77 VAL CG1 C 21.6 0.2 1 596 . 77 VAL CG2 C 18.7 0.2 1 597 . 77 VAL N N 107.4 0.2 1 598 . 78 LYS H H 6.70 0.02 1 599 . 78 LYS HA H 3.66 0.02 1 600 . 78 LYS HB2 H 1.81 0.02 1 601 . 78 LYS HB3 H 1.81 0.02 1 602 . 78 LYS HG2 H 1.04 0.02 2 603 . 78 LYS HG3 H 1.99 0.02 2 604 . 78 LYS HD2 H 1.84 0.02 1 605 . 78 LYS HD3 H 1.84 0.02 1 606 . 78 LYS HE2 H 3.12 0.02 1 607 . 78 LYS HE3 H 3.12 0.02 1 608 . 78 LYS C C 177.6 0.2 1 609 . 78 LYS CA C 59.1 0.2 1 610 . 78 LYS CB C 32.2 0.2 1 611 . 78 LYS CG C 26.2 0.2 1 612 . 78 LYS CD C 30.3 0.2 1 613 . 78 LYS CE C 41.6 0.2 1 614 . 78 LYS N N 118.8 0.2 1 615 . 79 GLY H H 9.35 0.02 1 616 . 79 GLY HA2 H 3.53 0.02 1 617 . 79 GLY HA3 H 4.17 0.02 1 618 . 79 GLY C C 174.1 0.2 1 619 . 79 GLY CA C 45.0 0.2 1 620 . 79 GLY N N 112.6 0.2 1 621 . 80 LYS H H 7.88 0.02 1 622 . 80 LYS HA H 4.60 0.02 1 623 . 80 LYS HB2 H 1.87 0.02 2 624 . 80 LYS HB3 H 2.04 0.02 2 625 . 80 LYS HG2 H 1.24 0.02 1 626 . 80 LYS HG3 H 1.24 0.02 1 627 . 80 LYS HD2 H 1.26 0.02 2 628 . 80 LYS HD3 H 1.38 0.02 2 629 . 80 LYS HE2 H 2.64 0.02 1 630 . 80 LYS HE3 H 2.79 0.02 1 631 . 80 LYS C C 176.0 0.2 1 632 . 80 LYS CA C 54.2 0.2 1 633 . 80 LYS CB C 34.1 0.2 1 634 . 80 LYS CG C 25.7 0.2 1 635 . 80 LYS CD C 28.2 0.2 1 636 . 80 LYS CE C 42.3 0.2 1 637 . 80 LYS N N 119.8 0.2 1 638 . 81 SER H H 8.97 0.02 1 639 . 81 SER HA H 4.95 0.02 1 640 . 81 SER HB2 H 3.98 0.02 2 641 . 81 SER HB3 H 4.41 0.02 2 642 . 81 SER C C 175.4 0.2 1 643 . 81 SER CA C 57.0 0.2 1 644 . 81 SER CB C 65.0 0.2 1 645 . 81 SER N N 115.7 0.2 1 646 . 82 LEU H H 8.06 0.02 1 647 . 82 LEU HA H 3.87 0.02 1 648 . 82 LEU HB2 H 1.39 0.02 2 649 . 82 LEU HB3 H 1.89 0.02 2 650 . 82 LEU HG H 1.83 0.02 1 651 . 82 LEU HD1 H 0.97 0.02 1 652 . 82 LEU HD2 H 0.65 0.02 1 653 . 82 LEU C C 180.3 0.2 1 654 . 82 LEU CA C 58.5 0.2 1 655 . 82 LEU CB C 41.2 0.2 1 656 . 82 LEU CG C 26.6 0.2 1 657 . 82 LEU CD1 C 26.6 0.2 1 658 . 82 LEU CD2 C 23.2 0.2 1 659 . 82 LEU N N 118.2 0.2 1 660 . 83 GLU H H 8.56 0.02 1 661 . 83 GLU HA H 3.92 0.02 1 662 . 83 GLU HB2 H 1.88 0.02 2 663 . 83 GLU HB3 H 2.01 0.02 2 664 . 83 GLU HG2 H 2.23 0.02 2 665 . 83 GLU HG3 H 2.30 0.02 2 666 . 83 GLU C C 179.2 0.2 1 667 . 83 GLU CA C 59.6 0.2 1 668 . 83 GLU CB C 29.5 0.2 1 669 . 83 GLU CG C 36.6 0.2 1 670 . 83 GLU N N 119.0 0.2 1 671 . 84 GLU H H 7.80 0.02 1 672 . 84 GLU HA H 3.95 0.02 1 673 . 84 GLU HB2 H 1.87 0.02 2 674 . 84 GLU HG2 H 2.30 0.02 2 675 . 84 GLU C C 180.3 0.2 1 676 . 84 GLU CA C 59.0 0.2 1 677 . 84 GLU CB C 30.6 0.2 1 678 . 84 GLU CG C 37.1 0.2 1 679 . 84 GLU N N 120.2 0.2 1 680 . 85 ALA H H 8.84 0.02 1 681 . 85 ALA HA H 4.00 0.02 1 682 . 85 ALA HB H 1.31 0.02 1 683 . 85 ALA C C 178.7 0.2 1 684 . 85 ALA CA C 54.8 0.2 1 685 . 85 ALA CB C 18.4 0.2 1 686 . 85 ALA N N 122.5 0.2 1 687 . 86 GLY H H 7.90 0.02 1 688 . 86 GLY HA2 H 3.74 0.02 1 689 . 86 GLY HA3 H 3.74 0.02 1 690 . 86 GLY C C 172.9 0.2 1 691 . 86 GLY CA C 45.7 0.2 1 692 . 86 GLY N N 101.8 0.2 1 693 . 87 ALA H H 7.14 0.02 1 694 . 87 ALA HA H 4.43 0.02 1 695 . 87 ALA HB H 1.43 0.02 1 696 . 87 ALA C C 177.7 0.2 1 697 . 87 ALA CA C 51.2 0.2 1 698 . 87 ALA CB C 19.1 0.2 1 699 . 87 ALA N N 120.3 0.2 1 700 . 88 ILE H H 6.97 0.02 1 701 . 88 ILE HA H 3.84 0.02 1 702 . 88 ILE HB H 1.70 0.02 1 703 . 88 ILE HG12 H 1.61 0.02 2 704 . 88 ILE HG13 H 1.71 0.02 2 705 . 88 ILE HG2 H 0.80 0.02 1 706 . 88 ILE HD1 H 0.65 0.02 1 707 . 88 ILE C C 175.0 0.2 1 708 . 88 ILE CA C 62.7 0.2 1 709 . 88 ILE CB C 38.0 0.2 1 710 . 88 ILE CG1 C 28.2 0.2 1 711 . 88 ILE CG2 C 17.1 0.2 1 712 . 88 ILE CD1 C 14.3 0.2 1 713 . 88 ILE N N 120.5 0.2 1 714 . 89 LYS H H 8.20 0.02 1 715 . 89 LYS HA H 4.71 0.02 1 716 . 89 LYS HB2 H 2.04 0.02 2 717 . 89 LYS HB3 H 2.06 0.02 2 718 . 89 LYS HG2 H 1.42 0.02 1 719 . 89 LYS HG3 H 1.42 0.02 1 720 . 89 LYS HD2 H 1.65 0.02 1 721 . 89 LYS HD3 H 1.65 0.02 1 722 . 89 LYS HE2 H 2.97 0.02 1 723 . 89 LYS HE3 H 2.97 0.02 1 724 . 89 LYS C C 179.3 0.2 1 725 . 89 LYS CA C 54.0 0.2 1 726 . 89 LYS CB C 35.4 0.2 1 727 . 89 LYS CG C 25.0 0.2 1 728 . 89 LYS CD C 28.6 0.2 1 729 . 89 LYS CE C 41.5 0.2 1 730 . 89 LYS N N 125.3 0.2 1 731 . 90 ASN H H 9.29 0.02 1 732 . 90 ASN HA H 4.04 0.02 1 733 . 90 ASN HB2 H 2.44 0.02 2 734 . 90 ASN HB3 H 2.89 0.02 2 735 . 90 ASN HD21 H 8.12 0.02 2 736 . 90 ASN HD22 H 7.08 0.02 2 737 . 90 ASN C C 176.3 0.2 1 738 . 90 ASN CA C 57.0 0.2 1 739 . 90 ASN CB C 38.2 0.2 1 740 . 90 ASN N N 120.6 0.2 1 741 . 90 ASN ND2 N 118.0 0.2 1 742 . 91 SER H H 8.01 0.02 1 743 . 91 SER HA H 4.10 0.02 1 744 . 91 SER HB2 H 3.85 0.02 1 745 . 91 SER HB3 H 3.85 0.02 1 746 . 91 SER C C 176.5 0.2 1 747 . 91 SER CA C 61.1 0.2 1 748 . 91 SER CB C 61.3 0.2 1 749 . 91 SER N N 114.7 0.2 1 750 . 92 GLN H H 7.35 0.02 1 751 . 92 GLN HA H 4.28 0.02 1 752 . 92 GLN HB2 H 2.24 0.02 2 753 . 92 GLN HB3 H 2.53 0.02 2 754 . 92 GLN HG2 H 2.29 0.02 2 755 . 92 GLN HG3 H 2.52 0.02 2 756 . 92 GLN HE21 H 6.71 0.02 2 757 . 92 GLN HE22 H 7.54 0.02 2 758 . 92 GLN C C 179.1 0.2 1 759 . 92 GLN CA C 58.6 0.2 1 760 . 92 GLN CB C 29.4 0.2 1 761 . 92 GLN CG C 35.0 0.2 1 762 . 92 GLN N N 121.5 0.2 1 763 . 92 GLN NE2 N 111.2 0.2 1 764 . 93 ILE H H 7.20 0.02 1 765 . 93 ILE HA H 3.42 0.02 1 766 . 93 ILE HB H 1.86 0.02 1 767 . 93 ILE HG12 H 1.55 0.02 1 768 . 93 ILE HG13 H 1.55 0.02 1 769 . 93 ILE HG2 H 0.55 0.02 1 770 . 93 ILE HD1 H 0.67 0.02 1 771 . 93 ILE CA C 64.4 0.2 1 772 . 93 ILE CB C 38.8 0.2 1 773 . 93 ILE CG1 C 28.4 0.2 1 774 . 93 ILE CG2 C 16.7 0.2 1 775 . 93 ILE CD1 C 14.2 0.2 1 776 . 93 ILE N N 120.5 0.2 1 777 . 94 ALA H H 8.14 0.02 1 778 . 94 ALA HA H 3.73 0.02 1 779 . 94 ALA HB H 1.48 0.02 1 780 . 94 ALA C C 179.7 0.2 1 781 . 94 ALA CA C 55.4 0.2 1 782 . 94 ALA CB C 17.9 0.2 1 783 . 94 ALA N N 119.0 0.2 1 784 . 95 GLU H H 7.98 0.02 1 785 . 95 GLU HA H 4.05 0.02 1 786 . 95 GLU HB2 H 2.05 0.02 2 787 . 95 GLU HB3 H 2.16 0.02 2 788 . 95 GLU HG2 H 2.28 0.02 2 789 . 95 GLU HG3 H 2.42 0.02 2 790 . 95 GLU C C 179.7 0.2 1 791 . 95 GLU CA C 59.0 0.2 1 792 . 95 GLU CB C 29.7 0.2 1 793 . 95 GLU CG C 36.5 0.2 1 794 . 95 GLU N N 116.2 0.2 1 795 . 96 GLU H H 7.73 0.02 1 796 . 96 GLU HA H 4.15 0.02 1 797 . 96 GLU HB2 H 2.31 0.02 2 798 . 96 GLU HB3 H 1.80 0.02 2 799 . 96 GLU HG2 H 2.10 0.02 1 800 . 96 GLU HG3 H 2.10 0.02 1 801 . 96 GLU C C 177.7 0.2 1 802 . 96 GLU CA C 58.9 0.2 1 803 . 96 GLU CB C 29.4 0.2 1 804 . 96 GLU CG C 34.9 0.2 1 805 . 96 GLU N N 120.6 0.2 1 806 . 97 LEU H H 7.31 0.02 1 807 . 97 LEU HA H 4.29 0.02 1 808 . 97 LEU HB2 H 1.46 0.02 1 809 . 97 LEU HB3 H 1.46 0.02 1 810 . 97 LEU HG H 1.48 0.02 1 811 . 97 LEU HD1 H 0.45 0.02 2 812 . 97 LEU HD2 H 0.56 0.02 2 813 . 97 LEU C C 174.6 0.2 1 814 . 97 LEU CA C 54.0 0.2 1 815 . 97 LEU CB C 41.9 0.2 1 816 . 97 LEU CG C 26.5 0.2 1 817 . 97 LEU CD1 C 26.4 0.2 2 818 . 97 LEU CD2 C 22.6 0.2 2 819 . 97 LEU N N 112.9 0.2 1 820 . 98 GLU H H 7.67 0.02 1 821 . 98 GLU HA H 3.82 0.02 1 822 . 98 GLU HB2 H 2.04 0.02 2 823 . 98 GLU HB3 H 2.22 0.02 2 824 . 98 GLU C C 176.6 0.2 1 825 . 98 GLU CA C 56.4 0.2 1 826 . 98 GLU CB C 26.8 0.2 1 827 . 98 GLU CG C 36.5 0.2 1 828 . 98 GLU N N 118.2 0.2 1 829 . 99 LEU H H 8.07 0.02 1 830 . 99 LEU HA H 5.53 0.02 1 831 . 99 LEU HB2 H 1.49 0.02 1 832 . 99 LEU HB3 H 1.49 0.02 1 833 . 99 LEU HG H 1.65 0.02 1 834 . 99 LEU HD1 H 1.05 0.02 2 835 . 99 LEU HD2 H 0.67 0.02 2 836 . 99 LEU C C 176.6 0.2 1 837 . 99 LEU CA C 52.9 0.2 1 838 . 99 LEU CB C 41.2 0.2 1 839 . 99 LEU CD1 C 21.5 0.2 1 840 . 99 LEU CD2 C 25.7 0.2 1 841 . 99 LEU N N 117.1 0.2 1 842 . 101 PRO HA H 4.22 0.02 1 843 . 101 PRO HB2 H 1.96 0.02 2 844 . 101 PRO HB3 H 2.38 0.02 2 845 . 101 PRO HG2 H 2.05 0.02 2 846 . 101 PRO HG3 H 2.18 0.02 2 847 . 101 PRO HD2 H 3.86 0.02 1 848 . 101 PRO HD3 H 3.86 0.02 1 849 . 101 PRO C C 179.8 0.2 1 850 . 101 PRO CA C 66.6 0.2 1 851 . 101 PRO CB C 31.9 0.2 1 852 . 101 PRO CG C 27.4 0.2 1 853 . 101 PRO CD C 50.0 0.2 1 854 . 102 VAL H H 8.06 0.02 1 855 . 102 VAL HA H 4.31 0.02 1 856 . 102 VAL HB H 2.40 0.02 1 857 . 102 VAL HG1 H 1.04 0.02 1 858 . 102 VAL HG2 H 1.09 0.02 1 859 . 102 VAL C C 176.5 0.2 1 860 . 102 VAL CA C 64.0 0.2 1 861 . 102 VAL CB C 31.4 0.2 1 862 . 102 VAL CG1 C 20.9 0.2 1 863 . 102 VAL CG2 C 20.7 0.2 1 864 . 102 VAL N N 112.4 0.2 1 865 . 103 LYS H H 8.33 0.02 1 866 . 103 LYS HA H 4.20 0.02 1 867 . 103 LYS HB2 H 1.68 0.02 1 868 . 103 LYS HB3 H 1.68 0.02 1 869 . 103 LYS HG2 H 1.37 0.02 1 870 . 103 LYS HG3 H 1.37 0.02 1 871 . 103 LYS C C 177.1 0.2 1 872 . 103 LYS CA C 53.8 0.2 1 873 . 103 LYS CB C 33.9 0.2 1 874 . 103 LYS N N 117.0 0.2 1 875 . 104 VAL H H 7.65 0.02 1 876 . 104 VAL HA H 3.65 0.02 1 877 . 104 VAL HB H 2.25 0.02 1 878 . 104 VAL HG1 H 0.97 0.02 1 879 . 104 VAL HG2 H 1.01 0.02 1 880 . 104 VAL CA C 66.5 0.2 1 881 . 104 VAL CB C 31.6 0.2 1 882 . 104 VAL CG1 C 20.8 0.2 1 883 . 104 VAL CG2 C 23.4 0.2 1 884 . 104 VAL N N 123.2 0.2 1 885 . 105 HIS HD2 H 6.87 0.02 1 886 . 105 HIS HE1 H 8.20 0.02 1 887 . 105 HIS ND1 N 171.4 0.2 1 888 . 105 HIS NE2 N 225.5 0.2 1 889 . 105 HIS HA H 4.32 0.02 1 890 . 105 HIS HB2 H 3.25 0.02 1 891 . 105 HIS HB3 H 3.25 0.02 1 892 . 105 HIS C C 176.3 0.2 1 893 . 105 HIS CA C 59.3 0.2 1 894 . 105 HIS CB C 26.8 0.2 1 895 . 105 HIS CD2 C 129.7 0.2 1 896 . 106 CYS H H 7.51 0.02 1 897 . 106 CYS HA H 3.70 0.02 1 898 . 106 CYS HB2 H 2.47 0.02 1 899 . 106 CYS HB3 H 2.47 0.02 1 900 . 106 CYS C C 175.1 0.2 1 901 . 106 CYS CA C 62.8 0.2 1 902 . 106 CYS CB C 28.1 0.2 1 903 . 106 CYS N N 120.6 0.2 1 904 . 107 SER H H 7.38 0.02 1 905 . 107 SER HA H 3.85 0.02 1 906 . 107 SER HB2 H 3.46 0.02 1 907 . 107 SER HB3 H 3.46 0.02 1 908 . 107 SER HG H 5.18 0.02 1 909 . 107 SER C C 175.4 0.2 1 910 . 107 SER CA C 60.7 0.2 1 911 . 107 SER CB C 62.4 0.2 1 912 . 107 SER N N 114.2 0.2 1 913 . 108 ILE H H 7.13 0.02 1 914 . 108 ILE HA H 3.64 0.02 1 915 . 108 ILE HB H 1.70 0.02 1 916 . 108 ILE HG12 H 1.54 0.02 1 917 . 108 ILE HG13 H 1.54 0.02 1 918 . 108 ILE HG2 H 0.95 0.02 1 919 . 108 ILE HD1 H 0.81 0.02 1 920 . 108 ILE C C 176.6 0.2 1 921 . 108 ILE CA C 65.1 0.2 1 922 . 108 ILE CB C 38.7 0.2 1 923 . 108 ILE CG1 C 29.2 0.2 1 924 . 108 ILE CG2 C 16.9 0.2 1 925 . 108 ILE CD1 C 13.5 0.2 1 926 . 108 ILE N N 126.0 0.2 1 927 . 109 LEU H H 7.72 0.02 1 928 . 109 LEU HA H 4.11 0.02 1 929 . 109 LEU HB2 H 1.66 0.02 2 930 . 109 LEU HB3 H 1.89 0.02 2 931 . 109 LEU HG H 1.79 0.02 1 932 . 109 LEU HD1 H 0.80 0.02 1 933 . 109 LEU HD2 H 0.77 0.02 1 934 . 109 LEU C C 177.1 0.2 1 935 . 109 LEU CA C 57.4 0.2 1 936 . 109 LEU CB C 42.6 0.2 1 937 . 109 LEU CG C 25.8 0.2 1 938 . 109 LEU CD1 C 25.3 0.2 1 939 . 109 LEU CD2 C 26.4 0.2 1 940 . 109 LEU N N 119.3 0.2 1 941 . 110 ALA H H 7.00 0.02 1 942 . 110 ALA HA H 3.92 0.02 1 943 . 110 ALA HB H 1.14 0.02 1 944 . 110 ALA C C 178.0 0.2 1 945 . 110 ALA CA C 55.0 0.2 1 946 . 110 ALA CB C 18.3 0.2 1 947 . 110 ALA N N 116.8 0.2 1 948 . 111 GLU H H 7.44 0.02 1 949 . 111 GLU HA H 3.74 0.02 1 950 . 111 GLU HB2 H 2.31 0.02 2 951 . 111 GLU HB3 H 2.54 0.02 2 952 . 111 GLU HG2 H 2.27 0.02 2 953 . 111 GLU C C 178.0 0.2 1 954 . 111 GLU CA C 59.5 0.2 1 955 . 111 GLU CB C 29.7 0.2 1 956 . 111 GLU CG C 36.0 0.2 1 957 . 111 GLU N N 117.8 0.2 1 958 . 112 ASP H H 8.87 0.02 1 959 . 112 ASP HA H 4.33 0.02 1 960 . 112 ASP HB2 H 2.51 0.02 2 961 . 112 ASP HB3 H 2.97 0.02 2 962 . 112 ASP C C 179.9 0.2 1 963 . 112 ASP CA C 57.2 0.2 1 964 . 112 ASP CB C 39.6 0.2 1 965 . 112 ASP N N 119.6 0.2 1 966 . 113 ALA H H 8.98 0.02 1 967 . 113 ALA HA H 3.82 0.02 1 968 . 113 ALA HB H 1.45 0.02 1 969 . 113 ALA C C 179.4 0.2 1 970 . 113 ALA CA C 55.8 0.2 1 971 . 113 ALA CB C 18.5 0.2 1 972 . 113 ALA N N 124.3 0.2 1 973 . 114 ILE H H 7.95 0.02 1 974 . 114 ILE HA H 3.95 0.02 1 975 . 114 ILE HB H 1.89 0.02 1 976 . 114 ILE HG12 H 1.14 0.02 2 977 . 114 ILE HG13 H 1.42 0.02 2 978 . 114 ILE HG2 H 1.04 0.02 1 979 . 114 ILE HD1 H 0.81 0.02 1 980 . 114 ILE C C 177.4 0.2 1 981 . 114 ILE CA C 62.5 0.2 1 982 . 114 ILE CB C 37.3 0.2 1 983 . 114 ILE CG1 C 29.5 0.2 1 984 . 114 ILE CG2 C 19.3 0.2 1 985 . 114 ILE CD1 C 13.9 0.2 1 986 . 114 ILE N N 117.9 0.2 1 987 . 115 LYS H H 7.92 0.02 1 988 . 115 LYS HA H 3.91 0.02 1 989 . 115 LYS HB2 H 1.91 0.02 1 990 . 115 LYS HB3 H 1.91 0.02 1 991 . 115 LYS HG2 H 1.48 0.02 2 992 . 115 LYS HG3 H 1.90 0.02 2 993 . 115 LYS HD2 H 1.75 0.02 1 994 . 115 LYS HD3 H 1.75 0.02 1 995 . 115 LYS HE2 H 3.08 0.02 1 996 . 115 LYS HE3 H 3.08 0.02 1 997 . 115 LYS C C 180.0 0.2 1 998 . 115 LYS CA C 60.8 0.2 1 999 . 115 LYS CB C 32.4 0.2 1 1000 . 115 LYS CG C 27.0 0.2 1 1001 . 115 LYS CD C 29.5 0.2 1 1002 . 115 LYS CE C 42.5 0.2 1 1003 . 115 LYS N N 121.3 0.2 1 1004 . 116 ALA H H 8.38 0.02 1 1005 . 116 ALA HA H 4.29 0.02 1 1006 . 116 ALA HB H 1.54 0.02 1 1007 . 116 ALA C C 180.0 0.2 1 1008 . 116 ALA CA C 54.8 0.2 1 1009 . 116 ALA CB C 18.2 0.2 1 1010 . 116 ALA N N 122.2 0.2 1 1011 . 117 ALA H H 8.58 0.02 1 1012 . 117 ALA HA H 3.88 0.02 1 1013 . 117 ALA HB H 1.42 0.02 1 1014 . 117 ALA C C 179.7 0.2 1 1015 . 117 ALA CA C 55.5 0.2 1 1016 . 117 ALA CB C 18.2 0.2 1 1017 . 117 ALA N N 124.8 0.2 1 1018 . 118 ILE H H 8.36 0.02 1 1019 . 118 ILE HA H 3.53 0.02 1 1020 . 118 ILE HB H 1.87 0.02 1 1021 . 118 ILE HG12 H 1.70 0.02 2 1022 . 118 ILE HG13 H 1.97 0.02 2 1023 . 118 ILE HG2 H 0.98 0.02 1 1024 . 118 ILE HD1 H 0.82 0.02 1 1025 . 118 ILE C C 177.4 0.2 1 1026 . 118 ILE CA C 66.5 0.2 1 1027 . 118 ILE CB C 38.6 0.2 1 1028 . 118 ILE CG1 C 29.5 0.2 1 1029 . 118 ILE CG2 C 17.4 0.2 1 1030 . 118 ILE CD1 C 14.6 0.2 1 1031 . 118 ILE N N 118.4 0.2 1 1032 . 119 ALA H H 8.06 0.02 1 1033 . 119 ALA HA H 4.11 0.02 1 1034 . 119 ALA HB H 1.54 0.02 1 1035 . 119 ALA C C 180.6 0.2 1 1036 . 119 ALA CA C 55.4 0.2 1 1037 . 119 ALA CB C 18.0 0.2 1 1038 . 119 ALA N N 121.3 0.2 1 1039 . 120 ASP H H 8.10 0.02 1 1040 . 120 ASP HA H 4.48 0.02 1 1041 . 120 ASP HB2 H 2.90 0.02 2 1042 . 120 ASP HB3 H 2.96 0.02 2 1043 . 120 ASP C C 177.3 0.2 1 1044 . 120 ASP CA C 57.8 0.2 1 1045 . 120 ASP CB C 43.9 0.2 1 1046 . 120 ASP N N 119.9 0.2 1 1047 . 121 TYR H H 8.08 0.02 1 1048 . 121 TYR HA H 3.98 0.02 1 1049 . 121 TYR HB2 H 2.87 0.02 2 1050 . 121 TYR HB3 H 3.19 0.02 2 1051 . 121 TYR HD1 H 6.75 0.02 1 1052 . 121 TYR HD2 H 6.75 0.02 1 1053 . 121 TYR HE1 H 6.76 0.02 1 1054 . 121 TYR HE2 H 6.76 0.02 1 1055 . 121 TYR C C 177.8 0.2 1 1056 . 121 TYR CA C 62.0 0.2 1 1057 . 121 TYR CB C 37.9 0.2 1 1058 . 121 TYR CD1 C 132.5 0.2 1 1059 . 121 TYR CD2 C 132.5 0.2 1 1060 . 121 TYR CE1 C 118.5 0.2 1 1061 . 121 TYR CE2 C 118.5 0.2 1 1062 . 121 TYR N N 118.5 0.2 1 1063 . 122 LYS H H 8.83 0.02 1 1064 . 122 LYS HA H 3.55 0.02 1 1065 . 122 LYS HB2 H 1.92 0.02 2 1066 . 122 LYS HD2 H 1.80 0.02 2 1067 . 122 LYS HE2 H 3.00 0.02 2 1068 . 122 LYS C C 179.9 0.2 1 1069 . 122 LYS CA C 60.4 0.2 1 1070 . 122 LYS CB C 32.3 0.2 1 1071 . 122 LYS CG C 26.6 0.2 1 1072 . 122 LYS CD C 33.1 0.2 1 1073 . 122 LYS CE C 41.9 0.2 1 1074 . 122 LYS N N 118.5 0.2 1 1075 . 123 ALA H H 8.15 0.02 1 1076 . 123 ALA HA H 4.12 0.02 1 1077 . 123 ALA HB H 1.56 0.02 1 1078 . 123 ALA C C 180.5 0.2 1 1079 . 123 ALA CA C 54.6 0.2 1 1080 . 123 ALA CB C 17.9 0.2 1 1081 . 123 ALA N N 122.4 0.2 1 1082 . 124 LYS H H 7.82 0.02 1 1083 . 124 LYS HA H 4.00 0.02 1 1084 . 124 LYS C C 178.9 0.2 1 1085 . 124 LYS CA C 59.0 0.2 1 1086 . 124 LYS CB C 33.2 0.2 1 1087 . 124 LYS N N 118.3 0.2 1 1088 . 125 GLN H H 7.59 0.02 1 1089 . 125 GLN HA H 3.94 0.02 1 1090 . 125 GLN HB2 H 2.10 0.02 1 1091 . 125 GLN HB3 H 2.10 0.02 1 1092 . 125 GLN HG2 H 1.91 0.02 1 1093 . 125 GLN HG3 H 1.91 0.02 1 1094 . 125 GLN HE21 H 6.95 0.02 2 1095 . 125 GLN HE22 H 6.64 0.02 2 1096 . 125 GLN C C 177.4 0.2 1 1097 . 125 GLN CA C 56.0 0.2 1 1098 . 125 GLN CB C 28.2 0.2 1 1099 . 125 GLN CG C 32.8 0.2 1 1100 . 125 GLN N N 116.3 0.2 1 1101 . 125 GLN NE2 N 117.4 0.2 1 1102 . 126 GLY H H 7.90 0.02 1 1103 . 126 GLY HA2 H 3.92 0.02 1 1104 . 126 GLY HA3 H 3.92 0.02 1 1105 . 126 GLY C C 174.8 0.2 1 1106 . 126 GLY CA C 45.8 0.2 1 1107 . 126 GLY N N 107.0 0.2 1 1108 . 127 LEU H H 7.78 0.02 1 1109 . 127 LEU HA H 4.23 0.02 1 1110 . 127 LEU HB2 H 1.55 0.02 1 1111 . 127 LEU HB3 H 1.55 0.02 1 1112 . 127 LEU HG H 1.60 0.02 1 1113 . 127 LEU HD1 H 0.89 0.02 1 1114 . 127 LEU HD2 H 0.82 0.02 1 1115 . 127 LEU C C 177.8 0.2 1 1116 . 127 LEU CA C 55.6 0.2 1 1117 . 127 LEU CB C 42.5 0.2 1 1118 . 127 LEU CG C 27.1 0.2 1 1119 . 127 LEU CD1 C 25.0 0.2 1 1120 . 127 LEU CD2 C 22.9 0.2 1 1121 . 127 LEU N N 120.6 0.2 1 1122 . 128 GLU H H 8.14 0.02 1 1123 . 128 GLU HA H 4.13 0.02 1 1124 . 128 GLU HB2 H 1.84 0.02 2 1125 . 128 GLU HB3 H 1.88 0.02 2 1126 . 128 GLU HG2 H 2.10 0.02 2 1127 . 128 GLU HG3 H 2.15 0.02 2 1128 . 128 GLU C C 176.4 0.2 1 1129 . 128 GLU CA C 56.8 0.2 1 1130 . 128 GLU CB C 30.0 0.2 1 1131 . 128 GLU CG C 35.9 0.2 1 1132 . 128 GLU N N 119.5 0.2 1 1133 . 129 HIS H H 8.18 0.02 1 1134 . 129 HIS HA H 4.54 0.02 1 1135 . 129 HIS HB2 H 3.03 0.02 1 1136 . 129 HIS HB3 H 3.03 0.02 1 1137 . 129 HIS C C 173.8 0.2 1 1138 . 129 HIS N N 118.8 0.2 1 1139 . 129 HIS CA C 55.9 0.2 1 1140 . 129 HIS CB C 29.9 0.2 1 1141 . 130 HIS H H 8.20 0.02 1 1142 . 130 HIS HA H 4.42 0.02 1 1143 . 130 HIS HB2 H 3.03 0.02 2 1144 . 130 HIS HB3 H 3.09 0.02 2 1145 . 130 HIS CA C 57.2 0.2 1 1146 . 130 HIS N N 125.3 0.2 1 1147 . 130 HIS CB C 30.1 0.2 1 stop_ save_