data_5589 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side chain 1H, 13C, and 15N chemical shift assignments for V. cholerae VC0424 ; _BMRB_accession_number 5589 _BMRB_flat_file_name bmr5589.str _Entry_type original _Submission_date 2002-11-14 _Accession_date 2002-11-14 _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 Cort John R. . 3 Ni Shuisong . . 4 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" 717 "13C chemical shifts" 552 "15N chemical shifts" 130 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-07-15 update BMRB 'added time domain data' 2003-06-23 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of Vibrio cholorae protein VC0424: A variation of the Ferredoxin-like fold ; _Citation_status published _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 Ramelot Theresa A. . 2 Ni S. . . 3 Goldsmith-Fischman S. . . 4 Cort J. R. . 5 Honig B. . . 6 Kennedy M. A. . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 12 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1562 _Page_last 1566 _Year 2003 _Details . loop_ _Keyword VC0424 NMR 'ferredoxin-like fold' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref_1 _Saveframe_category citation _Citation_full ; Brunger AT. X-PLOR Version 3.1: a system for X-ray crystallography and NMR. New Haven, CY:Yale University Press; 1992.382 p. ; _Citation_title . _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_system_VC0424 _Saveframe_category molecular_system _Mol_system_name VC0424 _Abbreviation_common VC0424 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label VC0424 $VC0424 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_VC0424 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common VC0424 _Abbreviation_common VC0424 _Molecular_mass 15324 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 132 _Mol_residue_sequence ; MSHQDDYLSVEELIEIQKEE TRDIIQALLEDGSDPDALYE IEHHLFAEDFDKLEKAAVEA FKMGFEVLEAEETEDEDGNK LLCFDATMQSALDAKLIDEQ VEKLVNLAEKFDIIYDGWGT YYEGLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 HIS 4 GLN 5 ASP 6 ASP 7 TYR 8 LEU 9 SER 10 VAL 11 GLU 12 GLU 13 LEU 14 ILE 15 GLU 16 ILE 17 GLN 18 LYS 19 GLU 20 GLU 21 THR 22 ARG 23 ASP 24 ILE 25 ILE 26 GLN 27 ALA 28 LEU 29 LEU 30 GLU 31 ASP 32 GLY 33 SER 34 ASP 35 PRO 36 ASP 37 ALA 38 LEU 39 TYR 40 GLU 41 ILE 42 GLU 43 HIS 44 HIS 45 LEU 46 PHE 47 ALA 48 GLU 49 ASP 50 PHE 51 ASP 52 LYS 53 LEU 54 GLU 55 LYS 56 ALA 57 ALA 58 VAL 59 GLU 60 ALA 61 PHE 62 LYS 63 MET 64 GLY 65 PHE 66 GLU 67 VAL 68 LEU 69 GLU 70 ALA 71 GLU 72 GLU 73 THR 74 GLU 75 ASP 76 GLU 77 ASP 78 GLY 79 ASN 80 LYS 81 LEU 82 LEU 83 CYS 84 PHE 85 ASP 86 ALA 87 THR 88 MET 89 GLN 90 SER 91 ALA 92 LEU 93 ASP 94 ALA 95 LYS 96 LEU 97 ILE 98 ASP 99 GLU 100 GLN 101 VAL 102 GLU 103 LYS 104 LEU 105 VAL 106 ASN 107 LEU 108 ALA 109 GLU 110 LYS 111 PHE 112 ASP 113 ILE 114 ILE 115 TYR 116 ASP 117 GLY 118 TRP 119 GLY 120 THR 121 TYR 122 TYR 123 GLU 124 GLY 125 LEU 126 GLU 127 HIS 128 HIS 129 HIS 130 HIS 131 HIS 132 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-07-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1NXI "Solution Structure Of Vibrio Cholerae Protein Vc0424" 100.00 132 100.00 100.00 4.54e-87 DBJ BAP01933 "ribonuclease E inhibitor RraB [Vibrio cholerae MS6]" 93.94 140 100.00 100.00 2.10e-80 GB AAF93597 "conserved hypothetical protein [Vibrio cholerae O1 biovar El Tor str. N16961]" 93.94 140 100.00 100.00 2.10e-80 GB ABQ21042 "conserved hypothetical protein [Vibrio cholerae O395]" 93.94 140 100.00 100.00 2.10e-80 GB ACP04735 "conserved hypothetical protein [Vibrio cholerae M66-2]" 93.94 140 100.00 100.00 2.10e-80 GB ACP08488 "conserved hypothetical protein [Vibrio cholerae O395]" 93.94 140 100.00 100.00 2.10e-80 GB ACQ59373 "hypothetical protein VCD_001198 [Vibrio cholerae MJ-1236]" 93.18 140 100.00 100.00 3.39e-79 REF NP_230078 "hypothetical protein VC0424 [Vibrio cholerae O1 biovar El Tor str. N16961]" 93.94 140 100.00 100.00 2.10e-80 REF WP_000019330 "regulator [Vibrio cholerae]" 93.94 140 99.19 100.00 5.66e-80 REF WP_000019331 "MULTISPECIES: regulator [Vibrio]" 93.94 140 100.00 100.00 2.10e-80 REF WP_000019332 "regulator [Vibrio cholerae]" 93.18 140 100.00 100.00 3.39e-79 REF WP_000019333 "regulator [Vibrio cholerae]" 93.94 140 99.19 99.19 8.48e-80 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic _Details $VC0424 'V. cholerae' 666 Eubacteria . Vibrio cholerae N16961 VC0424 'ATCC genomic DNA. Cat. no. 51394D' 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 $VC0424 'recombinant technology' 'E. coli' Escherichia coli . plasmid pet28b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $VC0424 . mM 1 2 '[U-15N; U-13C]' 'Tris buffer' 20 mM . . . NaCl 500 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 _Saveframe_category software _Name XPLOR _Version 3.84 loop_ _Task 'structure calculations' stop_ _Details . _Citation_label $ref_1 save_ save_Sparky _Saveframe_category software _Name Sparky _Version 3.98 loop_ _Task 'chemical shift and noesy assignments' stop_ _Details http://www.cgl.ucsf/home/sparky save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 750 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _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 $sample_1 save_ save_1H-13C_HSQC_(aliph,_no_CT)_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC (aliph, no CT)' _Sample_label $sample_1 save_ save_15N-edited_NOESY-HQSC_(80_ms)_3 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited NOESY-HQSC (80 ms)' _Sample_label $sample_1 save_ save_HCC-TOCSY-NNH_4 _Saveframe_category NMR_applied_experiment _Experiment_name HCC-TOCSY-NNH _Sample_label $sample_1 save_ save_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_1 save_ save_13C-edited_NOESY-HSQC_(aliph)_6 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited NOESY-HSQC (aliph)' _Sample_label $sample_1 save_ save_CBCACOCAHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACOCAHA _Sample_label $sample_1 save_ save_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CBCA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_CC-TOCSY-NNH_11 _Saveframe_category NMR_applied_experiment _Experiment_name CC-TOCSY-NNH _Sample_label $sample_1 save_ save_HNHA_12 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label $sample_1 save_ save_HNHB_13 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _Sample_label $sample_1 save_ save_4D_CC-NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '4D CC-NOESY' _Sample_label $sample_1 save_ save_1H-13C_HSQC_(aliph,_CT)_15 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC (aliph, CT)' _Sample_label $sample_1 save_ save_1H-13C_HSQC_(alpha,_no_CT)_16 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC (alpha, no CT)' _Sample_label $sample_1 save_ save_1H-13C_HSQC_(alpha,_CT)_17 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC (alpha, CT)' _Sample_label $sample_1 save_ save_1H-13C_HSQC_(arom,_CT)_18 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC (arom, CT)' _Sample_label $sample_1 save_ save_13C-edited_NOESY-HSQC_(arom)_19 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited NOESY-HSQC (arom)' _Sample_label $sample_1 save_ save_15N-edited_NOESY-HQSC_(150_ms)_20 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited NOESY-HQSC (150 ms)' _Sample_label $sample_1 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, no CT)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_3 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited NOESY-HQSC (80 ms)' _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 HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_10 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_11 _Saveframe_category NMR_applied_experiment _Experiment_name CC-TOCSY-NNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_12 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_13 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_14 _Saveframe_category NMR_applied_experiment _Experiment_name '4D CC-NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_15 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC (aliph, CT)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_16 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC (alpha, no CT)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_17 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC (alpha, CT)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_18 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC (arom, CT)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_19 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited NOESY-HSQC (arom)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_20 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited NOESY-HQSC (150 ms)' _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 7.2 0.1 n/a temperature 298 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_VC0424_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name VC0424 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 3 HIS N N 120.9 0.1 1 2 . 4 GLN HE21 H 6.87 0.02 2 3 . 4 GLN HE22 H 7.66 0.02 2 4 . 4 GLN C C 175.7 0.1 1 5 . 4 GLN CA C 56.4 0.1 1 6 . 4 GLN CB C 29.6 0.1 1 7 . 4 GLN NE2 N 112.1 0.1 1 8 . 5 ASP H H 8.45 0.02 1 9 . 5 ASP HA H 4.63 0.02 1 10 . 5 ASP HB2 H 2.73 0.02 2 11 . 5 ASP HB3 H 2.63 0.02 2 12 . 5 ASP C C 175.7 0.1 1 13 . 5 ASP CA C 54.9 0.1 1 14 . 5 ASP CB C 41.5 0.1 1 15 . 5 ASP N N 121.0 0.1 1 16 . 6 ASP H H 8.21 0.02 1 17 . 6 ASP HA H 4.60 0.02 1 18 . 6 ASP HB2 H 2.63 0.02 1 19 . 6 ASP HB3 H 2.63 0.02 1 20 . 6 ASP C C 175.5 0.1 1 21 . 6 ASP CA C 54.6 0.1 1 22 . 6 ASP CB C 41.3 0.1 1 23 . 6 ASP N N 119.8 0.1 1 24 . 7 TYR H H 8.03 0.02 1 25 . 7 TYR HA H 4.59 0.02 1 26 . 7 TYR HB2 H 3.04 0.02 1 27 . 7 TYR HB3 H 3.04 0.02 1 28 . 7 TYR HD1 H 7.14 0.02 1 29 . 7 TYR HD2 H 7.14 0.02 1 30 . 7 TYR HE1 H 6.87 0.02 1 31 . 7 TYR HE2 H 6.87 0.02 1 32 . 7 TYR C C 175.2 0.1 1 33 . 7 TYR CA C 58.0 0.1 1 34 . 7 TYR CB C 39.1 0.1 1 35 . 7 TYR CD1 C 133.2 0.1 1 36 . 7 TYR CD2 C 133.2 0.1 1 37 . 7 TYR CE1 C 118.3 0.1 1 38 . 7 TYR CE2 C 118.3 0.1 1 39 . 7 TYR N N 119.8 0.1 1 40 . 8 LEU H H 7.98 0.02 1 41 . 8 LEU HA H 4.46 0.02 1 42 . 8 LEU HB2 H 1.51 0.02 2 43 . 8 LEU HB3 H 1.62 0.02 2 44 . 8 LEU HG H 1.61 0.02 1 45 . 8 LEU HD1 H 0.87 0.02 2 46 . 8 LEU HD2 H 0.89 0.02 2 47 . 8 LEU C C 176.3 0.1 1 48 . 8 LEU CA C 54.7 0.1 1 49 . 8 LEU CB C 43.7 0.1 1 50 . 8 LEU CG C 27.2 0.1 1 51 . 8 LEU CD1 C 24.2 0.1 2 52 . 8 LEU CD2 C 26.0 0.1 2 53 . 8 LEU N N 125.1 0.1 1 54 . 9 SER H H 8.68 0.02 1 55 . 9 SER HA H 4.46 0.02 1 56 . 9 SER HB2 H 4.12 0.02 2 57 . 9 SER HB3 H 4.41 0.02 2 58 . 9 SER C C 174.8 0.1 1 59 . 9 SER CA C 57.5 0.1 1 60 . 9 SER CB C 65.6 0.1 1 61 . 9 SER N N 118.3 0.1 1 62 . 10 VAL H H 8.73 0.02 1 63 . 10 VAL HA H 3.70 0.02 1 64 . 10 VAL HB H 2.07 0.02 1 65 . 10 VAL HG1 H 0.97 0.02 2 66 . 10 VAL HG2 H 1.08 0.02 2 67 . 10 VAL C C 177.2 0.1 1 68 . 10 VAL CA C 66.8 0.1 1 69 . 10 VAL CB C 31.9 0.1 1 70 . 10 VAL CG1 C 21.3 0.1 2 71 . 10 VAL CG2 C 23.1 0.1 2 72 . 10 VAL N N 121.5 0.1 1 73 . 11 GLU H H 8.55 0.02 1 74 . 11 GLU HA H 3.95 0.02 1 75 . 11 GLU HB2 H 2.04 0.02 1 76 . 11 GLU HB3 H 2.04 0.02 1 77 . 11 GLU HG2 H 2.34 0.02 2 78 . 11 GLU HG3 H 2.44 0.02 2 79 . 11 GLU C C 179.5 0.1 1 80 . 11 GLU CA C 60.7 0.1 1 81 . 11 GLU CB C 29.1 0.1 1 82 . 11 GLU CG C 36.9 0.1 1 83 . 11 GLU N N 117.8 0.1 1 84 . 12 GLU H H 7.79 0.02 1 85 . 12 GLU HA H 4.11 0.02 1 86 . 12 GLU HB2 H 2.09 0.02 1 87 . 12 GLU HB3 H 2.09 0.02 1 88 . 12 GLU HG2 H 2.33 0.02 2 89 . 12 GLU HG3 H 2.42 0.02 2 90 . 12 GLU C C 178.9 0.1 1 91 . 12 GLU CA C 59.4 0.1 1 92 . 12 GLU CB C 30.6 0.1 1 93 . 12 GLU CG C 37.6 0.1 1 94 . 12 GLU N N 119.9 0.1 1 95 . 13 LEU H H 8.45 0.02 1 96 . 13 LEU HA H 4.09 0.02 1 97 . 13 LEU HB2 H 1.75 0.02 2 98 . 13 LEU HB3 H 1.88 0.02 2 99 . 13 LEU HG H 1.73 0.02 1 100 . 13 LEU HD1 H 0.94 0.02 2 101 . 13 LEU HD2 H 1.05 0.02 2 102 . 13 LEU C C 179.9 0.1 1 103 . 13 LEU CA C 58.5 0.1 1 104 . 13 LEU CB C 42.0 0.1 1 105 . 13 LEU CG C 27.1 0.1 1 106 . 13 LEU CD1 C 26.0 0.1 2 107 . 13 LEU CD2 C 25.0 0.1 2 108 . 13 LEU N N 121.5 0.1 1 109 . 14 ILE H H 8.62 0.02 1 110 . 14 ILE HA H 3.65 0.02 1 111 . 14 ILE HB H 2.09 0.02 1 112 . 14 ILE HG12 H 1.12 0.02 2 113 . 14 ILE HG13 H 1.82 0.02 2 114 . 14 ILE HG2 H 0.92 0.02 1 115 . 14 ILE HD1 H 0.84 0.02 1 116 . 14 ILE C C 178.7 0.1 1 117 . 14 ILE CA C 65.3 0.1 1 118 . 14 ILE CB C 37.7 0.1 1 119 . 14 ILE CG1 C 30.2 0.1 1 120 . 14 ILE CG2 C 17.2 0.1 1 121 . 14 ILE CD1 C 13.3 0.1 1 122 . 14 ILE N N 119.7 0.1 1 123 . 15 GLU H H 7.79 0.02 1 124 . 15 GLU HA H 4.05 0.02 1 125 . 15 GLU HB2 H 2.24 0.02 2 126 . 15 GLU HG2 H 2.44 0.02 2 127 . 15 GLU HG3 H 2.38 0.02 2 128 . 15 GLU C C 179.5 0.1 1 129 . 15 GLU CA C 60.0 0.1 1 130 . 15 GLU CB C 29.6 0.1 1 131 . 15 GLU CG C 35.9 0.1 1 132 . 15 GLU N N 120.5 0.1 1 133 . 16 ILE H H 8.09 0.02 1 134 . 16 ILE HA H 3.95 0.02 1 135 . 16 ILE HB H 2.01 0.02 1 136 . 16 ILE HG12 H 1.24 0.02 1 137 . 16 ILE HG13 H 1.84 0.02 1 138 . 16 ILE HG2 H 1.01 0.02 1 139 . 16 ILE HD1 H 0.93 0.02 1 140 . 16 ILE C C 179.4 0.1 1 141 . 16 ILE CA C 65.2 0.1 1 142 . 16 ILE CB C 39.0 0.1 1 143 . 16 ILE CG1 C 29.6 0.1 1 144 . 16 ILE CG2 C 17.4 0.1 1 145 . 16 ILE CD1 C 14.2 0.1 1 146 . 16 ILE N N 121.0 0.1 1 147 . 17 GLN H H 8.55 0.02 1 148 . 17 GLN HA H 4.23 0.02 1 149 . 17 GLN HB2 H 2.40 0.02 2 150 . 17 GLN HG2 H 2.80 0.02 2 151 . 17 GLN C C 177.6 0.1 1 152 . 17 GLN CA C 57.9 0.1 1 153 . 17 GLN CB C 27.6 0.1 1 154 . 17 GLN CG C 35.0 0.1 1 155 . 17 GLN N N 119.7 0.1 1 156 . 18 LYS H H 8.56 0.02 1 157 . 18 LYS HA H 4.28 0.02 1 158 . 18 LYS HB2 H 2.00 0.02 2 159 . 18 LYS HB3 H 2.13 0.02 2 160 . 18 LYS HG2 H 1.59 0.02 2 161 . 18 LYS HG3 H 1.86 0.02 2 162 . 18 LYS HD2 H 1.68 0.02 1 163 . 18 LYS HD3 H 1.68 0.02 1 164 . 18 LYS HE2 H 2.85 0.02 2 165 . 18 LYS HE3 H 3.00 0.02 2 166 . 18 LYS C C 180.6 0.1 1 167 . 18 LYS CA C 60.9 0.1 1 168 . 18 LYS CB C 33.2 0.1 1 169 . 18 LYS CG C 26.6 0.1 1 170 . 18 LYS CD C 30.0 0.1 1 171 . 18 LYS CE C 41.9 0.1 1 172 . 18 LYS N N 121.2 0.1 1 173 . 19 GLU H H 7.28 0.02 1 174 . 19 GLU HA H 4.21 0.02 1 175 . 19 GLU HB2 H 2.25 0.02 1 176 . 19 GLU HB3 H 2.25 0.02 1 177 . 19 GLU HG2 H 2.53 0.02 1 178 . 19 GLU HG3 H 2.53 0.02 1 179 . 19 GLU C C 178.3 0.1 1 180 . 19 GLU CA C 59.6 0.1 1 181 . 19 GLU CB C 29.8 0.1 1 182 . 19 GLU CG C 36.1 0.1 1 183 . 19 GLU N N 118.5 0.1 1 184 . 20 GLU H H 7.62 0.02 1 185 . 20 GLU HA H 4.19 0.02 1 186 . 20 GLU HB2 H 2.25 0.02 1 187 . 20 GLU HB3 H 2.25 0.02 1 188 . 20 GLU HG2 H 2.52 0.02 1 189 . 20 GLU HG3 H 2.52 0.02 1 190 . 20 GLU C C 178.4 0.1 1 191 . 20 GLU CA C 59.6 0.1 1 192 . 20 GLU CB C 29.5 0.1 1 193 . 20 GLU CG C 35.7 0.1 1 194 . 20 GLU N N 121.5 0.1 1 195 . 21 THR H H 9.62 0.02 1 196 . 21 THR HA H 4.38 0.02 1 197 . 21 THR HB H 4.80 0.02 1 198 . 21 THR HG2 H 1.53 0.02 1 199 . 21 THR C C 175.9 0.1 1 200 . 21 THR CA C 65.9 0.1 1 201 . 21 THR CB C 70.0 0.1 1 202 . 21 THR CG2 C 22.8 0.1 1 203 . 21 THR N N 117.7 0.1 1 204 . 22 ARG H H 7.42 0.02 1 205 . 22 ARG HA H 3.99 0.02 1 206 . 22 ARG HB2 H 2.15 0.02 2 207 . 22 ARG HB3 H 2.28 0.02 2 208 . 22 ARG HE H 7.46 0.02 1 209 . 22 ARG C C 178.3 0.1 1 210 . 22 ARG CA C 60.6 0.1 1 211 . 22 ARG CB C 28.7 0.1 1 212 . 22 ARG N N 118.4 0.1 1 213 . 22 ARG NE N 83.0 0.1 1 214 . 23 ASP H H 8.31 0.02 1 215 . 23 ASP HA H 4.49 0.02 1 216 . 23 ASP HB2 H 2.72 0.02 2 217 . 23 ASP HB3 H 2.95 0.02 2 218 . 23 ASP C C 179.2 0.1 1 219 . 23 ASP CA C 57.8 0.1 1 220 . 23 ASP CB C 40.6 0.1 1 221 . 23 ASP N N 123.3 0.1 1 222 . 24 ILE H H 8.54 0.02 1 223 . 24 ILE HA H 3.55 0.02 1 224 . 24 ILE HB H 1.63 0.02 1 225 . 24 ILE HG12 H 0.60 0.02 2 226 . 24 ILE HG13 H 1.62 0.02 2 227 . 24 ILE HG2 H 0.40 0.02 1 228 . 24 ILE HD1 H 0.02 0.02 1 229 . 24 ILE C C 178.5 0.1 1 230 . 24 ILE CA C 65.8 0.1 1 231 . 24 ILE CB C 38.1 0.1 1 232 . 24 ILE CG1 C 29.1 0.1 1 233 . 24 ILE CG2 C 18.1 0.1 1 234 . 24 ILE CD1 C 13.6 0.1 1 235 . 24 ILE N N 122.7 0.1 1 236 . 25 ILE H H 7.89 0.02 1 237 . 25 ILE HA H 3.51 0.02 1 238 . 25 ILE HB H 1.86 0.02 1 239 . 25 ILE HG12 H 2.32 0.02 1 240 . 25 ILE HG13 H 2.32 0.02 1 241 . 25 ILE HG2 H 0.91 0.02 1 242 . 25 ILE HD1 H 0.82 0.02 1 243 . 25 ILE C C 176.8 0.1 1 244 . 25 ILE CA C 66.8 0.1 1 245 . 25 ILE CB C 39.1 0.1 1 246 . 25 ILE CG1 C 29.7 0.1 1 247 . 25 ILE CG2 C 16.3 0.1 1 248 . 25 ILE CD1 C 14.4 0.1 1 249 . 25 ILE N N 118.5 0.1 1 250 . 26 GLN H H 8.14 0.02 1 251 . 26 GLN HA H 4.01 0.02 1 252 . 26 GLN HB2 H 2.17 0.02 2 253 . 26 GLN HB3 H 2.29 0.02 2 254 . 26 GLN HG2 H 2.48 0.02 1 255 . 26 GLN HG3 H 2.48 0.02 1 256 . 26 GLN HE21 H 6.85 0.02 2 257 . 26 GLN HE22 H 7.77 0.02 2 258 . 26 GLN C C 178.0 0.1 1 259 . 26 GLN CA C 59.2 0.1 1 260 . 26 GLN CB C 28.3 0.1 1 261 . 26 GLN CG C 33.6 0.1 1 262 . 26 GLN N N 116.9 0.1 1 263 . 26 GLN NE2 N 111.8 0.1 1 264 . 27 ALA H H 7.87 0.02 1 265 . 27 ALA HA H 4.17 0.02 1 266 . 27 ALA HB H 1.51 0.02 1 267 . 27 ALA C C 180.5 0.1 1 268 . 27 ALA CA C 55.2 0.1 1 269 . 27 ALA CB C 18.2 0.1 1 270 . 27 ALA N N 121.1 0.1 1 271 . 28 LEU H H 8.07 0.02 1 272 . 28 LEU HA H 4.03 0.02 1 273 . 28 LEU HB2 H 1.30 0.02 2 274 . 28 LEU HB3 H 1.97 0.02 2 275 . 28 LEU HG H 1.70 0.02 2 276 . 28 LEU HD1 H 0.71 0.02 1 277 . 28 LEU HD2 H 0.80 0.02 1 278 . 28 LEU C C 180.1 0.1 1 279 . 28 LEU CA C 58.5 0.1 1 280 . 28 LEU CB C 42.1 0.1 1 281 . 28 LEU CG C 27.7 0.1 1 282 . 28 LEU CD1 C 26.8 0.1 1 283 . 28 LEU CD2 C 23.6 0.1 1 284 . 28 LEU N N 119.8 0.1 1 285 . 29 LEU H H 8.39 0.02 1 286 . 29 LEU HA H 4.10 0.02 1 287 . 29 LEU HB2 H 1.51 0.02 2 288 . 29 LEU HB3 H 2.01 0.02 2 289 . 29 LEU HG H 1.94 0.02 1 290 . 29 LEU HD1 H 0.82 0.02 2 291 . 29 LEU HD2 H 0.93 0.02 2 292 . 29 LEU C C 182.5 0.1 1 293 . 29 LEU CA C 57.9 0.1 1 294 . 29 LEU CB C 41.0 0.1 1 295 . 29 LEU CG C 26.5 0.1 1 296 . 29 LEU CD1 C 22.5 0.1 2 297 . 29 LEU CD2 C 25.9 0.1 2 298 . 29 LEU N N 119.3 0.1 1 299 . 30 GLU H H 8.76 0.02 1 300 . 30 GLU HA H 4.13 0.02 1 301 . 30 GLU HB2 H 2.18 0.02 2 302 . 30 GLU HB3 H 2.25 0.02 2 303 . 30 GLU HG2 H 2.41 0.02 2 304 . 30 GLU HG3 H 2.55 0.02 2 305 . 30 GLU C C 177.8 0.1 1 306 . 30 GLU CA C 59.4 0.1 1 307 . 30 GLU CB C 29.4 0.1 1 308 . 30 GLU CG C 36.7 0.1 1 309 . 30 GLU N N 122.7 0.1 1 310 . 31 ASP H H 7.70 0.02 1 311 . 31 ASP HA H 4.90 0.02 1 312 . 31 ASP HB2 H 2.93 0.02 2 313 . 31 ASP HB3 H 2.99 0.02 2 314 . 31 ASP C C 176.7 0.1 1 315 . 31 ASP CA C 54.7 0.1 1 316 . 31 ASP CB C 41.6 0.1 1 317 . 31 ASP N N 117.9 0.1 1 318 . 32 GLY H H 7.83 0.02 1 319 . 32 GLY HA2 H 3.85 0.02 1 320 . 32 GLY HA3 H 4.40 0.02 1 321 . 32 GLY C C 174.6 0.1 1 322 . 32 GLY CA C 45.7 0.1 1 323 . 32 GLY N N 106.1 0.1 1 324 . 33 SER H H 7.95 0.02 1 325 . 33 SER HA H 3.88 0.02 1 326 . 33 SER HB2 H 3.38 0.02 2 327 . 33 SER HB3 H 3.65 0.02 2 328 . 33 SER C C 174.0 0.1 1 329 . 33 SER CA C 60.0 0.1 1 330 . 33 SER CB C 63.8 0.1 1 331 . 33 SER N N 116.8 0.1 1 332 . 34 ASP H H 7.93 0.02 1 333 . 34 ASP HB2 H 2.77 0.02 2 334 . 34 ASP HB3 H 3.04 0.02 2 335 . 34 ASP CB C 42.1 0.1 1 336 . 34 ASP N N 123.3 0.1 1 337 . 35 PRO HA H 4.45 0.02 1 338 . 35 PRO HB2 H 2.12 0.02 2 339 . 35 PRO HB3 H 2.36 0.02 2 340 . 35 PRO HG2 H 2.06 0.02 2 341 . 35 PRO HG3 H 2.15 0.02 2 342 . 35 PRO HD2 H 4.12 0.02 1 343 . 35 PRO HD3 H 4.12 0.02 1 344 . 35 PRO C C 177.4 0.1 1 345 . 35 PRO CA C 64.8 0.1 1 346 . 35 PRO CB C 32.5 0.1 1 347 . 35 PRO CG C 27.0 0.1 1 348 . 35 PRO CD C 51.6 0.1 1 349 . 36 ASP H H 8.59 0.02 1 350 . 36 ASP HA H 4.93 0.02 1 351 . 36 ASP HB2 H 2.61 0.02 2 352 . 36 ASP HB3 H 2.92 0.02 2 353 . 36 ASP C C 175.6 0.1 1 354 . 36 ASP CA C 54.5 0.1 1 355 . 36 ASP CB C 42.1 0.1 1 356 . 36 ASP N N 118.3 0.1 1 357 . 37 ALA H H 6.85 0.02 1 358 . 37 ALA HA H 4.28 0.02 1 359 . 37 ALA HB H 1.26 0.02 1 360 . 37 ALA C C 174.9 0.1 1 361 . 37 ALA CA C 51.8 0.1 1 362 . 37 ALA CB C 19.7 0.1 1 363 . 37 ALA N N 122.4 0.1 1 364 . 38 LEU H H 8.01 0.02 1 365 . 38 LEU HA H 4.52 0.02 1 366 . 38 LEU HB2 H 1.21 0.02 2 367 . 38 LEU HB3 H 1.56 0.02 2 368 . 38 LEU HG H 1.55 0.02 1 369 . 38 LEU HD1 H 0.78 0.02 2 370 . 38 LEU HD2 H 0.81 0.02 2 371 . 38 LEU C C 176.4 0.1 1 372 . 38 LEU CA C 54.3 0.1 1 373 . 38 LEU CB C 43.0 0.1 1 374 . 38 LEU CG C 27.0 0.1 1 375 . 38 LEU CD1 C 23.8 0.1 2 376 . 38 LEU CD2 C 24.5 0.1 2 377 . 38 LEU N N 118.6 0.1 1 378 . 39 TYR H H 8.81 0.02 1 379 . 39 TYR HA H 4.54 0.02 1 380 . 39 TYR HB2 H 2.73 0.02 2 381 . 39 TYR HB3 H 3.08 0.02 2 382 . 39 TYR HD1 H 7.38 0.02 1 383 . 39 TYR HD2 H 7.38 0.02 1 384 . 39 TYR HE1 H 6.80 0.02 1 385 . 39 TYR HE2 H 6.80 0.02 1 386 . 39 TYR C C 174.9 0.1 1 387 . 39 TYR CA C 57.9 0.1 1 388 . 39 TYR CB C 41.0 0.1 1 389 . 39 TYR CD1 C 134.0 0.1 1 390 . 39 TYR CD2 C 134.0 0.1 1 391 . 39 TYR CE1 C 118.0 0.1 1 392 . 39 TYR CE2 C 118.0 0.1 1 393 . 39 TYR N N 124.2 0.1 1 394 . 40 GLU H H 8.91 0.02 1 395 . 40 GLU HA H 4.42 0.02 1 396 . 40 GLU HB2 H 2.14 0.02 1 397 . 40 GLU HB3 H 2.14 0.02 1 398 . 40 GLU HG2 H 2.24 0.02 1 399 . 40 GLU HG3 H 2.24 0.02 1 400 . 40 GLU C C 175.1 0.1 1 401 . 40 GLU CA C 56.1 0.1 1 402 . 40 GLU CB C 29.5 0.1 1 403 . 40 GLU CG C 36.5 0.1 1 404 . 40 GLU N N 120.4 0.1 1 405 . 41 ILE H H 9.00 0.02 1 406 . 41 ILE HA H 4.10 0.02 1 407 . 41 ILE HB H 2.70 0.02 1 408 . 41 ILE HG12 H 0.91 0.02 2 409 . 41 ILE HG13 H 1.79 0.02 2 410 . 41 ILE HG2 H 0.09 0.02 1 411 . 41 ILE HD1 H 0.28 0.02 1 412 . 41 ILE C C 174.1 0.1 1 413 . 41 ILE CA C 59.6 0.1 1 414 . 41 ILE CB C 33.9 0.1 1 415 . 41 ILE CG1 C 26.8 0.1 1 416 . 41 ILE CG2 C 17.5 0.1 1 417 . 41 ILE CD1 C 8.8 0.1 1 418 . 41 ILE N N 132.2 0.1 1 419 . 42 GLU H H 8.90 0.02 1 420 . 42 GLU HA H 4.69 0.02 1 421 . 42 GLU HB2 H 1.97 0.02 2 422 . 42 GLU HB3 H 2.07 0.02 2 423 . 42 GLU HG2 H 2.31 0.02 1 424 . 42 GLU HG3 H 2.31 0.02 1 425 . 42 GLU C C 174.0 0.1 1 426 . 42 GLU CA C 55.1 0.1 1 427 . 42 GLU CB C 31.7 0.1 1 428 . 42 GLU CG C 36.7 0.1 1 429 . 42 GLU N N 127.9 0.1 1 430 . 43 HIS H H 8.99 0.02 1 431 . 43 HIS HA H 4.83 0.02 1 432 . 43 HIS HB2 H 2.96 0.02 2 433 . 43 HIS HB3 H 3.32 0.02 2 434 . 43 HIS HD2 H 7.22 0.02 1 435 . 43 HIS HE1 H 7.10 0.02 1 436 . 43 HIS C C 175.6 0.1 1 437 . 43 HIS CA C 55.6 0.1 1 438 . 43 HIS CB C 33.2 0.1 1 439 . 43 HIS CD2 C 119.0 0.1 1 440 . 43 HIS CE1 C 135.2 0.1 1 441 . 43 HIS N N 125.7 0.1 1 442 . 44 HIS H H 8.87 0.02 1 443 . 44 HIS HA H 5.28 0.02 1 444 . 44 HIS HB2 H 2.94 0.02 2 445 . 44 HIS HB3 H 2.99 0.02 2 446 . 44 HIS HD2 H 7.27 0.02 1 447 . 44 HIS HE1 H 8.51 0.02 1 448 . 44 HIS C C 172.4 0.1 1 449 . 44 HIS CA C 54.3 0.1 1 450 . 44 HIS CB C 30.5 0.1 1 451 . 44 HIS CD2 C 120.6 0.1 1 452 . 44 HIS CE1 C 136.0 0.1 1 453 . 44 HIS N N 119.9 0.1 1 454 . 45 LEU H H 8.32 0.02 1 455 . 45 LEU HA H 5.30 0.02 1 456 . 45 LEU HB2 H 0.63 0.02 2 457 . 45 LEU HB3 H 1.16 0.02 2 458 . 45 LEU HG H 1.69 0.02 1 459 . 45 LEU HD1 H 0.64 0.02 2 460 . 45 LEU HD2 H 0.81 0.02 2 461 . 45 LEU C C 175.2 0.1 1 462 . 45 LEU CA C 54.8 0.1 1 463 . 45 LEU CB C 43.9 0.1 1 464 . 45 LEU CG C 29.8 0.1 1 465 . 45 LEU CD1 C 25.5 0.1 2 466 . 45 LEU CD2 C 26.6 0.1 2 467 . 45 LEU N N 124.8 0.1 1 468 . 46 PHE H H 8.89 0.02 1 469 . 46 PHE HA H 5.74 0.02 1 470 . 46 PHE HB2 H 2.93 0.02 2 471 . 46 PHE HB3 H 3.04 0.02 2 472 . 46 PHE HD1 H 6.94 0.02 1 473 . 46 PHE HD2 H 6.94 0.02 1 474 . 46 PHE HE1 H 7.20 0.02 1 475 . 46 PHE HE2 H 7.20 0.02 1 476 . 46 PHE HZ H 7.18 0.02 1 477 . 46 PHE C C 174.2 0.1 1 478 . 46 PHE CA C 56.0 0.1 1 479 . 46 PHE CB C 44.0 0.1 1 480 . 46 PHE CD1 C 131.6 0.1 1 481 . 46 PHE CD2 C 131.6 0.1 1 482 . 46 PHE CE1 C 131.4 0.1 1 483 . 46 PHE CE2 C 131.4 0.1 1 484 . 46 PHE CZ C 129.9 0.1 1 485 . 46 PHE N N 116.2 0.1 1 486 . 47 ALA H H 9.22 0.02 1 487 . 47 ALA HA H 4.97 0.02 1 488 . 47 ALA HB H 1.63 0.02 1 489 . 47 ALA C C 176.0 0.1 1 490 . 47 ALA CA C 51.4 0.1 1 491 . 47 ALA CB C 25.1 0.1 1 492 . 47 ALA N N 118.7 0.1 1 493 . 48 GLU H H 9.06 0.02 1 494 . 48 GLU HA H 4.63 0.02 1 495 . 48 GLU HB2 H 2.15 0.02 2 496 . 48 GLU HB3 H 2.24 0.02 2 497 . 48 GLU HG2 H 2.42 0.02 1 498 . 48 GLU HG3 H 2.42 0.02 1 499 . 48 GLU C C 175.5 0.1 1 500 . 48 GLU CA C 57.4 0.1 1 501 . 48 GLU CB C 31.1 0.1 1 502 . 48 GLU CG C 36.7 0.1 1 503 . 48 GLU N N 117.2 0.1 1 504 . 49 ASP H H 7.27 0.02 1 505 . 49 ASP HA H 4.94 0.02 1 506 . 49 ASP HB2 H 2.78 0.02 2 507 . 49 ASP HB3 H 2.93 0.02 2 508 . 49 ASP C C 175.3 0.1 1 509 . 49 ASP CA C 53.2 0.1 1 510 . 49 ASP CB C 44.0 0.1 1 511 . 49 ASP N N 116.3 0.1 1 512 . 50 PHE H H 9.01 0.02 1 513 . 50 PHE HA H 4.04 0.02 1 514 . 50 PHE HB2 H 3.15 0.02 2 515 . 50 PHE HB3 H 3.19 0.02 2 516 . 50 PHE HD1 H 7.30 0.02 1 517 . 50 PHE HD2 H 7.30 0.02 1 518 . 50 PHE HE1 H 7.38 0.02 1 519 . 50 PHE HE2 H 7.38 0.02 1 520 . 50 PHE HZ H 7.06 0.02 1 521 . 50 PHE C C 176.3 0.1 1 522 . 50 PHE CA C 61.4 0.1 1 523 . 50 PHE CB C 39.5 0.1 1 524 . 50 PHE CD1 C 131.6 0.1 1 525 . 50 PHE CD2 C 131.6 0.1 1 526 . 50 PHE CE1 C 131.6 0.1 1 527 . 50 PHE CE2 C 131.6 0.1 1 528 . 50 PHE CZ C 131.1 0.1 1 529 . 50 PHE N N 124.3 0.1 1 530 . 51 ASP H H 8.35 0.02 1 531 . 51 ASP HA H 4.35 0.02 1 532 . 51 ASP HB2 H 2.72 0.02 2 533 . 51 ASP HB3 H 2.80 0.02 2 534 . 51 ASP C C 178.8 0.1 1 535 . 51 ASP CA C 57.7 0.1 1 536 . 51 ASP CB C 41.0 0.1 1 537 . 51 ASP N N 119.2 0.1 1 538 . 52 LYS H H 7.81 0.02 1 539 . 52 LYS HA H 4.02 0.02 1 540 . 52 LYS HB2 H 2.16 0.02 1 541 . 52 LYS HB3 H 2.16 0.02 1 542 . 52 LYS HG2 H 1.61 0.02 2 543 . 52 LYS HG3 H 1.82 0.02 2 544 . 52 LYS HD2 H 1.68 0.02 1 545 . 52 LYS HD3 H 1.68 0.02 1 546 . 52 LYS HE2 H 3.20 0.02 1 547 . 52 LYS HE3 H 3.20 0.02 1 548 . 52 LYS C C 178.0 0.1 1 549 . 52 LYS CA C 59.7 0.1 1 550 . 52 LYS CB C 33.2 0.1 1 551 . 52 LYS CG C 26.4 0.1 1 552 . 52 LYS CD C 30.0 0.1 1 553 . 52 LYS CE C 42.5 0.1 1 554 . 52 LYS N N 118.2 0.1 1 555 . 53 LEU H H 7.30 0.02 1 556 . 53 LEU HA H 3.69 0.02 1 557 . 53 LEU HB2 H 1.49 0.02 2 558 . 53 LEU HB3 H 1.70 0.02 2 559 . 53 LEU HG H 1.62 0.02 1 560 . 53 LEU HD1 H 0.71 0.02 2 561 . 53 LEU HD2 H 0.73 0.02 2 562 . 53 LEU C C 177.9 0.1 1 563 . 53 LEU CA C 58.7 0.1 1 564 . 53 LEU CB C 42.1 0.1 1 565 . 53 LEU CG C 25.0 0.1 1 566 . 53 LEU CD1 C 25.0 0.1 2 567 . 53 LEU CD2 C 25.9 0.1 2 568 . 53 LEU N N 118.4 0.1 1 569 . 54 GLU H H 8.25 0.02 1 570 . 54 GLU HA H 3.66 0.02 1 571 . 54 GLU HB2 H 1.85 0.02 1 572 . 54 GLU HB3 H 1.85 0.02 1 573 . 54 GLU HG2 H 2.03 0.02 2 574 . 54 GLU HG3 H 2.20 0.02 2 575 . 54 GLU C C 178.9 0.1 1 576 . 54 GLU CA C 59.6 0.1 1 577 . 54 GLU CB C 29.5 0.1 1 578 . 54 GLU CG C 36.4 0.1 1 579 . 54 GLU N N 117.7 0.1 1 580 . 55 LYS H H 7.40 0.02 1 581 . 55 LYS HA H 3.82 0.02 1 582 . 55 LYS HB2 H 1.58 0.02 1 583 . 55 LYS HB3 H 1.58 0.02 1 584 . 55 LYS HG2 H 1.42 0.02 1 585 . 55 LYS HG3 H 1.42 0.02 1 586 . 55 LYS HD2 H 1.66 0.02 1 587 . 55 LYS HD3 H 1.66 0.02 1 588 . 55 LYS HE2 H 3.05 0.02 1 589 . 55 LYS HE3 H 3.05 0.02 1 590 . 55 LYS C C 179.0 0.1 1 591 . 55 LYS CA C 59.3 0.1 1 592 . 55 LYS CB C 32.7 0.1 1 593 . 55 LYS CG C 26.1 0.1 1 594 . 55 LYS CD C 26.3 0.1 1 595 . 55 LYS N N 117.3 0.1 1 596 . 56 ALA H H 7.65 0.02 1 597 . 56 ALA HA H 3.29 0.02 1 598 . 56 ALA HB H 1.27 0.02 1 599 . 56 ALA C C 178.6 0.1 1 600 . 56 ALA CA C 54.6 0.1 1 601 . 56 ALA CB C 18.9 0.1 1 602 . 56 ALA N N 121.4 0.1 1 603 . 57 ALA H H 8.40 0.02 1 604 . 57 ALA HA H 3.47 0.02 1 605 . 57 ALA HB H 0.88 0.02 1 606 . 57 ALA C C 179.8 0.1 1 607 . 57 ALA CA C 55.5 0.1 1 608 . 57 ALA CB C 17.6 0.1 1 609 . 57 ALA N N 120.7 0.1 1 610 . 58 VAL H H 7.44 0.02 1 611 . 58 VAL HA H 3.73 0.02 1 612 . 58 VAL HB H 2.15 0.02 1 613 . 58 VAL HG1 H 1.02 0.02 2 614 . 58 VAL HG2 H 1.10 0.02 2 615 . 58 VAL C C 178.6 0.1 1 616 . 58 VAL CA C 66.6 0.1 1 617 . 58 VAL CB C 32.0 0.1 1 618 . 58 VAL CG1 C 21.4 0.1 2 619 . 58 VAL CG2 C 23.2 0.1 2 620 . 58 VAL N N 117.8 0.1 1 621 . 59 GLU H H 7.19 0.02 1 622 . 59 GLU HA H 4.16 0.02 1 623 . 59 GLU HB2 H 2.16 0.02 1 624 . 59 GLU HB3 H 2.16 0.02 1 625 . 59 GLU HG2 H 2.41 0.02 2 626 . 59 GLU HG3 H 2.52 0.02 2 627 . 59 GLU C C 179.0 0.1 1 628 . 59 GLU CA C 59.4 0.1 1 629 . 59 GLU CB C 29.3 0.1 1 630 . 59 GLU CG C 36.1 0.1 1 631 . 59 GLU N N 119.1 0.1 1 632 . 60 ALA H H 8.81 0.02 1 633 . 60 ALA HA H 4.16 0.02 1 634 . 60 ALA HB H 1.29 0.02 1 635 . 60 ALA C C 179.6 0.1 1 636 . 60 ALA CA C 55.5 0.1 1 637 . 60 ALA CB C 16.5 0.1 1 638 . 60 ALA N N 122.2 0.1 1 639 . 61 PHE H H 8.32 0.02 1 640 . 61 PHE HA H 5.26 0.02 1 641 . 61 PHE HB2 H 3.30 0.02 2 642 . 61 PHE HB3 H 3.39 0.02 2 643 . 61 PHE HD1 H 7.52 0.02 1 644 . 61 PHE HD2 H 7.52 0.02 1 645 . 61 PHE C C 180.7 0.1 1 646 . 61 PHE CA C 60.4 0.1 1 647 . 61 PHE CB C 39.2 0.1 1 648 . 61 PHE CD1 C 132.5 0.1 1 649 . 61 PHE CD2 C 132.5 0.1 1 650 . 61 PHE N N 120.6 0.1 1 651 . 62 LYS H H 8.13 0.02 1 652 . 62 LYS HA H 3.97 0.02 1 653 . 62 LYS HB2 H 2.05 0.02 2 654 . 62 LYS HB3 H 2.13 0.02 2 655 . 62 LYS HG2 H 1.78 0.02 1 656 . 62 LYS HG3 H 1.78 0.02 1 657 . 62 LYS HD2 H 1.60 0.02 2 658 . 62 LYS HD3 H 1.89 0.02 2 659 . 62 LYS HE2 H 3.02 0.02 1 660 . 62 LYS HE3 H 3.02 0.02 1 661 . 62 LYS C C 178.3 0.1 1 662 . 62 LYS CA C 59.7 0.1 1 663 . 62 LYS CB C 32.4 0.1 1 664 . 62 LYS CG C 26.3 0.1 1 665 . 62 LYS CD C 29.9 0.1 1 666 . 62 LYS CE C 42.3 0.1 1 667 . 62 LYS N N 121.7 0.1 1 668 . 63 MET H H 7.75 0.02 1 669 . 63 MET HA H 4.41 0.02 1 670 . 63 MET HB2 H 2.39 0.02 2 671 . 63 MET HB3 H 2.56 0.02 2 672 . 63 MET HG2 H 2.75 0.02 2 673 . 63 MET HG3 H 3.01 0.02 2 674 . 63 MET HE H 2.17 0.02 1 675 . 63 MET C C 175.4 0.1 1 676 . 63 MET CA C 57.0 0.1 1 677 . 63 MET CB C 34.5 0.1 1 678 . 63 MET CG C 32.5 0.1 1 679 . 63 MET CE C 17.9 0.1 1 680 . 63 MET N N 115.8 0.1 1 681 . 64 GLY H H 7.81 0.02 1 682 . 64 GLY HA2 H 3.60 0.02 1 683 . 64 GLY HA3 H 4.17 0.02 1 684 . 64 GLY C C 174.5 0.1 1 685 . 64 GLY CA C 45.0 0.1 1 686 . 64 GLY N N 105.3 0.1 1 687 . 65 PHE H H 7.77 0.02 1 688 . 65 PHE HA H 4.57 0.02 1 689 . 65 PHE HB2 H 2.61 0.02 2 690 . 65 PHE HB3 H 2.90 0.02 2 691 . 65 PHE HD1 H 7.27 0.02 1 692 . 65 PHE HD2 H 7.27 0.02 1 693 . 65 PHE HE1 H 7.08 0.02 1 694 . 65 PHE HE2 H 7.08 0.02 1 695 . 65 PHE HZ H 7.00 0.02 1 696 . 65 PHE C C 175.6 0.1 1 697 . 65 PHE CA C 58.5 0.1 1 698 . 65 PHE CB C 39.6 0.1 1 699 . 65 PHE CD1 C 132.1 0.1 1 700 . 65 PHE CD2 C 132.1 0.1 1 701 . 65 PHE CE1 C 129.2 0.1 1 702 . 65 PHE CE2 C 129.2 0.1 1 703 . 65 PHE CZ C 131.1 0.1 1 704 . 65 PHE N N 118.5 0.1 1 705 . 66 GLU H H 9.18 0.02 1 706 . 66 GLU HA H 4.72 0.02 1 707 . 66 GLU HB2 H 1.91 0.02 2 708 . 66 GLU HB3 H 2.13 0.02 2 709 . 66 GLU HG2 H 2.25 0.02 2 710 . 66 GLU HG3 H 2.34 0.02 2 711 . 66 GLU C C 176.4 0.1 1 712 . 66 GLU CA C 56.4 0.1 1 713 . 66 GLU CB C 30.0 0.1 1 714 . 66 GLU CG C 36.3 0.1 1 715 . 66 GLU N N 122.3 0.1 1 716 . 67 VAL H H 8.21 0.02 1 717 . 67 VAL HA H 5.13 0.02 1 718 . 67 VAL HB H 1.92 0.02 1 719 . 67 VAL HG1 H 0.87 0.02 2 720 . 67 VAL HG2 H 0.94 0.02 2 721 . 67 VAL C C 175.5 0.1 1 722 . 67 VAL CA C 61.8 0.1 1 723 . 67 VAL CB C 33.7 0.1 1 724 . 67 VAL CG1 C 21.9 0.1 2 725 . 67 VAL CG2 C 21.2 0.1 2 726 . 67 VAL N N 124.8 0.1 1 727 . 68 LEU H H 8.93 0.02 1 728 . 68 LEU HA H 4.73 0.02 1 729 . 68 LEU HB2 H 1.77 0.02 2 730 . 68 LEU HB3 H 1.86 0.02 2 731 . 68 LEU HG H 1.74 0.02 1 732 . 68 LEU HD1 H 0.96 0.02 2 733 . 68 LEU HD2 H 1.02 0.02 2 734 . 68 LEU CA C 54.2 0.1 1 735 . 68 LEU CB C 43.9 0.1 1 736 . 68 LEU CG C 27.4 0.1 1 737 . 68 LEU CD1 C 23.7 0.1 2 738 . 68 LEU CD2 C 25.2 0.1 2 739 . 68 LEU N N 129.4 0.1 1 740 . 69 GLU H H 8.44 0.02 1 741 . 69 GLU HA H 4.18 0.02 1 742 . 69 GLU HB2 H 2.06 0.02 1 743 . 69 GLU HB3 H 2.06 0.02 1 744 . 69 GLU HG2 H 2.42 0.02 1 745 . 69 GLU HG3 H 2.42 0.02 1 746 . 69 GLU C C 175.8 0.1 1 747 . 69 GLU CA C 57.5 0.1 1 748 . 69 GLU CB C 30.5 0.1 1 749 . 69 GLU CG C 36.5 0.1 1 750 . 69 GLU N N 121.3 0.1 1 751 . 70 ALA H H 8.32 0.02 1 752 . 70 ALA HA H 4.84 0.02 1 753 . 70 ALA HB H 1.36 0.02 1 754 . 70 ALA C C 176.8 0.1 1 755 . 70 ALA CA C 51.5 0.1 1 756 . 70 ALA CB C 21.1 0.1 1 757 . 70 ALA N N 127.3 0.1 1 758 . 71 GLU H H 8.63 0.02 1 759 . 71 GLU HA H 4.48 0.02 1 760 . 71 GLU HB2 H 1.94 0.02 2 761 . 71 GLU HB3 H 2.05 0.02 2 762 . 71 GLU HG2 H 2.33 0.02 1 763 . 71 GLU HG3 H 2.33 0.02 1 764 . 71 GLU C C 175.3 0.1 1 765 . 71 GLU CA C 55.9 0.1 1 766 . 71 GLU CB C 32.2 0.1 1 767 . 71 GLU CG C 36.3 0.1 1 768 . 71 GLU N N 120.3 0.1 1 769 . 72 GLU H H 8.59 0.02 1 770 . 72 GLU HA H 4.79 0.02 1 771 . 72 GLU HB2 H 2.05 0.02 2 772 . 72 GLU HB3 H 2.09 0.02 2 773 . 72 GLU HG2 H 2.32 0.02 1 774 . 72 GLU HG3 H 2.32 0.02 1 775 . 72 GLU C C 176.0 0.1 1 776 . 72 GLU CA C 56.5 0.1 1 777 . 72 GLU CB C 31.4 0.1 1 778 . 72 GLU CG C 36.8 0.1 1 779 . 72 GLU N N 122.5 0.1 1 780 . 73 THR H H 8.85 0.02 1 781 . 73 THR HA H 4.73 0.02 1 782 . 73 THR HB H 4.08 0.02 1 783 . 73 THR HG2 H 1.03 0.02 1 784 . 73 THR C C 172.6 0.1 1 785 . 73 THR CA C 59.8 0.1 1 786 . 73 THR CB C 70.7 0.1 1 787 . 73 THR CG2 C 20.5 0.1 1 788 . 73 THR N N 118.3 0.1 1 789 . 74 GLU H H 8.37 0.02 1 790 . 74 GLU HA H 5.34 0.02 1 791 . 74 GLU HB2 H 1.80 0.02 2 792 . 74 GLU HB3 H 1.96 0.02 2 793 . 74 GLU HG2 H 2.09 0.02 2 794 . 74 GLU HG3 H 2.21 0.02 2 795 . 74 GLU C C 176.2 0.1 1 796 . 74 GLU CA C 54.6 0.1 1 797 . 74 GLU CB C 33.7 0.1 1 798 . 74 GLU CG C 36.2 0.1 1 799 . 74 GLU N N 121.5 0.1 1 800 . 75 ASP H H 8.44 0.02 1 801 . 75 ASP HA H 4.70 0.02 1 802 . 75 ASP HB2 H 2.63 0.02 2 803 . 75 ASP HB3 H 3.31 0.02 2 804 . 75 ASP C C 178.0 0.1 1 805 . 75 ASP CA C 52.3 0.1 1 806 . 75 ASP CB C 41.5 0.1 1 807 . 75 ASP N N 122.5 0.1 1 808 . 76 GLU H H 8.76 0.02 1 809 . 76 GLU HA H 4.10 0.02 1 810 . 76 GLU HB2 H 2.02 0.02 2 811 . 76 GLU HB3 H 2.06 0.02 2 812 . 76 GLU HG2 H 2.32 0.02 1 813 . 76 GLU HG3 H 2.32 0.02 1 814 . 76 GLU C C 176.6 0.1 1 815 . 76 GLU CA C 58.9 0.1 1 816 . 76 GLU CB C 29.4 0.1 1 817 . 76 GLU CG C 36.2 0.1 1 818 . 76 GLU N N 117.4 0.1 1 819 . 77 ASP H H 7.98 0.02 1 820 . 77 ASP HA H 4.85 0.02 1 821 . 77 ASP HB2 H 2.54 0.02 1 822 . 77 ASP HB3 H 2.89 0.02 1 823 . 77 ASP C C 176.1 0.1 1 824 . 77 ASP CA C 54.2 0.1 1 825 . 77 ASP CB C 42.5 0.1 1 826 . 77 ASP N N 118.2 0.1 1 827 . 78 GLY H H 8.04 0.02 1 828 . 78 GLY HA2 H 3.75 0.02 2 829 . 78 GLY HA3 H 4.21 0.02 2 830 . 78 GLY C C 174.5 0.1 1 831 . 78 GLY CA C 45.4 0.1 1 832 . 78 GLY N N 108.3 0.1 1 833 . 79 ASN H H 8.68 0.02 1 834 . 79 ASN HA H 4.69 0.02 1 835 . 79 ASN HB2 H 2.66 0.02 2 836 . 79 ASN HB3 H 2.87 0.02 2 837 . 79 ASN C C 174.7 0.1 1 838 . 79 ASN CA C 53.4 0.1 1 839 . 79 ASN CB C 38.7 0.1 1 840 . 79 ASN N N 120.5 0.1 1 841 . 80 LYS H H 8.63 0.02 1 842 . 80 LYS HA H 4.66 0.02 1 843 . 80 LYS HB2 H 1.81 0.02 2 844 . 80 LYS HB3 H 1.91 0.02 2 845 . 80 LYS HG2 H 1.46 0.02 2 846 . 80 LYS HG3 H 1.57 0.02 2 847 . 80 LYS HD2 H 1.74 0.02 1 848 . 80 LYS HD3 H 1.74 0.02 1 849 . 80 LYS HE2 H 3.03 0.02 1 850 . 80 LYS HE3 H 3.03 0.02 1 851 . 80 LYS C C 175.8 0.1 1 852 . 80 LYS CA C 56.6 0.1 1 853 . 80 LYS CB C 33.1 0.1 1 854 . 80 LYS CG C 25.1 0.1 1 855 . 80 LYS CD C 29.1 0.1 1 856 . 80 LYS CE C 42.4 0.1 1 857 . 80 LYS N N 122.7 0.1 1 858 . 81 LEU H H 8.59 0.02 1 859 . 81 LEU HA H 4.72 0.02 1 860 . 81 LEU HB2 H 1.36 0.02 2 861 . 81 LEU HB3 H 1.44 0.02 2 862 . 81 LEU HG H 1.50 0.02 1 863 . 81 LEU HD1 H 0.57 0.02 2 864 . 81 LEU HD2 H 0.75 0.02 2 865 . 81 LEU C C 174.7 0.1 1 866 . 81 LEU CA C 54.1 0.1 1 867 . 81 LEU CB C 45.6 0.1 1 868 . 81 LEU CG C 27.0 0.1 1 869 . 81 LEU CD1 C 25.2 0.1 2 870 . 81 LEU CD2 C 24.0 0.1 2 871 . 81 LEU N N 125.2 0.1 1 872 . 82 LEU H H 8.62 0.02 1 873 . 82 LEU HA H 4.96 0.02 1 874 . 82 LEU HB2 H 1.49 0.02 2 875 . 82 LEU HB3 H 1.52 0.02 2 876 . 82 LEU HG H 1.63 0.02 1 877 . 82 LEU HD1 H 0.74 0.02 2 878 . 82 LEU HD2 H 0.87 0.02 2 879 . 82 LEU C C 175.8 0.1 1 880 . 82 LEU CA C 53.7 0.1 1 881 . 82 LEU CB C 44.0 0.1 1 882 . 82 LEU CG C 27.6 0.1 1 883 . 82 LEU CD1 C 25.0 0.1 2 884 . 82 LEU CD2 C 23.8 0.1 2 885 . 82 LEU N N 122.7 0.1 1 886 . 83 CYS H H 8.76 0.02 1 887 . 83 CYS HA H 5.41 0.02 1 888 . 83 CYS HB2 H 2.63 0.02 2 889 . 83 CYS HB3 H 2.75 0.02 2 890 . 83 CYS C C 174.2 0.1 1 891 . 83 CYS CA C 56.0 0.1 1 892 . 83 CYS CB C 31.7 0.1 1 893 . 83 CYS N N 118.2 0.1 1 894 . 84 PHE H H 8.77 0.02 1 895 . 84 PHE HA H 5.15 0.02 1 896 . 84 PHE HB2 H 2.89 0.02 2 897 . 84 PHE HB3 H 3.13 0.02 2 898 . 84 PHE HD1 H 7.04 0.02 1 899 . 84 PHE HD2 H 7.04 0.02 1 900 . 84 PHE HE1 H 6.91 0.02 1 901 . 84 PHE HE2 H 6.91 0.02 1 902 . 84 PHE HZ H 6.68 0.02 1 903 . 84 PHE C C 171.4 0.1 1 904 . 84 PHE CA C 56.5 0.1 1 905 . 84 PHE CB C 42.0 0.1 1 906 . 84 PHE CD1 C 132.7 0.1 1 907 . 84 PHE CD2 C 132.7 0.1 1 908 . 84 PHE CE1 C 130.1 0.1 1 909 . 84 PHE CE2 C 130.1 0.1 1 910 . 84 PHE CZ C 127.9 0.1 1 911 . 84 PHE N N 119.4 0.1 1 912 . 85 ASP H H 8.42 0.02 1 913 . 85 ASP HA H 6.02 0.02 1 914 . 85 ASP HB2 H 2.46 0.02 2 915 . 85 ASP HB3 H 2.66 0.02 2 916 . 85 ASP C C 174.9 0.1 1 917 . 85 ASP CA C 52.1 0.1 1 918 . 85 ASP CB C 43.5 0.1 1 919 . 85 ASP N N 120.1 0.1 1 920 . 86 ALA H H 9.05 0.02 1 921 . 86 ALA HA H 5.62 0.02 1 922 . 86 ALA HB H 0.99 0.02 1 923 . 86 ALA C C 176.7 0.1 1 924 . 86 ALA CA C 49.8 0.1 1 925 . 86 ALA CB C 20.8 0.1 1 926 . 86 ALA N N 125.9 0.1 1 927 . 87 THR H H 9.79 0.02 1 928 . 87 THR HA H 6.36 0.02 1 929 . 87 THR HB H 4.25 0.02 1 930 . 87 THR HG2 H 1.24 0.02 1 931 . 87 THR C C 174.6 0.1 1 932 . 87 THR CA C 60.5 0.1 1 933 . 87 THR CB C 71.6 0.1 1 934 . 87 THR CG2 C 22.0 0.1 1 935 . 87 THR N N 117.5 0.1 1 936 . 88 MET H H 8.92 0.02 1 937 . 88 MET HA H 4.66 0.02 1 938 . 88 MET HB2 H 1.93 0.02 1 939 . 88 MET HB3 H 1.93 0.02 1 940 . 88 MET HG2 H 2.31 0.02 2 941 . 88 MET HG3 H 2.40 0.02 2 942 . 88 MET HE H 1.08 0.02 1 943 . 88 MET C C 174.3 0.1 1 944 . 88 MET CA C 55.6 0.1 1 945 . 88 MET CB C 37.2 0.1 1 946 . 88 MET CG C 32.5 0.1 1 947 . 88 MET CE C 15.6 0.1 1 948 . 88 MET N N 124.0 0.1 1 949 . 89 GLN H H 8.71 0.02 1 950 . 89 GLN HA H 5.37 0.02 1 951 . 89 GLN HB2 H 1.92 0.02 2 952 . 89 GLN HB3 H 2.04 0.02 2 953 . 89 GLN HG2 H 2.13 0.02 2 954 . 89 GLN HG3 H 2.35 0.02 2 955 . 89 GLN HE21 H 6.83 0.02 2 956 . 89 GLN HE22 H 7.86 0.02 2 957 . 89 GLN C C 176.4 0.1 1 958 . 89 GLN CA C 55.4 0.1 1 959 . 89 GLN CB C 29.9 0.1 1 960 . 89 GLN CG C 34.9 0.1 1 961 . 89 GLN N N 125.9 0.1 1 962 . 89 GLN NE2 N 112.3 0.1 1 963 . 90 SER H H 9.43 0.02 1 964 . 90 SER HA H 4.61 0.02 1 965 . 90 SER HB2 H 3.39 0.02 2 966 . 90 SER HB3 H 3.57 0.02 2 967 . 90 SER HG H 5.05 0.02 1 968 . 90 SER C C 173.3 0.1 1 969 . 90 SER CA C 58.3 0.1 1 970 . 90 SER CB C 66.7 0.1 1 971 . 90 SER N N 118.1 0.1 1 972 . 91 ALA H H 8.16 0.02 1 973 . 91 ALA HA H 4.80 0.02 1 974 . 91 ALA HB H 1.45 0.02 1 975 . 91 ALA C C 178.1 0.1 1 976 . 91 ALA CA C 52.6 0.1 1 977 . 91 ALA CB C 19.3 0.1 1 978 . 91 ALA N N 126.0 0.1 1 979 . 92 LEU H H 9.34 0.02 1 980 . 92 LEU HA H 4.01 0.02 1 981 . 92 LEU HB2 H 1.15 0.02 2 982 . 92 LEU HB3 H 1.79 0.02 2 983 . 92 LEU HG H 1.25 0.02 1 984 . 92 LEU HD1 H 0.21 0.02 2 985 . 92 LEU HD2 H 0.53 0.02 2 986 . 92 LEU C C 173.9 0.1 1 987 . 92 LEU CA C 53.5 0.1 1 988 . 92 LEU CB C 39.5 0.1 1 989 . 92 LEU CG C 26.8 0.1 1 990 . 92 LEU CD1 C 22.7 0.1 2 991 . 92 LEU CD2 C 24.8 0.1 2 992 . 92 LEU N N 124.7 0.1 1 993 . 93 ASP H H 7.31 0.02 1 994 . 93 ASP HA H 4.78 0.02 1 995 . 93 ASP HB2 H 2.45 0.02 2 996 . 93 ASP HB3 H 2.53 0.02 2 997 . 93 ASP C C 176.1 0.1 1 998 . 93 ASP CA C 52.5 0.1 1 999 . 93 ASP CB C 44.1 0.1 1 1000 . 93 ASP N N 124.7 0.1 1 1001 . 94 ALA H H 9.31 0.02 1 1002 . 94 ALA HA H 3.63 0.02 1 1003 . 94 ALA HB H 1.44 0.02 1 1004 . 94 ALA C C 177.3 0.1 1 1005 . 94 ALA CA C 56.2 0.1 1 1006 . 94 ALA CB C 18.3 0.1 1 1007 . 94 ALA N N 129.3 0.1 1 1008 . 95 LYS H H 8.05 0.02 1 1009 . 95 LYS HA H 4.13 0.02 1 1010 . 95 LYS HB2 H 1.89 0.02 1 1011 . 95 LYS HB3 H 1.89 0.02 1 1012 . 95 LYS HG2 H 1.43 0.02 2 1013 . 95 LYS HG3 H 1.57 0.02 2 1014 . 95 LYS HD2 H 1.76 0.02 1 1015 . 95 LYS HD3 H 1.76 0.02 1 1016 . 95 LYS HE2 H 3.04 0.02 1 1017 . 95 LYS HE3 H 3.04 0.02 1 1018 . 95 LYS C C 179.9 0.1 1 1019 . 95 LYS CA C 59.6 0.1 1 1020 . 95 LYS CB C 31.9 0.1 1 1021 . 95 LYS CG C 25.4 0.1 1 1022 . 95 LYS CD C 29.4 0.1 1 1023 . 95 LYS CE C 42.1 0.1 1 1024 . 95 LYS N N 114.4 0.1 1 1025 . 96 LEU H H 7.41 0.02 1 1026 . 96 LEU HA H 4.21 0.02 1 1027 . 96 LEU HB2 H 1.61 0.02 2 1028 . 96 LEU HB3 H 1.89 0.02 2 1029 . 96 LEU HG H 1.68 0.02 1 1030 . 96 LEU HD1 H 0.91 0.02 2 1031 . 96 LEU HD2 H 1.02 0.02 2 1032 . 96 LEU C C 180.5 0.1 1 1033 . 96 LEU CA C 57.2 0.1 1 1034 . 96 LEU CB C 41.5 0.1 1 1035 . 96 LEU CG C 27.0 0.1 1 1036 . 96 LEU CD1 C 22.5 0.1 2 1037 . 96 LEU CD2 C 26.3 0.1 2 1038 . 96 LEU N N 118.3 0.1 1 1039 . 97 ILE H H 8.06 0.02 1 1040 . 97 ILE HA H 3.40 0.02 1 1041 . 97 ILE HB H 1.46 0.02 1 1042 . 97 ILE HG12 H 0.54 0.02 2 1043 . 97 ILE HG13 H 1.51 0.02 2 1044 . 97 ILE HG2 H 0.21 0.02 1 1045 . 97 ILE HD1 H 0.31 0.02 1 1046 . 97 ILE C C 178.0 0.1 1 1047 . 97 ILE CA C 66.0 0.1 1 1048 . 97 ILE CB C 37.8 0.1 1 1049 . 97 ILE CG1 C 29.8 0.1 1 1050 . 97 ILE CG2 C 17.2 0.1 1 1051 . 97 ILE CD1 C 13.5 0.1 1 1052 . 97 ILE N N 122.5 0.1 1 1053 . 98 ASP H H 9.37 0.02 1 1054 . 98 ASP HA H 4.45 0.02 1 1055 . 98 ASP HB2 H 2.70 0.02 2 1056 . 98 ASP HB3 H 3.04 0.02 2 1057 . 98 ASP C C 179.7 0.1 1 1058 . 98 ASP CA C 57.3 0.1 1 1059 . 98 ASP CB C 40.5 0.1 1 1060 . 98 ASP N N 121.4 0.1 1 1061 . 99 GLU H H 7.23 0.02 1 1062 . 99 GLU HA H 4.15 0.02 1 1063 . 99 GLU HB2 H 2.27 0.02 1 1064 . 99 GLU HB3 H 2.27 0.02 1 1065 . 99 GLU HG2 H 2.14 0.02 2 1066 . 99 GLU HG3 H 2.68 0.02 2 1067 . 99 GLU C C 179.0 0.1 1 1068 . 99 GLU CA C 59.6 0.1 1 1069 . 99 GLU CB C 29.8 0.1 1 1070 . 99 GLU CG C 36.5 0.1 1 1071 . 99 GLU N N 118.1 0.1 1 1072 . 100 GLN H H 7.39 0.02 1 1073 . 100 GLN HA H 4.02 0.02 1 1074 . 100 GLN HB2 H 2.20 0.02 1 1075 . 100 GLN HB3 H 2.20 0.02 1 1076 . 100 GLN C C 177.8 0.1 1 1077 . 100 GLN CA C 60.0 0.1 1 1078 . 100 GLN CB C 29.4 0.1 1 1079 . 100 GLN N N 118.9 0.1 1 1080 . 101 VAL H H 8.49 0.02 1 1081 . 101 VAL HA H 3.11 0.02 1 1082 . 101 VAL HB H 2.17 0.02 1 1083 . 101 VAL HG1 H 0.85 0.02 1 1084 . 101 VAL HG2 H 1.43 0.02 1 1085 . 101 VAL C C 177.6 0.1 1 1086 . 101 VAL CA C 66.8 0.1 1 1087 . 101 VAL CB C 32.3 0.1 1 1088 . 101 VAL CG1 C 22.3 0.1 1 1089 . 101 VAL CG2 C 22.6 0.1 1 1090 . 101 VAL N N 117.8 0.1 1 1091 . 102 GLU H H 8.30 0.02 1 1092 . 102 GLU HA H 3.63 0.02 1 1093 . 102 GLU HB2 H 2.13 0.02 1 1094 . 102 GLU HB3 H 2.13 0.02 1 1095 . 102 GLU HG2 H 2.18 0.02 2 1096 . 102 GLU HG3 H 2.24 0.02 2 1097 . 102 GLU C C 179.0 0.1 1 1098 . 102 GLU CA C 60.5 0.1 1 1099 . 102 GLU CB C 29.4 0.1 1 1100 . 102 GLU CG C 36.5 0.1 1 1101 . 102 GLU N N 117.9 0.1 1 1102 . 103 LYS H H 7.40 0.02 1 1103 . 103 LYS HA H 4.09 0.02 1 1104 . 103 LYS HB2 H 2.09 0.02 1 1105 . 103 LYS HB3 H 2.09 0.02 1 1106 . 103 LYS HG2 H 1.64 0.02 2 1107 . 103 LYS HG3 H 1.93 0.02 2 1108 . 103 LYS HD2 H 1.68 0.02 2 1109 . 103 LYS HD3 H 1.74 0.02 2 1110 . 103 LYS HE2 H 3.04 0.02 1 1111 . 103 LYS HE3 H 3.04 0.02 1 1112 . 103 LYS C C 179.7 0.1 1 1113 . 103 LYS CA C 60.0 0.1 1 1114 . 103 LYS CB C 33.0 0.1 1 1115 . 103 LYS CG C 26.4 0.1 1 1116 . 103 LYS CD C 29.8 0.1 1 1117 . 103 LYS CE C 42.6 0.1 1 1118 . 103 LYS N N 116.7 0.1 1 1119 . 104 LEU H H 7.59 0.02 1 1120 . 104 LEU HA H 4.08 0.02 1 1121 . 104 LEU HB2 H 1.03 0.02 2 1122 . 104 LEU HB3 H 1.46 0.02 2 1123 . 104 LEU HG H 1.15 0.02 1 1124 . 104 LEU HD1 H -0.25 0.02 1 1125 . 104 LEU HD2 H 0.00 0.02 1 1126 . 104 LEU C C 179.5 0.1 1 1127 . 104 LEU CA C 57.3 0.1 1 1128 . 104 LEU CB C 42.4 0.1 1 1129 . 104 LEU CG C 26.4 0.1 1 1130 . 104 LEU CD1 C 26.2 0.1 1 1131 . 104 LEU CD2 C 21.5 0.1 1 1132 . 104 LEU N N 119.9 0.1 1 1133 . 105 VAL H H 9.22 0.02 1 1134 . 105 VAL HA H 3.53 0.02 1 1135 . 105 VAL HB H 1.87 0.02 1 1136 . 105 VAL HG1 H 0.58 0.02 2 1137 . 105 VAL HG2 H 0.98 0.02 2 1138 . 105 VAL C C 178.9 0.1 1 1139 . 105 VAL CA C 67.0 0.1 1 1140 . 105 VAL CB C 31.5 0.1 1 1141 . 105 VAL CG1 C 24.3 0.1 1 1142 . 105 VAL CG2 C 22.6 0.1 1 1143 . 105 VAL N N 122.3 0.1 1 1144 . 106 ASN H H 7.74 0.02 1 1145 . 106 ASN HA H 4.45 0.02 1 1146 . 106 ASN HB2 H 2.67 0.02 2 1147 . 106 ASN HB3 H 2.95 0.02 2 1148 . 106 ASN HD21 H 7.19 0.02 2 1149 . 106 ASN HD22 H 7.62 0.02 2 1150 . 106 ASN C C 177.9 0.1 1 1151 . 106 ASN CA C 57.2 0.1 1 1152 . 106 ASN CB C 39.1 0.1 1 1153 . 106 ASN N N 118.3 0.1 1 1154 . 106 ASN ND2 N 112.6 0.1 1 1155 . 107 LEU H H 7.83 0.02 1 1156 . 107 LEU HA H 4.25 0.02 1 1157 . 107 LEU HB2 H 1.78 0.02 2 1158 . 107 LEU HB3 H 2.12 0.02 2 1159 . 107 LEU HG H 1.78 0.02 1 1160 . 107 LEU HD1 H 1.13 0.02 1 1161 . 107 LEU HD2 H 0.95 0.02 1 1162 . 107 LEU C C 177.7 0.1 1 1163 . 107 LEU CA C 58.5 0.1 1 1164 . 107 LEU CB C 42.8 0.1 1 1165 . 107 LEU CG C 27.4 0.1 1 1166 . 107 LEU CD1 C 26.4 0.1 1 1167 . 107 LEU CD2 C 25.9 0.1 1 1168 . 107 LEU N N 122.8 0.1 1 1169 . 108 ALA H H 8.63 0.02 1 1170 . 108 ALA HA H 4.01 0.02 1 1171 . 108 ALA HB H 1.56 0.02 1 1172 . 108 ALA C C 179.5 0.1 1 1173 . 108 ALA CA C 55.1 0.1 1 1174 . 108 ALA CB C 17.8 0.1 1 1175 . 108 ALA N N 122.1 0.1 1 1176 . 109 GLU H H 7.93 0.02 1 1177 . 109 GLU HA H 4.27 0.02 1 1178 . 109 GLU HB2 H 2.13 0.02 2 1179 . 109 GLU HB3 H 2.20 0.02 2 1180 . 109 GLU HG2 H 2.36 0.02 1 1181 . 109 GLU HG3 H 2.36 0.02 1 1182 . 109 GLU C C 179.0 0.1 1 1183 . 109 GLU CA C 58.8 0.1 1 1184 . 109 GLU CB C 29.5 0.1 1 1185 . 109 GLU CG C 35.8 0.1 1 1186 . 109 GLU N N 117.5 0.1 1 1187 . 110 LYS H H 7.88 0.02 1 1188 . 110 LYS HA H 3.92 0.02 1 1189 . 110 LYS HB2 H 1.81 0.02 1 1190 . 110 LYS HB3 H 1.81 0.02 1 1191 . 110 LYS HG2 H 0.53 0.02 2 1192 . 110 LYS HG3 H 1.13 0.02 2 1193 . 110 LYS HD2 H 1.51 0.02 1 1194 . 110 LYS HD3 H 1.51 0.02 1 1195 . 110 LYS HE2 H 2.79 0.02 1 1196 . 110 LYS HE3 H 2.79 0.02 1 1197 . 110 LYS C C 178.2 0.1 1 1198 . 110 LYS CA C 59.2 0.1 1 1199 . 110 LYS CB C 32.7 0.1 1 1200 . 110 LYS CG C 24.5 0.1 1 1201 . 110 LYS CD C 29.9 0.1 1 1202 . 110 LYS CE C 42.3 0.1 1 1203 . 110 LYS N N 119.9 0.1 1 1204 . 111 PHE H H 7.84 0.02 1 1205 . 111 PHE HA H 4.61 0.02 1 1206 . 111 PHE HB2 H 2.54 0.02 2 1207 . 111 PHE HB3 H 3.58 0.02 2 1208 . 111 PHE HD1 H 7.46 0.02 1 1209 . 111 PHE HD2 H 7.46 0.02 1 1210 . 111 PHE HE1 H 7.33 0.02 1 1211 . 111 PHE HE2 H 7.33 0.02 1 1212 . 111 PHE HZ H 7.30 0.02 1 1213 . 111 PHE C C 173.4 0.1 1 1214 . 111 PHE CA C 59.0 0.1 1 1215 . 111 PHE CB C 40.1 0.1 1 1216 . 111 PHE CD1 C 131.4 0.1 1 1217 . 111 PHE CD2 C 131.4 0.1 1 1218 . 111 PHE CE1 C 131.2 0.1 1 1219 . 111 PHE CE2 C 131.2 0.1 1 1220 . 111 PHE CZ C 129.4 0.1 1 1221 . 111 PHE N N 113.6 0.1 1 1222 . 112 ASP H H 7.88 0.02 1 1223 . 112 ASP HA H 4.54 0.02 1 1224 . 112 ASP HB2 H 2.69 0.02 2 1225 . 112 ASP HB3 H 3.21 0.02 2 1226 . 112 ASP C C 175.4 0.1 1 1227 . 112 ASP CA C 55.6 0.1 1 1228 . 112 ASP CB C 39.7 0.1 1 1229 . 112 ASP N N 118.8 0.1 1 1230 . 113 ILE H H 8.51 0.02 1 1231 . 113 ILE HA H 4.97 0.02 1 1232 . 113 ILE HB H 2.39 0.02 1 1233 . 113 ILE HG12 H 1.14 0.02 2 1234 . 113 ILE HG13 H 1.40 0.02 2 1235 . 113 ILE HG2 H 0.94 0.02 1 1236 . 113 ILE HD1 H 0.81 0.02 1 1237 . 113 ILE C C 173.8 0.1 1 1238 . 113 ILE CA C 59.9 0.1 1 1239 . 113 ILE CB C 39.4 0.1 1 1240 . 113 ILE CG1 C 27.7 0.1 1 1241 . 113 ILE CG2 C 19.4 0.1 1 1242 . 113 ILE CD1 C 15.6 0.1 1 1243 . 113 ILE N N 112.8 0.1 1 1244 . 114 ILE H H 8.83 0.02 1 1245 . 114 ILE HA H 4.41 0.02 1 1246 . 114 ILE HB H 1.46 0.02 1 1247 . 114 ILE HG12 H 1.08 0.02 2 1248 . 114 ILE HG13 H 1.41 0.02 2 1249 . 114 ILE HG2 H 0.76 0.02 1 1250 . 114 ILE HD1 H 0.70 0.02 1 1251 . 114 ILE C C 175.4 0.1 1 1252 . 114 ILE CA C 60.6 0.1 1 1253 . 114 ILE CB C 40.3 0.1 1 1254 . 114 ILE CG1 C 27.8 0.1 1 1255 . 114 ILE CG2 C 13.1 0.1 1 1256 . 114 ILE CD1 C 18.0 0.1 1 1257 . 114 ILE N N 120.0 0.1 1 1258 . 115 TYR H H 8.87 0.02 1 1259 . 115 TYR HA H 4.61 0.02 1 1260 . 115 TYR HB2 H 2.62 0.02 2 1261 . 115 TYR HB3 H 3.02 0.02 2 1262 . 115 TYR HD1 H 6.86 0.02 1 1263 . 115 TYR HD2 H 6.86 0.02 1 1264 . 115 TYR HE1 H 6.85 0.02 1 1265 . 115 TYR HE2 H 6.85 0.02 1 1266 . 115 TYR C C 174.4 0.1 1 1267 . 115 TYR CA C 58.8 0.1 1 1268 . 115 TYR CB C 39.5 0.1 1 1269 . 115 TYR CD1 C 132.7 0.1 1 1270 . 115 TYR CD2 C 132.7 0.1 1 1271 . 115 TYR CE1 C 118.1 0.1 1 1272 . 115 TYR CE2 C 118.1 0.1 1 1273 . 115 TYR N N 127.0 0.1 1 1274 . 116 ASP H H 8.60 0.02 1 1275 . 116 ASP HA H 5.03 0.02 1 1276 . 116 ASP HB2 H 2.04 0.02 2 1277 . 116 ASP HB3 H 2.55 0.02 2 1278 . 116 ASP C C 175.0 0.1 1 1279 . 116 ASP CA C 53.9 0.1 1 1280 . 116 ASP CB C 45.0 0.1 1 1281 . 116 ASP N N 129.2 0.1 1 1282 . 117 GLY H H 5.65 0.02 1 1283 . 117 GLY HA2 H 3.78 0.02 2 1284 . 117 GLY HA3 H 4.32 0.02 2 1285 . 117 GLY C C 170.1 0.1 1 1286 . 117 GLY CA C 44.5 0.1 1 1287 . 117 GLY N N 104.8 0.1 1 1288 . 118 TRP H H 8.06 0.02 1 1289 . 118 TRP HA H 5.53 0.02 1 1290 . 118 TRP HB2 H 2.32 0.02 2 1291 . 118 TRP HB3 H 2.66 0.02 2 1292 . 118 TRP HD1 H 7.19 0.02 1 1293 . 118 TRP HE1 H 10.4 0.02 1 1294 . 118 TRP HE3 H 7.14 0.02 1 1295 . 118 TRP HZ2 H 7.66 0.02 1 1296 . 118 TRP HZ3 H 6.55 0.02 1 1297 . 118 TRP HH2 H 6.67 0.02 1 1298 . 118 TRP C C 175.3 0.1 1 1299 . 118 TRP CA C 53.9 0.1 1 1300 . 118 TRP CB C 32.5 0.1 1 1301 . 118 TRP CD1 C 127.3 0.1 1 1302 . 118 TRP CE3 C 121.2 0.1 1 1303 . 118 TRP CZ2 C 113.4 0.1 1 1304 . 118 TRP CZ3 C 119.8 0.1 1 1305 . 118 TRP CH2 C 123.5 0.1 1 1306 . 118 TRP N N 113.0 0.1 1 1307 . 118 TRP NE1 N 128.8 0.1 1 1308 . 119 GLY H H 8.62 0.02 1 1309 . 119 GLY HA2 H 3.95 0.02 2 1310 . 119 GLY HA3 H 4.00 0.02 2 1311 . 119 GLY C C 171.7 0.1 1 1312 . 119 GLY CA C 44.8 0.1 1 1313 . 119 GLY N N 105.8 0.1 1 1314 . 120 THR H H 8.14 0.02 1 1315 . 120 THR HA H 4.98 0.02 1 1316 . 120 THR HB H 4.46 0.02 1 1317 . 120 THR HG2 H 1.15 0.02 1 1318 . 120 THR C C 172.1 0.1 1 1319 . 120 THR CA C 60.5 0.1 1 1320 . 120 THR CB C 69.7 0.1 1 1321 . 120 THR CG2 C 19.5 0.1 1 1322 . 120 THR N N 111.6 0.1 1 1323 . 121 TYR H H 8.80 0.02 1 1324 . 121 TYR HA H 4.85 0.02 1 1325 . 121 TYR HB2 H 2.95 0.02 1 1326 . 121 TYR HB3 H 3.06 0.02 1 1327 . 121 TYR C C 174.2 0.1 1 1328 . 121 TYR CA C 57.2 0.1 1 1329 . 121 TYR CB C 40.7 0.1 1 1330 . 121 TYR N N 122.0 0.1 1 1331 . 122 TYR H H 8.27 0.02 1 1332 . 122 TYR HA H 4.46 0.02 1 1333 . 122 TYR HB2 H 2.94 0.02 2 1334 . 122 TYR HB3 H 3.07 0.02 2 1335 . 122 TYR HD1 H 7.08 0.02 1 1336 . 122 TYR HD2 H 7.08 0.02 1 1337 . 122 TYR HE1 H 6.80 0.02 1 1338 . 122 TYR HE2 H 6.80 0.02 1 1339 . 122 TYR C C 175.0 0.1 1 1340 . 122 TYR CA C 58.5 0.1 1 1341 . 122 TYR CB C 40.0 0.1 1 1342 . 122 TYR CD1 C 133.4 0.1 1 1343 . 122 TYR CD2 C 133.4 0.1 1 1344 . 122 TYR CE1 C 117.9 0.1 1 1345 . 122 TYR CE2 C 117.9 0.1 1 1346 . 122 TYR N N 121.6 0.1 1 1347 . 123 GLU H H 8.30 0.02 1 1348 . 123 GLU HA H 4.31 0.02 1 1349 . 123 GLU HB2 H 1.65 0.02 2 1350 . 123 GLU HB3 H 1.88 0.02 2 1351 . 123 GLU HG2 H 1.73 0.02 2 1352 . 123 GLU HG3 H 2.06 0.02 2 1353 . 123 GLU C C 175.5 0.1 1 1354 . 123 GLU CA C 56.0 0.1 1 1355 . 123 GLU CB C 30.4 0.1 1 1356 . 123 GLU CG C 35.3 0.1 1 1357 . 123 GLU N N 125.8 0.1 1 1358 . 124 GLY H H 8.09 0.02 1 1359 . 124 GLY HA2 H 3.94 0.02 2 1360 . 124 GLY HA3 H 4.06 0.02 2 1361 . 124 GLY C C 174.0 0.1 1 1362 . 124 GLY CA C 45.5 0.1 1 1363 . 124 GLY N N 109.8 0.1 1 1364 . 125 LEU H H 8.22 0.02 1 1365 . 125 LEU HA H 4.38 0.02 1 1366 . 125 LEU HB2 H 1.62 0.02 1 1367 . 125 LEU HB3 H 1.62 0.02 1 1368 . 125 LEU HG H 1.63 0.02 1 1369 . 125 LEU HD1 H 0.92 0.02 1 1370 . 125 LEU HD2 H 0.92 0.02 1 1371 . 125 LEU C C 177.4 0.1 1 1372 . 125 LEU CA C 55.6 0.1 1 1373 . 125 LEU CB C 42.9 0.1 1 1374 . 125 LEU CG C 27.2 0.1 1 1375 . 125 LEU CD1 C 25.0 0.1 1 1376 . 125 LEU CD2 C 25.0 0.1 1 1377 . 125 LEU N N 121.7 0.1 1 1378 . 126 GLU H H 8.58 0.02 1 1379 . 126 GLU HA H 4.24 0.02 1 1380 . 126 GLU HB2 H 1.89 0.02 2 1381 . 126 GLU HB3 H 1.95 0.02 2 1382 . 126 GLU HG2 H 2.14 0.02 2 1383 . 126 GLU HG3 H 2.23 0.02 2 1384 . 126 GLU C C 176.0 0.1 1 1385 . 126 GLU CA C 56.9 0.1 1 1386 . 126 GLU CB C 30.3 0.1 1 1387 . 126 GLU CG C 36.2 0.1 1 1388 . 126 GLU N N 121.0 0.1 1 1389 . 127 HIS H H 8.27 0.02 1 1390 . 127 HIS HA H 4.63 0.02 1 1391 . 127 HIS HB2 H 3.13 0.02 1 1392 . 127 HIS HB3 H 3.13 0.02 1 1393 . 127 HIS CA C 56.1 0.1 1 1394 . 127 HIS CB C 30.4 0.1 1 1395 . 127 HIS N N 119.6 0.1 1 1396 . 128 HIS H H 8.15 0.02 1 1397 . 128 HIS HA H 4.43 0.02 1 1398 . 128 HIS CA C 57.5 0.1 1 1399 . 128 HIS N N 125.4 0.1 1 stop_ save_