data_6244 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Novel all alpha-helical fold for gene target gi3844938 from Mycoplasma genitalium ; _BMRB_accession_number 6244 _BMRB_flat_file_name bmr6244.str _Entry_type original _Submission_date 2004-06-22 _Accession_date 2004-06-22 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; Berkeley Structural Genomics Center target gi3844938 from Mycoplasma genitalium ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shi Jianxia . . 2 Pelton Jeffrey G. . 3 Wemmer David E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 660 "13C chemical shifts" 557 "15N chemical shifts" 132 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-08-04 original author . stop_ _Original_release_date 2004-08-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Novel all alpha-helical fold for gene target gi3844938 from Mycoplasma genitalium ; _Citation_status 'in preparation' _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 Shi Jianxia . . 2 Pelton Jeffrey G. . 3 Yokota Hisao . . 4 Kim Rosalind . . 5 Wemmer David . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword 'protein fold' BSGC 'structural genomics' nmr stop_ save_ ################################## # Molecular system description # ################################## save_conserved_hypothetical_protein _Saveframe_category molecular_system _Mol_system_name 'Mycoplasma Genitalium gi3844938' _Abbreviation_common 'conserved hypothetical protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label gi3844938 $1279B stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' _Database_query_date . _Details ; There are three CYS in the moleucle. The states for none of the three have been determined. The structures upon which the assignments are based suggest the formation of a disulfide bond between CYS-18 and CYS-99. This has not been determined experimentally, however. ; save_ ######################## # Monomeric polymers # ######################## save_1279B _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common gi3844938 _Abbreviation_common 1279B _Molecular_mass 15703 _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 137 _Mol_residue_sequence ; MEQNNIKEQLISFFNQACST HQERLDFICSTRESDTFSSV DVPLEPIKNIIEITKDENQQ IEITKIAVNNIKTLSSVGAT GQYMASFFSTNSEPAIIFCV IYFLYHFGFLKDNNKKQIIK KAYETIADNIADYLNEN ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 GLN 4 ASN 5 ASN 6 ILE 7 LYS 8 GLU 9 GLN 10 LEU 11 ILE 12 SER 13 PHE 14 PHE 15 ASN 16 GLN 17 ALA 18 CYS 19 SER 20 THR 21 HIS 22 GLN 23 GLU 24 ARG 25 LEU 26 ASP 27 PHE 28 ILE 29 CYS 30 SER 31 THR 32 ARG 33 GLU 34 SER 35 ASP 36 THR 37 PHE 38 SER 39 SER 40 VAL 41 ASP 42 VAL 43 PRO 44 LEU 45 GLU 46 PRO 47 ILE 48 LYS 49 ASN 50 ILE 51 ILE 52 GLU 53 ILE 54 THR 55 LYS 56 ASP 57 GLU 58 ASN 59 GLN 60 GLN 61 ILE 62 GLU 63 ILE 64 THR 65 LYS 66 ILE 67 ALA 68 VAL 69 ASN 70 ASN 71 ILE 72 LYS 73 THR 74 LEU 75 SER 76 SER 77 VAL 78 GLY 79 ALA 80 THR 81 GLY 82 GLN 83 TYR 84 MET 85 ALA 86 SER 87 PHE 88 PHE 89 SER 90 THR 91 ASN 92 SER 93 GLU 94 PRO 95 ALA 96 ILE 97 ILE 98 PHE 99 CYS 100 VAL 101 ILE 102 TYR 103 PHE 104 LEU 105 TYR 106 HIS 107 PHE 108 GLY 109 PHE 110 LEU 111 LYS 112 ASP 113 ASN 114 ASN 115 LYS 116 LYS 117 GLN 118 ILE 119 ILE 120 LYS 121 LYS 122 ALA 123 TYR 124 GLU 125 THR 126 ILE 127 ALA 128 ASP 129 ASN 130 ILE 131 ALA 132 ASP 133 TYR 134 LEU 135 ASN 136 GLU 137 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-25 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 1TM9 "Nmr Structure Of Gene Target Number Gi3844938 From Mycoplasma Genitalium: Berkeley Structural Genomics Center" 100.00 137 100.00 100.00 1.29e-93 GB AAC71579 "conserved hypothetical protein [Mycoplasma genitalium G37]" 100.00 137 100.00 100.00 1.29e-93 GB ABY79523 "conserved hypothetical protein [synthetic Mycoplasma genitalium JCVI-1.0]" 100.00 137 100.00 100.00 1.29e-93 GB AFQ03197 "hypothetical protein CM9_02115 [Mycoplasma genitalium M2321]" 100.00 137 100.00 100.00 1.29e-93 GB AFQ03682 "hypothetical protein CM3_02230 [Mycoplasma genitalium M6282]" 100.00 137 100.00 100.00 1.29e-93 GB AFQ04187 "hypothetical protein CM1_02155 [Mycoplasma genitalium M6320]" 100.00 137 100.00 100.00 1.29e-93 REF NP_073025 "hypothetical protein MG_354 [Mycoplasma genitalium G37]" 100.00 137 100.00 100.00 1.29e-93 REF WP_009885812 "hypothetical protein [Mycoplasma genitalium]" 100.00 137 100.00 100.00 1.29e-93 REF YP_006599905 "hypothetical protein CM9_02115 [Mycoplasma genitalium M2321]" 100.00 137 100.00 100.00 1.29e-93 REF YP_006600390 "hypothetical protein CM3_02230 [Mycoplasma genitalium M6282]" 100.00 137 100.00 100.00 1.29e-93 REF YP_006600895 "hypothetical protein CM1_02155 [Mycoplasma genitalium M6320]" 100.00 137 100.00 100.00 1.29e-93 SP P47596 "RecName: Full=Uncharacterized protein MG354 [Mycoplasma genitalium G37]" 100.00 137 100.00 100.00 1.29e-93 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $1279B 'Mycoplasma genitalium' 243273 Eubacteria . Mycoplasma genitalium stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $1279B 'recombinant technology' 'E. coli' Escherichia coli BL21 DE3 . 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 $1279B 1.0 mM '[U-93% 13C; U-98% 15N]' KPO4 25 mM . NaCl 100 mM . EDTA 1 mM . TCEP 1 mM . stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Task 'Data analysis' stop_ _Details 'Bruce Johnson, Merck' save_ save_nmrPipe _Saveframe_category software _Name nmrPipe _Version 2.1 loop_ _Task 'Data processing' stop_ _Details ; NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J Biomol NMR. 1995 Nov;6(3):277-93. ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer DRX _Model Bruker _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer DRX _Model Bruker _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _Sample_label . save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_HNCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _Sample_label . save_ save_HACANH_6 _Saveframe_category NMR_applied_experiment _Experiment_name HACANH _Sample_label . save_ save_hC_CONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'hC CONH' _Sample_label . save_ save_Hc_CONH_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'Hc CONH' _Sample_label . save_ save_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_15N-NOESY-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-NOESY-HSQC _Sample_label . save_ save_15N-TOCSY-HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-TOCSY-HSQC _Sample_label . save_ save_2D_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_2D_TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label . save_ save_2D_13C_Double_half-filtered_TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C Double half-filtered TOCSY' _Sample_label . save_ save_2D_13C_Dboule_half-filtered_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C Dboule half-filtered NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HACANH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'hC CONH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'Hc CONH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-NOESY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-TOCSY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C Double half-filtered TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C Dboule half-filtered NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.7 0.1 na temperature 298 1 K 'ionic strength' 0.14 0.03 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 15N-HSQC HNCA CBCA(CO)NH HNCACB HNCACO HACANH 'hC CONH' 'Hc CONH' HCCH-TOCSY 15N-NOESY-HSQC 15N-TOCSY-HSQC '2D NOESY' '2D TOCSY' '2D 13C Double half-filtered TOCSY' '2D 13C Dboule half-filtered NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name gi3844938 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 MET HA H 4.39 0.02 1 2 . 1 MET HB2 H 1.90 0.02 2 3 . 1 MET HG2 H 2.39 0.02 2 4 . 1 MET C C 176.3 0.2 1 5 . 1 MET CA C 55.9 0.2 1 6 . 1 MET CB C 32.9 0.2 1 7 . 1 MET CG C 36.5 0.2 1 8 . 2 GLU H H 8.35 0.02 1 9 . 2 GLU HA H 4.13 0.02 1 10 . 2 GLU HB2 H 1.94 0.02 2 11 . 2 GLU HG2 H 2.20 0.02 2 12 . 2 GLU C C 177.0 0.2 1 13 . 2 GLU CA C 57.5 0.2 1 14 . 2 GLU CB C 30.0 0.2 1 15 . 2 GLU CG C 36.6 0.2 1 16 . 2 GLU N N 121.8 0.1 1 17 . 3 GLN H H 8.34 0.02 1 18 . 3 GLN HA H 4.04 0.02 1 19 . 3 GLN HB2 H 1.99 0.02 2 20 . 3 GLN HG2 H 2.23 0.02 2 21 . 3 GLN C C 176.0 0.2 1 22 . 3 GLN CA C 57.2 0.2 1 23 . 3 GLN CB C 29.8 0.2 1 24 . 3 GLN CG C 34.0 0.2 1 25 . 3 GLN N N 120.7 0.1 1 26 . 4 ASN H H 8.39 0.02 1 27 . 4 ASN HA H 4.50 0.02 1 28 . 4 ASN HB2 H 2.69 0.02 2 29 . 4 ASN C C 175.5 0.2 1 30 . 4 ASN CA C 54.1 0.2 1 31 . 4 ASN CB C 38.8 0.2 1 32 . 4 ASN N N 119.2 0.1 1 33 . 5 ASN H H 8.18 0.02 1 34 . 5 ASN HA H 4.58 0.02 1 35 . 5 ASN HB2 H 2.79 0.02 2 36 . 5 ASN C C 176.5 0.2 1 37 . 5 ASN CA C 54.1 0.2 1 38 . 5 ASN CB C 38.9 0.2 1 39 . 5 ASN N N 120.1 0.1 1 40 . 6 ILE H H 8.14 0.02 1 41 . 6 ILE HA H 3.72 0.02 1 42 . 6 ILE HB H 1.83 0.02 1 43 . 6 ILE HG12 H 1.17 0.02 2 44 . 6 ILE HG13 H 1.42 0.02 2 45 . 6 ILE HG2 H 0.70 0.02 1 46 . 6 ILE HD1 H 0.78 0.02 1 47 . 6 ILE C C 176.8 0.2 1 48 . 6 ILE CA C 63.8 0.2 1 49 . 6 ILE CB C 37.7 0.2 1 50 . 6 ILE CG1 C 29.6 0.2 2 51 . 6 ILE CG2 C 17.8 0.2 1 52 . 6 ILE CD1 C 13.2 0.2 1 53 . 6 ILE N N 121.8 0.1 1 54 . 7 LYS H H 8.25 0.02 1 55 . 7 LYS HA H 3.51 0.02 1 56 . 7 LYS HB2 H 1.81 0.02 2 57 . 7 LYS HG2 H 1.25 0.02 2 58 . 7 LYS HD2 H 1.63 0.02 2 59 . 7 LYS HE2 H 2.79 0.02 2 60 . 7 LYS HE3 H 2.69 0.02 2 61 . 7 LYS C C 177.4 0.2 1 62 . 7 LYS CA C 61.3 0.2 1 63 . 7 LYS CB C 32.3 0.2 1 64 . 7 LYS CG C 25.1 0.2 1 65 . 7 LYS CD C 29.5 0.2 1 66 . 7 LYS CE C 42.1 0.2 1 67 . 7 LYS N N 121.6 0.1 1 68 . 8 GLU H H 7.75 0.02 1 69 . 8 GLU HA H 3.81 0.02 1 70 . 8 GLU HB2 H 1.92 0.02 2 71 . 8 GLU HG2 H 2.23 0.02 2 72 . 8 GLU C C 179.7 0.2 1 73 . 8 GLU CA C 59.5 0.2 1 74 . 8 GLU CB C 29.5 0.2 1 75 . 8 GLU CG C 36.8 0.2 1 76 . 8 GLU N N 115.6 0.1 1 77 . 9 GLN H H 7.78 0.02 1 78 . 9 GLN HA H 3.71 0.02 1 79 . 9 GLN HB2 H 1.85 0.02 2 80 . 9 GLN HB3 H 1.99 0.02 2 81 . 9 GLN HG2 H 2.25 0.02 2 82 . 9 GLN HG3 H 2.02 0.02 2 83 . 9 GLN C C 177.7 0.2 1 84 . 9 GLN CA C 59.2 0.2 1 85 . 9 GLN CB C 29.8 0.2 1 86 . 9 GLN CG C 34.5 0.2 1 87 . 9 GLN N N 119.8 0.1 1 88 . 10 LEU H H 8.25 0.02 1 89 . 10 LEU HA H 3.83 0.02 1 90 . 10 LEU HB2 H 2.01 0.02 2 91 . 10 LEU HB3 H 1.16 0.02 2 92 . 10 LEU HG H 2.05 0.02 1 93 . 10 LEU HD1 H 0.62 0.02 1 94 . 10 LEU HD2 H 0.69 0.02 1 95 . 10 LEU C C 178.5 0.2 1 96 . 10 LEU CA C 58.9 0.2 1 97 . 10 LEU CB C 41.8 0.2 1 98 . 10 LEU CG C 25.5 0.2 1 99 . 10 LEU CD1 C 25.3 0.2 1 100 . 10 LEU CD2 C 22.9 0.2 1 101 . 10 LEU N N 117.9 0.1 1 102 . 11 ILE H H 7.70 0.02 1 103 . 11 ILE HA H 3.40 0.02 1 104 . 11 ILE HB H 1.65 0.02 1 105 . 11 ILE HG12 H 1.84 0.02 2 106 . 11 ILE HG2 H 0.84 0.02 1 107 . 11 ILE HD1 H 0.74 0.02 1 108 . 11 ILE C C 177.1 0.2 1 109 . 11 ILE CA C 65.7 0.2 1 110 . 11 ILE CB C 38.9 0.2 1 111 . 11 ILE CG1 C 28.8 0.2 1 112 . 11 ILE CG2 C 17.3 0.2 1 113 . 11 ILE CD1 C 14.1 0.2 1 114 . 11 ILE N N 117.4 0.1 1 115 . 12 SER H H 7.94 0.02 1 116 . 12 SER HA H 3.98 0.02 1 117 . 12 SER HB2 H 3.67 0.02 2 118 . 12 SER HB3 H 3.59 0.02 2 119 . 12 SER C C 178.6 0.2 1 120 . 12 SER CA C 61.6 0.2 1 121 . 12 SER CB C 62.6 0.2 1 122 . 12 SER N N 113.6 0.1 1 123 . 13 PHE H H 8.16 0.02 1 124 . 13 PHE HA H 4.54 0.02 1 125 . 13 PHE HB2 H 3.05 0.02 2 126 . 13 PHE HB3 H 2.78 0.02 2 127 . 13 PHE HD1 H 7.03 0.02 4 128 . 13 PHE C C 178.5 0.2 1 129 . 13 PHE CA C 60.0 0.2 1 130 . 13 PHE CB C 39.0 0.2 1 131 . 13 PHE N N 117.9 0.1 1 132 . 14 PHE H H 8.50 0.02 1 133 . 14 PHE HA H 3.63 0.02 1 134 . 14 PHE HB2 H 2.80 0.02 2 135 . 14 PHE HB3 H 2.64 0.02 2 136 . 14 PHE HD1 H 6.69 0.02 4 137 . 14 PHE C C 177.7 0.2 1 138 . 14 PHE CA C 63.6 0.2 1 139 . 14 PHE CB C 39.0 0.2 1 140 . 14 PHE N N 120.8 0.1 1 141 . 15 ASN H H 8.43 0.02 1 142 . 15 ASN HA H 4.66 0.02 1 143 . 15 ASN HB2 H 2.78 0.02 2 144 . 15 ASN HB3 H 2.64 0.02 2 145 . 15 ASN C C 177.1 0.2 1 146 . 15 ASN CA C 54.1 0.2 1 147 . 15 ASN CB C 38.3 0.2 1 148 . 15 ASN N N 116.5 0.1 1 149 . 16 GLN H H 7.26 0.02 1 150 . 16 GLN HA H 4.00 0.02 1 151 . 16 GLN HB2 H 2.27 0.02 2 152 . 16 GLN HB3 H 2.02 0.02 2 153 . 16 GLN HG2 H 2.62 0.02 2 154 . 16 GLN HG3 H 2.25 0.02 2 155 . 16 GLN C C 176.2 0.2 1 156 . 16 GLN CA C 57.3 0.2 1 157 . 16 GLN CB C 29.2 0.2 1 158 . 16 GLN CG C 34.2 0.2 1 159 . 16 GLN N N 116.4 0.1 1 160 . 17 ALA H H 7.50 0.02 1 161 . 17 ALA HA H 4.12 0.02 1 162 . 17 ALA HB H 0.88 0.02 1 163 . 17 ALA C C 176.7 0.2 1 164 . 17 ALA CA C 53.2 0.2 1 165 . 17 ALA CB C 20.0 0.2 1 166 . 17 ALA N N 121.8 0.1 1 167 . 18 CYS H H 7.38 0.02 1 168 . 18 CYS HA H 4.40 0.02 1 169 . 18 CYS HB2 H 2.25 0.02 2 170 . 18 CYS HB3 H 2.06 0.02 2 171 . 18 CYS C C 173.7 0.2 1 172 . 18 CYS CA C 57.3 0.2 1 173 . 18 CYS CB C 31.5 0.2 1 174 . 18 CYS N N 114.2 0.1 1 175 . 19 SER H H 9.12 0.02 1 176 . 19 SER HA H 4.66 0.02 1 177 . 19 SER HB2 H 3.88 0.02 2 178 . 19 SER HB3 H 3.82 0.02 2 179 . 19 SER C C 174.6 0.2 1 180 . 19 SER CA C 59.4 0.2 1 181 . 19 SER CB C 64.5 0.2 1 182 . 19 SER N N 117.4 0.1 1 183 . 20 THR H H 7.34 0.02 1 184 . 20 THR HA H 4.77 0.02 1 185 . 20 THR HB H 4.57 0.02 1 186 . 20 THR HG2 H 1.13 0.02 1 187 . 20 THR C C 174.3 0.2 1 188 . 20 THR CA C 59.1 0.2 1 189 . 20 THR CB C 72.4 0.2 1 190 . 20 THR CG2 C 21.4 0.2 1 191 . 20 THR N N 110.6 0.1 1 192 . 21 HIS H H 8.93 0.02 1 193 . 21 HIS HA H 4.29 0.02 1 194 . 21 HIS HB2 H 3.00 0.02 2 195 . 21 HIS HB3 H 3.20 0.02 2 196 . 21 HIS C C 176.7 0.2 1 197 . 21 HIS CA C 60.1 0.2 1 198 . 21 HIS CB C 31.6 0.2 1 199 . 21 HIS N N 121.9 0.1 1 200 . 22 GLN H H 8.62 0.02 1 201 . 22 GLN HA H 3.47 0.02 1 202 . 22 GLN HB2 H 1.81 0.02 2 203 . 22 GLN HB3 H 2.17 0.02 2 204 . 22 GLN HG2 H 2.27 0.02 2 205 . 22 GLN HG3 H 2.36 0.02 2 206 . 22 GLN C C 178.1 0.2 1 207 . 22 GLN CA C 59.1 0.2 1 208 . 22 GLN CB C 28.6 0.2 1 209 . 22 GLN CG C 33.6 0.2 1 210 . 22 GLN N N 117.5 0.1 1 211 . 23 GLU H H 7.57 0.02 1 212 . 23 GLU HA H 4.11 0.02 1 213 . 23 GLU HB2 H 2.08 0.02 2 214 . 23 GLU HG2 H 2.37 0.02 2 215 . 23 GLU C C 180.4 0.2 1 216 . 23 GLU CA C 59.1 0.2 1 217 . 23 GLU CB C 30.6 0.2 1 218 . 23 GLU CG C 37.4 0.2 1 219 . 23 GLU N N 116.0 0.1 1 220 . 24 ARG H H 8.10 0.02 1 221 . 24 ARG HA H 4.17 0.02 1 222 . 24 ARG C C 177.9 0.2 1 223 . 24 ARG CA C 61.7 0.2 1 224 . 24 ARG CB C 31.3 0.2 1 225 . 24 ARG N N 121.3 0.1 1 226 . 25 LEU H H 8.07 0.02 1 227 . 25 LEU HA H 3.98 0.02 1 228 . 25 LEU HB2 H 1.88 0.02 2 229 . 25 LEU HB3 H 1.27 0.02 2 230 . 25 LEU HG H 1.25 0.02 1 231 . 25 LEU HD1 H 0.68 0.02 1 232 . 25 LEU HD2 H 0.75 0.02 1 233 . 25 LEU C C 179.7 0.2 1 234 . 25 LEU CA C 58.8 0.2 1 235 . 25 LEU CB C 40.6 0.2 1 236 . 25 LEU CG C 25.9 0.2 1 237 . 25 LEU CD1 C 25.6 0.2 1 238 . 25 LEU CD2 C 21.8 0.2 1 239 . 25 LEU N N 118.3 0.1 1 240 . 26 ASP H H 8.47 0.02 1 241 . 26 ASP HA H 4.29 0.02 1 242 . 26 ASP HB2 H 2.73 0.02 2 243 . 26 ASP C C 178.8 0.2 1 244 . 26 ASP CA C 57.7 0.2 1 245 . 26 ASP CB C 39.9 0.2 1 246 . 26 ASP N N 119.8 0.1 1 247 . 27 PHE H H 8.45 0.02 1 248 . 27 PHE HA H 4.27 0.02 1 249 . 27 PHE HB2 H 3.71 0.02 2 250 . 27 PHE HB3 H 3.41 0.02 2 251 . 27 PHE HD1 H 7.13 0.02 4 252 . 27 PHE C C 179.0 0.2 1 253 . 27 PHE CA C 62.1 0.2 1 254 . 27 PHE CB C 39.7 0.2 1 255 . 27 PHE N N 123.4 0.1 1 256 . 28 ILE H H 8.53 0.02 1 257 . 28 ILE HA H 3.63 0.02 1 258 . 28 ILE HB H 2.31 0.02 1 259 . 28 ILE HG13 H 2.76 0.02 2 260 . 28 ILE HG2 H 0.99 0.02 1 261 . 28 ILE HD1 H 1.19 0.02 1 262 . 28 ILE C C 177.5 0.2 1 263 . 28 ILE CA C 66.9 0.2 1 264 . 28 ILE CB C 39.0 0.2 1 265 . 28 ILE CG1 C 30.8 0.2 2 266 . 28 ILE CG2 C 16.9 0.2 1 267 . 28 ILE CD1 C 14.5 0.2 1 268 . 28 ILE N N 124.7 0.1 1 269 . 29 CYS H H 7.74 0.02 1 270 . 29 CYS HA H 3.98 0.02 1 271 . 29 CYS HB2 H 3.06 0.02 2 272 . 29 CYS HB3 H 2.93 0.02 2 273 . 29 CYS C C 177.0 0.2 1 274 . 29 CYS CA C 64.0 0.2 1 275 . 29 CYS CB C 27.5 0.2 1 276 . 29 CYS N N 116.2 0.1 1 277 . 30 SER H H 8.68 0.02 1 278 . 30 SER HA H 4.19 0.02 1 279 . 30 SER HB2 H 3.79 0.02 2 280 . 30 SER C C 178.5 0.2 1 281 . 30 SER CA C 61.2 0.2 1 282 . 30 SER CB C 63.6 0.2 1 283 . 30 SER N N 115.4 0.1 1 284 . 31 THR H H 8.46 0.02 1 285 . 31 THR HA H 3.67 0.02 1 286 . 31 THR HB H 4.15 0.02 1 287 . 31 THR HG2 H 0.43 0.02 1 288 . 31 THR C C 174.2 0.2 1 289 . 31 THR CA C 68.4 0.2 1 290 . 31 THR CB C 68.2 0.2 1 291 . 31 THR CG2 C 22.7 0.2 1 292 . 31 THR N N 121.0 0.1 1 293 . 32 ARG H H 7.64 0.02 1 294 . 32 ARG HA H 3.39 0.02 1 295 . 32 ARG HB2 H 1.75 0.02 2 296 . 32 ARG HB3 H 1.97 0.02 2 297 . 32 ARG HG2 H 1.37 0.02 2 298 . 32 ARG HG3 H 1.55 0.02 2 299 . 32 ARG HD2 H 2.88 0.02 2 300 . 32 ARG C C 178.9 0.2 1 301 . 32 ARG CA C 59.5 0.2 1 302 . 32 ARG CB C 31.0 0.2 1 303 . 32 ARG CG C 27.7 0.2 1 304 . 32 ARG CD C 43.9 0.2 1 305 . 32 ARG N N 117.9 0.1 1 306 . 33 GLU H H 7.30 0.02 1 307 . 33 GLU HA H 4.31 0.02 1 308 . 33 GLU HB2 H 2.05 0.02 2 309 . 33 GLU HG2 H 2.30 0.02 2 310 . 33 GLU HG3 H 2.47 0.02 2 311 . 33 GLU C C 176.9 0.2 1 312 . 33 GLU CA C 56.3 0.2 1 313 . 33 GLU CB C 31.0 0.2 1 314 . 33 GLU CG C 35.8 0.2 1 315 . 33 GLU N N 114.5 0.1 1 316 . 34 SER H H 7.55 0.02 1 317 . 34 SER HA H 4.58 0.02 1 318 . 34 SER HB2 H 3.92 0.02 2 319 . 34 SER HB3 H 4.02 0.02 2 320 . 34 SER C C 174.0 0.2 1 321 . 34 SER CA C 60.2 0.2 1 322 . 34 SER CB C 64.7 0.2 1 323 . 34 SER N N 117.4 0.1 1 324 . 35 ASP H H 8.91 0.02 1 325 . 35 ASP HA H 4.58 0.02 1 326 . 35 ASP C C 176.5 0.2 1 327 . 35 ASP CA C 55.4 0.2 1 328 . 35 ASP CB C 41.5 0.2 1 329 . 35 ASP N N 123.0 0.1 1 330 . 36 THR H H 7.48 0.02 1 331 . 36 THR HA H 4.55 0.02 1 332 . 36 THR HB H 3.98 0.02 1 333 . 36 THR HG2 H 0.99 0.02 1 334 . 36 THR C C 175.2 0.2 1 335 . 36 THR CA C 59.7 0.2 1 336 . 36 THR CB C 70.9 0.2 1 337 . 36 THR CG2 C 21.0 0.2 1 338 . 36 THR N N 110.9 0.1 1 339 . 37 PHE H H 8.40 0.02 1 340 . 37 PHE HA H 3.10 0.02 1 341 . 37 PHE HB2 H 2.72 0.02 2 342 . 37 PHE HB3 H 2.11 0.02 2 343 . 37 PHE HD1 H 6.65 0.02 4 344 . 37 PHE HD2 H 7.06 0.02 4 345 . 37 PHE C C 174.8 0.2 1 346 . 37 PHE CA C 59.7 0.2 1 347 . 37 PHE CB C 38.3 0.2 1 348 . 37 PHE N N 124.8 0.1 1 349 . 38 SER H H 6.38 0.02 1 350 . 38 SER HA H 3.67 0.02 1 351 . 38 SER HB2 H 3.61 0.02 2 352 . 38 SER HB3 H 2.81 0.02 2 353 . 38 SER C C 174.8 0.2 1 354 . 38 SER CA C 58.5 0.2 1 355 . 38 SER CB C 61.6 0.2 1 356 . 38 SER N N 111.7 0.1 1 357 . 39 SER H H 7.45 0.02 1 358 . 39 SER HA H 4.35 0.02 1 359 . 39 SER HB2 H 3.92 0.02 2 360 . 39 SER HB3 H 3.88 0.02 2 361 . 39 SER C C 173.6 0.2 1 362 . 39 SER CA C 58.8 0.2 1 363 . 39 SER CB C 63.2 0.2 1 364 . 39 SER N N 116.8 0.1 1 365 . 40 VAL H H 7.12 0.02 1 366 . 40 VAL HA H 3.79 0.02 1 367 . 40 VAL HB H 2.11 0.02 1 368 . 40 VAL HG1 H 0.87 0.02 1 369 . 40 VAL HG2 H 1.16 0.02 1 370 . 40 VAL C C 176.2 0.2 1 371 . 40 VAL CA C 63.3 0.2 1 372 . 40 VAL CB C 32.1 0.2 1 373 . 40 VAL CG1 C 21.7 0.2 1 374 . 40 VAL CG2 C 23.0 0.2 1 375 . 40 VAL N N 121.7 0.1 1 376 . 41 ASP H H 8.21 0.02 1 377 . 41 ASP HA H 4.59 0.02 1 378 . 41 ASP HB2 H 2.79 0.02 2 379 . 41 ASP HB3 H 2.42 0.02 2 380 . 41 ASP C C 174.6 0.2 1 381 . 41 ASP CA C 53.7 0.2 1 382 . 41 ASP CB C 39.5 0.2 1 383 . 41 ASP N N 126.8 0.1 1 384 . 42 VAL H H 7.83 0.02 1 385 . 42 VAL HA H 4.67 0.02 1 386 . 42 VAL HB H 2.12 0.02 1 387 . 42 VAL HG1 H 0.85 0.02 1 388 . 42 VAL HG2 H 0.79 0.02 1 389 . 42 VAL CA C 58.7 0.2 1 390 . 42 VAL CB C 34.2 0.2 1 391 . 42 VAL CG1 C 22.7 0.2 1 392 . 42 VAL CG2 C 20.3 0.2 1 393 . 42 VAL N N 120.7 0.1 1 394 . 43 PRO HA H 4.29 0.02 1 395 . 43 PRO HB2 H 2.29 0.02 2 396 . 43 PRO HB3 H 1.69 0.02 2 397 . 43 PRO HG2 H 1.92 0.02 2 398 . 43 PRO HG3 H 2.09 0.02 2 399 . 43 PRO HD2 H 3.75 0.02 2 400 . 43 PRO HD3 H 3.56 0.02 2 401 . 43 PRO C C 176.7 0.2 1 402 . 43 PRO CA C 62.9 0.2 1 403 . 43 PRO CB C 32.0 0.2 1 404 . 43 PRO CG C 28.1 0.2 1 405 . 43 PRO CD C 51.6 0.2 1 406 . 44 LEU H H 7.93 0.02 1 407 . 44 LEU HA H 4.05 0.02 1 408 . 44 LEU HB2 H 1.39 0.02 2 409 . 44 LEU HB3 H 1.71 0.02 2 410 . 44 LEU HG H 1.78 0.02 1 411 . 44 LEU HD1 H 0.89 0.02 1 412 . 44 LEU HD2 H 0.82 0.02 1 413 . 44 LEU C C 179.3 0.2 1 414 . 44 LEU CA C 56.8 0.2 1 415 . 44 LEU CB C 43.3 0.2 1 416 . 44 LEU CG C 27.2 0.2 1 417 . 44 LEU CD1 C 24.3 0.2 1 418 . 44 LEU CD2 C 23.9 0.2 1 419 . 44 LEU N N 122.8 0.1 1 420 . 45 GLU H H 8.73 0.02 1 421 . 45 GLU HA H 3.90 0.02 1 422 . 45 GLU HB2 H 2.01 0.02 2 423 . 45 GLU HB3 H 1.91 0.02 2 424 . 45 GLU HG2 H 2.18 0.02 2 425 . 45 GLU CA C 61.9 0.2 1 426 . 45 GLU CB C 26.5 0.2 1 427 . 45 GLU CG C 36.1 0.2 1 428 . 45 GLU N N 120.3 0.1 1 429 . 46 PRO HA H 4.05 0.02 1 430 . 46 PRO HB2 H 2.51 0.02 2 431 . 46 PRO HB3 H 1.42 0.02 2 432 . 46 PRO HG2 H 1.69 0.02 2 433 . 46 PRO HG3 H 1.61 0.02 2 434 . 46 PRO HD2 H 3.53 0.02 2 435 . 46 PRO HD3 H 3.48 0.02 2 436 . 46 PRO C C 178.5 0.2 1 437 . 46 PRO CA C 65.1 0.2 1 438 . 46 PRO CB C 31.8 0.2 1 439 . 46 PRO CG C 28.8 0.2 1 440 . 46 PRO CD C 50.0 0.2 1 441 . 47 ILE H H 6.17 0.02 1 442 . 47 ILE HA H 3.44 0.02 1 443 . 47 ILE HB H 2.07 0.02 1 444 . 47 ILE HG12 H 1.04 0.02 2 445 . 47 ILE HG13 H 1.49 0.02 2 446 . 47 ILE HG2 H 0.58 0.02 1 447 . 47 ILE HD1 H 0.23 0.02 1 448 . 47 ILE C C 178.0 0.2 1 449 . 47 ILE CA C 61.3 0.2 1 450 . 47 ILE CB C 35.9 0.2 1 451 . 47 ILE CG1 C 28.1 0.2 2 452 . 47 ILE CG2 C 19.2 0.2 1 453 . 47 ILE CD1 C 8.4 0.2 1 454 . 47 ILE N N 115.2 0.1 1 455 . 48 LYS H H 8.59 0.02 1 456 . 48 LYS HA H 3.59 0.02 1 457 . 48 LYS HB2 H 1.73 0.02 2 458 . 48 LYS HG2 H 1.25 0.02 2 459 . 48 LYS HD2 H 1.53 0.02 2 460 . 48 LYS HE2 H 2.81 0.02 2 461 . 48 LYS C C 179.2 0.2 1 462 . 48 LYS CA C 60.2 0.2 1 463 . 48 LYS CB C 31.7 0.2 1 464 . 48 LYS CG C 25.8 0.2 1 465 . 48 LYS CD C 29.7 0.2 1 466 . 48 LYS CE C 41.8 0.2 1 467 . 48 LYS N N 121.6 0.1 1 468 . 49 ASN H H 7.37 0.02 1 469 . 49 ASN HA H 3.96 0.02 1 470 . 49 ASN HB2 H 1.70 0.02 2 471 . 49 ASN HB3 H 0.99 0.02 2 472 . 49 ASN C C 177.2 0.2 1 473 . 49 ASN CA C 56.0 0.2 1 474 . 49 ASN CB C 36.7 0.2 1 475 . 49 ASN N N 117.8 0.1 1 476 . 50 ILE H H 7.10 0.02 1 477 . 50 ILE HA H 3.38 0.02 1 478 . 50 ILE HB H 1.94 0.02 1 479 . 50 ILE HG2 H 0.69 0.02 1 480 . 50 ILE HD1 H 0.83 0.02 1 481 . 50 ILE C C 177.1 0.2 1 482 . 50 ILE CA C 65.7 0.2 1 483 . 50 ILE CB C 38.2 0.2 1 484 . 50 ILE CG2 C 17.6 0.2 1 485 . 50 ILE CD1 C 13.3 0.2 1 486 . 50 ILE N N 120.7 0.1 1 487 . 51 ILE H H 7.98 0.02 1 488 . 51 ILE HA H 2.82 0.02 1 489 . 51 ILE HB H 1.32 0.02 1 490 . 51 ILE HG12 H 1.18 0.02 2 491 . 51 ILE HG13 H 0.64 0.02 2 492 . 51 ILE HG2 H 0.04 0.02 1 493 . 51 ILE HD1 H 0.13 0.02 1 494 . 51 ILE C C 179.3 0.2 1 495 . 51 ILE CA C 65.7 0.2 1 496 . 51 ILE CB C 37.9 0.2 1 497 . 51 ILE CG1 C 29.1 0.2 2 498 . 51 ILE CG2 C 17.0 0.2 1 499 . 51 ILE CD1 C 14.9 0.2 1 500 . 51 ILE N N 120.1 0.1 1 501 . 52 GLU H H 7.77 0.02 1 502 . 52 GLU HA H 3.72 0.02 1 503 . 52 GLU HB2 H 1.92 0.02 2 504 . 52 GLU HG2 H 2.19 0.02 2 505 . 52 GLU C C 179.0 0.2 1 506 . 52 GLU CA C 59.4 0.2 1 507 . 52 GLU CB C 29.8 0.2 1 508 . 52 GLU CG C 35.7 0.2 1 509 . 52 GLU N N 119.1 0.1 1 510 . 53 ILE H H 7.23 0.02 1 511 . 53 ILE HA H 3.87 0.02 1 512 . 53 ILE HB H 2.02 0.02 1 513 . 53 ILE HG12 H 1.69 0.02 2 514 . 53 ILE HG13 H 1.24 0.02 2 515 . 53 ILE HG2 H 0.85 0.02 1 516 . 53 ILE HD1 H 0.82 0.02 1 517 . 53 ILE C C 176.1 0.2 1 518 . 53 ILE CA C 63.8 0.2 1 519 . 53 ILE CB C 38.2 0.2 1 520 . 53 ILE CG1 C 28.5 0.2 1 521 . 53 ILE CG2 C 17.9 0.2 1 522 . 53 ILE CD1 C 14.1 0.2 1 523 . 53 ILE N N 116.8 0.1 1 524 . 54 THR H H 7.12 0.02 1 525 . 54 THR HA H 3.85 0.02 1 526 . 54 THR HB H 4.13 0.02 1 527 . 54 THR HG2 H 1.04 0.02 1 528 . 54 THR C C 174.5 0.2 1 529 . 54 THR CA C 63.0 0.2 1 530 . 54 THR CB C 68.6 0.2 1 531 . 54 THR CG2 C 23.0 0.2 1 532 . 54 THR N N 106.4 0.1 1 533 . 55 LYS H H 7.08 0.02 1 534 . 55 LYS HA H 3.90 0.02 1 535 . 55 LYS HB2 H 1.81 0.02 2 536 . 55 LYS HG2 H 1.31 0.02 2 537 . 55 LYS HD2 H 1.55 0.02 2 538 . 55 LYS HD3 H 1.46 0.02 2 539 . 55 LYS HE2 H 2.68 0.02 2 540 . 55 LYS C C 176.7 0.2 1 541 . 55 LYS CA C 58.3 0.2 1 542 . 55 LYS CB C 32.9 0.2 1 543 . 55 LYS CG C 25.3 0.2 1 544 . 55 LYS CD C 29.6 0.2 1 545 . 55 LYS CE C 42.5 0.2 1 546 . 55 LYS N N 119.7 0.1 1 547 . 56 ASP H H 7.45 0.02 1 548 . 56 ASP HA H 4.66 0.02 1 549 . 56 ASP HB2 H 2.65 0.02 2 550 . 56 ASP C C 176.8 0.2 1 551 . 56 ASP CA C 53.5 0.2 1 552 . 56 ASP CB C 43.1 0.2 1 553 . 56 ASP N N 119.0 0.1 1 554 . 57 GLU H H 9.00 0.02 1 555 . 57 GLU HA H 3.86 0.02 1 556 . 57 GLU HB2 H 1.95 0.02 2 557 . 57 GLU HG3 H 2.24 0.02 2 558 . 57 GLU C C 178.5 0.2 1 559 . 57 GLU CA C 60.1 0.2 1 560 . 57 GLU CB C 30.1 0.2 1 561 . 57 GLU CG C 36.4 0.2 1 562 . 57 GLU N N 126.6 0.1 1 563 . 58 ASN H H 8.49 0.02 1 564 . 58 ASN HA H 4.46 0.02 1 565 . 58 ASN HB2 H 2.85 0.02 2 566 . 58 ASN HB3 H 2.66 0.02 2 567 . 58 ASN C C 178.5 0.2 1 568 . 58 ASN CA C 56.4 0.2 1 569 . 58 ASN CB C 37.9 0.2 1 570 . 58 ASN N N 117.0 0.1 1 571 . 59 GLN H H 8.02 0.02 1 572 . 59 GLN HA H 4.21 0.02 1 573 . 59 GLN HB2 H 2.28 0.02 2 574 . 59 GLN HB3 H 1.99 0.02 2 575 . 59 GLN HG2 H 2.51 0.02 2 576 . 59 GLN HG3 H 2.32 0.02 2 577 . 59 GLN C C 178.8 0.2 1 578 . 59 GLN CA C 58.5 0.2 1 579 . 59 GLN CB C 28.3 0.2 1 580 . 59 GLN CG C 34.7 0.2 1 581 . 59 GLN N N 119.8 0.1 1 582 . 60 GLN H H 8.10 0.02 1 583 . 60 GLN HA H 3.59 0.02 1 584 . 60 GLN HB2 H 2.22 0.02 2 585 . 60 GLN HG2 H 2.58 0.02 2 586 . 60 GLN C C 178.8 0.2 1 587 . 60 GLN CA C 60.7 0.2 1 588 . 60 GLN CB C 27.8 0.2 1 589 . 60 GLN CG C 34.5 0.2 1 590 . 60 GLN N N 118.9 0.1 1 591 . 61 ILE H H 7.58 0.02 1 592 . 61 ILE HA H 3.72 0.02 1 593 . 61 ILE HB H 2.02 0.02 1 594 . 61 ILE HG12 H 1.12 0.02 2 595 . 61 ILE HG13 H 1.75 0.02 2 596 . 61 ILE HG2 H 0.88 0.02 1 597 . 61 ILE C C 179.0 0.2 1 598 . 61 ILE CA C 65.1 0.2 1 599 . 61 ILE CB C 38.3 0.2 1 600 . 61 ILE CG1 C 29.2 0.2 2 601 . 61 ILE CG2 C 17.2 0.2 1 602 . 61 ILE N N 120.8 0.1 1 603 . 62 GLU H H 7.38 0.02 1 604 . 62 GLU HA H 4.12 0.02 1 605 . 62 GLU HB2 H 2.03 0.02 2 606 . 62 GLU HG2 H 2.32 0.02 2 607 . 62 GLU C C 179.6 0.2 1 608 . 62 GLU CA C 58.8 0.2 1 609 . 62 GLU CB C 30.0 0.2 1 610 . 62 GLU CG C 35.3 0.2 1 611 . 62 GLU N N 119.5 0.1 1 612 . 63 ILE H H 8.60 0.02 1 613 . 63 ILE HA H 3.54 0.02 1 614 . 63 ILE HB H 1.66 0.02 1 615 . 63 ILE HG12 H 0.98 0.02 2 616 . 63 ILE HG13 H 1.84 0.02 2 617 . 63 ILE HG2 H 0.59 0.02 1 618 . 63 ILE HD1 H 0.57 0.02 1 619 . 63 ILE C C 177.6 0.2 1 620 . 63 ILE CA C 65.3 0.2 1 621 . 63 ILE CB C 37.3 0.2 1 622 . 63 ILE CG1 C 30.9 0.2 1 623 . 63 ILE CG2 C 19.5 0.2 1 624 . 63 ILE CD1 C 14.1 0.2 1 625 . 63 ILE N N 119.8 0.1 1 626 . 64 THR H H 8.20 0.02 1 627 . 64 THR HA H 3.79 0.02 1 628 . 64 THR HB H 4.40 0.02 1 629 . 64 THR HG2 H 1.24 0.02 1 630 . 64 THR C C 175.4 0.2 1 631 . 64 THR CA C 67.9 0.2 1 632 . 64 THR CB C 68.5 0.2 1 633 . 64 THR CG2 C 21.2 0.2 1 634 . 64 THR N N 118.8 0.1 1 635 . 65 LYS H H 7.41 0.02 1 636 . 65 LYS HA H 3.93 0.02 1 637 . 65 LYS HB2 H 1.88 0.02 2 638 . 65 LYS HG2 H 1.31 0.02 2 639 . 65 LYS HD2 H 1.61 0.02 2 640 . 65 LYS HE2 H 2.68 0.02 2 641 . 65 LYS C C 179.8 0.2 1 642 . 65 LYS CA C 60.6 0.2 1 643 . 65 LYS CB C 32.9 0.2 1 644 . 65 LYS CG C 25.7 0.2 1 645 . 65 LYS CD C 30.1 0.2 1 646 . 65 LYS N N 120.7 0.1 1 647 . 66 ILE H H 7.51 0.02 1 648 . 66 ILE HA H 3.68 0.02 1 649 . 66 ILE HB H 2.07 0.02 1 650 . 66 ILE HG12 H 1.84 0.02 2 651 . 66 ILE HG13 H 0.96 0.02 2 652 . 66 ILE HG2 H 0.81 0.02 1 653 . 66 ILE HD1 H 0.73 0.02 1 654 . 66 ILE C C 178.6 0.2 1 655 . 66 ILE CA C 65.2 0.2 1 656 . 66 ILE CB C 38.2 0.2 1 657 . 66 ILE CG1 C 29.2 0.2 2 658 . 66 ILE CG2 C 17.8 0.2 1 659 . 66 ILE CD1 C 14.1 0.2 1 660 . 66 ILE N N 120.8 0.1 1 661 . 67 ALA H H 8.61 0.02 1 662 . 67 ALA HA H 4.28 0.02 1 663 . 67 ALA HB H 1.70 0.02 1 664 . 67 ALA C C 180.1 0.2 1 665 . 67 ALA CA C 54.8 0.2 1 666 . 67 ALA CB C 20.6 0.2 1 667 . 67 ALA N N 125.1 0.1 1 668 . 68 VAL H H 8.65 0.02 1 669 . 68 VAL HA H 3.57 0.02 1 670 . 68 VAL HB H 2.07 0.02 1 671 . 68 VAL HG1 H 0.91 0.02 1 672 . 68 VAL HG2 H 1.10 0.02 1 673 . 68 VAL C C 178.9 0.2 1 674 . 68 VAL CA C 67.0 0.2 1 675 . 68 VAL CB C 32.3 0.2 1 676 . 68 VAL CG1 C 21.3 0.2 1 677 . 68 VAL CG2 C 23.2 0.2 1 678 . 68 VAL N N 119.1 0.1 1 679 . 69 ASN H H 7.83 0.02 1 680 . 69 ASN HA H 4.43 0.02 1 681 . 69 ASN HB2 H 2.82 0.02 2 682 . 69 ASN C C 177.6 0.2 1 683 . 69 ASN CA C 56.5 0.2 1 684 . 69 ASN CB C 38.8 0.2 1 685 . 69 ASN N N 118.2 0.1 1 686 . 70 ASN H H 8.59 0.02 1 687 . 70 ASN HA H 4.57 0.02 1 688 . 70 ASN HB2 H 3.14 0.02 2 689 . 70 ASN HB3 H 2.83 0.02 2 690 . 70 ASN C C 176.9 0.2 1 691 . 70 ASN CA C 57.6 0.2 1 692 . 70 ASN CB C 40.2 0.2 1 693 . 70 ASN N N 120.8 0.1 1 694 . 71 ILE H H 8.51 0.02 1 695 . 71 ILE HA H 3.82 0.02 1 696 . 71 ILE HB H 2.04 0.02 1 697 . 71 ILE HG12 H 1.18 0.02 2 698 . 71 ILE HG13 H 1.47 0.02 2 699 . 71 ILE HG2 H 0.91 0.02 1 700 . 71 ILE HD1 H 0.09 0.02 1 701 . 71 ILE C C 178.7 0.2 1 702 . 71 ILE CA C 61.4 0.2 1 703 . 71 ILE CB C 36.8 0.2 1 704 . 71 ILE CG1 C 28.9 0.2 2 705 . 71 ILE CG2 C 18.4 0.2 1 706 . 71 ILE CD1 C 10.4 0.2 1 707 . 71 ILE N N 119.5 0.1 1 708 . 72 LYS H H 7.75 0.02 1 709 . 72 LYS HA H 3.98 0.02 1 710 . 72 LYS HB2 H 1.96 0.02 2 711 . 72 LYS HG2 H 1.48 0.02 2 712 . 72 LYS HG3 H 1.35 0.02 2 713 . 72 LYS HD2 H 1.61 0.02 2 714 . 72 LYS HE2 H 2.88 0.02 2 715 . 72 LYS C C 180.1 0.2 1 716 . 72 LYS CA C 60.1 0.2 1 717 . 72 LYS CB C 32.2 0.2 1 718 . 72 LYS CG C 25.0 0.2 1 719 . 72 LYS CD C 29.4 0.2 1 720 . 72 LYS CE C 42.4 0.2 1 721 . 72 LYS N N 123.6 0.1 1 722 . 73 THR H H 7.86 0.02 1 723 . 73 THR HA H 3.85 0.02 1 724 . 73 THR HB H 4.42 0.02 1 725 . 73 THR HG2 H 1.23 0.02 1 726 . 73 THR C C 176.2 0.2 1 727 . 73 THR CA C 66.6 0.2 1 728 . 73 THR CB C 68.6 0.2 1 729 . 73 THR CG2 C 21.4 0.2 1 730 . 73 THR N N 118.3 0.1 1 731 . 74 LEU H H 8.05 0.02 1 732 . 74 LEU HA H 3.71 0.02 1 733 . 74 LEU HB2 H 1.58 0.02 2 734 . 74 LEU HB3 H 1.34 0.02 2 735 . 74 LEU HG H 2.04 0.02 1 736 . 74 LEU HD1 H 0.94 0.02 1 737 . 74 LEU HD2 H 0.90 0.02 1 738 . 74 LEU C C 178.7 0.2 1 739 . 74 LEU CA C 56.7 0.2 1 740 . 74 LEU CB C 40.9 0.2 1 741 . 74 LEU CG C 26.8 0.2 1 742 . 74 LEU CD1 C 26.4 0.2 1 743 . 74 LEU CD2 C 24.0 0.2 1 744 . 74 LEU N N 119.4 0.1 1 745 . 75 SER H H 8.08 0.02 1 746 . 75 SER HA H 4.04 0.02 1 747 . 75 SER HB2 H 3.82 0.02 2 748 . 75 SER C C 175.1 0.2 1 749 . 75 SER CA C 61.3 0.2 1 750 . 75 SER CB C 62.1 0.2 1 751 . 75 SER N N 114.7 0.1 1 752 . 76 SER H H 7.23 0.02 1 753 . 76 SER HA H 4.27 0.02 1 754 . 76 SER HB2 H 3.78 0.02 2 755 . 76 SER C C 174.4 0.2 1 756 . 76 SER CA C 59.4 0.2 1 757 . 76 SER CB C 64.0 0.2 1 758 . 76 SER N N 115.1 0.1 1 759 . 77 VAL H H 7.08 0.02 1 760 . 77 VAL HA H 3.56 0.02 1 761 . 77 VAL HB H 1.66 0.02 1 762 . 77 VAL HG1 H 0.55 0.02 1 763 . 77 VAL HG2 H 0.04 0.02 1 764 . 77 VAL C C 176.3 0.2 1 765 . 77 VAL CA C 63.2 0.2 1 766 . 77 VAL CB C 32.2 0.2 1 767 . 77 VAL CG1 C 21.1 0.2 1 768 . 77 VAL CG2 C 20.2 0.2 1 769 . 77 VAL N N 121.7 0.1 1 770 . 78 GLY H H 7.58 0.02 1 771 . 78 GLY HA3 H 3.54 0.02 2 772 . 78 GLY C C 173.3 0.2 1 773 . 78 GLY CA C 45.4 0.2 1 774 . 78 GLY N N 109.3 0.1 1 775 . 79 ALA H H 7.89 0.02 1 776 . 79 ALA HA H 4.18 0.02 1 777 . 79 ALA HB H 1.18 0.02 1 778 . 79 ALA C C 177.8 0.2 1 779 . 79 ALA CA C 52.5 0.2 1 780 . 79 ALA CB C 19.3 0.2 1 781 . 79 ALA N N 122.6 0.1 1 782 . 80 THR H H 7.50 0.02 1 783 . 80 THR HA H 4.35 0.02 1 784 . 80 THR HB H 4.35 0.02 1 785 . 80 THR HG2 H 1.03 0.02 1 786 . 80 THR C C 175.6 0.2 1 787 . 80 THR CA C 60.1 0.2 1 788 . 80 THR CB C 70.3 0.2 1 789 . 80 THR CG2 C 21.5 0.2 1 790 . 80 THR N N 108.4 0.1 1 791 . 81 GLY H H 8.88 0.02 1 792 . 81 GLY HA2 H 3.26 0.02 2 793 . 81 GLY HA3 H 3.60 0.02 2 794 . 81 GLY C C 173.9 0.2 1 795 . 81 GLY CA C 46.6 0.2 1 796 . 81 GLY N N 110.1 0.1 1 797 . 82 GLN H H 8.14 0.02 1 798 . 82 GLN HA H 2.52 0.02 1 799 . 82 GLN HB2 H 1.43 0.02 2 800 . 82 GLN HB3 H 1.31 0.02 2 801 . 82 GLN HG2 H 1.92 0.02 2 802 . 82 GLN HG3 H 1.76 0.02 2 803 . 82 GLN C C 178.1 0.2 1 804 . 82 GLN CA C 58.5 0.2 1 805 . 82 GLN CB C 28.9 0.2 1 806 . 82 GLN CG C 33.1 0.2 1 807 . 82 GLN N N 120.9 0.1 1 808 . 83 TYR H H 7.27 0.02 1 809 . 83 TYR HA H 4.07 0.02 1 810 . 83 TYR HB2 H 2.74 0.02 2 811 . 83 TYR HB3 H 2.82 0.02 2 812 . 83 TYR HD1 H 7.0 0.02 2 813 . 83 TYR HE1 H 6.70 0.02 2 814 . 83 TYR C C 178.9 0.2 1 815 . 83 TYR CA C 60.0 0.2 1 816 . 83 TYR CB C 37.6 0.2 1 817 . 83 TYR CD1 C 133.1 0.2 3 818 . 83 TYR CE1 C 118.7 0.2 3 819 . 83 TYR N N 118.5 0.1 1 820 . 84 MET H H 7.87 0.02 1 821 . 84 MET HA H 4.10 0.02 1 822 . 84 MET HB2 H 1.28 0.02 2 823 . 84 MET HB3 H 1.84 0.02 2 824 . 84 MET HG2 H 2.02 0.02 2 825 . 84 MET C C 177.3 0.2 1 826 . 84 MET CA C 56.4 0.2 1 827 . 84 MET CB C 30.2 0.2 1 828 . 84 MET CG C 36.7 0.2 1 829 . 84 MET N N 121.0 0.1 1 830 . 85 ALA H H 8.35 0.02 1 831 . 85 ALA HA H 3.72 0.02 1 832 . 85 ALA HB H 1.38 0.02 1 833 . 85 ALA C C 179.7 0.2 1 834 . 85 ALA CA C 56.3 0.2 1 835 . 85 ALA CB C 18.3 0.2 1 836 . 85 ALA N N 120.5 0.1 1 837 . 86 SER H H 7.42 0.02 1 838 . 86 SER HA H 4.09 0.02 1 839 . 86 SER C C 178.0 0.2 1 840 . 86 SER CA C 61.3 0.2 1 841 . 86 SER CB C 63.4 0.2 1 842 . 86 SER N N 111.0 0.1 1 843 . 87 PHE H H 8.28 0.02 1 844 . 87 PHE HA H 4.11 0.02 1 845 . 87 PHE HB2 H 3.03 0.02 2 846 . 87 PHE HD1 H 7.12 0.02 4 847 . 87 PHE C C 178.6 0.2 1 848 . 87 PHE CA C 61.9 0.2 1 849 . 87 PHE CB C 39.5 0.2 1 850 . 87 PHE N N 125.5 0.1 1 851 . 88 PHE H H 8.86 0.02 1 852 . 88 PHE HA H 4.45 0.02 1 853 . 88 PHE HB2 H 3.47 0.02 2 854 . 88 PHE HD1 H 6.92 0.02 4 855 . 88 PHE C C 178.2 0.2 1 856 . 88 PHE CA C 56.6 0.2 1 857 . 88 PHE CB C 36.8 0.2 1 858 . 88 PHE N N 118.7 0.1 1 859 . 89 SER H H 7.76 0.02 1 860 . 89 SER HA H 2.93 0.02 1 861 . 89 SER HB2 H 3.29 0.02 2 862 . 89 SER HB3 H 3.49 0.02 2 863 . 89 SER C C 175.1 0.2 1 864 . 89 SER CA C 61.2 0.2 1 865 . 89 SER CB C 62.0 0.2 1 866 . 89 SER N N 116.8 0.1 1 867 . 90 THR H H 6.88 0.02 1 868 . 90 THR HA H 4.33 0.02 1 869 . 90 THR HB H 4.17 0.02 1 870 . 90 THR HG2 H 1.01 0.02 1 871 . 90 THR C C 174.1 0.2 1 872 . 90 THR CA C 61.6 0.2 1 873 . 90 THR CB C 68.7 0.2 1 874 . 90 THR CG2 C 21.6 0.2 1 875 . 90 THR N N 109.0 0.1 1 876 . 91 ASN H H 7.31 0.02 1 877 . 91 ASN HA H 4.77 0.02 1 878 . 91 ASN HB2 H 1.94 0.02 2 879 . 91 ASN HB3 H 1.60 0.02 2 880 . 91 ASN C C 172.8 0.2 1 881 . 91 ASN CA C 52.2 0.2 1 882 . 91 ASN CB C 39.3 0.2 1 883 . 91 ASN N N 122.7 0.1 1 884 . 92 SER H H 8.27 0.02 1 885 . 92 SER HA H 3.85 0.02 1 886 . 92 SER HB2 H 3.69 0.02 2 887 . 92 SER C C 175.5 0.2 1 888 . 92 SER CA C 62.3 0.2 1 889 . 92 SER CB C 63.0 0.2 1 890 . 92 SER N N 117.3 0.1 1 891 . 93 GLU H H 8.83 0.02 1 892 . 93 GLU HA H 4.04 0.02 1 893 . 93 GLU HB2 H 2.07 0.02 2 894 . 93 GLU HB3 H 2.01 0.02 2 895 . 93 GLU HG2 H 2.15 0.02 2 896 . 93 GLU CA C 62.6 0.2 1 897 . 93 GLU CB C 27.2 0.2 1 898 . 93 GLU N N 121.6 0.1 1 899 . 94 PRO HA H 4.31 0.02 1 900 . 94 PRO HB2 H 2.40 0.02 2 901 . 94 PRO HB3 H 1.78 0.02 2 902 . 94 PRO HG2 H 2.08 0.02 2 903 . 94 PRO HG3 H 2.11 0.02 2 904 . 94 PRO HD2 H 3.59 0.02 2 905 . 94 PRO HD3 H 3.52 0.02 2 906 . 94 PRO C C 178.4 0.2 1 907 . 94 PRO CA C 64.8 0.2 1 908 . 94 PRO CB C 31.2 0.2 1 909 . 94 PRO CG C 28.8 0.2 1 910 . 94 PRO CD C 49.0 0.2 1 911 . 95 ALA H H 6.79 0.02 1 912 . 95 ALA HA H 2.88 0.02 1 913 . 95 ALA HB H 1.09 0.02 1 914 . 95 ALA C C 178.8 0.2 1 915 . 95 ALA CA C 54.7 0.2 1 916 . 95 ALA CB C 20.8 0.2 1 917 . 95 ALA N N 119.3 0.1 1 918 . 96 ILE H H 8.52 0.02 1 919 . 96 ILE HA H 3.02 0.02 1 920 . 96 ILE HB H 1.81 0.02 1 921 . 96 ILE HG12 H 1.18 0.02 2 922 . 96 ILE HG13 H 1.77 0.02 2 923 . 96 ILE HG2 H 0.77 0.02 1 924 . 96 ILE HD1 H 0.86 0.02 1 925 . 96 ILE C C 177.2 0.2 1 926 . 96 ILE CA C 66.2 0.2 1 927 . 96 ILE CB C 39.0 0.2 1 928 . 96 ILE CG1 C 31.0 0.2 2 929 . 96 ILE CG2 C 18.3 0.2 1 930 . 96 ILE CD1 C 14.9 0.2 1 931 . 96 ILE N N 121.2 0.1 1 932 . 97 ILE H H 8.06 0.02 1 933 . 97 ILE HA H 3.26 0.02 1 934 . 97 ILE HB H 1.87 0.02 1 935 . 97 ILE HG12 H 1.15 0.02 1 936 . 97 ILE HG13 H 1.48 0.02 1 937 . 97 ILE HG2 H 0.69 0.02 1 938 . 97 ILE HD1 H 0.64 0.02 1 939 . 97 ILE C C 177.0 0.2 1 940 . 97 ILE CA C 63.4 0.2 1 941 . 97 ILE CB C 36.7 0.2 1 942 . 97 ILE CG1 C 28.0 0.2 2 943 . 97 ILE CG2 C 18.3 0.2 1 944 . 97 ILE CD1 C 11.0 0.2 1 945 . 97 ILE N N 116.7 0.1 1 946 . 98 PHE H H 8.25 0.02 1 947 . 98 PHE HA H 4.20 0.02 1 948 . 98 PHE HB2 H 3.30 0.02 2 949 . 98 PHE HB3 H 3.21 0.02 2 950 . 98 PHE C C 176.2 0.2 1 951 . 98 PHE CA C 63.0 0.2 1 952 . 98 PHE CB C 39.6 0.2 1 953 . 98 PHE N N 119.1 0.1 1 954 . 99 CYS H H 8.01 0.02 1 955 . 99 CYS HA H 3.83 0.02 1 956 . 99 CYS HB2 H 2.47 0.02 2 957 . 99 CYS HB3 H 2.27 0.02 2 958 . 99 CYS C C 176.3 0.2 1 959 . 99 CYS CA C 66.0 0.2 1 960 . 99 CYS CB C 28.8 0.2 1 961 . 99 CYS N N 116.3 0.1 1 962 . 100 VAL H H 7.47 0.02 1 963 . 100 VAL HA H 3.07 0.02 1 964 . 100 VAL HB H 1.76 0.02 1 965 . 100 VAL HG1 H 0.75 0.02 1 966 . 100 VAL HG2 H 0.51 0.02 1 967 . 100 VAL C C 176.5 0.2 1 968 . 100 VAL CA C 66.9 0.2 1 969 . 100 VAL CB C 32.5 0.2 1 970 . 100 VAL CG1 C 22.7 0.2 1 971 . 100 VAL CG2 C 23.4 0.2 1 972 . 100 VAL N N 116.4 0.1 1 973 . 101 ILE H H 8.41 0.02 1 974 . 101 ILE HA H 3.16 0.02 1 975 . 101 ILE HB H 1.63 0.02 1 976 . 101 ILE HG12 H 1.12 0.02 2 977 . 101 ILE HG13 H 1.33 0.02 2 978 . 101 ILE HG2 H 0.01 0.02 1 979 . 101 ILE HD1 H 0.40 0.02 1 980 . 101 ILE C C 177.5 0.2 1 981 . 101 ILE CA C 63.3 0.2 1 982 . 101 ILE CB C 35.3 0.2 1 983 . 101 ILE CG1 C 28.5 0.2 2 984 . 101 ILE CG2 C 19.1 0.2 1 985 . 101 ILE CD1 C 10.4 0.2 1 986 . 101 ILE N N 118.9 0.1 1 987 . 102 TYR H H 8.92 0.02 1 988 . 102 TYR HA H 3.96 0.02 1 989 . 102 TYR HB2 H 2.48 0.02 2 990 . 102 TYR HB3 H 2.56 0.02 2 991 . 102 TYR C C 176.8 0.2 1 992 . 102 TYR CA C 60.7 0.2 1 993 . 102 TYR CB C 38.2 0.2 1 994 . 102 TYR N N 119.6 0.1 1 995 . 103 PHE H H 7.68 0.02 1 996 . 103 PHE HA H 3.53 0.02 1 997 . 103 PHE HB2 H 2.77 0.02 2 998 . 103 PHE C C 176.4 0.2 1 999 . 103 PHE CA C 61.9 0.2 1 1000 . 103 PHE CB C 39.1 0.2 1 1001 . 103 PHE N N 118.5 0.1 1 1002 . 104 LEU H H 8.18 0.02 1 1003 . 104 LEU HA H 4.09 0.02 1 1004 . 104 LEU HB2 H 1.74 0.02 2 1005 . 104 LEU HB3 H 1.11 0.02 2 1006 . 104 LEU HG H 2.30 0.02 1 1007 . 104 LEU HD1 H 0.52 0.02 1 1008 . 104 LEU HD2 H 0.75 0.02 1 1009 . 104 LEU C C 181.0 0.2 1 1010 . 104 LEU CA C 58.2 0.2 1 1011 . 104 LEU CB C 42.2 0.2 1 1012 . 104 LEU CG C 26.3 0.2 1 1013 . 104 LEU CD1 C 25.9 0.2 1 1014 . 104 LEU CD2 C 22.2 0.2 1 1015 . 104 LEU N N 117.4 0.1 1 1016 . 105 TYR H H 8.83 0.02 1 1017 . 105 TYR HA H 4.57 0.02 1 1018 . 105 TYR HB2 H 2.81 0.02 2 1019 . 105 TYR HD1 H 6.66 0.02 2 1020 . 105 TYR HE1 H 6.08 0.02 2 1021 . 105 TYR C C 180.9 0.2 1 1022 . 105 TYR CA C 61.0 0.2 1 1023 . 105 TYR CB C 39.1 0.2 1 1024 . 105 TYR CD1 C 132.8 0.2 3 1025 . 105 TYR CE1 C 118.6 0.2 3 1026 . 105 TYR N N 118.8 0.1 1 1027 . 106 HIS H H 9.34 0.02 1 1028 . 106 HIS HA H 3.82 0.02 1 1029 . 106 HIS HB2 H 1.82 0.02 2 1030 . 106 HIS HB3 H 2.35 0.02 2 1031 . 106 HIS C C 176.5 0.2 1 1032 . 106 HIS CA C 59.7 0.2 1 1033 . 106 HIS CB C 28.3 0.2 1 1034 . 106 HIS N N 120.9 0.1 1 1035 . 107 PHE H H 7.16 0.02 1 1036 . 107 PHE HA H 4.41 0.02 1 1037 . 107 PHE HB2 H 3.10 0.02 2 1038 . 107 PHE HB3 H 2.05 0.02 2 1039 . 107 PHE HD1 H 6.65 0.02 4 1040 . 107 PHE HE1 H 7.06 0.02 4 1041 . 107 PHE HZ H 7.24 0.02 4 1042 . 107 PHE C C 175.0 0.2 1 1043 . 107 PHE CA C 57.6 0.2 1 1044 . 107 PHE CB C 39.7 0.2 1 1045 . 107 PHE N N 111.2 0.1 1 1046 . 108 GLY H H 7.16 0.02 1 1047 . 108 GLY HA3 H 3.71 0.02 2 1048 . 108 GLY C C 173.7 0.2 1 1049 . 108 GLY CA C 46.1 0.2 1 1050 . 108 GLY N N 106.3 0.1 1 1051 . 109 PHE H H 7.67 0.02 1 1052 . 109 PHE HA H 4.20 0.02 1 1053 . 109 PHE HB2 H 3.21 0.02 2 1054 . 109 PHE HB3 H 2.54 0.02 2 1055 . 109 PHE HD1 H 6.39 0.02 4 1056 . 109 PHE HE1 H 6.82 0.02 4 1057 . 109 PHE HZ H 7.01 0.02 4 1058 . 109 PHE C C 175.3 0.2 1 1059 . 109 PHE CA C 60.1 0.2 1 1060 . 109 PHE CB C 40.1 0.2 1 1061 . 109 PHE N N 118.4 0.1 1 1062 . 110 LEU H H 6.92 0.02 1 1063 . 110 LEU HA H 4.31 0.02 1 1064 . 110 LEU HB2 H 0.79 0.02 2 1065 . 110 LEU HB3 H 0.40 0.02 2 1066 . 110 LEU HG H 0.96 0.02 1 1067 . 110 LEU HD1 H 0.10 0.02 1 1068 . 110 LEU HD2 H 0.59 0.02 1 1069 . 110 LEU C C 174.3 0.2 1 1070 . 110 LEU CA C 52.5 0.2 1 1071 . 110 LEU CB C 45.9 0.2 1 1072 . 110 LEU CG C 27.2 0.2 1 1073 . 110 LEU CD1 C 25.1 0.2 1 1074 . 110 LEU CD2 C 23.5 0.2 1 1075 . 110 LEU N N 118.8 0.1 1 1076 . 111 LYS H H 8.18 0.02 1 1077 . 111 LYS HA H 4.29 0.02 1 1078 . 111 LYS HB2 H 1.64 0.02 2 1079 . 111 LYS HG2 H 1.27 0.02 2 1080 . 111 LYS HD2 H 1.51 0.02 2 1081 . 111 LYS HE2 H 2.88 0.02 2 1082 . 111 LYS C C 176.4 0.2 1 1083 . 111 LYS CA C 55.4 0.2 1 1084 . 111 LYS CB C 33.6 0.2 1 1085 . 111 LYS CG C 24.8 0.2 1 1086 . 111 LYS CD C 28.7 0.2 1 1087 . 111 LYS CE C 42.4 0.2 1 1088 . 111 LYS N N 124.4 0.1 1 1089 . 112 ASP H H 9.23 0.02 1 1090 . 112 ASP HA H 4.72 0.02 1 1091 . 112 ASP HB2 H 2.78 0.02 2 1092 . 112 ASP HB3 H 2.26 0.02 2 1093 . 112 ASP C C 176.1 0.2 1 1094 . 112 ASP CA C 53.5 0.2 1 1095 . 112 ASP CB C 42.1 0.2 1 1096 . 112 ASP N N 126.0 0.1 1 1097 . 113 ASN H H 8.70 0.02 1 1098 . 113 ASN HA H 4.57 0.02 1 1099 . 113 ASN HB2 H 2.79 0.02 2 1100 . 113 ASN C C 175.8 0.2 1 1101 . 113 ASN CA C 53.5 0.2 1 1102 . 113 ASN CB C 38.8 0.2 1 1103 . 113 ASN N N 122.8 0.1 1 1104 . 114 ASN H H 8.53 0.02 1 1105 . 114 ASN HA H 4.54 0.02 1 1106 . 114 ASN HB2 H 2.89 0.02 2 1107 . 114 ASN CA C 54.1 0.2 1 1108 . 114 ASN CB C 40.2 0.2 1 1109 . 114 ASN N N 120.6 0.1 1 1110 . 115 LYS HA H 3.98 0.02 1 1111 . 115 LYS HB2 H 1.81 0.02 2 1112 . 115 LYS HG2 H 1.46 0.02 2 1113 . 115 LYS HD2 H 1.62 0.02 2 1114 . 115 LYS HE2 H 2.93 0.02 2 1115 . 115 LYS C C 184.6 0.2 1 1116 . 115 LYS CA C 58.7 0.2 1 1117 . 115 LYS CB C 32.3 0.2 1 1118 . 115 LYS CG C 24.9 0.2 1 1119 . 115 LYS CD C 29.1 0.2 1 1120 . 115 LYS CE C 42.3 0.2 1 1121 . 116 LYS H H 8.36 0.02 1 1122 . 116 LYS HA H 4.14 0.02 1 1123 . 116 LYS HB2 H 1.83 0.02 2 1124 . 116 LYS HG2 H 1.31 0.02 2 1125 . 116 LYS HD2 H 1.57 0.02 2 1126 . 116 LYS HE2 H 2.86 0.02 2 1127 . 116 LYS C C 175.8 0.2 1 1128 . 116 LYS CA C 56.6 0.2 1 1129 . 116 LYS CB C 32.3 0.2 1 1130 . 116 LYS CG C 25.5 0.2 1 1131 . 116 LYS CD C 29.2 0.2 1 1132 . 116 LYS CE C 42.4 0.2 1 1133 . 116 LYS N N 116.9 0.1 1 1134 . 117 GLN H H 8.13 0.02 1 1135 . 117 GLN HA H 3.81 0.02 1 1136 . 117 GLN HB2 H 2.04 0.02 2 1137 . 117 GLN HB3 H 2.00 0.02 2 1138 . 117 GLN HG2 H 2.23 0.02 2 1139 . 117 GLN C C 175.8 0.2 1 1140 . 117 GLN CA C 56.7 0.2 1 1141 . 117 GLN CB C 27.7 0.2 1 1142 . 117 GLN CG C 34.9 0.2 1 1143 . 117 GLN N N 115.4 0.1 1 1144 . 118 ILE H H 6.58 0.02 1 1145 . 118 ILE HA H 3.58 0.02 1 1146 . 118 ILE HB H 1.74 0.02 2 1147 . 118 ILE HG12 H 0.98 0.02 2 1148 . 118 ILE HG13 H 1.34 0.02 1 1149 . 118 ILE HG2 H 0.84 0.02 1 1150 . 118 ILE HD1 H 0.76 0.02 1 1151 . 118 ILE C C 178.1 0.2 1 1152 . 118 ILE CA C 64.1 0.2 1 1153 . 118 ILE CB C 38.6 0.2 1 1154 . 118 ILE CG1 C 27.2 0.2 2 1155 . 118 ILE CG2 C 18.7 0.2 1 1156 . 118 ILE N N 110.7 0.1 1 1157 . 119 ILE H H 9.00 0.02 1 1158 . 119 ILE HA H 3.85 0.02 1 1159 . 119 ILE HB H 1.84 0.02 1 1160 . 119 ILE HG12 H 1.48 0.02 2 1161 . 119 ILE HG13 H 1.15 0.02 2 1162 . 119 ILE HG2 H 0.99 0.02 1 1163 . 119 ILE HD1 H 0.77 0.02 1 1164 . 119 ILE C C 178.0 0.2 1 1165 . 119 ILE CA C 64.0 0.2 1 1166 . 119 ILE CB C 36.6 0.2 1 1167 . 119 ILE CG1 C 28.0 0.2 2 1168 . 119 ILE CG2 C 18.4 0.2 1 1169 . 119 ILE CD1 C 11.7 0.2 1 1170 . 119 ILE N N 125.3 0.1 1 1171 . 120 LYS H H 8.77 0.02 1 1172 . 120 LYS HA H 3.13 0.02 1 1173 . 120 LYS HB2 H 1.53 0.02 2 1174 . 120 LYS HB3 H 1.15 0.02 2 1175 . 120 LYS HG2 H 1.08 0.02 2 1176 . 120 LYS HE2 H 2.82 0.02 2 1177 . 120 LYS C C 178.9 0.2 1 1178 . 120 LYS CA C 60.7 0.2 1 1179 . 120 LYS CB C 33.3 0.2 1 1180 . 120 LYS CG C 24.8 0.2 1 1181 . 120 LYS N N 122.9 0.1 1 1182 . 121 LYS H H 8.33 0.02 1 1183 . 121 LYS HA H 3.98 0.02 1 1184 . 121 LYS HB2 H 1.74 0.02 2 1185 . 121 LYS HG2 H 1.35 0.02 2 1186 . 121 LYS HD2 H 1.58 0.02 2 1187 . 121 LYS HE2 H 2.85 0.02 2 1188 . 121 LYS C C 179.1 0.2 1 1189 . 121 LYS CA C 59.3 0.2 1 1190 . 121 LYS CB C 32.7 0.2 1 1191 . 121 LYS CG C 25.6 0.2 1 1192 . 121 LYS CD C 29.2 0.2 1 1193 . 121 LYS CE C 42.5 0.2 1 1194 . 121 LYS N N 114.7 0.1 1 1195 . 122 ALA H H 7.50 0.02 1 1196 . 122 ALA HA H 4.11 0.02 1 1197 . 122 ALA HB H 1.48 0.02 1 1198 . 122 ALA C C 180.8 0.2 1 1199 . 122 ALA CA C 55.5 0.2 1 1200 . 122 ALA CB C 18.8 0.2 1 1201 . 122 ALA N N 124.2 0.1 1 1202 . 123 TYR H H 7.85 0.02 1 1203 . 123 TYR HA H 3.97 0.02 1 1204 . 123 TYR HB2 H 2.94 0.02 2 1205 . 123 TYR HB3 H 3.29 0.02 2 1206 . 123 TYR HD1 H 7.07 0.02 2 1207 . 123 TYR HE1 H 6.67 0.02 2 1208 . 123 TYR C C 177.9 0.2 1 1209 . 123 TYR CA C 64.7 0.2 1 1210 . 123 TYR CB C 39.3 0.2 1 1211 . 123 TYR CD1 C 134.0 0.2 3 1212 . 123 TYR CE2 C 119.4 0.2 3 1213 . 123 TYR N N 117.2 0.1 1 1214 . 124 GLU H H 8.34 0.02 1 1215 . 124 GLU HA H 4.09 0.02 1 1216 . 124 GLU HB2 H 2.12 0.02 2 1217 . 124 GLU HB3 H 2.22 0.02 2 1218 . 124 GLU HG2 H 2.47 0.02 2 1219 . 124 GLU C C 178.3 0.2 1 1220 . 124 GLU CA C 59.5 0.2 1 1221 . 124 GLU CB C 29.7 0.2 1 1222 . 124 GLU CG C 36.3 0.2 1 1223 . 124 GLU N N 117.2 0.1 1 1224 . 125 THR H H 8.23 0.02 1 1225 . 125 THR HA H 3.88 0.02 1 1226 . 125 THR HB H 4.16 0.02 1 1227 . 125 THR HG2 H 1.11 0.02 1 1228 . 125 THR C C 176.1 0.2 1 1229 . 125 THR CA C 66.9 0.2 1 1230 . 125 THR CB C 69.4 0.2 1 1231 . 125 THR CG2 C 21.2 0.2 1 1232 . 125 THR N N 115.0 0.1 1 1233 . 126 ILE H H 7.37 0.02 1 1234 . 126 ILE HA H 3.49 0.02 1 1235 . 126 ILE HB H 1.82 0.02 1 1236 . 126 ILE HG12 H 1.67 0.02 2 1237 . 126 ILE HG13 H 0.77 0.02 2 1238 . 126 ILE HG2 H 0.29 0.02 1 1239 . 126 ILE HD1 H 0.55 0.02 1 1240 . 126 ILE C C 177.8 0.2 1 1241 . 126 ILE CA C 65.8 0.2 1 1242 . 126 ILE CB C 38.0 0.2 1 1243 . 126 ILE CG1 C 29.6 0.2 2 1244 . 126 ILE CG2 C 18.7 0.2 1 1245 . 126 ILE CD1 C 13.7 0.2 1 1246 . 126 ILE N N 121.4 0.1 1 1247 . 127 ALA H H 8.02 0.02 1 1248 . 127 ALA HA H 3.59 0.02 1 1249 . 127 ALA HB H 0.74 0.02 1 1250 . 127 ALA C C 179.2 0.2 1 1251 . 127 ALA CA C 56.0 0.2 1 1252 . 127 ALA CB C 18.4 0.2 1 1253 . 127 ALA N N 122.1 0.1 1 1254 . 128 ASP H H 8.37 0.02 1 1255 . 128 ASP HA H 4.10 0.02 1 1256 . 128 ASP HB2 H 2.88 0.02 2 1257 . 128 ASP HB3 H 2.63 0.02 2 1258 . 128 ASP C C 178.2 0.2 1 1259 . 128 ASP CA C 57.6 0.2 1 1260 . 128 ASP CB C 39.9 0.2 1 1261 . 128 ASP N N 117.8 0.1 1 1262 . 129 ASN H H 8.00 0.02 1 1263 . 129 ASN HA H 4.43 0.02 1 1264 . 129 ASN HB2 H 2.97 0.02 2 1265 . 129 ASN HB3 H 2.44 0.02 2 1266 . 129 ASN C C 179.4 0.2 1 1267 . 129 ASN CA C 55.7 0.2 1 1268 . 129 ASN CB C 37.5 0.2 1 1269 . 129 ASN N N 118.7 0.1 1 1270 . 130 ILE H H 8.48 0.02 1 1271 . 130 ILE HA H 3.51 0.02 1 1272 . 130 ILE HB H 1.92 0.02 1 1273 . 130 ILE HG12 H 1.62 0.02 1 1274 . 130 ILE HG13 H 0.80 0.02 1 1275 . 130 ILE HG2 H 0.81 0.02 1 1276 . 130 ILE HD1 H 0.39 0.02 1 1277 . 130 ILE C C 176.5 0.2 1 1278 . 130 ILE CA C 65.9 0.2 1 1279 . 130 ILE CB C 38.0 0.2 1 1280 . 130 ILE CG1 C 29.2 0.2 2 1281 . 130 ILE CG2 C 17.3 0.2 1 1282 . 130 ILE CD1 C 14.1 0.2 1 1283 . 130 ILE N N 123.2 0.1 1 1284 . 131 ALA H H 8.56 0.02 1 1285 . 131 ALA HA H 4.02 0.02 1 1286 . 131 ALA HB H 1.41 0.02 1 1287 . 131 ALA C C 180.0 0.2 1 1288 . 131 ALA CA C 55.6 0.2 1 1289 . 131 ALA CB C 18.6 0.2 1 1290 . 131 ALA N N 122.6 0.1 1 1291 . 132 ASP H H 8.33 0.02 1 1292 . 132 ASP HA H 4.31 0.02 1 1293 . 132 ASP HB2 H 2.75 0.02 2 1294 . 132 ASP HB3 H 2.62 0.02 2 1295 . 132 ASP C C 178.7 0.2 1 1296 . 132 ASP CA C 57.4 0.2 1 1297 . 132 ASP CB C 40.9 0.2 1 1298 . 132 ASP N N 117.5 0.1 1 1299 . 133 TYR H H 7.51 0.02 1 1300 . 133 TYR HA H 4.31 0.02 1 1301 . 133 TYR HB2 H 3.18 0.02 2 1302 . 133 TYR HB3 H 3.08 0.02 2 1303 . 133 TYR HD1 H 6.92 0.02 2 1304 . 133 TYR HE1 H 6.62 0.02 2 1305 . 133 TYR C C 177.6 0.2 1 1306 . 133 TYR CA C 60.1 0.2 1 1307 . 133 TYR CB C 38.0 0.2 1 1308 . 133 TYR CD1 C 133.9 0.2 3 1309 . 133 TYR CE1 C 118.7 0.2 3 1310 . 133 TYR N N 120.4 0.1 1 1311 . 134 LEU H H 8.02 0.02 1 1312 . 134 LEU HA H 3.62 0.02 1 1313 . 134 LEU HB2 H 1.40 0.02 2 1314 . 134 LEU HB3 H 1.60 0.02 2 1315 . 134 LEU HG H 1.81 0.02 1 1316 . 134 LEU HD1 H 0.74 0.02 1 1317 . 134 LEU HD2 H 0.74 0.02 1 1318 . 134 LEU C C 178.1 0.2 1 1319 . 134 LEU CA C 56.3 0.2 1 1320 . 134 LEU CB C 41.2 0.2 1 1321 . 134 LEU CG C 26.8 0.2 1 1322 . 134 LEU CD1 C 27.2 0.2 1 1323 . 134 LEU CD2 C 22.7 0.2 1 1324 . 134 LEU N N 119.3 0.1 1 1325 . 135 ASN H H 7.66 0.02 1 1326 . 135 ASN HA H 4.56 0.02 1 1327 . 135 ASN HB2 H 2.78 0.02 2 1328 . 135 ASN C C 175.4 0.2 1 1329 . 135 ASN CA C 53.8 0.2 1 1330 . 135 ASN CB C 39.2 0.2 1 1331 . 135 ASN N N 116.7 0.1 1 1332 . 136 GLU H H 7.54 0.02 1 1333 . 136 GLU HA H 4.17 0.02 1 1334 . 136 GLU HB2 H 1.86 0.02 2 1335 . 136 GLU HB3 H 1.96 0.02 2 1336 . 136 GLU HG2 H 2.19 0.02 2 1337 . 136 GLU HG3 H 2.30 0.02 2 1338 . 136 GLU C C 175.4 0.2 1 1339 . 136 GLU CA C 56.7 0.2 1 1340 . 136 GLU CB C 30.2 0.2 1 1341 . 136 GLU CG C 36.2 0.2 1 1342 . 136 GLU N N 120.3 0.1 1 1343 . 137 ASN H H 7.68 0.02 1 1344 . 137 ASN HA H 4.36 0.02 1 1345 . 137 ASN HB2 H 2.57 0.02 2 1346 . 137 ASN HB3 H 2.38 0.02 2 1347 . 137 ASN CA C 54.8 0.2 1 1348 . 137 ASN CB C 41.0 0.2 1 1349 . 137 ASN N N 124.9 0.1 1 stop_ save_