data_15207 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments of YajG ; _BMRB_accession_number 15207 _BMRB_flat_file_name bmr15207.str _Entry_type original _Submission_date 2007-04-06 _Accession_date 2007-04-06 _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 Boudet Julien . . 2 Simorre Jean-Pierre . . 3 Bougault Catherine . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 933 "13C chemical shifts" 750 "15N chemical shifts" 184 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-10-16 update BMRB 'add PubMed ID' 2008-10-16 update BMRB 'complete entry citation' 2007-08-23 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C and 15N resonance assignments of YajG, an Escherichia coli protein of unknown structure and function' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636835 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Boudet Julien . . 2 Chouquet Anne . . 3 Chahboune Aicha . . 4 Giustini Cecile . . 5 Joris Bernard . . 6 Simorre Jean-Pierre . . 7 Bougault Catherine . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR Assignments' _Journal_volume 1 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 89 _Page_last 91 _Year 2007 _Details . loop_ _Keyword 'ampG operon' 'Escherichia coli' 'triple resonance experiments' YajG stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name yajg _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label yajg $yajg stop_ _System_molecular_weight 19990 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function unknown stop_ _Database_query_date . _Details 'yajg protein' save_ ######################## # Monomeric polymers # ######################## save_yajg _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common yajg _Molecular_mass 19990 _Mol_thiol_state 'not present' loop_ _Biological_function unknown stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 182 _Mol_residue_sequence ; AKPPTTIEVSPTITLPQQDP SLMGVTVSINGADQRTDQAL AKVTRDNQIVTLTASRDLRF LLQEVLEKQMTARGYMVGPN GPVNLQIIVSQLYADVSQGN VRYNIATKADIAIIATAQNG NKMTKNYRASYNVEGAFQAS NKNIADAVNSVLTDTIADMS QDTSIHEFIKQNARLEHHHH HH ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 LYS 3 PRO 4 PRO 5 THR 6 THR 7 ILE 8 GLU 9 VAL 10 SER 11 PRO 12 THR 13 ILE 14 THR 15 LEU 16 PRO 17 GLN 18 GLN 19 ASP 20 PRO 21 SER 22 LEU 23 MET 24 GLY 25 VAL 26 THR 27 VAL 28 SER 29 ILE 30 ASN 31 GLY 32 ALA 33 ASP 34 GLN 35 ARG 36 THR 37 ASP 38 GLN 39 ALA 40 LEU 41 ALA 42 LYS 43 VAL 44 THR 45 ARG 46 ASP 47 ASN 48 GLN 49 ILE 50 VAL 51 THR 52 LEU 53 THR 54 ALA 55 SER 56 ARG 57 ASP 58 LEU 59 ARG 60 PHE 61 LEU 62 LEU 63 GLN 64 GLU 65 VAL 66 LEU 67 GLU 68 LYS 69 GLN 70 MET 71 THR 72 ALA 73 ARG 74 GLY 75 TYR 76 MET 77 VAL 78 GLY 79 PRO 80 ASN 81 GLY 82 PRO 83 VAL 84 ASN 85 LEU 86 GLN 87 ILE 88 ILE 89 VAL 90 SER 91 GLN 92 LEU 93 TYR 94 ALA 95 ASP 96 VAL 97 SER 98 GLN 99 GLY 100 ASN 101 VAL 102 ARG 103 TYR 104 ASN 105 ILE 106 ALA 107 THR 108 LYS 109 ALA 110 ASP 111 ILE 112 ALA 113 ILE 114 ILE 115 ALA 116 THR 117 ALA 118 GLN 119 ASN 120 GLY 121 ASN 122 LYS 123 MET 124 THR 125 LYS 126 ASN 127 TYR 128 ARG 129 ALA 130 SER 131 TYR 132 ASN 133 VAL 134 GLU 135 GLY 136 ALA 137 PHE 138 GLN 139 ALA 140 SER 141 ASN 142 LYS 143 ASN 144 ILE 145 ALA 146 ASP 147 ALA 148 VAL 149 ASN 150 SER 151 VAL 152 LEU 153 THR 154 ASP 155 THR 156 ILE 157 ALA 158 ASP 159 MET 160 SER 161 GLN 162 ASP 163 THR 164 SER 165 ILE 166 HIS 167 GLU 168 PHE 169 ILE 170 LYS 171 GLN 172 ASN 173 ALA 174 ARG 175 LEU 176 GLU 177 HIS 178 HIS 179 HIS 180 HIS 181 HIS 182 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-09 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 DBJ BAB33911 "putative polymerase/proteinase [Escherichia coli O157:H7 str. Sakai]" 95.60 226 99.43 100.00 3.79e-120 DBJ BAE76214 "predicted lipoprotein [Escherichia coli str. K12 substr. W3110]" 95.60 192 100.00 100.00 1.62e-121 DBJ BAG75983 "putative lipoprotein [Escherichia coli SE11]" 95.60 192 100.00 100.00 1.62e-121 DBJ BAI23808 "predicted lipoprotein [Escherichia coli O26:H11 str. 11368]" 95.60 192 100.00 100.00 1.62e-121 DBJ BAI29279 "predicted lipoprotein [Escherichia coli O103:H2 str. 12009]" 95.60 192 100.00 100.00 1.62e-121 EMBL CAP74968 "Uncharacterized lipoprotein yajG [Escherichia coli LF82]" 95.60 192 100.00 100.00 1.62e-121 EMBL CAQ30906 "predicted lipoprotein [Escherichia coli BL21(DE3)]" 95.60 192 99.43 100.00 2.70e-121 EMBL CAQ97309 "putative lipoprotein [Escherichia coli IAI1]" 95.60 192 100.00 100.00 1.62e-121 EMBL CAR01777 "putative lipoprotein [Escherichia coli S88]" 95.60 192 100.00 100.00 1.62e-121 EMBL CAR06667 "putative lipoprotein [Escherichia coli ED1a]" 95.60 192 100.00 100.00 1.62e-121 GB AAB28883 "orf 5' of ampG [Escherichia coli]" 95.60 192 100.00 100.00 1.62e-121 GB AAB40190 "hypothetical 20.9 kd lipoprotein [Escherichia coli]" 95.60 226 100.00 100.00 1.30e-120 GB AAC73537 "putative lipoprotein [Escherichia coli str. K-12 substr. MG1655]" 95.60 192 100.00 100.00 1.62e-121 GB AAG54784 "hypothetical protein Z0537 [Escherichia coli O157:H7 str. EDL933]" 95.60 226 99.43 100.00 3.79e-120 GB AAN42034 "putative polymerase/proteinase [Shigella flexneri 2a str. 301]" 95.60 226 99.43 99.43 1.68e-119 REF NP_308515 "hypothetical protein ECs0488 [Escherichia coli O157:H7 str. Sakai]" 95.60 192 99.43 100.00 4.83e-121 REF NP_414968 "putative lipoprotein [Escherichia coli str. K-12 substr. MG1655]" 95.60 192 100.00 100.00 1.62e-121 REF NP_706327 "polymerase/proteinase [Shigella flexneri 2a str. 301]" 95.60 226 99.43 99.43 1.68e-119 REF WP_000473497 "hypothetical protein [Escherichia coli]" 95.60 192 99.43 99.43 1.71e-120 REF WP_000473498 "hypothetical protein, partial [Escherichia coli]" 79.12 162 99.31 100.00 1.91e-98 SP P0ADA5 "RecName: Full=Uncharacterized lipoprotein YajG; Flags: Precursor" 95.60 192 100.00 100.00 1.62e-121 SP P0ADA6 "RecName: Full=Uncharacterized lipoprotein YajG; Flags: Precursor" 95.60 192 100.00 100.00 1.62e-121 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 $yajg 'E. coli' 562 Bacteria Escherichia coli coli 'Escherichia coli O6' yajG stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $yajg 'recombinant technology' . Escherichia coli 'BL21 DE3' pET26b 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 $yajg 0.85 mM '[U-100% 13C; U-100% 15N; 80% 2H]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $yajg 1 mM '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $yajg 0.8 mM '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $yajg 0.75 mM '[U-100% 13C; U-100% 15N; 80% 2H]' MES 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMR-Pipe _Saveframe_category software _Name NMRPipe _Version 2.3 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.2.2 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version 2.1 loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_C(CO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_H(C)CH-TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(C)CH-TOCSY' _Sample_label $sample_2 save_ save_3D_(H)CCH-TOCSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY' _Sample_label $sample_2 save_ save_2D_Methyl-selective_HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D Methyl-selective HSQC' _Sample_label $sample_2 save_ save_3D_Methyl-selective-NOESY-HSQC_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D Methyl-selective-NOESY-HSQC' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_HNCACB_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_4 save_ save_2D_1H-15N_HSQC_21 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_4 save_ save_2D_1H-13C_HSQC_22 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_23 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ save_HBCBCGCDHD_24 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCGCDHD _Sample_label $sample_3 save_ save_HBCBCGCDCEHE_25 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCGCDCEHE _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_26 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 175 . mM pH 7.0 0.1 pH pressure 1 . atm temperature 310 1 K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 6.0 0.1 pH pressure 1 . atm temperature 310 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 _Reference_correction_type DSS C 13 'methyl protons' ppm 0.00 . indirect cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 0.251449530 none DSS H 1 'methyl protons' ppm 0.00 internal direct cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 1.000000000 none DSS N 15 'methyl protons' ppm 0.00 . indirect cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 0.101329118 none 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRView stop_ loop_ _Experiment_label '3D HNCO' '2D 1H-15N HSQC' '3D H(C)CH-TOCSY' '2D Methyl-selective HSQC' '3D 1H-15N NOESY' '2D 1H-13C HSQC' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name yajg _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 3 PRO HA H 4.727 0.01 1 2 3 3 PRO HB2 H 2.395 0.01 2 3 3 3 PRO HB3 H 1.902 0.01 2 4 3 3 PRO HD2 H 3.894 0.01 2 5 3 3 PRO HD3 H 3.651 0.01 2 6 3 3 PRO HG2 H 2.059 0.01 2 7 3 3 PRO HG3 H 2.059 0.01 2 8 3 3 PRO CA C 61.748 0.1 1 9 3 3 PRO CB C 30.983 0.1 1 10 3 3 PRO CD C 50.842 0.1 1 11 3 3 PRO CG C 27.491 0.1 1 12 4 4 PRO HA H 4.613 0.01 1 13 4 4 PRO HB2 H 2.276 0.01 2 14 4 4 PRO HB3 H 1.945 0.01 2 15 4 4 PRO HD2 H 3.841 0.01 2 16 4 4 PRO HD3 H 3.671 0.01 2 17 4 4 PRO HG2 H 2.046 0.01 2 18 4 4 PRO HG3 H 2.007 0.01 2 19 4 4 PRO C C 177.170 0.1 1 20 4 4 PRO CA C 62.873 0.1 1 21 4 4 PRO CB C 32.634 0.1 1 22 4 4 PRO CD C 50.621 0.1 1 23 4 4 PRO CG C 27.305 0.1 1 24 5 5 THR H H 8.427 0.01 1 25 5 5 THR HA H 4.410 0.01 1 26 5 5 THR HB H 4.475 0.01 1 27 5 5 THR HG2 H 1.141 0.01 1 28 5 5 THR C C 173.568 0.1 1 29 5 5 THR CA C 61.749 0.1 1 30 5 5 THR CB C 69.392 0.1 1 31 5 5 THR CG2 C 21.469 0.1 1 32 5 5 THR N N 114.497 0.2 1 33 6 6 THR H H 7.603 0.01 1 34 6 6 THR HA H 5.319 0.01 1 35 6 6 THR HB H 3.765 0.01 1 36 6 6 THR HG2 H 0.994 0.01 1 37 6 6 THR C C 174.487 0.1 1 38 6 6 THR CA C 59.015 0.1 1 39 6 6 THR CB C 71.625 0.1 1 40 6 6 THR CG2 C 21.466 0.1 1 41 6 6 THR N N 113.220 0.2 1 42 7 7 ILE H H 8.438 0.01 1 43 7 7 ILE HA H 4.468 0.01 1 44 7 7 ILE HB H 1.683 0.01 1 45 7 7 ILE HD1 H 0.573 0.01 1 46 7 7 ILE HG12 H 1.151 0.01 1 47 7 7 ILE HG13 H 0.905 0.01 1 48 7 7 ILE HG2 H 0.742 0.01 1 49 7 7 ILE C C 174.589 0.1 1 50 7 7 ILE CA C 58.468 0.1 1 51 7 7 ILE CB C 40.965 0.1 1 52 7 7 ILE CD1 C 12.494 0.1 1 53 7 7 ILE CG1 C 25.686 0.1 1 54 7 7 ILE CG2 C 18.183 0.1 1 55 7 7 ILE N N 116.136 0.2 1 56 8 8 GLU H H 8.510 0.01 1 57 8 8 GLU HA H 4.387 0.01 1 58 8 8 GLU HB2 H 1.856 0.01 2 59 8 8 GLU HB3 H 1.856 0.01 2 60 8 8 GLU HG2 H 2.108 0.01 2 61 8 8 GLU HG3 H 2.108 0.01 2 62 8 8 GLU C C 175.460 0.1 1 63 8 8 GLU CA C 55.738 0.1 1 64 8 8 GLU CB C 29.547 0.1 1 65 8 8 GLU CG C 36.067 0.1 1 66 8 8 GLU N N 124.845 0.2 1 67 9 9 VAL H H 8.529 0.01 1 68 9 9 VAL HA H 4.220 0.01 1 69 9 9 VAL HB H 1.939 0.01 1 70 9 9 VAL HG1 H 0.724 0.01 2 71 9 9 VAL HG2 H 0.895 0.01 2 72 9 9 VAL C C 175.435 0.1 1 73 9 9 VAL CA C 62.250 0.1 1 74 9 9 VAL CB C 31.543 0.1 1 75 9 9 VAL CG1 C 22.378 0.1 1 76 9 9 VAL CG2 C 21.377 0.1 1 77 9 9 VAL N N 128.484 0.2 1 78 10 10 SER H H 9.252 0.01 1 79 10 10 SER HA H 4.621 0.01 1 80 10 10 SER HB2 H 3.732 0.01 2 81 10 10 SER HB3 H 3.494 0.01 2 82 10 10 SER CA C 54.911 0.1 1 83 10 10 SER CB C 62.858 0.1 1 84 10 10 SER N N 120.610 0.2 1 85 11 11 PRO HA H 4.284 0.01 1 86 11 11 PRO HB2 H 2.096 0.01 2 87 11 11 PRO HB3 H 1.755 0.01 2 88 11 11 PRO HD2 H 3.652 0.01 2 89 11 11 PRO HD3 H 3.257 0.01 2 90 11 11 PRO HG2 H 1.631 0.01 2 91 11 11 PRO HG3 H 1.528 0.01 2 92 11 11 PRO C C 175.492 0.1 1 93 11 11 PRO CA C 62.014 0.1 1 94 11 11 PRO CB C 32.486 0.1 1 95 11 11 PRO CD C 49.553 0.1 1 96 11 11 PRO CG C 26.153 0.1 1 97 12 12 THR H H 8.023 0.01 1 98 12 12 THR HA H 4.161 0.01 1 99 12 12 THR HB H 4.038 0.01 1 100 12 12 THR HG2 H 1.098 0.01 1 101 12 12 THR C C 174.393 0.1 1 102 12 12 THR CA C 63.389 0.1 1 103 12 12 THR CB C 69.282 0.1 1 104 12 12 THR CG2 C 21.401 0.1 1 105 12 12 THR N N 118.108 0.2 1 106 13 13 ILE H H 8.975 0.01 1 107 13 13 ILE HA H 3.872 0.01 1 108 13 13 ILE HB H 1.871 0.01 1 109 13 13 ILE HD1 H 0.790 0.01 1 110 13 13 ILE HG12 H 1.534 0.01 1 111 13 13 ILE HG13 H 1.010 0.01 1 112 13 13 ILE HG2 H 0.760 0.01 1 113 13 13 ILE C C 174.711 0.1 1 114 13 13 ILE CA C 61.546 0.1 1 115 13 13 ILE CB C 37.908 0.1 1 116 13 13 ILE CD1 C 13.237 0.1 1 117 13 13 ILE CG1 C 27.846 0.1 1 118 13 13 ILE CG2 C 17.482 0.1 1 119 13 13 ILE N N 129.184 0.2 1 120 14 14 THR H H 6.324 0.01 1 121 14 14 THR HA H 4.221 0.01 1 122 14 14 THR HB H 3.640 0.01 1 123 14 14 THR HG2 H 1.199 0.01 1 124 14 14 THR C C 172.492 0.1 1 125 14 14 THR CA C 62.842 0.1 1 126 14 14 THR CB C 70.351 0.1 1 127 14 14 THR CG2 C 21.125 0.1 1 128 14 14 THR N N 124.004 0.2 1 129 15 15 LEU H H 8.558 0.01 1 130 15 15 LEU HA H 4.892 0.01 1 131 15 15 LEU HB2 H 1.704 0.01 2 132 15 15 LEU HB3 H 1.704 0.01 2 133 15 15 LEU HD1 H 0.702 0.01 2 134 15 15 LEU HD2 H 0.895 0.01 2 135 15 15 LEU HG H 1.586 0.01 1 136 15 15 LEU C C 174.945 0.1 1 137 15 15 LEU CA C 51.359 0.1 1 138 15 15 LEU CB C 42.441 0.1 1 139 15 15 LEU CD1 C 23.654 0.1 1 140 15 15 LEU CD2 C 25.312 0.1 1 141 15 15 LEU CG C 27.272 0.1 1 142 15 15 LEU N N 125.059 0.2 1 143 16 16 PRO HA H 4.492 0.01 1 144 16 16 PRO HB2 H 2.534 0.01 2 145 16 16 PRO HB3 H 1.905 0.01 2 146 16 16 PRO HD2 H 3.561 0.01 2 147 16 16 PRO HD3 H 3.505 0.01 2 148 16 16 PRO HG2 H 1.861 0.01 2 149 16 16 PRO HG3 H 1.861 0.01 2 150 16 16 PRO C C 174.713 0.1 1 151 16 16 PRO CA C 61.549 0.1 1 152 16 16 PRO CB C 32.482 0.1 1 153 16 16 PRO CD C 50.729 0.1 1 154 16 16 PRO CG C 28.260 0.1 1 155 17 17 GLN H H 7.914 0.01 1 156 17 17 GLN HA H 4.183 0.01 1 157 17 17 GLN HB2 H 2.064 0.01 2 158 17 17 GLN HB3 H 1.877 0.01 2 159 17 17 GLN HE21 H 6.727 0.01 2 160 17 17 GLN HE22 H 7.520 0.01 2 161 17 17 GLN HG2 H 2.409 0.01 2 162 17 17 GLN HG3 H 2.409 0.01 2 163 17 17 GLN C C 175.426 0.1 1 164 17 17 GLN CA C 54.909 0.1 1 165 17 17 GLN CB C 30.154 0.1 1 166 17 17 GLN CD C 180.472 0.1 1 167 17 17 GLN CG C 34.137 0.1 1 168 17 17 GLN N N 115.293 0.2 1 169 17 17 GLN NE2 N 112.704 0.2 1 170 18 18 GLN H H 8.144 0.01 1 171 18 18 GLN HA H 4.251 0.01 1 172 18 18 GLN HB2 H 2.028 0.01 2 173 18 18 GLN HB3 H 2.028 0.01 2 174 18 18 GLN HE21 H 6.693 0.01 2 175 18 18 GLN HE22 H 7.555 0.01 2 176 18 18 GLN HG2 H 2.204 0.01 2 177 18 18 GLN HG3 H 2.204 0.01 2 178 18 18 GLN C C 176.437 0.1 1 179 18 18 GLN CA C 56.440 0.1 1 180 18 18 GLN CB C 29.629 0.1 1 181 18 18 GLN CD C 179.969 0.1 1 182 18 18 GLN CG C 33.863 0.1 1 183 18 18 GLN N N 121.557 0.2 1 184 18 18 GLN NE2 N 111.059 0.2 1 185 19 19 ASP H H 8.921 0.01 1 186 19 19 ASP HA H 5.121 0.01 1 187 19 19 ASP HB2 H 3.161 0.01 2 188 19 19 ASP HB3 H 2.691 0.01 2 189 19 19 ASP C C 176.405 0.1 1 190 19 19 ASP CA C 50.423 0.1 1 191 19 19 ASP CB C 41.507 0.1 1 192 19 19 ASP N N 127.096 0.2 1 193 20 20 PRO HA H 4.448 0.01 1 194 20 20 PRO HB2 H 2.343 0.01 2 195 20 20 PRO HB3 H 2.042 0.01 2 196 20 20 PRO HD2 H 4.000 0.01 2 197 20 20 PRO HD3 H 4.044 0.01 2 198 20 20 PRO HG2 H 2.021 0.01 2 199 20 20 PRO HG3 H 2.021 0.01 2 200 20 20 PRO C C 177.078 0.1 1 201 20 20 PRO CA C 63.935 0.1 1 202 20 20 PRO CB C 32.247 0.1 1 203 20 20 PRO CD C 51.354 0.1 1 204 20 20 PRO CG C 26.844 0.1 1 205 21 21 SER H H 8.427 0.01 1 206 21 21 SER HA H 4.393 0.01 1 207 21 21 SER HB2 H 3.944 0.01 2 208 21 21 SER HB3 H 3.846 0.01 2 209 21 21 SER C C 174.605 0.1 1 210 21 21 SER CA C 59.017 0.1 1 211 21 21 SER CB C 64.487 0.1 1 212 21 21 SER N N 114.497 0.2 1 213 22 22 LEU H H 7.180 0.01 1 214 22 22 LEU HA H 4.165 0.01 1 215 22 22 LEU HB2 H 1.492 0.01 2 216 22 22 LEU HB3 H 1.446 0.01 2 217 22 22 LEU HD1 H 0.381 0.01 2 218 22 22 LEU HD2 H 0.333 0.01 2 219 22 22 LEU HG H 1.303 0.01 1 220 22 22 LEU C C 176.044 0.1 1 221 22 22 LEU CA C 55.189 0.1 1 222 22 22 LEU CB C 43.156 0.1 1 223 22 22 LEU CD1 C 23.745 0.1 1 224 22 22 LEU CD2 C 23.292 0.1 1 225 22 22 LEU CG C 26.362 0.1 1 226 22 22 LEU N N 123.774 0.2 1 227 23 23 MET H H 8.115 0.01 1 228 23 23 MET HA H 4.568 0.01 1 229 23 23 MET HB2 H 2.056 0.01 2 230 23 23 MET HB3 H 1.958 0.01 2 231 23 23 MET HE H 2.054 0.01 1 232 23 23 MET HG2 H 2.476 0.01 2 233 23 23 MET HG3 H 2.476 0.01 2 234 23 23 MET C C 176.192 0.1 1 235 23 23 MET CA C 55.218 0.1 1 236 23 23 MET CB C 33.615 0.1 1 237 23 23 MET CE C 16.880 0.1 1 238 23 23 MET CG C 31.678 0.1 1 239 23 23 MET N N 122.894 0.2 1 240 24 24 GLY H H 8.545 0.01 1 241 24 24 GLY HA2 H 3.959 0.01 2 242 24 24 GLY HA3 H 3.780 0.01 2 243 24 24 GLY C C 174.217 0.1 1 244 24 24 GLY CA C 46.985 0.1 1 245 24 24 GLY N N 110.469 0.2 1 246 25 25 VAL H H 7.796 0.01 1 247 25 25 VAL HA H 4.279 0.01 1 248 25 25 VAL HB H 2.081 0.01 1 249 25 25 VAL HG1 H 1.004 0.01 2 250 25 25 VAL HG2 H 0.942 0.01 2 251 25 25 VAL C C 174.879 0.1 1 252 25 25 VAL CA C 62.953 0.1 1 253 25 25 VAL CB C 33.438 0.1 1 254 25 25 VAL CG1 C 21.783 0.1 1 255 25 25 VAL CG2 C 21.595 0.1 1 256 25 25 VAL N N 121.623 0.2 1 257 26 26 THR H H 8.228 0.01 1 258 26 26 THR HA H 5.310 0.01 1 259 26 26 THR HB H 3.906 0.01 1 260 26 26 THR HG2 H 0.978 0.01 1 261 26 26 THR C C 173.149 0.1 1 262 26 26 THR CA C 61.749 0.1 1 263 26 26 THR CB C 70.458 0.1 1 264 26 26 THR CG2 C 21.386 0.1 1 265 26 26 THR N N 125.967 0.2 1 266 27 27 VAL H H 8.756 0.01 1 267 27 27 VAL HA H 4.941 0.01 1 268 27 27 VAL HB H 1.811 0.01 1 269 27 27 VAL HG1 H 0.586 0.01 2 270 27 27 VAL HG2 H 0.614 0.01 2 271 27 27 VAL C C 173.842 0.1 1 272 27 27 VAL CA C 58.734 0.1 1 273 27 27 VAL CB C 35.060 0.1 1 274 27 27 VAL CG1 C 21.769 0.1 1 275 27 27 VAL CG2 C 19.251 0.1 1 276 27 27 VAL N N 117.456 0.2 1 277 28 28 SER H H 7.959 0.01 1 278 28 28 SER HA H 5.398 0.01 1 279 28 28 SER HB2 H 3.847 0.01 2 280 28 28 SER HB3 H 3.847 0.01 2 281 28 28 SER C C 174.215 0.1 1 282 28 28 SER CA C 57.104 0.1 1 283 28 28 SER CB C 66.125 0.1 1 284 28 28 SER N N 116.986 0.2 1 285 29 29 ILE H H 8.453 0.01 1 286 29 29 ILE HA H 5.207 0.01 1 287 29 29 ILE HB H 1.645 0.01 1 288 29 29 ILE HD1 H 0.732 0.01 1 289 29 29 ILE HG12 H 1.521 0.01 1 290 29 29 ILE HG13 H 0.985 0.01 1 291 29 29 ILE HG2 H 0.871 0.01 1 292 29 29 ILE C C 174.844 0.1 1 293 29 29 ILE CA C 60.650 0.1 1 294 29 29 ILE CB C 42.092 0.1 1 295 29 29 ILE CD1 C 14.764 0.1 1 296 29 29 ILE CG1 C 28.462 0.1 1 297 29 29 ILE CG2 C 18.427 0.1 1 298 29 29 ILE N N 122.172 0.2 1 299 30 30 ASN H H 8.785 0.01 1 300 30 30 ASN HA H 4.981 0.01 1 301 30 30 ASN HB2 H 2.822 0.01 2 302 30 30 ASN HB3 H 2.667 0.01 2 303 30 30 ASN HD21 H 6.793 0.01 2 304 30 30 ASN HD22 H 7.524 0.01 2 305 30 30 ASN C C 173.665 0.1 1 306 30 30 ASN CA C 52.454 0.1 1 307 30 30 ASN CB C 42.635 0.1 1 308 30 30 ASN CG C 176.702 0.1 1 309 30 30 ASN N N 124.707 0.2 1 310 30 30 ASN ND2 N 112.588 0.2 1 311 31 31 GLY H H 8.493 0.01 1 312 31 31 GLY HA2 H 5.498 0.01 2 313 31 31 GLY HA3 H 3.619 0.01 2 314 31 31 GLY C C 173.131 0.1 1 315 31 31 GLY CA C 44.583 0.1 1 316 31 31 GLY N N 108.603 0.2 1 317 32 32 ALA H H 8.800 0.01 1 318 32 32 ALA HA H 4.468 0.01 1 319 32 32 ALA HB H 1.335 0.01 1 320 32 32 ALA C C 174.583 0.1 1 321 32 32 ALA CA C 52.333 0.1 1 322 32 32 ALA CB C 22.985 0.1 1 323 32 32 ALA N N 120.911 0.2 1 324 33 33 ASP H H 8.911 0.01 1 325 33 33 ASP HA H 4.920 0.01 1 326 33 33 ASP HB2 H 3.119 0.01 2 327 33 33 ASP HB3 H 2.223 0.01 2 328 33 33 ASP C C 176.168 0.1 1 329 33 33 ASP CA C 52.999 0.1 1 330 33 33 ASP CB C 41.858 0.1 1 331 33 33 ASP N N 121.384 0.2 1 332 34 34 GLN H H 8.520 0.01 1 333 34 34 GLN HA H 4.589 0.01 1 334 34 34 GLN HB2 H 2.353 0.01 2 335 34 34 GLN HB3 H 1.524 0.01 2 336 34 34 GLN HE21 H 6.633 0.01 2 337 34 34 GLN HE22 H 7.210 0.01 2 338 34 34 GLN HG2 H 2.323 0.01 2 339 34 34 GLN HG3 H 2.169 0.01 2 340 34 34 GLN C C 176.146 0.1 1 341 34 34 GLN CA C 54.645 0.1 1 342 34 34 GLN CB C 28.810 0.1 1 343 34 34 GLN CD C 179.713 0.1 1 344 34 34 GLN CG C 34.631 0.1 1 345 34 34 GLN N N 123.724 0.2 1 346 34 34 GLN NE2 N 109.756 0.2 1 347 35 35 ARG H H 7.906 0.01 1 348 35 35 ARG HA H 4.600 0.01 1 349 35 35 ARG HB2 H 1.820 0.01 2 350 35 35 ARG HB3 H 1.746 0.01 2 351 35 35 ARG C C 178.144 0.1 1 352 35 35 ARG CA C 57.367 0.1 1 353 35 35 ARG CB C 30.834 0.1 1 354 35 35 ARG N N 121.380 0.2 1 355 36 36 THR H H 8.547 0.01 1 356 36 36 THR HA H 4.027 0.01 1 357 36 36 THR HB H 4.252 0.01 1 358 36 36 THR HG2 H 1.266 0.01 1 359 36 36 THR C C 174.032 0.1 1 360 36 36 THR CA C 64.157 0.1 1 361 36 36 THR CB C 68.815 0.1 1 362 36 36 THR CG2 C 22.029 0.1 1 363 36 36 THR N N 115.288 0.2 1 364 37 37 ASP H H 7.468 0.01 1 365 37 37 ASP HA H 4.707 0.01 1 366 37 37 ASP HB2 H 2.704 0.01 2 367 37 37 ASP HB3 H 2.479 0.01 2 368 37 37 ASP C C 176.045 0.1 1 369 37 37 ASP CA C 52.999 0.1 1 370 37 37 ASP CB C 43.355 0.1 1 371 37 37 ASP N N 120.139 0.2 1 372 38 38 GLN H H 8.631 0.01 1 373 38 38 GLN HA H 4.137 0.01 1 374 38 38 GLN HB2 H 2.245 0.01 2 375 38 38 GLN HB3 H 1.972 0.01 2 376 38 38 GLN HE21 H 6.793 0.01 2 377 38 38 GLN HE22 H 7.431 0.01 2 378 38 38 GLN HG2 H 2.355 0.01 2 379 38 38 GLN HG3 H 2.355 0.01 2 380 38 38 GLN C C 177.072 0.1 1 381 38 38 GLN CA C 56.283 0.1 1 382 38 38 GLN CB C 28.939 0.1 1 383 38 38 GLN CD C 180.312 0.1 1 384 38 38 GLN CG C 34.643 0.1 1 385 38 38 GLN N N 122.221 0.2 1 386 38 38 GLN NE2 N 112.710 0.2 1 387 39 39 ALA H H 8.590 0.01 1 388 39 39 ALA HA H 4.093 0.01 1 389 39 39 ALA HB H 1.478 0.01 1 390 39 39 ALA C C 177.717 0.1 1 391 39 39 ALA CA C 53.814 0.1 1 392 39 39 ALA CB C 20.109 0.1 1 393 39 39 ALA N N 124.197 0.2 1 394 40 40 LEU H H 9.251 0.01 1 395 40 40 LEU HA H 4.688 0.01 1 396 40 40 LEU HB2 H 1.386 0.01 2 397 40 40 LEU HB3 H 1.228 0.01 2 398 40 40 LEU HD1 H 0.739 0.01 2 399 40 40 LEU HD2 H 0.864 0.01 2 400 40 40 LEU HG H 1.796 0.01 1 401 40 40 LEU C C 175.159 0.1 1 402 40 40 LEU CA C 55.311 0.1 1 403 40 40 LEU CB C 43.981 0.1 1 404 40 40 LEU CD1 C 26.550 0.1 1 405 40 40 LEU CD2 C 24.198 0.1 1 406 40 40 LEU CG C 27.288 0.1 1 407 40 40 LEU N N 120.205 0.2 1 408 41 41 ALA H H 7.595 0.01 1 409 41 41 ALA HA H 4.284 0.01 1 410 41 41 ALA HB H 1.268 0.01 1 411 41 41 ALA C C 175.486 0.1 1 412 41 41 ALA CA C 52.174 0.1 1 413 41 41 ALA CB C 22.787 0.1 1 414 41 41 ALA N N 114.544 0.2 1 415 42 42 LYS H H 8.515 0.01 1 416 42 42 LYS HA H 5.323 0.01 1 417 42 42 LYS HB2 H 1.783 0.01 2 418 42 42 LYS HB3 H 1.653 0.01 2 419 42 42 LYS HD2 H 1.652 0.01 2 420 42 42 LYS HD3 H 1.652 0.01 2 421 42 42 LYS HE2 H 2.908 0.01 2 422 42 42 LYS HE3 H 2.908 0.01 2 423 42 42 LYS HG2 H 1.490 0.01 2 424 42 42 LYS HG3 H 1.490 0.01 2 425 42 42 LYS C C 175.487 0.1 1 426 42 42 LYS CA C 56.290 0.1 1 427 42 42 LYS CB C 34.957 0.1 1 428 42 42 LYS CD C 29.785 0.1 1 429 42 42 LYS CE C 42.694 0.1 1 430 42 42 LYS CG C 25.868 0.1 1 431 42 42 LYS N N 121.609 0.2 1 432 43 43 VAL H H 8.827 0.01 1 433 43 43 VAL HA H 4.738 0.01 1 434 43 43 VAL HB H 2.045 0.01 1 435 43 43 VAL HG1 H 0.796 0.01 2 436 43 43 VAL HG2 H 0.710 0.01 2 437 43 43 VAL C C 174.434 0.1 1 438 43 43 VAL CA C 59.206 0.1 1 439 43 43 VAL CB C 35.398 0.1 1 440 43 43 VAL CG1 C 21.719 0.1 1 441 43 43 VAL CG2 C 18.708 0.1 1 442 43 43 VAL N N 117.978 0.2 1 443 44 44 THR H H 8.651 0.01 1 444 44 44 THR HA H 4.987 0.01 1 445 44 44 THR HB H 4.038 0.01 1 446 44 44 THR HG2 H 1.062 0.01 1 447 44 44 THR C C 174.937 0.1 1 448 44 44 THR CA C 62.230 0.1 1 449 44 44 THR CB C 69.048 0.1 1 450 44 44 THR CG2 C 21.077 0.1 1 451 44 44 THR N N 119.971 0.2 1 452 45 45 ARG H H 8.915 0.01 1 453 45 45 ARG HA H 4.449 0.01 1 454 45 45 ARG C C 175.732 0.1 1 455 45 45 ARG CA C 54.526 0.1 1 456 45 45 ARG CB C 32.330 0.1 1 457 45 45 ARG N N 127.521 0.2 1 458 46 46 ASP HA H 4.194 0.01 1 459 46 46 ASP HB2 H 2.862 0.01 2 460 46 46 ASP HB3 H 2.702 0.01 2 461 46 46 ASP C C 175.407 0.1 1 462 46 46 ASP CA C 56.003 0.1 1 463 46 46 ASP CB C 39.393 0.1 1 464 47 47 ASN H H 8.637 0.01 1 465 47 47 ASN HA H 4.171 0.01 1 466 47 47 ASN HB2 H 3.050 0.01 2 467 47 47 ASN HB3 H 2.935 0.01 2 468 47 47 ASN HD21 H 6.827 0.01 2 469 47 47 ASN HD22 H 7.483 0.01 2 470 47 47 ASN C C 173.771 0.1 1 471 47 47 ASN CA C 54.640 0.1 1 472 47 47 ASN CB C 38.239 0.1 1 473 47 47 ASN CG C 178.656 0.1 1 474 47 47 ASN N N 109.888 0.2 1 475 47 47 ASN ND2 N 113.120 0.2 1 476 48 48 GLN H H 7.806 0.01 1 477 48 48 GLN HA H 4.695 0.01 1 478 48 48 GLN HB2 H 2.082 0.01 2 479 48 48 GLN HB3 H 1.963 0.01 2 480 48 48 GLN HE21 H 6.799 0.01 2 481 48 48 GLN HE22 H 7.407 0.01 2 482 48 48 GLN HG2 H 2.370 0.01 2 483 48 48 GLN HG3 H 2.320 0.01 2 484 48 48 GLN C C 174.083 0.1 1 485 48 48 GLN CA C 54.284 0.1 1 486 48 48 GLN CB C 32.219 0.1 1 487 48 48 GLN CD C 180.998 0.1 1 488 48 48 GLN CG C 33.863 0.1 1 489 48 48 GLN N N 118.051 0.2 1 490 48 48 GLN NE2 N 112.008 0.2 1 491 49 49 ILE H H 8.438 0.01 1 492 49 49 ILE HA H 4.454 0.01 1 493 49 49 ILE HB H 1.790 0.01 1 494 49 49 ILE HD1 H 0.789 0.01 1 495 49 49 ILE HG12 H 1.166 0.01 1 496 49 49 ILE HG13 H 1.510 0.01 1 497 49 49 ILE HG2 H 0.759 0.01 1 498 49 49 ILE C C 176.479 0.1 1 499 49 49 ILE CA C 61.079 0.1 1 500 49 49 ILE CB C 37.761 0.1 1 501 49 49 ILE CD1 C 12.251 0.1 1 502 49 49 ILE CG1 C 27.787 0.1 1 503 49 49 ILE CG2 C 17.426 0.1 1 504 49 49 ILE N N 122.309 0.2 1 505 50 50 VAL H H 9.494 0.01 1 506 50 50 VAL HA H 4.282 0.01 1 507 50 50 VAL HB H 1.996 0.01 1 508 50 50 VAL HG1 H 0.865 0.01 2 509 50 50 VAL HG2 H 0.926 0.01 2 510 50 50 VAL C C 174.919 0.1 1 511 50 50 VAL CA C 61.781 0.1 1 512 50 50 VAL CB C 33.771 0.1 1 513 50 50 VAL CG1 C 20.809 0.1 1 514 50 50 VAL CG2 C 21.160 0.1 1 515 50 50 VAL N N 131.750 0.2 1 516 51 51 THR H H 8.494 0.01 1 517 51 51 THR HA H 4.815 0.01 1 518 51 51 THR HB H 4.066 0.01 1 519 51 51 THR HG2 H 1.266 0.01 1 520 51 51 THR C C 173.925 0.1 1 521 51 51 THR CA C 62.347 0.1 1 522 51 51 THR CB C 69.751 0.1 1 523 51 51 THR CG2 C 22.029 0.1 1 524 51 51 THR N N 122.777 0.2 1 525 52 52 LEU H H 8.620 0.01 1 526 52 52 LEU HA H 5.421 0.01 1 527 52 52 LEU HB2 H 1.597 0.01 2 528 52 52 LEU HB3 H 1.197 0.01 2 529 52 52 LEU HD1 H 0.679 0.01 2 530 52 52 LEU HD2 H 0.699 0.01 2 531 52 52 LEU HG H 1.520 0.01 1 532 52 52 LEU C C 176.892 0.1 1 533 52 52 LEU CA C 53.544 0.1 1 534 52 52 LEU CB C 43.153 0.1 1 535 52 52 LEU CD1 C 23.959 0.1 1 536 52 52 LEU CD2 C 25.814 0.1 1 537 52 52 LEU CG C 27.713 0.1 1 538 52 52 LEU N N 126.418 0.2 1 539 53 53 THR H H 8.448 0.01 1 540 53 53 THR HA H 4.660 0.01 1 541 53 53 THR HB H 4.339 0.01 1 542 53 53 THR HG2 H 1.124 0.01 1 543 53 53 THR C C 173.073 0.1 1 544 53 53 THR CA C 59.232 0.1 1 545 53 53 THR CB C 71.862 0.1 1 546 53 53 THR CG2 C 22.003 0.1 1 547 53 53 THR N N 113.169 0.2 1 548 54 54 ALA H H 8.722 0.01 1 549 54 54 ALA HA H 4.667 0.01 1 550 54 54 ALA HB H 1.633 0.01 1 551 54 54 ALA C C 179.292 0.1 1 552 54 54 ALA CA C 52.268 0.1 1 553 54 54 ALA CB C 20.072 0.1 1 554 54 54 ALA N N 122.665 0.2 1 555 55 55 SER H H 8.538 0.01 1 556 55 55 SER HA H 4.038 0.01 1 557 55 55 SER HB2 H 4.061 0.01 2 558 55 55 SER HB3 H 3.660 0.01 2 559 55 55 SER C C 173.241 0.1 1 560 55 55 SER CA C 60.131 0.1 1 561 55 55 SER CB C 63.188 0.1 1 562 55 55 SER N N 115.763 0.2 1 563 56 56 ARG H H 7.282 0.01 1 564 56 56 ARG HA H 4.643 0.01 1 565 56 56 ARG HB2 H 1.854 0.01 2 566 56 56 ARG HB3 H 1.736 0.01 2 567 56 56 ARG HD2 H 3.199 0.01 2 568 56 56 ARG HD3 H 3.165 0.01 2 569 56 56 ARG HG2 H 1.601 0.01 2 570 56 56 ARG HG3 H 1.510 0.01 2 571 56 56 ARG C C 174.062 0.1 1 572 56 56 ARG CA C 54.369 0.1 1 573 56 56 ARG CB C 33.420 0.1 1 574 56 56 ARG CD C 43.730 0.1 1 575 56 56 ARG CG C 27.133 0.1 1 576 56 56 ARG N N 119.445 0.2 1 577 57 57 ASP H H 8.277 0.01 1 578 57 57 ASP HA H 4.451 0.01 1 579 57 57 ASP HB2 H 2.866 0.01 2 580 57 57 ASP HB3 H 2.702 0.01 2 581 57 57 ASP C C 178.517 0.1 1 582 57 57 ASP CA C 55.189 0.1 1 583 57 57 ASP CB C 42.103 0.1 1 584 57 57 ASP N N 120.588 0.2 1 585 58 58 LEU H H 8.909 0.01 1 586 58 58 LEU HA H 4.024 0.01 1 587 58 58 LEU HB2 H 1.830 0.01 2 588 58 58 LEU HB3 H 1.368 0.01 2 589 58 58 LEU HD1 H 0.946 0.01 2 590 58 58 LEU HD2 H 0.851 0.01 2 591 58 58 LEU HG H 1.944 0.01 1 592 58 58 LEU C C 178.756 0.1 1 593 58 58 LEU CA C 57.363 0.1 1 594 58 58 LEU CB C 42.229 0.1 1 595 58 58 LEU CD1 C 26.198 0.1 1 596 58 58 LEU CD2 C 23.487 0.1 1 597 58 58 LEU CG C 27.299 0.1 1 598 58 58 LEU N N 128.764 0.2 1 599 59 59 ARG H H 8.755 0.01 1 600 59 59 ARG HA H 3.710 0.01 1 601 59 59 ARG HB2 H 1.530 0.01 2 602 59 59 ARG HB3 H 1.530 0.01 2 603 59 59 ARG HD2 H 2.886 0.01 2 604 59 59 ARG HD3 H 2.852 0.01 2 605 59 59 ARG HG2 H 0.977 0.01 2 606 59 59 ARG HG3 H 0.977 0.01 2 607 59 59 ARG C C 177.724 0.1 1 608 59 59 ARG CA C 59.560 0.1 1 609 59 59 ARG CB C 28.967 0.1 1 610 59 59 ARG CD C 43.595 0.1 1 611 59 59 ARG CG C 26.197 0.1 1 612 59 59 ARG N N 117.962 0.2 1 613 60 60 PHE H H 7.214 0.01 1 614 60 60 PHE HA H 4.392 0.01 1 615 60 60 PHE HB2 H 3.331 0.01 2 616 60 60 PHE HB3 H 2.952 0.01 2 617 60 60 PHE HD1 H 7.295 0.01 3 618 60 60 PHE HD2 H 7.295 0.01 3 619 60 60 PHE HE1 H 7.452 0.01 3 620 60 60 PHE HE2 H 7.452 0.01 3 621 60 60 PHE C C 178.134 0.1 1 622 60 60 PHE CA C 60.108 0.1 1 623 60 60 PHE CB C 38.341 0.1 1 624 60 60 PHE CD1 C 131.599 0.1 3 625 60 60 PHE CD2 C 131.599 0.1 3 626 60 60 PHE CE1 C 131.607 0.1 3 627 60 60 PHE CE2 C 131.607 0.1 3 628 60 60 PHE N N 117.502 0.2 1 629 61 61 LEU H H 7.358 0.01 1 630 61 61 LEU HA H 4.186 0.01 1 631 61 61 LEU HB2 H 1.818 0.01 2 632 61 61 LEU HB3 H 1.627 0.01 2 633 61 61 LEU HD1 H 0.719 0.01 2 634 61 61 LEU HD2 H 0.863 0.01 2 635 61 61 LEU HG H 1.487 0.01 1 636 61 61 LEU C C 178.360 0.1 1 637 61 61 LEU CA C 58.469 0.1 1 638 61 61 LEU CB C 42.092 0.1 1 639 61 61 LEU CD1 C 25.558 0.1 1 640 61 61 LEU CD2 C 24.198 0.1 1 641 61 61 LEU CG C 27.846 0.1 1 642 61 61 LEU N N 121.290 0.2 1 643 62 62 LEU H H 8.116 0.01 1 644 62 62 LEU HA H 3.897 0.01 1 645 62 62 LEU HB2 H 1.787 0.01 2 646 62 62 LEU HB3 H 1.425 0.01 2 647 62 62 LEU HD1 H 0.801 0.01 2 648 62 62 LEU HD2 H 0.727 0.01 2 649 62 62 LEU HG H 1.799 0.01 1 650 62 62 LEU C C 178.491 0.1 1 651 62 62 LEU CA C 57.107 0.1 1 652 62 62 LEU CB C 39.854 0.1 1 653 62 62 LEU CD1 C 25.347 0.1 1 654 62 62 LEU CD2 C 21.635 0.1 1 655 62 62 LEU CG C 27.672 0.1 1 656 62 62 LEU N N 117.006 0.2 1 657 63 63 GLN H H 7.766 0.01 1 658 63 63 GLN HA H 3.657 0.01 1 659 63 63 GLN HB2 H 2.170 0.01 2 660 63 63 GLN HB3 H 2.170 0.01 2 661 63 63 GLN HE21 H 6.783 0.01 2 662 63 63 GLN HE22 H 7.640 0.01 2 663 63 63 GLN HG2 H 2.181 0.01 2 664 63 63 GLN HG3 H 2.181 0.01 2 665 63 63 GLN C C 177.157 0.1 1 666 63 63 GLN CA C 60.249 0.1 1 667 63 63 GLN CB C 28.928 0.1 1 668 63 63 GLN CD C 179.018 0.1 1 669 63 63 GLN CG C 34.400 0.1 1 670 63 63 GLN N N 118.589 0.2 1 671 63 63 GLN NE2 N 111.183 0.2 1 672 64 64 GLU H H 7.885 0.01 1 673 64 64 GLU HA H 4.076 0.01 1 674 64 64 GLU HB2 H 2.242 0.01 2 675 64 64 GLU HB3 H 2.137 0.01 2 676 64 64 GLU HG2 H 2.420 0.01 2 677 64 64 GLU HG3 H 2.147 0.01 2 678 64 64 GLU C C 179.220 0.1 1 679 64 64 GLU CA C 59.552 0.1 1 680 64 64 GLU CB C 29.490 0.1 1 681 64 64 GLU CG C 36.597 0.1 1 682 64 64 GLU N N 119.477 0.2 1 683 65 65 VAL H H 8.247 0.01 1 684 65 65 VAL HA H 3.410 0.01 1 685 65 65 VAL HB H 2.190 0.01 1 686 65 65 VAL HG1 H 1.019 0.01 2 687 65 65 VAL HG2 H 0.796 0.01 2 688 65 65 VAL C C 177.589 0.1 1 689 65 65 VAL CA C 67.173 0.1 1 690 65 65 VAL CB C 31.664 0.1 1 691 65 65 VAL CG1 C 22.815 0.1 1 692 65 65 VAL CG2 C 21.719 0.1 1 693 65 65 VAL N N 118.774 0.2 1 694 66 66 LEU H H 8.067 0.01 1 695 66 66 LEU HA H 4.104 0.01 1 696 66 66 LEU HB2 H 1.925 0.01 2 697 66 66 LEU HB3 H 1.397 0.01 2 698 66 66 LEU HD1 H 0.862 0.01 2 699 66 66 LEU HD2 H 0.980 0.01 2 700 66 66 LEU HG H 1.569 0.01 1 701 66 66 LEU C C 179.063 0.1 1 702 66 66 LEU CA C 57.384 0.1 1 703 66 66 LEU CB C 41.526 0.1 1 704 66 66 LEU CD1 C 26.790 0.1 1 705 66 66 LEU CD2 C 24.254 0.1 1 706 66 66 LEU CG C 26.752 0.1 1 707 66 66 LEU N N 119.820 0.2 1 708 67 67 GLU H H 8.780 0.01 1 709 67 67 GLU HA H 3.698 0.01 1 710 67 67 GLU HB2 H 2.326 0.01 2 711 67 67 GLU HB3 H 2.128 0.01 2 712 67 67 GLU HG2 H 2.477 0.01 2 713 67 67 GLU HG3 H 2.131 0.01 2 714 67 67 GLU C C 179.774 0.1 1 715 67 67 GLU CA C 60.646 0.1 1 716 67 67 GLU CB C 29.432 0.1 1 717 67 67 GLU CG C 36.932 0.1 1 718 67 67 GLU N N 120.450 0.2 1 719 68 68 LYS H H 8.467 0.01 1 720 68 68 LYS HA H 3.988 0.01 1 721 68 68 LYS HB2 H 1.992 0.01 2 722 68 68 LYS HB3 H 1.752 0.01 2 723 68 68 LYS HD2 H 1.665 0.01 2 724 68 68 LYS HD3 H 1.554 0.01 2 725 68 68 LYS HE2 H 2.948 0.01 2 726 68 68 LYS HE3 H 2.948 0.01 2 727 68 68 LYS HG2 H 1.770 0.01 2 728 68 68 LYS HG3 H 1.492 0.01 2 729 68 68 LYS C C 180.369 0.1 1 730 68 68 LYS CA C 60.142 0.1 1 731 68 68 LYS CB C 32.592 0.1 1 732 68 68 LYS CD C 29.487 0.1 1 733 68 68 LYS CE C 42.147 0.1 1 734 68 68 LYS CG C 26.388 0.1 1 735 68 68 LYS N N 120.569 0.2 1 736 69 69 GLN H H 8.519 0.01 1 737 69 69 GLN HA H 3.902 0.01 1 738 69 69 GLN C C 178.294 0.1 1 739 69 69 GLN CA C 60.370 0.1 1 740 69 69 GLN CB C 28.542 0.1 1 741 69 69 GLN CG C 34.702 0.1 1 742 69 69 GLN N N 117.685 0.2 1 743 70 70 MET H H 8.859 0.01 1 744 70 70 MET HA H 4.612 0.01 1 745 70 70 MET HE H 1.896 0.01 1 746 70 70 MET C C 179.452 0.1 1 747 70 70 MET CA C 57.328 0.1 1 748 70 70 MET CB C 29.450 0.1 1 749 70 70 MET CE C 17.504 0.1 1 750 70 70 MET CG C 33.796 0.1 1 751 70 70 MET N N 116.192 0.2 1 752 71 71 THR H H 8.632 0.01 1 753 71 71 THR HA H 4.571 0.01 1 754 71 71 THR HB H 4.271 0.01 1 755 71 71 THR HG2 H 1.359 0.01 1 756 71 71 THR C C 178.765 0.1 1 757 71 71 THR CA C 65.766 0.1 1 758 71 71 THR CB C 69.047 0.1 1 759 71 71 THR CG2 C 21.387 0.1 1 760 71 71 THR N N 117.666 0.2 1 761 72 72 ALA H H 7.785 0.01 1 762 72 72 ALA HA H 4.120 0.01 1 763 72 72 ALA HB H 1.586 0.01 1 764 72 72 ALA C C 179.239 0.1 1 765 72 72 ALA CA C 55.218 0.1 1 766 72 72 ALA CB C 18.463 0.1 1 767 72 72 ALA N N 126.034 0.2 1 768 73 73 ARG H H 7.371 0.01 1 769 73 73 ARG HA H 4.225 0.01 1 770 73 73 ARG C C 176.405 0.1 1 771 73 73 ARG CA C 59.013 0.1 1 772 73 73 ARG CB C 30.206 0.1 1 773 73 73 ARG N N 113.284 0.2 1 774 74 74 GLY H H 7.383 0.01 1 775 74 74 GLY HA2 H 4.668 0.01 2 776 74 74 GLY HA3 H 3.571 0.01 2 777 74 74 GLY C C 175.026 0.1 1 778 74 74 GLY CA C 44.202 0.1 1 779 74 74 GLY N N 100.998 0.2 1 780 75 75 TYR H H 7.728 0.01 1 781 75 75 TYR HA H 4.350 0.01 1 782 75 75 TYR HB2 H 3.122 0.01 2 783 75 75 TYR HB3 H 2.308 0.01 2 784 75 75 TYR HD1 H 7.285 0.01 3 785 75 75 TYR HD2 H 7.285 0.01 3 786 75 75 TYR HE1 H 6.783 0.01 3 787 75 75 TYR HE2 H 6.783 0.01 3 788 75 75 TYR C C 176.333 0.1 1 789 75 75 TYR CA C 60.108 0.1 1 790 75 75 TYR CB C 38.806 0.1 1 791 75 75 TYR CD1 C 132.790 0.1 3 792 75 75 TYR CD2 C 132.790 0.1 3 793 75 75 TYR CE1 C 118.156 0.1 3 794 75 75 TYR CE2 C 118.156 0.1 3 795 75 75 TYR N N 119.966 0.2 1 796 76 76 MET H H 8.256 0.01 1 797 76 76 MET HA H 4.731 0.01 1 798 76 76 MET HB2 H 2.123 0.01 2 799 76 76 MET HB3 H 2.009 0.01 2 800 76 76 MET HG2 H 2.572 0.01 2 801 76 76 MET HG3 H 2.572 0.01 2 802 76 76 MET C C 175.228 0.1 1 803 76 76 MET CA C 54.750 0.1 1 804 76 76 MET CB C 33.856 0.1 1 805 76 76 MET CG C 32.768 0.1 1 806 76 76 MET N N 118.774 0.2 1 807 77 77 VAL H H 8.453 0.01 1 808 77 77 VAL HA H 5.270 0.01 1 809 77 77 VAL HB H 1.941 0.01 1 810 77 77 VAL HG1 H 0.942 0.01 2 811 77 77 VAL HG2 H 0.835 0.01 2 812 77 77 VAL C C 176.848 0.1 1 813 77 77 VAL CA C 60.845 0.1 1 814 77 77 VAL CB C 33.184 0.1 1 815 77 77 VAL CG1 C 21.595 0.1 1 816 77 77 VAL CG2 C 21.234 0.1 1 817 77 77 VAL N N 122.816 0.2 1 818 78 78 GLY H H 8.552 0.01 1 819 78 78 GLY HA2 H 4.329 0.01 2 820 78 78 GLY HA3 H 4.029 0.01 2 821 78 78 GLY C C 170.971 0.1 1 822 78 78 GLY CA C 45.323 0.1 1 823 78 78 GLY N N 116.259 0.2 1 824 79 79 PRO HA H 4.476 0.01 1 825 79 79 PRO HB2 H 2.292 0.01 2 826 79 79 PRO HB3 H 1.955 0.01 2 827 79 79 PRO HD2 H 3.652 0.01 2 828 79 79 PRO HD3 H 3.545 0.01 2 829 79 79 PRO HG2 H 2.026 0.01 2 830 79 79 PRO HG3 H 2.026 0.01 2 831 79 79 PRO C C 176.702 0.1 1 832 79 79 PRO CA C 63.423 0.1 1 833 79 79 PRO CB C 32.650 0.1 1 834 79 79 PRO CD C 49.719 0.1 1 835 79 79 PRO CG C 26.753 0.1 1 836 80 80 ASN H H 8.322 0.01 1 837 80 80 ASN HA H 4.668 0.01 1 838 80 80 ASN HB2 H 2.853 0.01 2 839 80 80 ASN HB3 H 2.756 0.01 2 840 80 80 ASN HD21 H 6.885 0.01 2 841 80 80 ASN HD22 H 7.532 0.01 2 842 80 80 ASN C C 174.764 0.1 1 843 80 80 ASN CA C 53.261 0.1 1 844 80 80 ASN CB C 38.780 0.1 1 845 80 80 ASN CG C 177.890 0.1 1 846 80 80 ASN N N 114.007 0.2 1 847 80 80 ASN ND2 N 113.247 0.2 1 848 81 81 GLY H H 8.132 0.01 1 849 81 81 GLY HA2 H 4.234 0.01 2 850 81 81 GLY HA3 H 3.678 0.01 2 851 81 81 GLY C C 172.700 0.1 1 852 81 81 GLY CA C 44.803 0.1 1 853 81 81 GLY N N 107.664 0.2 1 854 82 82 PRO HA H 4.476 0.01 1 855 82 82 PRO HB2 H 2.383 0.01 2 856 82 82 PRO HB3 H 2.069 0.01 2 857 82 82 PRO HD2 H 3.665 0.01 2 858 82 82 PRO HD3 H 3.665 0.01 2 859 82 82 PRO HG2 H 2.275 0.01 2 860 82 82 PRO HG3 H 1.960 0.01 2 861 82 82 PRO C C 176.035 0.1 1 862 82 82 PRO CA C 64.359 0.1 1 863 82 82 PRO CB C 32.477 0.1 1 864 82 82 PRO CD C 49.798 0.1 1 865 82 82 PRO CG C 27.332 0.1 1 866 83 83 VAL H H 6.928 0.01 1 867 83 83 VAL HA H 4.703 0.01 1 868 83 83 VAL HB H 1.813 0.01 1 869 83 83 VAL HG1 H 0.887 0.01 2 870 83 83 VAL HG2 H 0.885 0.01 2 871 83 83 VAL C C 172.985 0.1 1 872 83 83 VAL CA C 60.655 0.1 1 873 83 83 VAL CB C 35.268 0.1 1 874 83 83 VAL CG1 C 22.012 0.1 1 875 83 83 VAL CG2 C 21.789 0.1 1 876 83 83 VAL N N 115.141 0.2 1 877 84 84 ASN H H 8.590 0.01 1 878 84 84 ASN HA H 5.354 0.01 1 879 84 84 ASN HB2 H 2.639 0.01 2 880 84 84 ASN HB3 H 2.555 0.01 2 881 84 84 ASN HD21 H 6.702 0.01 2 882 84 84 ASN HD22 H 7.604 0.01 2 883 84 84 ASN C C 173.561 0.1 1 884 84 84 ASN CA C 51.903 0.1 1 885 84 84 ASN CB C 42.855 0.1 1 886 84 84 ASN CG C 176.532 0.1 1 887 84 84 ASN N N 124.197 0.2 1 888 84 84 ASN ND2 N 113.247 0.2 1 889 85 85 LEU H H 9.209 0.01 1 890 85 85 LEU HA H 5.196 0.01 1 891 85 85 LEU HB2 H 1.974 0.01 2 892 85 85 LEU HB3 H 1.084 0.01 2 893 85 85 LEU HD1 H 0.785 0.01 2 894 85 85 LEU HD2 H 0.756 0.01 2 895 85 85 LEU HG H 1.563 0.01 1 896 85 85 LEU C C 174.685 0.1 1 897 85 85 LEU CA C 53.346 0.1 1 898 85 85 LEU CB C 44.425 0.1 1 899 85 85 LEU CD1 C 26.129 0.1 1 900 85 85 LEU CD2 C 24.634 0.1 1 901 85 85 LEU CG C 27.388 0.1 1 902 85 85 LEU N N 124.179 0.2 1 903 86 86 GLN H H 8.900 0.01 1 904 86 86 GLN HA H 5.265 0.01 1 905 86 86 GLN HB2 H 2.035 0.01 2 906 86 86 GLN HB3 H 1.783 0.01 2 907 86 86 GLN HE21 H 6.607 0.01 2 908 86 86 GLN HE22 H 7.067 0.01 2 909 86 86 GLN HG2 H 2.174 0.01 2 910 86 86 GLN HG3 H 2.024 0.01 2 911 86 86 GLN C C 174.561 0.1 1 912 86 86 GLN CA C 53.549 0.1 1 913 86 86 GLN CB C 31.932 0.1 1 914 86 86 GLN CD C 179.808 0.1 1 915 86 86 GLN CG C 34.178 0.1 1 916 86 86 GLN N N 123.116 0.2 1 917 86 86 GLN NE2 N 110.336 0.2 1 918 87 87 ILE H H 8.751 0.01 1 919 87 87 ILE HA H 5.538 0.01 1 920 87 87 ILE HB H 1.582 0.01 1 921 87 87 ILE HD1 H 0.838 0.01 1 922 87 87 ILE HG12 H 1.690 0.01 1 923 87 87 ILE HG13 H 1.690 0.01 1 924 87 87 ILE HG2 H 0.905 0.01 1 925 87 87 ILE C C 173.266 0.1 1 926 87 87 ILE CA C 57.921 0.1 1 927 87 87 ILE CB C 40.746 0.1 1 928 87 87 ILE CD1 C 15.214 0.1 1 929 87 87 ILE CG1 C 29.216 0.1 1 930 87 87 ILE CG2 C 13.942 0.1 1 931 87 87 ILE N N 124.222 0.2 1 932 88 88 ILE H H 9.461 0.01 1 933 88 88 ILE HA H 5.050 0.01 1 934 88 88 ILE HB H 1.659 0.01 1 935 88 88 ILE HD1 H 0.674 0.01 1 936 88 88 ILE HG12 H 1.338 0.01 1 937 88 88 ILE HG13 H 0.834 0.01 1 938 88 88 ILE HG2 H 0.617 0.01 1 939 88 88 ILE C C 176.428 0.1 1 940 88 88 ILE CA C 59.015 0.1 1 941 88 88 ILE CB C 42.628 0.1 1 942 88 88 ILE CD1 C 13.857 0.1 1 943 88 88 ILE CG1 C 27.559 0.1 1 944 88 88 ILE CG2 C 17.558 0.1 1 945 88 88 ILE N N 126.288 0.2 1 946 89 89 VAL H H 8.248 0.01 1 947 89 89 VAL HA H 4.565 0.01 1 948 89 89 VAL HB H 2.259 0.01 1 949 89 89 VAL HG1 H 0.982 0.01 2 950 89 89 VAL HG2 H 0.925 0.01 2 951 89 89 VAL C C 174.027 0.1 1 952 89 89 VAL CA C 61.202 0.1 1 953 89 89 VAL CB C 32.220 0.1 1 954 89 89 VAL CG1 C 20.459 0.1 1 955 89 89 VAL CG2 C 21.161 0.1 1 956 89 89 VAL N N 123.241 0.2 1 957 90 90 SER H H 8.626 0.01 1 958 90 90 SER HA H 4.503 0.01 1 959 90 90 SER HB2 H 3.720 0.01 2 960 90 90 SER HB3 H 3.639 0.01 2 961 90 90 SER C C 174.485 0.1 1 962 90 90 SER CA C 59.612 0.1 1 963 90 90 SER CB C 63.892 0.1 1 964 90 90 SER N N 124.197 0.2 1 965 91 91 GLN H H 8.094 0.01 1 966 91 91 GLN HA H 4.530 0.01 1 967 91 91 GLN HB2 H 2.162 0.01 2 968 91 91 GLN HB3 H 1.970 0.01 2 969 91 91 GLN HE21 H 6.721 0.01 2 970 91 91 GLN HE22 H 7.483 0.01 2 971 91 91 GLN HG2 H 2.364 0.01 2 972 91 91 GLN HG3 H 2.364 0.01 2 973 91 91 GLN C C 174.406 0.1 1 974 91 91 GLN CA C 55.738 0.1 1 975 91 91 GLN CB C 32.794 0.1 1 976 91 91 GLN CD C 179.312 0.1 1 977 91 91 GLN CG C 33.850 0.1 1 978 91 91 GLN N N 119.176 0.2 1 979 91 91 GLN NE2 N 111.248 0.2 1 980 92 92 LEU H H 9.107 0.01 1 981 92 92 LEU HA H 5.158 0.01 1 982 92 92 LEU HB2 H 1.699 0.01 2 983 92 92 LEU HB3 H 1.699 0.01 2 984 92 92 LEU HD1 H 0.981 0.01 2 985 92 92 LEU HD2 H 0.832 0.01 2 986 92 92 LEU HG H 1.414 0.01 1 987 92 92 LEU C C 172.854 0.1 1 988 92 92 LEU CA C 56.821 0.1 1 989 92 92 LEU CB C 42.189 0.1 1 990 92 92 LEU CD1 C 23.648 0.1 1 991 92 92 LEU CD2 C 27.156 0.1 1 992 92 92 LEU CG C 27.846 0.1 1 993 92 92 LEU N N 125.790 0.2 1 994 93 93 TYR H H 8.256 0.01 1 995 93 93 TYR HA H 4.865 0.01 1 996 93 93 TYR HB2 H 3.265 0.01 2 997 93 93 TYR HB3 H 2.662 0.01 2 998 93 93 TYR HD1 H 7.133 0.01 3 999 93 93 TYR HD2 H 7.133 0.01 3 1000 93 93 TYR HE1 H 6.571 0.01 3 1001 93 93 TYR HE2 H 6.571 0.01 3 1002 93 93 TYR C C 172.588 0.1 1 1003 93 93 TYR CA C 58.468 0.1 1 1004 93 93 TYR CB C 42.326 0.1 1 1005 93 93 TYR CD1 C 133.601 0.1 3 1006 93 93 TYR CD2 C 133.601 0.1 3 1007 93 93 TYR CE1 C 117.654 0.1 3 1008 93 93 TYR CE2 C 117.654 0.1 3 1009 93 93 TYR N N 124.378 0.2 1 1010 94 94 ALA H H 8.560 0.01 1 1011 94 94 ALA HA H 4.654 0.01 1 1012 94 94 ALA HB H 0.964 0.01 1 1013 94 94 ALA C C 173.025 0.1 1 1014 94 94 ALA CA C 50.383 0.1 1 1015 94 94 ALA CB C 19.798 0.1 1 1016 94 94 ALA N N 131.185 0.2 1 1017 95 95 ASP H H 8.789 0.01 1 1018 95 95 ASP HA H 4.628 0.01 1 1019 95 95 ASP HB2 H 3.209 0.01 2 1020 95 95 ASP HB3 H 2.728 0.01 2 1021 95 95 ASP C C 175.926 0.1 1 1022 95 95 ASP CA C 53.551 0.1 1 1023 95 95 ASP CB C 42.054 0.1 1 1024 95 95 ASP N N 123.373 0.2 1 1025 96 96 VAL H H 8.547 0.01 1 1026 96 96 VAL HA H 4.489 0.01 1 1027 96 96 VAL HB H 2.191 0.01 1 1028 96 96 VAL HG1 H 0.745 0.01 2 1029 96 96 VAL HG2 H 0.702 0.01 2 1030 96 96 VAL C C 175.705 0.1 1 1031 96 96 VAL CA C 62.249 0.1 1 1032 96 96 VAL CB C 32.481 0.1 1 1033 96 96 VAL CG1 C 20.542 0.1 1 1034 96 96 VAL CG2 C 20.939 0.1 1 1035 96 96 VAL N N 128.904 0.2 1 1036 97 97 SER H H 9.305 0.01 1 1037 97 97 SER HA H 4.842 0.01 1 1038 97 97 SER HB2 H 3.934 0.01 2 1039 97 97 SER HB3 H 3.900 0.01 2 1040 97 97 SER CA C 56.815 0.1 1 1041 97 97 SER CB C 63.417 0.1 1 1042 97 97 SER N N 125.244 0.2 1 1043 98 98 GLN HA H 4.655 0.01 1 1044 98 98 GLN HB2 H 1.909 0.01 2 1045 98 98 GLN HB3 H 1.909 0.01 2 1046 98 98 GLN HG2 H 2.330 0.01 2 1047 98 98 GLN HG3 H 2.330 0.01 2 1048 98 98 GLN C C 175.080 0.1 1 1049 98 98 GLN CA C 55.070 0.1 1 1050 98 98 GLN CB C 31.552 0.1 1 1051 98 98 GLN CG C 34.590 0.1 1 1052 99 99 GLY H H 8.704 0.01 1 1053 99 99 GLY HA2 H 4.741 0.01 2 1054 99 99 GLY HA3 H 4.023 0.01 2 1055 99 99 GLY C C 174.351 0.1 1 1056 99 99 GLY CA C 44.439 0.1 1 1057 99 99 GLY N N 117.431 0.2 1 1058 101 101 VAL HA H 4.503 0.01 1 1059 101 101 VAL HB H 2.287 0.01 1 1060 101 101 VAL HG1 H 0.942 0.01 2 1061 101 101 VAL HG2 H 0.815 0.01 2 1062 101 101 VAL C C 175.446 0.1 1 1063 101 101 VAL CA C 61.079 0.1 1 1064 101 101 VAL CB C 33.419 0.1 1 1065 101 101 VAL CG1 C 21.595 0.1 1 1066 101 101 VAL CG2 C 19.067 0.1 1 1067 102 102 ARG H H 7.453 0.01 1 1068 102 102 ARG HA H 5.040 0.01 1 1069 102 102 ARG HB2 H 1.834 0.01 2 1070 102 102 ARG HB3 H 1.659 0.01 2 1071 102 102 ARG HD2 H 3.042 0.01 2 1072 102 102 ARG HD3 H 2.985 0.01 2 1073 102 102 ARG HG2 H 1.488 0.01 2 1074 102 102 ARG HG3 H 1.442 0.01 2 1075 102 102 ARG C C 173.583 0.1 1 1076 102 102 ARG CA C 54.860 0.1 1 1077 102 102 ARG CB C 34.067 0.1 1 1078 102 102 ARG CD C 43.079 0.1 1 1079 102 102 ARG CG C 26.553 0.1 1 1080 102 102 ARG N N 121.857 0.2 1 1081 103 103 TYR H H 8.322 0.01 1 1082 103 103 TYR HA H 5.471 0.01 1 1083 103 103 TYR HB2 H 3.027 0.01 2 1084 103 103 TYR HB3 H 2.753 0.01 2 1085 103 103 TYR HD1 H 6.762 0.01 3 1086 103 103 TYR HD2 H 6.762 0.01 3 1087 103 103 TYR HE1 H 6.467 0.01 3 1088 103 103 TYR HE2 H 6.467 0.01 3 1089 103 103 TYR C C 173.378 0.1 1 1090 103 103 TYR CA C 55.737 0.1 1 1091 103 103 TYR CB C 41.623 0.1 1 1092 103 103 TYR CD1 C 134.048 0.1 3 1093 103 103 TYR CD2 C 134.048 0.1 3 1094 103 103 TYR CE1 C 117.075 0.1 3 1095 103 103 TYR CE2 C 117.075 0.1 3 1096 103 103 TYR N N 116.234 0.2 1 1097 104 104 ASN H H 8.704 0.01 1 1098 104 104 ASN HA H 5.419 0.01 1 1099 104 104 ASN HB2 H 2.734 0.01 2 1100 104 104 ASN HB3 H 2.581 0.01 2 1101 104 104 ASN HD21 H 6.943 0.01 2 1102 104 104 ASN HD22 H 7.544 0.01 2 1103 104 104 ASN C C 173.990 0.1 1 1104 104 104 ASN CA C 53.144 0.1 1 1105 104 104 ASN CB C 43.156 0.1 1 1106 104 104 ASN CG C 176.578 0.1 1 1107 104 104 ASN N N 117.431 0.2 1 1108 104 104 ASN ND2 N 112.964 0.2 1 1109 105 105 ILE H H 9.331 0.01 1 1110 105 105 ILE HA H 4.725 0.01 1 1111 105 105 ILE HB H 1.786 0.01 1 1112 105 105 ILE HD1 H 0.576 0.01 1 1113 105 105 ILE HG12 H 1.737 0.01 1 1114 105 105 ILE HG13 H 0.810 0.01 1 1115 105 105 ILE HG2 H 0.637 0.01 1 1116 105 105 ILE C C 174.127 0.1 1 1117 105 105 ILE CA C 61.201 0.1 1 1118 105 105 ILE CB C 40.156 0.1 1 1119 105 105 ILE CD1 C 13.869 0.1 1 1120 105 105 ILE CG1 C 27.327 0.1 1 1121 105 105 ILE CG2 C 18.215 0.1 1 1122 105 105 ILE N N 122.729 0.2 1 1123 106 106 ALA H H 8.517 0.01 1 1124 106 106 ALA HA H 5.317 0.01 1 1125 106 106 ALA HB H 1.495 0.01 1 1126 106 106 ALA C C 177.208 0.1 1 1127 106 106 ALA CA C 51.171 0.1 1 1128 106 106 ALA CB C 20.451 0.1 1 1129 106 106 ALA N N 131.948 0.2 1 1130 107 107 THR H H 8.997 0.01 1 1131 107 107 THR HA H 5.571 0.01 1 1132 107 107 THR HB H 4.052 0.01 1 1133 107 107 THR HG2 H 1.095 0.01 1 1134 107 107 THR C C 174.268 0.1 1 1135 107 107 THR CA C 61.202 0.1 1 1136 107 107 THR CB C 70.217 0.1 1 1137 107 107 THR CG2 C 22.628 0.1 1 1138 107 107 THR N N 121.297 0.2 1 1139 108 108 LYS H H 8.364 0.01 1 1140 108 108 LYS HA H 5.244 0.01 1 1141 108 108 LYS HB2 H 1.853 0.01 2 1142 108 108 LYS HB3 H 1.731 0.01 2 1143 108 108 LYS HD2 H 1.700 0.01 2 1144 108 108 LYS HD3 H 1.700 0.01 2 1145 108 108 LYS HE2 H 2.979 0.01 2 1146 108 108 LYS HE3 H 2.979 0.01 2 1147 108 108 LYS HG2 H 1.501 0.01 2 1148 108 108 LYS HG3 H 1.403 0.01 2 1149 108 108 LYS C C 174.160 0.1 1 1150 108 108 LYS CA C 55.734 0.1 1 1151 108 108 LYS CB C 37.169 0.1 1 1152 108 108 LYS CD C 29.543 0.1 1 1153 108 108 LYS CE C 42.601 0.1 1 1154 108 108 LYS CG C 25.114 0.1 1 1155 108 108 LYS N N 124.659 0.2 1 1156 109 109 ALA H H 8.407 0.01 1 1157 109 109 ALA HA H 5.132 0.01 1 1158 109 109 ALA HB H 1.305 0.01 1 1159 109 109 ALA C C 176.479 0.1 1 1160 109 109 ALA CA C 50.815 0.1 1 1161 109 109 ALA CB C 23.754 0.1 1 1162 109 109 ALA N N 120.558 0.2 1 1163 110 110 ASP H H 8.920 0.01 1 1164 110 110 ASP HA H 5.238 0.01 1 1165 110 110 ASP HB2 H 2.816 0.01 2 1166 110 110 ASP HB3 H 2.471 0.01 2 1167 110 110 ASP C C 174.750 0.1 1 1168 110 110 ASP CA C 54.724 0.1 1 1169 110 110 ASP CB C 43.844 0.1 1 1170 110 110 ASP N N 122.148 0.2 1 1171 111 111 ILE H H 9.150 0.01 1 1172 111 111 ILE HA H 5.101 0.01 1 1173 111 111 ILE HB H 1.960 0.01 1 1174 111 111 ILE HD1 H 0.876 0.01 1 1175 111 111 ILE HG12 H 1.649 0.01 1 1176 111 111 ILE HG13 H 1.342 0.01 1 1177 111 111 ILE HG2 H 0.914 0.01 1 1178 111 111 ILE C C 173.772 0.1 1 1179 111 111 ILE CA C 59.017 0.1 1 1180 111 111 ILE CB C 41.235 0.1 1 1181 111 111 ILE CD1 C 12.683 0.1 1 1182 111 111 ILE CG1 C 28.494 0.1 1 1183 111 111 ILE CG2 C 17.770 0.1 1 1184 111 111 ILE N N 128.075 0.2 1 1185 112 112 ALA H H 9.268 0.01 1 1186 112 112 ALA HA H 5.628 0.01 1 1187 112 112 ALA HB H 1.235 0.01 1 1188 112 112 ALA C C 176.920 0.1 1 1189 112 112 ALA CA C 50.155 0.1 1 1190 112 112 ALA CB C 21.770 0.1 1 1191 112 112 ALA N N 128.503 0.2 1 1192 113 113 ILE H H 8.972 0.01 1 1193 113 113 ILE HA H 5.145 0.01 1 1194 113 113 ILE HB H 1.750 0.01 1 1195 113 113 ILE HD1 H 1.020 0.01 1 1196 113 113 ILE HG12 H 1.860 0.01 1 1197 113 113 ILE HG13 H 1.017 0.01 1 1198 113 113 ILE HG2 H 0.788 0.01 1 1199 113 113 ILE C C 174.844 0.1 1 1200 113 113 ILE CA C 60.654 0.1 1 1201 113 113 ILE CB C 40.973 0.1 1 1202 113 113 ILE CD1 C 14.223 0.1 1 1203 113 113 ILE CG1 C 27.859 0.1 1 1204 113 113 ILE CG2 C 17.812 0.1 1 1205 113 113 ILE N N 118.351 0.2 1 1206 114 114 ILE H H 9.021 0.01 1 1207 114 114 ILE HA H 4.724 0.01 1 1208 114 114 ILE HB H 1.720 0.01 1 1209 114 114 ILE HD1 H 0.737 0.01 1 1210 114 114 ILE HG12 H 1.422 0.01 1 1211 114 114 ILE HG13 H 1.138 0.01 1 1212 114 114 ILE HG2 H 0.695 0.01 1 1213 114 114 ILE C C 176.060 0.1 1 1214 114 114 ILE CA C 60.506 0.1 1 1215 114 114 ILE CB C 39.876 0.1 1 1216 114 114 ILE CD1 C 14.081 0.1 1 1217 114 114 ILE CG1 C 27.323 0.1 1 1218 114 114 ILE CG2 C 17.227 0.1 1 1219 114 114 ILE N N 125.915 0.2 1 1220 115 115 ALA H H 9.454 0.01 1 1221 115 115 ALA HA H 5.415 0.01 1 1222 115 115 ALA HB H 0.956 0.01 1 1223 115 115 ALA C C 175.120 0.1 1 1224 115 115 ALA CA C 50.347 0.1 1 1225 115 115 ALA CB C 21.696 0.1 1 1226 115 115 ALA N N 134.224 0.2 1 1227 116 116 THR H H 9.083 0.01 1 1228 116 116 THR HA H 4.950 0.01 1 1229 116 116 THR HB H 4.048 0.01 1 1230 116 116 THR HG2 H 1.190 0.01 1 1231 116 116 THR C C 174.233 0.1 1 1232 116 116 THR CA C 61.202 0.1 1 1233 116 116 THR CB C 70.689 0.1 1 1234 116 116 THR CG2 C 21.475 0.1 1 1235 116 116 THR N N 116.661 0.2 1 1236 117 117 ALA H H 9.226 0.01 1 1237 117 117 ALA HA H 5.272 0.01 1 1238 117 117 ALA HB H 1.517 0.01 1 1239 117 117 ALA C C 178.876 0.1 1 1240 117 117 ALA CA C 50.587 0.1 1 1241 117 117 ALA CB C 21.410 0.1 1 1242 117 117 ALA N N 129.387 0.2 1 1243 118 118 GLN H H 8.639 0.01 1 1244 118 118 GLN HA H 4.106 0.01 1 1245 118 118 GLN HB2 H 2.180 0.01 2 1246 118 118 GLN HB3 H 2.180 0.01 2 1247 118 118 GLN HE21 H 6.745 0.01 2 1248 118 118 GLN HE22 H 7.406 0.01 2 1249 118 118 GLN HG2 H 2.562 0.01 2 1250 118 118 GLN HG3 H 2.472 0.01 2 1251 118 118 GLN C C 176.537 0.1 1 1252 118 118 GLN CA C 58.575 0.1 1 1253 118 118 GLN CB C 28.373 0.1 1 1254 118 118 GLN CD C 179.940 0.1 1 1255 118 118 GLN CG C 33.861 0.1 1 1256 118 118 GLN N N 122.441 0.2 1 1257 118 118 GLN NE2 N 111.754 0.2 1 1258 119 119 ASN H H 7.655 0.01 1 1259 119 119 ASN HA H 4.483 0.01 1 1260 119 119 ASN HB2 H 3.213 0.01 2 1261 119 119 ASN HB3 H 2.788 0.01 2 1262 119 119 ASN C C 176.224 0.1 1 1263 119 119 ASN CA C 52.999 0.1 1 1264 119 119 ASN CB C 37.509 0.1 1 1265 119 119 ASN N N 114.009 0.2 1 1266 120 120 GLY H H 8.030 0.01 1 1267 120 120 GLY HA2 H 4.444 0.01 2 1268 120 120 GLY HA3 H 3.627 0.01 2 1269 120 120 GLY C C 174.947 0.1 1 1270 120 120 GLY CA C 44.801 0.1 1 1271 120 120 GLY N N 108.077 0.2 1 1272 121 121 ASN H H 8.217 0.01 1 1273 121 121 ASN HA H 4.817 0.01 1 1274 121 121 ASN HB2 H 2.845 0.01 2 1275 121 121 ASN HB3 H 2.760 0.01 2 1276 121 121 ASN C C 174.366 0.1 1 1277 121 121 ASN CA C 53.789 0.1 1 1278 121 121 ASN CB C 38.138 0.1 1 1279 121 121 ASN N N 121.011 0.2 1 1280 122 122 LYS H H 8.459 0.01 1 1281 122 122 LYS HA H 5.615 0.01 1 1282 122 122 LYS HB2 H 1.731 0.01 2 1283 122 122 LYS HB3 H 1.694 0.01 2 1284 122 122 LYS HD2 H 1.560 0.01 2 1285 122 122 LYS HD3 H 1.560 0.01 2 1286 122 122 LYS HE2 H 2.867 0.01 2 1287 122 122 LYS HE3 H 2.867 0.01 2 1288 122 122 LYS HG2 H 1.415 0.01 2 1289 122 122 LYS HG3 H 1.338 0.01 2 1290 122 122 LYS C C 175.142 0.1 1 1291 122 122 LYS CA C 55.193 0.1 1 1292 122 122 LYS CB C 37.148 0.1 1 1293 122 122 LYS CD C 29.669 0.1 1 1294 122 122 LYS CE C 42.066 0.1 1 1295 122 122 LYS CG C 24.304 0.1 1 1296 122 122 LYS N N 120.588 0.2 1 1297 123 123 MET H H 8.560 0.01 1 1298 123 123 MET C C 172.954 0.1 1 1299 123 123 MET CA C 55.009 0.1 1 1300 123 123 MET CB C 34.576 0.1 1 1301 123 123 MET CG C 31.677 0.1 1 1302 123 123 MET N N 121.992 0.2 1 1303 124 124 THR H H 8.245 0.01 1 1304 124 124 THR HA H 5.226 0.01 1 1305 124 124 THR HB H 3.820 0.01 1 1306 124 124 THR HG2 H 0.997 0.01 1 1307 124 124 THR C C 173.320 0.1 1 1308 124 124 THR CA C 61.202 0.1 1 1309 124 124 THR CB C 71.158 0.1 1 1310 124 124 THR CG2 C 20.873 0.1 1 1311 124 124 THR N N 119.754 0.2 1 1312 125 125 LYS H H 8.828 0.01 1 1313 125 125 LYS HA H 4.495 0.01 1 1314 125 125 LYS HB2 H 1.573 0.01 2 1315 125 125 LYS HB3 H 1.412 0.01 2 1316 125 125 LYS HD2 H 1.631 0.01 2 1317 125 125 LYS HD3 H 1.631 0.01 2 1318 125 125 LYS HE2 H 2.785 0.01 2 1319 125 125 LYS HE3 H 2.785 0.01 2 1320 125 125 LYS HG2 H 1.192 0.01 2 1321 125 125 LYS HG3 H 0.844 0.01 2 1322 125 125 LYS C C 173.254 0.1 1 1323 125 125 LYS CA C 54.093 0.1 1 1324 125 125 LYS CB C 36.057 0.1 1 1325 125 125 LYS CD C 27.855 0.1 1 1326 125 125 LYS CE C 42.063 0.1 1 1327 125 125 LYS CG C 24.042 0.1 1 1328 125 125 LYS N N 126.788 0.2 1 1329 126 126 ASN H H 8.105 0.01 1 1330 126 126 ASN HA H 5.268 0.01 1 1331 126 126 ASN HB2 H 2.452 0.01 2 1332 126 126 ASN HB3 H 2.341 0.01 2 1333 126 126 ASN C C 173.506 0.1 1 1334 126 126 ASN CA C 53.542 0.1 1 1335 126 126 ASN CB C 40.942 0.1 1 1336 126 126 ASN N N 121.810 0.2 1 1337 127 127 TYR H H 9.619 0.01 1 1338 127 127 TYR HA H 4.653 0.01 1 1339 127 127 TYR HB2 H 3.054 0.01 2 1340 127 127 TYR HB3 H 2.808 0.01 2 1341 127 127 TYR HD1 H 7.142 0.01 3 1342 127 127 TYR HD2 H 7.142 0.01 3 1343 127 127 TYR HE1 H 6.606 0.01 3 1344 127 127 TYR HE2 H 6.606 0.01 3 1345 127 127 TYR C C 173.790 0.1 1 1346 127 127 TYR CA C 57.924 0.1 1 1347 127 127 TYR CB C 39.510 0.1 1 1348 127 127 TYR CD1 C 133.927 0.1 3 1349 127 127 TYR CD2 C 133.927 0.1 3 1350 127 127 TYR CE1 C 118.958 0.1 3 1351 127 127 TYR CE2 C 118.958 0.1 3 1352 127 127 TYR N N 123.708 0.2 1 1353 128 128 ARG H H 8.413 0.01 1 1354 128 128 ARG HA H 5.489 0.01 1 1355 128 128 ARG HB2 H 1.897 0.01 2 1356 128 128 ARG HB3 H 1.681 0.01 2 1357 128 128 ARG HD2 H 3.115 0.01 2 1358 128 128 ARG HD3 H 3.115 0.01 2 1359 128 128 ARG HG2 H 1.642 0.01 2 1360 128 128 ARG HG3 H 1.490 0.01 2 1361 128 128 ARG C C 176.087 0.1 1 1362 128 128 ARG CA C 54.283 0.1 1 1363 128 128 ARG CB C 33.457 0.1 1 1364 128 128 ARG CD C 43.908 0.1 1 1365 128 128 ARG CG C 28.173 0.1 1 1366 128 128 ARG N N 121.582 0.2 1 1367 129 129 ALA H H 8.484 0.01 1 1368 129 129 ALA HA H 4.763 0.01 1 1369 129 129 ALA HB H 1.522 0.01 1 1370 129 129 ALA C C 175.534 0.1 1 1371 129 129 ALA CA C 51.991 0.1 1 1372 129 129 ALA CB C 23.942 0.1 1 1373 129 129 ALA N N 122.515 0.2 1 1374 130 130 SER H H 8.371 0.01 1 1375 130 130 SER HA H 5.397 0.01 1 1376 130 130 SER HB2 H 3.866 0.01 2 1377 130 130 SER HB3 H 3.866 0.01 2 1378 130 130 SER C C 173.138 0.1 1 1379 130 130 SER CA C 57.106 0.1 1 1380 130 130 SER CB C 66.134 0.1 1 1381 130 130 SER N N 113.770 0.2 1 1382 131 131 TYR H H 8.618 0.01 1 1383 131 131 TYR HA H 4.894 0.01 1 1384 131 131 TYR HB2 H 3.076 0.01 2 1385 131 131 TYR HB3 H 2.635 0.01 2 1386 131 131 TYR HD1 H 7.137 0.01 3 1387 131 131 TYR HD2 H 7.137 0.01 3 1388 131 131 TYR HE1 H 6.783 0.01 3 1389 131 131 TYR HE2 H 6.783 0.01 3 1390 131 131 TYR C C 173.522 0.1 1 1391 131 131 TYR CA C 57.806 0.1 1 1392 131 131 TYR CB C 42.092 0.1 1 1393 131 131 TYR CD1 C 132.732 0.1 3 1394 131 131 TYR CD2 C 132.732 0.1 3 1395 131 131 TYR CE1 C 118.157 0.1 3 1396 131 131 TYR CE2 C 118.157 0.1 3 1397 131 131 TYR N N 124.180 0.2 1 1398 132 132 ASN H H 8.371 0.01 1 1399 132 132 ASN HA H 5.828 0.01 1 1400 132 132 ASN HB2 H 2.650 0.01 2 1401 132 132 ASN HB3 H 2.544 0.01 2 1402 132 132 ASN HD21 H 6.819 0.01 2 1403 132 132 ASN HD22 H 7.473 0.01 2 1404 132 132 ASN C C 173.066 0.1 1 1405 132 132 ASN CA C 51.928 0.1 1 1406 132 132 ASN CB C 41.600 0.1 1 1407 132 132 ASN CG C 176.973 0.1 1 1408 132 132 ASN N N 128.616 0.2 1 1409 132 132 ASN ND2 N 113.110 0.2 1 1410 133 133 VAL H H 8.584 0.01 1 1411 133 133 VAL HA H 4.427 0.01 1 1412 133 133 VAL HB H 1.891 0.01 1 1413 133 133 VAL HG1 H 1.000 0.01 2 1414 133 133 VAL HG2 H 0.903 0.01 2 1415 133 133 VAL C C 172.254 0.1 1 1416 133 133 VAL CA C 60.610 0.1 1 1417 133 133 VAL CB C 35.294 0.1 1 1418 133 133 VAL CG1 C 21.214 0.1 1 1419 133 133 VAL CG2 C 20.316 0.1 1 1420 133 133 VAL N N 120.318 0.2 1 1421 134 134 GLU H H 8.043 0.01 1 1422 134 134 GLU HA H 5.016 0.01 1 1423 134 134 GLU HB2 H 1.885 0.01 2 1424 134 134 GLU HB3 H 1.885 0.01 2 1425 134 134 GLU HG2 H 2.083 0.01 2 1426 134 134 GLU HG3 H 2.083 0.01 2 1427 134 134 GLU C C 175.289 0.1 1 1428 134 134 GLU CA C 54.096 0.1 1 1429 134 134 GLU CB C 33.459 0.1 1 1430 134 134 GLU CG C 36.229 0.1 1 1431 134 134 GLU N N 124.961 0.2 1 1432 135 135 GLY H H 7.180 0.01 1 1433 135 135 GLY HA2 H 4.041 0.01 2 1434 135 135 GLY HA3 H 3.196 0.01 2 1435 135 135 GLY C C 170.749 0.1 1 1436 135 135 GLY CA C 44.724 0.1 1 1437 135 135 GLY N N 109.242 0.2 1 1438 136 136 ALA H H 7.960 0.01 1 1439 136 136 ALA HA H 4.222 0.01 1 1440 136 136 ALA HB H 1.077 0.01 1 1441 136 136 ALA C C 176.266 0.1 1 1442 136 136 ALA CA C 51.359 0.1 1 1443 136 136 ALA CB C 20.737 0.1 1 1444 136 136 ALA N N 121.077 0.2 1 1445 137 137 PHE H H 7.818 0.01 1 1446 137 137 PHE HA H 3.774 0.01 1 1447 137 137 PHE HB2 H 3.355 0.01 2 1448 137 137 PHE HB3 H 3.355 0.01 2 1449 137 137 PHE HD1 H 7.324 0.01 3 1450 137 137 PHE HD2 H 7.324 0.01 3 1451 137 137 PHE HE1 H 7.439 0.01 3 1452 137 137 PHE HE2 H 7.439 0.01 3 1453 137 137 PHE C C 173.816 0.1 1 1454 137 137 PHE CA C 59.559 0.1 1 1455 137 137 PHE CB C 35.995 0.1 1 1456 137 137 PHE CD1 C 131.137 0.1 3 1457 137 137 PHE CD2 C 131.137 0.1 3 1458 137 137 PHE CE1 C 131.717 0.1 3 1459 137 137 PHE CE2 C 131.717 0.1 3 1460 137 137 PHE N N 115.366 0.2 1 1461 138 138 GLN H H 7.548 0.01 1 1462 138 138 GLN HA H 4.513 0.01 1 1463 138 138 GLN HB2 H 1.927 0.01 2 1464 138 138 GLN HB3 H 1.927 0.01 2 1465 138 138 GLN HE21 H 6.793 0.01 2 1466 138 138 GLN HE22 H 7.525 0.01 2 1467 138 138 GLN HG2 H 2.288 0.01 2 1468 138 138 GLN HG3 H 2.288 0.01 2 1469 138 138 GLN C C 176.386 0.1 1 1470 138 138 GLN CA C 54.752 0.1 1 1471 138 138 GLN CB C 30.265 0.1 1 1472 138 138 GLN CD C 180.907 0.1 1 1473 138 138 GLN CG C 34.004 0.1 1 1474 138 138 GLN N N 117.553 0.2 1 1475 138 138 GLN NE2 N 112.696 0.2 1 1476 139 139 ALA H H 8.202 0.01 1 1477 139 139 ALA HA H 3.522 0.01 1 1478 139 139 ALA HB H 0.432 0.01 1 1479 139 139 ALA C C 177.091 0.1 1 1480 139 139 ALA CA C 52.289 0.1 1 1481 139 139 ALA CB C 16.796 0.1 1 1482 139 139 ALA N N 127.108 0.2 1 1483 140 140 SER H H 9.111 0.01 1 1484 140 140 SER C C 174.995 0.1 1 1485 140 140 SER CA C 56.074 0.1 1 1486 140 140 SER CB C 66.300 0.1 1 1487 140 140 SER N N 122.242 0.2 1 1488 141 141 ASN HA H 4.048 0.01 1 1489 141 141 ASN HB2 H 2.871 0.01 2 1490 141 141 ASN HB3 H 2.690 0.01 2 1491 141 141 ASN CA C 56.281 0.1 1 1492 141 141 ASN CB C 36.595 0.1 1 1493 142 142 LYS HA H 4.040 0.01 1 1494 142 142 LYS HB2 H 1.855 0.01 2 1495 142 142 LYS HB3 H 1.735 0.01 2 1496 142 142 LYS HD2 H 1.714 0.01 2 1497 142 142 LYS HD3 H 1.582 0.01 2 1498 142 142 LYS HE2 H 3.026 0.01 2 1499 142 142 LYS HE3 H 3.026 0.01 2 1500 142 142 LYS HG2 H 1.510 0.01 2 1501 142 142 LYS HG3 H 1.407 0.01 2 1502 142 142 LYS C C 177.545 0.1 1 1503 142 142 LYS CA C 59.018 0.1 1 1504 142 142 LYS CB C 32.374 0.1 1 1505 142 142 LYS CD C 28.928 0.1 1 1506 142 142 LYS CE C 42.351 0.1 1 1507 142 142 LYS CG C 24.788 0.1 1 1508 143 143 ASN H H 7.773 0.01 1 1509 143 143 ASN HA H 4.566 0.01 1 1510 143 143 ASN HB2 H 2.635 0.01 2 1511 143 143 ASN HB3 H 2.635 0.01 2 1512 143 143 ASN C C 178.007 0.1 1 1513 143 143 ASN CA C 56.588 0.1 1 1514 143 143 ASN CB C 39.405 0.1 1 1515 143 143 ASN N N 117.186 0.2 1 1516 144 144 ILE H H 7.535 0.01 1 1517 144 144 ILE HA H 3.361 0.01 1 1518 144 144 ILE HB H 1.658 0.01 1 1519 144 144 ILE HD1 H 0.488 0.01 1 1520 144 144 ILE HG12 H 1.498 0.01 1 1521 144 144 ILE HG13 H 0.519 0.01 1 1522 144 144 ILE HG2 H 0.498 0.01 1 1523 144 144 ILE C C 176.717 0.1 1 1524 144 144 ILE CA C 65.575 0.1 1 1525 144 144 ILE CB C 38.035 0.1 1 1526 144 144 ILE CD1 C 14.305 0.1 1 1527 144 144 ILE CG1 C 29.458 0.1 1 1528 144 144 ILE CG2 C 17.162 0.1 1 1529 144 144 ILE N N 119.533 0.2 1 1530 145 145 ALA H H 8.615 0.01 1 1531 145 145 ALA HA H 3.738 0.01 1 1532 145 145 ALA HB H 1.462 0.01 1 1533 145 145 ALA C C 179.333 0.1 1 1534 145 145 ALA CA C 55.684 0.1 1 1535 145 145 ALA CB C 17.989 0.1 1 1536 145 145 ALA N N 123.222 0.2 1 1537 146 146 ASP H H 8.761 0.01 1 1538 146 146 ASP HA H 4.368 0.01 1 1539 146 146 ASP HB2 H 2.785 0.01 2 1540 146 146 ASP HB3 H 2.695 0.01 2 1541 146 146 ASP C C 179.219 0.1 1 1542 146 146 ASP CA C 57.369 0.1 1 1543 146 146 ASP CB C 39.876 0.1 1 1544 146 146 ASP N N 116.676 0.2 1 1545 147 147 ALA H H 7.412 0.01 1 1546 147 147 ALA HA H 4.113 0.01 1 1547 147 147 ALA HB H 1.635 0.01 1 1548 147 147 ALA C C 179.235 0.1 1 1549 147 147 ALA CA C 55.565 0.1 1 1550 147 147 ALA CB C 17.879 0.1 1 1551 147 147 ALA N N 124.168 0.2 1 1552 148 148 VAL H H 8.105 0.01 1 1553 148 148 VAL HA H 3.427 0.01 1 1554 148 148 VAL HB H 2.075 0.01 1 1555 148 148 VAL HG1 H 0.838 0.01 2 1556 148 148 VAL HG2 H 0.831 0.01 2 1557 148 148 VAL C C 177.587 0.1 1 1558 148 148 VAL CA C 66.470 0.1 1 1559 148 148 VAL CB C 31.677 0.1 1 1560 148 148 VAL CG1 C 22.900 0.1 1 1561 148 148 VAL CG2 C 21.959 0.1 1 1562 148 148 VAL N N 119.306 0.2 1 1563 149 149 ASN H H 9.096 0.01 1 1564 149 149 ASN HA H 4.266 0.01 1 1565 149 149 ASN HB2 H 2.862 0.01 2 1566 149 149 ASN HB3 H 2.535 0.01 2 1567 149 149 ASN C C 179.194 0.1 1 1568 149 149 ASN CA C 56.439 0.1 1 1569 149 149 ASN CB C 37.568 0.1 1 1570 149 149 ASN N N 118.098 0.2 1 1571 150 150 SER H H 8.018 0.01 1 1572 150 150 SER HA H 4.058 0.01 1 1573 150 150 SER HB2 H 3.497 0.01 2 1574 150 150 SER HB3 H 3.301 0.01 2 1575 150 150 SER C C 176.314 0.1 1 1576 150 150 SER CA C 62.842 0.1 1 1577 150 150 SER CB C 62.295 0.1 1 1578 150 150 SER N N 118.544 0.2 1 1579 151 151 VAL H H 7.566 0.01 1 1580 151 151 VAL HA H 4.039 0.01 1 1581 151 151 VAL HB H 2.045 0.01 1 1582 151 151 VAL HG1 H 0.940 0.01 2 1583 151 151 VAL HG2 H 0.984 0.01 2 1584 151 151 VAL C C 178.488 0.1 1 1585 151 151 VAL CA C 65.065 0.1 1 1586 151 151 VAL CB C 31.941 0.1 1 1587 151 151 VAL CG1 C 23.526 0.1 1 1588 151 151 VAL CG2 C 22.449 0.1 1 1589 151 151 VAL N N 117.433 0.2 1 1590 152 152 LEU H H 7.854 0.01 1 1591 152 152 LEU HA H 4.100 0.01 1 1592 152 152 LEU HB2 H 1.868 0.01 2 1593 152 152 LEU HB3 H 1.237 0.01 2 1594 152 152 LEU HD1 H 0.749 0.01 2 1595 152 152 LEU HD2 H 0.747 0.01 2 1596 152 152 LEU HG H 1.705 0.01 1 1597 152 152 LEU C C 178.512 0.1 1 1598 152 152 LEU CA C 57.374 0.1 1 1599 152 152 LEU CB C 42.795 0.1 1 1600 152 152 LEU CD1 C 25.604 0.1 1 1601 152 152 LEU CD2 C 23.189 0.1 1 1602 152 152 LEU CG C 26.849 0.1 1 1603 152 152 LEU N N 122.241 0.2 1 1604 153 153 THR H H 8.651 0.01 1 1605 153 153 THR HA H 3.787 0.01 1 1606 153 153 THR HB H 4.556 0.01 1 1607 153 153 THR HG2 H 1.289 0.01 1 1608 153 153 THR C C 177.074 0.1 1 1609 153 153 THR CA C 68.040 0.1 1 1610 153 153 THR CB C 69.513 0.1 1 1611 153 153 THR CG2 C 21.398 0.1 1 1612 153 153 THR N N 119.971 0.2 1 1613 154 154 ASP H H 7.847 0.01 1 1614 154 154 ASP HA H 4.454 0.01 1 1615 154 154 ASP HB2 H 2.787 0.01 2 1616 154 154 ASP HB3 H 2.693 0.01 2 1617 154 154 ASP C C 178.806 0.1 1 1618 154 154 ASP CA C 57.957 0.1 1 1619 154 154 ASP CB C 39.981 0.1 1 1620 154 154 ASP N N 123.243 0.2 1 1621 155 155 THR H H 7.799 0.01 1 1622 155 155 THR HA H 4.115 0.01 1 1623 155 155 THR HB H 4.011 0.01 1 1624 155 155 THR HG2 H 1.149 0.01 1 1625 155 155 THR C C 176.812 0.1 1 1626 155 155 THR CA C 66.670 0.1 1 1627 155 155 THR CB C 69.049 0.1 1 1628 155 155 THR CG2 C 22.954 0.1 1 1629 155 155 THR N N 115.001 0.2 1 1630 156 156 ILE H H 8.367 0.01 1 1631 156 156 ILE HA H 3.792 0.01 1 1632 156 156 ILE HB H 1.995 0.01 1 1633 156 156 ILE HD1 H 0.625 0.01 1 1634 156 156 ILE HG12 H 1.855 0.01 1 1635 156 156 ILE HG13 H 0.802 0.01 1 1636 156 156 ILE HG2 H 1.068 0.01 1 1637 156 156 ILE C C 178.374 0.1 1 1638 156 156 ILE CA C 65.031 0.1 1 1639 156 156 ILE CB C 38.237 0.1 1 1640 156 156 ILE CD1 C 14.521 0.1 1 1641 156 156 ILE CG1 C 29.698 0.1 1 1642 156 156 ILE CG2 C 19.764 0.1 1 1643 156 156 ILE N N 122.380 0.2 1 1644 157 157 ALA H H 8.098 0.01 1 1645 157 157 ALA HA H 3.983 0.01 1 1646 157 157 ALA HB H 1.544 0.01 1 1647 157 157 ALA C C 180.504 0.1 1 1648 157 157 ALA CA C 55.456 0.1 1 1649 157 157 ALA CB C 17.430 0.1 1 1650 157 157 ALA N N 125.549 0.2 1 1651 158 158 ASP H H 7.932 0.01 1 1652 158 158 ASP HA H 4.525 0.01 1 1653 158 158 ASP HB2 H 3.000 0.01 2 1654 158 158 ASP HB3 H 3.000 0.01 2 1655 158 158 ASP C C 179.284 0.1 1 1656 158 158 ASP CA C 57.798 0.1 1 1657 158 158 ASP CB C 40.685 0.1 1 1658 158 158 ASP N N 122.114 0.2 1 1659 159 159 MET H H 8.032 0.01 1 1660 159 159 MET HA H 3.434 0.01 1 1661 159 159 MET HB2 H 1.850 0.01 2 1662 159 159 MET HB3 H 1.769 0.01 2 1663 159 159 MET HE H 1.670 0.01 1 1664 159 159 MET HG2 H 1.831 0.01 2 1665 159 159 MET HG3 H 1.319 0.01 2 1666 159 159 MET C C 178.523 0.1 1 1667 159 159 MET CA C 59.671 0.1 1 1668 159 159 MET CB C 33.776 0.1 1 1669 159 159 MET CE C 15.532 0.1 1 1670 159 159 MET CG C 29.897 0.1 1 1671 159 159 MET N N 118.913 0.2 1 1672 160 160 SER H H 7.602 0.01 1 1673 160 160 SER HA H 3.703 0.01 1 1674 160 160 SER HB2 H 3.914 0.01 2 1675 160 160 SER HB3 H 3.504 0.01 2 1676 160 160 SER C C 175.631 0.1 1 1677 160 160 SER CA C 60.892 0.1 1 1678 160 160 SER CB C 63.420 0.1 1 1679 160 160 SER N N 112.503 0.2 1 1680 161 161 GLN H H 7.582 0.01 1 1681 161 161 GLN HA H 4.147 0.01 1 1682 161 161 GLN HB2 H 2.235 0.01 2 1683 161 161 GLN HB3 H 2.235 0.01 2 1684 161 161 GLN HE21 H 6.831 0.01 2 1685 161 161 GLN HE22 H 7.463 0.01 2 1686 161 161 GLN HG2 H 2.663 0.01 2 1687 161 161 GLN HG3 H 2.507 0.01 2 1688 161 161 GLN C C 176.691 0.1 1 1689 161 161 GLN CA C 56.821 0.1 1 1690 161 161 GLN CB C 29.207 0.1 1 1691 161 161 GLN CD C 180.546 0.1 1 1692 161 161 GLN CG C 33.885 0.1 1 1693 161 161 GLN N N 116.885 0.2 1 1694 161 161 GLN NE2 N 111.769 0.2 1 1695 162 162 ASP H H 7.604 0.01 1 1696 162 162 ASP HA H 4.733 0.01 1 1697 162 162 ASP HB2 H 3.279 0.01 2 1698 162 162 ASP HB3 H 2.991 0.01 2 1699 162 162 ASP C C 175.501 0.1 1 1700 162 162 ASP CA C 54.668 0.1 1 1701 162 162 ASP CB C 42.060 0.1 1 1702 162 162 ASP N N 119.311 0.2 1 1703 163 163 THR HG2 H 1.417 0.01 1 1704 163 163 THR CA C 61.451 0.1 1 1705 163 163 THR CB C 69.435 0.1 1 1706 163 163 THR CG2 C 22.251 0.1 1 1707 164 164 SER C C 176.876 0.1 1 1708 164 164 SER CA C 62.597 0.1 1 1709 165 165 ILE H H 7.412 0.01 1 1710 165 165 ILE HA H 4.016 0.01 1 1711 165 165 ILE HB H 1.949 0.01 1 1712 165 165 ILE HD1 H 0.665 0.01 1 1713 165 165 ILE HG12 H 1.472 0.01 1 1714 165 165 ILE HG13 H 1.418 0.01 1 1715 165 165 ILE HG2 H 0.790 0.01 1 1716 165 165 ILE C C 177.378 0.1 1 1717 165 165 ILE CA C 62.290 0.1 1 1718 165 165 ILE CB C 36.049 0.1 1 1719 165 165 ILE CD1 C 9.498 0.1 1 1720 165 165 ILE CG1 C 27.282 0.1 1 1721 165 165 ILE CG2 C 17.457 0.1 1 1722 165 165 ILE N N 124.168 0.2 1 1723 166 166 HIS H H 7.912 0.01 1 1724 166 166 HIS HA H 4.558 0.01 1 1725 166 166 HIS HB2 H 3.184 0.01 2 1726 166 166 HIS HB3 H 3.028 0.01 2 1727 166 166 HIS HD2 H 7.160 0.01 1 1728 166 166 HIS C C 176.500 0.1 1 1729 166 166 HIS CA C 59.293 0.1 1 1730 166 166 HIS CB C 31.778 0.1 1 1731 166 166 HIS CD2 C 117.956 0.1 1 1732 166 166 HIS N N 120.784 0.2 1 1733 167 167 GLU H H 8.711 0.01 1 1734 167 167 GLU HA H 3.737 0.01 1 1735 167 167 GLU HB2 H 2.053 0.01 2 1736 167 167 GLU HB3 H 1.995 0.01 2 1737 167 167 GLU HG2 H 2.463 0.01 2 1738 167 167 GLU HG3 H 2.374 0.01 2 1739 167 167 GLU C C 178.912 0.1 1 1740 167 167 GLU CA C 59.595 0.1 1 1741 167 167 GLU CB C 29.195 0.1 1 1742 167 167 GLU CG C 36.700 0.1 1 1743 167 167 GLU N N 115.604 0.2 1 1744 168 168 PHE H H 7.608 0.01 1 1745 168 168 PHE HA H 4.116 0.01 1 1746 168 168 PHE HB2 H 3.484 0.01 2 1747 168 168 PHE HB3 H 3.320 0.01 2 1748 168 168 PHE HD1 H 7.055 0.01 3 1749 168 168 PHE HD2 H 7.055 0.01 3 1750 168 168 PHE HE1 H 6.976 0.01 3 1751 168 168 PHE HE2 H 6.976 0.01 3 1752 168 168 PHE C C 178.789 0.1 1 1753 168 168 PHE CA C 62.104 0.1 1 1754 168 168 PHE CB C 39.513 0.1 1 1755 168 168 PHE CD1 C 132.256 0.1 3 1756 168 168 PHE CD2 C 132.256 0.1 3 1757 168 168 PHE CE1 C 131.221 0.1 3 1758 168 168 PHE CE2 C 131.221 0.1 3 1759 168 168 PHE N N 120.844 0.2 1 1760 169 169 ILE H H 8.656 0.01 1 1761 169 169 ILE HA H 3.283 0.01 1 1762 169 169 ILE HB H 2.404 0.01 1 1763 169 169 ILE HD1 H 0.649 0.01 1 1764 169 169 ILE HG12 H 2.116 0.01 1 1765 169 169 ILE HG13 H 2.116 0.01 1 1766 169 169 ILE HG2 H 0.722 0.01 1 1767 169 169 ILE C C 178.065 0.1 1 1768 169 169 ILE CA C 66.754 0.1 1 1769 169 169 ILE CB C 37.142 0.1 1 1770 169 169 ILE CD1 C 15.346 0.1 1 1771 169 169 ILE CG1 C 28.399 0.1 1 1772 169 169 ILE CG2 C 19.588 0.1 1 1773 169 169 ILE N N 122.274 0.2 1 1774 170 170 LYS H H 7.944 0.01 1 1775 170 170 LYS HA H 3.702 0.01 1 1776 170 170 LYS HB2 H 1.665 0.01 2 1777 170 170 LYS HB3 H 1.665 0.01 2 1778 170 170 LYS HD2 H 1.399 0.01 2 1779 170 170 LYS HD3 H 1.274 0.01 2 1780 170 170 LYS HE2 H 2.657 0.01 2 1781 170 170 LYS HE3 H 2.412 0.01 2 1782 170 170 LYS HG2 H 1.512 0.01 2 1783 170 170 LYS HG3 H 1.181 0.01 2 1784 170 170 LYS C C 179.536 0.1 1 1785 170 170 LYS CA C 60.817 0.1 1 1786 170 170 LYS CB C 32.249 0.1 1 1787 170 170 LYS CD C 29.409 0.1 1 1788 170 170 LYS CE C 41.386 0.1 1 1789 170 170 LYS CG C 25.455 0.1 1 1790 170 170 LYS N N 117.428 0.2 1 1791 171 171 GLN H H 7.812 0.01 1 1792 171 171 GLN HA H 4.026 0.01 1 1793 171 171 GLN HB2 H 1.975 0.01 2 1794 171 171 GLN HB3 H 1.970 0.01 2 1795 171 171 GLN HE21 H 6.712 0.01 2 1796 171 171 GLN HE22 H 7.367 0.01 2 1797 171 171 GLN HG2 H 2.412 0.01 2 1798 171 171 GLN HG3 H 2.344 0.01 2 1799 171 171 GLN C C 177.385 0.1 1 1800 171 171 GLN CA C 57.921 0.1 1 1801 171 171 GLN CB C 28.954 0.1 1 1802 171 171 GLN CD C 180.298 0.1 1 1803 171 171 GLN CG C 33.889 0.1 1 1804 171 171 GLN N N 115.135 0.2 1 1805 171 171 GLN NE2 N 111.314 0.2 1 1806 172 172 ASN H H 7.362 0.01 1 1807 172 172 ASN HA H 4.610 0.01 1 1808 172 172 ASN HB2 H 2.398 0.01 2 1809 172 172 ASN HB3 H 1.851 0.01 2 1810 172 172 ASN C C 174.221 0.1 1 1811 172 172 ASN CA C 55.005 0.1 1 1812 172 172 ASN CB C 39.996 0.1 1 1813 172 172 ASN N N 115.361 0.2 1 1814 173 173 ALA H H 7.844 0.01 1 1815 173 173 ALA HA H 4.273 0.01 1 1816 173 173 ALA HB H 1.408 0.01 1 1817 173 173 ALA C C 176.922 0.1 1 1818 173 173 ALA CA C 53.108 0.1 1 1819 173 173 ALA CB C 19.421 0.1 1 1820 173 173 ALA N N 122.222 0.2 1 1821 174 174 ARG H H 7.600 0.01 1 1822 174 174 ARG HA H 4.327 0.01 1 1823 174 174 ARG HB2 H 1.851 0.01 2 1824 174 174 ARG HB3 H 1.753 0.01 2 1825 174 174 ARG HD2 H 3.175 0.01 2 1826 174 174 ARG HD3 H 3.175 0.01 2 1827 174 174 ARG HG2 H 1.613 0.01 2 1828 174 174 ARG HG3 H 1.526 0.01 2 1829 174 174 ARG C C 176.046 0.1 1 1830 174 174 ARG CA C 55.914 0.1 1 1831 174 174 ARG CB C 30.523 0.1 1 1832 174 174 ARG CD C 43.611 0.1 1 1833 174 174 ARG CG C 27.087 0.1 1 1834 174 174 ARG N N 117.215 0.2 1 1835 175 175 LEU H H 8.096 0.01 1 1836 175 175 LEU HA H 4.325 0.01 1 1837 175 175 LEU HB2 H 1.612 0.01 2 1838 175 175 LEU HB3 H 1.533 0.01 2 1839 175 175 LEU HD1 H 0.910 0.01 2 1840 175 175 LEU HD2 H 0.850 0.01 2 1841 175 175 LEU HG H 1.621 0.01 1 1842 175 175 LEU C C 177.321 0.1 1 1843 175 175 LEU CA C 55.218 0.1 1 1844 175 175 LEU CB C 42.326 0.1 1 1845 175 175 LEU CD1 C 25.213 0.1 1 1846 175 175 LEU CD2 C 23.575 0.1 1 1847 175 175 LEU CG C 27.089 0.1 1 1848 175 175 LEU N N 123.508 0.2 1 1849 176 176 GLU H H 8.340 0.01 1 1850 176 176 GLU C C 176.172 0.1 1 1851 176 176 GLU CA C 56.141 0.1 1 1852 176 176 GLU CB C 29.652 0.1 1 1853 176 176 GLU N N 121.240 0.2 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_4 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name yajg _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 46 46 ASP H H 9.232 0.01 1 2 46 46 ASP N N 125.538 0.2 1 3 98 98 GLN H H 9.070 0.01 1 4 98 98 GLN N N 128.083 0.2 1 5 101 101 VAL H H 8.346 0.01 1 6 101 101 VAL N N 109.826 0.2 1 7 141 141 ASN H H 9.123 0.01 1 8 141 141 ASN N N 120.107 0.2 1 9 142 142 LYS H H 7.941 0.01 1 10 142 142 LYS N N 120.171 0.2 1 11 163 163 THR H H 8.654 0.01 1 12 163 163 THR N N 117.010 0.2 1 13 164 164 SER H H 8.659 0.01 1 14 164 164 SER N N 120.430 0.2 1 stop_ save_