data_6793 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Bacillus Subtilis Protein Ysne: The Northeast Structural Genomics Consortium Target SR220 ; _BMRB_accession_number 6793 _BMRB_flat_file_name bmr6793.str _Entry_type original _Submission_date 2005-08-29 _Accession_date 2005-08-29 _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 Liu Gaohua . . 2 Ma Li-chung . . 3 Shen Yang . . 4 Xiao Rong . . 5 Acton Thomas A. . 6 Montelione Gaetano T. . 7 Szyperski Thomas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 866 "13C chemical shifts" 491 "15N chemical shifts" 143 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-09-06 original author . stop_ _Original_release_date 2006-09-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Bacillus Subtilis Protein Ysne: The Northeast Structural Genomics Consortium Target SR220 ; _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 Liu Gaohua . . 2 Ma Yang . . 3 Shen Yang . . 4 Xiao Rong . . 5 Acton Thomas A. . 6 Montelione Gaetano T. . 7 Szyperski Thomas . . stop_ _Journal_abbreviation Proteins _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 . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Protein Ysne' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Protein Ysne' $Protein_Ysne stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details ; Bacillus Subtilis Protein Ysne: The Northeast Structural Genomics Consortium Target Sr220 ; save_ ######################## # Monomeric polymers # ######################## save_Protein_Ysne _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Protein Ysne' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 160 _Mol_residue_sequence ; MHIKIDDLTGRQVVSLVNEH LHSMTLMSPPESIHALGLEK LRGPEITFWSAWEGDELAGC GALKELDTRHGEIKSMRTSA SHLRKGVAKQVLQHIIEEAE KRGYERLSLETGSMASFEPA RKLYESFGFQYCEPFADYGE DPNSVFMTKKLLEHHHHHHE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 HIS 3 ILE 4 LYS 5 ILE 6 ASP 7 ASP 8 LEU 9 THR 10 GLY 11 ARG 12 GLN 13 VAL 14 VAL 15 SER 16 LEU 17 VAL 18 ASN 19 GLU 20 HIS 21 LEU 22 HIS 23 SER 24 MET 25 THR 26 LEU 27 MET 28 SER 29 PRO 30 PRO 31 GLU 32 SER 33 ILE 34 HIS 35 ALA 36 LEU 37 GLY 38 LEU 39 GLU 40 LYS 41 LEU 42 ARG 43 GLY 44 PRO 45 GLU 46 ILE 47 THR 48 PHE 49 TRP 50 SER 51 ALA 52 TRP 53 GLU 54 GLY 55 ASP 56 GLU 57 LEU 58 ALA 59 GLY 60 CYS 61 GLY 62 ALA 63 LEU 64 LYS 65 GLU 66 LEU 67 ASP 68 THR 69 ARG 70 HIS 71 GLY 72 GLU 73 ILE 74 LYS 75 SER 76 MET 77 ARG 78 THR 79 SER 80 ALA 81 SER 82 HIS 83 LEU 84 ARG 85 LYS 86 GLY 87 VAL 88 ALA 89 LYS 90 GLN 91 VAL 92 LEU 93 GLN 94 HIS 95 ILE 96 ILE 97 GLU 98 GLU 99 ALA 100 GLU 101 LYS 102 ARG 103 GLY 104 TYR 105 GLU 106 ARG 107 LEU 108 SER 109 LEU 110 GLU 111 THR 112 GLY 113 SER 114 MET 115 ALA 116 SER 117 PHE 118 GLU 119 PRO 120 ALA 121 ARG 122 LYS 123 LEU 124 TYR 125 GLU 126 SER 127 PHE 128 GLY 129 PHE 130 GLN 131 TYR 132 CYS 133 GLU 134 PRO 135 PHE 136 ALA 137 ASP 138 TYR 139 GLY 140 GLU 141 ASP 142 PRO 143 ASN 144 SER 145 VAL 146 PHE 147 MET 148 THR 149 LYS 150 LYS 151 LEU 152 LEU 153 GLU 154 HIS 155 HIS 156 HIS 157 HIS 158 HIS 159 HIS 160 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-12-20 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 1YX0 "Solution Structure Of Bacillus Subtilis Protein Ysne: The Northeast Structural Genomics Consortium Target Sr220" 99.38 159 100.00 100.00 1.54e-112 DBJ BAM54082 "acetyltransferase [Synechocystis sp. PCC 6803]" 94.38 151 100.00 100.00 1.70e-106 DBJ BAM58911 "acetyltransferase [Bacillus subtilis BEST7003]" 94.38 151 100.00 100.00 1.70e-106 EMBL CAA99559 "hypothetical protein [Bacillus subtilis]" 94.38 151 100.00 100.00 1.70e-106 EMBL CAB14793 "putative indole acetic acid acetyltransferase [Bacillus subtilis subsp. subtilis str. 168]" 94.38 151 100.00 100.00 1.70e-106 EMBL CEI58063 "N-acetyltransferase YsnE [Bacillus subtilis]" 94.38 151 100.00 100.00 1.70e-106 EMBL CEJ78485 "N-acetyltransferase YsnE [Bacillus sp.]" 94.38 151 100.00 100.00 1.70e-106 GB AFQ58679 "Putative acetyltransferase [Bacillus subtilis QB928]" 94.38 151 100.00 100.00 1.70e-106 GB AGA22206 "Hypothetical protein YsnE [Bacillus subtilis subsp. subtilis str. BSP1]" 94.38 151 98.01 98.68 1.89e-103 GB AGG62239 "putative acetyltransferase YsnE [Bacillus subtilis subsp. subtilis 6051-HGW]" 94.38 151 100.00 100.00 1.70e-106 GB AHA78735 "putative N-acetyltransferase YsnE [Bacillus subtilis PY79]" 94.38 151 100.00 100.00 1.70e-106 GB AIC41296 "acetyltransferase [Bacillus subtilis subsp. subtilis str. JH642 substr. AG174]" 94.38 151 100.00 100.00 1.70e-106 REF NP_390711 "N-acetyltransferase YsnE [Bacillus subtilis subsp. subtilis str. 168]" 94.38 151 100.00 100.00 1.70e-106 REF WP_004399128 "N-acetyltransferase [Bacillus subtilis]" 94.38 151 100.00 100.00 1.70e-106 REF WP_015251526 "hypothetical protein [Bacillus subtilis]" 94.38 151 98.01 98.68 1.89e-103 REF YP_006630934 "acetyltransferase [Bacillus subtilis QB928]" 94.38 151 100.00 100.00 1.70e-106 REF YP_007208662 "hypothetical protein A7A1_1588 [Bacillus subtilis subsp. subtilis str. BSP1]" 94.38 151 98.01 98.68 1.89e-103 SP P94562 "RecName: Full=Uncharacterized N-acetyltransferase YsnE [Bacillus subtilis subsp. subtilis str. 168]" 94.38 151 100.00 100.00 1.70e-106 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Protein_Ysne 'Bacillus subtilis' 1423 Eubacteria 'Not applicable' Bacillus subtilis 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 $Protein_Ysne 'enzymatic semisynthesis' . . . . . 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 $Protein_Ysne 0.5 mM '[U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _Sample_label . save_ save_GFT_(4,3)D_HNNCABCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D HNNCABCA' _Sample_label . save_ save_GFT_(4,3)D_CABCA(co)NHN_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D CABCA(co)NHN' _Sample_label . save_ save_GFT_(4,3)D_HABCAB(co)NHN_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D HABCAB(co)NHN' _Sample_label . save_ save_GFT_(4,3)D_HCCH_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D HCCH' _Sample_label . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 pH temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'Protein Ysne' _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 2 2 HIS HA H 5.01 0.02 1 2 2 2 HIS HB2 H 3.12 0.02 2 3 2 2 HIS HB3 H 3.25 0.02 2 4 2 2 HIS CA C 54.8 0.5 1 5 2 2 HIS CB C 32.0 0.5 1 6 3 3 ILE H H 8.61 0.02 1 7 3 3 ILE HA H 4.94 0.02 1 8 3 3 ILE HB H 1.11 0.02 1 9 3 3 ILE HG12 H 0.49 0.02 2 10 3 3 ILE HG13 H 1.35 0.02 2 11 3 3 ILE HG2 H 0.13 0.02 1 12 3 3 ILE HD1 H 0.44 0.02 1 13 3 3 ILE CA C 60.6 0.5 1 14 3 3 ILE CB C 38.6 0.5 1 15 3 3 ILE CG1 C 27.9 0.5 1 16 3 3 ILE CG2 C 17.1 0.5 1 17 3 3 ILE CD1 C 13.4 0.5 1 18 3 3 ILE N N 127.4 0.5 1 19 4 4 LYS H H 9.31 0.02 1 20 4 4 LYS HA H 5.04 0.02 1 21 4 4 LYS HB2 H 1.75 0.02 2 22 4 4 LYS HB3 H 1.90 0.02 2 23 4 4 LYS HG2 H 1.40 0.02 2 24 4 4 LYS HG3 H 1.49 0.02 2 25 4 4 LYS HD2 H 1.51 0.02 1 26 4 4 LYS HD3 H 1.51 0.02 1 27 4 4 LYS HE2 H 2.66 0.02 2 28 4 4 LYS HE3 H 2.79 0.02 2 29 4 4 LYS CA C 53.8 0.5 1 30 4 4 LYS CB C 35.9 0.5 1 31 4 4 LYS CG C 23.0 0.5 1 32 4 4 LYS CD C 29.2 0.5 1 33 4 4 LYS CE C 41.8 0.5 1 34 4 4 LYS N N 125.1 0.5 1 35 5 5 ILE H H 8.53 0.02 1 36 5 5 ILE HA H 4.15 0.02 1 37 5 5 ILE HB H 1.66 0.02 1 38 5 5 ILE HG12 H 0.59 0.02 2 39 5 5 ILE HG13 H 1.56 0.02 2 40 5 5 ILE HG2 H 0.77 0.02 1 41 5 5 ILE HD1 H 0.67 0.02 1 42 5 5 ILE CA C 62.0 0.5 1 43 5 5 ILE CB C 37.3 0.5 1 44 5 5 ILE CG1 C 28.3 0.5 1 45 5 5 ILE CG2 C 16.8 0.5 1 46 5 5 ILE CD1 C 12.6 0.5 1 47 5 5 ILE N N 123.4 0.5 1 48 6 6 ASP H H 9.04 0.02 1 49 6 6 ASP HA H 5.02 0.02 1 50 6 6 ASP HB2 H 2.68 0.02 2 51 6 6 ASP HB3 H 2.91 0.02 2 52 6 6 ASP CA C 53.0 0.5 1 53 6 6 ASP CB C 46.2 0.5 1 54 6 6 ASP N N 131.7 0.5 1 55 7 7 ASP H H 8.40 0.02 1 56 7 7 ASP HA H 4.54 0.02 1 57 7 7 ASP HB2 H 2.60 0.02 2 58 7 7 ASP HB3 H 2.99 0.02 2 59 7 7 ASP CA C 53.3 0.5 1 60 7 7 ASP CB C 40.4 0.5 1 61 7 7 ASP N N 124.0 0.5 1 62 9 9 THR HA H 4.30 0.02 1 63 9 9 THR HB H 4.14 0.02 1 64 9 9 THR HG2 H 1.07 0.02 1 65 9 9 THR CA C 62.0 0.5 1 66 9 9 THR CB C 70.7 0.5 1 67 9 9 THR CG2 C 21.0 0.5 1 68 10 10 GLY H H 8.01 0.02 1 69 10 10 GLY HA2 H 4.01 0.02 2 70 10 10 GLY HA3 H 4.13 0.02 2 71 10 10 GLY CA C 45.3 0.5 1 72 10 10 GLY N N 106.1 0.5 1 73 11 11 ARG H H 9.10 0.02 1 74 11 11 ARG HA H 3.97 0.02 1 75 11 11 ARG HB2 H 1.85 0.02 1 76 11 11 ARG HB3 H 1.85 0.02 1 77 11 11 ARG HG2 H 1.70 0.02 2 78 11 11 ARG HG3 H 1.68 0.02 2 79 11 11 ARG HD2 H 3.21 0.02 2 80 11 11 ARG HD3 H 3.22 0.02 2 81 11 11 ARG CA C 59.0 0.5 1 82 11 11 ARG CB C 30.2 0.5 1 83 11 11 ARG CG C 27.0 0.5 1 84 11 11 ARG CD C 43.1 0.5 1 85 11 11 ARG N N 113.3 0.5 1 86 12 12 GLN H H 8.71 0.02 1 87 12 12 GLN HA H 4.13 0.02 1 88 12 12 GLN HB2 H 2.14 0.02 2 89 12 12 GLN HB3 H 2.27 0.02 2 90 12 12 GLN HG2 H 2.57 0.02 1 91 12 12 GLN HG3 H 2.57 0.02 1 92 12 12 GLN HE21 H 7.84 0.02 2 93 12 12 GLN HE22 H 7.27 0.02 2 94 12 12 GLN CA C 59.5 0.5 1 95 12 12 GLN CB C 28.3 0.5 1 96 12 12 GLN CG C 34.6 0.5 1 97 12 12 GLN N N 117.6 0.5 1 98 12 12 GLN NE2 N 112.8 0.5 1 99 13 13 VAL H H 8.27 0.02 1 100 13 13 VAL HA H 3.69 0.02 1 101 13 13 VAL HB H 2.10 0.02 1 102 13 13 VAL HG1 H 1.04 0.02 2 103 13 13 VAL HG2 H 1.19 0.02 2 104 13 13 VAL CA C 65.5 0.5 1 105 13 13 VAL CB C 31.8 0.5 1 106 13 13 VAL CG1 C 21.7 0.5 1 107 13 13 VAL CG2 C 22.8 0.5 1 108 13 13 VAL N N 121.0 0.5 1 109 14 14 VAL H H 7.88 0.02 1 110 14 14 VAL HA H 3.35 0.02 1 111 14 14 VAL HB H 1.93 0.02 1 112 14 14 VAL HG1 H 0.81 0.02 2 113 14 14 VAL HG2 H 0.82 0.02 2 114 14 14 VAL CA C 66.7 0.5 1 115 14 14 VAL CB C 31.5 0.5 1 116 14 14 VAL CG1 C 23.0 0.5 1 117 14 14 VAL CG2 C 21.0 0.5 1 118 14 14 VAL N N 120.3 0.5 1 119 15 15 SER H H 7.81 0.02 1 120 15 15 SER HA H 4.21 0.02 1 121 15 15 SER HB2 H 3.93 0.02 1 122 15 15 SER HB3 H 3.93 0.02 1 123 15 15 SER CA C 61.5 0.5 1 124 15 15 SER CB C 62.8 0.5 1 125 15 15 SER N N 113.2 0.5 1 126 16 16 LEU H H 7.58 0.02 1 127 16 16 LEU HA H 4.20 0.02 1 128 16 16 LEU HB2 H 1.53 0.02 2 129 16 16 LEU HB3 H 1.86 0.02 2 130 16 16 LEU HG H 1.45 0.02 1 131 16 16 LEU HD1 H 0.60 0.02 2 132 16 16 LEU HD2 H 0.79 0.02 2 133 16 16 LEU CA C 57.4 0.5 1 134 16 16 LEU CB C 41.6 0.5 1 135 16 16 LEU CG C 26.9 0.5 1 136 16 16 LEU CD1 C 26.0 0.5 1 137 16 16 LEU CD2 C 23.2 0.5 1 138 16 16 LEU N N 122.1 0.5 1 139 17 17 VAL H H 8.11 0.02 1 140 17 17 VAL HA H 3.59 0.02 1 141 17 17 VAL HB H 2.06 0.02 1 142 17 17 VAL HG1 H 0.86 0.02 2 143 17 17 VAL HG2 H 0.97 0.02 2 144 17 17 VAL CA C 65.7 0.5 1 145 17 17 VAL CB C 31.6 0.5 1 146 17 17 VAL CG1 C 21.8 0.5 1 147 17 17 VAL CG2 C 23.0 0.5 1 148 17 17 VAL N N 117.0 0.5 1 149 18 18 ASN H H 8.11 0.02 1 150 18 18 ASN HA H 4.67 0.02 1 151 18 18 ASN HB2 H 2.79 0.02 2 152 18 18 ASN HB3 H 2.81 0.02 2 153 18 18 ASN HD21 H 6.66 0.02 2 154 18 18 ASN HD22 H 7.40 0.02 2 155 18 18 ASN CA C 54.4 0.5 1 156 18 18 ASN CB C 38.6 0.5 1 157 18 18 ASN N N 117.3 0.5 1 158 18 18 ASN ND2 N 110.5 0.5 1 159 20 20 HIS HA H 4.28 0.02 1 160 20 20 HIS HB2 H 2.56 0.02 2 161 20 20 HIS HB3 H 2.77 0.02 2 162 20 20 HIS CA C 57.0 0.5 1 163 21 21 LEU H H 7.36 0.02 1 164 21 21 LEU HA H 4.15 0.02 1 165 21 21 LEU HB2 H 1.55 0.02 2 166 21 21 LEU HB3 H 1.74 0.02 2 167 21 21 LEU HG H 1.69 0.02 1 168 21 21 LEU HD1 H 0.84 0.02 2 169 21 21 LEU HD2 H 0.94 0.02 2 170 21 21 LEU CA C 56.6 0.5 1 171 21 21 LEU CB C 42.7 0.5 1 172 21 21 LEU CG C 26.9 0.5 1 173 21 21 LEU CD1 C 23.0 0.5 1 174 21 21 LEU CD2 C 25.2 0.5 1 175 21 21 LEU N N 120.3 0.5 1 176 25 25 THR HA H 4.36 0.02 1 177 25 25 THR HB H 4.26 0.02 1 178 25 25 THR HG2 H 1.19 0.02 1 179 25 25 THR CA C 62.0 0.5 1 180 25 25 THR CB C 69.5 0.5 1 181 25 25 THR CG2 C 21.7 0.5 1 182 26 26 LEU H H 8.02 0.02 1 183 26 26 LEU HA H 4.32 0.02 1 184 26 26 LEU HB2 H 1.61 0.02 1 185 26 26 LEU HB3 H 1.61 0.02 1 186 26 26 LEU HG H 1.59 0.02 1 187 26 26 LEU HD1 H 0.89 0.02 2 188 26 26 LEU HD2 H 0.80 0.02 2 189 26 26 LEU CA C 55.5 0.5 1 190 26 26 LEU CB C 42.3 0.5 1 191 26 26 LEU CG C 27.0 0.5 1 192 26 26 LEU CD1 C 24.8 0.5 1 193 26 26 LEU CD2 C 23.2 0.5 1 194 26 26 LEU N N 122.7 0.5 1 195 27 27 MET H H 8.21 0.02 1 196 27 27 MET HA H 4.53 0.02 1 197 27 27 MET HB2 H 2.01 0.02 2 198 27 27 MET HB3 H 2.13 0.02 2 199 27 27 MET HG2 H 2.47 0.02 2 200 27 27 MET HG3 H 2.58 0.02 2 201 27 27 MET CA C 55.8 0.5 1 202 27 27 MET CB C 32.8 0.5 1 203 27 27 MET CG C 32.1 0.5 1 204 27 27 MET N N 118.7 0.5 1 205 28 28 SER H H 8.06 0.02 1 206 28 28 SER HA H 4.75 0.02 1 207 28 28 SER HB2 H 3.75 0.02 2 208 28 28 SER HB3 H 3.87 0.02 2 209 28 28 SER CA C 56.6 0.5 1 210 28 28 SER CB C 63.3 0.5 1 211 28 28 SER N N 117.3 0.5 1 212 29 29 PRO HA H 4.67 0.02 1 213 29 29 PRO HG2 H 1.95 0.02 2 214 29 29 PRO HG3 H 2.00 0.02 2 215 29 29 PRO HD2 H 3.64 0.02 2 216 29 29 PRO HD3 H 3.78 0.02 2 217 29 29 PRO CA C 33.2 0.5 1 218 29 29 PRO CG C 27.3 0.5 1 219 29 29 PRO CD C 50.4 0.5 1 220 30 30 PRO HA H 4.33 0.02 1 221 30 30 PRO HB2 H 1.91 0.02 2 222 30 30 PRO HB3 H 2.29 0.02 2 223 30 30 PRO HG2 H 2.02 0.02 1 224 30 30 PRO HG3 H 2.02 0.02 1 225 30 30 PRO HD2 H 3.67 0.02 2 226 30 30 PRO HD3 H 3.79 0.02 2 227 30 30 PRO CA C 63.7 0.5 1 228 30 30 PRO CB C 31.8 0.5 1 229 30 30 PRO CG C 27.5 0.5 1 230 30 30 PRO CD C 50.3 0.5 1 231 31 31 GLU H H 8.73 0.02 1 232 31 31 GLU HA H 4.19 0.02 1 233 31 31 GLU HB2 H 1.99 0.02 1 234 31 31 GLU HB3 H 1.99 0.02 1 235 31 31 GLU HG2 H 2.29 0.02 1 236 31 31 GLU HG3 H 2.29 0.02 1 237 31 31 GLU CA C 57.4 0.5 1 238 31 31 GLU CB C 29.5 0.5 1 239 31 31 GLU CG C 36.1 0.5 1 240 31 31 GLU N N 118.7 0.5 1 241 32 32 SER H H 8.09 0.02 1 242 32 32 SER HA H 4.41 0.02 1 243 32 32 SER HB2 H 3.86 0.02 1 244 32 32 SER HB3 H 3.86 0.02 1 245 32 32 SER CA C 58.4 0.5 1 246 32 32 SER CB C 63.7 0.5 1 247 32 32 SER N N 115.0 0.5 1 248 33 33 ILE H H 7.89 0.02 1 249 33 33 ILE HA H 4.03 0.02 1 250 33 33 ILE HB H 1.81 0.02 1 251 33 33 ILE HG12 H 1.09 0.02 2 252 33 33 ILE HG13 H 1.22 0.02 2 253 33 33 ILE HG2 H 0.76 0.02 1 254 33 33 ILE HD1 H 0.77 0.02 1 255 33 33 ILE CA C 61.9 0.5 1 256 33 33 ILE CB C 37.9 0.5 1 257 33 33 ILE CG1 C 27.1 0.5 1 258 33 33 ILE CG2 C 17.2 0.5 1 259 33 33 ILE CD1 C 13.0 0.5 1 260 33 33 ILE N N 121.2 0.5 1 261 34 34 HIS H H 8.20 0.02 1 262 34 34 HIS HA H 4.62 0.02 1 263 34 34 HIS HB2 H 3.02 0.02 2 264 34 34 HIS HB3 H 3.22 0.02 2 265 34 34 HIS HD2 H 6.94 0.02 1 266 34 34 HIS CA C 56.1 0.5 1 267 34 34 HIS CB C 29.9 0.5 1 268 34 34 HIS CD2 C 119.7 0.5 1 269 34 34 HIS N N 121.3 0.5 1 270 35 35 ALA H H 7.91 0.02 1 271 35 35 ALA HA H 4.29 0.02 1 272 35 35 ALA HB H 1.38 0.02 1 273 35 35 ALA CA C 52.9 0.5 1 274 35 35 ALA CB C 18.9 0.5 1 275 35 35 ALA N N 123.5 0.5 1 276 36 36 LEU H H 8.24 0.02 1 277 36 36 LEU HA H 4.31 0.02 1 278 36 36 LEU HB2 H 1.56 0.02 2 279 36 36 LEU HB3 H 1.70 0.02 2 280 36 36 LEU HG H 1.65 0.02 1 281 36 36 LEU HD1 H 0.84 0.02 2 282 36 36 LEU HD2 H 0.86 0.02 2 283 36 36 LEU CA C 55.5 0.5 1 284 36 36 LEU CB C 42.2 0.5 1 285 36 36 LEU CG C 26.5 0.5 1 286 36 36 LEU CD1 C 23.4 0.5 1 287 36 36 LEU CD2 C 23.4 0.5 1 288 36 36 LEU N N 120.7 0.5 1 289 37 37 GLY H H 8.21 0.02 1 290 37 37 GLY HA2 H 3.94 0.02 1 291 37 37 GLY HA3 H 3.94 0.02 1 292 37 37 GLY CA C 45.6 0.5 1 293 37 37 GLY N N 107.8 0.5 1 294 38 38 LEU H H 8.19 0.02 1 295 38 38 LEU HA H 3.99 0.02 1 296 38 38 LEU HB2 H 1.57 0.02 2 297 38 38 LEU HB3 H 1.62 0.02 2 298 38 38 LEU HG H 1.56 0.02 1 299 38 38 LEU HD1 H 0.81 0.02 2 300 38 38 LEU HD2 H 0.85 0.02 2 301 38 38 LEU CA C 56.9 0.5 1 302 38 38 LEU CB C 41.8 0.5 1 303 38 38 LEU CG C 27.0 0.5 1 304 38 38 LEU CD1 C 24.4 0.5 1 305 38 38 LEU CD2 C 25.2 0.5 1 306 38 38 LEU N N 121.0 0.5 1 307 39 39 GLU H H 8.50 0.02 1 308 39 39 GLU HA H 3.96 0.02 1 309 39 39 GLU HB2 H 2.02 0.02 1 310 39 39 GLU HB3 H 2.02 0.02 1 311 39 39 GLU HG2 H 2.27 0.02 2 312 39 39 GLU HG3 H 2.32 0.02 2 313 39 39 GLU CA C 58.8 0.5 1 314 39 39 GLU CB C 28.8 0.5 1 315 39 39 GLU CG C 36.0 0.5 1 316 39 39 GLU N N 117.3 0.5 1 317 40 40 LYS H H 7.80 0.02 1 318 40 40 LYS HA H 4.23 0.02 1 319 40 40 LYS HB2 H 1.84 0.02 2 320 40 40 LYS HB3 H 1.88 0.02 2 321 40 40 LYS HG2 H 1.45 0.02 2 322 40 40 LYS HG3 H 1.55 0.02 2 323 40 40 LYS HD2 H 1.69 0.02 1 324 40 40 LYS HD3 H 1.69 0.02 1 325 40 40 LYS HE2 H 2.96 0.02 1 326 40 40 LYS HE3 H 2.96 0.02 1 327 40 40 LYS CA C 57.0 0.5 1 328 40 40 LYS CB C 32.2 0.5 1 329 40 40 LYS CG C 25.2 0.5 1 330 40 40 LYS CD C 28.8 0.5 1 331 40 40 LYS CE C 41.8 0.5 1 332 40 40 LYS N N 117.2 0.5 1 333 41 41 LEU H H 7.82 0.02 1 334 41 41 LEU HA H 4.34 0.02 1 335 41 41 LEU HB2 H 1.53 0.02 2 336 41 41 LEU HB3 H 1.68 0.02 2 337 41 41 LEU HG H 1.62 0.02 1 338 41 41 LEU HD1 H 0.83 0.02 2 339 41 41 LEU HD2 H 0.84 0.02 2 340 41 41 LEU CA C 55.1 0.5 1 341 41 41 LEU CB C 42.5 0.5 1 342 41 41 LEU CG C 26.8 0.5 1 343 41 41 LEU CD1 C 23.0 0.5 1 344 41 41 LEU CD2 C 23.1 0.5 1 345 41 41 LEU N N 120.2 0.5 1 346 42 42 ARG H H 7.27 0.02 1 347 42 42 ARG HA H 4.35 0.02 1 348 42 42 ARG HB2 H 1.65 0.02 2 349 42 42 ARG HB3 H 1.96 0.02 2 350 42 42 ARG HG2 H 1.48 0.02 2 351 42 42 ARG HG3 H 1.68 0.02 2 352 42 42 ARG HD2 H 3.08 0.02 1 353 42 42 ARG HD3 H 3.08 0.02 1 354 42 42 ARG CA C 55.6 0.5 1 355 42 42 ARG CB C 31.1 0.5 1 356 42 42 ARG CG C 27.7 0.5 1 357 42 42 ARG CD C 43.4 0.5 1 358 42 42 ARG N N 115.4 0.5 1 359 43 43 GLY H H 7.86 0.02 1 360 43 43 GLY HA2 H 4.14 0.02 2 361 43 43 GLY HA3 H 4.17 0.02 2 362 43 43 GLY CA C 44.8 0.5 1 363 43 43 GLY N N 108.7 0.5 1 364 44 44 PRO HA H 4.42 0.02 1 365 44 44 PRO HB2 H 2.02 0.02 2 366 44 44 PRO HB3 H 2.31 0.02 2 367 44 44 PRO HG2 H 2.04 0.02 2 368 44 44 PRO HG3 H 2.06 0.02 2 369 44 44 PRO HD2 H 3.64 0.02 2 370 44 44 PRO HD3 H 3.77 0.02 2 371 44 44 PRO CA C 64.1 0.5 1 372 44 44 PRO CB C 31.5 0.5 1 373 44 44 PRO CG C 27.1 0.5 1 374 44 44 PRO CD C 49.7 0.5 1 375 45 45 GLU H H 9.66 0.02 1 376 45 45 GLU HA H 4.46 0.02 1 377 45 45 GLU HB2 H 2.20 0.02 2 378 45 45 GLU HB3 H 2.13 0.02 2 379 45 45 GLU HG2 H 2.26 0.02 2 380 45 45 GLU HG3 H 2.37 0.02 2 381 45 45 GLU CA C 56.9 0.5 1 382 45 45 GLU CB C 28.6 0.5 1 383 45 45 GLU CG C 36.3 0.5 1 384 45 45 GLU N N 118.8 0.5 1 385 46 46 ILE H H 7.87 0.02 1 386 46 46 ILE HA H 4.84 0.02 1 387 46 46 ILE HB H 1.93 0.02 1 388 46 46 ILE HG12 H 1.07 0.02 2 389 46 46 ILE HG13 H 1.46 0.02 2 390 46 46 ILE HG2 H 0.84 0.02 1 391 46 46 ILE HD1 H 0.75 0.02 1 392 46 46 ILE CA C 59.4 0.5 1 393 46 46 ILE CB C 39.0 0.5 1 394 46 46 ILE CG1 C 27.5 0.5 1 395 46 46 ILE CG2 C 18.1 0.5 1 396 46 46 ILE CD1 C 11.9 0.5 1 397 46 46 ILE N N 122.1 0.5 1 398 47 47 THR H H 8.52 0.02 1 399 47 47 THR HA H 4.18 0.02 1 400 47 47 THR HB H 3.55 0.02 1 401 47 47 THR HG2 H 0.20 0.02 1 402 47 47 THR CA C 61.9 0.5 1 403 47 47 THR CB C 70.1 0.5 1 404 47 47 THR CG2 C 20.7 0.5 1 405 47 47 THR N N 123.9 0.5 1 406 48 48 PHE H H 8.96 0.02 1 407 48 48 PHE HA H 4.90 0.02 1 408 48 48 PHE HB2 H 2.73 0.02 2 409 48 48 PHE HB3 H 3.18 0.02 2 410 48 48 PHE HD1 H 7.14 0.02 1 411 48 48 PHE HD2 H 7.14 0.02 1 412 48 48 PHE HE1 H 7.17 0.02 1 413 48 48 PHE HE2 H 7.17 0.02 1 414 48 48 PHE HZ H 7.22 0.02 1 415 48 48 PHE CA C 57.0 0.5 1 416 48 48 PHE CB C 43.1 0.5 1 417 48 48 PHE CD1 C 131.2 0.5 1 418 48 48 PHE CE1 C 130.1 0.5 1 419 48 48 PHE CZ C 129.2 0.5 1 420 48 48 PHE N N 129.2 0.5 1 421 49 49 TRP H H 8.98 0.02 1 422 49 49 TRP HA H 5.54 0.02 1 423 49 49 TRP HB2 H 2.72 0.02 1 424 49 49 TRP HB3 H 2.72 0.02 1 425 49 49 TRP HD1 H 6.70 0.02 1 426 49 49 TRP HE1 H 10.42 0.02 1 427 49 49 TRP HE3 H 7.54 0.02 1 428 49 49 TRP HZ2 H 7.27 0.02 1 429 49 49 TRP HZ3 H 6.96 0.02 1 430 49 49 TRP HH2 H 6.85 0.02 1 431 49 49 TRP CA C 57.6 0.5 1 432 49 49 TRP CB C 32.3 0.5 1 433 49 49 TRP CD1 C 124.9 0.5 1 434 49 49 TRP CE3 C 120.6 0.5 1 435 49 49 TRP CZ2 C 113.3 0.5 1 436 49 49 TRP CZ3 C 121.8 0.5 1 437 49 49 TRP CH2 C 121.1 0.5 1 438 49 49 TRP N N 124.0 0.5 1 439 49 49 TRP NE1 N 128.6 0.5 1 440 50 50 SER H H 9.43 0.02 1 441 50 50 SER HA H 4.78 0.02 1 442 50 50 SER HB2 H 3.70 0.02 1 443 50 50 SER HB3 H 3.70 0.02 1 444 50 50 SER CA C 55.5 0.5 1 445 50 50 SER CB C 64.6 0.5 1 446 50 50 SER N N 112.3 0.5 1 447 51 51 ALA H H 8.25 0.02 1 448 51 51 ALA HA H 5.35 0.02 1 449 51 51 ALA HB H 0.76 0.02 1 450 51 51 ALA CA C 49.4 0.5 1 451 51 51 ALA CB C 21.6 0.5 1 452 51 51 ALA N N 123.4 0.5 1 453 52 52 TRP H H 9.25 0.02 1 454 52 52 TRP HA H 4.81 0.02 1 455 52 52 TRP HB2 H 2.83 0.02 2 456 52 52 TRP HB3 H 3.44 0.02 2 457 52 52 TRP HD1 H 7.11 0.02 1 458 52 52 TRP HE1 H 11.29 0.02 1 459 52 52 TRP HE3 H 7.12 0.02 1 460 52 52 TRP HZ2 H 7.47 0.02 1 461 52 52 TRP HZ3 H 7.03 0.02 1 462 52 52 TRP HH2 H 7.16 0.02 1 463 52 52 TRP CA C 56.6 0.5 1 464 52 52 TRP CB C 31.8 0.5 1 465 52 52 TRP CD1 C 126.9 0.5 1 466 52 52 TRP CE3 C 119.8 0.5 1 467 52 52 TRP CZ2 C 114.0 0.5 1 468 52 52 TRP CZ3 C 121.8 0.5 1 469 52 52 TRP CH2 C 123.5 0.5 1 470 52 52 TRP N N 123.7 0.5 1 471 52 52 TRP NE1 N 129.5 0.5 1 472 53 53 GLU H H 9.04 0.02 1 473 53 53 GLU HA H 4.83 0.02 1 474 53 53 GLU HB2 H 1.56 0.02 2 475 53 53 GLU HB3 H 2.02 0.02 2 476 53 53 GLU HG2 H 2.08 0.02 2 477 53 53 GLU HG3 H 2.20 0.02 2 478 53 53 GLU CA C 54.4 0.5 1 479 53 53 GLU CB C 30.3 0.5 1 480 53 53 GLU CG C 36.2 0.5 1 481 53 53 GLU N N 125.5 0.5 1 482 54 54 GLY H H 9.13 0.02 1 483 54 54 GLY HA2 H 4.10 0.02 2 484 54 54 GLY HA3 H 3.71 0.02 2 485 54 54 GLY CA C 47.2 0.5 1 486 54 54 GLY N N 118.3 0.5 1 487 55 55 ASP H H 8.95 0.02 1 488 55 55 ASP HA H 4.79 0.02 1 489 55 55 ASP HB2 H 2.71 0.02 2 490 55 55 ASP HB3 H 2.88 0.02 2 491 55 55 ASP CA C 54.4 0.5 1 492 55 55 ASP CB C 40.9 0.5 1 493 55 55 ASP N N 126.2 0.5 1 494 56 56 GLU H H 8.18 0.02 1 495 56 56 GLU HA H 4.64 0.02 1 496 56 56 GLU HB2 H 2.12 0.02 2 497 56 56 GLU HB3 H 2.22 0.02 2 498 56 56 GLU HG2 H 2.28 0.02 2 499 56 56 GLU HG3 H 2.48 0.02 2 500 56 56 GLU CA C 55.3 0.5 1 501 56 56 GLU CB C 31.7 0.5 1 502 56 56 GLU CG C 36.3 0.5 1 503 56 56 GLU N N 119.5 0.5 1 504 57 57 LEU H H 8.43 0.02 1 505 57 57 LEU HA H 3.00 0.02 1 506 57 57 LEU HB2 H 0.46 0.02 2 507 57 57 LEU HB3 H 1.38 0.02 2 508 57 57 LEU HG H 0.51 0.02 1 509 57 57 LEU HD1 H -0.04 0.02 2 510 57 57 LEU HD2 H 0.76 0.02 2 511 57 57 LEU CA C 55.2 0.5 1 512 57 57 LEU CB C 40.4 0.5 1 513 57 57 LEU CG C 28.3 0.5 1 514 57 57 LEU CD1 C 22.1 0.5 1 515 57 57 LEU CD2 C 26.4 0.5 1 516 57 57 LEU N N 126.8 0.5 1 517 58 58 ALA H H 9.08 0.02 1 518 58 58 ALA HA H 4.02 0.02 1 519 58 58 ALA HB H 0.67 0.02 1 520 58 58 ALA CA C 51.9 0.5 1 521 58 58 ALA CB C 20.5 0.5 1 522 58 58 ALA N N 131.0 0.5 1 523 59 59 GLY H H 7.36 0.02 1 524 59 59 GLY HA2 H 4.11 0.02 2 525 59 59 GLY HA3 H 3.94 0.02 2 526 59 59 GLY CA C 46.2 0.5 1 527 59 59 GLY N N 102.1 0.5 1 528 60 60 CYS H H 9.02 0.02 1 529 60 60 CYS HA H 5.25 0.02 1 530 60 60 CYS HB2 H 2.61 0.02 2 531 60 60 CYS HB3 H 3.32 0.02 2 532 60 60 CYS CA C 56.2 0.5 1 533 60 60 CYS CB C 32.3 0.5 1 534 60 60 CYS N N 113.2 0.5 1 535 61 61 GLY H H 8.29 0.02 1 536 61 61 GLY HA2 H 4.26 0.02 2 537 61 61 GLY HA3 H 3.93 0.02 2 538 61 61 GLY CA C 46.3 0.5 1 539 61 61 GLY N N 104.0 0.5 1 540 62 62 ALA H H 8.45 0.02 1 541 62 62 ALA HA H 5.78 0.02 1 542 62 62 ALA HB H 1.15 0.02 1 543 62 62 ALA CA C 50.3 0.5 1 544 62 62 ALA CB C 23.7 0.5 1 545 62 62 ALA N N 120.2 0.5 1 546 63 63 LEU H H 9.21 0.02 1 547 63 63 LEU HA H 5.37 0.02 1 548 63 63 LEU HB2 H 1.70 0.02 2 549 63 63 LEU HB3 H 2.24 0.02 2 550 63 63 LEU HG H 1.63 0.02 1 551 63 63 LEU HD1 H 1.08 0.02 2 552 63 63 LEU HD2 H 1.00 0.02 2 553 63 63 LEU CA C 52.7 0.5 1 554 63 63 LEU CB C 47.4 0.5 1 555 63 63 LEU CG C 27.4 0.5 1 556 63 63 LEU CD1 C 26.2 0.5 1 557 63 63 LEU CD2 C 23.2 0.5 1 558 63 63 LEU N N 120.6 0.5 1 559 64 64 LYS H H 10.20 0.02 1 560 64 64 LYS HA H 5.27 0.02 1 561 64 64 LYS HB2 H 1.36 0.02 2 562 64 64 LYS HB3 H 2.01 0.02 2 563 64 64 LYS HG2 H 0.98 0.02 2 564 64 64 LYS HG3 H 1.17 0.02 2 565 64 64 LYS HD2 H 1.45 0.02 2 566 64 64 LYS HD3 H 1.66 0.02 2 567 64 64 LYS HE2 H 2.88 0.02 2 568 64 64 LYS HE3 H 2.87 0.02 2 569 64 64 LYS CA C 53.4 0.5 1 570 64 64 LYS CB C 36.5 0.5 1 571 64 64 LYS CG C 25.6 0.5 1 572 64 64 LYS CD C 30.0 0.5 1 573 64 64 LYS CE C 42.1 0.5 1 574 64 64 LYS N N 130.3 0.5 1 575 65 65 GLU H H 9.07 0.02 1 576 65 65 GLU HA H 4.26 0.02 1 577 65 65 GLU HB2 H 2.01 0.02 2 578 65 65 GLU HB3 H 2.20 0.02 2 579 65 65 GLU HG2 H 2.21 0.02 1 580 65 65 GLU HG3 H 2.21 0.02 1 581 65 65 GLU CA C 57.9 0.5 1 582 65 65 GLU CB C 30.8 0.5 1 583 65 65 GLU CG C 36.0 0.5 1 584 65 65 GLU N N 129.3 0.5 1 585 66 66 LEU H H 8.52 0.02 1 586 66 66 LEU HA H 4.28 0.02 1 587 66 66 LEU HB2 H 1.33 0.02 2 588 66 66 LEU HB3 H 1.42 0.02 2 589 66 66 LEU HG H 1.33 0.02 1 590 66 66 LEU HD1 H 0.86 0.02 2 591 66 66 LEU HD2 H 0.17 0.02 2 592 66 66 LEU CA C 56.5 0.5 1 593 66 66 LEU CB C 41.5 0.5 1 594 66 66 LEU CG C 26.6 0.5 1 595 66 66 LEU CD1 C 21.6 0.5 1 596 66 66 LEU CD2 C 24.0 0.5 1 597 66 66 LEU N N 130.7 0.5 1 598 67 67 ASP H H 8.46 0.02 1 599 67 67 ASP HA H 4.58 0.02 1 600 67 67 ASP HB2 H 2.99 0.02 2 601 67 67 ASP HB3 H 3.12 0.02 2 602 67 67 ASP CA C 53.2 0.5 1 603 67 67 ASP CB C 41.2 0.5 1 604 67 67 ASP N N 114.9 0.5 1 605 68 68 THR H H 7.96 0.02 1 606 68 68 THR HA H 4.01 0.02 1 607 68 68 THR HB H 4.42 0.02 1 608 68 68 THR HG2 H 1.40 0.02 1 609 68 68 THR CA C 64.9 0.5 1 610 68 68 THR CB C 69.2 0.5 1 611 68 68 THR CG2 C 22.2 0.5 1 612 68 68 THR N N 105.4 0.5 1 613 69 69 ARG H H 8.89 0.02 1 614 69 69 ARG HA H 5.01 0.02 1 615 69 69 ARG HB2 H 1.76 0.02 2 616 69 69 ARG HB3 H 2.05 0.02 2 617 69 69 ARG HG2 H 1.61 0.02 2 618 69 69 ARG HG3 H 1.66 0.02 2 619 69 69 ARG HD2 H 3.29 0.02 2 620 69 69 ARG HD3 H 3.15 0.02 2 621 69 69 ARG CA C 54.8 0.5 1 622 69 69 ARG CB C 32.3 0.5 1 623 69 69 ARG CG C 26.8 0.5 1 624 69 69 ARG CD C 43.1 0.5 1 625 69 69 ARG N N 116.2 0.5 1 626 70 70 HIS H H 7.58 0.02 1 627 70 70 HIS HA H 5.43 0.02 1 628 70 70 HIS HB2 H 2.75 0.02 2 629 70 70 HIS HB3 H 3.00 0.02 2 630 70 70 HIS HD2 H 6.78 0.02 1 631 70 70 HIS HE1 H 8.06 0.02 1 632 70 70 HIS CA C 53.4 0.5 1 633 70 70 HIS CB C 33.0 0.5 1 634 70 70 HIS CD2 C 124.4 0.5 1 635 70 70 HIS N N 125.1 0.5 1 636 71 71 GLY H H 8.18 0.02 1 637 71 71 GLY HA2 H 5.11 0.02 2 638 71 71 GLY HA3 H 3.34 0.02 2 639 71 71 GLY CA C 43.9 0.5 1 640 71 71 GLY N N 111.9 0.5 1 641 72 72 GLU H H 9.70 0.02 1 642 72 72 GLU HA H 5.71 0.02 1 643 72 72 GLU HB2 H 1.84 0.02 2 644 72 72 GLU HB3 H 1.97 0.02 2 645 72 72 GLU HG2 H 2.11 0.02 2 646 72 72 GLU HG3 H 2.60 0.02 2 647 72 72 GLU CA C 52.4 0.5 1 648 72 72 GLU CB C 33.3 0.5 1 649 72 72 GLU CG C 36.0 0.5 1 650 72 72 GLU N N 122.1 0.5 1 651 73 73 ILE H H 8.50 0.02 1 652 73 73 ILE HA H 4.82 0.02 1 653 73 73 ILE HB H 1.62 0.02 1 654 73 73 ILE HG12 H 1.05 0.02 2 655 73 73 ILE HG13 H 1.63 0.02 2 656 73 73 ILE HG2 H 0.88 0.02 1 657 73 73 ILE HD1 H 0.73 0.02 1 658 73 73 ILE CA C 61.3 0.5 1 659 73 73 ILE CB C 38.3 0.5 1 660 73 73 ILE CG1 C 28.1 0.5 1 661 73 73 ILE CG2 C 17.1 0.5 1 662 73 73 ILE CD1 C 14.7 0.5 1 663 73 73 ILE N N 127.4 0.5 1 664 74 74 LYS H H 8.93 0.02 1 665 74 74 LYS HA H 4.89 0.02 1 666 74 74 LYS HB2 H 1.45 0.02 2 667 74 74 LYS HB3 H 2.00 0.02 2 668 74 74 LYS HG2 H 1.38 0.02 1 669 74 74 LYS HG3 H 1.38 0.02 1 670 74 74 LYS HD2 H 1.71 0.02 1 671 74 74 LYS HD3 H 1.71 0.02 1 672 74 74 LYS HE2 H 3.01 0.02 2 673 74 74 LYS HE3 H 3.07 0.02 2 674 74 74 LYS CA C 54.1 0.5 1 675 74 74 LYS CB C 37.2 0.5 1 676 74 74 LYS CG C 24.3 0.5 1 677 74 74 LYS CD C 28.9 0.5 1 678 74 74 LYS CE C 41.3 0.5 1 679 74 74 LYS N N 127.4 0.5 1 680 75 75 SER H H 8.96 0.02 1 681 75 75 SER HA H 4.76 0.02 1 682 75 75 SER HB2 H 3.56 0.02 2 683 75 75 SER HB3 H 4.13 0.02 2 684 75 75 SER CA C 57.4 0.5 1 685 75 75 SER CB C 63.1 0.5 1 686 75 75 SER N N 111.9 0.5 1 687 76 76 MET H H 8.27 0.02 1 688 76 76 MET HA H 5.09 0.02 1 689 76 76 MET HB2 H 2.81 0.02 2 690 76 76 MET HB3 H 3.41 0.02 2 691 76 76 MET HG2 H 2.84 0.02 2 692 76 76 MET HG3 H 3.44 0.02 2 693 76 76 MET HE H 1.98 0.02 1 694 76 76 MET CA C 54.3 0.5 1 695 76 76 MET CB C 31.4 0.5 1 696 76 76 MET CG C 31.7 0.5 1 697 76 76 MET CE C 16.7 0.5 1 698 76 76 MET N N 118.5 0.5 1 699 77 77 ARG H H 8.31 0.02 1 700 77 77 ARG HA H 4.09 0.02 1 701 77 77 ARG HB2 H 1.89 0.02 1 702 77 77 ARG HB3 H 1.89 0.02 1 703 77 77 ARG HG2 H 1.45 0.02 2 704 77 77 ARG HG3 H 1.58 0.02 2 705 77 77 ARG HD2 H 3.00 0.02 2 706 77 77 ARG HD3 H 3.09 0.02 2 707 77 77 ARG CA C 54.4 0.5 1 708 77 77 ARG CB C 34.1 0.5 1 709 77 77 ARG CG C 27.3 0.5 1 710 77 77 ARG CD C 43.4 0.5 1 711 77 77 ARG N N 125.3 0.5 1 712 78 78 THR HA H 3.87 0.02 1 713 78 78 THR HB H 3.88 0.02 1 714 78 78 THR HG2 H 1.35 0.02 1 715 78 78 THR CA C 63.6 0.5 1 716 78 78 THR CB C 70.8 0.5 1 717 78 78 THR CG2 C 21.9 0.5 1 718 79 79 SER H H 8.41 0.02 1 719 79 79 SER HA H 4.28 0.02 1 720 79 79 SER HB2 H 3.85 0.02 2 721 79 79 SER HB3 H 3.87 0.02 2 722 79 79 SER CA C 58.2 0.5 1 723 79 79 SER CB C 63.7 0.5 1 724 79 79 SER N N 122.1 0.5 1 725 80 80 ALA H H 9.04 0.02 1 726 80 80 ALA HA H 4.05 0.02 1 727 80 80 ALA HB H 1.47 0.02 1 728 80 80 ALA CA C 54.7 0.5 1 729 80 80 ALA CB C 18.1 0.5 1 730 80 80 ALA N N 128.0 0.5 1 731 81 81 SER H H 8.14 0.02 1 732 81 81 SER HA H 4.25 0.02 1 733 81 81 SER HB2 H 3.77 0.02 2 734 81 81 SER HB3 H 3.84 0.02 2 735 81 81 SER CA C 59.2 0.5 1 736 81 81 SER CB C 62.9 0.5 1 737 81 81 SER N N 110.4 0.5 1 738 82 82 HIS H H 8.11 0.02 1 739 82 82 HIS HA H 4.12 0.02 1 740 82 82 HIS HB2 H 2.15 0.02 1 741 82 82 HIS HB3 H 2.15 0.02 1 742 82 82 HIS CA C 54.8 0.5 1 743 82 82 HIS CB C 32.9 0.5 1 744 82 82 HIS N N 121.0 0.5 1 745 83 83 LEU H H 8.71 0.02 1 746 83 83 LEU HA H 4.80 0.02 1 747 83 83 LEU HB2 H 1.33 0.02 2 748 83 83 LEU HB3 H 1.54 0.02 2 749 83 83 LEU HG H 1.54 0.02 1 750 83 83 LEU HD1 H 0.65 0.02 2 751 83 83 LEU HD2 H 0.66 0.02 2 752 83 83 LEU CA C 54.6 0.5 1 753 83 83 LEU CB C 43.2 0.5 1 754 83 83 LEU CG C 26.9 0.5 1 755 83 83 LEU CD1 C 24.9 0.5 1 756 83 83 LEU CD2 C 24.7 0.5 1 757 83 83 LEU N N 125.0 0.5 1 758 84 84 ARG H H 9.36 0.02 1 759 84 84 ARG HA H 4.99 0.02 1 760 84 84 ARG HB2 H 2.00 0.02 2 761 84 84 ARG HB3 H 2.06 0.02 2 762 84 84 ARG HG2 H 1.66 0.02 2 763 84 84 ARG HG3 H 1.60 0.02 2 764 84 84 ARG HD2 H 3.15 0.02 2 765 84 84 ARG HD3 H 3.28 0.02 2 766 84 84 ARG CA C 54.7 0.5 1 767 84 84 ARG CB C 32.2 0.5 1 768 84 84 ARG CG C 26.8 0.5 1 769 84 84 ARG CD C 43.0 0.5 1 770 84 84 ARG N N 124.0 0.5 1 771 86 86 GLY HA2 H 4.00 0.02 2 772 86 86 GLY HA3 H 4.13 0.02 2 773 86 86 GLY CA C 45.4 0.5 1 774 87 87 VAL H H 8.54 0.02 1 775 87 87 VAL HA H 3.36 0.02 1 776 87 87 VAL HB H 2.05 0.02 1 777 87 87 VAL HG1 H 0.63 0.02 2 778 87 87 VAL HG2 H 1.02 0.02 2 779 87 87 VAL CA C 66.4 0.5 1 780 87 87 VAL CB C 31.7 0.5 1 781 87 87 VAL CG1 C 20.1 0.5 1 782 87 87 VAL CG2 C 23.5 0.5 1 783 87 87 VAL N N 121.7 0.5 1 784 88 88 ALA H H 8.18 0.02 1 785 88 88 ALA HA H 3.93 0.02 1 786 88 88 ALA HB H 1.23 0.02 1 787 88 88 ALA CA C 55.2 0.5 1 788 88 88 ALA CB C 18.2 0.5 1 789 88 88 ALA N N 121.1 0.5 1 790 89 89 LYS H H 7.80 0.02 1 791 89 89 LYS HA H 3.73 0.02 1 792 89 89 LYS HB2 H 1.83 0.02 2 793 89 89 LYS HB3 H 1.90 0.02 2 794 89 89 LYS HG2 H 1.47 0.02 2 795 89 89 LYS HG3 H 1.56 0.02 2 796 89 89 LYS HD2 H 1.67 0.02 1 797 89 89 LYS HD3 H 1.67 0.02 1 798 89 89 LYS HE2 H 2.96 0.02 1 799 89 89 LYS HE3 H 2.96 0.02 1 800 89 89 LYS CA C 59.9 0.5 1 801 89 89 LYS CB C 32.2 0.5 1 802 89 89 LYS CG C 24.9 0.5 1 803 89 89 LYS CD C 28.9 0.5 1 804 89 89 LYS CE C 41.8 0.5 1 805 89 89 LYS N N 116.1 0.5 1 806 90 90 GLN H H 7.45 0.02 1 807 90 90 GLN HA H 4.09 0.02 1 808 90 90 GLN HB2 H 2.01 0.02 2 809 90 90 GLN HB3 H 2.03 0.02 2 810 90 90 GLN HG2 H 2.30 0.02 2 811 90 90 GLN HG3 H 2.57 0.02 2 812 90 90 GLN HE21 H 7.21 0.02 2 813 90 90 GLN HE22 H 6.93 0.02 2 814 90 90 GLN CA C 59.2 0.5 1 815 90 90 GLN CB C 29.2 0.5 1 816 90 90 GLN CG C 35.0 0.5 1 817 90 90 GLN N N 116.9 0.5 1 818 90 90 GLN NE2 N 111.4 0.5 1 819 91 91 VAL H H 8.47 0.02 1 820 91 91 VAL HA H 3.17 0.02 1 821 91 91 VAL HB H 1.92 0.02 1 822 91 91 VAL HG1 H 0.56 0.02 2 823 91 91 VAL HG2 H 0.57 0.02 2 824 91 91 VAL CA C 66.8 0.5 1 825 91 91 VAL CB C 31.2 0.5 1 826 91 91 VAL CG1 C 23.0 0.5 1 827 91 91 VAL CG2 C 20.6 0.5 1 828 91 91 VAL N N 121.3 0.5 1 829 92 92 LEU H H 8.67 0.02 1 830 92 92 LEU HA H 3.77 0.02 1 831 92 92 LEU HB2 H 1.17 0.02 2 832 92 92 LEU HB3 H 1.51 0.02 2 833 92 92 LEU HG H 0.98 0.02 1 834 92 92 LEU HD1 H 0.19 0.02 2 835 92 92 LEU HD2 H 0.74 0.02 2 836 92 92 LEU CA C 57.9 0.5 1 837 92 92 LEU CB C 41.0 0.5 1 838 92 92 LEU CG C 26.5 0.5 1 839 92 92 LEU CD1 C 26.5 0.5 1 840 92 92 LEU CD2 C 23.1 0.5 1 841 92 92 LEU N N 120.1 0.5 1 842 93 93 GLN H H 8.10 0.02 1 843 93 93 GLN HA H 3.87 0.02 1 844 93 93 GLN HB2 H 2.06 0.02 2 845 93 93 GLN HB3 H 2.39 0.02 2 846 93 93 GLN HG2 H 2.53 0.02 2 847 93 93 GLN HG3 H 2.46 0.02 2 848 93 93 GLN HE21 H 6.80 0.02 2 849 93 93 GLN HE22 H 7.79 0.02 2 850 93 93 GLN CA C 59.2 0.5 1 851 93 93 GLN CB C 28.3 0.5 1 852 93 93 GLN CG C 33.7 0.5 1 853 93 93 GLN N N 116.6 0.5 1 854 93 93 GLN NE2 N 111.7 0.5 1 855 94 94 HIS H H 7.57 0.02 1 856 94 94 HIS HA H 3.92 0.02 1 857 94 94 HIS HB2 H 2.83 0.02 2 858 94 94 HIS HB3 H 2.94 0.02 2 859 94 94 HIS CA C 59.7 0.5 1 860 94 94 HIS CB C 30.0 0.5 1 861 94 94 HIS N N 118.6 0.5 1 862 95 95 ILE H H 7.97 0.02 1 863 95 95 ILE HA H 2.85 0.02 1 864 95 95 ILE HB H 1.72 0.02 1 865 95 95 ILE HG12 H 1.42 0.02 1 866 95 95 ILE HG13 H 1.42 0.02 1 867 95 95 ILE HG2 H 0.85 0.02 1 868 95 95 ILE HD1 H 0.64 0.02 1 869 95 95 ILE CA C 65.9 0.5 1 870 95 95 ILE CB C 37.7 0.5 1 871 95 95 ILE CG1 C 26.8 0.5 1 872 95 95 ILE CG2 C 18.3 0.5 1 873 95 95 ILE CD1 C 14.1 0.5 1 874 95 95 ILE N N 120.0 0.5 1 875 96 96 ILE H H 8.48 0.02 1 876 96 96 ILE HA H 3.39 0.02 1 877 96 96 ILE HB H 1.79 0.02 1 878 96 96 ILE HG12 H 0.73 0.02 2 879 96 96 ILE HG13 H 1.77 0.02 2 880 96 96 ILE HG2 H 0.85 0.02 1 881 96 96 ILE HD1 H 0.89 0.02 1 882 96 96 ILE CA C 66.3 0.5 1 883 96 96 ILE CB C 37.8 0.5 1 884 96 96 ILE CG1 C 30.2 0.5 1 885 96 96 ILE CG2 C 17.0 0.5 1 886 96 96 ILE CD1 C 14.9 0.5 1 887 96 96 ILE N N 120.4 0.5 1 888 97 97 GLU H H 7.92 0.02 1 889 97 97 GLU HA H 4.00 0.02 1 890 97 97 GLU HB2 H 1.89 0.02 2 891 97 97 GLU HB3 H 1.99 0.02 2 892 97 97 GLU HG2 H 2.18 0.02 2 893 97 97 GLU HG3 H 2.45 0.02 2 894 97 97 GLU CA C 59.3 0.5 1 895 97 97 GLU CB C 28.8 0.5 1 896 97 97 GLU CG C 36.6 0.5 1 897 97 97 GLU N N 118.1 0.5 1 898 98 98 GLU H H 7.72 0.02 1 899 98 98 GLU HA H 4.07 0.02 1 900 98 98 GLU HB2 H 1.90 0.02 2 901 98 98 GLU HB3 H 1.93 0.02 2 902 98 98 GLU HG2 H 2.17 0.02 2 903 98 98 GLU HG3 H 2.45 0.02 2 904 98 98 GLU CA C 58.3 0.5 1 905 98 98 GLU CB C 27.9 0.5 1 906 98 98 GLU CG C 36.4 0.5 1 907 98 98 GLU N N 120.8 0.5 1 908 99 99 ALA H H 8.61 0.02 1 909 99 99 ALA HA H 3.40 0.02 1 910 99 99 ALA HB H 1.59 0.02 1 911 99 99 ALA CA C 54.8 0.5 1 912 99 99 ALA CB C 20.1 0.5 1 913 99 99 ALA N N 122.1 0.5 1 914 100 100 GLU H H 8.50 0.02 1 915 100 100 GLU HA H 4.01 0.02 1 916 100 100 GLU HB2 H 1.89 0.02 2 917 100 100 GLU HB3 H 2.24 0.02 2 918 100 100 GLU HG2 H 2.12 0.02 2 919 100 100 GLU HG3 H 2.65 0.02 2 920 100 100 GLU CA C 59.1 0.5 1 921 100 100 GLU CB C 29.3 0.5 1 922 100 100 GLU CG C 37.6 0.5 1 923 100 100 GLU N N 117.0 0.5 1 924 101 101 LYS H H 8.02 0.02 1 925 101 101 LYS HA H 3.90 0.02 1 926 101 101 LYS HB2 H 1.94 0.02 1 927 101 101 LYS HB3 H 1.94 0.02 1 928 101 101 LYS HG2 H 1.36 0.02 2 929 101 101 LYS HG3 H 1.55 0.02 2 930 101 101 LYS HD2 H 1.65 0.02 1 931 101 101 LYS HD3 H 1.65 0.02 1 932 101 101 LYS HE2 H 2.90 0.02 1 933 101 101 LYS HE3 H 2.90 0.02 1 934 101 101 LYS CA C 59.6 0.5 1 935 101 101 LYS CB C 31.8 0.5 1 936 101 101 LYS CG C 25.0 0.5 1 937 101 101 LYS CD C 29.3 0.5 1 938 101 101 LYS CE C 41.8 0.5 1 939 101 101 LYS N N 122.8 0.5 1 940 102 102 ARG H H 7.70 0.02 1 941 102 102 ARG HA H 4.03 0.02 1 942 102 102 ARG HB2 H 0.87 0.02 2 943 102 102 ARG HB3 H 1.54 0.02 2 944 102 102 ARG HG2 H 1.51 0.02 2 945 102 102 ARG HG3 H 1.91 0.02 2 946 102 102 ARG HD2 H 3.07 0.02 1 947 102 102 ARG HD3 H 3.07 0.02 1 948 102 102 ARG CA C 57.0 0.5 1 949 102 102 ARG CB C 30.9 0.5 1 950 102 102 ARG CG C 26.5 0.5 1 951 102 102 ARG CD C 43.4 0.5 1 952 102 102 ARG N N 116.1 0.5 1 953 103 103 GLY H H 7.79 0.02 1 954 103 103 GLY HA2 H 4.12 0.02 2 955 103 103 GLY HA3 H 3.73 0.02 2 956 103 103 GLY CA C 44.9 0.5 1 957 103 103 GLY N N 106.4 0.5 1 958 104 104 TYR H H 7.74 0.02 1 959 104 104 TYR HA H 4.48 0.02 1 960 104 104 TYR HB2 H 2.78 0.02 2 961 104 104 TYR HB3 H 3.04 0.02 2 962 104 104 TYR HD1 H 6.88 0.02 1 963 104 104 TYR HD2 H 6.88 0.02 1 964 104 104 TYR HE1 H 6.69 0.02 1 965 104 104 TYR HE2 H 6.69 0.02 1 966 104 104 TYR CA C 55.3 0.5 1 967 104 104 TYR CB C 35.4 0.5 1 968 104 104 TYR CD1 C 129.6 0.5 1 969 104 104 TYR CE1 C 117.2 0.5 1 970 104 104 TYR N N 117.8 0.5 1 971 105 105 GLU H H 8.80 0.02 1 972 105 105 GLU HA H 4.46 0.02 1 973 105 105 GLU HB2 H 1.97 0.02 2 974 105 105 GLU HB3 H 2.14 0.02 2 975 105 105 GLU HG2 H 2.37 0.02 1 976 105 105 GLU HG3 H 2.37 0.02 1 977 105 105 GLU CA C 55.7 0.5 1 978 105 105 GLU CB C 31.5 0.5 1 979 105 105 GLU CG C 36.4 0.5 1 980 105 105 GLU N N 117.6 0.5 1 981 106 106 ARG H H 7.72 0.02 1 982 106 106 ARG HA H 5.06 0.02 1 983 106 106 ARG HB2 H 1.22 0.02 2 984 106 106 ARG HB3 H 1.50 0.02 2 985 106 106 ARG HG2 H 1.07 0.02 2 986 106 106 ARG HG3 H 1.29 0.02 2 987 106 106 ARG HD2 H 3.00 0.02 2 988 106 106 ARG HD3 H 3.10 0.02 2 989 106 106 ARG CA C 55.1 0.5 1 990 106 106 ARG CB C 34.5 0.5 1 991 106 106 ARG CG C 26.7 0.5 1 992 106 106 ARG CD C 43.4 0.5 1 993 106 106 ARG N N 120.1 0.5 1 994 107 107 LEU H H 8.52 0.02 1 995 107 107 LEU HA H 5.66 0.02 1 996 107 107 LEU HB2 H 1.50 0.02 2 997 107 107 LEU HB3 H 1.55 0.02 2 998 107 107 LEU HG H 1.67 0.02 1 999 107 107 LEU HD1 H 0.94 0.02 2 1000 107 107 LEU HD2 H 1.04 0.02 2 1001 107 107 LEU CA C 52.5 0.5 1 1002 107 107 LEU CB C 47.7 0.5 1 1003 107 107 LEU CG C 27.0 0.5 1 1004 107 107 LEU CD1 C 25.4 0.5 1 1005 107 107 LEU CD2 C 25.5 0.5 1 1006 107 107 LEU N N 124.4 0.5 1 1007 108 108 SER H H 8.90 0.02 1 1008 108 108 SER HA H 5.74 0.02 1 1009 108 108 SER HB2 H 2.33 0.02 2 1010 108 108 SER HB3 H 2.90 0.02 2 1011 108 108 SER CA C 56.9 0.5 1 1012 108 108 SER CB C 64.1 0.5 1 1013 108 108 SER N N 117.5 0.5 1 1014 109 109 LEU H H 9.28 0.02 1 1015 109 109 LEU HA H 5.01 0.02 1 1016 109 109 LEU HB2 H 1.43 0.02 2 1017 109 109 LEU HB3 H 1.75 0.02 2 1018 109 109 LEU HG H 1.13 0.02 1 1019 109 109 LEU HD1 H 0.14 0.02 2 1020 109 109 LEU HD2 H -0.81 0.02 2 1021 109 109 LEU CA C 55.2 0.5 1 1022 109 109 LEU CB C 44.8 0.5 1 1023 109 109 LEU CG C 24.8 0.5 1 1024 109 109 LEU CD1 C 24.7 0.5 1 1025 109 109 LEU CD2 C 26.1 0.5 1 1026 109 109 LEU N N 118.3 0.5 1 1027 110 110 GLU H H 9.58 0.02 1 1028 110 110 GLU HA H 4.90 0.02 1 1029 110 110 GLU HB2 H 1.61 0.02 1 1030 110 110 GLU HB3 H 1.61 0.02 1 1031 110 110 GLU HG2 H 1.91 0.02 2 1032 110 110 GLU HG3 H 2.13 0.02 2 1033 110 110 GLU CA C 56.9 0.5 1 1034 110 110 GLU CB C 30.1 0.5 1 1035 110 110 GLU CG C 36.0 0.5 1 1036 110 110 GLU N N 125.1 0.5 1 1037 111 111 THR H H 8.44 0.02 1 1038 111 111 THR HA H 4.31 0.02 1 1039 111 111 THR HB H 4.03 0.02 1 1040 111 111 THR HG2 H 0.89 0.02 1 1041 111 111 THR CA C 60.1 0.5 1 1042 111 111 THR CB C 68.4 0.5 1 1043 111 111 THR CG2 C 18.9 0.5 1 1044 111 111 THR N N 119.6 0.5 1 1045 112 112 GLY H H 6.85 0.02 1 1046 112 112 GLY HA2 H 4.29 0.02 2 1047 112 112 GLY HA3 H 2.62 0.02 2 1048 112 112 GLY CA C 44.9 0.5 1 1049 112 112 GLY N N 106.8 0.5 1 1050 113 113 SER H H 7.78 0.02 1 1051 113 113 SER HA H 4.21 0.02 1 1052 113 113 SER HB2 H 3.36 0.02 2 1053 113 113 SER HB3 H 4.01 0.02 2 1054 113 113 SER CA C 57.5 0.5 1 1055 113 113 SER CB C 64.7 0.5 1 1056 113 113 SER N N 113.8 0.5 1 1057 114 114 MET H H 8.54 0.02 1 1058 114 114 MET HA H 4.73 0.02 1 1059 114 114 MET HB2 H 2.33 0.02 2 1060 114 114 MET HB3 H 2.58 0.02 2 1061 114 114 MET HG2 H 2.89 0.02 1 1062 114 114 MET HG3 H 2.89 0.02 1 1063 114 114 MET HE H 2.25 0.02 1 1064 114 114 MET CA C 56.9 0.5 1 1065 114 114 MET CB C 31.6 0.5 1 1066 114 114 MET CG C 32.3 0.5 1 1067 114 114 MET CE C 17.0 0.5 1 1068 114 114 MET N N 120.3 0.5 1 1069 115 115 ALA HA H 4.33 0.02 1 1070 115 115 ALA HB H 1.52 0.02 1 1071 115 115 ALA CA C 56.1 0.5 1 1072 115 115 ALA CB C 18.2 0.5 1 1073 116 116 SER H H 8.53 0.02 1 1074 116 116 SER HA H 4.13 0.02 1 1075 116 116 SER HB2 H 3.74 0.02 2 1076 116 116 SER HB3 H 3.83 0.02 2 1077 116 116 SER CA C 59.9 0.5 1 1078 116 116 SER CB C 62.0 0.5 1 1079 116 116 SER N N 113.2 0.5 1 1080 117 117 PHE H H 7.73 0.02 1 1081 117 117 PHE HA H 4.74 0.02 1 1082 117 117 PHE HB2 H 2.66 0.02 2 1083 117 117 PHE HB3 H 3.58 0.02 2 1084 117 117 PHE HD1 H 7.27 0.02 1 1085 117 117 PHE HD2 H 7.27 0.02 1 1086 117 117 PHE HE1 H 7.23 0.02 1 1087 117 117 PHE HE2 H 7.23 0.02 1 1088 117 117 PHE HZ H 7.34 0.02 1 1089 117 117 PHE CA C 58.6 0.5 1 1090 117 117 PHE CB C 39.9 0.5 1 1091 117 117 PHE CD1 C 131.6 0.5 1 1092 117 117 PHE CE1 C 130.3 0.5 1 1093 117 117 PHE CZ C 129.3 0.5 1 1094 117 117 PHE N N 118.0 0.5 1 1095 118 118 GLU H H 8.07 0.02 1 1096 118 118 GLU HA H 4.01 0.02 1 1097 118 118 GLU HB2 H 2.21 0.02 2 1098 118 118 GLU HB3 H 2.27 0.02 2 1099 118 118 GLU HG2 H 2.27 0.02 2 1100 118 118 GLU HG3 H 2.33 0.02 2 1101 118 118 GLU CA C 61.8 0.5 1 1102 118 118 GLU CB C 27.6 0.5 1 1103 118 118 GLU CG C 36.4 0.5 1 1104 118 118 GLU N N 123.5 0.5 1 1105 119 119 PRO HA H 4.17 0.02 1 1106 119 119 PRO HB2 H 1.77 0.02 2 1107 119 119 PRO HB3 H 2.29 0.02 2 1108 119 119 PRO HG2 H 1.94 0.02 2 1109 119 119 PRO HG3 H 2.09 0.02 2 1110 119 119 PRO HD2 H 3.54 0.02 2 1111 119 119 PRO HD3 H 3.77 0.02 2 1112 119 119 PRO CA C 65.9 0.5 1 1113 119 119 PRO CB C 30.6 0.5 1 1114 119 119 PRO CG C 28.3 0.5 1 1115 119 119 PRO CD C 49.7 0.5 1 1116 120 120 ALA H H 7.05 0.02 1 1117 120 120 ALA HA H 3.72 0.02 1 1118 120 120 ALA HB H 1.50 0.02 1 1119 120 120 ALA CA C 54.6 0.5 1 1120 120 120 ALA CB C 17.5 0.5 1 1121 120 120 ALA N N 120.5 0.5 1 1122 121 121 ARG H H 8.17 0.02 1 1123 121 121 ARG HA H 3.85 0.02 1 1124 121 121 ARG HB2 H 2.04 0.02 2 1125 121 121 ARG HB3 H 2.16 0.02 2 1126 121 121 ARG HG2 H 1.46 0.02 1 1127 121 121 ARG HG3 H 1.46 0.02 1 1128 121 121 ARG HD2 H 3.50 0.02 2 1129 121 121 ARG HD3 H 3.54 0.02 2 1130 121 121 ARG CA C 61.5 0.5 1 1131 121 121 ARG CB C 29.6 0.5 1 1132 121 121 ARG CG C 27.3 0.5 1 1133 121 121 ARG CD C 43.4 0.5 1 1134 121 121 ARG N N 115.3 0.5 1 1135 122 122 LYS H H 8.51 0.02 1 1136 122 122 LYS HA H 3.96 0.02 1 1137 122 122 LYS HB2 H 1.77 0.02 2 1138 122 122 LYS HB3 H 1.89 0.02 2 1139 122 122 LYS HG2 H 1.50 0.02 2 1140 122 122 LYS HG3 H 1.58 0.02 2 1141 122 122 LYS HD2 H 1.66 0.02 1 1142 122 122 LYS HD3 H 1.66 0.02 1 1143 122 122 LYS HE2 H 2.95 0.02 1 1144 122 122 LYS HE3 H 2.95 0.02 1 1145 122 122 LYS CA C 58.8 0.5 1 1146 122 122 LYS CB C 31.6 0.5 1 1147 122 122 LYS CG C 24.9 0.5 1 1148 122 122 LYS CD C 28.3 0.5 1 1149 122 122 LYS CE C 41.8 0.5 1 1150 122 122 LYS N N 116.3 0.5 1 1151 123 123 LEU H H 7.58 0.02 1 1152 123 123 LEU HA H 4.16 0.02 1 1153 123 123 LEU HB2 H 1.37 0.02 2 1154 123 123 LEU HB3 H 1.83 0.02 2 1155 123 123 LEU HG H 1.12 0.02 1 1156 123 123 LEU HD1 H 0.52 0.02 2 1157 123 123 LEU HD2 H 0.88 0.02 2 1158 123 123 LEU CA C 57.9 0.5 1 1159 123 123 LEU CB C 40.0 0.5 1 1160 123 123 LEU CG C 26.7 0.5 1 1161 123 123 LEU CD1 C 26.1 0.5 1 1162 123 123 LEU CD2 C 23.5 0.5 1 1163 123 123 LEU N N 123.2 0.5 1 1164 124 124 TYR H H 8.31 0.02 1 1165 124 124 TYR HA H 4.28 0.02 1 1166 124 124 TYR HB2 H 2.58 0.02 2 1167 124 124 TYR HB3 H 2.76 0.02 2 1168 124 124 TYR HD1 H 6.50 0.02 1 1169 124 124 TYR HD2 H 6.50 0.02 1 1170 124 124 TYR HE1 H 6.35 0.02 1 1171 124 124 TYR HE2 H 6.35 0.02 1 1172 124 124 TYR CA C 59.8 0.5 1 1173 124 124 TYR CB C 35.5 0.5 1 1174 124 124 TYR CD1 C 131.5 0.5 1 1175 124 124 TYR CE1 C 116.5 0.5 1 1176 124 124 TYR N N 120.6 0.5 1 1177 125 125 GLU H H 9.30 0.02 1 1178 125 125 GLU HA H 4.37 0.02 1 1179 125 125 GLU HB2 H 2.23 0.02 2 1180 125 125 GLU HB3 H 2.19 0.02 2 1181 125 125 GLU HG2 H 2.24 0.02 2 1182 125 125 GLU HG3 H 2.74 0.02 2 1183 125 125 GLU CA C 60.0 0.5 1 1184 125 125 GLU CB C 29.9 0.5 1 1185 125 125 GLU CG C 36.7 0.5 1 1186 125 125 GLU N N 122.1 0.5 1 1187 126 126 SER H H 8.31 0.02 1 1188 126 126 SER HA H 4.45 0.02 1 1189 126 126 SER HB2 H 4.10 0.02 2 1190 126 126 SER HB3 H 4.18 0.02 2 1191 126 126 SER CA C 61.4 0.5 1 1192 126 126 SER CB C 62.7 0.5 1 1193 126 126 SER N N 117.4 0.5 1 1194 127 127 PHE H H 7.88 0.02 1 1195 127 127 PHE HA H 4.58 0.02 1 1196 127 127 PHE HB2 H 3.25 0.02 2 1197 127 127 PHE HB3 H 3.62 0.02 2 1198 127 127 PHE HD1 H 7.45 0.02 1 1199 127 127 PHE HD2 H 7.45 0.02 1 1200 127 127 PHE HE1 H 7.28 0.02 1 1201 127 127 PHE HE2 H 7.28 0.02 1 1202 127 127 PHE HZ H 7.26 0.02 1 1203 127 127 PHE CA C 58.6 0.5 1 1204 127 127 PHE CB C 40.3 0.5 1 1205 127 127 PHE CD1 C 131.2 0.5 1 1206 127 127 PHE CE1 C 130.3 0.5 1 1207 127 127 PHE CZ C 129.3 0.5 1 1208 127 127 PHE N N 121.8 0.5 1 1209 128 128 GLY H H 8.30 0.02 1 1210 128 128 GLY HA2 H 4.16 0.02 2 1211 128 128 GLY HA3 H 3.84 0.02 2 1212 128 128 GLY CA C 45.8 0.5 1 1213 128 128 GLY N N 107.2 0.5 1 1214 129 129 PHE H H 7.98 0.02 1 1215 129 129 PHE HA H 4.32 0.02 1 1216 129 129 PHE HB2 H 2.50 0.02 2 1217 129 129 PHE HB3 H 2.74 0.02 2 1218 129 129 PHE HD1 H 7.18 0.02 1 1219 129 129 PHE HD2 H 7.18 0.02 1 1220 129 129 PHE HE1 H 6.89 0.02 1 1221 129 129 PHE HE2 H 6.89 0.02 1 1222 129 129 PHE HZ H 6.73 0.02 1 1223 129 129 PHE CA C 58.4 0.5 1 1224 129 129 PHE CB C 39.0 0.5 1 1225 129 129 PHE CD1 C 131.6 0.5 1 1226 129 129 PHE CE1 C 130.3 0.5 1 1227 129 129 PHE CZ C 128.0 0.5 1 1228 129 129 PHE N N 117.9 0.5 1 1229 130 130 GLN H H 9.13 0.02 1 1230 130 130 GLN HA H 4.67 0.02 1 1231 130 130 GLN HB2 H 1.93 0.02 2 1232 130 130 GLN HB3 H 2.22 0.02 2 1233 130 130 GLN HG2 H 2.40 0.02 1 1234 130 130 GLN HG3 H 2.40 0.02 1 1235 130 130 GLN HE21 H 6.91 0.02 2 1236 130 130 GLN HE22 H 7.49 0.02 2 1237 130 130 GLN CA C 53.2 0.5 1 1238 130 130 GLN CB C 32.4 0.5 1 1239 130 130 GLN CG C 33.6 0.5 1 1240 130 130 GLN N N 119.4 0.5 1 1241 130 130 GLN NE2 N 112.3 0.5 1 1242 131 131 TYR H H 8.34 0.02 1 1243 131 131 TYR HA H 5.04 0.02 1 1244 131 131 TYR HB2 H 2.85 0.02 2 1245 131 131 TYR HB3 H 3.30 0.02 2 1246 131 131 TYR HD1 H 7.35 0.02 1 1247 131 131 TYR HD2 H 7.35 0.02 1 1248 131 131 TYR HE1 H 6.83 0.02 1 1249 131 131 TYR HE2 H 6.83 0.02 1 1250 131 131 TYR CA C 60.2 0.5 1 1251 131 131 TYR CB C 38.7 0.5 1 1252 131 131 TYR CD1 C 132.2 0.5 1 1253 131 131 TYR CE1 C 117.7 0.5 1 1254 131 131 TYR N N 121.5 0.5 1 1255 132 132 CYS H H 9.28 0.02 1 1256 132 132 CYS HA H 5.20 0.02 1 1257 132 132 CYS HB2 H 2.51 0.02 2 1258 132 132 CYS HB3 H 3.53 0.02 2 1259 132 132 CYS CA C 55.6 0.5 1 1260 132 132 CYS CB C 33.3 0.5 1 1261 132 132 CYS N N 120.1 0.5 1 1262 133 133 GLU H H 8.22 0.02 1 1263 133 133 GLU HA H 4.61 0.02 1 1264 133 133 GLU HB2 H 1.86 0.02 2 1265 133 133 GLU HB3 H 2.12 0.02 2 1266 133 133 GLU HG2 H 2.38 0.02 1 1267 133 133 GLU HG3 H 2.38 0.02 1 1268 133 133 GLU CA C 54.8 0.5 1 1269 133 133 GLU CB C 27.8 0.5 1 1270 133 133 GLU CG C 36.4 0.5 1 1271 133 133 GLU N N 118.2 0.5 1 1272 134 134 PRO HA H 2.34 0.02 1 1273 134 134 PRO HB2 H 0.95 0.02 2 1274 134 134 PRO HB3 H 1.24 0.02 2 1275 134 134 PRO HG2 H 1.58 0.02 2 1276 134 134 PRO HG3 H 1.73 0.02 2 1277 134 134 PRO HD2 H 3.55 0.02 2 1278 134 134 PRO HD3 H 3.71 0.02 2 1279 134 134 PRO CA C 63.7 0.5 1 1280 134 134 PRO CB C 30.8 0.5 1 1281 134 134 PRO CG C 27.0 0.5 1 1282 134 134 PRO CD C 49.4 0.5 1 1283 135 135 PHE H H 5.33 0.02 1 1284 135 135 PHE HA H 4.94 0.02 1 1285 135 135 PHE HB2 H 3.10 0.02 2 1286 135 135 PHE HB3 H 3.23 0.02 2 1287 135 135 PHE HD1 H 7.06 0.02 1 1288 135 135 PHE HD2 H 7.06 0.02 1 1289 135 135 PHE HE1 H 7.43 0.02 1 1290 135 135 PHE HE2 H 7.43 0.02 1 1291 135 135 PHE HZ H 7.08 0.02 1 1292 135 135 PHE CA C 53.0 0.5 1 1293 135 135 PHE CB C 41.3 0.5 1 1294 135 135 PHE CD1 C 131.4 0.5 1 1295 135 135 PHE CE1 C 131.4 0.5 1 1296 135 135 PHE CZ C 129.7 0.5 1 1297 135 135 PHE N N 116.1 0.5 1 1298 136 136 ALA H H 9.00 0.02 1 1299 136 136 ALA HA H 3.92 0.02 1 1300 136 136 ALA HB H 1.38 0.02 1 1301 136 136 ALA CA C 53.3 0.5 1 1302 136 136 ALA CB C 17.6 0.5 1 1303 136 136 ALA N N 119.6 0.5 1 1304 137 137 ASP H H 8.00 0.02 1 1305 137 137 ASP HA H 4.63 0.02 1 1306 137 137 ASP HB2 H 2.46 0.02 2 1307 137 137 ASP HB3 H 2.56 0.02 2 1308 137 137 ASP CA C 53.0 0.5 1 1309 137 137 ASP CB C 40.0 0.5 1 1310 137 137 ASP N N 120.9 0.5 1 1311 138 138 TYR H H 7.77 0.02 1 1312 138 138 TYR HA H 4.31 0.02 1 1313 138 138 TYR HB2 H 2.33 0.02 2 1314 138 138 TYR HB3 H 3.01 0.02 2 1315 138 138 TYR HD1 H 6.61 0.02 1 1316 138 138 TYR HD2 H 6.61 0.02 1 1317 138 138 TYR HE1 H 6.64 0.02 1 1318 138 138 TYR HE2 H 6.64 0.02 1 1319 138 138 TYR CA C 59.2 0.5 1 1320 138 138 TYR CB C 39.3 0.5 1 1321 138 138 TYR CD1 C 131.8 0.5 1 1322 138 138 TYR CE1 C 117.5 0.5 1 1323 138 138 TYR N N 119.4 0.5 1 1324 139 139 GLY H H 8.18 0.02 1 1325 139 139 GLY HA2 H 4.30 0.02 2 1326 139 139 GLY HA3 H 3.67 0.02 2 1327 139 139 GLY CA C 43.1 0.5 1 1328 139 139 GLY N N 107.2 0.5 1 1329 140 140 GLU H H 8.32 0.02 1 1330 140 140 GLU HA H 4.19 0.02 1 1331 140 140 GLU HB2 H 1.94 0.02 2 1332 140 140 GLU HB3 H 1.99 0.02 2 1333 140 140 GLU HG2 H 2.22 0.02 2 1334 140 140 GLU HG3 H 2.30 0.02 2 1335 140 140 GLU CA C 57.4 0.5 1 1336 140 140 GLU CB C 29.7 0.5 1 1337 140 140 GLU CG C 36.4 0.5 1 1338 140 140 GLU N N 118.0 0.5 1 1339 141 141 ASP H H 8.45 0.02 1 1340 141 141 ASP HA H 4.97 0.02 1 1341 141 141 ASP HB2 H 2.74 0.02 1 1342 141 141 ASP HB3 H 2.74 0.02 1 1343 141 141 ASP CA C 51.6 0.5 1 1344 141 141 ASP CB C 44.0 0.5 1 1345 141 141 ASP N N 124.3 0.5 1 1346 142 142 PRO HA H 4.51 0.02 1 1347 142 142 PRO HB2 H 1.96 0.02 2 1348 142 142 PRO HB3 H 2.38 0.02 2 1349 142 142 PRO HG2 H 1.96 0.02 2 1350 142 142 PRO HG3 H 2.05 0.02 2 1351 142 142 PRO HD2 H 3.81 0.02 2 1352 142 142 PRO HD3 H 3.90 0.02 2 1353 142 142 PRO CA C 64.3 0.5 1 1354 142 142 PRO CB C 32.1 0.5 1 1355 142 142 PRO CG C 26.8 0.5 1 1356 142 142 PRO CD C 50.9 0.5 1 1357 143 143 ASN H H 8.94 0.02 1 1358 143 143 ASN HA H 4.71 0.02 1 1359 143 143 ASN HB2 H 2.82 0.02 1 1360 143 143 ASN HB3 H 2.82 0.02 1 1361 143 143 ASN HD21 H 6.92 0.02 2 1362 143 143 ASN HD22 H 7.99 0.02 2 1363 143 143 ASN CA C 54.2 0.5 1 1364 143 143 ASN CB C 39.1 0.5 1 1365 143 143 ASN N N 116.2 0.5 1 1366 143 143 ASN ND2 N 114.6 0.5 1 1367 144 144 SER H H 8.27 0.02 1 1368 144 144 SER HA H 5.08 0.02 1 1369 144 144 SER HB2 H 3.27 0.02 2 1370 144 144 SER HB3 H 3.38 0.02 2 1371 144 144 SER CA C 59.0 0.5 1 1372 144 144 SER CB C 66.6 0.5 1 1373 144 144 SER N N 118.5 0.5 1 1374 145 145 VAL H H 8.46 0.02 1 1375 145 145 VAL HA H 4.19 0.02 1 1376 145 145 VAL HB H 2.05 0.02 1 1377 145 145 VAL HG1 H 0.59 0.02 2 1378 145 145 VAL HG2 H 0.80 0.02 2 1379 145 145 VAL CA C 59.7 0.5 1 1380 145 145 VAL CB C 34.7 0.5 1 1381 145 145 VAL CG1 C 19.9 0.5 1 1382 145 145 VAL CG2 C 22.0 0.5 1 1383 145 145 VAL N N 116.3 0.5 1 1384 146 146 PHE H H 8.75 0.02 1 1385 146 146 PHE HA H 5.53 0.02 1 1386 146 146 PHE HB2 H 2.87 0.02 2 1387 146 146 PHE HB3 H 3.03 0.02 2 1388 146 146 PHE HD1 H 7.07 0.02 1 1389 146 146 PHE HD2 H 7.07 0.02 1 1390 146 146 PHE HE1 H 6.79 0.02 1 1391 146 146 PHE HE2 H 6.79 0.02 1 1392 146 146 PHE HZ H 7.23 0.02 1 1393 146 146 PHE CA C 56.0 0.5 1 1394 146 146 PHE CB C 41.7 0.5 1 1395 146 146 PHE CD1 C 131.2 0.5 1 1396 146 146 PHE CE1 C 130.5 0.5 1 1397 146 146 PHE CZ C 129.5 0.5 1 1398 146 146 PHE N N 120.1 0.5 1 1399 147 147 MET H H 9.25 0.02 1 1400 147 147 MET HA H 5.57 0.02 1 1401 147 147 MET HB2 H 1.28 0.02 2 1402 147 147 MET HB3 H 1.85 0.02 2 1403 147 147 MET HG2 H 1.83 0.02 2 1404 147 147 MET HG3 H 2.00 0.02 2 1405 147 147 MET HE H 1.23 0.02 1 1406 147 147 MET CA C 54.1 0.5 1 1407 147 147 MET CB C 39.1 0.5 1 1408 147 147 MET CG C 32.8 0.5 1 1409 147 147 MET CE C 16.8 0.5 1 1410 147 147 MET N N 117.8 0.5 1 1411 148 148 THR H H 9.35 0.02 1 1412 148 148 THR HA H 5.63 0.02 1 1413 148 148 THR HB H 4.28 0.02 1 1414 148 148 THR HG2 H 0.93 0.02 1 1415 148 148 THR CA C 60.0 0.5 1 1416 148 148 THR CB C 41.3 0.5 1 1417 148 148 THR CG2 C 18.8 0.5 1 1418 148 148 THR N N 113.1 0.5 1 1419 149 149 LYS H H 9.16 0.02 1 1420 149 149 LYS HA H 4.39 0.02 1 1421 149 149 LYS HB2 H -0.11 0.02 2 1422 149 149 LYS HB3 H 0.72 0.02 2 1423 149 149 LYS HG2 H 0.65 0.02 2 1424 149 149 LYS HG3 H 0.98 0.02 2 1425 149 149 LYS HD2 H 0.74 0.02 2 1426 149 149 LYS HD3 H 1.15 0.02 2 1427 149 149 LYS HE2 H 2.81 0.02 2 1428 149 149 LYS HE3 H 3.04 0.02 2 1429 149 149 LYS CA C 54.8 0.5 1 1430 149 149 LYS CB C 36.5 0.5 1 1431 149 149 LYS CG C 24.7 0.5 1 1432 149 149 LYS CD C 29.6 0.5 1 1433 149 149 LYS CE C 42.6 0.5 1 1434 149 149 LYS N N 129.7 0.5 1 1435 150 150 LYS H H 8.49 0.02 1 1436 150 150 LYS HA H 4.49 0.02 1 1437 150 150 LYS HB2 H 1.64 0.02 2 1438 150 150 LYS HB3 H 1.81 0.02 2 1439 150 150 LYS HG2 H 1.33 0.02 2 1440 150 150 LYS HG3 H 1.48 0.02 2 1441 150 150 LYS HD2 H 1.66 0.02 1 1442 150 150 LYS HD3 H 1.66 0.02 1 1443 150 150 LYS HE2 H 2.94 0.02 1 1444 150 150 LYS HE3 H 2.94 0.02 1 1445 150 150 LYS CA C 55.6 0.5 1 1446 150 150 LYS CB C 32.5 0.5 1 1447 150 150 LYS CG C 24.8 0.5 1 1448 150 150 LYS CD C 28.9 0.5 1 1449 150 150 LYS CE C 41.8 0.5 1 1450 150 150 LYS N N 126.2 0.5 1 1451 151 151 LEU H H 8.04 0.02 1 1452 151 151 LEU HA H 4.42 0.02 1 1453 151 151 LEU HB2 H 1.60 0.02 2 1454 151 151 LEU HB3 H 1.64 0.02 2 1455 151 151 LEU HG H 1.35 0.02 1 1456 151 151 LEU HD1 H 0.70 0.02 2 1457 151 151 LEU HD2 H 0.71 0.02 2 1458 151 151 LEU CA C 54.0 0.5 1 1459 151 151 LEU CB C 41.5 0.5 1 1460 151 151 LEU CG C 27.0 0.5 1 1461 151 151 LEU CD1 C 22.7 0.5 1 1462 151 151 LEU CD2 C 22.6 0.5 1 1463 151 151 LEU N N 125.5 0.5 1 1464 152 152 LEU H H 8.30 0.02 1 1465 152 152 LEU HA H 4.22 0.02 1 1466 152 152 LEU HB2 H 1.46 0.02 2 1467 152 152 LEU HB3 H 1.62 0.02 2 1468 152 152 LEU HG H 1.53 0.02 1 1469 152 152 LEU HD1 H 0.80 0.02 2 1470 152 152 LEU HD2 H 0.82 0.02 2 1471 152 152 LEU CA C 54.8 0.5 1 1472 152 152 LEU CB C 42.0 0.5 1 1473 152 152 LEU CG C 27.0 0.5 1 1474 152 152 LEU CD1 C 23.3 0.5 1 1475 152 152 LEU CD2 C 23.2 0.5 1 1476 152 152 LEU N N 119.7 0.5 1 1477 153 153 GLU H H 8.27 0.02 1 1478 153 153 GLU HA H 4.14 0.02 1 1479 153 153 GLU HB2 H 1.84 0.02 1 1480 153 153 GLU HB3 H 1.84 0.02 1 1481 153 153 GLU HG2 H 2.08 0.02 2 1482 153 153 GLU HG3 H 2.16 0.02 2 1483 153 153 GLU CA C 56.6 0.5 1 1484 153 153 GLU CB C 30.1 0.5 1 1485 153 153 GLU CG C 36.0 0.5 1 1486 153 153 GLU N N 120.5 0.5 1 1487 154 154 HIS H H 8.40 0.02 1 1488 154 154 HIS HA H 4.57 0.02 1 1489 154 154 HIS HB2 H 2.98 0.02 2 1490 154 154 HIS HB3 H 3.00 0.02 2 1491 154 154 HIS CA C 55.6 0.5 1 1492 154 154 HIS CB C 30.0 0.5 1 1493 154 154 HIS N N 119.5 0.5 1 1494 155 155 HIS H H 8.11 0.02 1 1495 155 155 HIS HA H 4.59 0.02 1 1496 155 155 HIS HB2 H 3.05 0.02 2 1497 155 155 HIS HB3 H 3.08 0.02 2 1498 155 155 HIS CA C 57.2 0.5 1 1499 155 155 HIS CB C 30.3 0.5 1 1500 155 155 HIS N N 125.1 0.5 1 stop_ save_