data_7201 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Bacillus subtilis YqbF ; _BMRB_accession_number 7201 _BMRB_flat_file_name bmr7201.str _Entry_type original _Submission_date 2006-06-29 _Accession_date 2006-06-29 _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 Ramelot Theresa A. . 2 Kennedy Michael A. . 3 Cort John R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 659 "13C chemical shifts" 477 "15N chemical shifts" 121 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-08-16 original author . stop_ _Original_release_date 2006-08-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of YqfB from Bacillus sbutilis' _Citation_status submitted _Citation_type 'BMRB only' _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ramelot Theresa A. . 2 Kennedy Michael A. . 3 Cort John R. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name YqbF _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label YqbF $YqfB stop_ _System_molecular_weight 12900 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_YqfB _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common YqfB _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 111 _Mol_residue_sequence ; MFTAKLIKGKTYNVMGITFR AGVSQTVPKKLYEYLNENPY FILTQELNNQKDDPINYTES ELKGMNKAEHESIISNLGRN PSDFKNADERIAYILKQIDN KGELEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 PHE 3 THR 4 ALA 5 LYS 6 LEU 7 ILE 8 LYS 9 GLY 10 LYS 11 THR 12 TYR 13 ASN 14 VAL 15 MET 16 GLY 17 ILE 18 THR 19 PHE 20 ARG 21 ALA 22 GLY 23 VAL 24 SER 25 GLN 26 THR 27 VAL 28 PRO 29 LYS 30 LYS 31 LEU 32 TYR 33 GLU 34 TYR 35 LEU 36 ASN 37 GLU 38 ASN 39 PRO 40 TYR 41 PHE 42 ILE 43 LEU 44 THR 45 GLN 46 GLU 47 LEU 48 ASN 49 ASN 50 GLN 51 LYS 52 ASP 53 ASP 54 PRO 55 ILE 56 ASN 57 TYR 58 THR 59 GLU 60 SER 61 GLU 62 LEU 63 LYS 64 GLY 65 MET 66 ASN 67 LYS 68 ALA 69 GLU 70 HIS 71 GLU 72 SER 73 ILE 74 ILE 75 SER 76 ASN 77 LEU 78 GLY 79 ARG 80 ASN 81 PRO 82 SER 83 ASP 84 PHE 85 LYS 86 ASN 87 ALA 88 ASP 89 GLU 90 ARG 91 ILE 92 ALA 93 TYR 94 ILE 95 LEU 96 LYS 97 GLN 98 ILE 99 ASP 100 ASN 101 LYS 102 GLY 103 GLU 104 LEU 105 GLU 106 HIS 107 HIS 108 HIS 109 HIS 110 HIS 111 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2HJQ "Nmr Structure Of Bacillus Subtilis Protein Yqbf, Northeast Structural Genomics Target Sr449" 100.00 111 100.00 100.00 4.59e-75 DBJ BAA06939 "ORF77 [Bacillus subtilis]" 92.79 103 100.00 100.00 2.90e-68 DBJ BAA12401 "YqbF [Bacillus subtilis]" 92.79 103 100.00 100.00 2.90e-68 DBJ BAM58678 "hypothetical protein BEST7003_2477 [Bacillus subtilis BEST7003]" 92.79 103 100.00 100.00 2.90e-68 EMBL CAB14554 "hypothetical protein; skin element [Bacillus subtilis subsp. subtilis str. 168]" 92.79 103 100.00 100.00 2.90e-68 EMBL CCU57216 "hypothetical protein BSUBE1_0585 [Bacillus subtilis E1]" 92.79 103 98.06 99.03 7.99e-67 EMBL CEI57837 "hypothetical protein BS49_28590 [Bacillus subtilis]" 92.79 103 100.00 100.00 2.90e-68 EMBL CEJ78259 "hypothetical protein BS34A_28590 [Bacillus sp.]" 92.79 103 100.00 100.00 2.90e-68 GB AGG62013 "skin element YqbF [Bacillus subtilis subsp. subtilis 6051-HGW]" 92.79 103 100.00 100.00 2.90e-68 GB AHA78498 "Uncharacterized protein yqbF [Bacillus subtilis PY79]" 92.79 103 100.00 100.00 2.90e-68 GB AIC41068 "hypothetical protein BSUA_02791 [Bacillus subtilis subsp. subtilis str. JH642 substr. AG174]" 92.79 103 100.00 100.00 2.90e-68 GB AIC45300 "yqbF [Bacillus subtilis subsp. subtilis str. AG1839]" 92.79 103 100.00 100.00 2.90e-68 GB AIY93937 "hypothetical protein QU35_14235 [Bacillus subtilis subsp. subtilis str. 168]" 92.79 103 100.00 100.00 2.90e-68 REF NP_390490 "hypothetical protein BSU26130 [Bacillus subtilis subsp. subtilis str. 168]" 92.79 103 100.00 100.00 2.90e-68 REF WP_003229923 "hypothetical protein [Bacillus subtilis]" 92.79 103 100.00 100.00 2.90e-68 REF WP_032725189 "hypothetical protein [Bacillus subtilis]" 92.79 103 98.06 99.03 7.99e-67 REF YP_007534596 "skin element YqbF [Bacillus subtilis subsp. subtilis 6051-HGW]" 92.79 103 100.00 100.00 2.90e-68 REF YP_008830707 "Uncharacterized protein yqbF [Bacillus subtilis PY79]" 92.79 103 100.00 100.00 2.90e-68 SP P45922 "RecName: Full=Uncharacterized protein YqbF [Bacillus subtilis subsp. subtilis str. 168]" 92.79 103 100.00 100.00 2.90e-68 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $YqfB 'Bacillus subtilis' 1423 Eubacteria . 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_type _Vector_name $YqfB 'recombinant technology' 'E. coli' . . . plasmid PET21 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 $YqfB 1.3 mM '[U-100% 13C; U-100% 15N]' NH4Oac 20 mM . NaCL 100 mM . DTT 10 mM . CaCl2 5 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ save_750MHz _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.5 .1 pH temperature 298 1 K 'ionic strength' 100 10 mM 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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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 YqbF _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.14 0.02 1 2 1 1 MET HE H 1.89 0.02 1 3 1 1 MET C C 173.6 0.2 1 4 1 1 MET CA C 61.2 0.2 1 5 1 1 MET CB C 34.4 0.2 1 6 1 1 MET CE C 16.9 0.2 1 7 2 2 PHE H H 8.74 0.02 1 8 2 2 PHE HA H 4.98 0.02 1 9 2 2 PHE HB2 H 2.72 0.02 2 10 2 2 PHE HB3 H 3.27 0.02 2 11 2 2 PHE HD1 H 6.49 0.02 3 12 2 2 PHE HD2 H 6.44 0.02 3 13 2 2 PHE HE1 H 6.99 0.02 1 14 2 2 PHE HE2 H 6.99 0.02 1 15 2 2 PHE C C 175.4 0.2 1 16 2 2 PHE CA C 57.0 0.2 1 17 2 2 PHE CB C 40.3 0.2 1 18 2 2 PHE CD1 C 131.6 0.02 3 19 2 2 PHE CD2 C 131.7 0.02 3 20 2 2 PHE CE1 C 130.5 0.02 1 21 2 2 PHE CE2 C 130.5 0.02 1 22 2 2 PHE N N 126.5 0.2 1 23 3 3 THR H H 9.07 0.02 1 24 3 3 THR HA H 5.43 0.02 1 25 3 3 THR HB H 4.06 0.02 2 26 3 3 THR HG2 H 1.09 0.02 1 27 3 3 THR C C 172.5 0.2 1 28 3 3 THR CA C 60.7 0.2 1 29 3 3 THR CB C 71.9 0.2 1 30 3 3 THR CG2 C 21.4 0.2 1 31 3 3 THR N N 114.7 0.2 1 32 4 4 ALA H H 9.06 0.02 1 33 4 4 ALA HA H 5.34 0.02 1 34 4 4 ALA HB H 1.17 0.02 1 35 4 4 ALA C C 175.4 0.2 1 36 4 4 ALA CA C 50.9 0.2 1 37 4 4 ALA CB C 24.5 0.2 1 38 4 4 ALA N N 123.5 0.2 1 39 5 5 LYS H H 8.48 0.02 1 40 5 5 LYS HA H 4.75 0.02 1 41 5 5 LYS HB2 H 1.58 0.02 2 42 5 5 LYS HB3 H 1.80 0.02 2 43 5 5 LYS HG2 H 1.07 0.02 1 44 5 5 LYS HG3 H 1.07 0.02 1 45 5 5 LYS HD2 H 1.58 0.02 1 46 5 5 LYS HD3 H 1.58 0.02 1 47 5 5 LYS HE2 H 2.80 0.02 1 48 5 5 LYS HE3 H 2.80 0.02 1 49 5 5 LYS C C 173.9 0.2 1 50 5 5 LYS CA C 55.0 0.2 1 51 5 5 LYS CB C 36.3 0.2 1 52 5 5 LYS CG C 24.5 0.2 1 53 5 5 LYS CD C 29.5 0.2 1 54 5 5 LYS CE C 41.5 0.2 1 55 5 5 LYS N N 121.0 0.2 1 56 6 6 LEU H H 9.68 0.02 1 57 6 6 LEU HA H 3.72 0.02 1 58 6 6 LEU HB2 H 1.51 0.02 1 59 6 6 LEU HB3 H 1.51 0.02 1 60 6 6 LEU HG H 0.47 0.02 1 61 6 6 LEU HD1 H 0.38 0.02 2 62 6 6 LEU HD2 H 0.38 0.02 2 63 6 6 LEU C C 177.1 0.2 1 64 6 6 LEU CA C 54.9 0.2 1 65 6 6 LEU CB C 42.9 0.2 1 66 6 6 LEU CG C 26.0 0.2 1 67 6 6 LEU CD1 C 23.6 0.02 1 68 6 6 LEU CD2 C 23.6 0.02 1 69 6 6 LEU N N 131.1 0.2 1 70 7 7 ILE H H 8.64 0.02 1 71 7 7 ILE HA H 4.61 0.02 1 72 7 7 ILE HB H 2.11 0.02 1 73 7 7 ILE HG12 H 0.96 0.02 1 74 7 7 ILE HG13 H 0.96 0.02 1 75 7 7 ILE HG2 H 0.81 0.02 1 76 7 7 ILE HD1 H 0.71 0.02 1 77 7 7 ILE C C 175.3 0.2 1 78 7 7 ILE CA C 60.5 0.2 1 79 7 7 ILE CB C 39.5 0.2 1 80 7 7 ILE CG1 C 27.0 0.2 1 81 7 7 ILE CG2 C 19.3 0.2 1 82 7 7 ILE CD1 C 14.4 0.2 1 83 7 7 ILE N N 119.6 0.2 1 84 8 8 LYS H H 6.83 0.02 1 85 8 8 LYS HA H 4.50 0.02 1 86 8 8 LYS HB2 H 1.37 0.02 2 87 8 8 LYS HB3 H 1.29 0.02 2 88 8 8 LYS HG2 H 1.13 0.02 2 89 8 8 LYS HG3 H 1.03 0.02 2 90 8 8 LYS HD2 H 1.20 0.02 2 91 8 8 LYS HD3 H 1.08 0.02 2 92 8 8 LYS HE2 H 2.68 0.02 1 93 8 8 LYS HE3 H 2.68 0.02 1 94 8 8 LYS C C 174.8 0.2 1 95 8 8 LYS CA C 55.6 0.2 1 96 8 8 LYS CB C 35.6 0.2 1 97 8 8 LYS CG C 24.6 0.2 1 98 8 8 LYS CD C 28.5 0.2 1 99 8 8 LYS CE C 41.9 0.2 1 100 8 8 LYS N N 121.5 0.2 1 101 9 9 GLY H H 8.27 0.02 1 102 9 9 GLY HA2 H 4.28 0.02 2 103 9 9 GLY HA3 H 3.78 0.02 2 104 9 9 GLY CA C 44.2 0.2 1 105 9 9 GLY N N 110.2 0.2 1 106 10 10 LYS H H 8.56 0.02 1 107 10 10 LYS HA H 4.42 0.02 1 108 10 10 LYS HB2 H 1.91 0.02 1 109 10 10 LYS HB3 H 1.91 0.02 1 110 10 10 LYS HG2 H 1.48 0.02 1 111 10 10 LYS HG3 H 1.48 0.02 1 112 10 10 LYS HD2 H 1.71 0.02 1 113 10 10 LYS HD3 H 1.71 0.02 1 114 10 10 LYS HE2 H 3.00 0.02 1 115 10 10 LYS HE3 H 3.00 0.02 1 116 10 10 LYS C C 177.8 0.2 1 117 10 10 LYS CA C 58.4 0.2 1 118 10 10 LYS CB C 34.4 0.2 1 119 10 10 LYS CG C 25.0 0.2 1 120 10 10 LYS CD C 28.7 0.2 1 121 10 10 LYS CE C 42.2 0.2 1 122 10 10 LYS N N 117.5 0.2 1 123 11 11 THR H H 7.75 0.02 1 124 11 11 THR HA H 5.40 0.02 1 125 11 11 THR HB H 4.15 0.02 2 126 11 11 THR HG2 H 1.14 0.02 1 127 11 11 THR C C 173.7 0.2 1 128 11 11 THR CA C 59.7 0.2 1 129 11 11 THR CB C 72.9 0.2 1 130 11 11 THR CG2 C 21.8 0.2 1 131 11 11 THR N N 109.9 0.2 1 132 12 12 TYR H H 8.58 0.02 1 133 12 12 TYR HA H 4.60 0.02 1 134 12 12 TYR HB2 H 3.02 0.02 2 135 12 12 TYR HB3 H 3.07 0.02 2 136 12 12 TYR HD1 H 7.07 0.02 1 137 12 12 TYR HD2 H 7.07 0.02 1 138 12 12 TYR HE1 H 6.52 0.02 1 139 12 12 TYR HE2 H 6.52 0.02 1 140 12 12 TYR C C 173.8 0.2 1 141 12 12 TYR CA C 58.7 0.2 1 142 12 12 TYR CB C 44.1 0.2 1 143 12 12 TYR CD1 C 133.5 0.02 1 144 12 12 TYR CD2 C 133.5 0.02 1 145 12 12 TYR CE1 C 118.1 0.02 1 146 12 12 TYR CE2 C 118.1 0.02 1 147 12 12 TYR N N 123.5 0.2 1 148 13 13 ASN H H 8.60 0.02 1 149 13 13 ASN HA H 6.04 0.02 1 150 13 13 ASN HB2 H 2.62 0.02 1 151 13 13 ASN HB3 H 2.62 0.02 1 152 13 13 ASN HD21 H 6.66 0.02 2 153 13 13 ASN HD22 H 7.33 0.02 2 154 13 13 ASN C C 173.8 0.2 1 155 13 13 ASN CA C 52.4 0.2 1 156 13 13 ASN CB C 41.0 0.2 1 157 13 13 ASN N N 128.2 0.2 1 158 13 13 ASN ND2 N 112.9 0.2 1 159 14 14 VAL H H 9.15 0.02 1 160 14 14 VAL HA H 4.40 0.02 1 161 14 14 VAL HB H 2.47 0.02 1 162 14 14 VAL HG1 H 1.16 0.02 1 163 14 14 VAL HG2 H 1.16 0.02 1 164 14 14 VAL C C 173.2 0.2 1 165 14 14 VAL CA C 61.2 0.2 1 166 14 14 VAL CB C 33.8 0.2 1 167 14 14 VAL CG1 C 20.4 0.02 1 168 14 14 VAL CG2 C 21.7 0.02 1 169 14 14 VAL N N 123.8 0.2 1 170 15 15 MET H H 9.14 0.02 1 171 15 15 MET HA H 3.82 0.02 1 172 15 15 MET HB2 H 1.86 0.02 1 173 15 15 MET HB3 H 1.86 0.02 1 174 15 15 MET HG2 H 2.28 0.02 2 175 15 15 MET HG3 H 2.41 0.02 2 176 15 15 MET HE H 1.62 0.02 1 177 15 15 MET C C 175.1 0.2 1 178 15 15 MET CA C 56.9 0.2 1 179 15 15 MET CB C 31.2 0.2 1 180 15 15 MET CG C 33.6 0.2 1 181 15 15 MET CE C 17.1 0.2 1 182 15 15 MET N N 123.5 0.2 1 183 16 16 GLY H H 8.41 0.02 1 184 16 16 GLY HA2 H 3.62 0.02 2 185 16 16 GLY HA3 H 4.13 0.02 2 186 16 16 GLY C C 174.0 0.2 1 187 16 16 GLY CA C 45.4 0.2 1 188 16 16 GLY N N 103.2 0.2 1 189 17 17 ILE H H 8.19 0.02 1 190 17 17 ILE HA H 4.15 0.02 1 191 17 17 ILE HB H 1.98 0.02 1 192 17 17 ILE HG12 H 1.09 0.02 2 193 17 17 ILE HG13 H 1.39 0.02 2 194 17 17 ILE HG2 H 0.18 0.02 1 195 17 17 ILE HD1 H 0.78 0.02 1 196 17 17 ILE C C 175.0 0.2 1 197 17 17 ILE CA C 59.9 0.2 1 198 17 17 ILE CB C 39.1 0.2 1 199 17 17 ILE CG1 C 27.2 0.2 1 200 17 17 ILE CG2 C 17.0 0.2 1 201 17 17 ILE CD1 C 12.1 0.2 1 202 17 17 ILE N N 124.4 0.2 1 203 18 18 THR H H 8.48 0.02 1 204 18 18 THR HA H 4.88 0.02 1 205 18 18 THR HB H 3.94 0.02 2 206 18 18 THR HG2 H 1.16 0.02 1 207 18 18 THR C C 174.2 0.2 1 208 18 18 THR CA C 62.3 0.2 1 209 18 18 THR CB C 69.6 0.2 1 210 18 18 THR CG2 C 21.7 0.2 1 211 18 18 THR N N 122.4 0.2 1 212 19 19 PHE H H 9.54 0.02 1 213 19 19 PHE HA H 4.73 0.02 1 214 19 19 PHE HB2 H 3.47 0.02 2 215 19 19 PHE HB3 H 3.17 0.02 2 216 19 19 PHE HD1 H 7.65 0.02 1 217 19 19 PHE HD2 H 7.65 0.02 1 218 19 19 PHE HE1 H 7.17 0.02 1 219 19 19 PHE HE2 H 7.17 0.02 1 220 19 19 PHE HZ H 6.93 0.02 1 221 19 19 PHE C C 175.1 0.2 1 222 19 19 PHE CA C 57.9 0.2 1 223 19 19 PHE CB C 40.9 0.2 1 224 19 19 PHE CD1 C 132.3 0.02 1 225 19 19 PHE CD2 C 132.3 0.02 1 226 19 19 PHE CE1 C 130.9 0.02 1 227 19 19 PHE CE2 C 130.9 0.02 1 228 19 19 PHE CZ C 129 0.2 1 229 19 19 PHE N N 127.8 0.2 1 230 20 20 ARG H H 9.00 0.02 1 231 20 20 ARG HA H 4.98 0.02 1 232 20 20 ARG HB2 H 1.70 0.02 2 233 20 20 ARG HB3 H 1.97 0.02 2 234 20 20 ARG HG2 H 1.67 0.02 1 235 20 20 ARG HG3 H 1.67 0.02 1 236 20 20 ARG HD2 H 3.27 0.02 1 237 20 20 ARG HD3 H 3.27 0.02 1 238 20 20 ARG HE H 7.19 0.02 1 239 20 20 ARG C C 177.3 0.2 1 240 20 20 ARG CA C 54.4 0.2 1 241 20 20 ARG CB C 32.3 0.2 1 242 20 20 ARG CG C 27.6 0.2 1 243 20 20 ARG CD C 43.2 0.2 1 244 20 20 ARG N N 119.9 0.2 1 245 20 20 ARG NE N 85.3 0.2 1 246 21 21 ALA H H 8.05 0.02 1 247 21 21 ALA HA H 3.85 0.02 1 248 21 21 ALA HB H 1.43 0.02 1 249 21 21 ALA C C 178.6 0.2 1 250 21 21 ALA CA C 54.0 0.2 1 251 21 21 ALA CB C 18.1 0.2 1 252 21 21 ALA N N 127.2 0.2 1 253 22 22 GLY H H 8.90 0.02 1 254 22 22 GLY HA2 H 3.62 0.02 2 255 22 22 GLY HA3 H 4.26 0.02 2 256 22 22 GLY C C 173.5 0.2 1 257 22 22 GLY CA C 46.1 0.2 1 258 22 22 GLY N N 108.3 0.2 1 259 23 23 VAL H H 7.62 0.02 1 260 23 23 VAL HA H 4.39 0.02 1 261 23 23 VAL HB H 2.24 0.02 1 262 23 23 VAL HG1 H 1.01 0.02 1 263 23 23 VAL HG2 H 0.91 0.02 1 264 23 23 VAL C C 176.5 0.2 1 265 23 23 VAL CA C 61.7 0.2 1 266 23 23 VAL CB C 32.4 0.2 1 267 23 23 VAL CG1 C 21.1 0.02 1 268 23 23 VAL CG2 C 20.8 0.02 1 269 23 23 VAL N N 121.2 0.2 1 270 24 24 SER H H 9.12 0.02 1 271 24 24 SER HA H 4.67 0.02 1 272 24 24 SER HB2 H 3.80 0.02 2 273 24 24 SER HB3 H 3.83 0.02 2 274 24 24 SER C C 173.6 0.2 1 275 24 24 SER CA C 59.5 0.2 1 276 24 24 SER CB C 63.3 0.2 1 277 24 24 SER N N 126.5 0.2 1 278 25 25 GLN H H 8.93 0.02 1 279 25 25 GLN HA H 4.91 0.02 1 280 25 25 GLN HB2 H 2.07 0.02 1 281 25 25 GLN HB3 H 2.07 0.02 1 282 25 25 GLN HG2 H 2.38 0.02 1 283 25 25 GLN HG3 H 2.38 0.02 1 284 25 25 GLN HE21 H 6.28 0.02 2 285 25 25 GLN HE22 H 7.45 0.02 2 286 25 25 GLN C C 175.2 0.2 1 287 25 25 GLN CA C 54.8 0.2 1 288 25 25 GLN CB C 32.8 0.2 1 289 25 25 GLN CG C 34.2 0.2 1 290 25 25 GLN N N 122.9 0.2 1 291 25 25 GLN NE2 N 112.2 0.2 1 292 26 26 THR H H 8.68 0.02 1 293 26 26 THR HA H 5.04 0.02 1 294 26 26 THR HB H 4.20 0.02 2 295 26 26 THR HG2 H 1.32 0.02 1 296 26 26 THR C C 175.3 0.2 1 297 26 26 THR CA C 62.6 0.2 1 298 26 26 THR CB C 69.3 0.2 1 299 26 26 THR CG2 C 22.8 0.2 1 300 26 26 THR N N 119.9 0.2 1 301 27 27 VAL H H 8.83 0.02 1 302 27 27 VAL HA H 5.16 0.02 1 303 27 27 VAL HB H 2.28 0.02 1 304 27 27 VAL HG1 H 1.21 0.02 1 305 27 27 VAL HG2 H 0.81 0.02 1 306 27 27 VAL CA C 57.2 0.2 1 307 27 27 VAL CB C 34.3 0.2 1 308 27 27 VAL CG1 C 23.7 0.02 1 309 27 27 VAL CG2 C 18.6 0.02 1 310 27 27 VAL N N 117.5 0.2 1 311 28 28 PRO HA H 4.80 0.02 1 312 28 28 PRO HB2 H 2.02 0.02 2 313 28 28 PRO HB3 H 2.54 0.02 2 314 28 28 PRO HG2 H 2.01 0.02 2 315 28 28 PRO HG3 H 2.17 0.02 2 316 28 28 PRO HD2 H 3.57 0.02 2 317 28 28 PRO HD3 H 3.95 0.02 2 318 28 28 PRO C C 177.4 0.2 1 319 28 28 PRO CA C 61.7 0.2 1 320 28 28 PRO CB C 32.5 0.2 1 321 28 28 PRO CG C 27.5 0.2 1 322 29 29 LYS H H 8.91 0.02 1 323 29 29 LYS HA H 2.98 0.02 1 324 29 29 LYS HB2 H 1.68 0.02 1 325 29 29 LYS HB3 H 1.68 0.02 1 326 29 29 LYS HG2 H 0.74 0.02 2 327 29 29 LYS HG3 H 1.13 0.02 2 328 29 29 LYS HD2 H 1.69 0.02 1 329 29 29 LYS HD3 H 1.69 0.02 1 330 29 29 LYS HE2 H 2.97 0.02 1 331 29 29 LYS HE3 H 2.97 0.02 1 332 29 29 LYS C C 177.5 0.2 1 333 29 29 LYS CA C 60.1 0.2 1 334 29 29 LYS CB C 32.7 0.2 1 335 29 29 LYS CG C 24.5 0.2 1 336 29 29 LYS CD C 29.5 0.2 1 337 29 29 LYS CE C 42.1 0.2 1 338 29 29 LYS N N 124.6 0.2 1 339 30 30 LYS H H 8.61 0.02 1 340 30 30 LYS HA H 4.09 0.02 1 341 30 30 LYS HB2 H 1.86 0.02 1 342 30 30 LYS HB3 H 1.86 0.02 1 343 30 30 LYS HG2 H 1.39 0.02 1 344 30 30 LYS HG3 H 1.39 0.02 1 345 30 30 LYS HD2 H 1.70 0.02 1 346 30 30 LYS HD3 H 1.70 0.02 1 347 30 30 LYS HE2 H 2.98 0.02 1 348 30 30 LYS HE3 H 2.98 0.02 1 349 30 30 LYS C C 178.7 0.2 1 350 30 30 LYS CA C 59.1 0.2 1 351 30 30 LYS CB C 32.3 0.2 1 352 30 30 LYS CG C 24.7 0.2 1 353 30 30 LYS CD C 29.0 0.2 1 354 30 30 LYS CE C 41.9 0.2 1 355 30 30 LYS N N 114.5 0.2 1 356 31 31 LEU H H 7.03 0.02 1 357 31 31 LEU HA H 4.31 0.02 1 358 31 31 LEU HB2 H 1.70 0.02 1 359 31 31 LEU HB3 H 1.70 0.02 1 360 31 31 LEU HG H 1.70 0.02 1 361 31 31 LEU HD1 H 1.05 0.02 1 362 31 31 LEU HD2 H 1.05 0.02 1 363 31 31 LEU C C 177.1 0.2 1 364 31 31 LEU CA C 56.9 0.2 1 365 31 31 LEU CB C 42.3 0.2 1 366 31 31 LEU CG C 28.3 0.2 1 367 31 31 LEU CD1 C 26.0 0.02 1 368 31 31 LEU CD2 C 24.5 0.02 1 369 31 31 LEU N N 120.5 0.2 1 370 32 32 TYR H H 7.73 0.02 1 371 32 32 TYR HA H 3.63 0.02 1 372 32 32 TYR HB2 H 2.83 0.02 2 373 32 32 TYR HB3 H 2.48 0.02 2 374 32 32 TYR HD1 H 6.65 0.02 3 375 32 32 TYR HD2 H 6.68 0.02 3 376 32 32 TYR HE1 H 6.81 0.02 1 377 32 32 TYR HE2 H 6.81 0.02 1 378 32 32 TYR C C 177.1 0.2 1 379 32 32 TYR CA C 62.0 0.2 1 380 32 32 TYR CB C 38.3 0.2 1 381 32 32 TYR CD1 C 133.4 0.02 3 382 32 32 TYR CD2 C 133.5 0.02 3 383 32 32 TYR CE1 C 119.3 0.02 1 384 32 32 TYR CE2 C 119.3 0.02 1 385 32 32 TYR N N 120.9 0.2 1 386 33 33 GLU H H 8.36 0.02 1 387 33 33 GLU HA H 3.75 0.02 1 388 33 33 GLU HB2 H 1.96 0.02 2 389 33 33 GLU HB3 H 2.07 0.02 2 390 33 33 GLU HG2 H 2.21 0.02 2 391 33 33 GLU HG3 H 2.46 0.02 2 392 33 33 GLU C C 179.3 0.2 1 393 33 33 GLU CA C 59.1 0.2 1 394 33 33 GLU CB C 29.4 0.2 1 395 33 33 GLU CG C 37.0 0.2 1 396 33 33 GLU N N 115.2 0.2 1 397 34 34 TYR H H 7.59 0.02 1 398 34 34 TYR HA H 4.17 0.02 1 399 34 34 TYR HB2 H 3.11 0.02 2 400 34 34 TYR HB3 H 3.27 0.02 2 401 34 34 TYR HD1 H 6.86 0.02 3 402 34 34 TYR HD2 H 6.94 0.02 3 403 34 34 TYR HE1 H 6.72 0.02 3 404 34 34 TYR HE2 H 6.80 0.02 3 405 34 34 TYR C C 177.1 0.2 1 406 34 34 TYR CA C 60.8 0.2 1 407 34 34 TYR CB C 39.1 0.2 1 408 34 34 TYR CD1 C 133.2 0.02 3 409 34 34 TYR CD2 C 133.0 0.02 3 410 34 34 TYR CE1 C 118.6 0.02 3 411 34 34 TYR CE2 C 118.3 0.02 3 412 34 34 TYR N N 120.9 0.2 1 413 35 35 LEU H H 7.60 0.02 1 414 35 35 LEU HA H 3.95 0.02 1 415 35 35 LEU HB2 H 1.02 0.02 1 416 35 35 LEU HB3 H 1.02 0.02 1 417 35 35 LEU HG H 1.61 0.02 1 418 35 35 LEU HD1 H -0.37 0.02 1 419 35 35 LEU HD2 H 0.22 0.02 1 420 35 35 LEU C C 176.1 0.2 1 421 35 35 LEU CA C 54.3 0.2 1 422 35 35 LEU CB C 42.7 0.2 1 423 35 35 LEU CG C 25.7 0.2 1 424 35 35 LEU CD1 C 24.4 0.02 1 425 35 35 LEU CD2 C 21.9 0.02 1 426 35 35 LEU N N 115.7 0.2 1 427 36 36 ASN H H 7.07 0.02 1 428 36 36 ASN HA H 3.98 0.02 1 429 36 36 ASN HB2 H 2.50 0.02 2 430 36 36 ASN HB3 H 2.84 0.02 2 431 36 36 ASN HD21 H 6.60 0.02 2 432 36 36 ASN HD22 H 7.29 0.02 2 433 36 36 ASN C C 175.6 0.2 1 434 36 36 ASN CA C 56.4 0.2 1 435 36 36 ASN CB C 39.1 0.2 1 436 36 36 ASN N N 119.5 0.2 1 437 36 36 ASN ND2 N 112 0.2 1 438 37 37 GLU H H 8.47 0.02 1 439 37 37 GLU HA H 3.97 0.02 1 440 37 37 GLU HB2 H 2.00 0.02 2 441 37 37 GLU HB3 H 2.20 0.02 2 442 37 37 GLU HG2 H 2.23 0.02 1 443 37 37 GLU HG3 H 2.23 0.02 1 444 37 37 GLU C C 175.0 0.2 1 445 37 37 GLU CA C 57.1 0.2 1 446 37 37 GLU CB C 28.0 0.2 1 447 37 37 GLU CG C 36.6 0.2 1 448 37 37 GLU N N 117.6 0.2 1 449 38 38 ASN H H 8.00 0.02 1 450 38 38 ASN HA H 4.89 0.02 1 451 38 38 ASN HB2 H 2.56 0.02 2 452 38 38 ASN HB3 H 3.05 0.02 2 453 38 38 ASN HD21 H 6.39 0.02 2 454 38 38 ASN HD22 H 7.48 0.02 2 455 38 38 ASN CA C 51.2 0.2 1 456 38 38 ASN CB C 39.7 0.2 1 457 38 38 ASN N N 121.8 0.2 1 458 38 38 ASN ND2 N 110.4 0.2 1 459 39 39 PRO HA H 4.55 0.02 1 460 39 39 PRO HB2 H 1.91 0.02 2 461 39 39 PRO HB3 H 2.23 0.02 2 462 39 39 PRO HG2 H 1.64 0.02 2 463 39 39 PRO HG3 H 2.04 0.02 2 464 39 39 PRO HD2 H 3.77 0.02 2 465 39 39 PRO HD3 H 4.05 0.02 2 466 39 39 PRO C C 177.0 0.2 1 467 39 39 PRO CA C 63.9 0.2 1 468 39 39 PRO CB C 32.0 0.2 1 469 39 39 PRO CG C 26.8 0.2 1 470 39 39 PRO CD C 50.9 0.2 1 471 40 40 TYR H H 8.68 0.02 1 472 40 40 TYR HA H 4.09 0.02 1 473 40 40 TYR HB2 H 2.56 0.02 2 474 40 40 TYR HB3 H 2.68 0.02 2 475 40 40 TYR HD1 H 7.12 0.02 1 476 40 40 TYR HD2 H 7.12 0.02 1 477 40 40 TYR HE1 H 6.86 0.02 1 478 40 40 TYR HE2 H 6.86 0.02 1 479 40 40 TYR C C 173.9 0.2 1 480 40 40 TYR CA C 58.5 0.2 1 481 40 40 TYR CB C 36.6 0.2 1 482 40 40 TYR CG C 36.6 0.2 1 483 40 40 TYR CD1 C 132.7 0.02 1 484 40 40 TYR CD2 C 132.7 0.02 1 485 40 40 TYR CE1 C 118.0 0.02 1 486 40 40 TYR CE2 C 118.0 0.02 1 487 40 40 TYR N N 118.8 0.2 1 488 41 41 PHE H H 7.55 0.02 1 489 41 41 PHE HA H 5.31 0.02 1 490 41 41 PHE HB2 H 2.56 0.02 1 491 41 41 PHE HB3 H 2.56 0.02 1 492 41 41 PHE HD1 H 5.69 0.02 3 493 41 41 PHE HD2 H 6.44 0.02 3 494 41 41 PHE HE1 H 7.04 0.02 1 495 41 41 PHE HE2 H 7.04 0.02 1 496 41 41 PHE C C 175.6 0.2 1 497 41 41 PHE CA C 57.0 0.2 1 498 41 41 PHE CB C 44.6 0.2 1 499 41 41 PHE CD1 C 130.6 0.02 3 500 41 41 PHE CD2 C 131.0 0.02 3 501 41 41 PHE CE1 C 130.8 0.02 1 502 41 41 PHE CE2 C 130.8 0.02 1 503 41 41 PHE N N 115.2 0.2 1 504 42 42 ILE H H 8.79 0.02 1 505 42 42 ILE HA H 4.47 0.02 1 506 42 42 ILE HB H 1.67 0.02 1 507 42 42 ILE HG12 H 1.19 0.02 1 508 42 42 ILE HG13 H 1.19 0.02 1 509 42 42 ILE HG2 H 0.91 0.02 1 510 42 42 ILE HD1 H 0.91 0.02 1 511 42 42 ILE C C 175.6 0.2 1 512 42 42 ILE CA C 60.6 0.2 1 513 42 42 ILE CB C 40.4 0.2 1 514 42 42 ILE CG1 C 27.6 0.2 1 515 42 42 ILE CG2 C 17.0 0.2 1 516 42 42 ILE CD1 C 12.9 0.2 1 517 42 42 ILE N N 117.9 0.2 1 518 43 43 LEU H H 8.87 0.02 1 519 43 43 LEU HA H 5.49 0.02 1 520 43 43 LEU HB2 H 1.68 0.02 1 521 43 43 LEU HB3 H 1.68 0.02 1 522 43 43 LEU HG H 1.57 0.02 1 523 43 43 LEU HD1 H 0.46 0.02 1 524 43 43 LEU HD2 H 0.67 0.02 1 525 43 43 LEU CA C 53.5 0.2 1 526 43 43 LEU CB C 43.5 0.2 1 527 43 43 LEU CG C 27.1 0.2 1 528 43 43 LEU CD1 C 25.3 0.02 1 529 43 43 LEU CD2 C 24.3 0.02 1 530 43 43 LEU N N 131.0 0.2 1 531 44 44 THR H H 8.91 0.02 1 532 44 44 THR HA H 4.85 0.02 1 533 44 44 THR HB H 4.10 0.02 2 534 44 44 THR HG2 H 1.14 0.02 1 535 44 44 THR C C 172.2 0.2 1 536 44 44 THR CA C 60.9 0.2 1 537 44 44 THR CB C 72.1 0.2 1 538 44 44 THR CG2 C 21.7 0.2 1 539 44 44 THR N N 114.4 0.2 1 540 45 45 GLN H H 8.42 0.02 1 541 45 45 GLN HA H 4.94 0.02 1 542 45 45 GLN HB2 H 1.75 0.02 2 543 45 45 GLN HB3 H 1.95 0.02 2 544 45 45 GLN HG2 H 2.13 0.02 1 545 45 45 GLN HG3 H 2.13 0.02 1 546 45 45 GLN HE21 H 6.87 0.02 2 547 45 45 GLN HE22 H 7.07 0.02 2 548 45 45 GLN C C 174.7 0.2 1 549 45 45 GLN CA C 54.2 0.2 1 550 45 45 GLN CB C 31.3 0.2 1 551 45 45 GLN CG C 33.6 0.2 1 552 45 45 GLN N N 119.9 0.2 1 553 45 45 GLN NE2 N 110.3 0.2 1 554 46 46 GLU H H 8.51 0.02 1 555 46 46 GLU HA H 4.55 0.02 1 556 46 46 GLU HB2 H 1.71 0.02 2 557 46 46 GLU HB3 H 1.97 0.02 2 558 46 46 GLU HG2 H 2.10 0.02 1 559 46 46 GLU HG3 H 2.10 0.02 1 560 46 46 GLU C C 175.3 0.2 1 561 46 46 GLU CA C 54.8 0.2 1 562 46 46 GLU CB C 32.2 0.2 1 563 46 46 GLU CG C 35.6 0.2 1 564 46 46 GLU N N 122.7 0.2 1 565 47 47 LEU H H 8.54 0.02 1 566 47 47 LEU HA H 4.29 0.02 1 567 47 47 LEU HB2 H 1.60 0.02 1 568 47 47 LEU HB3 H 1.60 0.02 1 569 47 47 LEU HD1 H 0.89 0.02 1 570 47 47 LEU HD2 H 0.83 0.02 1 571 47 47 LEU C C 176.9 0.2 1 572 47 47 LEU CA C 55.6 0.2 1 573 47 47 LEU CB C 42.3 0.2 1 574 47 47 LEU CG C 27.2 0.2 1 575 47 47 LEU CD1 C 25.1 0.02 1 576 47 47 LEU CD2 C 23.6 0.02 1 577 47 47 LEU N N 123.6 0.2 1 578 48 48 ASN H H 8.39 0.02 1 579 48 48 ASN HA H 4.63 0.02 1 580 48 48 ASN HB2 H 2.70 0.02 2 581 48 48 ASN HB3 H 2.80 0.02 2 582 48 48 ASN HD21 H 6.90 0.02 2 583 48 48 ASN HD22 H 7.58 0.02 2 584 48 48 ASN C C 174.8 0.2 1 585 48 48 ASN CA C 53.2 0.2 1 586 48 48 ASN CB C 38.9 0.2 1 587 48 48 ASN N N 118.3 0.2 1 588 48 48 ASN ND2 N 113 0.2 1 589 49 49 ASN H H 8.45 0.02 1 590 49 49 ASN HA H 4.68 0.02 1 591 49 49 ASN HB2 H 2.70 0.02 2 592 49 49 ASN HB3 H 2.80 0.02 2 593 49 49 ASN HD21 H 6.85 0.02 2 594 49 49 ASN HD22 H 7.57 0.02 2 595 49 49 ASN C C 175.1 0.2 1 596 49 49 ASN CA C 53.3 0.2 1 597 49 49 ASN CB C 38.8 0.2 1 598 49 49 ASN N N 119.4 0.2 1 599 49 49 ASN ND2 N 112.7 0.2 1 600 50 50 GLN H H 8.33 0.02 1 601 50 50 GLN HA H 4.28 0.02 1 602 50 50 GLN HB2 H 1.98 0.02 2 603 50 50 GLN HB3 H 2.11 0.02 2 604 50 50 GLN HG2 H 2.35 0.02 1 605 50 50 GLN HG3 H 2.35 0.02 1 606 50 50 GLN HE21 H 6.82 0.02 2 607 50 50 GLN HE22 H 7.22 0.02 2 608 50 50 GLN C C 175.9 0.2 1 609 50 50 GLN CA C 56.1 0.2 1 610 50 50 GLN CB C 29.3 0.2 1 611 50 50 GLN CG C 33.7 0.2 1 612 50 50 GLN N N 120.6 0.2 1 613 50 50 GLN NE2 N 111.9 0.2 1 614 51 51 LYS H H 8.28 0.02 1 615 51 51 LYS HA H 4.28 0.02 1 616 51 51 LYS HB2 H 1.74 0.02 2 617 51 51 LYS HB3 H 1.81 0.02 2 618 51 51 LYS HG2 H 1.41 0.02 1 619 51 51 LYS HG3 H 1.41 0.02 1 620 51 51 LYS HD2 H 1.66 0.02 1 621 51 51 LYS HD3 H 1.66 0.02 1 622 51 51 LYS HE2 H 3.00 0.02 1 623 51 51 LYS HE3 H 3.00 0.02 1 624 51 51 LYS CA C 56.6 0.2 1 625 51 51 LYS CB C 32.9 0.2 1 626 51 51 LYS CG C 24.4 0.2 1 627 51 51 LYS CD C 28.9 0.2 1 628 51 51 LYS CE C 42.1 0.2 1 629 51 51 LYS N N 121.9 0.2 1 630 52 52 ASP H H 8.26 0.02 1 631 52 52 ASP HA H 4.61 0.02 1 632 52 52 ASP HB2 H 2.68 0.02 2 633 52 52 ASP HB3 H 2.56 0.02 2 634 52 52 ASP C C 175.5 0.2 1 635 52 52 ASP CA C 54.2 0.2 1 636 52 52 ASP CB C 41.2 0.2 1 637 52 52 ASP N N 120.9 0.2 1 638 53 53 ASP H H 8.08 0.02 1 639 53 53 ASP HA H 4.84 0.02 1 640 53 53 ASP HB2 H 2.47 0.02 2 641 53 53 ASP HB3 H 2.68 0.02 2 642 53 53 ASP CA C 52.6 0.2 1 643 53 53 ASP CB C 40.9 0.2 1 644 53 53 ASP CG C 27.5 0.2 1 645 53 53 ASP N N 121.8 0.2 1 646 54 54 PRO HA H 4.37 0.02 1 647 54 54 PRO HB2 H 1.83 0.02 2 648 54 54 PRO HB3 H 2.21 0.02 2 649 54 54 PRO HG2 H 1.98 0.02 1 650 54 54 PRO HG3 H 1.98 0.02 1 651 54 54 PRO HD2 H 3.68 0.02 2 652 54 54 PRO HD3 H 3.77 0.02 2 653 54 54 PRO C C 176.5 0.2 1 654 54 54 PRO CA C 63.0 0.2 1 655 54 54 PRO CB C 32.1 0.2 1 656 54 54 PRO CG C 26.8 0.2 1 657 54 54 PRO CD C 50.7 0.2 1 658 55 55 ILE H H 8.14 0.02 1 659 55 55 ILE HA H 3.96 0.02 1 660 55 55 ILE HB H 1.74 0.02 1 661 55 55 ILE HG12 H 1.11 0.02 2 662 55 55 ILE HG13 H 1.45 0.02 2 663 55 55 ILE HG2 H 0.84 0.02 1 664 55 55 ILE HD1 H 0.84 0.02 1 665 55 55 ILE C C 175.1 0.2 1 666 55 55 ILE CA C 61.0 0.2 1 667 55 55 ILE CB C 38.4 0.2 1 668 55 55 ILE CG1 C 26.9 0.2 1 669 55 55 ILE CG2 C 17.2 0.2 1 670 55 55 ILE CD1 C 14.4 0.2 1 671 55 55 ILE N N 119.9 0.2 1 672 56 56 ASN H H 7.90 0.02 1 673 56 56 ASN HA H 4.69 0.02 1 674 56 56 ASN HB2 H 2.52 0.02 2 675 56 56 ASN HB3 H 2.62 0.02 2 676 56 56 ASN HD21 H 6.74 0.02 2 677 56 56 ASN HD22 H 7.47 0.02 2 678 56 56 ASN C C 173.9 0.2 1 679 56 56 ASN CA C 52.7 0.2 1 680 56 56 ASN CB C 39.4 0.2 1 681 56 56 ASN N N 122.0 0.2 1 682 56 56 ASN ND2 N 112.1 0.2 1 683 57 57 TYR H H 7.06 0.02 1 684 57 57 TYR HA H 4.85 0.02 1 685 57 57 TYR HB2 H 2.38 0.02 2 686 57 57 TYR HB3 H 3.09 0.02 2 687 57 57 TYR HD1 H 6.97 0.02 1 688 57 57 TYR HD2 H 6.97 0.02 1 689 57 57 TYR HE1 H 6.84 0.02 1 690 57 57 TYR HE2 H 6.84 0.02 1 691 57 57 TYR C C 175.3 0.2 1 692 57 57 TYR CA C 57.6 0.2 1 693 57 57 TYR CB C 41.7 0.2 1 694 57 57 TYR CD1 C 132.8 0.02 1 695 57 57 TYR CD2 C 132.8 0.02 1 696 57 57 TYR CE1 C 119.3 0.02 1 697 57 57 TYR CE2 C 119.3 0.02 1 698 57 57 TYR N N 119.3 0.2 1 699 58 58 THR H H 8.53 0.02 1 700 58 58 THR HA H 4.57 0.02 1 701 58 58 THR HG2 H 1.30 0.02 1 702 58 58 THR C C 175.5 0.2 1 703 58 58 THR CA C 59.8 0.2 1 704 58 58 THR CB C 71.6 0.2 1 705 58 58 THR CG2 C 21.8 0.2 1 706 58 58 THR N N 110.3 0.2 1 707 59 59 GLU H H 9.19 0.02 1 708 59 59 GLU HA H 3.76 0.02 1 709 59 59 GLU HB2 H 1.98 0.02 2 710 59 59 GLU HB3 H 2.11 0.02 2 711 59 59 GLU HG2 H 2.24 0.02 1 712 59 59 GLU HG3 H 2.24 0.02 1 713 59 59 GLU C C 177.9 0.2 1 714 59 59 GLU CA C 60.8 0.2 1 715 59 59 GLU CB C 29.4 0.2 1 716 59 59 GLU CG C 36.1 0.2 1 717 59 59 GLU N N 122.1 0.2 1 718 60 60 SER H H 8.48 0.02 1 719 60 60 SER HA H 4.06 0.02 1 720 60 60 SER HB2 H 3.87 0.02 1 721 60 60 SER HB3 H 3.87 0.02 1 722 60 60 SER HG H 4.30 0.02 1 723 60 60 SER C C 177.5 0.2 1 724 60 60 SER CA C 61.8 0.2 1 725 60 60 SER CB C 62.3 0.2 1 726 60 60 SER N N 112.3 0.2 1 727 61 61 GLU H H 7.70 0.02 1 728 61 61 GLU HA H 4.04 0.02 1 729 61 61 GLU HB2 H 2.06 0.02 1 730 61 61 GLU HB3 H 2.06 0.02 1 731 61 61 GLU HG2 H 2.24 0.02 2 732 61 61 GLU HG3 H 2.45 0.02 2 733 61 61 GLU C C 180.0 0.2 1 734 61 61 GLU CA C 59.0 0.2 1 735 61 61 GLU CB C 30.0 0.2 1 736 61 61 GLU CG C 37.0 0.2 1 737 61 61 GLU N N 122.1 0.2 1 738 62 62 LEU H H 8.26 0.02 1 739 62 62 LEU HA H 4.27 0.02 1 740 62 62 LEU HB2 H 1.23 0.02 2 741 62 62 LEU HB3 H 2.02 0.02 2 742 62 62 LEU HG H 1.80 0.02 1 743 62 62 LEU HD1 H 0.76 0.02 1 744 62 62 LEU HD2 H 0.67 0.02 1 745 62 62 LEU C C 167.7 0.2 1 746 62 62 LEU CA C 57.8 0.2 1 747 62 62 LEU CB C 43.0 0.2 1 748 62 62 LEU CG C 27.7 0.2 1 749 62 62 LEU CD1 C 27.1 0.02 1 750 62 62 LEU CD2 C 23.7 0.02 1 751 62 62 LEU N N 119.3 0.2 1 752 63 63 LYS H H 8.56 0.02 1 753 63 63 LYS HA H 4.15 0.02 1 754 63 63 LYS HB2 H 1.90 0.02 1 755 63 63 LYS HB3 H 1.90 0.02 1 756 63 63 LYS HG2 H 1.47 0.02 2 757 63 63 LYS HG3 H 1.67 0.02 2 758 63 63 LYS HD2 H 1.68 0.02 1 759 63 63 LYS HD3 H 1.68 0.02 1 760 63 63 LYS HE2 H 2.94 0.02 1 761 63 63 LYS HE3 H 2.94 0.02 1 762 63 63 LYS C C 177.6 0.2 1 763 63 63 LYS CA C 59.2 0.2 1 764 63 63 LYS CB C 32.4 0.2 1 765 63 63 LYS CG C 26.3 0.2 1 766 63 63 LYS CD C 29.2 0.2 1 767 63 63 LYS CE C 41.9 0.2 1 768 63 63 LYS N N 120.0 0.2 1 769 64 64 GLY H H 7.36 0.02 1 770 64 64 GLY HA2 H 3.75 0.02 2 771 64 64 GLY HA3 H 4.29 0.02 2 772 64 64 GLY C C 173.9 0.2 1 773 64 64 GLY CA C 45.0 0.2 1 774 64 64 GLY N N 104.3 0.2 1 775 65 65 MET H H 7.07 0.02 1 776 65 65 MET HA H 4.41 0.02 1 777 65 65 MET HB2 H 1.76 0.02 2 778 65 65 MET HB3 H 1.91 0.02 2 779 65 65 MET HG2 H 2.49 0.02 2 780 65 65 MET HG3 H 2.80 0.02 2 781 65 65 MET HE H 1.56 0.02 1 782 65 65 MET C C 174.7 0.2 1 783 65 65 MET CA C 55.6 0.2 1 784 65 65 MET CB C 35.1 0.2 1 785 65 65 MET CG C 32.9 0.2 1 786 65 65 MET CE C 17.9 0.2 1 787 65 65 MET N N 120.1 0.2 1 788 66 66 ASN H H 8.61 0.02 1 789 66 66 ASN HA H 4.57 0.02 1 790 66 66 ASN HB2 H 2.78 0.02 2 791 66 66 ASN HB3 H 3.09 0.02 2 792 66 66 ASN HD21 H 6.69 0.02 2 793 66 66 ASN HD22 H 7.38 0.02 2 794 66 66 ASN C C 174.4 0.2 1 795 66 66 ASN CA C 50.9 0.2 1 796 66 66 ASN CB C 39.9 0.2 1 797 66 66 ASN N N 117.5 0.2 1 798 66 66 ASN ND2 N 111.4 0.2 1 799 67 67 LYS H H 8.11 0.02 1 800 67 67 LYS HA H 3.93 0.02 1 801 67 67 LYS HB2 H 1.69 0.02 2 802 67 67 LYS HB3 H 1.80 0.02 2 803 67 67 LYS HG2 H 1.15 0.02 1 804 67 67 LYS HG3 H 1.15 0.02 1 805 67 67 LYS HD2 H 1.59 0.02 1 806 67 67 LYS HD3 H 1.59 0.02 1 807 67 67 LYS HE2 H 2.93 0.02 1 808 67 67 LYS HE3 H 2.93 0.02 1 809 67 67 LYS C C 177.4 0.2 1 810 67 67 LYS CA C 60.2 0.2 1 811 67 67 LYS CB C 33.5 0.2 1 812 67 67 LYS CG C 24.5 0.2 1 813 67 67 LYS CD C 29.9 0.2 1 814 67 67 LYS CE C 42.0 0.2 1 815 67 67 LYS N N 119.0 0.2 1 816 68 68 ALA H H 8.13 0.02 1 817 68 68 ALA HA H 4.18 0.02 1 818 68 68 ALA HB H 1.43 0.02 1 819 68 68 ALA C C 168.0 0.2 1 820 68 68 ALA CA C 55.2 0.2 1 821 68 68 ALA CB C 18.0 0.2 1 822 68 68 ALA N N 120.5 0.2 1 823 69 69 GLU H H 8.04 0.02 1 824 69 69 GLU HA H 4.06 0.02 1 825 69 69 GLU HB2 H 1.94 0.02 2 826 69 69 GLU HB3 H 2.07 0.02 2 827 69 69 GLU HG2 H 2.22 0.02 2 828 69 69 GLU HG3 H 2.45 0.02 2 829 69 69 GLU C C 180.1 0.2 1 830 69 69 GLU CA C 59.3 0.2 1 831 69 69 GLU CB C 29.7 0.2 1 832 69 69 GLU CG C 37.2 0.2 1 833 69 69 GLU N N 119.8 0.2 1 834 70 70 HIS H H 8.17 0.02 1 835 70 70 HIS HA H 4.24 0.02 1 836 70 70 HIS HB2 H 2.77 0.02 2 837 70 70 HIS HB3 H 3.48 0.02 2 838 70 70 HIS C C 178.7 0.2 1 839 70 70 HIS CA C 58.1 0.2 1 840 70 70 HIS CB C 33.5 0.2 1 841 70 70 HIS N N 118.0 0.2 1 842 71 71 GLU H H 9.08 0.02 1 843 71 71 GLU HA H 3.75 0.02 1 844 71 71 GLU HB2 H 1.95 0.02 2 845 71 71 GLU HB3 H 2.24 0.02 2 846 71 71 GLU HG2 H 2.04 0.02 2 847 71 71 GLU HG3 H 2.94 0.02 2 848 71 71 GLU C C 178.3 0.2 1 849 71 71 GLU CA C 61.1 0.2 1 850 71 71 GLU CB C 28.5 0.2 1 851 71 71 GLU CG C 38.3 0.2 1 852 71 71 GLU N N 116.7 0.2 1 853 72 72 SER H H 8.01 0.02 1 854 72 72 SER HA H 4.29 0.02 1 855 72 72 SER HB2 H 4.06 0.02 1 856 72 72 SER HB3 H 4.06 0.02 1 857 72 72 SER C C 176.7 0.2 1 858 72 72 SER CA C 61.7 0.2 1 859 72 72 SER CB C 62.7 0.2 1 860 72 72 SER N N 116.1 0.2 1 861 73 73 ILE H H 7.54 0.02 1 862 73 73 ILE HA H 3.79 0.02 1 863 73 73 ILE HB H 1.93 0.02 1 864 73 73 ILE HG12 H 0.92 0.02 1 865 73 73 ILE HG13 H 0.92 0.02 1 866 73 73 ILE HG2 H 0.93 0.02 1 867 73 73 ILE HD1 H 0.58 0.02 1 868 73 73 ILE C C 178.3 0.2 1 869 73 73 ILE CA C 65.5 0.2 1 870 73 73 ILE CB C 38.7 0.2 1 871 73 73 ILE CG1 C 29.2 0.2 1 872 73 73 ILE CG2 C 18.0 0.2 1 873 73 73 ILE CD1 C 14.4 0.2 1 874 73 73 ILE N N 122.0 0.2 1 875 74 74 ILE H H 8.40 0.02 1 876 74 74 ILE HA H 3.53 0.02 1 877 74 74 ILE HB H 1.77 0.02 1 878 74 74 ILE HG12 H 1.77 0.02 2 879 74 74 ILE HG13 H 1.86 0.02 2 880 74 74 ILE HG2 H 0.75 0.02 1 881 74 74 ILE HD1 H 0.46 0.02 1 882 74 74 ILE C C 177.8 0.2 1 883 74 74 ILE CA C 66.6 0.2 1 884 74 74 ILE CB C 38.8 0.2 1 885 74 74 ILE CG1 C 30.4 0.2 1 886 74 74 ILE CG2 C 18.2 0.2 1 887 74 74 ILE CD1 C 12.6 0.2 1 888 74 74 ILE N N 119.4 0.2 1 889 75 75 SER H H 8.65 0.02 1 890 75 75 SER HA H 4.76 0.02 1 891 75 75 SER HB2 H 3.99 0.02 2 892 75 75 SER HB3 H 4.06 0.02 2 893 75 75 SER C C 178.9 0.2 1 894 75 75 SER CA C 61.7 0.2 1 895 75 75 SER CB C 63.0 0.2 1 896 75 75 SER N N 115.1 0.2 1 897 76 76 ASN H H 7.98 0.02 1 898 76 76 ASN HA H 4.61 0.02 1 899 76 76 ASN HB2 H 3.07 0.02 2 900 76 76 ASN HB3 H 3.16 0.02 2 901 76 76 ASN HD21 H 6.95 0.02 2 902 76 76 ASN HD22 H 7.62 0.02 2 903 76 76 ASN C C 176.9 0.2 1 904 76 76 ASN CA C 55.8 0.2 1 905 76 76 ASN CB C 38.5 0.2 1 906 76 76 ASN N N 122.0 0.2 1 907 76 76 ASN ND2 N 112.7 0.2 1 908 77 77 LEU H H 7.98 0.02 1 909 77 77 LEU HA H 4.41 0.02 1 910 77 77 LEU HB2 H 1.88 0.02 2 911 77 77 LEU HB3 H 2.28 0.02 2 912 77 77 LEU HG H 1.99 0.02 1 913 77 77 LEU HD1 H 0.82 0.02 1 914 77 77 LEU HD2 H 0.91 0.02 1 915 77 77 LEU C C 177.5 0.2 1 916 77 77 LEU CA C 55.6 0.2 1 917 77 77 LEU CB C 42.3 0.2 1 918 77 77 LEU CG C 26.7 0.2 1 919 77 77 LEU CD1 C 27.0 0.02 1 920 77 77 LEU CD2 C 22.8 0.02 1 921 77 77 LEU N N 120.1 0.2 1 922 78 78 GLY H H 7.96 0.02 1 923 78 78 GLY HA2 H 3.84 0.02 2 924 78 78 GLY HA3 H 4.30 0.02 2 925 78 78 GLY C C 174.2 0.2 1 926 78 78 GLY CA C 45.7 0.2 1 927 78 78 GLY N N 106.4 0.2 1 928 79 79 ARG H H 7.45 0.02 1 929 79 79 ARG HA H 4.68 0.02 1 930 79 79 ARG HB2 H 1.52 0.02 2 931 79 79 ARG HB3 H 1.69 0.02 2 932 79 79 ARG HG2 H 1.44 0.02 2 933 79 79 ARG HG3 H 1.62 0.02 2 934 79 79 ARG HD2 H 3.12 0.02 2 935 79 79 ARG HD3 H 3.20 0.02 2 936 79 79 ARG HE H 7.55 0.02 1 937 79 79 ARG C C 174.0 0.2 1 938 79 79 ARG CA C 52.5 0.2 1 939 79 79 ARG CB C 32.3 0.2 1 940 79 79 ARG CG C 26.4 0.2 1 941 79 79 ARG CD C 41.5 0.2 1 942 79 79 ARG N N 119.3 0.2 1 943 79 79 ARG NE N 83.6 0.2 1 944 80 80 ASN H H 8.68 0.02 1 945 80 80 ASN HA H 4.92 0.02 1 946 80 80 ASN HB2 H 2.70 0.02 2 947 80 80 ASN HB3 H 2.96 0.02 2 948 80 80 ASN HD21 H 6.84 0.02 2 949 80 80 ASN HD22 H 7.22 0.02 2 950 80 80 ASN CA C 50.5 0.2 1 951 80 80 ASN CB C 39.0 0.2 1 952 80 80 ASN N N 120.9 0.2 1 953 80 80 ASN ND2 N 111.2 0.2 1 954 81 81 PRO HA H 4.33 0.02 1 955 81 81 PRO HB2 H 2.11 0.02 2 956 81 81 PRO HB3 H 2.25 0.02 2 957 81 81 PRO HG2 H 1.97 0.02 2 958 81 81 PRO HG3 H 2.17 0.02 2 959 81 81 PRO HD2 H 3.94 0.02 2 960 81 81 PRO HD3 H 4.32 0.02 2 961 81 81 PRO C C 177.7 0.2 1 962 81 81 PRO CA C 65.1 0.2 1 963 81 81 PRO CB C 32.2 0.2 1 964 81 81 PRO CG C 27.7 0.2 1 965 81 81 PRO CD C 51.2 0.2 1 966 82 82 SER H H 8.16 0.02 1 967 82 82 SER HA H 4.30 0.02 1 968 82 82 SER HB2 H 3.87 0.02 1 969 82 82 SER HB3 H 3.87 0.02 1 970 82 82 SER C C 174.3 0.2 1 971 82 82 SER CA C 60.3 0.2 1 972 82 82 SER CB C 62.7 0.2 1 973 82 82 SER N N 112.6 0.2 1 974 83 83 ASP H H 7.73 0.02 1 975 83 83 ASP HA H 4.16 0.02 1 976 83 83 ASP HB2 H 2.08 0.02 1 977 83 83 ASP HB3 H 2.08 0.02 1 978 83 83 ASP C C 175.0 0.2 1 979 83 83 ASP CA C 55.5 0.2 1 980 83 83 ASP CB C 39.8 0.2 1 981 83 83 ASP N N 120.1 0.2 1 982 84 84 PHE H H 7.49 0.02 1 983 84 84 PHE HA H 4.69 0.02 1 984 84 84 PHE HB2 H 2.89 0.02 1 985 84 84 PHE HB3 H 2.89 0.02 1 986 84 84 PHE HD1 H 7.08 0.02 1 987 84 84 PHE HD2 H 7.08 0.02 1 988 84 84 PHE HE1 H 6.83 0.02 1 989 84 84 PHE HE2 H 6.83 0.02 1 990 84 84 PHE C C 176.0 0.2 1 991 84 84 PHE CA C 57.0 0.2 1 992 84 84 PHE CB C 41.5 0.2 1 993 84 84 PHE CD1 C 131.6 0.02 1 994 84 84 PHE CD2 C 131.6 0.02 1 995 84 84 PHE CE1 C 131.0 0.02 1 996 84 84 PHE CE2 C 131.0 0.02 1 997 84 84 PHE N N 118.4 0.2 1 998 85 85 LYS H H 9.15 0.02 1 999 85 85 LYS HA H 4.33 0.02 1 1000 85 85 LYS HB2 H 1.81 0.02 2 1001 85 85 LYS HB3 H 1.90 0.02 2 1002 85 85 LYS HG2 H 1.47 0.02 1 1003 85 85 LYS HG3 H 1.47 0.02 1 1004 85 85 LYS HD2 H 1.63 0.02 1 1005 85 85 LYS HD3 H 1.63 0.02 1 1006 85 85 LYS HE2 H 2.98 0.02 1 1007 85 85 LYS HE3 H 2.98 0.02 1 1008 85 85 LYS CA C 57.0 0.2 1 1009 85 85 LYS CB C 34.0 0.2 1 1010 85 85 LYS CG C 24.5 0.2 1 1011 85 85 LYS CD C 28.5 0.2 1 1012 85 85 LYS CE C 41.9 0.2 1 1013 85 85 LYS N N 120.4 0.2 1 1014 86 86 ASN H H 7.38 0.02 1 1015 86 86 ASN HA H 4.77 0.02 1 1016 86 86 ASN HB2 H 3.15 0.02 1 1017 86 86 ASN HB3 H 3.15 0.02 1 1018 86 86 ASN HD21 H 6.96 0.02 2 1019 86 86 ASN HD22 H 7.51 0.02 2 1020 86 86 ASN C C 174.7 0.2 1 1021 86 86 ASN CA C 52.0 0.2 1 1022 86 86 ASN CB C 40.1 0.2 1 1023 86 86 ASN N N 111.4 0.2 1 1024 86 86 ASN ND2 N 113.8 0.2 1 1025 87 87 ALA H H 8.88 0.02 1 1026 87 87 ALA HA H 4.10 0.02 1 1027 87 87 ALA HB H 1.58 0.02 1 1028 87 87 ALA C C 178.4 0.2 1 1029 87 87 ALA CA C 55.9 0.2 1 1030 87 87 ALA CB C 18.9 0.2 1 1031 87 87 ALA N N 121.9 0.2 1 1032 88 88 ASP H H 8.13 0.02 1 1033 88 88 ASP HA H 4.27 0.02 1 1034 88 88 ASP HB2 H 2.65 0.02 2 1035 88 88 ASP HB3 H 2.71 0.02 2 1036 88 88 ASP C C 179.6 0.2 1 1037 88 88 ASP CA C 57.8 0.2 1 1038 88 88 ASP CB C 39.8 0.2 1 1039 88 88 ASP N N 117.2 0.2 1 1040 89 89 GLU H H 8.37 0.02 1 1041 89 89 GLU HA H 4.15 0.02 1 1042 89 89 GLU HB2 H 2.15 0.02 2 1043 89 89 GLU HB3 H 2.38 0.02 2 1044 89 89 GLU HG2 H 2.38 0.02 2 1045 89 89 GLU HG3 H 2.79 0.02 2 1046 89 89 GLU C C 180.0 0.2 1 1047 89 89 GLU CA C 59.2 0.2 1 1048 89 89 GLU CB C 31.3 0.2 1 1049 89 89 GLU CG C 36.6 0.2 1 1050 89 89 GLU N N 118.7 0.2 1 1051 90 90 ARG H H 7.75 0.02 1 1052 90 90 ARG HA H 3.38 0.02 1 1053 90 90 ARG HB2 H 1.22 0.02 2 1054 90 90 ARG HB3 H 1.92 0.02 2 1055 90 90 ARG HG2 H 1.16 0.02 2 1056 90 90 ARG HG3 H 1.98 0.02 2 1057 90 90 ARG HD2 H 3.15 0.02 2 1058 90 90 ARG HD3 H 3.38 0.02 2 1059 90 90 ARG HE H 9.31 0.02 1 1060 90 90 ARG HH11 H 4.41 0.02 1 1061 90 90 ARG HH12 H 4.41 0.02 1 1062 90 90 ARG HH21 H 3.87 0.02 1 1063 90 90 ARG HH22 H 3.87 0.02 1 1064 90 90 ARG CA C 60.2 0.2 1 1065 90 90 ARG CB C 30.9 0.2 1 1066 90 90 ARG CD C 43.4 0.2 1 1067 90 90 ARG N N 118.8 0.2 1 1068 90 90 ARG NE N 86.8 0.2 1 1069 91 91 ILE H H 8.42 0.02 1 1070 91 91 ILE HA H 3.09 0.02 1 1071 91 91 ILE HB H 1.75 0.02 1 1072 91 91 ILE HG12 H 0.38 0.02 2 1073 91 91 ILE HG13 H 1.46 0.02 2 1074 91 91 ILE C C 176.7 0.2 1 1075 91 91 ILE CA C 66.0 0.2 1 1076 91 91 ILE CB C 38.3 0.2 1 1077 91 91 ILE CG1 C 30.2 0.2 1 1078 91 91 ILE CG2 C 16.4 0.2 1 1079 91 91 ILE CD1 C 13.6 0.2 1 1080 91 91 ILE N N 118.0 0.2 1 1081 92 92 ALA H H 7.90 0.02 1 1082 92 92 ALA HA H 3.99 0.02 1 1083 92 92 ALA HB H 1.48 0.02 1 1084 92 92 ALA C C 180.4 0.2 1 1085 92 92 ALA CA C 55.1 0.2 1 1086 92 92 ALA CB C 18.3 0.2 1 1087 92 92 ALA N N 119.1 0.2 1 1088 93 93 TYR H H 7.43 0.02 1 1089 93 93 TYR HA H 4.12 0.02 1 1090 93 93 TYR HB2 H 2.55 0.02 2 1091 93 93 TYR HB3 H 3.10 0.02 2 1092 93 93 TYR HD1 H 6.86 0.02 1 1093 93 93 TYR HD2 H 6.86 0.02 1 1094 93 93 TYR C C 177.0 0.2 1 1095 93 93 TYR CA C 61.8 0.2 1 1096 93 93 TYR CB C 38.8 0.2 1 1097 93 93 TYR CD1 C 133.2 0.02 1 1098 93 93 TYR CD2 C 133.2 0.02 1 1099 93 93 TYR N N 117.1 0.2 1 1100 94 94 ILE H H 7.84 0.02 1 1101 94 94 ILE HA H 3.00 0.02 1 1102 94 94 ILE HB H 1.65 0.02 1 1103 94 94 ILE HG12 H 1.63 0.02 2 1104 94 94 ILE HG13 H 1.94 0.02 2 1105 94 94 ILE HG2 H 0.80 0.02 1 1106 94 94 ILE HD1 H 0.63 0.02 1 1107 94 94 ILE C C 178.0 0.2 1 1108 94 94 ILE CA C 66.2 0.2 1 1109 94 94 ILE CB C 38.2 0.2 1 1110 94 94 ILE CG1 C 29.4 0.2 1 1111 94 94 ILE CG2 C 18.5 0.2 1 1112 94 94 ILE CD1 C 13.3 0.2 1 1113 94 94 ILE N N 119.4 0.2 1 1114 95 95 LEU H H 8.31 0.02 1 1115 95 95 LEU HA H 3.91 0.02 1 1116 95 95 LEU HB2 H 1.43 0.02 2 1117 95 95 LEU HB3 H 1.73 0.02 2 1118 95 95 LEU HG H 1.66 0.02 1 1119 95 95 LEU HD1 H 0.73 0.02 2 1120 95 95 LEU HD2 H 0.73 0.02 2 1121 95 95 LEU C C 179.4 0.2 1 1122 95 95 LEU CA C 57.7 0.2 1 1123 95 95 LEU CB C 41.7 0.2 1 1124 95 95 LEU CG C 26.0 0.2 1 1125 95 95 LEU CD1 C 23.9 0.02 1 1126 95 95 LEU CD2 C 23.9 0.02 1 1127 95 95 LEU N N 116.3 0.2 1 1128 96 96 LYS H H 7.50 0.02 1 1129 96 96 LYS HA H 4.09 0.02 1 1130 96 96 LYS HB2 H 1.86 0.02 1 1131 96 96 LYS HB3 H 1.86 0.02 1 1132 96 96 LYS HG2 H 1.45 0.02 2 1133 96 96 LYS HG3 H 1.52 0.02 2 1134 96 96 LYS HD2 H 1.70 0.02 1 1135 96 96 LYS HD3 H 1.70 0.02 1 1136 96 96 LYS HE2 H 3.01 0.02 1 1137 96 96 LYS HE3 H 3.01 0.02 1 1138 96 96 LYS C C 178.1 0.2 1 1139 96 96 LYS CA C 58.3 0.2 1 1140 96 96 LYS CB C 32.1 0.2 1 1141 96 96 LYS CG C 24.8 0.2 1 1142 96 96 LYS CD C 29.0 0.2 1 1143 96 96 LYS CE C 42.1 0.2 1 1144 96 96 LYS N N 118.4 0.2 1 1145 97 97 GLN H H 7.72 0.02 1 1146 97 97 GLN HA H 4.09 0.02 1 1147 97 97 GLN HB2 H 1.84 0.02 2 1148 97 97 GLN HB3 H 2.09 0.02 2 1149 97 97 GLN HG2 H 2.04 0.02 1 1150 97 97 GLN HG3 H 2.04 0.02 1 1151 97 97 GLN HE21 H 6.58 0.02 2 1152 97 97 GLN HE22 H 6.90 0.02 2 1153 97 97 GLN C C 177.8 0.2 1 1154 97 97 GLN CA C 56.2 0.2 1 1155 97 97 GLN CB C 27.9 0.2 1 1156 97 97 GLN CG C 32.9 0.2 1 1157 97 97 GLN N N 116.5 0.2 1 1158 97 97 GLN NE2 N 114.3 0.2 1 1159 98 98 ILE H H 7.74 0.02 1 1160 98 98 ILE HA H 3.98 0.02 1 1161 98 98 ILE HB H 1.98 0.02 1 1162 98 98 ILE HG12 H 1.29 0.02 2 1163 98 98 ILE HG13 H 1.66 0.02 2 1164 98 98 ILE HG2 H 0.96 0.02 1 1165 98 98 ILE HD1 H 0.96 0.02 1 1166 98 98 ILE C C 176.8 0.2 1 1167 98 98 ILE CA C 63.1 0.2 1 1168 98 98 ILE CB C 38.4 0.2 1 1169 98 98 ILE CG1 C 27.5 0.2 1 1170 98 98 ILE CG2 C 17.3 0.2 1 1171 98 98 ILE CD1 C 14.3 0.2 1 1172 98 98 ILE N N 118.2 0.2 1 1173 99 99 ASP H H 7.99 0.02 1 1174 99 99 ASP HA H 4.61 0.02 1 1175 99 99 ASP HB2 H 2.70 0.02 1 1176 99 99 ASP HB3 H 2.70 0.02 1 1177 99 99 ASP C C 176.6 0.2 1 1178 99 99 ASP CA C 55.1 0.2 1 1179 99 99 ASP CB C 41.1 0.2 1 1180 99 99 ASP N N 122.0 0.2 1 1181 100 100 ASN H H 8.15 0.02 1 1182 100 100 ASN HA H 4.67 0.02 1 1183 100 100 ASN HB2 H 2.84 0.02 1 1184 100 100 ASN HB3 H 2.84 0.02 1 1185 100 100 ASN HD21 H 6.88 0.02 2 1186 100 100 ASN HD22 H 7.56 0.02 2 1187 100 100 ASN C C 175.9 0.2 1 1188 100 100 ASN CA C 53.8 0.2 1 1189 100 100 ASN CB C 38.7 0.2 1 1190 100 100 ASN N N 118.9 0.2 1 1191 100 100 ASN ND2 N 112.2 0.2 1 1192 101 101 LYS H H 8.21 0.02 1 1193 101 101 LYS HA H 4.25 0.02 1 1194 101 101 LYS HB2 H 1.90 0.02 1 1195 101 101 LYS HB3 H 1.90 0.02 1 1196 101 101 LYS HG2 H 1.44 0.02 1 1197 101 101 LYS HG3 H 1.44 0.02 1 1198 101 101 LYS HD2 H 1.68 0.02 1 1199 101 101 LYS HD3 H 1.68 0.02 1 1200 101 101 LYS HE2 H 2.98 0.02 1 1201 101 101 LYS HE3 H 2.98 0.02 1 1202 101 101 LYS C C 177.5 0.2 1 1203 101 101 LYS CA C 57.3 0.2 1 1204 101 101 LYS CB C 32.3 0.2 1 1205 101 101 LYS CG C 24.8 0.2 1 1206 101 101 LYS CD C 28.8 0.2 1 1207 101 101 LYS CE C 42.1 0.2 1 1208 101 101 LYS N N 120.5 0.2 1 1209 102 102 GLY H H 8.32 0.02 1 1210 102 102 GLY HA2 H 3.94 0.02 1 1211 102 102 GLY HA3 H 3.94 0.02 1 1212 102 102 GLY CA C 45.8 0.2 1 1213 102 102 GLY N N 108.6 0.2 1 1214 103 103 GLU H H 8.16 0.02 1 1215 103 103 GLU HA H 4.25 0.02 1 1216 103 103 GLU HB2 H 1.97 0.02 2 1217 103 103 GLU HB3 H 2.07 0.02 2 1218 103 103 GLU HG2 H 2.28 0.02 1 1219 103 103 GLU HG3 H 2.28 0.02 1 1220 103 103 GLU C C 177.0 0.2 1 1221 103 103 GLU CA C 56.9 0.2 1 1222 103 103 GLU CB C 30.1 0.2 1 1223 103 103 GLU CG C 36.0 0.2 1 1224 103 103 GLU N N 120.5 0.2 1 1225 104 104 LEU H H 8.16 0.02 1 1226 104 104 LEU HA H 4.22 0.02 1 1227 104 104 LEU HB2 H 1.54 0.02 2 1228 104 104 LEU HB3 H 1.64 0.02 2 1229 104 104 LEU HG H 1.62 0.02 1 1230 104 104 LEU HD1 H 0.90 0.02 2 1231 104 104 LEU HD2 H 0.84 0.02 2 1232 104 104 LEU C C 177.7 0.2 1 1233 104 104 LEU CA C 55.9 0.2 1 1234 104 104 LEU CB C 42.2 0.2 1 1235 104 104 LEU CG C 27.0 0.2 1 1236 104 104 LEU CD1 C 24.8 0.02 2 1237 104 104 LEU CD2 C 23.4 0.02 2 1238 104 104 LEU N N 121.8 0.2 1 1239 105 105 GLU H H 8.14 0.02 1 1240 105 105 GLU C C 176.5 0.2 1 1241 105 105 GLU CA C 56.9 0.2 1 1242 105 105 GLU CB C 30.0 0.2 1 1243 105 105 GLU N N 119.7 0.2 1 1244 106 106 HIS H H 8.22 0.02 1 1245 106 106 HIS C C 173.7 0.2 1 1246 106 106 HIS CA C 55.7 0.2 1 1247 106 106 HIS CB C 29.7 0.2 1 1248 106 106 HIS N N 118.3 0.2 1 1249 107 107 HIS H H 8.25 0.02 1 1250 107 107 HIS C C 174.6 0.2 1 1251 107 107 HIS CA C 55.8 0.2 1 1252 107 107 HIS CB C 29.2 0.2 1 1253 107 107 HIS N N 125.3 0.2 1 1254 108 108 HIS H H 8.30 0.02 1 1255 108 108 HIS C C 172.7 0.2 1 1256 108 108 HIS CA C 44.3 0.2 1 1257 108 108 HIS N N 118.8 0.2 1 stop_ save_