data_16204 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for apo HisJ and holo HisJ ; _BMRB_accession_number 16204 _BMRB_flat_file_name bmr16204.str _Entry_type original _Submission_date 2009-03-08 _Accession_date 2009-03-08 _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 Igarashi Shunsuke . . 2 Osawa Masanori . . 3 Shimada Ichio . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 557 "13C chemical shifts" 702 "15N chemical shifts" 227 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-20 update BMRB 'complete entry citation' 2010-01-11 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone resonance assignments for the ligand binding subunit of the histidine permease complex (HisJ) from Escherichia coli, under histidine-bound and unbound states.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19921465 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Igarashi Shunsuke . . 2 Osawa Masanori . . 3 Ozawa Shin-Ichiro . . 4 Shimada Ichio . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 4 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 17 _Page_last 20 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'holo HisJ' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label subunit1 $HisJ ligand $HIS stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HisJ _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HisJ _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 238 _Mol_residue_sequence ; AIPQNIRIGTDPTYAPFESK NSQGELVGFDIDLAKELCKR INTQCTFVENPLDALIPSLK AKKIDAIMSSLSITEKRQQE IAFTDKLYAADSRLVVAKNS DIQPTVESLKGKRVGVLQGT TQETFGNEHWAPKGIEIVSY QGQDNIYSDLTAGRIDAAFQ DEVAASEGFLKQPVGKDYKF GGPSVKDEKLFGVGTGMGLR KEDNELREALNKAFAEMRAD GTYEKLAKKYFDFDVYGG ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ILE 3 PRO 4 GLN 5 ASN 6 ILE 7 ARG 8 ILE 9 GLY 10 THR 11 ASP 12 PRO 13 THR 14 TYR 15 ALA 16 PRO 17 PHE 18 GLU 19 SER 20 LYS 21 ASN 22 SER 23 GLN 24 GLY 25 GLU 26 LEU 27 VAL 28 GLY 29 PHE 30 ASP 31 ILE 32 ASP 33 LEU 34 ALA 35 LYS 36 GLU 37 LEU 38 CYS 39 LYS 40 ARG 41 ILE 42 ASN 43 THR 44 GLN 45 CYS 46 THR 47 PHE 48 VAL 49 GLU 50 ASN 51 PRO 52 LEU 53 ASP 54 ALA 55 LEU 56 ILE 57 PRO 58 SER 59 LEU 60 LYS 61 ALA 62 LYS 63 LYS 64 ILE 65 ASP 66 ALA 67 ILE 68 MET 69 SER 70 SER 71 LEU 72 SER 73 ILE 74 THR 75 GLU 76 LYS 77 ARG 78 GLN 79 GLN 80 GLU 81 ILE 82 ALA 83 PHE 84 THR 85 ASP 86 LYS 87 LEU 88 TYR 89 ALA 90 ALA 91 ASP 92 SER 93 ARG 94 LEU 95 VAL 96 VAL 97 ALA 98 LYS 99 ASN 100 SER 101 ASP 102 ILE 103 GLN 104 PRO 105 THR 106 VAL 107 GLU 108 SER 109 LEU 110 LYS 111 GLY 112 LYS 113 ARG 114 VAL 115 GLY 116 VAL 117 LEU 118 GLN 119 GLY 120 THR 121 THR 122 GLN 123 GLU 124 THR 125 PHE 126 GLY 127 ASN 128 GLU 129 HIS 130 TRP 131 ALA 132 PRO 133 LYS 134 GLY 135 ILE 136 GLU 137 ILE 138 VAL 139 SER 140 TYR 141 GLN 142 GLY 143 GLN 144 ASP 145 ASN 146 ILE 147 TYR 148 SER 149 ASP 150 LEU 151 THR 152 ALA 153 GLY 154 ARG 155 ILE 156 ASP 157 ALA 158 ALA 159 PHE 160 GLN 161 ASP 162 GLU 163 VAL 164 ALA 165 ALA 166 SER 167 GLU 168 GLY 169 PHE 170 LEU 171 LYS 172 GLN 173 PRO 174 VAL 175 GLY 176 LYS 177 ASP 178 TYR 179 LYS 180 PHE 181 GLY 182 GLY 183 PRO 184 SER 185 VAL 186 LYS 187 ASP 188 GLU 189 LYS 190 LEU 191 PHE 192 GLY 193 VAL 194 GLY 195 THR 196 GLY 197 MET 198 GLY 199 LEU 200 ARG 201 LYS 202 GLU 203 ASP 204 ASN 205 GLU 206 LEU 207 ARG 208 GLU 209 ALA 210 LEU 211 ASN 212 LYS 213 ALA 214 PHE 215 ALA 216 GLU 217 MET 218 ARG 219 ALA 220 ASP 221 GLY 222 THR 223 TYR 224 GLU 225 LYS 226 LEU 227 ALA 228 LYS 229 LYS 230 TYR 231 PHE 232 ASP 233 PHE 234 ASP 235 VAL 236 TYR 237 GLY 238 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-23 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 BMRB 16205 HisJ 100.00 238 100.00 100.00 1.94e-172 BMRB 19242 apo-HisJ 100.00 241 100.00 100.00 2.93e-172 BMRB 19245 Holo-HisJ 100.00 241 100.00 100.00 2.93e-172 PDB 1HPB "The Bacterial Periplasmic Histidine-Binding Protein: Structure(Slash)function Analysis Of The Ligand-Binding Site And Compariso" 100.00 238 98.32 99.16 9.07e-170 PDB 1HSL "Refined 1.89 Angstroms Structure Of The Histidine-Binding Protein Complexed With Histidine And Its Relationship With Many Other" 100.00 238 98.32 99.16 9.07e-170 PDB 2M8C "The Solution Nmr Structure Of E. Coli Apo-hisj" 100.00 241 100.00 100.00 2.93e-172 DBJ BAA16155 "histidine/lysine/arginine/ornithine transporter subunit [Escherichia coli str. K12 substr. W3110]" 100.00 260 100.00 100.00 3.86e-173 DBJ BAB36616 "histidine transport system histidine-binding periplasmic protein [Escherichia coli O157:H7 str. Sakai]" 100.00 260 100.00 100.00 3.86e-173 DBJ BAG66608 "histidine/lysine/arginine/ornithine transporter subunit [Escherichia coli O111:H-]" 100.00 260 99.58 100.00 6.25e-173 DBJ BAG78142 "histidine ABC transporter substrate binding component [Escherichia coli SE11]" 100.00 260 100.00 100.00 3.86e-173 DBJ BAI26504 "histidine/lysine/arginine/ornithine transporter subunit HisJ [Escherichia coli O26:H11 str. 11368]" 100.00 260 100.00 100.00 3.86e-173 EMBL CAA24658 "unnamed protein product [Salmonella enterica subsp. enterica serovar Typhimurium]" 100.00 260 98.32 99.16 2.04e-170 EMBL CAA24659 "unnamed protein product [Salmonella enterica subsp. enterica serovar Typhimurium]" 100.00 260 98.32 99.16 2.04e-170 EMBL CAD07586 "histidine-binding periplasmic protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 260 97.48 98.74 1.74e-169 EMBL CAJ55342 "periplasmic histidine-binding protein [Salmonella enterica subsp. enterica serovar Typhimurium]" 60.50 164 97.92 98.61 2.04e-97 EMBL CAJ55343 "periplasmic histidine-binding protein [Salmonella enterica subsp. enterica serovar Typhimurium]" 60.50 164 97.92 98.61 2.23e-97 GB AAA75578 "J protein [Salmonella enterica subsp. enterica serovar Typhimurium]" 100.00 260 98.32 99.16 2.04e-170 GB AAA85769 "histidine-binding periplasmic protein HisJ [Escherichia coli]" 100.00 260 99.58 99.58 2.40e-172 GB AAC75369 "histidine ABC transporter periplasmic binding protein [Escherichia coli str. K-12 substr. MG1655]" 100.00 260 100.00 100.00 3.86e-173 GB AAG57438 "histidine-binding periplasmic protein of high-affinity histidine transport system [Escherichia coli O157:H7 str. EDL933]" 100.00 260 100.00 100.00 3.86e-173 GB AAL21255 "histidine transport protein [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 100.00 260 98.32 99.16 2.04e-170 PIR AH0800 "histidine-binding periplasmic protein [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" 100.00 260 97.48 98.74 1.74e-169 PRF 0809313B "protein hisJ" 100.00 260 98.32 99.16 2.04e-170 REF NP_311220 "histidine transport system histidine-binding periplasmic protein [Escherichia coli O157:H7 str. Sakai]" 100.00 260 100.00 100.00 3.86e-173 REF NP_416812 "histidine ABC transporter periplasmic binding protein [Escherichia coli str. K-12 substr. MG1655]" 100.00 260 100.00 100.00 3.86e-173 REF NP_456896 "histidine ABC transporter substrate-binding protein HisJ [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 260 97.48 98.74 1.74e-169 REF NP_461296 "histidine ABC transporter substrate-binding protein HisJ [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 100.00 260 98.32 99.16 2.04e-170 REF NP_708191 "histidine ABC transporter substrate-binding protein HisJ [Shigella flexneri 2a str. 301]" 95.80 264 99.56 100.00 1.02e-164 SP P02910 "RecName: Full=Histidine-binding periplasmic protein; Short=HBP; Flags: Precursor" 100.00 260 98.32 99.16 2.04e-170 SP P0AEU0 "RecName: Full=Histidine-binding periplasmic protein; Short=HBP; Flags: Precursor" 100.00 260 100.00 100.00 3.86e-173 SP P0AEU1 "RecName: Full=Histidine-binding periplasmic protein; Short=HBP; Flags: Precursor" 100.00 260 100.00 100.00 3.86e-173 SP P0AEU2 "RecName: Full=Histidine-binding periplasmic protein; Short=HBP; Flags: Precursor" 100.00 260 100.00 100.00 3.86e-173 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_HIS _Saveframe_category polymer_residue _Mol_type 'L-peptide linking' _Name_common HISTIDINE _BMRB_code . _PDB_code HIS _Standard_residue_derivative . _Molecular_mass 156.162 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 19:25:19 2008 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? C C C . 0 . ? O O O . 0 . ? CB CB C . 0 . ? CG CG C . 0 . ? ND1 ND1 N . 1 . ? CD2 CD2 C . 0 . ? CE1 CE1 C . 0 . ? NE2 NE2 N . 0 . ? OXT OXT O . 0 . ? H H H . 0 . ? H2 H2 H . 0 . ? HA HA H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HD1 HD1 H . 0 . ? HD2 HD2 H . 0 . ? HE1 HE1 H . 0 . ? HE2 HE2 H . 0 . ? HXT HXT H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N H ? ? SING N H2 ? ? SING CA C ? ? SING CA CB ? ? SING CA HA ? ? DOUB C O ? ? SING C OXT ? ? SING CB CG ? ? SING CB HB2 ? ? SING CB HB3 ? ? SING CG ND1 ? ? DOUB CG CD2 ? ? DOUB ND1 CE1 ? ? SING ND1 HD1 ? ? SING CD2 NE2 ? ? SING CD2 HD2 ? ? SING CE1 NE2 ? ? SING CE1 HE1 ? ? SING NE2 HE2 ? ? SING OXT HXT ? ? stop_ save_ ############# # Ligands # ############# save_HIS _Saveframe_category ligand _Mol_type non-polymer _Name_common HIS _Molecular_mass . _Details . _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $HisJ 'E. coli' 562 Eubacteria . Escherichia coli BL21(DE3) 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 $HisJ 'recombinant technology' . Escherichia coli BL21(DE3) pET28a 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 H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' TSP 1 mM 'natural abundance' $HisJ 2 mM '[U-99% 13C; U-99% 15N]' $HIS 5 mM '[U-98% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 6.5 . pH pressure 1 . atm temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label TSP C 13 'methyl protons' ppm 0.00 internal indirect . . . 0.251449530 $entry_citation $entry_citation TSP H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation TSP N 15 'methyl protons' ppm 0.00 internal indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N TOCSY' '3D HBHA(CO)NH' '3D HN(CA)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name subunit1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 3 PRO HA H 4.417 0.013 1 2 3 3 PRO HB2 H 2.411 0.013 2 3 3 3 PRO HB3 H 1.812 0.013 2 4 3 3 PRO C C 173.473 0.503 1 5 3 3 PRO CA C 59.977 0.503 1 6 3 3 PRO CB C 29.867 0.503 1 7 4 4 GLN H H 8.419 0.013 1 8 4 4 GLN HA H 4.167 0.013 1 9 4 4 GLN C C 172.872 0.503 1 10 4 4 GLN CA C 55.090 0.503 1 11 4 4 GLN CB C 26.741 0.503 1 12 4 4 GLN N N 118.806 0.633 1 13 5 5 ASN H H 7.438 0.013 1 14 5 5 ASN HA H 5.421 0.013 1 15 5 5 ASN HB2 H 2.532 0.013 2 16 5 5 ASN C C 170.968 0.503 1 17 5 5 ASN CA C 49.552 0.503 1 18 5 5 ASN CB C 38.838 0.503 1 19 5 5 ASN N N 115.476 0.633 1 20 6 6 ILE H H 8.428 0.013 1 21 6 6 ILE HA H 4.397 0.013 1 22 6 6 ILE C C 172.023 0.503 1 23 6 6 ILE CA C 57.077 0.503 1 24 6 6 ILE CB C 38.657 0.503 1 25 6 6 ILE N N 119.363 0.633 1 26 7 7 ARG H H 9.208 0.013 1 27 7 7 ARG HA H 4.815 0.013 1 28 7 7 ARG HB2 H 1.733 0.013 2 29 7 7 ARG HB3 H 1.563 0.013 2 30 7 7 ARG C C 173.249 0.503 1 31 7 7 ARG CA C 51.696 0.503 1 32 7 7 ARG CB C 29.226 0.503 1 33 7 7 ARG N N 125.497 0.633 1 34 8 8 ILE H H 9.357 0.013 1 35 8 8 ILE HA H 4.537 0.013 1 36 8 8 ILE C C 173.001 0.503 1 37 8 8 ILE CA C 57.301 0.503 1 38 8 8 ILE CB C 35.819 0.503 1 39 8 8 ILE N N 126.873 0.633 1 40 9 9 GLY H H 9.416 0.013 1 41 9 9 GLY HA2 H 5.449 0.013 2 42 9 9 GLY C C 169.046 0.503 1 43 9 9 GLY CA C 42.488 0.503 1 44 9 9 GLY N N 114.334 0.633 1 45 10 10 THR H H 8.727 0.013 1 46 10 10 THR C C 166.632 0.503 1 47 10 10 THR CA C 59.371 0.503 1 48 10 10 THR CB C 68.167 0.503 1 49 10 10 THR N N 120.486 0.633 1 50 11 11 ASP H H 8.156 0.013 1 51 11 11 ASP HA H 5.507 0.013 1 52 11 11 ASP HB2 H 2.885 0.013 2 53 11 11 ASP C C 174.311 0.503 1 54 11 11 ASP CA C 47.357 0.503 1 55 11 11 ASP CB C 38.966 0.503 1 56 11 11 ASP N N 126.887 0.633 1 57 12 12 PRO HA H 4.480 0.013 1 58 12 12 PRO HB2 H 2.224 0.013 2 59 12 12 PRO HB3 H 1.375 0.013 2 60 12 12 PRO C C 173.245 0.503 1 61 12 12 PRO CA C 59.627 0.503 1 62 12 12 PRO CB C 26.237 0.503 1 63 13 13 THR H H 8.880 0.013 1 64 13 13 THR C C 171.222 0.503 1 65 13 13 THR CA C 57.611 0.503 1 66 13 13 THR CB C 67.673 0.503 1 67 13 13 THR N N 115.218 0.633 1 68 14 14 TYR H H 9.187 0.013 1 69 14 14 TYR HB2 H 2.800 0.013 2 70 14 14 TYR C C 172.716 0.503 1 71 14 14 TYR CA C 53.904 0.503 1 72 14 14 TYR CB C 38.998 0.503 1 73 14 14 TYR N N 129.712 0.633 1 74 15 15 ALA H H 8.655 0.013 1 75 15 15 ALA HA H 4.213 0.013 1 76 15 15 ALA HB H 1.327 0.013 1 77 15 15 ALA C C 172.114 0.503 1 78 15 15 ALA CA C 49.260 0.503 1 79 15 15 ALA CB C 14.663 0.503 1 80 15 15 ALA N N 129.266 0.633 1 81 16 16 PRO HA H 4.436 0.013 1 82 16 16 PRO HB2 H 2.018 0.013 2 83 16 16 PRO HB3 H 1.771 0.013 2 84 16 16 PRO C C 171.354 0.503 1 85 16 16 PRO CA C 60.775 0.503 1 86 16 16 PRO CB C 29.998 0.503 1 87 17 17 PHE H H 8.439 0.013 1 88 17 17 PHE HA H 4.448 0.013 1 89 17 17 PHE HB2 H 1.967 0.013 2 90 17 17 PHE HB3 H 1.781 0.013 2 91 17 17 PHE C C 173.857 0.503 1 92 17 17 PHE CA C 60.350 0.503 1 93 17 17 PHE N N 125.195 0.633 1 94 18 18 GLU H H 7.747 0.013 1 95 18 18 GLU HA H 4.828 0.013 1 96 18 18 GLU C C 171.138 0.503 1 97 18 18 GLU CA C 52.352 0.503 1 98 18 18 GLU CB C 27.131 0.503 1 99 18 18 GLU N N 111.702 0.633 1 100 19 19 SER H H 8.973 0.013 1 101 19 19 SER C C 169.042 0.503 1 102 19 19 SER CA C 54.890 0.503 1 103 19 19 SER CB C 60.851 0.503 1 104 19 19 SER N N 117.476 0.633 1 105 20 20 LYS H H 8.253 0.013 1 106 20 20 LYS HA H 5.548 0.013 1 107 20 20 LYS HB2 H 1.713 0.013 2 108 20 20 LYS C C 174.900 0.503 1 109 20 20 LYS CA C 51.574 0.503 1 110 20 20 LYS CB C 32.314 0.503 1 111 20 20 LYS CE C 39.035 0.503 1 112 20 20 LYS N N 117.286 0.633 1 113 21 21 ASN H H 8.598 0.013 1 114 21 21 ASN HA H 4.856 0.013 1 115 21 21 ASN C C 175.368 0.503 1 116 21 21 ASN CA C 48.089 0.503 1 117 21 21 ASN CB C 36.159 0.503 1 118 21 21 ASN N N 121.662 0.633 1 119 22 22 SER C C 172.699 0.503 1 120 22 22 SER CA C 58.880 0.503 1 121 22 22 SER CB C 60.234 0.503 1 122 23 23 GLN H H 7.585 0.013 1 123 23 23 GLN HA H 4.483 0.013 1 124 23 23 GLN C C 173.519 0.503 1 125 23 23 GLN CA C 53.018 0.503 1 126 23 23 GLN CB C 26.485 0.503 1 127 23 23 GLN N N 118.703 0.633 1 128 24 24 GLY H H 8.218 0.013 1 129 24 24 GLY HA2 H 4.284 0.013 2 130 24 24 GLY HA3 H 3.648 0.013 2 131 24 24 GLY C C 171.145 0.503 1 132 24 24 GLY CA C 43.071 0.503 1 133 24 24 GLY N N 108.097 0.633 1 134 25 25 GLU H H 7.881 0.013 1 135 25 25 GLU HA H 4.340 0.013 1 136 25 25 GLU C C 173.121 0.503 1 137 25 25 GLU CA C 52.522 0.503 1 138 25 25 GLU CB C 28.054 0.503 1 139 25 25 GLU N N 120.604 0.633 1 140 26 26 LEU H H 8.270 0.013 1 141 26 26 LEU HA H 4.779 0.013 1 142 26 26 LEU C C 173.798 0.503 1 143 26 26 LEU CA C 52.157 0.503 1 144 26 26 LEU CB C 39.823 0.503 1 145 26 26 LEU N N 122.962 0.633 1 146 27 27 VAL H H 8.948 0.013 1 147 27 27 VAL HA H 4.784 0.013 1 148 27 27 VAL C C 172.470 0.503 1 149 27 27 VAL CA C 56.189 0.503 1 150 27 27 VAL CB C 34.327 0.503 1 151 27 27 VAL N N 117.754 0.633 1 152 28 28 GLY H H 8.496 0.013 1 153 28 28 GLY HA2 H 4.546 0.013 2 154 28 28 GLY HA3 H 3.433 0.013 2 155 28 28 GLY C C 172.047 0.503 1 156 28 28 GLY CA C 41.780 0.503 1 157 28 28 GLY N N 108.889 0.633 1 158 29 29 PHE H H 8.053 0.013 1 159 29 29 PHE C C 175.116 0.503 1 160 29 29 PHE CA C 57.866 0.503 1 161 29 29 PHE CB C 36.989 0.503 1 162 29 29 PHE N N 119.411 0.633 1 163 30 30 ASP H H 9.164 0.013 1 164 30 30 ASP HA H 4.488 0.013 1 165 30 30 ASP C C 176.491 0.503 1 166 30 30 ASP CA C 54.138 0.503 1 167 30 30 ASP CB C 36.584 0.503 1 168 30 30 ASP N N 115.772 0.633 1 169 31 31 ILE H H 6.695 0.013 1 170 31 31 ILE HA H 3.612 0.013 1 171 31 31 ILE C C 175.278 0.503 1 172 31 31 ILE CA C 58.804 0.503 1 173 31 31 ILE CB C 31.930 0.503 1 174 31 31 ILE N N 118.663 0.633 1 175 32 32 ASP H H 8.533 0.013 1 176 32 32 ASP HA H 4.428 0.013 1 177 32 32 ASP C C 177.522 0.503 1 178 32 32 ASP CA C 55.022 0.503 1 179 32 32 ASP CB C 38.483 0.503 1 180 32 32 ASP N N 120.611 0.633 1 181 33 33 LEU H H 8.510 0.013 1 182 33 33 LEU HA H 3.830 0.013 1 183 33 33 LEU C C 175.777 0.503 1 184 33 33 LEU CA C 55.862 0.503 1 185 33 33 LEU CB C 40.693 0.503 1 186 33 33 LEU N N 119.899 0.633 1 187 34 34 ALA H H 8.502 0.013 1 188 34 34 ALA HA H 3.967 0.013 1 189 34 34 ALA C C 175.924 0.503 1 190 34 34 ALA CA C 53.077 0.503 1 191 34 34 ALA CB C 15.538 0.503 1 192 34 34 ALA N N 119.710 0.633 1 193 35 35 LYS H H 8.855 0.013 1 194 35 35 LYS HA H 4.032 0.013 1 195 35 35 LYS HB2 H 2.075 0.013 2 196 35 35 LYS C C 177.370 0.503 1 197 35 35 LYS CA C 58.444 0.503 1 198 35 35 LYS CB C 30.150 0.503 1 199 35 35 LYS N N 116.013 0.633 1 200 36 36 GLU H H 7.765 0.013 1 201 36 36 GLU HA H 4.272 0.013 1 202 36 36 GLU C C 175.670 0.503 1 203 36 36 GLU CA C 56.284 0.503 1 204 36 36 GLU CB C 26.283 0.503 1 205 36 36 GLU N N 120.960 0.633 1 206 37 37 LEU H H 8.622 0.013 1 207 37 37 LEU HA H 3.888 0.013 1 208 37 37 LEU C C 175.973 0.503 1 209 37 37 LEU CA C 56.379 0.503 1 210 37 37 LEU CB C 38.725 0.503 1 211 37 37 LEU N N 121.027 0.633 1 212 38 38 CYS H H 8.692 0.013 1 213 38 38 CYS C C 173.143 0.503 1 214 38 38 CYS CA C 60.122 0.503 1 215 38 38 CYS CB C 44.660 0.503 1 216 38 38 CYS N N 115.213 0.633 1 217 39 39 LYS H H 7.553 0.013 1 218 39 39 LYS HA H 4.185 0.013 1 219 39 39 LYS HB2 H 2.071 0.013 2 220 39 39 LYS C C 178.012 0.503 1 221 39 39 LYS CA C 56.628 0.503 1 222 39 39 LYS CB C 29.702 0.503 1 223 39 39 LYS N N 118.836 0.633 1 224 40 40 ARG H H 8.122 0.013 1 225 40 40 ARG HA H 4.124 0.013 1 226 40 40 ARG HB2 H 1.966 0.013 2 227 40 40 ARG HB3 H 1.803 0.013 2 228 40 40 ARG C C 176.034 0.503 1 229 40 40 ARG CA C 56.688 0.503 1 230 40 40 ARG CB C 28.318 0.503 1 231 40 40 ARG N N 118.930 0.633 1 232 41 41 ILE H H 7.813 0.013 1 233 41 41 ILE HA H 4.559 0.013 1 234 41 41 ILE C C 172.280 0.503 1 235 41 41 ILE CA C 58.738 0.503 1 236 41 41 ILE CB C 34.914 0.503 1 237 41 41 ILE N N 111.044 0.633 1 238 42 42 ASN H H 7.802 0.013 1 239 42 42 ASN HA H 4.365 0.013 1 240 42 42 ASN HB2 H 3.244 0.013 2 241 42 42 ASN HB3 H 2.660 0.013 2 242 42 42 ASN C C 170.919 0.503 1 243 42 42 ASN CA C 51.348 0.503 1 244 42 42 ASN CB C 34.555 0.503 1 245 42 42 ASN N N 117.982 0.633 1 246 43 43 THR H H 7.946 0.013 1 247 43 43 THR C C 170.404 0.503 1 248 43 43 THR CA C 57.814 0.503 1 249 43 43 THR CB C 68.320 0.503 1 250 43 43 THR N N 112.488 0.633 1 251 44 44 GLN H H 8.096 0.013 1 252 44 44 GLN HA H 4.548 0.013 1 253 44 44 GLN C C 172.791 0.503 1 254 44 44 GLN CA C 52.429 0.503 1 255 44 44 GLN CB C 26.907 0.503 1 256 44 44 GLN N N 123.286 0.633 1 257 45 45 CYS H H 8.894 0.013 1 258 45 45 CYS HA H 5.138 0.013 1 259 45 45 CYS HB2 H 2.753 0.013 2 260 45 45 CYS C C 171.041 0.503 1 261 45 45 CYS CA C 50.899 0.503 1 262 45 45 CYS CB C 44.854 0.503 1 263 45 45 CYS N N 123.840 0.633 1 264 46 46 THR H H 8.328 0.013 1 265 46 46 THR HG2 H 1.194 0.013 1 266 46 46 THR C C 170.029 0.503 1 267 46 46 THR CA C 57.949 0.503 1 268 46 46 THR CB C 68.901 0.503 1 269 46 46 THR N N 118.203 0.633 1 270 47 47 PHE H H 8.949 0.013 1 271 47 47 PHE HA H 5.497 0.013 1 272 47 47 PHE C C 173.106 0.503 1 273 47 47 PHE CA C 55.146 0.503 1 274 47 47 PHE CB C 38.943 0.503 1 275 47 47 PHE N N 123.347 0.633 1 276 48 48 VAL H H 9.304 0.013 1 277 48 48 VAL HA H 4.236 0.013 1 278 48 48 VAL HB H 1.715 0.013 1 279 48 48 VAL HG2 H 0.813 0.013 2 280 48 48 VAL C C 172.039 0.503 1 281 48 48 VAL CA C 58.524 0.503 1 282 48 48 VAL CB C 31.941 0.503 1 283 48 48 VAL N N 125.693 0.633 1 284 49 49 GLU H H 8.585 0.013 1 285 49 49 GLU HA H 5.357 0.013 1 286 49 49 GLU C C 174.222 0.503 1 287 49 49 GLU CA C 52.218 0.503 1 288 49 49 GLU CB C 27.929 0.503 1 289 49 49 GLU N N 126.452 0.633 1 290 50 50 ASN H H 9.083 0.013 1 291 50 50 ASN HA H 4.965 0.013 1 292 50 50 ASN C C 167.962 0.503 1 293 50 50 ASN CA C 49.149 0.503 1 294 50 50 ASN CB C 42.088 0.503 1 295 50 50 ASN N N 126.537 0.633 1 296 51 51 PRO HA H 4.196 0.013 1 297 51 51 PRO HB2 H 2.326 0.013 2 298 51 51 PRO HB3 H 1.948 0.013 2 299 51 51 PRO C C 175.576 0.503 1 300 51 51 PRO CA C 59.819 0.503 1 301 51 51 PRO CB C 29.846 0.503 1 302 52 52 LEU H H 8.652 0.013 1 303 52 52 LEU C C 177.190 0.503 1 304 52 52 LEU CA C 55.631 0.503 1 305 52 52 LEU CB C 39.253 0.503 1 306 52 52 LEU N N 123.196 0.633 1 307 53 53 ASP H H 8.557 0.013 1 308 53 53 ASP HA H 4.136 0.013 1 309 53 53 ASP C C 172.586 0.503 1 310 53 53 ASP CA C 53.766 0.503 1 311 53 53 ASP CB C 37.944 0.503 1 312 53 53 ASP N N 113.961 0.633 1 313 54 54 ALA H H 7.952 0.013 1 314 54 54 ALA HA H 4.491 0.013 1 315 54 54 ALA HB H 1.378 0.013 1 316 54 54 ALA C C 177.622 0.503 1 317 54 54 ALA CA C 49.169 0.503 1 318 54 54 ALA CB C 17.279 0.503 1 319 54 54 ALA N N 120.079 0.633 1 320 55 55 LEU H H 7.902 0.013 1 321 55 55 LEU HA H 3.884 0.013 1 322 55 55 LEU C C 175.052 0.503 1 323 55 55 LEU CA C 56.784 0.503 1 324 55 55 LEU CB C 38.308 0.503 1 325 55 55 LEU N N 121.511 0.633 1 326 56 56 ILE H H 9.358 0.013 1 327 56 56 ILE HA H 3.764 0.013 1 328 56 56 ILE C C 173.686 0.503 1 329 56 56 ILE N N 119.952 0.633 1 330 57 57 PRO HA H 4.144 0.013 1 331 57 57 PRO HB2 H 2.324 0.013 2 332 57 57 PRO HB3 H 1.849 0.013 2 333 57 57 PRO C C 177.416 0.503 1 334 57 57 PRO CA C 63.762 0.503 1 335 58 58 SER H H 7.831 0.013 1 336 58 58 SER C C 172.816 0.503 1 337 58 58 SER CA C 60.155 0.503 1 338 58 58 SER CB C 64.151 0.503 1 339 58 58 SER N N 114.114 0.633 1 340 59 59 LEU H H 8.408 0.013 1 341 59 59 LEU HA H 4.060 0.013 1 342 59 59 LEU C C 178.366 0.503 1 343 59 59 LEU CA C 55.301 0.503 1 344 59 59 LEU CB C 40.395 0.503 1 345 59 59 LEU N N 125.764 0.633 1 346 60 60 LYS H H 8.402 0.013 1 347 60 60 LYS HA H 3.900 0.013 1 348 60 60 LYS HB2 H 1.972 0.013 2 349 60 60 LYS HB3 H 1.786 0.013 2 350 60 60 LYS C C 175.196 0.503 1 351 60 60 LYS CA C 57.467 0.503 1 352 60 60 LYS CB C 29.183 0.503 1 353 60 60 LYS N N 120.453 0.633 1 354 61 61 ALA H H 7.687 0.013 1 355 61 61 ALA HA H 4.417 0.013 1 356 61 61 ALA HB H 1.506 0.013 1 357 61 61 ALA C C 173.527 0.503 1 358 61 61 ALA CA C 49.485 0.503 1 359 61 61 ALA CB C 16.353 0.503 1 360 61 61 ALA N N 118.167 0.633 1 361 62 62 LYS H H 7.803 0.013 1 362 62 62 LYS HA H 3.934 0.013 1 363 62 62 LYS HB2 H 2.169 0.013 2 364 62 62 LYS HB3 H 2.110 0.013 2 365 62 62 LYS C C 173.273 0.503 1 366 62 62 LYS CA C 55.776 0.503 1 367 62 62 LYS CB C 26.076 0.503 1 368 62 62 LYS N N 111.367 0.633 1 369 63 63 LYS H H 8.443 0.013 1 370 63 63 LYS HA H 4.248 0.013 1 371 63 63 LYS HB2 H 1.912 0.013 2 372 63 63 LYS HB3 H 1.713 0.013 2 373 63 63 LYS C C 173.801 0.503 1 374 63 63 LYS CA C 55.072 0.503 1 375 63 63 LYS CB C 30.636 0.503 1 376 63 63 LYS CE C 39.376 0.503 1 377 63 63 LYS N N 117.694 0.633 1 378 64 64 ILE H H 7.105 0.013 1 379 64 64 ILE HA H 4.289 0.013 1 380 64 64 ILE C C 171.376 0.503 1 381 64 64 ILE CA C 56.758 0.503 1 382 64 64 ILE CB C 38.884 0.503 1 383 64 64 ILE N N 106.808 0.633 1 384 65 65 ASP H H 9.726 0.013 1 385 65 65 ASP C C 169.712 0.503 1 386 65 65 ASP CA C 53.299 0.503 1 387 65 65 ASP CB C 42.250 0.503 1 388 65 65 ASP N N 118.729 0.633 1 389 66 66 ALA H H 7.758 0.013 1 390 66 66 ALA HA H 5.210 0.013 1 391 66 66 ALA HB H 1.204 0.013 1 392 66 66 ALA C C 173.290 0.503 1 393 66 66 ALA CA C 47.872 0.503 1 394 66 66 ALA CB C 20.073 0.503 1 395 66 66 ALA N N 116.976 0.633 1 396 67 67 ILE H H 9.448 0.013 1 397 67 67 ILE HA H 4.561 0.013 1 398 67 67 ILE C C 172.030 0.503 1 399 67 67 ILE CA C 57.915 0.503 1 400 67 67 ILE CB C 39.583 0.503 1 401 67 67 ILE N N 120.027 0.633 1 402 68 68 MET H H 8.546 0.013 1 403 68 68 MET HA H 5.284 0.013 1 404 68 68 MET C C 169.859 0.503 1 405 68 68 MET CA C 50.917 0.503 1 406 68 68 MET CB C 32.290 0.503 1 407 68 68 MET N N 127.635 0.633 1 408 69 69 SER H H 8.802 0.013 1 409 69 69 SER C C 171.207 0.503 1 410 69 69 SER CA C 56.003 0.503 1 411 69 69 SER CB C 62.235 0.503 1 412 69 69 SER N N 122.883 0.633 1 413 70 70 SER H H 8.780 0.013 1 414 70 70 SER C C 171.815 0.503 1 415 70 70 SER CA C 56.653 0.503 1 416 70 70 SER CB C 61.811 0.503 1 417 70 70 SER N N 123.293 0.633 1 418 71 71 LEU H H 9.043 0.013 1 419 71 71 LEU C C 172.577 0.503 1 420 71 71 LEU CA C 52.304 0.503 1 421 71 71 LEU CB C 41.202 0.503 1 422 71 71 LEU N N 121.733 0.633 1 423 72 72 SER H H 9.503 0.013 1 424 72 72 SER C C 170.400 0.503 1 425 72 72 SER CA C 57.824 0.503 1 426 72 72 SER CB C 60.888 0.503 1 427 72 72 SER N N 124.200 0.633 1 428 73 73 ILE H H 8.422 0.013 1 429 73 73 ILE C C 172.832 0.503 1 430 73 73 ILE CA C 58.903 0.503 1 431 73 73 ILE CB C 34.744 0.503 1 432 73 73 ILE N N 124.866 0.633 1 433 74 74 THR H H 6.175 0.013 1 434 74 74 THR C C 172.319 0.503 1 435 74 74 THR CA C 55.076 0.503 1 436 74 74 THR CB C 69.880 0.503 1 437 74 74 THR N N 114.802 0.633 1 438 75 75 GLU H H 9.002 0.013 1 439 75 75 GLU C C 176.422 0.503 1 440 75 75 GLU CA C 57.072 0.503 1 441 75 75 GLU CB C 27.239 0.503 1 442 75 75 GLU N N 123.668 0.633 1 443 76 76 LYS H H 8.492 0.013 1 444 76 76 LYS HA H 4.083 0.013 1 445 76 76 LYS HB2 H 1.839 0.013 2 446 76 76 LYS HB3 H 1.748 0.013 2 447 76 76 LYS C C 177.943 0.503 1 448 76 76 LYS CA C 56.710 0.503 1 449 76 76 LYS CB C 30.011 0.503 1 450 76 76 LYS N N 118.559 0.633 1 451 77 77 ARG H H 7.627 0.013 1 452 77 77 ARG HA H 4.276 0.013 1 453 77 77 ARG HB2 H 1.977 0.013 2 454 77 77 ARG C C 176.453 0.503 1 455 77 77 ARG CA C 57.260 0.503 1 456 77 77 ARG CB C 28.978 0.503 1 457 77 77 ARG N N 117.969 0.633 1 458 78 78 GLN H H 8.588 0.013 1 459 78 78 GLN HA H 4.962 0.013 1 460 78 78 GLN C C 173.964 0.503 1 461 78 78 GLN CA C 55.175 0.503 1 462 78 78 GLN CB C 26.970 0.503 1 463 78 78 GLN N N 119.079 0.633 1 464 79 79 GLN H H 7.334 0.013 1 465 79 79 GLN HA H 4.240 0.013 1 466 79 79 GLN C C 174.653 0.503 1 467 79 79 GLN CA C 55.077 0.503 1 468 79 79 GLN CB C 26.170 0.503 1 469 79 79 GLN N N 115.205 0.633 1 470 80 80 GLU H H 7.725 0.013 1 471 80 80 GLU HA H 4.557 0.013 1 472 80 80 GLU C C 173.665 0.503 1 473 80 80 GLU CA C 54.685 0.503 1 474 80 80 GLU CB C 31.434 0.503 1 475 80 80 GLU N N 114.982 0.633 1 476 81 81 ILE H H 8.373 0.013 1 477 81 81 ILE HA H 4.587 0.013 1 478 81 81 ILE C C 169.766 0.503 1 479 81 81 ILE CA C 57.334 0.503 1 480 81 81 ILE CB C 39.026 0.503 1 481 81 81 ILE N N 114.705 0.633 1 482 82 82 ALA H H 8.812 0.013 1 483 82 82 ALA HA H 4.866 0.013 1 484 82 82 ALA HB H 1.198 0.013 1 485 82 82 ALA C C 172.326 0.503 1 486 82 82 ALA CA C 46.873 0.503 1 487 82 82 ALA CB C 20.717 0.503 1 488 82 82 ALA N N 120.210 0.633 1 489 83 83 PHE H H 8.303 0.013 1 490 83 83 PHE HA H 5.866 0.013 1 491 83 83 PHE C C 175.929 0.503 1 492 83 83 PHE CA C 53.420 0.503 1 493 83 83 PHE CB C 43.093 0.503 1 494 83 83 PHE N N 114.658 0.633 1 495 84 84 THR H H 7.877 0.013 1 496 84 84 THR C C 171.795 0.503 1 497 84 84 THR CA C 59.580 0.503 1 498 84 84 THR CB C 70.812 0.503 1 499 84 84 THR CG2 C 20.049 0.503 1 500 84 84 THR N N 107.465 0.633 1 501 85 85 ASP H H 8.802 0.013 1 502 85 85 ASP HA H 4.357 0.013 1 503 85 85 ASP C C 171.447 0.503 1 504 85 85 ASP CA C 52.680 0.503 1 505 85 85 ASP CB C 39.081 0.503 1 506 85 85 ASP N N 117.797 0.633 1 507 86 86 LYS H H 7.681 0.013 1 508 86 86 LYS HA H 3.980 0.013 1 509 86 86 LYS HB2 H 1.570 0.013 2 510 86 86 LYS HB3 H 1.508 0.013 2 511 86 86 LYS C C 173.819 0.503 1 512 86 86 LYS CA C 53.597 0.503 1 513 86 86 LYS CB C 30.023 0.503 1 514 86 86 LYS CE C 39.313 0.503 1 515 86 86 LYS N N 117.500 0.633 1 516 87 87 LEU H H 9.040 0.013 1 517 87 87 LEU C C 175.378 0.503 1 518 87 87 LEU CA C 52.664 0.503 1 519 87 87 LEU CB C 40.105 0.503 1 520 87 87 LEU N N 124.159 0.633 1 521 88 88 TYR H H 6.715 0.013 1 522 88 88 TYR HB2 H 3.412 0.013 2 523 88 88 TYR C C 170.693 0.503 1 524 88 88 TYR CA C 54.023 0.503 1 525 88 88 TYR CB C 35.890 0.503 1 526 88 88 TYR N N 109.075 0.633 1 527 89 89 ALA H H 8.022 0.013 1 528 89 89 ALA HA H 4.714 0.013 1 529 89 89 ALA HB H 1.495 0.013 1 530 89 89 ALA C C 173.840 0.503 1 531 89 89 ALA CA C 50.058 0.503 1 532 89 89 ALA CB C 17.999 0.503 1 533 89 89 ALA N N 123.354 0.633 1 534 90 90 ALA H H 7.530 0.013 1 535 90 90 ALA HA H 4.675 0.013 1 536 90 90 ALA HB H 0.994 0.013 1 537 90 90 ALA C C 172.250 0.503 1 538 90 90 ALA CA C 50.402 0.503 1 539 90 90 ALA CB C 19.150 0.503 1 540 90 90 ALA N N 120.606 0.633 1 541 91 91 ASP H H 8.158 0.013 1 542 91 91 ASP HA H 4.962 0.013 1 543 91 91 ASP HB2 H 2.381 0.013 2 544 91 91 ASP C C 172.494 0.503 1 545 91 91 ASP CA C 50.663 0.503 1 546 91 91 ASP CB C 42.431 0.503 1 547 91 91 ASP N N 121.702 0.633 1 548 92 92 SER H H 9.542 0.013 1 549 92 92 SER C C 169.872 0.503 1 550 92 92 SER CA C 56.619 0.503 1 551 92 92 SER CB C 61.986 0.503 1 552 92 92 SER N N 118.201 0.633 1 553 93 93 ARG H H 8.606 0.013 1 554 93 93 ARG HA H 4.505 0.013 1 555 93 93 ARG HB2 H 1.590 0.013 2 556 93 93 ARG HB3 H 1.236 0.013 2 557 93 93 ARG C C 172.052 0.503 1 558 93 93 ARG CA C 54.769 0.503 1 559 93 93 ARG CB C 33.210 0.503 1 560 93 93 ARG N N 124.019 0.633 1 561 94 94 LEU H H 9.718 0.013 1 562 94 94 LEU HA H 5.212 0.013 1 563 94 94 LEU C C 175.132 0.503 1 564 94 94 LEU CA C 52.565 0.503 1 565 94 94 LEU CB C 42.104 0.503 1 566 94 94 LEU N N 127.587 0.633 1 567 95 95 VAL H H 9.274 0.013 1 568 95 95 VAL HA H 5.102 0.013 1 569 95 95 VAL C C 172.379 0.503 1 570 95 95 VAL CA C 59.528 0.503 1 571 95 95 VAL CB C 31.981 0.503 1 572 95 95 VAL N N 122.662 0.633 1 573 96 96 VAL H H 9.227 0.013 1 574 96 96 VAL HA H 5.134 0.013 1 575 96 96 VAL C C 171.797 0.503 1 576 96 96 VAL CA C 56.182 0.503 1 577 96 96 VAL CB C 34.794 0.503 1 578 96 96 VAL N N 116.797 0.633 1 579 97 97 ALA H H 9.176 0.013 1 580 97 97 ALA HA H 3.964 0.013 1 581 97 97 ALA HB H 1.522 0.013 1 582 97 97 ALA C C 176.607 0.503 1 583 97 97 ALA CA C 50.598 0.503 1 584 97 97 ALA CB C 16.386 0.503 1 585 97 97 ALA N N 122.901 0.633 1 586 98 98 LYS H H 8.088 0.013 1 587 98 98 LYS C C 174.174 0.503 1 588 98 98 LYS CA C 57.234 0.503 1 589 98 98 LYS CB C 29.693 0.503 1 590 98 98 LYS CE C 39.373 0.503 1 591 98 98 LYS N N 119.628 0.633 1 592 99 99 ASN H H 7.886 0.013 1 593 99 99 ASN C C 172.589 0.503 1 594 99 99 ASN CA C 49.940 0.503 1 595 99 99 ASN CB C 34.945 0.503 1 596 99 99 ASN N N 113.890 0.633 1 597 100 100 SER H H 7.717 0.013 1 598 100 100 SER C C 172.758 0.503 1 599 100 100 SER CA C 55.891 0.503 1 600 100 100 SER CB C 62.370 0.503 1 601 100 100 SER N N 114.365 0.633 1 602 101 101 ASP H H 8.529 0.013 1 603 101 101 ASP HA H 4.874 0.013 1 604 101 101 ASP HB2 H 2.741 0.013 2 605 101 101 ASP C C 173.820 0.503 1 606 101 101 ASP CA C 50.655 0.503 1 607 101 101 ASP CB C 38.262 0.503 1 608 101 101 ASP N N 126.951 0.633 1 609 102 102 ILE H H 7.756 0.013 1 610 102 102 ILE HA H 3.554 0.013 1 611 102 102 ILE C C 171.334 0.503 1 612 102 102 ILE CA C 61.304 0.503 1 613 102 102 ILE CB C 36.126 0.503 1 614 102 102 ILE N N 121.536 0.633 1 615 103 103 GLN H H 8.174 0.013 1 616 103 103 GLN HA H 4.460 0.013 1 617 103 103 GLN C C 171.998 0.503 1 618 103 103 GLN CA C 49.396 0.503 1 619 103 103 GLN CB C 29.090 0.503 1 620 103 103 GLN N N 124.957 0.633 1 621 104 104 PRO HA H 4.500 0.013 1 622 104 104 PRO HB2 H 2.620 0.013 2 623 104 104 PRO HB3 H 1.797 0.013 2 624 104 104 PRO C C 172.334 0.503 1 625 104 104 PRO CA C 59.690 0.503 1 626 104 104 PRO CB C 25.155 0.503 1 627 105 105 THR H H 8.620 0.013 1 628 105 105 THR C C 171.371 0.503 1 629 105 105 THR CA C 55.643 0.503 1 630 105 105 THR CB C 68.998 0.503 1 631 105 105 THR CG2 C 19.026 0.503 1 632 105 105 THR N N 114.113 0.633 1 633 106 106 VAL H H 8.747 0.013 1 634 106 106 VAL HA H 3.395 0.013 1 635 106 106 VAL C C 174.695 0.503 1 636 106 106 VAL CA C 63.620 0.503 1 637 106 106 VAL CB C 28.873 0.503 1 638 106 106 VAL N N 121.447 0.633 1 639 107 107 GLU H H 8.525 0.013 1 640 107 107 GLU HA H 3.922 0.013 1 641 107 107 GLU C C 175.748 0.503 1 642 107 107 GLU CA C 57.244 0.503 1 643 107 107 GLU CB C 26.425 0.503 1 644 107 107 GLU N N 116.369 0.633 1 645 108 108 SER H H 7.394 0.013 1 646 108 108 SER C C 173.654 0.503 1 647 108 108 SER CA C 57.308 0.503 1 648 108 108 SER CB C 61.562 0.503 1 649 108 108 SER N N 112.399 0.633 1 650 109 109 LEU H H 7.557 0.013 1 651 109 109 LEU HA H 3.917 0.013 1 652 109 109 LEU C C 173.859 0.503 1 653 109 109 LEU CA C 52.375 0.503 1 654 109 109 LEU CB C 41.270 0.503 1 655 109 109 LEU N N 116.773 0.633 1 656 110 110 LYS H H 7.400 0.013 1 657 110 110 LYS HA H 3.603 0.013 1 658 110 110 LYS HB2 H 1.891 0.013 2 659 110 110 LYS HB3 H 1.750 0.013 2 660 110 110 LYS C C 175.465 0.503 1 661 110 110 LYS CA C 56.743 0.503 1 662 110 110 LYS CB C 29.306 0.503 1 663 110 110 LYS CE C 39.362 0.503 1 664 110 110 LYS N N 120.730 0.633 1 665 111 111 GLY H H 8.441 0.013 1 666 111 111 GLY HA2 H 4.213 0.013 2 667 111 111 GLY HA3 H 3.863 0.013 2 668 111 111 GLY C C 171.492 0.503 1 669 111 111 GLY CA C 43.063 0.503 1 670 111 111 GLY N N 113.263 0.633 1 671 112 112 LYS H H 8.558 0.013 1 672 112 112 LYS HA H 4.641 0.013 1 673 112 112 LYS HB2 H 2.118 0.013 2 674 112 112 LYS HB3 H 1.682 0.013 2 675 112 112 LYS C C 172.121 0.503 1 676 112 112 LYS CA C 51.392 0.503 1 677 112 112 LYS CB C 30.557 0.503 1 678 112 112 LYS CE C 40.116 0.503 1 679 112 112 LYS N N 119.898 0.633 1 680 113 113 ARG H H 9.533 0.013 1 681 113 113 ARG HA H 5.288 0.013 1 682 113 113 ARG HB2 H 1.830 0.013 2 683 113 113 ARG C C 173.558 0.503 1 684 113 113 ARG CA C 52.452 0.503 1 685 113 113 ARG CB C 30.878 0.503 1 686 113 113 ARG N N 118.638 0.633 1 687 114 114 VAL H H 9.383 0.013 1 688 114 114 VAL HA H 4.765 0.013 1 689 114 114 VAL HB H 2.218 0.013 1 690 114 114 VAL HG2 H 0.692 0.013 2 691 114 114 VAL C C 172.597 0.503 1 692 114 114 VAL CA C 58.016 0.503 1 693 114 114 VAL CB C 31.882 0.503 1 694 114 114 VAL N N 125.835 0.633 1 695 115 115 GLY H H 9.475 0.013 1 696 115 115 GLY HA2 H 5.796 0.013 2 697 115 115 GLY HA3 H 3.506 0.013 2 698 115 115 GLY C C 169.402 0.503 1 699 115 115 GLY CA C 42.967 0.503 1 700 115 115 GLY N N 114.105 0.633 1 701 116 116 VAL H H 9.253 0.013 1 702 116 116 VAL HA H 5.057 0.013 1 703 116 116 VAL C C 171.003 0.503 1 704 116 116 VAL CA C 55.891 0.503 1 705 116 116 VAL CB C 34.380 0.503 1 706 116 116 VAL N N 115.465 0.633 1 707 117 117 LEU H H 8.681 0.013 1 708 117 117 LEU C C 174.715 0.503 1 709 117 117 LEU CA C 51.286 0.503 1 710 117 117 LEU CB C 39.967 0.503 1 711 117 117 LEU N N 124.017 0.633 1 712 118 118 GLN H H 9.837 0.013 1 713 118 118 GLN C C 174.208 0.503 1 714 118 118 GLN CA C 55.681 0.503 1 715 118 118 GLN CB C 26.334 0.503 1 716 118 118 GLN N N 131.211 0.633 1 717 119 119 GLY H H 9.572 0.013 1 718 119 119 GLY HA2 H 3.962 0.013 2 719 119 119 GLY HA3 H 3.823 0.013 2 720 119 119 GLY C C 172.463 0.503 1 721 119 119 GLY CA C 42.441 0.503 1 722 119 119 GLY N N 112.876 0.633 1 723 120 120 THR H H 7.489 0.013 1 724 120 120 THR C C 174.761 0.503 1 725 120 120 THR CA C 57.950 0.503 1 726 120 120 THR CB C 72.030 0.503 1 727 120 120 THR CG2 C 19.771 0.503 1 728 120 120 THR N N 106.102 0.633 1 729 121 121 THR H H 8.615 0.013 1 730 121 121 THR C C 175.600 0.503 1 731 121 121 THR CA C 61.326 0.503 1 732 121 121 THR CB C 64.345 0.503 1 733 121 121 THR CG2 C 20.680 0.503 1 734 121 121 THR N N 113.417 0.633 1 735 122 122 GLN H H 7.156 0.013 1 736 122 122 GLN HA H 3.766 0.013 1 737 122 122 GLN C C 175.307 0.503 1 738 122 122 GLN CA C 59.361 0.503 1 739 122 122 GLN CB C 22.750 0.503 1 740 122 122 GLN N N 118.097 0.633 1 741 123 123 GLU H H 7.731 0.013 1 742 123 123 GLU HA H 3.903 0.013 1 743 123 123 GLU C C 174.616 0.503 1 744 123 123 GLU CA C 57.759 0.503 1 745 123 123 GLU CB C 27.346 0.503 1 746 123 123 GLU N N 121.444 0.633 1 747 124 124 THR H H 8.013 0.013 1 748 124 124 THR C C 173.644 0.503 1 749 124 124 THR CA C 66.315 0.503 1 750 124 124 THR CB C 64.404 0.503 1 751 124 124 THR N N 116.572 0.633 1 752 125 125 PHE H H 8.647 0.013 1 753 125 125 PHE C C 175.070 0.503 1 754 125 125 PHE CA C 59.134 0.503 1 755 125 125 PHE CB C 37.832 0.503 1 756 125 125 PHE N N 120.746 0.633 1 757 126 126 GLY H H 9.083 0.013 1 758 126 126 GLY HA2 H 3.776 0.013 2 759 126 126 GLY HA3 H 3.636 0.013 2 760 126 126 GLY C C 173.410 0.503 1 761 126 126 GLY CA C 44.413 0.503 1 762 126 126 GLY N N 106.985 0.633 1 763 127 127 ASN H H 8.872 0.013 1 764 127 127 ASN HA H 4.721 0.013 1 765 127 127 ASN C C 173.451 0.503 1 766 127 127 ASN CA C 53.390 0.503 1 767 127 127 ASN CB C 35.650 0.503 1 768 127 127 ASN N N 122.155 0.633 1 769 128 128 GLU H H 7.710 0.013 1 770 128 128 GLU HA H 4.062 0.013 1 771 128 128 GLU C C 174.930 0.503 1 772 128 128 GLU CA C 55.979 0.503 1 773 128 128 GLU CB C 27.768 0.503 1 774 128 128 GLU N N 117.736 0.633 1 775 129 129 HIS H H 8.013 0.013 1 776 129 129 HIS HA H 4.479 0.013 1 777 129 129 HIS HB2 H 2.454 0.013 2 778 129 129 HIS HB3 H 1.542 0.013 2 779 129 129 HIS C C 173.228 0.503 1 780 129 129 HIS CA C 54.776 0.503 1 781 129 129 HIS CB C 29.197 0.503 1 782 129 129 HIS N N 112.117 0.633 1 783 130 130 TRP H H 7.725 0.013 1 784 130 130 TRP HA H 5.324 0.013 1 785 130 130 TRP HE1 H 10.529 0.013 1 786 130 130 TRP C C 174.192 0.503 1 787 130 130 TRP CA C 53.344 0.503 1 788 130 130 TRP CB C 28.316 0.503 1 789 130 130 TRP N N 119.251 0.633 1 790 130 130 TRP NE1 N 128.075 0.633 1 791 131 131 ALA H H 8.945 0.013 1 792 131 131 ALA C C 175.250 0.503 1 793 131 131 ALA CB C 14.049 0.503 1 794 131 131 ALA N N 125.307 0.633 1 795 132 132 PRO HA H 4.621 0.013 1 796 132 132 PRO HB2 H 2.475 0.013 2 797 132 132 PRO HB3 H 1.740 0.013 2 798 132 132 PRO C C 174.524 0.503 1 799 132 132 PRO CA C 62.360 0.503 1 800 132 132 PRO CB C 29.068 0.503 1 801 133 133 LYS H H 7.710 0.013 1 802 133 133 LYS HA H 4.578 0.013 1 803 133 133 LYS HB2 H 2.266 0.013 2 804 133 133 LYS HB3 H 1.936 0.013 2 805 133 133 LYS C C 173.784 0.503 1 806 133 133 LYS CA C 51.447 0.503 1 807 133 133 LYS CB C 29.894 0.503 1 808 133 133 LYS CE C 39.766 0.503 1 809 133 133 LYS N N 115.170 0.633 1 810 134 134 GLY H H 7.902 0.013 1 811 134 134 GLY HA2 H 4.215 0.013 2 812 134 134 GLY HA3 H 3.831 0.013 2 813 134 134 GLY C C 171.731 0.503 1 814 134 134 GLY CA C 43.644 0.503 1 815 134 134 GLY N N 105.346 0.633 1 816 135 135 ILE H H 7.000 0.013 1 817 135 135 ILE HA H 4.081 0.013 1 818 135 135 ILE C C 171.793 0.503 1 819 135 135 ILE CA C 58.318 0.503 1 820 135 135 ILE CB C 36.524 0.503 1 821 135 135 ILE N N 124.125 0.633 1 822 136 136 GLU H H 8.344 0.013 1 823 136 136 GLU HA H 4.399 0.013 1 824 136 136 GLU C C 171.546 0.503 1 825 136 136 GLU CA C 54.019 0.503 1 826 136 136 GLU CB C 27.923 0.503 1 827 136 136 GLU N N 127.784 0.633 1 828 137 137 ILE H H 8.708 0.013 1 829 137 137 ILE HA H 4.917 0.013 1 830 137 137 ILE C C 173.237 0.503 1 831 137 137 ILE CA C 55.014 0.503 1 832 137 137 ILE CB C 32.768 0.503 1 833 137 137 ILE N N 128.769 0.633 1 834 138 138 VAL H H 9.444 0.013 1 835 138 138 VAL HA H 4.253 0.013 1 836 138 138 VAL HB H 2.137 0.013 1 837 138 138 VAL HG2 H 0.772 0.013 2 838 138 138 VAL C C 171.943 0.503 1 839 138 138 VAL CA C 58.966 0.503 1 840 138 138 VAL CB C 30.668 0.503 1 841 138 138 VAL N N 132.229 0.633 1 842 139 139 SER H H 8.525 0.013 1 843 139 139 SER C C 172.345 0.503 1 844 139 139 SER CA C 55.688 0.503 1 845 139 139 SER CB C 61.673 0.503 1 846 139 139 SER N N 122.838 0.633 1 847 140 140 TYR H H 8.855 0.013 1 848 140 140 TYR HA H 4.702 0.013 1 849 140 140 TYR HB2 H 2.777 0.013 2 850 140 140 TYR HB3 H 2.549 0.013 2 851 140 140 TYR C C 173.318 0.503 1 852 140 140 TYR CA C 55.157 0.503 1 853 140 140 TYR CB C 40.951 0.503 1 854 140 140 TYR N N 122.351 0.633 1 855 141 141 GLN H H 8.571 0.013 1 856 141 141 GLN HA H 4.690 0.013 1 857 141 141 GLN C C 173.151 0.503 1 858 141 141 GLN CA C 53.595 0.503 1 859 141 141 GLN CB C 27.765 0.503 1 860 141 141 GLN CG C 31.586 0.503 1 861 141 141 GLN N N 118.556 0.633 1 862 142 142 GLY H H 8.912 0.013 1 863 142 142 GLY HA2 H 4.470 0.013 2 864 142 142 GLY HA3 H 3.903 0.013 2 865 142 142 GLY C C 171.934 0.503 1 866 142 142 GLY CA C 42.399 0.503 1 867 142 142 GLY N N 113.332 0.633 1 868 143 143 GLN H H 7.720 0.013 1 869 143 143 GLN C C 174.835 0.503 1 870 143 143 GLN CA C 56.309 0.503 1 871 143 143 GLN CB C 24.366 0.503 1 872 143 143 GLN N N 126.382 0.633 1 873 144 144 ASP H H 8.733 0.013 1 874 144 144 ASP HA H 4.393 0.013 1 875 144 144 ASP HB2 H 2.755 0.013 2 876 144 144 ASP C C 176.039 0.503 1 877 144 144 ASP CA C 54.420 0.503 1 878 144 144 ASP CB C 36.452 0.503 1 879 144 144 ASP N N 115.794 0.633 1 880 145 145 ASN H H 7.449 0.013 1 881 145 145 ASN HA H 4.489 0.013 1 882 145 145 ASN HB2 H 3.006 0.013 2 883 145 145 ASN C C 174.092 0.503 1 884 145 145 ASN CA C 53.262 0.503 1 885 145 145 ASN CB C 35.880 0.503 1 886 145 145 ASN N N 117.745 0.633 1 887 146 146 ILE H H 6.933 0.013 1 888 146 146 ILE C C 175.253 0.503 1 889 146 146 ILE CA C 62.594 0.503 1 890 146 146 ILE CB C 34.061 0.503 1 891 146 146 ILE N N 120.638 0.633 1 892 147 147 TYR H H 6.658 0.013 1 893 147 147 TYR HB2 H 2.785 0.013 2 894 147 147 TYR HB3 H 2.619 0.013 2 895 147 147 TYR C C 175.912 0.503 1 896 147 147 TYR CA C 55.750 0.503 1 897 147 147 TYR CB C 33.994 0.503 1 898 147 147 TYR N N 116.101 0.633 1 899 148 148 SER H H 8.137 0.013 1 900 148 148 SER C C 174.711 0.503 1 901 148 148 SER CA C 58.997 0.503 1 902 148 148 SER CB C 60.084 0.503 1 903 148 148 SER N N 112.823 0.633 1 904 149 149 ASP H H 7.753 0.013 1 905 149 149 ASP HA H 4.792 0.013 1 906 149 149 ASP C C 176.382 0.503 1 907 149 149 ASP CA C 54.252 0.503 1 908 149 149 ASP CB C 36.348 0.503 1 909 149 149 ASP N N 123.067 0.633 1 910 150 150 LEU H H 8.258 0.013 1 911 150 150 LEU HA H 4.236 0.013 1 912 150 150 LEU C C 177.634 0.503 1 913 150 150 LEU CA C 56.048 0.503 1 914 150 150 LEU CB C 39.395 0.503 1 915 150 150 LEU N N 123.741 0.633 1 916 151 151 THR H H 8.279 0.013 1 917 151 151 THR C C 173.945 0.503 1 918 151 151 THR CA C 61.783 0.503 1 919 151 151 THR CB C 66.536 0.503 1 920 151 151 THR N N 111.651 0.633 1 921 152 152 ALA H H 7.604 0.013 1 922 152 152 ALA HA H 4.589 0.013 1 923 152 152 ALA HB H 1.608 0.013 1 924 152 152 ALA C C 175.525 0.503 1 925 152 152 ALA CA C 49.476 0.503 1 926 152 152 ALA CB C 17.116 0.503 1 927 152 152 ALA N N 121.681 0.633 1 928 153 153 GLY H H 8.033 0.013 1 929 153 153 GLY HA2 H 4.233 0.013 2 930 153 153 GLY HA3 H 4.156 0.013 2 931 153 153 GLY C C 172.540 0.503 1 932 153 153 GLY CA C 43.227 0.503 1 933 153 153 GLY N N 107.263 0.633 1 934 154 154 ARG H H 8.371 0.013 1 935 154 154 ARG HA H 4.249 0.013 1 936 154 154 ARG HB2 H 1.991 0.013 2 937 154 154 ARG HB3 H 1.578 0.013 2 938 154 154 ARG C C 173.521 0.503 1 939 154 154 ARG CA C 55.075 0.503 1 940 154 154 ARG CB C 28.847 0.503 1 941 154 154 ARG N N 118.377 0.633 1 942 155 155 ILE H H 7.224 0.013 1 943 155 155 ILE HA H 4.446 0.013 1 944 155 155 ILE C C 170.991 0.503 1 945 155 155 ILE CA C 57.490 0.503 1 946 155 155 ILE CB C 38.690 0.503 1 947 155 155 ILE N N 108.432 0.633 1 948 156 156 ASP H H 8.854 0.013 1 949 156 156 ASP HA H 4.787 0.013 1 950 156 156 ASP HB2 H 2.548 0.013 2 951 156 156 ASP C C 172.146 0.503 1 952 156 156 ASP CA C 53.356 0.503 1 953 156 156 ASP CB C 41.806 0.503 1 954 156 156 ASP N N 118.325 0.633 1 955 157 157 ALA H H 7.827 0.013 1 956 157 157 ALA HA H 5.333 0.013 1 957 157 157 ALA HB H 1.235 0.013 1 958 157 157 ALA C C 171.575 0.503 1 959 157 157 ALA CA C 47.802 0.503 1 960 157 157 ALA CB C 20.967 0.503 1 961 157 157 ALA N N 116.631 0.633 1 962 158 158 ALA H H 9.113 0.013 1 963 158 158 ALA HA H 4.982 0.013 1 964 158 158 ALA HB H 1.415 0.013 1 965 158 158 ALA C C 173.155 0.503 1 966 158 158 ALA CA C 47.948 0.503 1 967 158 158 ALA CB C 20.220 0.503 1 968 158 158 ALA N N 125.147 0.633 1 969 159 159 PHE H H 9.218 0.013 1 970 159 159 PHE HA H 5.663 0.013 1 971 159 159 PHE C C 169.635 0.503 1 972 159 159 PHE CA C 50.558 0.503 1 973 159 159 PHE CB C 39.133 0.503 1 974 159 159 PHE N N 127.828 0.633 1 975 160 160 GLN H H 7.593 0.013 1 976 160 160 GLN HA H 4.361 0.013 1 977 160 160 GLN C C 171.801 0.503 1 978 160 160 GLN CA C 53.760 0.503 1 979 160 160 GLN CB C 27.372 0.503 1 980 160 160 GLN N N 122.247 0.633 1 981 161 161 ASP H H 7.328 0.013 1 982 161 161 ASP HA H 5.420 0.013 1 983 161 161 ASP C C 174.831 0.503 1 984 161 161 ASP CA C 52.633 0.503 1 985 161 161 ASP CB C 38.124 0.503 1 986 161 161 ASP N N 116.023 0.633 1 987 162 162 GLU H H 9.707 0.013 1 988 162 162 GLU C C 175.177 0.503 1 989 162 162 GLU CA C 57.514 0.503 1 990 162 162 GLU CB C 28.584 0.503 1 991 162 162 GLU N N 127.889 0.633 1 992 163 163 VAL H H 9.616 0.013 1 993 163 163 VAL C C 175.506 0.503 1 994 163 163 VAL CA C 64.288 0.503 1 995 163 163 VAL CB C 28.758 0.503 1 996 163 163 VAL N N 119.318 0.633 1 997 164 164 ALA H H 6.285 0.013 1 998 164 164 ALA HA H 3.882 0.013 1 999 164 164 ALA HB H 1.727 0.013 1 1000 164 164 ALA C C 175.968 0.503 1 1001 164 164 ALA CA C 52.023 0.503 1 1002 164 164 ALA CB C 15.346 0.503 1 1003 164 164 ALA N N 117.989 0.633 1 1004 165 165 ALA H H 7.469 0.013 1 1005 165 165 ALA HA H 4.484 0.013 1 1006 165 165 ALA HB H 1.737 0.013 1 1007 165 165 ALA C C 178.105 0.503 1 1008 165 165 ALA CA C 51.542 0.503 1 1009 165 165 ALA CB C 18.073 0.503 1 1010 165 165 ALA N N 116.937 0.633 1 1011 166 166 SER H H 9.004 0.013 1 1012 166 166 SER C C 172.909 0.503 1 1013 166 166 SER CA C 59.030 0.503 1 1014 166 166 SER CB C 60.698 0.503 1 1015 166 166 SER N N 113.274 0.633 1 1016 167 167 GLU H H 8.283 0.013 1 1017 167 167 GLU HA H 4.234 0.013 1 1018 167 167 GLU C C 176.178 0.503 1 1019 167 167 GLU CA C 54.493 0.503 1 1020 167 167 GLU CB C 27.201 0.503 1 1021 167 167 GLU CG C 33.528 0.503 1 1022 167 167 GLU N N 112.577 0.633 1 1023 168 168 GLY H H 8.417 0.013 1 1024 168 168 GLY HA2 H 3.875 0.013 2 1025 168 168 GLY C C 170.851 0.503 1 1026 168 168 GLY CA C 42.515 0.503 1 1027 168 168 GLY N N 105.799 0.633 1 1028 169 169 PHE H H 7.100 0.013 1 1029 169 169 PHE HA H 4.257 0.013 1 1030 169 169 PHE HB2 H 2.629 0.013 2 1031 169 169 PHE HB3 H 1.821 0.013 2 1032 169 169 PHE C C 172.154 0.503 1 1033 169 169 PHE CA C 58.076 0.503 1 1034 169 169 PHE CB C 38.355 0.503 1 1035 169 169 PHE N N 117.936 0.633 1 1036 170 170 LEU H H 9.053 0.013 1 1037 170 170 LEU C C 176.097 0.503 1 1038 170 170 LEU CA C 55.435 0.503 1 1039 170 170 LEU CB C 38.413 0.503 1 1040 170 170 LEU N N 118.681 0.633 1 1041 171 171 LYS H H 7.619 0.013 1 1042 171 171 LYS HA H 4.121 0.013 1 1043 171 171 LYS HB2 H 2.008 0.013 2 1044 171 171 LYS HB3 H 1.582 0.013 2 1045 171 171 LYS C C 174.302 0.503 1 1046 171 171 LYS CA C 54.279 0.503 1 1047 171 171 LYS CB C 30.243 0.503 1 1048 171 171 LYS CE C 39.133 0.503 1 1049 171 171 LYS N N 113.027 0.633 1 1050 172 172 GLN H H 7.223 0.013 1 1051 172 172 GLN HA H 4.534 0.013 1 1052 172 172 GLN C C 173.345 0.503 1 1053 172 172 GLN CA C 50.202 0.503 1 1054 172 172 GLN CB C 24.683 0.503 1 1055 172 172 GLN N N 118.142 0.633 1 1056 173 173 PRO HA H 4.141 0.013 1 1057 173 173 PRO HB2 H 2.371 0.013 2 1058 173 173 PRO HB3 H 1.938 0.013 2 1059 173 173 PRO C C 176.477 0.503 1 1060 173 173 PRO CA C 64.062 0.503 1 1061 173 173 PRO CB C 29.004 0.503 1 1062 174 174 VAL H H 7.398 0.013 1 1063 174 174 VAL HA H 3.998 0.013 1 1064 174 174 VAL C C 173.377 0.503 1 1065 174 174 VAL CA C 60.456 0.503 1 1066 174 174 VAL CB C 29.031 0.503 1 1067 174 174 VAL N N 110.881 0.633 1 1068 175 175 GLY H H 7.322 0.013 1 1069 175 175 GLY HA2 H 3.162 0.013 2 1070 175 175 GLY HA3 H 3.075 0.013 2 1071 175 175 GLY C C 172.238 0.503 1 1072 175 175 GLY CA C 42.063 0.503 1 1073 175 175 GLY N N 108.947 0.633 1 1074 176 176 LYS H H 6.939 0.013 1 1075 176 176 LYS HA H 4.151 0.013 1 1076 176 176 LYS HB2 H 1.865 0.013 2 1077 176 176 LYS HB3 H 1.818 0.013 2 1078 176 176 LYS C C 174.331 0.503 1 1079 176 176 LYS CA C 56.156 0.503 1 1080 176 176 LYS CB C 29.641 0.503 1 1081 176 176 LYS CE C 39.348 0.503 1 1082 176 176 LYS N N 119.459 0.633 1 1083 177 177 ASP H H 7.899 0.013 1 1084 177 177 ASP HA H 4.831 0.013 1 1085 177 177 ASP HB2 H 2.751 0.013 2 1086 177 177 ASP HB3 H 2.340 0.013 2 1087 177 177 ASP C C 171.260 0.503 1 1088 177 177 ASP CA C 51.681 0.503 1 1089 177 177 ASP CB C 37.824 0.503 1 1090 177 177 ASP N N 116.828 0.633 1 1091 178 178 TYR H H 7.776 0.013 1 1092 178 178 TYR HA H 4.686 0.013 1 1093 178 178 TYR HB2 H 2.955 0.013 2 1094 178 178 TYR HB3 H 2.623 0.013 2 1095 178 178 TYR C C 169.700 0.503 1 1096 178 178 TYR CA C 55.868 0.503 1 1097 178 178 TYR CB C 39.671 0.503 1 1098 178 178 TYR N N 119.557 0.633 1 1099 179 179 LYS H H 9.476 0.013 1 1100 179 179 LYS HA H 4.698 0.013 1 1101 179 179 LYS HB2 H 1.944 0.013 2 1102 179 179 LYS HB3 H 1.719 0.013 2 1103 179 179 LYS C C 172.346 0.503 1 1104 179 179 LYS CA C 52.094 0.503 1 1105 179 179 LYS CB C 33.822 0.503 1 1106 179 179 LYS N N 116.369 0.633 1 1107 180 180 PHE H H 8.544 0.013 1 1108 180 180 PHE HA H 5.669 0.013 1 1109 180 180 PHE C C 174.976 0.503 1 1110 180 180 PHE CA C 55.887 0.503 1 1111 180 180 PHE CB C 36.382 0.503 1 1112 180 180 PHE N N 117.374 0.633 1 1113 181 181 GLY H H 8.968 0.013 1 1114 181 181 GLY HA2 H 4.559 0.013 2 1115 181 181 GLY HA3 H 2.955 0.013 2 1116 181 181 GLY C C 170.741 0.503 1 1117 181 181 GLY CA C 44.800 0.503 1 1118 181 181 GLY N N 112.845 0.633 1 1119 182 182 GLY H H 7.736 0.013 1 1120 182 182 GLY HA2 H 3.921 0.013 2 1121 182 182 GLY HA3 H 4.261 0.013 2 1122 182 182 GLY C C 168.451 0.503 1 1123 182 182 GLY CA C 42.168 0.503 1 1124 182 182 GLY N N 109.798 0.633 1 1125 183 183 PRO HA H 4.516 0.013 1 1126 183 183 PRO HB2 H 2.283 0.013 2 1127 183 183 PRO HB3 H 2.218 0.013 2 1128 183 183 PRO C C 173.453 0.503 1 1129 183 183 PRO CA C 59.664 0.503 1 1130 183 183 PRO CB C 30.744 0.503 1 1131 184 184 SER H H 8.334 0.013 1 1132 184 184 SER C C 171.149 0.503 1 1133 184 184 SER CA C 56.292 0.503 1 1134 184 184 SER CB C 60.715 0.503 1 1135 184 184 SER N N 113.125 0.633 1 1136 185 185 VAL H H 8.160 0.013 1 1137 185 185 VAL HA H 4.016 0.013 1 1138 185 185 VAL C C 171.767 0.503 1 1139 185 185 VAL CA C 59.029 0.503 1 1140 185 185 VAL CB C 29.804 0.503 1 1141 185 185 VAL N N 123.313 0.633 1 1142 186 186 LYS H H 8.421 0.013 1 1143 186 186 LYS HA H 4.480 0.013 1 1144 186 186 LYS HB2 H 1.793 0.013 2 1145 186 186 LYS C C 174.245 0.503 1 1146 186 186 LYS CA C 52.865 0.503 1 1147 186 186 LYS CB C 30.687 0.503 1 1148 186 186 LYS CE C 39.599 0.503 1 1149 186 186 LYS N N 126.197 0.633 1 1150 187 187 ASP H H 8.746 0.013 1 1151 187 187 ASP HB2 H 2.715 0.013 2 1152 187 187 ASP C C 172.493 0.503 1 1153 187 187 ASP CA C 53.276 0.503 1 1154 187 187 ASP CB C 38.923 0.503 1 1155 187 187 ASP N N 122.715 0.633 1 1156 188 188 GLU H H 9.266 0.013 1 1157 188 188 GLU C C 175.715 0.503 1 1158 188 188 GLU CA C 57.777 0.503 1 1159 188 188 GLU CB C 26.756 0.503 1 1160 188 188 GLU N N 128.097 0.633 1 1161 189 189 LYS H H 8.025 0.013 1 1162 189 189 LYS HA H 4.165 0.013 1 1163 189 189 LYS HB2 H 1.874 0.013 2 1164 189 189 LYS C C 175.855 0.503 1 1165 189 189 LYS CA C 56.438 0.503 1 1166 189 189 LYS CB C 30.008 0.503 1 1167 189 189 LYS CE C 39.262 0.503 1 1168 189 189 LYS N N 117.774 0.633 1 1169 190 190 LEU H H 8.034 0.013 1 1170 190 190 LEU HA H 4.182 0.013 1 1171 190 190 LEU C C 175.360 0.503 1 1172 190 190 LEU CA C 53.768 0.503 1 1173 190 190 LEU CB C 40.114 0.503 1 1174 190 190 LEU N N 117.731 0.633 1 1175 191 191 PHE H H 8.346 0.013 1 1176 191 191 PHE HA H 4.767 0.013 1 1177 191 191 PHE HB2 H 3.157 0.013 2 1178 191 191 PHE C C 176.592 0.503 1 1179 191 191 PHE CA C 55.183 0.503 1 1180 191 191 PHE CB C 37.929 0.503 1 1181 191 191 PHE N N 112.082 0.633 1 1182 192 192 GLY H H 7.595 0.013 1 1183 192 192 GLY HA2 H 4.411 0.013 2 1184 192 192 GLY HA3 H 4.185 0.013 2 1185 192 192 GLY C C 170.577 0.503 1 1186 192 192 GLY CA C 42.278 0.503 1 1187 192 192 GLY N N 107.019 0.633 1 1188 193 193 VAL H H 9.069 0.013 1 1189 193 193 VAL C C 174.602 0.503 1 1190 193 193 VAL CA C 58.178 0.503 1 1191 193 193 VAL CB C 30.248 0.503 1 1192 193 193 VAL N N 109.296 0.633 1 1193 194 194 GLY H H 7.689 0.013 1 1194 194 194 GLY HA2 H 4.401 0.013 2 1195 194 194 GLY HA3 H 3.942 0.013 2 1196 194 194 GLY C C 167.991 0.503 1 1197 194 194 GLY CA C 42.500 0.503 1 1198 194 194 GLY N N 109.223 0.633 1 1199 195 195 THR H H 7.948 0.013 1 1200 195 195 THR C C 169.561 0.503 1 1201 195 195 THR CA C 56.666 0.503 1 1202 195 195 THR CB C 69.353 0.503 1 1203 195 195 THR CG2 C 18.527 0.503 1 1204 195 195 THR N N 107.465 0.633 1 1205 196 196 GLY H H 8.466 0.013 1 1206 196 196 GLY HA2 H 4.267 0.013 2 1207 196 196 GLY HA3 H 3.497 0.013 2 1208 196 196 GLY C C 169.522 0.503 1 1209 196 196 GLY CA C 41.994 0.503 1 1210 196 196 GLY N N 103.909 0.633 1 1211 197 197 MET H H 8.141 0.013 1 1212 197 197 MET HA H 5.103 0.013 1 1213 197 197 MET C C 173.757 0.503 1 1214 197 197 MET CA C 53.337 0.503 1 1215 197 197 MET CB C 31.631 0.503 1 1216 197 197 MET N N 120.534 0.633 1 1217 198 198 GLY H H 8.783 0.013 1 1218 198 198 GLY HA2 H 4.439 0.013 2 1219 198 198 GLY HA3 H 2.608 0.013 2 1220 198 198 GLY C C 169.390 0.503 1 1221 198 198 GLY CA C 42.240 0.503 1 1222 198 198 GLY N N 111.142 0.633 1 1223 199 199 LEU H H 8.836 0.013 1 1224 199 199 LEU HA H 4.674 0.013 1 1225 199 199 LEU HB2 H 1.866 0.013 2 1226 199 199 LEU HB3 H 1.180 0.013 2 1227 199 199 LEU C C 173.164 0.503 1 1228 199 199 LEU CA C 51.607 0.503 1 1229 199 199 LEU CB C 44.414 0.503 1 1230 199 199 LEU N N 124.232 0.633 1 1231 200 200 ARG H H 10.343 0.013 1 1232 200 200 ARG C C 177.594 0.503 1 1233 200 200 ARG CA C 54.963 0.503 1 1234 200 200 ARG CB C 28.051 0.503 1 1235 200 200 ARG N N 121.323 0.633 1 1236 201 201 LYS H H 9.287 0.013 1 1237 201 201 LYS HA H 3.704 0.013 1 1238 201 201 LYS HB2 H 1.771 0.013 2 1239 201 201 LYS C C 175.591 0.503 1 1240 201 201 LYS CA C 57.515 0.503 1 1241 201 201 LYS CB C 30.149 0.503 1 1242 201 201 LYS CE C 39.591 0.503 1 1243 201 201 LYS N N 122.599 0.633 1 1244 202 202 GLU H H 9.056 0.013 1 1245 202 202 GLU HA H 4.284 0.013 1 1246 202 202 GLU C C 175.088 0.503 1 1247 202 202 GLU CA C 55.109 0.503 1 1248 202 202 GLU CB C 25.979 0.503 1 1249 202 202 GLU N N 113.485 0.633 1 1250 203 203 ASP H H 7.365 0.013 1 1251 203 203 ASP HA H 5.211 0.013 1 1252 203 203 ASP HB2 H 3.057 0.013 2 1253 203 203 ASP HB3 H 2.647 0.013 2 1254 203 203 ASP C C 174.413 0.503 1 1255 203 203 ASP CA C 51.461 0.503 1 1256 203 203 ASP CB C 35.642 0.503 1 1257 203 203 ASP N N 125.664 0.633 1 1258 204 204 ASN H H 7.877 0.013 1 1259 204 204 ASN HA H 4.324 0.013 1 1260 204 204 ASN HB2 H 2.765 0.013 2 1261 204 204 ASN C C 174.183 0.503 1 1262 204 204 ASN CA C 54.636 0.503 1 1263 204 204 ASN CB C 36.820 0.503 1 1264 204 204 ASN N N 119.863 0.633 1 1265 205 205 GLU H H 8.582 0.013 1 1266 205 205 GLU HA H 4.033 0.013 1 1267 205 205 GLU C C 176.871 0.503 1 1268 205 205 GLU CA C 57.282 0.503 1 1269 205 205 GLU CB C 26.659 0.503 1 1270 205 205 GLU N N 120.560 0.633 1 1271 206 206 LEU H H 8.197 0.013 1 1272 206 206 LEU HA H 4.025 0.013 1 1273 206 206 LEU C C 174.365 0.503 1 1274 206 206 LEU CA C 55.207 0.503 1 1275 206 206 LEU CB C 39.434 0.503 1 1276 206 206 LEU N N 121.475 0.633 1 1277 207 207 ARG H H 7.735 0.013 1 1278 207 207 ARG HA H 3.597 0.013 1 1279 207 207 ARG HB2 H 2.127 0.013 2 1280 207 207 ARG HB3 H 1.664 0.013 2 1281 207 207 ARG C C 174.729 0.503 1 1282 207 207 ARG CA C 57.981 0.503 1 1283 207 207 ARG CB C 28.662 0.503 1 1284 207 207 ARG N N 118.751 0.633 1 1285 208 208 GLU H H 8.471 0.013 1 1286 208 208 GLU HA H 4.097 0.013 1 1287 208 208 GLU C C 177.054 0.503 1 1288 208 208 GLU CA C 57.097 0.503 1 1289 208 208 GLU CB C 26.868 0.503 1 1290 208 208 GLU N N 115.729 0.633 1 1291 209 209 ALA H H 8.128 0.013 1 1292 209 209 ALA HA H 4.227 0.013 1 1293 209 209 ALA HB H 1.607 0.013 1 1294 209 209 ALA C C 178.484 0.503 1 1295 209 209 ALA CA C 52.674 0.503 1 1296 209 209 ALA CB C 15.447 0.503 1 1297 209 209 ALA N N 122.867 0.633 1 1298 210 210 LEU H H 8.437 0.013 1 1299 210 210 LEU HA H 3.993 0.013 1 1300 210 210 LEU C C 175.811 0.503 1 1301 210 210 LEU CA C 55.596 0.503 1 1302 210 210 LEU CB C 40.062 0.503 1 1303 210 210 LEU N N 120.322 0.633 1 1304 211 211 ASN H H 8.460 0.013 1 1305 211 211 ASN HA H 4.640 0.013 1 1306 211 211 ASN C C 177.055 0.503 1 1307 211 211 ASN CA C 53.017 0.503 1 1308 211 211 ASN CB C 35.102 0.503 1 1309 211 211 ASN N N 118.683 0.633 1 1310 212 212 LYS H H 8.155 0.013 1 1311 212 212 LYS HA H 4.198 0.013 1 1312 212 212 LYS HB2 H 2.005 0.013 2 1313 212 212 LYS HB3 H 1.958 0.013 2 1314 212 212 LYS C C 175.735 0.503 1 1315 212 212 LYS CA C 57.024 0.503 1 1316 212 212 LYS CB C 30.025 0.503 1 1317 212 212 LYS CE C 39.445 0.503 1 1318 212 212 LYS N N 123.291 0.633 1 1319 213 213 ALA H H 8.046 0.013 1 1320 213 213 ALA HA H 4.289 0.013 1 1321 213 213 ALA HB H 1.512 0.013 1 1322 213 213 ALA C C 176.848 0.503 1 1323 213 213 ALA CA C 52.056 0.503 1 1324 213 213 ALA CB C 16.922 0.503 1 1325 213 213 ALA N N 121.756 0.633 1 1326 214 214 PHE H H 8.976 0.013 1 1327 214 214 PHE HA H 4.403 0.013 1 1328 214 214 PHE C C 174.521 0.503 1 1329 214 214 PHE CA C 59.075 0.503 1 1330 214 214 PHE CB C 36.062 0.503 1 1331 214 214 PHE N N 118.950 0.633 1 1332 215 215 ALA H H 8.042 0.013 1 1333 215 215 ALA HA H 3.831 0.013 1 1334 215 215 ALA HB H 1.608 0.013 1 1335 215 215 ALA C C 179.373 0.503 1 1336 215 215 ALA CA C 52.737 0.503 1 1337 215 215 ALA CB C 14.881 0.503 1 1338 215 215 ALA N N 121.056 0.633 1 1339 216 216 GLU H H 8.034 0.013 1 1340 216 216 GLU HA H 4.025 0.013 1 1341 216 216 GLU C C 175.881 0.503 1 1342 216 216 GLU CA C 57.021 0.503 1 1343 216 216 GLU CB C 26.637 0.503 1 1344 216 216 GLU N N 119.501 0.633 1 1345 217 217 MET H H 8.270 0.013 1 1346 217 217 MET HA H 4.346 0.013 1 1347 217 217 MET C C 176.479 0.503 1 1348 217 217 MET CA C 55.328 0.503 1 1349 217 217 MET CB C 30.977 0.503 1 1350 217 217 MET N N 120.126 0.633 1 1351 218 218 ARG H H 7.863 0.013 1 1352 218 218 ARG HA H 3.973 0.013 1 1353 218 218 ARG HB2 H 1.502 0.013 2 1354 218 218 ARG HB3 H 1.391 0.013 2 1355 218 218 ARG C C 176.397 0.503 1 1356 218 218 ARG CA C 56.496 0.503 1 1357 218 218 ARG CB C 25.862 0.503 1 1358 218 218 ARG N N 118.976 0.633 1 1359 219 219 ALA H H 7.873 0.013 1 1360 219 219 ALA HA H 4.177 0.013 1 1361 219 219 ALA HB H 1.502 0.013 1 1362 219 219 ALA C C 176.704 0.503 1 1363 219 219 ALA CA C 51.955 0.503 1 1364 219 219 ALA CB C 16.333 0.503 1 1365 219 219 ALA N N 122.034 0.633 1 1366 220 220 ASP H H 8.245 0.013 1 1367 220 220 ASP HA H 4.665 0.013 1 1368 220 220 ASP C C 175.212 0.503 1 1369 220 220 ASP CA C 50.863 0.503 1 1370 220 220 ASP CB C 37.640 0.503 1 1371 220 220 ASP N N 114.917 0.633 1 1372 221 221 GLY H H 7.276 0.013 1 1373 221 221 GLY HA2 H 4.485 0.013 2 1374 221 221 GLY HA3 H 4.076 0.013 2 1375 221 221 GLY C C 173.390 0.503 1 1376 221 221 GLY CA C 42.853 0.503 1 1377 221 221 GLY N N 106.187 0.633 1 1378 222 222 THR H H 9.199 0.013 1 1379 222 222 THR C C 173.122 0.503 1 1380 222 222 THR CA C 64.740 0.503 1 1381 222 222 THR CB C 65.569 0.503 1 1382 222 222 THR N N 121.803 0.633 1 1383 223 223 TYR H H 8.155 0.013 1 1384 223 223 TYR HB2 H 2.428 0.013 2 1385 223 223 TYR C C 173.301 0.503 1 1386 223 223 TYR CA C 60.337 0.503 1 1387 223 223 TYR CB C 36.477 0.503 1 1388 223 223 TYR N N 121.107 0.633 1 1389 224 224 GLU H H 8.168 0.013 1 1390 224 224 GLU HA H 4.151 0.013 1 1391 224 224 GLU C C 175.522 0.503 1 1392 224 224 GLU CA C 56.931 0.503 1 1393 224 224 GLU CB C 27.070 0.503 1 1394 224 224 GLU N N 117.721 0.633 1 1395 225 225 LYS H H 7.696 0.013 1 1396 225 225 LYS HA H 3.976 0.013 1 1397 225 225 LYS HB2 H 2.005 0.013 2 1398 225 225 LYS C C 176.807 0.503 1 1399 225 225 LYS CA C 57.342 0.503 1 1400 225 225 LYS CB C 29.923 0.503 1 1401 225 225 LYS N N 118.781 0.633 1 1402 226 226 LEU H H 8.177 0.013 1 1403 226 226 LEU HA H 4.266 0.013 1 1404 226 226 LEU HB2 H 2.124 0.013 2 1405 226 226 LEU C C 176.606 0.503 1 1406 226 226 LEU CA C 54.826 0.503 1 1407 226 226 LEU CB C 39.946 0.503 1 1408 226 226 LEU N N 118.608 0.633 1 1409 227 227 ALA H H 8.959 0.013 1 1410 227 227 ALA HA H 3.875 0.013 1 1411 227 227 ALA HB H 1.402 0.013 1 1412 227 227 ALA C C 177.833 0.503 1 1413 227 227 ALA CA C 52.858 0.503 1 1414 227 227 ALA CB C 15.593 0.503 1 1415 227 227 ALA N N 120.796 0.633 1 1416 228 228 LYS H H 8.192 0.013 1 1417 228 228 LYS HA H 4.395 0.013 1 1418 228 228 LYS HB2 H 1.941 0.013 2 1419 228 228 LYS HB3 H 1.882 0.013 2 1420 228 228 LYS C C 174.977 0.503 1 1421 228 228 LYS CA C 55.308 0.503 1 1422 228 228 LYS CB C 29.652 0.503 1 1423 228 228 LYS N N 116.837 0.633 1 1424 229 229 LYS H H 7.137 0.013 1 1425 229 229 LYS HA H 3.759 0.013 1 1426 229 229 LYS HB2 H 1.601 0.013 2 1427 229 229 LYS HB3 H 1.346 0.013 2 1428 229 229 LYS C C 174.036 0.503 1 1429 229 229 LYS CA C 55.812 0.503 1 1430 229 229 LYS CB C 29.515 0.503 1 1431 229 229 LYS CE C 39.168 0.503 1 1432 229 229 LYS N N 117.409 0.633 1 1433 230 230 TYR H H 7.031 0.013 1 1434 230 230 TYR HA H 3.902 0.013 1 1435 230 230 TYR HB2 H 1.361 0.013 2 1436 230 230 TYR HB3 H 0.892 0.013 2 1437 230 230 TYR C C 172.571 0.503 1 1438 230 230 TYR CA C 56.062 0.503 1 1439 230 230 TYR CB C 37.063 0.503 1 1440 230 230 TYR N N 113.361 0.633 1 1441 231 231 PHE H H 8.178 0.013 1 1442 231 231 PHE HA H 5.050 0.013 1 1443 231 231 PHE HB2 H 2.326 0.013 2 1444 231 231 PHE HB3 H 2.066 0.013 2 1445 231 231 PHE C C 173.133 0.503 1 1446 231 231 PHE CA C 52.302 0.503 1 1447 231 231 PHE CB C 39.400 0.503 1 1448 231 231 PHE N N 115.712 0.633 1 1449 232 232 ASP H H 8.607 0.013 1 1450 232 232 ASP HA H 4.800 0.013 1 1451 232 232 ASP C C 171.658 0.503 1 1452 232 232 ASP CA C 49.929 0.503 1 1453 232 232 ASP CB C 37.521 0.503 1 1454 232 232 ASP N N 122.464 0.633 1 1455 233 233 PHE H H 6.722 0.013 1 1456 233 233 PHE HA H 4.919 0.013 1 1457 233 233 PHE C C 171.125 0.503 1 1458 233 233 PHE CA C 51.494 0.503 1 1459 233 233 PHE CB C 38.000 0.503 1 1460 233 233 PHE N N 114.466 0.633 1 1461 234 234 ASP H H 8.710 0.013 1 1462 234 234 ASP C C 173.214 0.503 1 1463 234 234 ASP CA C 51.006 0.503 1 1464 234 234 ASP CB C 37.577 0.503 1 1465 234 234 ASP N N 118.770 0.633 1 1466 235 235 VAL H H 7.584 0.013 1 1467 235 235 VAL HA H 4.001 0.013 1 1468 235 235 VAL C C 172.816 0.503 1 1469 235 235 VAL CA C 59.355 0.503 1 1470 235 235 VAL CB C 30.734 0.503 1 1471 235 235 VAL N N 128.290 0.633 1 1472 236 236 TYR H H 8.429 0.013 1 1473 236 236 TYR C C 174.133 0.503 1 1474 236 236 TYR CA C 59.938 0.503 1 1475 236 236 TYR CB C 36.196 0.503 1 1476 236 236 TYR N N 123.887 0.633 1 1477 237 237 GLY H H 7.718 0.013 1 1478 237 237 GLY HA2 H 3.923 0.013 2 1479 237 237 GLY HA3 H 3.758 0.013 2 1480 237 237 GLY C C 171.561 0.503 1 1481 237 237 GLY CA C 43.390 0.503 1 1482 237 237 GLY N N 104.244 0.633 1 1483 238 238 GLY H H 7.885 0.013 1 1484 238 238 GLY HA2 H 3.795 0.013 2 1485 238 238 GLY C C 176.351 0.503 1 1486 238 238 GLY N N 114.982 0.633 1 stop_ save_