data_16205 ####################### # 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 16205 _BMRB_flat_file_name bmr16205.str _Entry_type original _Submission_date 2009-03-09 _Accession_date 2009-03-09 _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" 579 "13C chemical shifts" 755 "15N chemical shifts" 213 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 'apo HisJ' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label subunit1 $HisJ 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 16204 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_ #################### # 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]' 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_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _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 298 . 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 TSP C 13 'methyl protons' ppm 0.00 internal indirect . . . 0.251449530 TSP H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 TSP N 15 'methyl protons' ppm 0.00 internal 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HN(CA)CO' '3D 1H-15N TOCSY' '3D HBHA(CO)NH' 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 C C 173.394 0.503 1 2 3 3 PRO CA C 60.006 0.503 1 3 3 3 PRO CB C 29.727 0.503 1 4 4 4 GLN H H 8.412 0.013 1 5 4 4 GLN HA H 4.072 0.013 1 6 4 4 GLN HB2 H 2.062 0.013 2 7 4 4 GLN HB3 H 1.926 0.013 2 8 4 4 GLN C C 172.779 0.503 1 9 4 4 GLN CA C 54.981 0.503 1 10 4 4 GLN CB C 26.595 0.503 1 11 4 4 GLN CG C 31.789 0.503 1 12 4 4 GLN N N 118.868 0.633 1 13 5 5 ASN H H 7.383 0.013 1 14 5 5 ASN HA H 5.338 0.013 1 15 5 5 ASN HB2 H 2.433 0.013 2 16 5 5 ASN C C 170.788 0.503 1 17 5 5 ASN CA C 49.409 0.503 1 18 5 5 ASN CB C 38.685 0.503 1 19 5 5 ASN N N 115.390 0.633 1 20 6 6 ILE H H 8.356 0.013 1 21 6 6 ILE HA H 4.319 0.013 1 22 6 6 ILE HB H 1.748 0.013 1 23 6 6 ILE C C 171.943 0.503 1 24 6 6 ILE CA C 56.840 0.503 1 25 6 6 ILE CB C 38.513 0.503 1 26 6 6 ILE N N 119.108 0.633 1 27 7 7 ARG H H 9.113 0.013 1 28 7 7 ARG HA H 4.747 0.013 1 29 7 7 ARG HB2 H 1.649 0.013 2 30 7 7 ARG HB3 H 1.463 0.013 2 31 7 7 ARG C C 173.114 0.503 1 32 7 7 ARG CA C 51.512 0.503 1 33 7 7 ARG CB C 29.264 0.503 1 34 7 7 ARG N N 125.327 0.633 1 35 8 8 ILE H H 9.234 0.013 1 36 8 8 ILE HA H 4.405 0.013 1 37 8 8 ILE HB H 1.163 0.013 1 38 8 8 ILE C C 172.835 0.503 1 39 8 8 ILE CA C 57.101 0.503 1 40 8 8 ILE CB C 35.722 0.503 1 41 8 8 ILE N N 126.578 0.633 1 42 9 9 GLY H H 9.361 0.013 1 43 9 9 GLY HA2 H 3.123 0.013 2 44 9 9 GLY HA3 H 5.381 0.013 2 45 9 9 GLY C C 168.946 0.503 1 46 9 9 GLY CA C 42.217 0.503 1 47 9 9 GLY N N 114.222 0.633 1 48 10 10 THR H H 8.594 0.013 1 49 10 10 THR C C 179.813 0.503 1 50 10 10 THR CA C 59.189 0.503 1 51 10 10 THR CB C 67.875 0.503 1 52 10 10 THR CG2 C 16.247 0.503 1 53 10 10 THR N N 119.875 0.633 1 54 11 11 ASP H H 8.150 0.013 1 55 11 11 ASP C C 174.853 0.503 1 56 11 11 ASP CB C 38.593 0.503 1 57 11 11 ASP N N 126.383 0.633 1 58 12 12 PRO HA H 4.355 0.013 1 59 12 12 PRO HB2 H 2.056 0.013 2 60 12 12 PRO HB3 H 1.267 0.013 2 61 12 12 PRO C C 172.612 0.503 1 62 12 12 PRO CA C 59.642 0.503 1 63 12 12 PRO CB C 25.996 0.503 1 64 13 13 THR H H 8.718 0.013 1 65 13 13 THR C C 171.272 0.503 1 66 13 13 THR CA C 57.185 0.503 1 67 13 13 THR CB C 66.420 0.503 1 68 13 13 THR CG2 C 18.903 0.503 1 69 13 13 THR N N 115.480 0.633 1 70 14 14 TYR H H 8.910 0.013 1 71 14 14 TYR HA H 5.312 0.013 1 72 14 14 TYR HB2 H 3.650 0.013 2 73 14 14 TYR HB3 H 2.825 0.013 2 74 14 14 TYR C C 172.421 0.503 1 75 14 14 TYR CA C 51.697 0.503 1 76 14 14 TYR CB C 36.726 0.503 1 77 14 14 TYR N N 125.133 0.633 1 78 15 15 ALA H H 8.913 0.013 1 79 15 15 ALA C C 173.202 0.503 1 80 15 15 ALA CA C 49.161 0.503 1 81 15 15 ALA CB C 14.116 0.503 1 82 15 15 ALA N N 131.541 0.633 1 83 16 16 PRO HA H 4.245 0.013 1 84 16 16 PRO HB2 H 1.873 0.013 2 85 16 16 PRO HB3 H 1.706 0.013 2 86 16 16 PRO CA C 60.733 0.503 1 87 16 16 PRO CB C 29.880 0.503 1 88 17 17 PHE H H 8.094 0.013 1 89 17 17 PHE HA H 4.026 0.013 1 90 17 17 PHE HB2 H 3.101 0.013 2 91 17 17 PHE HB3 H 2.885 0.013 2 92 17 17 PHE CA C 59.960 0.503 1 93 17 17 PHE CB C 35.881 0.503 1 94 17 17 PHE N N 124.541 0.633 1 95 18 18 GLU H H 7.697 0.013 1 96 18 18 GLU HA H 4.667 0.013 1 97 18 18 GLU C C 170.850 0.503 1 98 18 18 GLU CA C 52.045 0.503 1 99 18 18 GLU CB C 27.065 0.503 1 100 18 18 GLU N N 111.246 0.633 1 101 19 19 SER H H 8.738 0.013 1 102 19 19 SER C C 168.819 0.503 1 103 19 19 SER CA C 54.840 0.503 1 104 19 19 SER CB C 60.570 0.503 1 105 19 19 SER N N 116.688 0.633 1 106 20 20 LYS H H 8.196 0.013 1 107 20 20 LYS HA H 5.406 0.013 1 108 20 20 LYS HB2 H 1.572 0.013 2 109 20 20 LYS C C 174.839 0.503 1 110 20 20 LYS CA C 51.350 0.503 1 111 20 20 LYS CB C 31.682 0.503 1 112 20 20 LYS CD C 26.095 0.503 4 113 20 20 LYS CE C 39.043 0.503 1 114 20 20 LYS CG C 22.517 0.503 4 115 20 20 LYS N N 116.818 0.633 1 116 21 21 ASN H H 8.556 0.013 1 117 21 21 ASN C C 175.290 0.503 1 118 21 21 ASN CA C 47.901 0.503 1 119 21 21 ASN CB C 35.939 0.503 1 120 21 21 ASN N N 121.830 0.633 1 121 22 22 SER C C 172.618 0.503 1 122 22 22 SER CA C 58.657 0.503 1 123 22 22 SER CB C 60.014 0.503 1 124 23 23 GLN H H 7.497 0.013 1 125 23 23 GLN HA H 4.385 0.013 1 126 23 23 GLN HB2 H 2.256 0.013 2 127 23 23 GLN HB3 H 1.902 0.013 2 128 23 23 GLN C C 173.412 0.503 1 129 23 23 GLN CA C 52.931 0.503 1 130 23 23 GLN CB C 26.339 0.503 1 131 23 23 GLN CG C 31.885 0.503 1 132 23 23 GLN N N 118.671 0.633 1 133 24 24 GLY H H 8.150 0.013 1 134 24 24 GLY HA2 H 4.171 0.013 2 135 24 24 GLY HA3 H 3.556 0.013 2 136 24 24 GLY C C 170.998 0.503 1 137 24 24 GLY CA C 42.723 0.503 1 138 24 24 GLY N N 108.120 0.633 1 139 25 25 GLU H H 7.814 0.013 1 140 25 25 GLU HA H 4.230 0.013 1 141 25 25 GLU HB2 H 1.792 0.013 2 142 25 25 GLU C C 173.007 0.503 1 143 25 25 GLU CA C 52.226 0.503 1 144 25 25 GLU CB C 27.887 0.503 1 145 25 25 GLU CG C 33.343 0.503 1 146 25 25 GLU N N 120.539 0.633 1 147 26 26 LEU H H 8.251 0.013 1 148 26 26 LEU HA H 4.674 0.013 1 149 26 26 LEU HB2 H 1.379 0.013 2 150 26 26 LEU HB3 H 1.057 0.013 2 151 26 26 LEU C C 173.650 0.503 1 152 26 26 LEU CA C 51.792 0.503 1 153 26 26 LEU CB C 39.514 0.503 1 154 26 26 LEU N N 122.984 0.633 1 155 27 27 VAL H H 8.868 0.013 1 156 27 27 VAL HA H 4.659 0.013 1 157 27 27 VAL HB H 2.018 0.013 1 158 27 27 VAL C C 172.472 0.503 1 159 27 27 VAL CA C 55.971 0.503 1 160 27 27 VAL CB C 34.227 0.503 1 161 27 27 VAL CG1 C 19.378 0.503 1 162 27 27 VAL CG2 C 15.293 0.503 1 163 27 27 VAL N N 117.539 0.633 1 164 28 28 GLY H H 8.588 0.013 1 165 28 28 GLY HA2 H 4.378 0.013 2 166 28 28 GLY HA3 H 3.269 0.013 2 167 28 28 GLY C C 171.598 0.503 1 168 28 28 GLY CA C 41.514 0.503 1 169 28 28 GLY N N 109.294 0.633 1 170 29 29 PHE H H 8.256 0.013 1 171 29 29 PHE HA H 4.028 0.013 1 172 29 29 PHE HB2 H 2.187 0.013 2 173 29 29 PHE HB3 H 1.893 0.013 2 174 29 29 PHE C C 175.107 0.503 1 175 29 29 PHE CA C 57.466 0.503 1 176 29 29 PHE CB C 36.933 0.503 1 177 29 29 PHE N N 119.288 0.633 1 178 30 30 ASP H H 8.916 0.013 1 179 30 30 ASP HA H 4.367 0.013 1 180 30 30 ASP HB2 H 3.182 0.013 2 181 30 30 ASP HB3 H 2.346 0.013 2 182 30 30 ASP C C 176.357 0.503 1 183 30 30 ASP CA C 53.823 0.503 1 184 30 30 ASP CB C 36.349 0.503 1 185 30 30 ASP N N 116.015 0.633 1 186 31 31 ILE H H 6.533 0.013 1 187 31 31 ILE HA H 3.483 0.013 1 188 31 31 ILE HB H 2.208 0.013 1 189 31 31 ILE C C 175.130 0.503 1 190 31 31 ILE CA C 58.706 0.503 1 191 31 31 ILE CB C 31.760 0.503 1 192 31 31 ILE N N 118.158 0.633 1 193 32 32 ASP H H 8.522 0.013 1 194 32 32 ASP C C 177.502 0.503 1 195 32 32 ASP CA C 54.843 0.503 1 196 32 32 ASP CB C 38.403 0.503 1 197 32 32 ASP N N 120.588 0.633 1 198 33 33 LEU H H 8.479 0.013 1 199 33 33 LEU HA H 3.729 0.013 1 200 33 33 LEU HB2 H 1.799 0.013 2 201 33 33 LEU HB3 H 1.044 0.013 2 202 33 33 LEU C C 175.658 0.503 1 203 33 33 LEU CA C 55.590 0.503 1 204 33 33 LEU CB C 40.537 0.503 1 205 33 33 LEU N N 119.894 0.633 1 206 34 34 ALA H H 8.373 0.013 1 207 34 34 ALA HA H 3.878 0.013 1 208 34 34 ALA HB H 1.667 0.013 1 209 34 34 ALA C C 175.793 0.503 1 210 34 34 ALA CA C 52.890 0.503 1 211 34 34 ALA CB C 15.462 0.503 1 212 34 34 ALA N N 119.678 0.633 1 213 35 35 LYS H H 8.783 0.013 1 214 35 35 LYS HA H 3.925 0.013 1 215 35 35 LYS HB2 H 1.954 0.013 2 216 35 35 LYS HB3 H 1.870 0.013 2 217 35 35 LYS C C 177.291 0.503 1 218 35 35 LYS CA C 58.325 0.503 1 219 35 35 LYS CB C 30.060 0.503 1 220 35 35 LYS CD C 24.170 0.503 4 221 35 35 LYS CE C 39.353 0.503 1 222 35 35 LYS CG C 27.275 0.503 4 223 35 35 LYS N N 115.910 0.633 1 224 36 36 GLU H H 7.662 0.013 1 225 36 36 GLU HA H 4.161 0.013 1 226 36 36 GLU HB2 H 1.979 0.013 2 227 36 36 GLU C C 175.532 0.503 1 228 36 36 GLU CA C 56.140 0.503 1 229 36 36 GLU CB C 26.145 0.503 1 230 36 36 GLU N N 120.887 0.633 1 231 37 37 LEU H H 8.555 0.013 1 232 37 37 LEU HA H 3.791 0.013 1 233 37 37 LEU HB2 H 1.925 0.013 2 234 37 37 LEU HB3 H 1.180 0.013 2 235 37 37 LEU C C 175.869 0.503 1 236 37 37 LEU CA C 56.100 0.503 1 237 37 37 LEU CB C 38.517 0.503 1 238 37 37 LEU N N 120.954 0.633 1 239 38 38 CYS H H 8.610 0.013 1 240 38 38 CYS HA H 3.856 0.013 1 241 38 38 CYS HB2 H 2.912 0.013 2 242 38 38 CYS C C 172.988 0.503 1 243 38 38 CYS CA C 60.343 0.503 1 244 38 38 CYS CB C 44.511 0.503 1 245 38 38 CYS N N 115.142 0.633 1 246 39 39 LYS H H 7.459 0.013 1 247 39 39 LYS HA H 4.090 0.013 1 248 39 39 LYS HB2 H 1.946 0.013 2 249 39 39 LYS C C 177.984 0.503 1 250 39 39 LYS CA C 56.459 0.503 1 251 39 39 LYS CB C 29.587 0.503 1 252 39 39 LYS N N 118.642 0.633 1 253 40 40 ARG H H 8.038 0.013 1 254 40 40 ARG HA H 4.035 0.013 1 255 40 40 ARG C C 175.949 0.503 1 256 40 40 ARG CA C 56.332 0.503 1 257 40 40 ARG CB C 28.196 0.503 1 258 40 40 ARG N N 118.892 0.633 1 259 41 41 ILE H H 7.756 0.013 1 260 41 41 ILE HA H 4.481 0.013 1 261 41 41 ILE HB H 2.011 0.013 1 262 41 41 ILE C C 172.130 0.503 1 263 41 41 ILE CA C 58.586 0.503 1 264 41 41 ILE CB C 34.867 0.503 1 265 41 41 ILE N N 110.992 0.633 1 266 42 42 ASN H H 7.716 0.013 1 267 42 42 ASN HA H 4.270 0.013 1 268 42 42 ASN HB2 H 3.139 0.013 2 269 42 42 ASN HB3 H 2.554 0.013 2 270 42 42 ASN C C 170.759 0.503 1 271 42 42 ASN CA C 51.226 0.503 1 272 42 42 ASN CB C 34.402 0.503 1 273 42 42 ASN N N 117.920 0.633 1 274 43 43 THR H H 7.875 0.013 1 275 43 43 THR C C 170.221 0.503 1 276 43 43 THR CA C 57.638 0.503 1 277 43 43 THR CB C 68.207 0.503 1 278 43 43 THR N N 112.504 0.633 1 279 44 44 GLN H H 8.017 0.013 1 280 44 44 GLN C C 172.696 0.503 1 281 44 44 GLN CA C 52.152 0.503 1 282 44 44 GLN CB C 26.716 0.503 1 283 44 44 GLN N N 123.254 0.633 1 284 45 45 CYS H H 8.908 0.013 1 285 45 45 CYS HA H 5.051 0.013 1 286 45 45 CYS HB2 H 2.644 0.013 2 287 45 45 CYS C C 171.044 0.503 1 288 45 45 CYS CA C 50.748 0.503 1 289 45 45 CYS CB C 44.645 0.503 1 290 45 45 CYS N N 123.670 0.633 1 291 46 46 THR H H 8.230 0.013 1 292 46 46 THR C C 169.941 0.503 1 293 46 46 THR CA C 57.877 0.503 1 294 46 46 THR CB C 68.830 0.503 1 295 46 46 THR N N 118.066 0.633 1 296 47 47 PHE H H 8.958 0.013 1 297 47 47 PHE HA H 5.366 0.013 1 298 47 47 PHE HB2 H 2.879 0.013 2 299 47 47 PHE HB3 H 2.556 0.013 2 300 47 47 PHE C C 173.065 0.503 1 301 47 47 PHE CA C 54.957 0.503 1 302 47 47 PHE CB C 38.774 0.503 1 303 47 47 PHE N N 123.410 0.633 1 304 48 48 VAL H H 9.246 0.013 1 305 48 48 VAL HA H 4.135 0.013 1 306 48 48 VAL C C 171.907 0.503 1 307 48 48 VAL CA C 58.319 0.503 1 308 48 48 VAL CB C 31.860 0.503 1 309 48 48 VAL N N 125.613 0.633 1 310 49 49 GLU H H 8.587 0.013 1 311 49 49 GLU HA H 5.209 0.013 1 312 49 49 GLU C C 174.094 0.503 1 313 49 49 GLU CA C 52.067 0.503 1 314 49 49 GLU CB C 27.567 0.503 1 315 49 49 GLU CG C 33.501 0.503 1 316 49 49 GLU N N 126.392 0.633 1 317 50 50 ASN H H 8.908 0.013 1 318 50 50 ASN HA H 4.898 0.013 1 319 50 50 ASN C C 167.880 0.503 1 320 50 50 ASN CA C 48.756 0.503 1 321 50 50 ASN CB C 41.905 0.503 1 322 50 50 ASN N N 126.578 0.633 1 323 51 51 PRO C C 175.879 0.503 1 324 51 51 PRO CA C 59.323 0.503 1 325 51 51 PRO CB C 29.631 0.503 1 326 51 51 PRO CD C 47.121 0.503 1 327 51 51 PRO CG C 25.102 0.503 1 328 52 52 LEU H H 9.095 0.013 1 329 52 52 LEU C C 176.829 0.503 1 330 52 52 LEU CA C 55.877 0.503 1 331 52 52 LEU CB C 39.775 0.503 1 332 52 52 LEU N N 123.743 0.633 1 333 53 53 ASP H H 8.624 0.013 1 334 53 53 ASP HA H 4.226 0.013 1 335 53 53 ASP C C 173.744 0.503 1 336 53 53 ASP CA C 53.678 0.503 1 337 53 53 ASP CB C 37.442 0.503 1 338 53 53 ASP N N 114.815 0.633 1 339 54 54 ALA H H 8.056 0.013 1 340 54 54 ALA HA H 4.414 0.013 1 341 54 54 ALA HB H 1.322 0.013 1 342 54 54 ALA C C 177.187 0.503 1 343 54 54 ALA CA C 49.132 0.503 1 344 54 54 ALA CB C 17.248 0.503 1 345 54 54 ALA N N 119.862 0.633 1 346 55 55 LEU H H 7.784 0.013 1 347 55 55 LEU C C 171.044 0.503 1 348 55 55 LEU CA C 56.590 0.503 1 349 55 55 LEU N N 121.809 0.633 1 350 57 57 PRO C C 177.291 0.503 1 351 57 57 PRO CA C 63.803 0.503 1 352 57 57 PRO CB C 28.150 0.503 1 353 57 57 PRO CD C 46.335 0.503 1 354 58 58 SER H H 7.837 0.013 1 355 58 58 SER C C 172.752 0.503 1 356 58 58 SER CA C 60.015 0.503 1 357 58 58 SER N N 114.240 0.633 1 358 59 59 LEU H H 8.280 0.013 1 359 59 59 LEU HA H 3.958 0.013 1 360 59 59 LEU C C 178.291 0.503 1 361 59 59 LEU CA C 55.097 0.503 1 362 59 59 LEU CB C 40.187 0.503 1 363 59 59 LEU N N 125.583 0.633 1 364 60 60 LYS H H 8.446 0.013 1 365 60 60 LYS HA H 3.816 0.013 1 366 60 60 LYS C C 175.129 0.503 1 367 60 60 LYS CA C 57.303 0.503 1 368 60 60 LYS CB C 28.998 0.503 1 369 60 60 LYS N N 120.498 0.633 1 370 61 61 ALA H H 7.662 0.013 1 371 61 61 ALA HA H 4.331 0.013 1 372 61 61 ALA HB H 1.415 0.013 1 373 61 61 ALA C C 173.402 0.503 1 374 61 61 ALA CA C 49.310 0.503 1 375 61 61 ALA CB C 16.211 0.503 1 376 61 61 ALA N N 118.157 0.633 1 377 62 62 LYS H H 7.731 0.013 1 378 62 62 LYS HA H 3.855 0.013 1 379 62 62 LYS C C 173.201 0.503 1 380 62 62 LYS CA C 55.614 0.503 1 381 62 62 LYS CE C 39.561 0.503 1 382 62 62 LYS N N 111.361 0.633 1 383 63 63 LYS H H 8.388 0.013 1 384 63 63 LYS HA H 4.144 0.013 1 385 63 63 LYS HB2 H 1.812 0.013 2 386 63 63 LYS HB3 H 1.621 0.013 2 387 63 63 LYS C C 173.795 0.503 1 388 63 63 LYS CA C 54.884 0.503 1 389 63 63 LYS CB C 30.432 0.503 1 390 63 63 LYS CD C 22.840 0.503 4 391 63 63 LYS CE C 39.384 0.503 1 392 63 63 LYS CG C 26.057 0.503 4 393 63 63 LYS N N 117.725 0.633 1 394 64 64 ILE H H 7.025 0.013 1 395 64 64 ILE HA H 4.193 0.013 1 396 64 64 ILE HB H 1.830 0.013 1 397 64 64 ILE C C 171.264 0.503 1 398 64 64 ILE CA C 56.605 0.503 1 399 64 64 ILE CB C 38.701 0.503 1 400 64 64 ILE N N 106.874 0.633 1 401 65 65 ASP H H 9.649 0.013 1 402 65 65 ASP HA H 4.651 0.013 1 403 65 65 ASP HB2 H 2.664 0.013 2 404 65 65 ASP HB3 H 2.364 0.013 2 405 65 65 ASP C C 169.527 0.503 1 406 65 65 ASP CA C 53.302 0.503 1 407 65 65 ASP CB C 42.132 0.503 1 408 65 65 ASP N N 118.508 0.633 1 409 66 66 ALA H H 7.639 0.013 1 410 66 66 ALA HA H 5.101 0.013 1 411 66 66 ALA HB H 1.083 0.013 1 412 66 66 ALA C C 173.160 0.503 1 413 66 66 ALA CA C 47.739 0.503 1 414 66 66 ALA CB C 20.044 0.503 1 415 66 66 ALA N N 116.883 0.633 1 416 67 67 ILE H H 9.363 0.013 1 417 67 67 ILE HA H 4.472 0.013 1 418 67 67 ILE HB H 1.182 0.013 1 419 67 67 ILE C C 171.770 0.503 1 420 67 67 ILE CA C 57.607 0.503 1 421 67 67 ILE CB C 39.458 0.503 1 422 67 67 ILE N N 119.974 0.633 1 423 68 68 MET H H 8.430 0.013 1 424 68 68 MET C C 169.717 0.503 1 425 68 68 MET CA C 50.608 0.503 1 426 68 68 MET CB C 32.055 0.503 1 427 68 68 MET N N 127.849 0.633 1 428 78 78 GLN HA H 4.719 0.013 1 429 78 78 GLN HB2 H 2.241 0.013 2 430 78 78 GLN C C 173.824 0.503 1 431 78 78 GLN CA C 55.378 0.503 1 432 78 78 GLN CB C 27.031 0.503 1 433 78 78 GLN CG C 33.195 0.503 1 434 79 79 GLN H H 7.286 0.013 1 435 79 79 GLN HA H 4.131 0.013 1 436 79 79 GLN HB2 H 2.135 0.013 2 437 79 79 GLN C C 174.587 0.503 1 438 79 79 GLN CA C 54.753 0.503 1 439 79 79 GLN CB C 26.049 0.503 1 440 79 79 GLN CG C 31.136 0.503 1 441 79 79 GLN N N 114.772 0.633 1 442 80 80 GLU H H 7.605 0.013 1 443 80 80 GLU HA H 4.461 0.013 1 444 80 80 GLU HB2 H 1.946 0.013 2 445 80 80 GLU C C 173.600 0.503 1 446 80 80 GLU CA C 54.584 0.503 1 447 80 80 GLU CB C 31.263 0.503 1 448 80 80 GLU CG C 33.453 0.503 1 449 80 80 GLU N N 115.066 0.633 1 450 81 81 ILE H H 8.240 0.013 1 451 81 81 ILE HA H 4.476 0.013 1 452 81 81 ILE HB H 1.942 0.013 1 453 81 81 ILE C C 169.804 0.503 1 454 81 81 ILE CA C 57.003 0.503 1 455 81 81 ILE CB C 38.962 0.503 1 456 81 81 ILE N N 114.473 0.633 1 457 82 82 ALA H H 8.667 0.013 1 458 82 82 ALA HA H 4.725 0.013 1 459 82 82 ALA HB H 1.091 0.013 1 460 82 82 ALA C C 172.189 0.503 1 461 82 82 ALA CA C 46.708 0.503 1 462 82 82 ALA CB C 20.460 0.503 1 463 82 82 ALA N N 120.155 0.633 1 464 83 83 PHE H H 8.241 0.013 1 465 83 83 PHE HA H 5.697 0.013 1 466 83 83 PHE HB2 H 3.190 0.013 2 467 83 83 PHE HB3 H 2.494 0.013 2 468 83 83 PHE C C 176.026 0.503 1 469 83 83 PHE CA C 53.443 0.503 1 470 83 83 PHE CB C 42.383 0.503 1 471 83 83 PHE N N 114.949 0.633 1 472 84 84 THR H H 7.845 0.013 1 473 84 84 THR C C 171.834 0.503 1 474 84 84 THR CA C 59.587 0.503 1 475 84 84 THR CB C 70.615 0.503 1 476 84 84 THR CG2 C 20.057 0.503 1 477 84 84 THR N N 107.611 0.633 1 478 85 85 ASP H H 8.762 0.013 1 479 85 85 ASP HA H 4.236 0.013 1 480 85 85 ASP HB2 H 2.700 0.013 2 481 85 85 ASP HB3 H 2.216 0.013 2 482 85 85 ASP C C 171.501 0.503 1 483 85 85 ASP CA C 52.778 0.503 1 484 85 85 ASP CB C 38.794 0.503 1 485 85 85 ASP N N 117.951 0.633 1 486 86 86 LYS H H 7.650 0.013 1 487 86 86 LYS HA H 3.907 0.013 1 488 86 86 LYS HB2 H 1.555 0.013 2 489 86 86 LYS HB3 H 1.377 0.013 2 490 86 86 LYS C C 173.450 0.503 1 491 86 86 LYS CA C 53.384 0.503 1 492 86 86 LYS CB C 30.141 0.503 1 493 86 86 LYS CD C 22.197 0.503 4 494 86 86 LYS CE C 39.321 0.503 1 495 86 86 LYS CG C 26.665 0.503 4 496 86 86 LYS N N 117.629 0.633 1 497 87 87 LEU H H 8.761 0.013 1 498 87 87 LEU HA H 4.416 0.013 1 499 87 87 LEU HB2 H 1.192 0.013 2 500 87 87 LEU C C 175.147 0.503 1 501 87 87 LEU CA C 52.148 0.503 1 502 87 87 LEU CB C 40.098 0.503 1 503 87 87 LEU N N 122.914 0.633 1 504 88 88 TYR H H 6.819 0.013 1 505 88 88 TYR HA H 4.518 0.013 1 506 88 88 TYR HB2 H 3.731 0.013 2 507 88 88 TYR HB3 H 3.279 0.013 2 508 88 88 TYR C C 169.871 0.503 1 509 88 88 TYR CA C 53.667 0.503 1 510 88 88 TYR CB C 35.620 0.503 1 511 88 88 TYR N N 109.941 0.633 1 512 89 89 ALA H H 8.143 0.013 1 513 89 89 ALA HA H 4.260 0.013 1 514 89 89 ALA C C 172.807 0.503 1 515 89 89 ALA CA C 49.649 0.503 1 516 89 89 ALA CB C 18.376 0.503 1 517 89 89 ALA N N 122.618 0.633 1 518 90 90 ALA H H 8.616 0.013 1 519 90 90 ALA HA H 4.648 0.013 1 520 90 90 ALA HB H 1.088 0.013 1 521 90 90 ALA C C 173.081 0.503 1 522 90 90 ALA CA C 48.602 0.503 1 523 90 90 ALA CB C 16.436 0.503 1 524 90 90 ALA N N 126.443 0.633 1 525 91 91 ASP H H 8.405 0.013 1 526 91 91 ASP C C 172.626 0.503 1 527 91 91 ASP CA C 51.542 0.503 1 528 91 91 ASP CB C 40.010 0.503 1 529 91 91 ASP N N 122.173 0.633 1 530 92 92 SER H H 6.855 0.013 1 531 92 92 SER CA C 55.540 0.503 1 532 92 92 SER CB C 64.076 0.503 1 533 92 92 SER N N 109.910 0.633 1 534 93 93 ARG H H 9.192 0.013 1 535 93 93 ARG HA H 4.232 0.013 1 536 93 93 ARG C C 170.943 0.503 1 537 93 93 ARG CA C 55.115 0.503 1 538 93 93 ARG CB C 32.460 0.503 1 539 93 93 ARG N N 123.694 0.633 1 540 94 94 LEU H H 9.299 0.013 1 541 94 94 LEU HA H 5.332 0.013 1 542 94 94 LEU HB2 H 2.087 0.013 2 543 94 94 LEU HB3 H 1.031 0.013 2 544 94 94 LEU C C 174.851 0.503 1 545 94 94 LEU CA C 51.706 0.503 1 546 94 94 LEU CB C 40.999 0.503 1 547 94 94 LEU N N 123.504 0.633 1 548 95 95 VAL H H 9.467 0.013 1 549 95 95 VAL HA H 4.898 0.013 1 550 95 95 VAL HB H 1.929 0.013 1 551 95 95 VAL C C 172.924 0.503 1 552 95 95 VAL CA C 59.368 0.503 1 553 95 95 VAL CB C 31.152 0.503 1 554 95 95 VAL CG1 C 19.929 0.503 1 555 95 95 VAL CG2 C 19.289 0.503 1 556 95 95 VAL N N 123.987 0.633 1 557 96 96 VAL H H 9.167 0.013 1 558 96 96 VAL HA H 5.068 0.013 1 559 96 96 VAL C C 171.804 0.503 1 560 96 96 VAL CA C 55.831 0.503 1 561 96 96 VAL CB C 34.901 0.503 1 562 96 96 VAL N N 116.203 0.633 1 563 97 97 ALA H H 9.017 0.013 1 564 97 97 ALA HA H 3.940 0.013 1 565 97 97 ALA HB H 1.391 0.013 1 566 97 97 ALA C C 176.458 0.503 1 567 97 97 ALA CA C 50.312 0.503 1 568 97 97 ALA CB C 16.245 0.503 1 569 97 97 ALA N N 122.938 0.633 1 570 98 98 LYS H H 7.840 0.013 1 571 98 98 LYS HA H 3.483 0.013 1 572 98 98 LYS HB2 H 1.471 0.013 2 573 98 98 LYS C C 174.022 0.503 1 574 98 98 LYS CA C 57.259 0.503 1 575 98 98 LYS CB C 29.535 0.503 1 576 98 98 LYS CD C 26.974 0.503 4 577 98 98 LYS CE C 39.381 0.503 1 578 98 98 LYS CG C 23.403 0.503 4 579 98 98 LYS N N 119.075 0.633 1 580 99 99 ASN H H 7.915 0.013 1 581 99 99 ASN HA H 4.680 0.013 1 582 99 99 ASN HB2 H 2.831 0.013 2 583 99 99 ASN HB3 H 2.688 0.013 2 584 99 99 ASN C C 172.710 0.503 1 585 99 99 ASN CA C 49.729 0.503 1 586 99 99 ASN CB C 34.795 0.503 1 587 99 99 ASN N N 113.915 0.633 1 588 100 100 SER H H 7.671 0.013 1 589 100 100 SER C C 173.189 0.503 1 590 100 100 SER CA C 55.760 0.503 1 591 100 100 SER CB C 62.018 0.503 1 592 100 100 SER N N 114.108 0.633 1 593 101 101 ASP H H 8.518 0.013 1 594 101 101 ASP HA H 4.785 0.013 1 595 101 101 ASP HB2 H 2.673 0.013 2 596 101 101 ASP C C 173.874 0.503 1 597 101 101 ASP CA C 50.524 0.503 1 598 101 101 ASP CB C 38.203 0.503 1 599 101 101 ASP N N 127.782 0.633 1 600 102 102 ILE H H 7.790 0.013 1 601 102 102 ILE HA H 3.435 0.013 1 602 102 102 ILE HB H 1.510 0.013 1 603 102 102 ILE C C 171.076 0.503 1 604 102 102 ILE CA C 61.439 0.503 1 605 102 102 ILE CB C 35.683 0.503 1 606 102 102 ILE N N 122.082 0.633 1 607 103 103 GLN H H 8.145 0.013 1 608 103 103 GLN C C 171.923 0.503 1 609 103 103 GLN CB C 29.117 0.503 1 610 103 103 GLN N N 124.161 0.633 1 611 104 104 PRO HA H 4.391 0.013 1 612 104 104 PRO HB2 H 2.488 0.013 2 613 104 104 PRO HB3 H 1.762 0.013 2 614 104 104 PRO C C 172.577 0.503 1 615 104 104 PRO CA C 59.642 0.503 1 616 104 104 PRO CB C 24.982 0.503 1 617 104 104 PRO CD C 46.572 0.503 1 618 105 105 THR H H 8.508 0.013 1 619 105 105 THR C C 171.278 0.503 1 620 105 105 THR CA C 55.361 0.503 1 621 105 105 THR CB C 68.827 0.503 1 622 105 105 THR CG2 C 19.034 0.503 1 623 105 105 THR N N 113.937 0.633 1 624 106 106 VAL H H 8.748 0.013 1 625 106 106 VAL HA H 3.343 0.013 1 626 106 106 VAL HB H 2.001 0.013 1 627 106 106 VAL C C 174.515 0.503 1 628 106 106 VAL CA C 63.513 0.503 1 629 106 106 VAL CB C 28.671 0.503 1 630 106 106 VAL CG1 C 19.775 0.503 1 631 106 106 VAL CG2 C 19.371 0.503 1 632 106 106 VAL N N 121.315 0.633 1 633 107 107 GLU H H 8.420 0.013 1 634 107 107 GLU HA H 3.833 0.013 1 635 107 107 GLU HB2 H 1.839 0.013 2 636 107 107 GLU C C 175.632 0.503 1 637 107 107 GLU CA C 57.089 0.503 1 638 107 107 GLU CB C 26.289 0.503 1 639 107 107 GLU N N 116.420 0.633 1 640 108 108 SER H H 7.356 0.013 1 641 108 108 SER C C 173.661 0.503 1 642 108 108 SER CA C 57.218 0.503 1 643 108 108 SER CB C 61.362 0.503 1 644 108 108 SER N N 112.721 0.633 1 645 109 109 LEU H H 7.636 0.013 1 646 109 109 LEU HA H 3.781 0.013 1 647 109 109 LEU HB2 H 1.165 0.013 2 648 109 109 LEU HB3 H 0.846 0.013 2 649 109 109 LEU C C 173.882 0.503 1 650 109 109 LEU CA C 52.260 0.503 1 651 109 109 LEU CB C 40.988 0.503 1 652 109 109 LEU N N 115.632 0.633 1 653 110 110 LYS H H 7.431 0.013 1 654 110 110 LYS HA H 3.530 0.013 1 655 110 110 LYS HB2 H 1.827 0.013 2 656 110 110 LYS HB3 H 1.652 0.013 2 657 110 110 LYS C C 175.436 0.503 1 658 110 110 LYS CA C 56.570 0.503 1 659 110 110 LYS CB C 29.094 0.503 1 660 110 110 LYS CD C 26.711 0.503 4 661 110 110 LYS CE C 39.370 0.503 1 662 110 110 LYS CG C 21.890 0.503 4 663 110 110 LYS N N 120.490 0.633 1 664 111 111 GLY H H 8.435 0.013 1 665 111 111 GLY C C 171.447 0.503 1 666 111 111 GLY CA C 42.892 0.503 1 667 111 111 GLY N N 113.391 0.633 1 668 112 112 LYS H H 8.493 0.013 1 669 112 112 LYS HA H 4.507 0.013 1 670 112 112 LYS HB2 H 2.006 0.013 2 671 112 112 LYS HB3 H 1.549 0.013 2 672 112 112 LYS C C 172.009 0.503 1 673 112 112 LYS CA C 51.322 0.503 1 674 112 112 LYS CB C 30.222 0.503 1 675 112 112 LYS CD C 25.474 0.503 4 676 112 112 LYS CE C 40.124 0.503 1 677 112 112 LYS CG C 23.103 0.503 4 678 112 112 LYS N N 119.915 0.633 1 679 113 113 ARG H H 9.433 0.013 1 680 113 113 ARG HA H 5.118 0.013 1 681 113 113 ARG HB2 H 1.705 0.013 2 682 113 113 ARG C C 173.204 0.503 1 683 113 113 ARG CA C 52.417 0.503 1 684 113 113 ARG CB C 30.727 0.503 1 685 113 113 ARG CD C 40.932 0.503 1 686 113 113 ARG N N 118.757 0.633 1 687 114 114 VAL H H 9.184 0.013 1 688 114 114 VAL HA H 4.646 0.013 1 689 114 114 VAL HB H 1.990 0.013 1 690 114 114 VAL C C 172.493 0.503 1 691 114 114 VAL CA C 57.740 0.503 1 692 114 114 VAL CB C 31.737 0.503 1 693 114 114 VAL CG1 C 19.033 0.503 1 694 114 114 VAL N N 125.551 0.633 1 695 115 115 GLY H H 9.348 0.013 1 696 115 115 GLY HA2 H 5.724 0.013 2 697 115 115 GLY HA3 H 3.329 0.013 2 698 115 115 GLY C C 169.519 0.503 1 699 115 115 GLY CA C 42.629 0.503 1 700 115 115 GLY N N 113.545 0.633 1 701 116 116 VAL H H 9.134 0.013 1 702 116 116 VAL C C 171.340 0.503 1 703 116 116 VAL CA C 55.909 0.503 1 704 116 116 VAL CB C 34.486 0.503 1 705 116 116 VAL N N 115.699 0.633 1 706 117 117 LEU H H 8.953 0.013 1 707 117 117 LEU C C 174.100 0.503 1 708 117 117 LEU CA C 51.152 0.503 1 709 117 117 LEU CB C 39.591 0.503 1 710 117 117 LEU N N 123.833 0.633 1 711 118 118 GLN H H 9.296 0.013 1 712 118 118 GLN HA H 4.101 0.013 1 713 118 118 GLN HB2 H 1.881 0.013 2 714 118 118 GLN C C 174.062 0.503 1 715 118 118 GLN CA C 54.467 0.503 1 716 118 118 GLN CB C 26.020 0.503 1 717 118 118 GLN CG C 30.740 0.503 1 718 118 118 GLN N N 127.445 0.633 1 719 119 119 GLY H H 9.377 0.013 1 720 119 119 GLY HA2 H 4.068 0.013 2 721 119 119 GLY HA3 H 3.726 0.013 2 722 119 119 GLY C C 172.383 0.503 1 723 119 119 GLY CA C 42.850 0.503 1 724 119 119 GLY N N 113.083 0.633 1 725 120 120 THR H H 7.201 0.013 1 726 120 120 THR C C 174.096 0.503 1 727 120 120 THR CA C 57.840 0.503 1 728 120 120 THR CB C 71.296 0.503 1 729 120 120 THR CG2 C 19.779 0.503 1 730 120 120 THR N N 107.670 0.633 1 731 121 121 THR H H 8.902 0.013 1 732 121 121 THR C C 175.336 0.503 1 733 121 121 THR CA C 61.781 0.503 1 734 121 121 THR CB C 65.483 0.503 1 735 121 121 THR CG2 C 20.688 0.503 1 736 121 121 THR N N 113.238 0.633 1 737 122 122 GLN H H 7.519 0.013 1 738 122 122 GLN HA H 3.810 0.013 1 739 122 122 GLN HB2 H 2.460 0.013 2 740 122 122 GLN C C 175.530 0.503 1 741 122 122 GLN CA C 59.464 0.503 1 742 122 122 GLN CB C 23.457 0.503 1 743 122 122 GLN N N 120.181 0.633 1 744 123 123 GLU H H 7.705 0.013 1 745 123 123 GLU HA H 3.806 0.013 1 746 123 123 GLU HB2 H 2.489 0.013 2 747 123 123 GLU HB3 H 2.007 0.013 2 748 123 123 GLU C C 174.878 0.503 1 749 123 123 GLU CA C 57.445 0.503 1 750 123 123 GLU CB C 26.889 0.503 1 751 123 123 GLU CG C 34.116 0.503 1 752 123 123 GLU N N 121.385 0.633 1 753 124 124 THR H H 8.150 0.013 1 754 124 124 THR CA C 56.676 0.503 1 755 124 124 THR CB C 65.085 0.503 1 756 124 124 THR N N 117.235 0.633 1 757 125 125 PHE H H 8.878 0.013 1 758 125 125 PHE HA H 3.528 0.013 1 759 125 125 PHE HB2 H 2.927 0.013 2 760 125 125 PHE C C 175.360 0.503 1 761 125 125 PHE CA C 59.467 0.503 1 762 125 125 PHE CB C 36.764 0.503 1 763 125 125 PHE N N 121.315 0.633 1 764 126 126 GLY H H 8.887 0.013 1 765 126 126 GLY C C 173.297 0.503 1 766 126 126 GLY CA C 44.388 0.503 1 767 126 126 GLY N N 106.602 0.633 1 768 127 127 ASN H H 8.925 0.013 1 769 127 127 ASN HA H 4.682 0.013 1 770 127 127 ASN HB2 H 2.839 0.013 2 771 127 127 ASN HB3 H 2.618 0.013 2 772 127 127 ASN C C 173.566 0.503 1 773 127 127 ASN CA C 53.041 0.503 1 774 127 127 ASN CB C 35.363 0.503 1 775 127 127 ASN N N 122.751 0.633 1 776 128 128 GLU H H 7.924 0.013 1 777 128 128 GLU HA H 3.944 0.013 1 778 128 128 GLU HB2 H 1.558 0.013 2 779 128 128 GLU HB3 H 1.234 0.013 2 780 128 128 GLU C C 175.132 0.503 1 781 128 128 GLU CA C 55.693 0.503 1 782 128 128 GLU CB C 27.545 0.503 1 783 128 128 GLU CG C 32.931 0.503 1 784 128 128 GLU N N 118.023 0.633 1 785 129 129 HIS H H 7.909 0.013 1 786 129 129 HIS HA H 4.280 0.013 1 787 129 129 HIS C C 172.861 0.503 1 788 129 129 HIS CA C 54.377 0.503 1 789 129 129 HIS CB C 27.858 0.503 1 790 129 129 HIS N N 111.582 0.633 1 791 130 130 TRP H H 7.668 0.013 1 792 130 130 TRP HA H 5.166 0.013 1 793 130 130 TRP HB2 H 3.556 0.013 2 794 130 130 TRP HB3 H 2.833 0.013 2 795 130 130 TRP C C 173.952 0.503 1 796 130 130 TRP CA C 53.153 0.503 1 797 130 130 TRP CB C 28.119 0.503 1 798 130 130 TRP N N 118.774 0.633 1 799 131 131 ALA H H 8.678 0.013 1 800 131 131 ALA C C 174.909 0.503 1 801 131 131 ALA N N 124.994 0.633 1 802 132 132 PRO HA H 4.531 0.013 1 803 132 132 PRO HB2 H 2.391 0.013 2 804 132 132 PRO HB3 H 1.618 0.013 2 805 132 132 PRO C C 174.433 0.503 1 806 132 132 PRO CA C 62.376 0.503 1 807 132 132 PRO CB C 28.963 0.503 1 808 132 132 PRO CD C 48.591 0.503 1 809 132 132 PRO CG C 25.340 0.503 1 810 133 133 LYS H H 7.631 0.013 1 811 133 133 LYS HA H 4.472 0.013 1 812 133 133 LYS HB2 H 2.192 0.013 2 813 133 133 LYS HB3 H 1.835 0.013 2 814 133 133 LYS C C 173.693 0.503 1 815 133 133 LYS CA C 51.056 0.503 1 816 133 133 LYS CB C 29.631 0.503 1 817 133 133 LYS CD C 25.843 0.503 4 818 133 133 LYS CE C 39.774 0.503 1 819 133 133 LYS CG C 22.129 0.503 4 820 133 133 LYS N N 115.066 0.633 1 821 134 134 GLY H H 7.854 0.013 1 822 134 134 GLY HA2 H 4.090 0.013 2 823 134 134 GLY HA3 H 3.724 0.013 2 824 134 134 GLY C C 171.539 0.503 1 825 134 134 GLY CA C 43.444 0.503 1 826 134 134 GLY N N 105.514 0.633 1 827 135 135 ILE H H 6.862 0.013 1 828 135 135 ILE HA H 3.952 0.013 1 829 135 135 ILE HB H 1.326 0.013 1 830 135 135 ILE C C 171.625 0.503 1 831 135 135 ILE CA C 58.085 0.503 1 832 135 135 ILE CB C 36.282 0.503 1 833 135 135 ILE N N 123.718 0.633 1 834 136 136 GLU H H 8.213 0.013 1 835 136 136 GLU HA H 4.249 0.013 1 836 136 136 GLU HB2 H 1.943 0.013 2 837 136 136 GLU HB3 H 1.875 0.013 2 838 136 136 GLU C C 171.214 0.503 1 839 136 136 GLU CA C 53.813 0.503 1 840 136 136 GLU CB C 27.686 0.503 1 841 136 136 GLU CG C 33.274 0.503 1 842 136 136 GLU N N 127.936 0.633 1 843 137 137 ILE H H 8.609 0.013 1 844 137 137 ILE HA H 4.844 0.013 1 845 137 137 ILE HB H 2.251 0.013 1 846 137 137 ILE C C 173.310 0.503 1 847 137 137 ILE CA C 54.657 0.503 1 848 137 137 ILE CB C 32.618 0.503 1 849 137 137 ILE N N 128.906 0.633 1 850 138 138 VAL H H 9.363 0.013 1 851 138 138 VAL HA H 4.087 0.013 1 852 138 138 VAL HB H 1.966 0.013 1 853 138 138 VAL C C 171.640 0.503 1 854 138 138 VAL CA C 58.801 0.503 1 855 138 138 VAL CB C 30.482 0.503 1 856 138 138 VAL CG1 C 17.925 0.503 1 857 138 138 VAL N N 132.386 0.633 1 858 139 139 SER H H 8.453 0.013 1 859 139 139 SER C C 172.237 0.503 1 860 139 139 SER CA C 55.286 0.503 1 861 139 139 SER CB C 61.293 0.503 1 862 139 139 SER N N 122.340 0.633 1 863 140 140 TYR H H 8.942 0.013 1 864 140 140 TYR C C 173.140 0.503 1 865 140 140 TYR CA C 54.822 0.503 1 866 140 140 TYR CB C 40.323 0.503 1 867 140 140 TYR N N 122.752 0.633 1 868 141 141 GLN H H 8.949 0.013 1 869 141 141 GLN C C 173.204 0.503 1 870 141 141 GLN CA C 54.113 0.503 1 871 141 141 GLN CB C 26.568 0.503 1 872 141 141 GLN CG C 31.594 0.503 1 873 141 141 GLN N N 118.944 0.633 1 874 142 142 GLY H H 7.506 0.013 1 875 142 142 GLY C C 170.736 0.503 1 876 142 142 GLY CA C 42.025 0.503 1 877 142 142 GLY N N 106.214 0.633 1 878 143 143 GLN C C 174.406 0.503 1 879 143 143 GLN CA C 55.703 0.503 1 880 143 143 GLN CB C 26.249 0.503 1 881 143 143 GLN CG C 31.135 0.503 1 882 144 144 ASP H H 8.719 0.013 1 883 144 144 ASP C C 176.154 0.503 1 884 144 144 ASP CA C 54.324 0.503 1 885 144 144 ASP CB C 36.681 0.503 1 886 144 144 ASP N N 117.380 0.633 1 887 145 145 ASN H H 7.488 0.013 1 888 145 145 ASN C C 173.909 0.503 1 889 145 145 ASN CA C 52.786 0.503 1 890 145 145 ASN CB C 36.456 0.503 1 891 145 145 ASN N N 116.895 0.633 1 892 146 146 ILE H H 6.781 0.013 1 893 146 146 ILE C C 174.541 0.503 1 894 146 146 ILE CA C 62.382 0.503 1 895 146 146 ILE CB C 34.124 0.503 1 896 146 146 ILE CG1 C 25.395 0.503 1 897 146 146 ILE N N 119.305 0.633 1 898 147 147 TYR H H 6.879 0.013 1 899 147 147 TYR C C 176.047 0.503 1 900 147 147 TYR CA C 57.419 0.503 1 901 147 147 TYR CB C 33.838 0.503 1 902 147 147 TYR N N 116.932 0.633 1 903 148 148 SER H H 8.159 0.013 1 904 148 148 SER C C 174.190 0.503 1 905 148 148 SER CA C 59.460 0.503 1 906 148 148 SER CB C 59.817 0.503 1 907 148 148 SER N N 116.410 0.633 1 908 149 149 ASP H H 7.511 0.013 1 909 149 149 ASP HA H 4.570 0.013 1 910 149 149 ASP HB2 H 2.760 0.013 2 911 149 149 ASP HB3 H 2.346 0.013 2 912 149 149 ASP C C 176.207 0.503 1 913 149 149 ASP CA C 54.212 0.503 1 914 149 149 ASP CB C 36.200 0.503 1 915 149 149 ASP N N 121.683 0.633 1 916 150 150 LEU H H 8.358 0.013 1 917 150 150 LEU HA H 4.084 0.013 1 918 150 150 LEU HB2 H 1.771 0.013 2 919 150 150 LEU HB3 H 1.042 0.013 2 920 150 150 LEU C C 177.466 0.503 1 921 150 150 LEU CA C 55.941 0.503 1 922 150 150 LEU CB C 40.015 0.503 1 923 150 150 LEU N N 123.511 0.633 1 924 151 151 THR H H 8.356 0.013 1 925 151 151 THR C C 173.947 0.503 1 926 151 151 THR CA C 61.628 0.503 1 927 151 151 THR CB C 66.492 0.503 1 928 151 151 THR CG2 C 18.923 0.503 1 929 151 151 THR N N 111.223 0.633 1 930 152 152 ALA H H 7.424 0.013 1 931 152 152 ALA HA H 4.504 0.013 1 932 152 152 ALA HB H 1.510 0.013 1 933 152 152 ALA C C 175.379 0.503 1 934 152 152 ALA CA C 49.314 0.503 1 935 152 152 ALA CB C 17.018 0.503 1 936 152 152 ALA N N 121.291 0.633 1 937 153 153 GLY H H 7.907 0.013 1 938 153 153 GLY C C 172.400 0.503 1 939 153 153 GLY CA C 42.959 0.503 1 940 153 153 GLY N N 107.195 0.633 1 941 154 154 ARG H H 8.418 0.013 1 942 154 154 ARG HA H 4.142 0.013 1 943 154 154 ARG HB2 H 1.880 0.013 2 944 154 154 ARG HB3 H 1.452 0.013 2 945 154 154 ARG C C 173.856 0.503 1 946 154 154 ARG CA C 54.957 0.503 1 947 154 154 ARG CB C 28.616 0.503 1 948 154 154 ARG CD C 40.305 0.503 1 949 154 154 ARG N N 118.403 0.633 1 950 155 155 ILE H H 7.104 0.013 1 951 155 155 ILE HA H 4.351 0.013 1 952 155 155 ILE HB H 1.884 0.013 1 953 155 155 ILE C C 170.945 0.503 1 954 155 155 ILE CA C 57.548 0.503 1 955 155 155 ILE CB C 38.255 0.503 1 956 155 155 ILE N N 108.254 0.633 1 957 156 156 ASP H H 8.714 0.013 1 958 156 156 ASP HA H 4.621 0.013 1 959 156 156 ASP HB2 H 2.589 0.013 2 960 156 156 ASP HB3 H 2.395 0.013 2 961 156 156 ASP C C 171.936 0.503 1 962 156 156 ASP CA C 53.517 0.503 1 963 156 156 ASP CB C 41.632 0.503 1 964 156 156 ASP N N 118.536 0.633 1 965 157 157 ALA H H 7.688 0.013 1 966 157 157 ALA HA H 5.150 0.013 1 967 157 157 ALA HB H 1.136 0.013 1 968 157 157 ALA C C 172.184 0.503 1 969 157 157 ALA CA C 47.799 0.503 1 970 157 157 ALA CB C 21.175 0.503 1 971 157 157 ALA N N 115.926 0.633 1 972 158 158 ALA H H 8.882 0.013 1 973 158 158 ALA HA H 4.990 0.013 1 974 158 158 ALA HB H 0.992 0.013 1 975 158 158 ALA C C 172.763 0.503 1 976 158 158 ALA CA C 47.256 0.503 1 977 158 158 ALA CB C 19.259 0.503 1 978 158 158 ALA N N 122.802 0.633 1 979 159 159 PHE H H 8.941 0.013 1 980 159 159 PHE HA H 5.457 0.013 1 981 159 159 PHE HB2 H 3.189 0.013 2 982 159 159 PHE HB3 H 2.702 0.013 2 983 159 159 PHE C C 170.228 0.503 1 984 159 159 PHE CA C 52.149 0.503 1 985 159 159 PHE CB C 37.357 0.503 1 986 159 159 PHE N N 124.468 0.633 1 987 160 160 GLN H H 7.895 0.013 1 988 160 160 GLN C C 170.580 0.503 1 989 160 160 GLN CA C 51.238 0.503 1 990 160 160 GLN CB C 32.625 0.503 1 991 160 160 GLN N N 124.183 0.633 1 992 161 161 ASP H H 8.263 0.013 1 993 161 161 ASP HA H 4.141 0.013 1 994 161 161 ASP HB2 H 2.470 0.013 2 995 161 161 ASP C C 173.094 0.503 1 996 161 161 ASP CA C 53.164 0.503 1 997 161 161 ASP CB C 40.060 0.503 1 998 161 161 ASP N N 121.720 0.633 1 999 162 162 GLU H H 8.576 0.013 1 1000 162 162 GLU C C 174.868 0.503 1 1001 162 162 GLU CA C 58.024 0.503 1 1002 162 162 GLU CB C 28.083 0.503 1 1003 162 162 GLU CG C 32.852 0.503 1 1004 162 162 GLU N N 127.873 0.633 1 1005 163 163 VAL H H 8.697 0.013 1 1006 163 163 VAL C C 175.492 0.503 1 1007 163 163 VAL CA C 64.719 0.503 1 1008 163 163 VAL CB C 28.181 0.503 1 1009 163 163 VAL CG1 C 21.531 0.503 1 1010 163 163 VAL CG2 C 19.249 0.503 1 1011 163 163 VAL N N 119.474 0.633 1 1012 164 164 ALA H H 8.612 0.013 1 1013 164 164 ALA HA H 4.148 0.013 1 1014 164 164 ALA HB H 1.496 0.013 1 1015 164 164 ALA C C 179.688 0.503 1 1016 164 164 ALA CA C 52.772 0.503 1 1017 164 164 ALA CB C 15.987 0.503 1 1018 164 164 ALA N N 122.703 0.633 1 1019 165 165 ALA H H 8.323 0.013 1 1020 165 165 ALA HA H 4.134 0.013 1 1021 165 165 ALA HB H 1.466 0.013 1 1022 165 165 ALA C C 177.041 0.503 1 1023 165 165 ALA CA C 51.807 0.503 1 1024 165 165 ALA CB C 16.829 0.503 1 1025 165 165 ALA N N 120.598 0.633 1 1026 166 166 SER H H 8.038 0.013 1 1027 166 166 SER C C 172.915 0.503 1 1028 166 166 SER CA C 58.890 0.503 1 1029 166 166 SER CB C 60.684 0.503 1 1030 166 166 SER N N 112.766 0.633 1 1031 167 167 GLU H H 8.779 0.013 1 1032 167 167 GLU HA H 3.903 0.013 1 1033 167 167 GLU HB2 H 1.990 0.013 2 1034 167 167 GLU C C 175.935 0.503 1 1035 167 167 GLU CA C 55.203 0.503 1 1036 167 167 GLU CB C 27.916 0.503 1 1037 167 167 GLU CG C 33.536 0.503 1 1038 167 167 GLU N N 115.017 0.633 1 1039 168 168 GLY H H 8.137 0.013 1 1040 168 168 GLY HA2 H 4.135 0.013 2 1041 168 168 GLY HA3 H 3.714 0.013 2 1042 168 168 GLY C C 170.891 0.503 1 1043 168 168 GLY CA C 42.575 0.503 1 1044 168 168 GLY N N 102.875 0.633 1 1045 169 169 PHE H H 7.281 0.013 1 1046 169 169 PHE C C 172.438 0.503 1 1047 169 169 PHE CA C 58.542 0.503 1 1048 169 169 PHE CB C 38.685 0.503 1 1049 169 169 PHE N N 119.368 0.633 1 1050 170 170 LEU H H 8.444 0.013 1 1051 170 170 LEU HA H 3.530 0.013 1 1052 170 170 LEU HB2 H 1.496 0.013 2 1053 170 170 LEU C C 176.177 0.503 1 1054 170 170 LEU CA C 55.510 0.503 1 1055 170 170 LEU CB C 38.265 0.503 1 1056 170 170 LEU N N 117.356 0.633 1 1057 171 171 LYS H H 7.997 0.013 1 1058 171 171 LYS HA H 4.075 0.013 1 1059 171 171 LYS HB2 H 1.839 0.013 2 1060 171 171 LYS HB3 H 1.553 0.013 2 1061 171 171 LYS C C 174.144 0.503 1 1062 171 171 LYS CA C 54.103 0.503 1 1063 171 171 LYS CB C 30.009 0.503 1 1064 171 171 LYS CD C 27.014 0.503 4 1065 171 171 LYS CE C 39.141 0.503 1 1066 171 171 LYS CG C 23.227 0.503 4 1067 171 171 LYS N N 114.111 0.633 1 1068 172 172 GLN H H 7.136 0.013 1 1069 172 172 GLN HA H 4.474 0.013 1 1070 172 172 GLN C C 173.280 0.503 1 1071 172 172 GLN CA C 50.016 0.503 1 1072 172 172 GLN CB C 24.775 0.503 1 1073 172 172 GLN N N 118.214 0.633 1 1074 173 173 PRO C C 176.474 0.503 1 1075 174 174 VAL H H 7.428 0.013 1 1076 174 174 VAL HA H 3.856 0.013 1 1077 174 174 VAL HB H 2.070 0.013 1 1078 174 174 VAL C C 173.120 0.503 1 1079 174 174 VAL CA C 60.414 0.503 1 1080 174 174 VAL CB C 28.698 0.503 1 1081 174 174 VAL CG1 C 17.749 0.503 1 1082 174 174 VAL N N 111.711 0.633 1 1083 175 175 GLY H H 7.177 0.013 1 1084 175 175 GLY HA2 H 3.018 0.013 2 1085 175 175 GLY HA3 H 2.883 0.013 2 1086 175 175 GLY C C 172.224 0.503 1 1087 175 175 GLY CA C 41.816 0.503 1 1088 175 175 GLY N N 109.086 0.633 1 1089 176 176 LYS H H 6.956 0.013 1 1090 176 176 LYS HA H 4.058 0.013 1 1091 176 176 LYS HB2 H 1.780 0.013 2 1092 176 176 LYS HB3 H 1.714 0.013 2 1093 176 176 LYS C C 174.364 0.503 1 1094 176 176 LYS CA C 55.997 0.503 1 1095 176 176 LYS CB C 29.476 0.503 1 1096 176 176 LYS CD C 26.437 0.503 4 1097 176 176 LYS CE C 39.356 0.503 1 1098 176 176 LYS CG C 21.027 0.503 4 1099 176 176 LYS N N 120.137 0.633 1 1100 177 177 ASP H H 7.980 0.013 1 1101 177 177 ASP HA H 4.784 0.013 1 1102 177 177 ASP HB2 H 2.687 0.013 2 1103 177 177 ASP HB3 H 2.304 0.013 2 1104 177 177 ASP C C 171.148 0.503 1 1105 177 177 ASP CA C 51.448 0.503 1 1106 177 177 ASP CB C 37.489 0.503 1 1107 177 177 ASP N N 116.710 0.633 1 1108 178 178 TYR H H 7.747 0.013 1 1109 178 178 TYR HA H 4.592 0.013 1 1110 178 178 TYR HB2 H 2.872 0.013 2 1111 178 178 TYR HB3 H 2.579 0.013 2 1112 178 178 TYR C C 169.554 0.503 1 1113 178 178 TYR CA C 55.492 0.503 1 1114 178 178 TYR CB C 39.863 0.503 1 1115 178 178 TYR N N 119.862 0.633 1 1116 179 179 LYS H H 9.473 0.013 1 1117 179 179 LYS C C 172.155 0.503 1 1118 179 179 LYS CA C 51.872 0.503 1 1119 179 179 LYS CB C 33.823 0.503 1 1120 179 179 LYS N N 116.348 0.633 1 1121 180 180 PHE H H 8.443 0.013 1 1122 180 180 PHE HA H 5.762 0.013 1 1123 180 180 PHE HB2 H 2.764 0.013 2 1124 180 180 PHE C C 175.043 0.503 1 1125 180 180 PHE CA C 54.387 0.503 1 1126 180 180 PHE CB C 36.259 0.503 1 1127 180 180 PHE N N 117.325 0.633 1 1128 181 181 GLY H H 9.081 0.013 1 1129 181 181 GLY HA2 H 4.459 0.013 2 1130 181 181 GLY HA3 H 2.870 0.013 2 1131 181 181 GLY C C 170.462 0.503 1 1132 181 181 GLY CA C 44.623 0.503 1 1133 181 181 GLY N N 113.107 0.633 1 1134 182 182 GLY H H 7.706 0.013 1 1135 182 182 GLY C C 168.349 0.503 1 1136 182 182 GLY CA C 42.204 0.503 1 1137 182 182 GLY N N 110.439 0.633 1 1138 183 183 PRO HA H 4.439 0.013 1 1139 183 183 PRO HB2 H 2.213 0.013 2 1140 183 183 PRO HB3 H 2.144 0.013 2 1141 183 183 PRO C C 172.683 0.503 1 1142 183 183 PRO CA C 59.509 0.503 1 1143 183 183 PRO CB C 30.738 0.503 1 1144 183 183 PRO CD C 47.290 0.503 1 1145 183 183 PRO CG C 23.906 0.503 1 1146 184 184 SER H H 8.413 0.013 1 1147 184 184 SER C C 170.695 0.503 1 1148 184 184 SER CA C 55.645 0.503 1 1149 184 184 SER CB C 60.834 0.503 1 1150 184 184 SER N N 112.890 0.633 1 1151 185 185 VAL H H 9.027 0.013 1 1152 185 185 VAL HA H 3.924 0.013 1 1153 185 185 VAL HB H 1.530 0.013 1 1154 185 185 VAL C C 171.147 0.503 1 1155 185 185 VAL CA C 59.514 0.503 1 1156 185 185 VAL CB C 30.701 0.503 1 1157 185 185 VAL CG1 C 19.478 0.503 1 1158 185 185 VAL CG2 C 19.135 0.503 1 1159 185 185 VAL N N 122.707 0.633 1 1160 186 186 LYS H H 8.094 0.013 1 1161 186 186 LYS HA H 4.487 0.013 1 1162 186 186 LYS HB2 H 1.721 0.013 2 1163 186 186 LYS HB3 H 1.565 0.013 2 1164 186 186 LYS C C 173.949 0.503 1 1165 186 186 LYS CA C 52.378 0.503 1 1166 186 186 LYS CB C 32.018 0.503 1 1167 186 186 LYS CD C 26.665 0.503 4 1168 186 186 LYS CE C 39.607 0.503 1 1169 186 186 LYS CG C 22.548 0.503 4 1170 186 186 LYS N N 124.781 0.633 1 1171 187 187 ASP H H 8.783 0.013 1 1172 187 187 ASP HA H 4.353 0.013 1 1173 187 187 ASP HB2 H 2.461 0.013 2 1174 187 187 ASP HB3 H 1.921 0.013 2 1175 187 187 ASP C C 172.527 0.503 1 1176 187 187 ASP CA C 53.049 0.503 1 1177 187 187 ASP CB C 40.426 0.503 1 1178 187 187 ASP N N 119.788 0.633 1 1179 188 188 GLU H H 9.242 0.013 1 1180 188 188 GLU HA H 3.694 0.013 1 1181 188 188 GLU HB2 H 1.864 0.013 2 1182 188 188 GLU C C 174.566 0.503 1 1183 188 188 GLU CA C 57.107 0.503 1 1184 188 188 GLU CB C 26.550 0.503 1 1185 188 188 GLU CG C 33.748 0.503 1 1186 188 188 GLU N N 128.506 0.633 1 1187 189 189 LYS H H 7.896 0.013 1 1188 189 189 LYS HA H 4.070 0.013 1 1189 189 189 LYS HB2 H 1.782 0.013 2 1190 189 189 LYS C C 175.313 0.503 1 1191 189 189 LYS CA C 55.778 0.503 1 1192 189 189 LYS CB C 29.933 0.503 1 1193 189 189 LYS CD C 26.427 0.503 4 1194 189 189 LYS CE C 39.270 0.503 1 1195 189 189 LYS CG C 22.451 0.503 4 1196 189 189 LYS N N 117.436 0.633 1 1197 190 190 LEU H H 8.264 0.013 1 1198 190 190 LEU HA H 4.234 0.013 1 1199 190 190 LEU C C 174.860 0.503 1 1200 190 190 LEU CA C 53.471 0.503 1 1201 190 190 LEU CB C 40.720 0.503 1 1202 190 190 LEU N N 117.614 0.633 1 1203 191 191 PHE H H 8.010 0.013 1 1204 191 191 PHE HA H 5.053 0.013 1 1205 191 191 PHE HB2 H 3.632 0.013 2 1206 191 191 PHE HB3 H 3.410 0.013 2 1207 191 191 PHE C C 175.434 0.503 1 1208 191 191 PHE CA C 52.417 0.503 1 1209 191 191 PHE CB C 35.316 0.503 1 1210 191 191 PHE N N 116.179 0.633 1 1211 192 192 GLY H H 7.474 0.013 1 1212 192 192 GLY HA2 H 4.291 0.013 2 1213 192 192 GLY HA3 H 4.033 0.013 2 1214 192 192 GLY C C 171.476 0.503 1 1215 192 192 GLY CA C 41.798 0.503 1 1216 192 192 GLY N N 106.140 0.633 1 1217 193 193 VAL H H 8.018 0.013 1 1218 193 193 VAL HA H 4.334 0.013 1 1219 193 193 VAL HB H 2.177 0.013 1 1220 193 193 VAL C C 172.458 0.503 1 1221 193 193 VAL CA C 58.451 0.503 1 1222 193 193 VAL CB C 28.758 0.503 1 1223 193 193 VAL CG1 C 18.716 0.503 1 1224 193 193 VAL CG2 C 16.347 0.503 1 1225 193 193 VAL N N 111.767 0.633 1 1226 194 194 GLY H H 7.732 0.013 1 1227 194 194 GLY HA2 H 4.464 0.013 2 1228 194 194 GLY HA3 H 3.506 0.013 2 1229 194 194 GLY C C 169.499 0.503 1 1230 194 194 GLY CA C 40.973 0.503 1 1231 194 194 GLY N N 107.412 0.633 1 1232 195 195 THR H H 7.798 0.013 1 1233 195 195 THR C C 170.078 0.503 1 1234 195 195 THR CA C 56.691 0.503 1 1235 195 195 THR CB C 68.850 0.503 1 1236 195 195 THR CG2 C 18.535 0.503 1 1237 195 195 THR N N 108.696 0.633 1 1238 196 196 GLY H H 7.913 0.013 1 1239 196 196 GLY C C 169.121 0.503 1 1240 196 196 GLY CA C 41.632 0.503 1 1241 196 196 GLY N N 103.501 0.633 1 1242 197 197 MET H H 7.944 0.013 1 1243 197 197 MET HA H 4.938 0.013 1 1244 197 197 MET HB2 H 1.935 0.013 2 1245 197 197 MET C C 173.478 0.503 1 1246 197 197 MET CA C 52.995 0.503 1 1247 197 197 MET CB C 31.550 0.503 1 1248 197 197 MET CG C 29.537 0.503 1 1249 197 197 MET N N 120.719 0.633 1 1250 198 198 GLY H H 8.781 0.013 1 1251 198 198 GLY HA2 H 4.318 0.013 2 1252 198 198 GLY HA3 H 2.524 0.013 2 1253 198 198 GLY C C 169.264 0.503 1 1254 198 198 GLY CA C 42.230 0.503 1 1255 198 198 GLY N N 111.518 0.633 1 1256 199 199 LEU H H 8.752 0.013 1 1257 199 199 LEU HA H 4.570 0.013 1 1258 199 199 LEU HB2 H 1.755 0.013 2 1259 199 199 LEU HB3 H 1.056 0.013 2 1260 199 199 LEU C C 173.137 0.503 1 1261 199 199 LEU CA C 51.440 0.503 1 1262 199 199 LEU CB C 44.273 0.503 1 1263 199 199 LEU N N 124.015 0.633 1 1264 200 200 ARG H H 10.235 0.013 1 1265 200 200 ARG HA H 4.285 0.013 1 1266 200 200 ARG C C 177.590 0.503 1 1267 200 200 ARG CA C 54.838 0.503 1 1268 200 200 ARG CB C 28.151 0.503 1 1269 200 200 ARG CD C 40.136 0.503 1 1270 200 200 ARG N N 121.095 0.633 1 1271 201 201 LYS H H 9.193 0.013 1 1272 201 201 LYS HA H 3.628 0.013 1 1273 201 201 LYS HB2 H 1.676 0.013 2 1274 201 201 LYS C C 175.449 0.503 1 1275 201 201 LYS CA C 57.340 0.503 1 1276 201 201 LYS CB C 29.997 0.503 1 1277 201 201 LYS CD C 26.596 0.503 4 1278 201 201 LYS CE C 39.599 0.503 1 1279 201 201 LYS CG C 24.162 0.503 4 1280 201 201 LYS N N 122.655 0.633 1 1281 202 202 GLU H H 8.988 0.013 1 1282 202 202 GLU HA H 4.197 0.013 1 1283 202 202 GLU HB2 H 2.024 0.013 2 1284 202 202 GLU C C 174.984 0.503 1 1285 202 202 GLU CA C 54.895 0.503 1 1286 202 202 GLU CB C 25.878 0.503 1 1287 202 202 GLU CG C 33.029 0.503 1 1288 202 202 GLU N N 113.363 0.633 1 1289 203 203 ASP H H 7.280 0.013 1 1290 203 203 ASP HA H 5.089 0.013 1 1291 203 203 ASP HB2 H 2.956 0.013 2 1292 203 203 ASP HB3 H 2.568 0.013 2 1293 203 203 ASP C C 174.216 0.503 1 1294 203 203 ASP CA C 51.256 0.503 1 1295 203 203 ASP CB C 35.370 0.503 1 1296 203 203 ASP N N 125.632 0.633 1 1297 204 204 ASN H H 7.788 0.013 1 1298 204 204 ASN HA H 4.220 0.013 1 1299 204 204 ASN HB2 H 2.653 0.013 2 1300 204 204 ASN C C 173.981 0.503 1 1301 204 204 ASN CA C 54.498 0.503 1 1302 204 204 ASN CB C 36.655 0.503 1 1303 204 204 ASN N N 119.693 0.633 1 1304 205 205 GLU H H 8.489 0.013 1 1305 205 205 GLU C C 176.851 0.503 1 1306 205 205 GLU CA C 57.116 0.503 1 1307 205 205 GLU CB C 26.471 0.503 1 1308 205 205 GLU N N 120.596 0.633 1 1309 206 206 LEU H H 8.247 0.013 1 1310 206 206 LEU C C 174.254 0.503 1 1311 206 206 LEU CA C 55.101 0.503 1 1312 206 206 LEU CB C 39.251 0.503 1 1313 206 206 LEU N N 121.717 0.633 1 1314 207 207 ARG H H 7.677 0.013 1 1315 207 207 ARG HA H 3.496 0.013 1 1316 207 207 ARG HB2 H 2.029 0.013 2 1317 207 207 ARG HB3 H 1.526 0.013 2 1318 207 207 ARG C C 174.640 0.503 1 1319 207 207 ARG CA C 57.784 0.503 1 1320 207 207 ARG CB C 28.496 0.503 1 1321 207 207 ARG CD C 39.973 0.503 1 1322 207 207 ARG N N 118.657 0.633 1 1323 208 208 GLU H H 8.432 0.013 1 1324 208 208 GLU HA H 3.981 0.013 1 1325 208 208 GLU HB2 H 1.977 0.013 2 1326 208 208 GLU C C 176.977 0.503 1 1327 208 208 GLU CA C 56.942 0.503 1 1328 208 208 GLU CB C 26.701 0.503 1 1329 208 208 GLU N N 115.471 0.633 1 1330 209 209 ALA H H 8.046 0.013 1 1331 209 209 ALA HA H 4.140 0.013 1 1332 209 209 ALA HB H 1.474 0.013 1 1333 209 209 ALA C C 178.437 0.503 1 1334 209 209 ALA CA C 52.528 0.503 1 1335 209 209 ALA CB C 15.265 0.503 1 1336 209 209 ALA N N 122.905 0.633 1 1337 210 210 LEU H H 8.357 0.013 1 1338 210 210 LEU C C 175.624 0.503 1 1339 210 210 LEU CA C 55.322 0.503 1 1340 210 210 LEU CB C 39.819 0.503 1 1341 210 210 LEU N N 120.549 0.633 1 1342 211 211 ASN H H 8.392 0.013 1 1343 211 211 ASN HB2 H 2.857 0.013 2 1344 211 211 ASN HB3 H 2.693 0.013 2 1345 211 211 ASN C C 176.949 0.503 1 1346 211 211 ASN CA C 52.966 0.503 1 1347 211 211 ASN CB C 34.996 0.503 1 1348 211 211 ASN N N 118.534 0.633 1 1349 212 212 LYS H H 8.036 0.013 1 1350 212 212 LYS HA H 4.105 0.013 1 1351 212 212 LYS HB2 H 1.889 0.013 2 1352 212 212 LYS C C 175.569 0.503 1 1353 212 212 LYS CA C 56.915 0.503 1 1354 212 212 LYS CB C 29.954 0.503 1 1355 212 212 LYS CD C 26.797 0.503 4 1356 212 212 LYS CE C 39.453 0.503 1 1357 212 212 LYS CG C 22.135 0.503 4 1358 212 212 LYS N N 123.217 0.633 1 1359 213 213 ALA H H 7.939 0.013 1 1360 213 213 ALA HA H 4.193 0.013 1 1361 213 213 ALA HB H 1.413 0.013 1 1362 213 213 ALA C C 176.702 0.503 1 1363 213 213 ALA CA C 51.817 0.503 1 1364 213 213 ALA CB C 16.829 0.503 1 1365 213 213 ALA N N 121.607 0.633 1 1366 214 214 PHE H H 8.912 0.013 1 1367 214 214 PHE C C 174.417 0.503 1 1368 214 214 PHE CA C 59.049 0.503 1 1369 214 214 PHE CB C 35.995 0.503 1 1370 214 214 PHE N N 118.868 0.633 1 1371 215 215 ALA H H 7.931 0.013 1 1372 215 215 ALA HA H 3.756 0.013 1 1373 215 215 ALA HB H 1.510 0.013 1 1374 215 215 ALA C C 179.334 0.503 1 1375 215 215 ALA CA C 52.619 0.503 1 1376 215 215 ALA CB C 14.724 0.503 1 1377 215 215 ALA N N 120.757 0.633 1 1378 216 216 GLU H H 7.923 0.013 1 1379 216 216 GLU HA H 3.930 0.013 1 1380 216 216 GLU HB2 H 2.245 0.013 2 1381 216 216 GLU HB3 H 1.933 0.013 2 1382 216 216 GLU C C 175.800 0.503 1 1383 216 216 GLU CA C 56.798 0.503 1 1384 216 216 GLU CB C 26.442 0.503 1 1385 216 216 GLU CG C 34.084 0.503 1 1386 216 216 GLU N N 119.438 0.633 1 1387 217 217 MET H H 8.178 0.013 1 1388 217 217 MET HA H 4.227 0.013 1 1389 217 217 MET HB2 H 2.119 0.013 2 1390 217 217 MET C C 176.276 0.503 1 1391 217 217 MET CA C 55.125 0.503 1 1392 217 217 MET CB C 30.799 0.503 1 1393 217 217 MET CG C 28.220 0.503 1 1394 217 217 MET N N 120.323 0.633 1 1395 218 218 ARG H H 7.748 0.013 1 1396 218 218 ARG C C 176.514 0.503 1 1397 218 218 ARG CA C 56.393 0.503 1 1398 218 218 ARG CB C 25.665 0.503 1 1399 218 218 ARG CG C 24.634 0.503 1 1400 218 218 ARG N N 118.706 0.633 1 1401 219 219 ALA H H 7.807 0.013 1 1402 219 219 ALA HA H 4.073 0.013 1 1403 219 219 ALA HB H 1.398 0.013 1 1404 219 219 ALA C C 176.636 0.503 1 1405 219 219 ALA CA C 51.832 0.503 1 1406 219 219 ALA CB C 16.158 0.503 1 1407 219 219 ALA N N 121.970 0.633 1 1408 220 220 ASP H H 8.086 0.013 1 1409 220 220 ASP HA H 4.579 0.013 1 1410 220 220 ASP HB2 H 3.148 0.013 2 1411 220 220 ASP HB3 H 2.621 0.013 2 1412 220 220 ASP C C 175.113 0.503 1 1413 220 220 ASP CA C 50.647 0.503 1 1414 220 220 ASP CB C 37.311 0.503 1 1415 220 220 ASP N N 114.532 0.633 1 1416 221 221 GLY H H 7.193 0.013 1 1417 221 221 GLY HA2 H 4.384 0.013 2 1418 221 221 GLY HA3 H 3.989 0.013 2 1419 221 221 GLY C C 173.237 0.503 1 1420 221 221 GLY CA C 42.666 0.503 1 1421 221 221 GLY N N 106.068 0.633 1 1422 222 222 THR H H 9.079 0.013 1 1423 222 222 THR C C 172.969 0.503 1 1424 222 222 THR CA C 64.715 0.503 1 1425 222 222 THR CB C 65.266 0.503 1 1426 222 222 THR CG2 C 18.181 0.503 1 1427 222 222 THR N N 121.685 0.633 1 1428 223 223 TYR H H 8.026 0.013 1 1429 223 223 TYR HA H 3.726 0.013 1 1430 223 223 TYR HB2 H 3.284 0.013 2 1431 223 223 TYR HB3 H 2.313 0.013 2 1432 223 223 TYR C C 173.227 0.503 1 1433 223 223 TYR CA C 60.309 0.503 1 1434 223 223 TYR CB C 36.364 0.503 1 1435 223 223 TYR N N 120.843 0.633 1 1436 224 224 GLU H H 8.130 0.013 1 1437 224 224 GLU C C 175.343 0.503 1 1438 224 224 GLU CA C 56.645 0.503 1 1439 224 224 GLU CB C 26.940 0.503 1 1440 224 224 GLU N N 117.636 0.633 1 1441 225 225 LYS HA H 3.877 0.013 1 1442 225 225 LYS HB2 H 1.915 0.013 2 1443 225 225 LYS C C 176.705 0.503 1 1444 225 225 LYS CA C 57.212 0.503 1 1445 225 225 LYS CB C 29.721 0.503 1 1446 225 225 LYS CD C 22.595 0.503 4 1447 225 225 LYS CE C 39.329 0.503 1 1448 225 225 LYS CG C 26.651 0.503 4 1449 226 226 LEU H H 8.032 0.013 1 1450 226 226 LEU HA H 4.174 0.013 1 1451 226 226 LEU HB2 H 2.066 0.013 2 1452 226 226 LEU HB3 H 1.497 0.013 2 1453 226 226 LEU C C 176.497 0.503 1 1454 226 226 LEU CA C 54.636 0.503 1 1455 226 226 LEU CB C 39.799 0.503 1 1456 226 226 LEU N N 118.490 0.633 1 1457 227 227 ALA H H 8.877 0.013 1 1458 227 227 ALA HA H 3.763 0.013 1 1459 227 227 ALA HB H 1.338 0.013 1 1460 227 227 ALA C C 177.774 0.503 1 1461 227 227 ALA CA C 52.727 0.503 1 1462 227 227 ALA CB C 15.582 0.503 1 1463 227 227 ALA N N 120.703 0.633 1 1464 228 228 LYS H H 8.057 0.013 1 1465 228 228 LYS HA H 4.275 0.013 1 1466 228 228 LYS HB2 H 1.849 0.013 2 1467 228 228 LYS HB3 H 1.776 0.013 2 1468 228 228 LYS C C 174.946 0.503 1 1469 228 228 LYS CA C 55.132 0.503 1 1470 228 228 LYS CB C 29.484 0.503 1 1471 228 228 LYS CD C 22.678 0.503 4 1472 228 228 LYS CE C 39.383 0.503 1 1473 228 228 LYS CG C 26.163 0.503 4 1474 228 228 LYS N N 116.547 0.633 1 1475 229 229 LYS H H 7.049 0.013 1 1476 229 229 LYS HA H 3.661 0.013 1 1477 229 229 LYS HB2 H 1.446 0.013 2 1478 229 229 LYS HB3 H 1.181 0.013 2 1479 229 229 LYS C C 174.069 0.503 1 1480 229 229 LYS CA C 55.687 0.503 1 1481 229 229 LYS CB C 29.280 0.503 1 1482 229 229 LYS CD C 26.945 0.503 4 1483 229 229 LYS CE C 39.176 0.503 1 1484 229 229 LYS CG C 21.842 0.503 4 1485 229 229 LYS N N 117.080 0.633 1 1486 230 230 TYR H H 6.992 0.013 1 1487 230 230 TYR HA H 3.830 0.013 1 1488 230 230 TYR C C 172.370 0.503 1 1489 230 230 TYR CA C 55.907 0.503 1 1490 230 230 TYR CB C 37.358 0.503 1 1491 230 230 TYR N N 113.435 0.633 1 1492 231 231 PHE H H 8.021 0.013 1 1493 231 231 PHE HA H 4.842 0.013 1 1494 231 231 PHE HB2 H 2.228 0.013 2 1495 231 231 PHE HB3 H 2.038 0.013 2 1496 231 231 PHE C C 173.051 0.503 1 1497 231 231 PHE CA C 52.607 0.503 1 1498 231 231 PHE CB C 39.255 0.503 1 1499 231 231 PHE N N 115.759 0.633 1 1500 232 232 ASP H H 8.827 0.013 1 1501 232 232 ASP HA H 4.798 0.013 1 1502 232 232 ASP HB2 H 2.707 0.013 2 1503 232 232 ASP C C 171.790 0.503 1 1504 232 232 ASP CA C 50.111 0.503 1 1505 232 232 ASP CB C 37.696 0.503 1 1506 232 232 ASP N N 122.345 0.633 1 1507 233 233 PHE H H 6.788 0.013 1 1508 233 233 PHE HA H 4.868 0.013 1 1509 233 233 PHE HB2 H 3.068 0.013 2 1510 233 233 PHE C C 170.884 0.503 1 1511 233 233 PHE CA C 51.549 0.503 1 1512 233 233 PHE CB C 37.617 0.503 1 1513 233 233 PHE N N 114.895 0.633 1 1514 234 234 ASP H H 8.775 0.013 1 1515 234 234 ASP HA H 4.655 0.013 1 1516 234 234 ASP HB2 H 2.967 0.013 2 1517 234 234 ASP HB3 H 2.639 0.013 2 1518 234 234 ASP C C 173.107 0.503 1 1519 234 234 ASP CA C 50.787 0.503 1 1520 234 234 ASP CB C 37.060 0.503 1 1521 234 234 ASP N N 119.108 0.633 1 1522 235 235 VAL H H 7.366 0.013 1 1523 235 235 VAL HA H 3.786 0.013 1 1524 235 235 VAL HB H 0.754 0.013 1 1525 235 235 VAL C C 172.335 0.503 1 1526 235 235 VAL CA C 59.442 0.503 1 1527 235 235 VAL CB C 30.582 0.503 1 1528 235 235 VAL CG1 C 17.256 0.503 1 1529 235 235 VAL CG2 C 16.301 0.503 1 1530 235 235 VAL N N 129.232 0.633 1 1531 236 236 TYR H H 8.272 0.013 1 1532 236 236 TYR HA H 4.173 0.013 1 1533 236 236 TYR HB2 H 3.368 0.013 2 1534 236 236 TYR HB3 H 3.100 0.013 2 1535 236 236 TYR C C 173.711 0.503 1 1536 236 236 TYR CA C 59.517 0.503 1 1537 236 236 TYR CB C 35.981 0.503 1 1538 236 236 TYR N N 122.961 0.633 1 1539 237 237 GLY H H 7.457 0.013 1 1540 237 237 GLY HA2 H 3.725 0.013 2 1541 237 237 GLY C C 171.790 0.503 1 1542 237 237 GLY CA C 43.530 0.503 1 1543 237 237 GLY N N 103.615 0.633 1 1544 238 238 GLY H H 8.003 0.013 1 1545 238 238 GLY HA2 H 3.719 0.013 2 1546 238 238 GLY C C 176.389 0.503 1 1547 238 238 GLY N N 115.144 0.633 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 112 114 '220,222' '390,392' '493,495' '576,578' '660,662' '675,677' '817,819' '1064,1066' '1096,1098' '1167,1169' '1193,1195' '1277,1279' '1355,1357' '1446,1448' '1471,1473' '1482,1484' stop_ save_