data_17597 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical shift assignments for Rv0577, a putative glyoxylase associated with virulence from Mycobacterium tuberculosis. Seattle Structural Genomics Center for Infectious Disease (SSGCID) target MytuD.17269.a. ; _BMRB_accession_number 17597 _BMRB_flat_file_name bmr17597.str _Entry_type original _Submission_date 2011-04-21 _Accession_date 2011-04-21 _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 Buchko Garry W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 606 "13C chemical shifts" 772 "15N chemical shifts" 221 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-04-06 update BMRB 'update entry citation' 2012-03-08 update BMRB 'update entry citation' 2011-05-19 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Chemical shift assignments for Rv0577, a putative glyoxylase associated with virulence from Mycobacterium tuberculosis.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21761124 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Buchko Garry W. . 2 Kim Heungbok . . 3 Myler Peter J. . 4 Terwilliger Thomas C. . 5 Kim Chang-Yub . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 6 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 43 _Page_last 46 _Year 2012 _Details . loop_ _Keyword 'host-pathogen interactions' 'infectious diseases' SSGCID tuberculosis 'virulence factors' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Rv0577 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Rv0577 $Rv0577 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'putative glyoxylase' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Rv0577 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Rv0577 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'putative glyoxylase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 269 _Mol_residue_sequence ; MPKRSEYRQGTPNWVDLQTT DQSAAKKFYTSLFGWGYDDN PVPGGGGVYSMATLNGEAVA AIAPMPPGAPEGMPPIWNTY IAVDDVDAVVDKVVPGGGQV MMPAFDIGDAGRMSFITDPT GAAVGLWQANRHIGATLVNE TGTLIWNELLTDKPDLALAF YEAVVGLTHSSMEIAAGQNY RVLKAGDAEVGGCMEPPMPG VPNHWHVYFAVDDADATAAK AAAAGGQVIAEPADIPSVGR FAVLSDPQGAIFSVLKPAPQ QRSHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 PRO 3 LYS 4 ARG 5 SER 6 GLU 7 TYR 8 ARG 9 GLN 10 GLY 11 THR 12 PRO 13 ASN 14 TRP 15 VAL 16 ASP 17 LEU 18 GLN 19 THR 20 THR 21 ASP 22 GLN 23 SER 24 ALA 25 ALA 26 LYS 27 LYS 28 PHE 29 TYR 30 THR 31 SER 32 LEU 33 PHE 34 GLY 35 TRP 36 GLY 37 TYR 38 ASP 39 ASP 40 ASN 41 PRO 42 VAL 43 PRO 44 GLY 45 GLY 46 GLY 47 GLY 48 VAL 49 TYR 50 SER 51 MET 52 ALA 53 THR 54 LEU 55 ASN 56 GLY 57 GLU 58 ALA 59 VAL 60 ALA 61 ALA 62 ILE 63 ALA 64 PRO 65 MET 66 PRO 67 PRO 68 GLY 69 ALA 70 PRO 71 GLU 72 GLY 73 MET 74 PRO 75 PRO 76 ILE 77 TRP 78 ASN 79 THR 80 TYR 81 ILE 82 ALA 83 VAL 84 ASP 85 ASP 86 VAL 87 ASP 88 ALA 89 VAL 90 VAL 91 ASP 92 LYS 93 VAL 94 VAL 95 PRO 96 GLY 97 GLY 98 GLY 99 GLN 100 VAL 101 MET 102 MET 103 PRO 104 ALA 105 PHE 106 ASP 107 ILE 108 GLY 109 ASP 110 ALA 111 GLY 112 ARG 113 MET 114 SER 115 PHE 116 ILE 117 THR 118 ASP 119 PRO 120 THR 121 GLY 122 ALA 123 ALA 124 VAL 125 GLY 126 LEU 127 TRP 128 GLN 129 ALA 130 ASN 131 ARG 132 HIS 133 ILE 134 GLY 135 ALA 136 THR 137 LEU 138 VAL 139 ASN 140 GLU 141 THR 142 GLY 143 THR 144 LEU 145 ILE 146 TRP 147 ASN 148 GLU 149 LEU 150 LEU 151 THR 152 ASP 153 LYS 154 PRO 155 ASP 156 LEU 157 ALA 158 LEU 159 ALA 160 PHE 161 TYR 162 GLU 163 ALA 164 VAL 165 VAL 166 GLY 167 LEU 168 THR 169 HIS 170 SER 171 SER 172 MET 173 GLU 174 ILE 175 ALA 176 ALA 177 GLY 178 GLN 179 ASN 180 TYR 181 ARG 182 VAL 183 LEU 184 LYS 185 ALA 186 GLY 187 ASP 188 ALA 189 GLU 190 VAL 191 GLY 192 GLY 193 CYS 194 MET 195 GLU 196 PRO 197 PRO 198 MET 199 PRO 200 GLY 201 VAL 202 PRO 203 ASN 204 HIS 205 TRP 206 HIS 207 VAL 208 TYR 209 PHE 210 ALA 211 VAL 212 ASP 213 ASP 214 ALA 215 ASP 216 ALA 217 THR 218 ALA 219 ALA 220 LYS 221 ALA 222 ALA 223 ALA 224 ALA 225 GLY 226 GLY 227 GLN 228 VAL 229 ILE 230 ALA 231 GLU 232 PRO 233 ALA 234 ASP 235 ILE 236 PRO 237 SER 238 VAL 239 GLY 240 ARG 241 PHE 242 ALA 243 VAL 244 LEU 245 SER 246 ASP 247 PRO 248 GLN 249 GLY 250 ALA 251 ILE 252 PHE 253 SER 254 VAL 255 LEU 256 LYS 257 PRO 258 ALA 259 PRO 260 GLN 261 GLN 262 ARG 263 SER 264 HIS 265 HIS 266 HIS 267 HIS 268 HIS 269 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 3OXH "Mycobacterium Tuberculosis Kinase Inhibitor Homolog Rv0577" 97.03 282 99.62 99.62 0.00e+00 DBJ BAH24886 "hypothetical protein JTY_0592 [Mycobacterium bovis BCG str. Tokyo 172]" 97.03 261 100.00 100.00 0.00e+00 DBJ BAL64448 "hypothetical protein ERDMAN_0633 [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" 97.03 261 100.00 100.00 0.00e+00 DBJ BAQ04462 "hypothetical protein KURONO_0643 [Mycobacterium tuberculosis str. Kurono]" 97.03 263 100.00 100.00 0.00e+00 DBJ GAA44359 "hypothetical protein NCGM2209_0962 [Mycobacterium tuberculosis NCGM2209]" 97.03 261 100.00 100.00 0.00e+00 EMBL CAA07636 "27.3 kDa MAb HBT7 reactive antigen [Mycobacterium tuberculosis H37Rv]" 97.03 261 100.00 100.00 0.00e+00 EMBL CAL70607 "Conserved hypothetical protein TB27.3 [Mycobacterium bovis BCG str. Pasteur 1173P2]" 97.03 261 100.00 100.00 0.00e+00 EMBL CCC25656 "conserved hypothetical protein TB27.3 [Mycobacterium africanum GM041182]" 97.03 261 100.00 100.00 0.00e+00 EMBL CCC63181 "conserved hypothetical protein TB27.3 [Mycobacterium bovis BCG str. Moreau RDJ]" 97.03 261 100.00 100.00 0.00e+00 EMBL CCE36117 "TB27.3 [Mycobacterium tuberculosis UT205]" 97.03 261 100.00 100.00 0.00e+00 GB AAK44829 "doxorubicin biosynthesis enzyme DnrV [Mycobacterium tuberculosis CDC1551]" 97.03 263 100.00 100.00 0.00e+00 GB ABQ72307 "conserved hypothetical protein [Mycobacterium tuberculosis H37Ra]" 97.03 261 100.00 100.00 0.00e+00 GB ABR04930 "conserved hypothetical protein TB27.3 [Mycobacterium tuberculosis F11]" 97.03 261 100.00 100.00 0.00e+00 GB ACJ14499 "Cfp32, partial [Mycobacterium tuberculosis]" 95.54 257 98.44 98.83 0.00e+00 GB ACJ14500 "Cfp32, partial [Mycobacterium tuberculosis]" 94.80 255 98.82 99.22 4.01e-180 REF NP_215091 "hypothetical protein Rv0577 [Mycobacterium tuberculosis H37Rv]" 97.03 261 100.00 100.00 0.00e+00 REF NP_854252 "hypothetical protein Mb0592 [Mycobacterium bovis AF2122/97]" 97.03 261 100.00 100.00 0.00e+00 REF WP_003403012 "MULTISPECIES: hypothetical protein [Mycobacterium]" 97.03 261 100.00 100.00 0.00e+00 REF WP_015287862 "hypothetical protein [Mycobacterium canettii]" 97.03 261 97.70 98.85 0.00e+00 REF WP_015292278 "hypothetical protein [Mycobacterium canettii]" 97.03 261 97.70 98.47 0.00e+00 SP P0A5N9 "RecName: Full=27 kDa antigen Cfp30B" 97.03 261 100.00 100.00 0.00e+00 SP P9WIR2 "RecName: Full=27 kDa antigen Cfp30B" 97.03 261 100.00 100.00 0.00e+00 SP P9WIR3 "RecName: Full=27 kDa antigen Cfp30B" 97.03 261 100.00 100.00 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $Rv0577 'E. coli' 562 Bacteria . Escherichia coli BL21(DE3) Rv0577 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 $Rv0577 'recombinant technology' . Escherichia coli BL21(DE3) pMCSG7 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 $Rv0577 1.5 mM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 100 mM 'natural abundance' TRIS 20 mM 'natural abundance' DTT 1 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.115 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Felix _Saveframe_category software _Name FELIX _Version 2007 loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _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_2D_HBCBCGCDHD_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HBCBCGCDHD' _Sample_label $sample_1 save_ save_2D_HBCBCGCDCHE_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HBCBCGCDCHE' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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' 0.1 0.05 M pH 7.1 0.2 pH pressure 1 . atm temperature 303 0.5 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 DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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 HNCO' '3D HNCACB' '3D C(CO)NH' '3D 1H-13C NOESY aromatic' '3D 1H-15N NOESY' 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 Rv0577 _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 5 5 SER HA H 4.54 0.02 1 2 5 5 SER HB2 H 3.94 0.02 2 3 5 5 SER HB3 H 3.75 0.02 2 4 5 5 SER C C 173.2 0.2 1 5 5 5 SER CA C 58.2 0.2 1 6 5 5 SER CB C 65.1 0.2 1 7 6 6 GLU H H 7.19 0.02 1 8 6 6 GLU HA H 4.51 0.02 1 9 6 6 GLU C C 175.7 0.2 1 10 6 6 GLU CA C 55.8 0.2 1 11 6 6 GLU CB C 32.0 0.2 1 12 6 6 GLU CG C 34.8 0.2 1 13 6 6 GLU N N 117.9 0.2 1 14 7 7 TYR H H 8.81 0.02 1 15 7 7 TYR HB2 H 3.02 0.02 2 16 7 7 TYR HB3 H 2.62 0.02 2 17 7 7 TYR HD1 H 6.79 0.02 3 18 7 7 TYR HD2 H 6.79 0.02 3 19 7 7 TYR HE1 H 6.58 0.02 3 20 7 7 TYR HE2 H 6.58 0.02 3 21 7 7 TYR C C 174.9 0.2 1 22 7 7 TYR CA C 58.4 0.2 1 23 7 7 TYR CB C 42.0 0.2 1 24 7 7 TYR CD1 C 133.4 0.2 3 25 7 7 TYR CD2 C 133.4 0.2 3 26 7 7 TYR N N 119.7 0.2 1 27 8 8 ARG H H 8.48 0.02 1 28 8 8 ARG HA H 4.38 0.02 1 29 8 8 ARG C C 176.9 0.2 1 30 8 8 ARG CA C 54.9 0.2 1 31 8 8 ARG CB C 31.0 0.2 1 32 8 8 ARG CG C 26.7 0.2 1 33 8 8 ARG CD C 43.3 0.2 1 34 8 8 ARG N N 123.4 0.2 1 35 9 9 GLN H H 9.31 0.02 1 36 9 9 GLN HA H 4.16 0.02 1 37 9 9 GLN C C 176.0 0.2 1 38 9 9 GLN CA C 57.3 0.2 1 39 9 9 GLN CB C 28.0 0.2 1 40 9 9 GLN CG C 34.4 0.2 1 41 9 9 GLN N N 127.6 0.2 1 42 10 10 GLY H H 9.20 0.02 1 43 10 10 GLY HA2 H 4.44 0.02 2 44 10 10 GLY HA3 H 3.09 0.02 2 45 10 10 GLY C C 171.1 0.2 1 46 10 10 GLY CA C 44.2 0.2 1 47 10 10 GLY N N 114.1 0.2 1 48 11 11 THR H H 7.87 0.02 1 49 11 11 THR CA C 62.0 0.2 1 50 11 11 THR CB C 70.6 0.2 1 51 11 11 THR N N 114.9 0.2 1 52 12 12 PRO CA C 63.4 0.2 1 53 12 12 PRO CB C 30.5 0.2 1 54 12 12 PRO CG C 27.6 0.2 1 55 13 13 ASN H H 9.01 0.02 1 56 13 13 ASN C C 173.7 0.2 1 57 13 13 ASN CA C 53.5 0.2 1 58 13 13 ASN CB C 39.4 0.2 1 59 13 13 ASN N N 124.2 0.2 1 60 14 14 TRP H H 7.41 0.02 1 61 14 14 TRP HD1 H 6.41 0.02 1 62 14 14 TRP HE1 H 9.88 0.02 1 63 14 14 TRP HZ2 H 6.90 0.02 1 64 14 14 TRP C C 173.2 0.2 1 65 14 14 TRP CA C 54.9 0.2 1 66 14 14 TRP CB C 32.8 0.2 1 67 14 14 TRP CD1 C 124.9 0.2 1 68 14 14 TRP CZ2 C 113.5 0.2 1 69 14 14 TRP N N 120.9 0.2 1 70 14 14 TRP NE1 N 127.0 0.2 1 71 15 15 VAL H H 6.14 0.02 1 72 15 15 VAL HA H 5.55 0.02 1 73 15 15 VAL CA C 58.2 0.2 1 74 15 15 VAL CB C 36.4 0.2 1 75 15 15 VAL CG1 C 24.2 0.2 2 76 15 15 VAL CG2 C 18.2 0.2 2 77 15 15 VAL N N 116.3 0.2 1 78 16 16 ASP H H 8.48 0.02 1 79 16 16 ASP CA C 52.4 0.2 1 80 16 16 ASP CB C 42.8 0.2 1 81 16 16 ASP N N 114.7 0.2 1 82 17 17 LEU H H 7.89 0.02 1 83 17 17 LEU HA H 4.33 0.02 1 84 17 17 LEU C C 175.5 0.2 1 85 17 17 LEU CA C 52.2 0.2 1 86 17 17 LEU CB C 42.8 0.2 1 87 17 17 LEU CG C 27.4 0.2 1 88 17 17 LEU N N 124.8 0.2 1 89 18 18 GLN H H 8.09 0.02 1 90 18 18 GLN CA C 53.8 0.2 1 91 18 18 GLN CB C 30.0 0.2 1 92 18 18 GLN CG C 34.3 0.2 1 93 18 18 GLN N N 125.3 0.2 1 94 19 19 THR H H 8.21 0.02 1 95 19 19 THR HA H 4.88 0.02 1 96 19 19 THR HB H 3.62 0.02 1 97 19 19 THR HG2 H 0.81 0.02 1 98 19 19 THR CA C 58.4 0.2 1 99 19 19 THR CB C 68.2 0.2 1 100 19 19 THR CG2 C 20.0 0.2 1 101 19 19 THR N N 114.6 0.2 1 102 20 20 THR H H 7.13 0.02 1 103 20 20 THR HA H 4.40 0.02 1 104 20 20 THR HB H 4.14 0.02 1 105 20 20 THR HG2 H 1.34 0.02 1 106 20 20 THR C C 175.5 0.2 1 107 20 20 THR CA C 62.0 0.2 1 108 20 20 THR CB C 69.3 0.2 1 109 20 20 THR CG2 C 22.9 0.2 1 110 20 20 THR N N 113.4 0.2 1 111 21 21 ASP H H 7.18 0.02 1 112 21 21 ASP HA H 4.78 0.02 1 113 21 21 ASP HB2 H 2.75 0.02 2 114 21 21 ASP HB3 H 2.38 0.02 2 115 21 21 ASP CA C 53.0 0.2 1 116 21 21 ASP CB C 41.2 0.2 1 117 21 21 ASP N N 120.9 0.2 1 118 22 22 GLN H H 8.86 0.02 1 119 22 22 GLN HA H 3.57 0.02 1 120 22 22 GLN CA C 59.8 0.2 1 121 22 22 GLN CB C 30.3 0.2 1 122 22 22 GLN CG C 35.2 0.2 1 123 22 22 GLN N N 124.5 0.2 1 124 23 23 SER H H 8.42 0.02 1 125 23 23 SER CA C 62.2 0.02 1 126 23 23 SER CB C 62.3 0.02 1 127 23 23 SER N N 114.1 0.2 1 128 24 24 ALA H H 7.89 0.02 1 129 24 24 ALA HA H 4.10 0.02 1 130 24 24 ALA HB H 1.32 0.02 1 131 24 24 ALA C C 181.4 0.2 1 132 24 24 ALA CA C 52.3 0.2 1 133 24 24 ALA CB C 19.1 0.2 1 134 24 24 ALA N N 124.8 0.2 1 135 25 25 ALA H H 8.41 0.02 1 136 25 25 ALA HA H 4.20 0.02 1 137 25 25 ALA HB H 1.70 0.02 1 138 25 25 ALA C C 179.3 0.2 1 139 25 25 ALA CA C 55.9 0.2 1 140 25 25 ALA CB C 19.5 0.2 1 141 25 25 ALA N N 123.4 0.2 1 142 26 26 LYS H H 8.28 0.02 1 143 26 26 LYS HA H 4.02 0.02 1 144 26 26 LYS C C 180.0 0.2 1 145 26 26 LYS CA C 59.6 0.2 1 146 26 26 LYS CB C 34.2 0.2 1 147 26 26 LYS CG C 25.5 0.2 1 148 26 26 LYS CD C 30.4 0.2 1 149 26 26 LYS N N 117.2 0.2 1 150 27 27 LYS H H 7.08 0.02 1 151 27 27 LYS HA H 4.10 0.02 1 152 27 27 LYS HE2 H 3.02 0.02 2 153 27 27 LYS HE3 H 3.02 0.02 2 154 27 27 LYS CA C 59.8 0.2 1 155 27 27 LYS CB C 32.8 0.2 1 156 27 27 LYS CG C 25.1 0.2 1 157 27 27 LYS CD C 29.3 0.2 1 158 27 27 LYS CE C 42.2 0.2 1 159 27 27 LYS N N 116.3 0.2 1 160 28 28 PHE H H 7.89 0.02 1 161 28 28 PHE HA H 4.04 0.02 1 162 28 28 PHE HB2 H 3.14 0.02 2 163 28 28 PHE HB3 H 2.98 0.02 2 164 28 28 PHE HD1 H 7.23 0.02 3 165 28 28 PHE HD2 H 7.23 0.02 3 166 28 28 PHE C C 176.9 0.2 1 167 28 28 PHE CA C 62.2 0.2 1 168 28 28 PHE CB C 39.1 0.2 1 169 28 28 PHE N N 121.5 0.2 1 170 29 29 TYR H H 8.97 0.02 1 171 29 29 TYR HA H 3.34 0.02 1 172 29 29 TYR HB2 H 2.96 0.02 2 173 29 29 TYR HB3 H 2.69 0.02 2 174 29 29 TYR C C 179.5 0.2 1 175 29 29 TYR CA C 59.6 0.2 1 176 29 29 TYR CB C 38.4 0.2 1 177 29 29 TYR N N 117.2 0.2 1 178 30 30 THR H H 8.43 0.02 1 179 30 30 THR HA H 4.21 0.02 1 180 30 30 THR HB H 3.98 0.02 1 181 30 30 THR HG2 H 1.31 0.02 1 182 30 30 THR C C 177.1 0.2 1 183 30 30 THR CA C 68.5 0.2 1 184 30 30 THR CB C 68.5 0.2 1 185 30 30 THR CG2 C 22.3 0.2 1 186 30 30 THR N N 119.1 0.2 1 187 31 31 SER H H 7.68 0.02 1 188 31 31 SER C C 175.0 0.2 1 189 31 31 SER CA C 62.3 0.2 1 190 31 31 SER CB C 62.3 0.2 1 191 31 31 SER N N 119.8 0.2 1 192 32 32 LEU H H 6.80 0.02 1 193 32 32 LEU HA H 3.66 0.02 1 194 32 32 LEU C C 178.7 0.2 1 195 32 32 LEU CA C 57.4 0.2 1 196 32 32 LEU CB C 40.9 0.2 1 197 32 32 LEU CG C 24.7 0.2 1 198 32 32 LEU CD1 C 22.8 0.2 2 199 32 32 LEU CD2 C 22.8 0.2 2 200 32 32 LEU N N 116.2 0.2 1 201 33 33 PHE H H 7.71 0.02 1 202 33 33 PHE HB2 H 3.06 0.02 2 203 33 33 PHE HB3 H 1.10 0.02 2 204 33 33 PHE HD1 H 6.10 0.02 3 205 33 33 PHE HD2 H 6.10 0.02 3 206 33 33 PHE C C 176.9 0.2 1 207 33 33 PHE CA C 55.7 0.2 1 208 33 33 PHE CB C 41.2 0.2 1 209 33 33 PHE CD1 C 131.0 0.2 3 210 33 33 PHE CD2 C 131.0 0.2 3 211 33 33 PHE N N 114.2 0.2 1 212 34 34 GLY H H 8.40 0.02 1 213 34 34 GLY HA2 H 4.18 0.02 2 214 34 34 GLY HA3 H 3.84 0.02 2 215 34 34 GLY C C 174.4 0.2 1 216 34 34 GLY CA C 45.6 0.2 1 217 34 34 GLY N N 107.2 0.2 1 218 35 35 TRP H H 6.48 0.02 1 219 35 35 TRP HB2 H 3.00 0.02 2 220 35 35 TRP HB3 H 3.00 0.02 2 221 35 35 TRP HE1 H 10.94 0.02 1 222 35 35 TRP HZ2 H 6.10 0.02 1 223 35 35 TRP C C 177.5 0.2 1 224 35 35 TRP CA C 56.0 0.2 1 225 35 35 TRP CB C 29.9 0.2 1 226 35 35 TRP CZ2 C 115.1 0.2 1 227 35 35 TRP N N 118.6 0.2 1 228 35 35 TRP NE1 N 131.4 0.2 1 229 36 36 GLY H H 8.62 0.02 1 230 36 36 GLY HA2 H 4.33 0.02 2 231 36 36 GLY HA3 H 3.49 0.02 2 232 36 36 GLY C C 172.2 0.2 1 233 36 36 GLY CA C 43.3 0.2 1 234 36 36 GLY N N 112.1 0.2 1 235 37 37 TYR H H 7.97 0.02 1 236 37 37 TYR HA H 5.95 0.02 1 237 37 37 TYR HB2 H 2.73 0.02 2 238 37 37 TYR HB3 H 2.59 0.02 2 239 37 37 TYR C C 175.8 0.2 1 240 37 37 TYR CA C 56.9 0.2 1 241 37 37 TYR CB C 42.9 0.2 1 242 37 37 TYR N N 111.8 0.2 1 243 38 38 ASP H H 9.17 0.02 1 244 38 38 ASP HA H 4.94 0.02 1 245 38 38 ASP HB2 H 2.73 0.02 2 246 38 38 ASP HB3 H 2.54 0.02 2 247 38 38 ASP C C 175.4 0.2 1 248 38 38 ASP CA C 53.1 0.2 1 249 38 38 ASP CB C 42.9 0.2 1 250 38 38 ASP N N 124.0 0.2 1 251 39 39 ASP H H 8.72 0.02 1 252 39 39 ASP HA H 4.87 0.02 1 253 39 39 ASP HB2 H 2.63 0.02 2 254 39 39 ASP HB3 H 2.35 0.02 2 255 39 39 ASP CA C 54.9 0.2 1 256 39 39 ASP CB C 41.4 0.2 1 257 39 39 ASP N N 126.2 0.2 1 258 40 40 ASN H H 8.49 0.02 1 259 40 40 ASN HB2 H 3.01 0.02 2 260 40 40 ASN HB3 H 2.74 0.02 2 261 40 40 ASN HD21 H 7.30 0.02 2 262 40 40 ASN HD22 H 6.99 0.02 2 263 40 40 ASN CA C 51.2 0.2 1 264 40 40 ASN CB C 41.2 0.2 1 265 40 40 ASN N N 123.1 0.2 1 266 40 40 ASN ND2 N 112.8 0.2 1 267 41 41 PRO CA C 63.4 0.2 1 268 41 41 PRO CB C 32.1 0.2 1 269 41 41 PRO CG C 27.7 0.2 1 270 42 42 VAL H H 8.16 0.02 1 271 42 42 VAL CA C 60.3 0.2 1 272 42 42 VAL CB C 32.5 0.2 1 273 42 42 VAL N N 123.4 0.2 1 274 44 44 GLY C C 175.4 0.2 1 275 44 44 GLY CA C 45.7 0.2 1 276 45 45 GLY H H 8.16 0.02 1 277 45 45 GLY HA2 H 4.15 0.02 2 278 45 45 GLY HA3 H 4.15 0.02 2 279 45 45 GLY C C 174.6 0.2 1 280 45 45 GLY CA C 45.4 0.2 1 281 45 45 GLY N N 108.1 0.2 1 282 46 46 GLY H H 8.08 0.02 1 283 46 46 GLY HA2 H 4.06 0.02 2 284 46 46 GLY HA3 H 3.87 0.02 2 285 46 46 GLY C C 174.2 0.2 1 286 46 46 GLY CA C 45.6 0.2 1 287 46 46 GLY N N 106.9 0.2 1 288 47 47 GLY H H 7.83 0.02 1 289 47 47 GLY HA2 H 4.20 0.02 2 290 47 47 GLY HA3 H 4.00 0.02 2 291 47 47 GLY CA C 44.6 0.2 1 292 47 47 GLY N N 107.5 0.2 1 293 48 48 VAL H H 8.73 0.02 1 294 48 48 VAL CA C 61.0 0.2 1 295 48 48 VAL CB C 35.2 0.2 1 296 48 48 VAL N N 119.6 0.2 1 297 49 49 TYR HA H 4.63 0.02 1 298 49 49 TYR HB2 H 3.20 0.02 2 299 49 49 TYR HB3 H 2.72 0.02 2 300 49 49 TYR C C 175.3 0.2 1 301 49 49 TYR CA C 57.7 0.2 1 302 49 49 TYR CB C 40.3 0.2 1 303 50 50 SER H H 8.29 0.02 1 304 50 50 SER HA H 5.02 0.02 1 305 50 50 SER HB2 H 3.78 0.02 2 306 50 50 SER HB3 H 3.78 0.02 2 307 50 50 SER C C 173.7 0.2 1 308 50 50 SER CA C 58.3 0.2 1 309 50 50 SER CB C 63.0 0.2 1 310 50 50 SER N N 124.6 0.2 1 311 51 51 MET H H 8.77 0.02 1 312 51 51 MET HA H 4.54 0.02 1 313 51 51 MET C C 174.6 0.2 1 314 51 51 MET CA C 55.9 0.2 1 315 51 51 MET CB C 33.5 0.2 1 316 51 51 MET CG C 32.6 0.2 1 317 51 51 MET N N 127.6 0.2 1 318 52 52 ALA H H 9.31 0.02 1 319 52 52 ALA HA H 4.96 0.02 1 320 52 52 ALA HB H 0.37 0.02 1 321 52 52 ALA C C 176.9 0.2 1 322 52 52 ALA CA C 50.4 0.2 1 323 52 52 ALA CB C 19.7 0.2 1 324 52 52 ALA N N 131.6 0.2 1 325 53 53 THR H H 8.71 0.02 1 326 53 53 THR C C 174.1 0.2 1 327 53 53 THR CA C 58.3 0.2 1 328 53 53 THR CB C 72.5 0.2 1 329 53 53 THR N N 114.0 0.2 1 330 54 54 LEU H H 8.14 0.02 1 331 54 54 LEU HA H 4.58 0.02 1 332 54 54 LEU C C 176.4 0.2 1 333 54 54 LEU CA C 54.5 0.2 1 334 54 54 LEU CB C 46.3 0.2 1 335 54 54 LEU N N 121.2 0.2 1 336 55 55 ASN H H 9.28 0.02 1 337 55 55 ASN HA H 4.35 0.02 1 338 55 55 ASN HB2 H 3.09 0.02 2 339 55 55 ASN HB3 H 2.79 0.02 2 340 55 55 ASN HD21 H 7.23 0.02 2 341 55 55 ASN HD22 H 6.91 0.02 2 342 55 55 ASN C C 175.3 0.2 1 343 55 55 ASN CA C 54.2 0.2 1 344 55 55 ASN CB C 37.7 0.2 1 345 55 55 ASN N N 122.8 0.2 1 346 55 55 ASN ND2 N 112.6 0.2 1 347 56 56 GLY H H 8.54 0.02 1 348 56 56 GLY CA C 45.5 0.2 1 349 56 56 GLY N N 102.7 0.2 1 350 57 57 GLU H H 7.82 0.02 1 351 57 57 GLU HA H 4.59 0.02 1 352 57 57 GLU C C 175.1 0.2 1 353 57 57 GLU CA C 54.0 0.2 1 354 57 57 GLU CB C 30.9 0.2 1 355 57 57 GLU CG C 33.8 0.2 1 356 57 57 GLU N N 120.1 0.2 1 357 58 58 ALA H H 8.02 0.02 1 358 58 58 ALA C C 178.0 0.2 1 359 58 58 ALA CA C 53.0 0.2 1 360 58 58 ALA CB C 20.0 0.2 1 361 58 58 ALA N N 124.5 0.2 1 362 59 59 VAL H H 8.73 0.02 1 363 59 59 VAL HA H 4.60 0.02 1 364 59 59 VAL C C 173.9 0.2 1 365 59 59 VAL CA C 62.8 0.2 1 366 59 59 VAL CB C 34.2 0.2 1 367 59 59 VAL CG1 C 22.3 0.2 2 368 59 59 VAL CG2 C 18.8 0.2 2 369 59 59 VAL N N 117.2 0.2 1 370 60 60 ALA H H 7.50 0.02 1 371 60 60 ALA HB H 0.85 0.02 1 372 60 60 ALA C C 175.1 0.2 1 373 60 60 ALA CA C 51.3 0.2 1 374 60 60 ALA CB C 19.7 0.2 1 375 60 60 ALA N N 117.8 0.2 1 376 61 61 ALA H H 6.74 0.02 1 377 61 61 ALA HB H 1.23 0.02 1 378 61 61 ALA C C 174.7 0.2 1 379 61 61 ALA CA C 52.3 0.2 1 380 61 61 ALA CB C 24.4 0.2 1 381 61 61 ALA N N 115.5 0.2 1 382 62 62 ILE H H 8.71 0.02 1 383 62 62 ILE HA H 4.37 0.02 1 384 62 62 ILE C C 173.2 0.2 1 385 62 62 ILE CA C 61.6 0.2 1 386 62 62 ILE CB C 40.6 0.2 1 387 62 62 ILE CG1 C 27.1 0.2 1 388 62 62 ILE CG2 C 18.3 0.2 1 389 62 62 ILE N N 118.1 0.2 1 390 63 63 ALA H H 9.90 0.02 1 391 63 63 ALA CA C 49.8 0.2 1 392 63 63 ALA CB C 21.9 0.2 1 393 63 63 ALA N N 134.6 0.2 1 394 67 67 PRO HA H 4.34 0.02 1 395 67 67 PRO C C 178.2 0.2 1 396 67 67 PRO CA C 63.8 0.2 1 397 67 67 PRO CB C 31.6 0.2 1 398 67 67 PRO CG C 27.6 0.2 1 399 67 67 PRO CD C 50.5 0.2 1 400 68 68 GLY H H 8.62 0.02 1 401 68 68 GLY HA2 H 3.87 0.02 2 402 68 68 GLY HA3 H 3.87 0.02 2 403 68 68 GLY C C 174.4 0.2 1 404 68 68 GLY CA C 45.3 0.2 1 405 68 68 GLY N N 110.0 0.2 1 406 69 69 ALA H H 7.38 0.02 1 407 69 69 ALA CA C 50.8 0.2 1 408 69 69 ALA CB C 18.3 0.2 1 409 69 69 ALA N N 124.1 0.2 1 410 70 70 PRO HA H 4.43 0.02 1 411 70 70 PRO C C 177.0 0.2 1 412 70 70 PRO CA C 62.6 0.2 1 413 70 70 PRO CB C 32.2 0.2 1 414 70 70 PRO CG C 27.4 0.2 1 415 70 70 PRO CD C 50.6 0.2 1 416 71 71 GLU H H 8.55 0.02 1 417 71 71 GLU HA H 4.07 0.02 1 418 71 71 GLU C C 173.9 0.2 1 419 71 71 GLU CA C 58.1 0.2 1 420 71 71 GLU CB C 29.4 0.2 1 421 71 71 GLU CG C 36.2 0.2 1 422 71 71 GLU N N 122.5 0.2 1 423 72 72 GLY H H 8.68 0.02 1 424 72 72 GLY HA2 H 4.05 0.02 2 425 72 72 GLY HA3 H 3.78 0.02 2 426 72 72 GLY CA C 45.3 0.2 1 427 72 72 GLY N N 111.4 0.2 1 428 73 73 MET H H 7.39 0.02 1 429 73 73 MET CA C 54.0 0.2 1 430 73 73 MET CB C 33.1 0.2 1 431 73 73 MET N N 122.6 0.2 1 432 75 75 PRO HA H 4.68 0.02 1 433 75 75 PRO C C 175.3 0.2 1 434 75 75 PRO CA C 63.4 0.2 1 435 75 75 PRO CB C 33.2 0.2 1 436 75 75 PRO CG C 28.9 0.2 1 437 75 75 PRO CD C 50.7 0.2 1 438 76 76 ILE H H 8.08 0.02 1 439 76 76 ILE CA C 60.2 0.2 1 440 76 76 ILE CB C 43.9 0.2 1 441 76 76 ILE CG1 C 27.9 0.2 1 442 76 76 ILE CG2 C 17.6 0.2 1 443 76 76 ILE CD1 C 14.6 0.2 1 444 76 76 ILE N N 118.2 0.2 1 445 77 77 TRP H H 8.73 0.02 1 446 77 77 TRP HD1 H 7.17 0.02 1 447 77 77 TRP HE1 H 9.91 0.02 1 448 77 77 TRP HE3 H 6.48 0.02 1 449 77 77 TRP HZ2 H 6.20 0.02 1 450 77 77 TRP HZ3 H 6.18 0.02 1 451 77 77 TRP HH2 H 6.71 0.02 1 452 77 77 TRP C C 176.8 0.2 1 453 77 77 TRP CA C 57.7 0.2 1 454 77 77 TRP CB C 29.7 0.2 1 455 77 77 TRP CD1 C 125.8 0.2 1 456 77 77 TRP CE3 C 120.2 0.2 1 457 77 77 TRP CZ2 C 115.1 0.2 1 458 77 77 TRP CZ3 C 124.8 0.2 1 459 77 77 TRP CH2 C 123.9 0.2 1 460 77 77 TRP N N 123.6 0.2 1 461 77 77 TRP NE1 N 127.6 0.2 1 462 78 78 ASN H H 10.69 0.02 1 463 78 78 ASN HA H 4.99 0.02 1 464 78 78 ASN HB2 H 3.52 0.02 2 465 78 78 ASN HB3 H 2.36 0.02 2 466 78 78 ASN HD21 H 7.51 0.02 2 467 78 78 ASN HD22 H 6.28 0.02 2 468 78 78 ASN CA C 53.2 0.2 1 469 78 78 ASN CB C 41.5 0.2 1 470 78 78 ASN N N 126.8 0.2 1 471 78 78 ASN ND2 N 112.9 0.2 1 472 79 79 THR H H 8.44 0.02 1 473 79 79 THR HG2 H 0.81 0.2 1 474 79 79 THR CA C 63.3 0.2 1 475 79 79 THR CB C 71.3 0.2 1 476 79 79 THR CG2 C 20.1 0.2 1 477 79 79 THR N N 117.1 0.2 1 478 80 80 TYR H H 8.11 0.02 1 479 80 80 TYR C C 173.4 0.2 1 480 80 80 TYR CA C 55.4 0.2 1 481 80 80 TYR CB C 40.9 0.2 1 482 80 80 TYR N N 122.9 0.2 1 483 81 81 ILE H H 8.41 0.02 1 484 81 81 ILE HA H 4.05 0.02 1 485 81 81 ILE C C 175.2 0.2 1 486 81 81 ILE CA C 57.7 0.2 1 487 81 81 ILE CB C 40.8 0.2 1 488 81 81 ILE CG1 C 27.3 0.2 1 489 81 81 ILE N N 118.8 0.2 1 490 82 82 ALA H H 7.92 0.02 1 491 82 82 ALA HB H 1.35 0.02 1 492 82 82 ALA C C 174.4 0.2 1 493 82 82 ALA CA C 52.5 0.2 1 494 82 82 ALA CB C 19.4 0.2 1 495 82 82 ALA N N 129.7 0.2 1 496 83 83 VAL H H 8.30 0.02 1 497 83 83 VAL HA H 4.62 0.02 1 498 83 83 VAL HG1 H 0.95 0.02 2 499 83 83 VAL HG2 H 0.58 0.02 2 500 83 83 VAL CA C 58.8 0.2 1 501 83 83 VAL CB C 36.1 0.2 1 502 83 83 VAL CG1 C 24.1 0.2 2 503 83 83 VAL CG2 C 18.6 0.2 2 504 83 83 VAL N N 112.6 0.2 1 505 84 84 ASP H H 8.47 0.02 1 506 84 84 ASP HA H 4.60 0.02 1 507 84 84 ASP HB2 H 2.70 0.02 2 508 84 84 ASP HB3 H 2.57 0.02 2 509 84 84 ASP C C 177.0 0.2 1 510 84 84 ASP CA C 56.4 0.2 1 511 84 84 ASP CB C 40.6 0.2 1 512 84 84 ASP N N 120.3 0.2 1 513 85 85 ASP H H 7.63 0.02 1 514 85 85 ASP CA C 52.3 0.2 1 515 85 85 ASP CB C 41.6 0.2 1 516 85 85 ASP N N 119.0 0.2 1 517 86 86 VAL H H 8.91 0.02 1 518 86 86 VAL CA C 65.5 0.2 1 519 86 86 VAL CB C 32.6 0.2 1 520 86 86 VAL CG1 C 24.4 0.2 2 521 86 86 VAL CG2 C 20.1 0.2 2 522 86 86 VAL N N 123.4 0.2 1 523 87 87 ASP H H 8.11 0.02 1 524 87 87 ASP HA H 4.20 0.02 1 525 87 87 ASP HB2 H 2.68 0.02 2 526 87 87 ASP HB3 H 2.55 0.02 2 527 87 87 ASP C C 178.2 0.2 1 528 87 87 ASP CA C 57.8 0.2 1 529 87 87 ASP CB C 39.9 0.2 1 530 87 87 ASP N N 122.9 0.2 1 531 88 88 ALA H H 7.61 0.02 1 532 88 88 ALA HA H 4.08 0.02 1 533 88 88 ALA HB H 1.38 0.02 1 534 88 88 ALA C C 180.6 0.2 1 535 88 88 ALA CA C 54.4 0.2 1 536 88 88 ALA CB C 18.4 0.2 1 537 88 88 ALA N N 121.4 0.2 1 538 89 89 VAL H H 7.63 0.02 1 539 89 89 VAL HA H 3.59 0.02 1 540 89 89 VAL HG1 H 1.11 0.02 2 541 89 89 VAL HG2 H 0.81 0.02 2 542 89 89 VAL C C 178.9 0.2 1 543 89 89 VAL CA C 66.8 0.2 1 544 89 89 VAL CB C 31.6 0.2 1 545 89 89 VAL CG1 C 22.9 0.2 2 546 89 89 VAL CG2 C 22.9 0.2 2 547 89 89 VAL N N 118.1 0.2 1 548 90 90 VAL H H 8.78 0.02 1 549 90 90 VAL HA H 3.51 0.02 1 550 90 90 VAL HG1 H 1.09 0.02 2 551 90 90 VAL HG2 H 1.09 0.02 2 552 90 90 VAL C C 178.9 0.2 1 553 90 90 VAL CA C 67.2 0.2 1 554 90 90 VAL CB C 31.4 0.2 1 555 90 90 VAL CG1 C 25.1 0.2 2 556 90 90 VAL CG2 C 22.0 0.2 2 557 90 90 VAL N N 120.2 0.2 1 558 91 91 ASP H H 7.36 0.02 1 559 91 91 ASP HA H 4.52 0.02 1 560 91 91 ASP HB2 H 2.71 0.02 2 561 91 91 ASP HB3 H 2.71 0.02 2 562 91 91 ASP CA C 56.9 0.2 1 563 91 91 ASP CB C 41.3 0.2 1 564 91 91 ASP N N 118.6 0.2 1 565 92 92 LYS H H 7.77 0.02 1 566 92 92 LYS HA H 4.25 0.02 1 567 92 92 LYS C C 178.5 0.2 1 568 92 92 LYS CA C 56.8 0.2 1 569 92 92 LYS CB C 34.0 0.2 1 570 92 92 LYS CG C 25.4 0.2 1 571 92 92 LYS CD C 29.6 0.2 1 572 92 92 LYS CE C 42.4 0.2 1 573 92 92 LYS N N 116.2 0.2 1 574 93 93 VAL H H 7.71 0.02 1 575 93 93 VAL HA H 3.50 0.02 1 576 93 93 VAL HG1 H 1.22 0.02 2 577 93 93 VAL HG2 H 0.89 0.02 2 578 93 93 VAL C C 177.3 0.2 1 579 93 93 VAL CA C 67.9 0.2 1 580 93 93 VAL CB C 31.5 0.2 1 581 93 93 VAL CG1 C 24.7 0.2 2 582 93 93 VAL CG2 C 21.2 0.2 2 583 93 93 VAL N N 121.3 0.2 1 584 94 94 VAL H H 9.17 0.02 1 585 94 94 VAL CA C 67.8 0.2 1 586 94 94 VAL CB C 28.9 0.2 1 587 94 94 VAL N N 121.2 0.2 1 588 95 95 PRO HA H 4.43 0.02 1 589 95 95 PRO C C 177.6 0.2 1 590 95 95 PRO CA C 65.9 0.2 1 591 95 95 PRO CB C 30.6 0.2 1 592 95 95 PRO CG C 28.0 0.2 1 593 95 95 PRO CD C 50.1 0.2 1 594 96 96 GLY H H 7.25 0.02 1 595 96 96 GLY HA2 H 4.36 0.02 2 596 96 96 GLY HA3 H 3.51 0.02 2 597 96 96 GLY C C 174.0 0.2 1 598 96 96 GLY CA C 45.2 0.2 1 599 96 96 GLY N N 102.4 0.2 1 600 97 97 GLY H H 8.31 0.02 1 601 97 97 GLY HA2 H 4.45 0.02 2 602 97 97 GLY HA3 H 3.93 0.02 2 603 97 97 GLY C C 175.3 0.2 1 604 97 97 GLY CA C 45.2 0.2 1 605 97 97 GLY N N 107.5 0.2 1 606 98 98 GLY H H 8.32 0.02 1 607 98 98 GLY CA C 43.2 0.2 1 608 98 98 GLY N N 109.1 0.2 1 609 99 99 GLN H H 8.21 0.02 1 610 99 99 GLN HA H 4.69 0.02 1 611 99 99 GLN CA C 54.3 0.2 1 612 99 99 GLN CB C 32.7 0.2 1 613 99 99 GLN CG C 33.7 0.2 1 614 99 99 GLN N N 114.6 0.2 1 615 100 100 VAL H H 8.90 0.02 1 616 100 100 VAL HA H 4.19 0.02 1 617 100 100 VAL HG1 H 1.03 0.02 2 618 100 100 VAL HG2 H 0.84 0.02 2 619 100 100 VAL C C 175.9 0.2 1 620 100 100 VAL CA C 63.0 0.2 1 621 100 100 VAL CB C 31.8 0.2 1 622 100 100 VAL CG1 C 21.9 0.2 2 623 100 100 VAL CG2 C 20.8 0.2 2 624 100 100 VAL N N 123.2 0.2 1 625 101 101 MET H H 8.81 0.02 1 626 101 101 MET HA H 4.58 0.02 1 627 101 101 MET C C 176.9 0.2 1 628 101 101 MET CA C 56.7 0.2 1 629 101 101 MET CB C 31.9 0.2 1 630 101 101 MET N N 127.7 0.2 1 631 102 102 MET H H 8.14 0.02 1 632 102 102 MET CA C 53.1 0.2 1 633 102 102 MET CB C 35.5 0.2 1 634 102 102 MET N N 117.6 0.2 1 635 104 104 ALA HB H 1.18 0.02 1 636 104 104 ALA CB C 19.2 0.2 1 637 105 105 PHE H H 8.75 0.02 1 638 105 105 PHE HB2 H 3.20 0.02 2 639 105 105 PHE HB3 H 3.03 0.03 2 640 105 105 PHE HD1 H 7.47 0.02 3 641 105 105 PHE HD2 H 7.47 0.02 3 642 105 105 PHE HE1 H 7.23 0.02 3 643 105 105 PHE HE2 H 7.23 0.02 3 644 105 105 PHE C C 172.9 0.2 1 645 105 105 PHE CA C 55.9 0.2 1 646 105 105 PHE CB C 41.5 0.2 1 647 105 105 PHE CD1 C 133.4 0.2 3 648 105 105 PHE CD2 C 133.4 0.2 3 649 105 105 PHE CE1 C 131.2 0.2 3 650 105 105 PHE CE2 C 131.2 0.2 3 651 105 105 PHE N N 119.0 0.2 1 652 106 106 ASP H H 8.41 0.02 1 653 106 106 ASP CA C 54.6 0.2 1 654 106 106 ASP CB C 41.7 0.2 1 655 106 106 ASP N N 121.4 0.2 1 656 107 107 ILE CG2 C 17.6 0.2 1 657 107 107 ILE CD1 C 13.2 0.2 1 658 108 108 GLY H H 8.14 0.02 1 659 108 108 GLY HA2 H 3.94 0.02 2 660 108 108 GLY HA3 H 3.73 0.02 2 661 108 108 GLY C C 174.0 0.2 1 662 108 108 GLY CA C 47.2 0.2 1 663 108 108 GLY N N 113.0 0.2 1 664 109 109 ASP H H 8.43 0.02 1 665 109 109 ASP C C 175.8 0.2 1 666 109 109 ASP CA C 52.8 0.2 1 667 109 109 ASP CB C 40.3 0.2 1 668 109 109 ASP N N 125.1 0.2 1 669 110 110 ALA H H 8.81 0.02 1 670 110 110 ALA HB H 1.62 0.02 1 671 110 110 ALA C C 179.1 0.2 1 672 110 110 ALA CA C 55.5 0.2 1 673 110 110 ALA CB C 18.8 0.2 1 674 110 110 ALA N N 124.3 0.2 1 675 111 111 GLY H H 7.09 0.02 1 676 111 111 GLY CA C 45.3 0.2 1 677 111 111 GLY N N 103.5 0.2 1 678 114 114 SER H H 8.14 0.02 1 679 114 114 SER HA H 4.72 0.02 1 680 114 114 SER HB2 H 3.63 0.02 2 681 114 114 SER HB3 H 3.08 0.02 2 682 114 114 SER C C 172.9 0.2 1 683 114 114 SER CA C 56.9 0.2 1 684 114 114 SER CB C 67.1 0.2 1 685 114 114 SER N N 113.0 0.2 1 686 115 115 PHE H H 8.44 0.02 1 687 115 115 PHE HB2 H 3.24 0.02 2 688 115 115 PHE HB3 H 3.06 0.02 2 689 115 115 PHE HD1 H 7.21 0.02 3 690 115 115 PHE HD2 H 7.21 0.02 3 691 115 115 PHE HE1 H 7.05 0.02 3 692 115 115 PHE HE2 H 7.05 0.02 3 693 115 115 PHE C C 175.3 0.2 1 694 115 115 PHE CA C 58.4 0.2 1 695 115 115 PHE CB C 44.8 0.2 1 696 115 115 PHE N N 128.1 0.2 1 697 116 116 ILE H H 9.16 0.02 1 698 116 116 ILE HA H 5.35 0.02 1 699 116 116 ILE C C 174.1 0.2 1 700 116 116 ILE CA C 59.7 0.2 1 701 116 116 ILE CB C 43.0 0.2 1 702 116 116 ILE CG1 C 26.2 0.2 1 703 116 116 ILE CG2 C 19.5 0.2 1 704 116 116 ILE CD1 C 15.0 0.2 1 705 116 116 ILE N N 120.0 0.2 1 706 117 117 THR H H 9.09 0.02 1 707 117 117 THR HA H 5.26 0.02 1 708 117 117 THR HB H 3.84 0.02 1 709 117 117 THR HG2 H 1.14 0.02 1 710 117 117 THR C C 174.0 0.2 1 711 117 117 THR CA C 59.7 0.2 1 712 117 117 THR CB C 71.2 0.2 1 713 117 117 THR CG2 C 22.4 0.2 1 714 117 117 THR N N 110.4 0.2 1 715 118 118 ASP H H 8.36 0.02 1 716 118 118 ASP CA C 52.0 0.2 1 717 118 118 ASP CB C 39.6 0.2 1 718 118 118 ASP N N 121.5 0.2 1 719 119 119 PRO HA H 4.29 0.02 1 720 119 119 PRO C C 176.5 0.2 1 721 119 119 PRO CA C 65.2 0.2 1 722 119 119 PRO CB C 32.5 0.2 1 723 119 119 PRO CG C 28.2 0.2 1 724 120 120 THR H H 9.23 0.02 1 725 120 120 THR HA H 4.61 0.02 1 726 120 120 THR HB H 4.38 0.02 1 727 120 120 THR HG2 H 1.12 0.02 1 728 120 120 THR C C 174.9 0.2 1 729 120 120 THR CA C 60.8 0.2 1 730 120 120 THR CB C 68.7 0.2 1 731 120 120 THR CG2 C 24.1 0.2 1 732 120 120 THR N N 108.1 0.2 1 733 121 121 GLY H H 8.20 0.02 1 734 121 121 GLY CA C 45.0 0.2 1 735 121 121 GLY N N 110.9 0.2 1 736 122 122 ALA HA H 4.45 0.02 1 737 122 122 ALA HB H 1.28 0.02 1 738 122 122 ALA C C 175.7 0.2 1 739 122 122 ALA CA C 52.7 0.2 1 740 122 122 ALA CB C 18.7 0.2 1 741 123 123 ALA H H 8.19 0.02 1 742 123 123 ALA HB H 1.64 0.02 1 743 123 123 ALA C C 178.0 0.2 1 744 123 123 ALA CA C 50.9 0.2 1 745 123 123 ALA CB C 21.7 0.2 1 746 123 123 ALA N N 125.4 0.2 1 747 124 124 VAL H H 9.38 0.02 1 748 124 124 VAL HA H 4.17 0.02 1 749 124 124 VAL HB H 1.90 0.02 1 750 124 124 VAL HG1 H 0.84 0.02 2 751 124 124 VAL HG2 H 0.23 0.02 2 752 124 124 VAL C C 170.7 0.2 1 753 124 124 VAL CA C 61.2 0.2 1 754 124 124 VAL CB C 36.1 0.2 1 755 124 124 VAL CG1 C 20.9 0.2 2 756 124 124 VAL CG2 C 18.6 0.2 2 757 124 124 VAL N N 124.9 0.2 1 758 125 125 GLY H H 8.63 0.02 1 759 125 125 GLY HA2 H 4.52 0.02 2 760 125 125 GLY HA3 H 3.05 0.02 2 761 125 125 GLY C C 172.4 0.2 1 762 125 125 GLY CA C 44.1 0.2 1 763 125 125 GLY N N 113.2 0.2 1 764 126 126 LEU H H 8.12 0.02 1 765 126 126 LEU HA H 5.42 0.02 1 766 126 126 LEU C C 175.6 0.2 1 767 126 126 LEU CA C 52.9 0.2 1 768 126 126 LEU CB C 45.2 0.2 1 769 126 126 LEU N N 120.3 0.2 1 770 127 127 TRP H H 9.03 0.02 1 771 127 127 TRP HB2 H 3.19 0.02 2 772 127 127 TRP HB3 H 2.82 0.02 2 773 127 127 TRP C C 174.2 0.2 1 774 127 127 TRP CA C 56.4 0.2 1 775 127 127 TRP CB C 32.6 0.2 1 776 127 127 TRP N N 122.3 0.2 1 777 128 128 GLN H H 8.74 0.02 1 778 128 128 GLN HA H 5.05 0.02 1 779 128 128 GLN C C 174.5 0.2 1 780 128 128 GLN CA C 53.5 0.2 1 781 128 128 GLN CB C 30.8 0.2 1 782 128 128 GLN CG C 33.1 0.2 1 783 128 128 GLN N N 132.6 0.2 1 784 129 129 ALA H H 8.71 0.02 1 785 129 129 ALA HB H 1.55 0.02 1 786 129 129 ALA C C 177.7 0.2 1 787 129 129 ALA CA C 54.3 0.2 1 788 129 129 ALA CB C 21.5 0.2 1 789 129 129 ALA N N 130.2 0.2 1 790 130 130 ASN H H 7.74 0.02 1 791 130 130 ASN HD21 H 7.61 0.02 2 792 130 130 ASN HD22 H 6.82 0.02 2 793 130 130 ASN CA C 54.2 0.2 1 794 130 130 ASN CB C 36.6 0.2 1 795 130 130 ASN N N 120.5 0.2 1 796 130 130 ASN ND2 N 109.8 0.2 1 797 131 131 ARG C C 176.5 0.2 1 798 131 131 ARG CA C 57.8 0.2 1 799 131 131 ARG CB C 30.7 0.2 1 800 131 131 ARG CG C 27.4 0.2 1 801 131 131 ARG CD C 43.1 0.2 1 802 132 132 HIS H H 9.22 0.02 1 803 132 132 HIS C C 175.3 0.2 1 804 132 132 HIS CA C 54.7 0.2 1 805 132 132 HIS CB C 33.1 0.2 1 806 132 132 HIS N N 120.7 0.2 1 807 133 133 ILE H H 8.33 0.02 1 808 133 133 ILE CA C 62.2 0.2 1 809 133 133 ILE N N 124.3 0.2 1 810 134 134 GLY HA2 H 4.51 0.02 2 811 134 134 GLY HA3 H 3.54 0.02 2 812 134 134 GLY C C 173.8 0.2 1 813 134 134 GLY CA C 44.9 0.2 1 814 135 135 ALA H H 7.15 0.02 1 815 135 135 ALA HB H 1.69 0.02 1 816 135 135 ALA C C 179.6 0.2 1 817 135 135 ALA CA C 52.7 0.2 1 818 135 135 ALA CB C 18.8 0.2 1 819 135 135 ALA N N 124.3 0.2 1 820 136 136 THR H H 9.07 0.02 1 821 136 136 THR HA H 4.88 0.02 1 822 136 136 THR HG2 H 1.40 0.02 1 823 136 136 THR C C 173.8 0.2 1 824 136 136 THR CA C 62.3 0.2 1 825 136 136 THR CB C 68.8 0.2 1 826 136 136 THR N N 113.0 0.2 1 827 137 137 LEU H H 7.14 0.02 1 828 137 137 LEU HA H 4.87 0.02 1 829 137 137 LEU C C 174.4 0.2 1 830 137 137 LEU CA C 55.1 0.2 1 831 137 137 LEU CB C 46.4 0.2 1 832 137 137 LEU CG C 25.3 0.2 1 833 137 137 LEU CD1 C 23.6 0.2 2 834 137 137 LEU CD2 C 23.6 0.2 2 835 137 137 LEU N N 122.9 0.2 1 836 138 138 VAL H H 7.92 0.02 1 837 138 138 VAL HA H 4.95 0.02 1 838 138 138 VAL HG1 H 1.22 0.02 2 839 138 138 VAL HG2 H 1.02 0.02 2 840 138 138 VAL C C 176.4 0.2 1 841 138 138 VAL CA C 59.6 0.2 1 842 138 138 VAL CB C 37.0 0.2 1 843 138 138 VAL CG1 C 23.0 0.2 2 844 138 138 VAL CG2 C 23.0 0.2 2 845 138 138 VAL N N 114.7 0.2 1 846 139 139 ASN H H 8.99 0.02 1 847 139 139 ASN HB2 H 3.11 0.02 2 848 139 139 ASN HB3 H 3.11 0.02 2 849 139 139 ASN C C 173.3 0.2 1 850 139 139 ASN CA C 55.6 0.2 1 851 139 139 ASN CB C 37.2 0.2 1 852 139 139 ASN N N 114.3 0.2 1 853 140 140 GLU H H 7.36 0.02 1 854 140 140 GLU HA H 4.77 0.02 1 855 140 140 GLU C C 175.7 0.2 1 856 140 140 GLU CA C 54.1 0.2 1 857 140 140 GLU CB C 32.6 0.2 1 858 140 140 GLU CG C 35.5 0.2 1 859 140 140 GLU N N 114.3 0.2 1 860 141 141 THR H H 8.86 0.02 1 861 141 141 THR HA H 4.03 0.02 1 862 141 141 THR HB H 3.48 0.02 1 863 141 141 THR HG2 H 1.34 0.02 1 864 141 141 THR C C 174.3 0.2 1 865 141 141 THR CA C 66.1 0.2 1 866 141 141 THR CB C 68.9 0.2 1 867 141 141 THR CG2 C 22.9 0.2 1 868 141 141 THR N N 119.8 0.2 1 869 142 142 GLY H H 9.42 0.02 1 870 142 142 GLY HA2 H 4.50 0.02 2 871 142 142 GLY HA3 H 3.43 0.02 2 872 142 142 GLY C C 172.3 0.2 1 873 142 142 GLY CA C 45.1 0.2 1 874 142 142 GLY N N 113.4 0.2 1 875 143 143 THR H H 7.89 0.02 1 876 143 143 THR HA H 5.07 0.02 1 877 143 143 THR HB H 4.64 0.02 1 878 143 143 THR HG2 H 0.90 0.02 1 879 143 143 THR C C 173.8 0.2 1 880 143 143 THR CA C 59.6 0.2 1 881 143 143 THR CB C 72.1 0.2 1 882 143 143 THR CG2 C 22.8 0.2 1 883 143 143 THR N N 106.9 0.2 1 884 144 144 LEU H H 9.36 0.02 1 885 144 144 LEU CA C 57.0 0.2 1 886 144 144 LEU CB C 44.1 0.2 1 887 144 144 LEU N N 122.0 0.2 1 888 146 146 TRP HD1 H 5.59 0.02 1 889 146 146 TRP HE1 H 9.69 0.02 1 890 146 146 TRP CB C 32.8 0.2 1 891 146 146 TRP CD1 C 128.0 0.2 1 892 146 146 TRP NE1 N 128.3 0.2 1 893 148 148 GLU HA H 4.77 0.02 1 894 148 148 GLU C C 172.7 0.2 1 895 148 148 GLU CA C 53.8 0.2 1 896 148 148 GLU CG C 37.0 0.2 1 897 149 149 LEU H H 8.54 0.02 1 898 149 149 LEU HA H 3.47 0.02 1 899 149 149 LEU C C 173.4 0.2 1 900 149 149 LEU CA C 54.1 0.2 1 901 149 149 LEU CB C 39.4 0.2 1 902 149 149 LEU CG C 26.9 0.2 1 903 149 149 LEU CD1 C 20.0 0.2 2 904 149 149 LEU CD2 C 20.0 0.2 2 905 149 149 LEU N N 131.8 0.2 1 906 150 150 LEU H H 8.35 0.02 1 907 150 150 LEU HA H 5.30 0.02 1 908 150 150 LEU C C 174.9 0.2 1 909 150 150 LEU CA C 52.1 0.2 1 910 150 150 LEU CB C 41.6 0.2 1 911 150 150 LEU CG C 26.0 0.2 1 912 150 150 LEU CD1 C 24.6 0.2 2 913 150 150 LEU CD2 C 24.6 0.2 2 914 150 150 LEU N N 130.7 0.2 1 915 151 151 THR H H 7.89 0.02 1 916 151 151 THR HA H 5.06 0.02 1 917 151 151 THR HB H 3.50 0.02 1 918 151 151 THR HG2 H 0.52 0.02 1 919 151 151 THR C C 171.5 0.2 1 920 151 151 THR CA C 57.2 0.2 1 921 151 151 THR CB C 67.9 0.2 1 922 151 151 THR CG2 C 20.3 0.2 1 923 151 151 THR N N 115.6 0.2 1 924 152 152 ASP H H 8.42 0.02 1 925 152 152 ASP HA H 4.33 0.02 1 926 152 152 ASP HB2 H 3.06 0.02 2 927 152 152 ASP HB3 H 2.73 0.02 2 928 152 152 ASP C C 176.7 0.2 1 929 152 152 ASP CA C 54.7 0.2 1 930 152 152 ASP CB C 40.1 0.2 1 931 152 152 ASP N N 125.8 0.2 1 932 153 153 LYS H H 7.08 0.02 1 933 153 153 LYS CA C 53.6 0.2 1 934 153 153 LYS CB C 34.0 0.2 1 935 153 153 LYS N N 119.3 0.2 1 936 155 155 ASP HA H 4.17 0.02 1 937 155 155 ASP HB2 H 2.63 0.02 2 938 155 155 ASP HB3 H 2.63 0.02 2 939 155 155 ASP C C 178.9 0.2 1 940 155 155 ASP CA C 58.2 0.2 1 941 155 155 ASP CB C 39.7 0.2 1 942 156 156 LEU H H 7.28 0.02 1 943 156 156 LEU HA H 4.17 0.02 1 944 156 156 LEU CA C 57.4 0.2 1 945 156 156 LEU CB C 42.8 0.2 1 946 156 156 LEU CG C 25.1 0.2 1 947 156 156 LEU CD1 C 23.6 0.2 2 948 156 156 LEU CD2 C 23.6 0.2 2 949 156 156 LEU N N 121.2 0.2 1 950 157 157 ALA H H 7.74 0.02 1 951 157 157 ALA HA H 3.83 0.02 1 952 157 157 ALA HB H 1.49 0.02 1 953 157 157 ALA C C 179.1 0.2 1 954 157 157 ALA CA C 56.1 0.2 1 955 157 157 ALA CB C 19.1 0.2 1 956 157 157 ALA N N 120.0 0.2 1 957 158 158 LEU H H 9.05 0.02 1 958 158 158 LEU HA H 4.11 0.02 1 959 158 158 LEU HB2 H 1.78 0.02 2 960 158 158 LEU HB3 H 1.62 0.02 2 961 158 158 LEU HG H 1.12 0.02 1 962 158 158 LEU HD1 H 0.51 0.02 2 963 158 158 LEU HD2 H -0.01 0.02 2 964 158 158 LEU C C 179.9 0.2 1 965 158 158 LEU CA C 58.6 0.2 1 966 158 158 LEU CB C 39.8 0.2 1 967 158 158 LEU CG C 24.8 0.2 1 968 158 158 LEU CD1 C 22.7 0.2 2 969 158 158 LEU CD2 C 22.7 0.2 2 970 158 158 LEU N N 116.3 0.2 1 971 159 159 ALA H H 7.61 0.02 1 972 159 159 ALA HA H 4.39 0.02 1 973 159 159 ALA HB H 1.60 0.02 1 974 159 159 ALA CA C 55.3 0.2 1 975 159 159 ALA CB C 18.1 0.2 1 976 159 159 ALA N N 119.7 0.2 1 977 160 160 PHE H H 7.26 0.02 1 978 160 160 PHE HB2 H 3.44 0.02 2 979 160 160 PHE HB3 H 3.00 0.02 2 980 160 160 PHE HD1 H 5.75 0.02 3 981 160 160 PHE HD2 H 5.75 0.02 3 982 160 160 PHE C C 176.4 0.2 1 983 160 160 PHE CA C 60.9 0.2 1 984 160 160 PHE CB C 38.1 0.2 1 985 160 160 PHE N N 119.7 0.2 1 986 161 161 TYR H H 8.40 0.02 1 987 161 161 TYR HA H 3.88 0.02 1 988 161 161 TYR HB2 H 3.19 0.02 2 989 161 161 TYR HB3 H 2.88 0.02 2 990 161 161 TYR HD1 H 7.13 0.02 3 991 161 161 TYR HD2 H 7.13 0.02 3 992 161 161 TYR C C 179.0 0.2 1 993 161 161 TYR CA C 64.4 0.2 1 994 161 161 TYR CB C 38.3 0.2 1 995 161 161 TYR N N 117.1 0.2 1 996 162 162 GLU H H 8.31 0.02 1 997 162 162 GLU HA H 4.44 0.02 1 998 162 162 GLU CA C 60.7 0.2 1 999 162 162 GLU CB C 29.8 0.2 1 1000 162 162 GLU CG C 36.2 0.2 1 1001 162 162 GLU N N 123.0 0.2 1 1002 163 163 ALA H H 7.53 0.02 1 1003 163 163 ALA HA H 4.11 0.02 1 1004 163 163 ALA HB H 1.50 0.02 1 1005 163 163 ALA C C 179.6 0.2 1 1006 163 163 ALA CA C 55.0 0.2 1 1007 163 163 ALA CB C 18.7 0.2 1 1008 163 163 ALA N N 121.2 0.2 1 1009 164 164 VAL H H 8.24 0.02 1 1010 164 164 VAL HA H 3.76 0.02 1 1011 164 164 VAL HG1 H 0.47 0.02 2 1012 164 164 VAL HG2 H 0.15 0.02 2 1013 164 164 VAL C C 176.0 0.2 1 1014 164 164 VAL CA C 65.5 0.2 1 1015 164 164 VAL CB C 34.1 0.2 1 1016 164 164 VAL CG1 C 21.7 0.2 2 1017 164 164 VAL CG2 C 21.7 0.2 2 1018 164 164 VAL N N 113.1 0.2 1 1019 165 165 VAL H H 7.43 0.02 1 1020 165 165 VAL HA H 4.55 0.02 1 1021 165 165 VAL HB H 2.41 0.02 1 1022 165 165 VAL HG1 H 1.03 0.02 2 1023 165 165 VAL HG2 H 1.03 0.02 2 1024 165 165 VAL CA C 60.8 0.2 1 1025 165 165 VAL CB C 34.0 0.2 1 1026 165 165 VAL CG1 C 23.2 0.2 2 1027 165 165 VAL CG2 C 21.3 0.2 2 1028 165 165 VAL N N 109.2 0.2 1 1029 166 166 GLY H H 7.58 0.02 1 1030 166 166 GLY HA2 H 4.26 0.02 2 1031 166 166 GLY HA3 H 4.11 0.02 2 1032 166 166 GLY C C 174.9 0.2 1 1033 166 166 GLY CA C 46.2 0.2 1 1034 166 166 GLY N N 109.5 0.2 1 1035 167 167 LEU H H 6.76 0.02 1 1036 167 167 LEU HA H 4.74 0.02 1 1037 167 167 LEU C C 176.9 0.2 1 1038 167 167 LEU CA C 55.4 0.2 1 1039 167 167 LEU CB C 44.8 0.2 1 1040 167 167 LEU N N 122.0 0.2 1 1041 168 168 THR H H 8.74 0.02 1 1042 168 168 THR HA H 4.84 0.02 1 1043 168 168 THR HB H 4.46 0.02 1 1044 168 168 THR HG2 H 1.23 0.02 1 1045 168 168 THR C C 173.8 0.2 1 1046 168 168 THR CA C 60.2 0.2 1 1047 168 168 THR CB C 70.8 0.2 1 1048 168 168 THR CG2 C 21.7 0.2 1 1049 168 168 THR N N 114.2 0.2 1 1050 169 169 HIS H H 8.27 0.02 1 1051 169 169 HIS HA H 6.02 0.02 1 1052 169 169 HIS HB2 H 2.96 0.02 2 1053 169 169 HIS HB3 H 2.96 0.02 2 1054 169 169 HIS C C 174.1 0.2 1 1055 169 169 HIS CA C 55.6 0.2 1 1056 169 169 HIS CB C 33.1 0.2 1 1057 169 169 HIS N N 113.1 0.2 1 1058 170 170 SER H H 8.82 0.02 1 1059 170 170 SER HA H 4.71 0.02 1 1060 170 170 SER HB2 H 3.80 0.02 2 1061 170 170 SER HB3 H 3.80 0.02 2 1062 170 170 SER CA C 57.2 0.2 1 1063 170 170 SER CB C 65.9 0.2 1 1064 170 170 SER N N 115.1 0.2 1 1065 171 171 SER H H 8.76 0.02 1 1066 171 171 SER HA H 5.31 0.02 1 1067 171 171 SER HB2 H 3.87 0.02 2 1068 171 171 SER HB3 H 3.87 0.02 2 1069 171 171 SER C C 173.8 0.2 1 1070 171 171 SER CA C 58.5 0.2 1 1071 171 171 SER CB C 64.9 0.2 1 1072 171 171 SER N N 118.7 0.2 1 1073 172 172 MET H H 9.08 0.02 1 1074 172 172 MET HA H 4.78 0.02 1 1075 172 172 MET CA C 54.7 0.2 1 1076 172 172 MET CB C 35.4 0.2 1 1077 172 172 MET CG C 31.3 0.2 1 1078 172 172 MET N N 123.9 0.2 1 1079 173 173 GLU H H 8.66 0.02 1 1080 173 173 GLU HA H 4.85 0.02 1 1081 173 173 GLU CA C 56.2 0.2 1 1082 173 173 GLU CB C 30.0 0.2 1 1083 173 173 GLU CG C 37.2 0.2 1 1084 173 173 GLU N N 123.8 0.2 1 1085 174 174 ILE H H 8.22 0.02 1 1086 174 174 ILE HA H 4.19 0.02 1 1087 174 174 ILE CA C 62.0 0.2 1 1088 174 174 ILE CB C 38.8 0.2 1 1089 174 174 ILE CG1 C 27.1 0.2 1 1090 174 174 ILE CG2 C 17.8 0.2 1 1091 174 174 ILE CD1 C 13.1 0.2 1 1092 174 174 ILE N N 123.4 0.2 1 1093 175 175 ALA H H 8.09 0.02 1 1094 175 175 ALA HB H 1.39 0.02 1 1095 175 175 ALA C C 176.4 0.2 1 1096 175 175 ALA CA C 51.4 0.2 1 1097 175 175 ALA CB C 20.6 0.2 1 1098 175 175 ALA N N 122.6 0.2 1 1099 176 176 ALA H H 8.44 0.02 1 1100 176 176 ALA HB H 1.37 0.02 1 1101 176 176 ALA C C 179.0 0.2 1 1102 176 176 ALA CA C 54.1 0.2 1 1103 176 176 ALA CB C 17.9 0.2 1 1104 176 176 ALA N N 122.8 0.2 1 1105 177 177 GLY H H 8.80 0.02 1 1106 177 177 GLY HA2 H 4.13 0.02 2 1107 177 177 GLY HA3 H 3.80 0.02 2 1108 177 177 GLY C C 173.9 0.2 1 1109 177 177 GLY CA C 46.0 0.2 1 1110 177 177 GLY N N 111.1 0.2 1 1111 178 178 GLN H H 8.24 0.02 1 1112 178 178 GLN CA C 55.0 0.2 1 1113 178 178 GLN CB C 30.4 0.2 1 1114 178 178 GLN N N 121.1 0.2 1 1115 179 179 ASN HA H 5.18 0.02 1 1116 179 179 ASN HB2 H 2.71 0.02 2 1117 179 179 ASN HB3 H 2.71 0.02 2 1118 179 179 ASN C C 174.3 0.2 1 1119 179 179 ASN CA C 53.1 0.2 1 1120 179 179 ASN CB C 40.1 0.2 1 1121 180 180 TYR H H 9.15 0.02 1 1122 180 180 TYR HA H 4.66 0.02 1 1123 180 180 TYR HB2 H 2.97 0.02 2 1124 180 180 TYR HB3 H 2.85 0.02 2 1125 180 180 TYR C C 174.2 0.2 1 1126 180 180 TYR CA C 58.5 0.2 1 1127 180 180 TYR CB C 43.0 0.2 1 1128 180 180 TYR N N 127.0 0.2 1 1129 181 181 ARG H H 7.56 0.02 1 1130 181 181 ARG CA C 55.0 0.2 1 1131 181 181 ARG CB C 31.4 0.2 1 1132 181 181 ARG CG C 27.6 0.2 1 1133 181 181 ARG CD C 44.0 0.2 1 1134 181 181 ARG N N 125.5 0.2 1 1135 182 182 VAL H H 8.75 0.02 1 1136 182 182 VAL HA H 4.76 0.02 1 1137 182 182 VAL HB H 2.19 0.02 1 1138 182 182 VAL HG1 H 1.26 0.02 2 1139 182 182 VAL HG2 H 1.26 0.02 2 1140 182 182 VAL C C 175.5 0.2 1 1141 182 182 VAL CA C 61.4 0.2 1 1142 182 182 VAL CB C 33.8 0.2 1 1143 182 182 VAL CG1 C 21.7 0.2 2 1144 182 182 VAL CG2 C 21.7 0.2 2 1145 182 182 VAL N N 121.9 0.2 1 1146 183 183 LEU H H 8.78 0.02 1 1147 183 183 LEU HA H 4.95 0.02 1 1148 183 183 LEU C C 176.6 0.2 1 1149 183 183 LEU CA C 54.0 0.2 1 1150 183 183 LEU CB C 43.2 0.2 1 1151 183 183 LEU CG C 25.9 0.2 1 1152 183 183 LEU CD1 C 24.1 0.2 2 1153 183 183 LEU CD2 C 24.1 0.2 2 1154 183 183 LEU N N 126.4 0.2 1 1155 184 184 LYS H H 8.90 0.02 1 1156 184 184 LYS HA H 5.40 0.02 1 1157 184 184 LYS C C 174.4 0.2 1 1158 184 184 LYS CA C 55.0 0.2 1 1159 184 184 LYS CB C 35.0 0.2 1 1160 184 184 LYS CG C 25.0 0.2 1 1161 184 184 LYS CD C 29.2 0.2 1 1162 184 184 LYS N N 121.7 0.2 1 1163 185 185 ALA H H 8.23 0.02 1 1164 185 185 ALA HB H 1.22 0.02 1 1165 185 185 ALA C C 177.7 0.2 1 1166 185 185 ALA CA C 50.2 0.2 1 1167 185 185 ALA CB C 19.6 0.2 1 1168 185 185 ALA N N 125.9 0.2 1 1169 186 186 GLY H H 9.01 0.02 1 1170 186 186 GLY HA2 H 3.93 0.02 2 1171 186 186 GLY HA3 H 3.64 0.02 2 1172 186 186 GLY CA C 47.1 0.2 1 1173 186 186 GLY N N 115.1 0.2 1 1174 187 187 ASP H H 8.57 0.02 1 1175 187 187 ASP HA H 4.59 0.02 1 1176 187 187 ASP HB2 H 2.73 0.02 2 1177 187 187 ASP HB3 H 2.73 0.02 2 1178 187 187 ASP C C 175.4 0.2 1 1179 187 187 ASP CA C 54.3 0.2 1 1180 187 187 ASP CB C 41.3 0.2 1 1181 187 187 ASP N N 124.8 0.2 1 1182 188 188 ALA H H 7.65 0.02 1 1183 188 188 ALA C C 176.3 0.2 1 1184 188 188 ALA CA C 51.6 0.2 1 1185 188 188 ALA CB C 20.6 0.2 1 1186 188 188 ALA N N 123.3 0.2 1 1187 189 189 GLU H H 8.71 0.02 1 1188 189 189 GLU C C 178.3 0.2 1 1189 189 189 GLU CA C 56.9 0.2 1 1190 189 189 GLU CG C 37.0 0.2 1 1191 189 189 GLU N N 122.1 0.2 1 1192 190 190 VAL H H 8.91 0.02 1 1193 190 190 VAL HA H 4.89 0.02 1 1194 190 190 VAL HG1 H 1.06 0.02 2 1195 190 190 VAL HG2 H 0.65 0.02 2 1196 190 190 VAL C C 174.1 0.2 1 1197 190 190 VAL CA C 61.0 0.2 1 1198 190 190 VAL CG1 C 22.2 0.2 2 1199 190 190 VAL CG2 C 18.2 0.2 2 1200 190 190 VAL N N 114.4 0.2 1 1201 191 191 GLY H H 7.19 0.02 1 1202 191 191 GLY HA2 H 3.62 0.02 2 1203 191 191 GLY HA3 H 1.97 0.02 2 1204 191 191 GLY C C 171.7 0.2 1 1205 191 191 GLY CA C 44.7 0.2 1 1206 191 191 GLY N N 107.5 0.2 1 1207 192 192 GLY H H 7.73 0.02 1 1208 192 192 GLY HA2 H 5.56 0.02 2 1209 192 192 GLY HA3 H 4.30 0.02 2 1210 192 192 GLY C C 172.3 0.2 1 1211 192 192 GLY CA C 43.6 0.2 1 1212 192 192 GLY N N 106.1 0.2 1 1213 193 193 CYS H H 8.12 0.02 1 1214 193 193 CYS CA C 56.9 0.2 1 1215 193 193 CYS CB C 29.0 0.2 1 1216 193 193 CYS N N 119.1 0.2 1 1217 194 194 MET H H 8.59 0.02 1 1218 194 194 MET HA H 4.57 0.02 1 1219 194 194 MET CA C 54.7 0.2 1 1220 194 194 MET CB C 35.7 0.2 1 1221 194 194 MET CG C 31.0 0.2 1 1222 194 194 MET N N 124.6 0.2 1 1223 195 195 GLU H H 8.57 0.02 1 1224 195 195 GLU CA C 55.2 0.2 1 1225 195 195 GLU CB C 28.1 0.2 1 1226 195 195 GLU N N 119.4 0.2 1 1227 197 197 PRO HA H 4.49 0.02 1 1228 197 197 PRO C C 176.1 0.2 1 1229 197 197 PRO CA C 64.1 0.2 1 1230 197 197 PRO CB C 32.2 0.2 1 1231 197 197 PRO CG C 27.2 0.2 1 1232 197 197 PRO CD C 51.4 0.2 1 1233 198 198 MET H H 7.29 0.02 1 1234 198 198 MET CA C 52.6 0.2 1 1235 198 198 MET CB C 34.0 0.2 1 1236 198 198 MET N N 116.3 0.2 1 1237 199 199 PRO HA H 4.53 0.02 1 1238 199 199 PRO C C 177.5 0.2 1 1239 199 199 PRO CA C 63.0 0.2 1 1240 199 199 PRO CB C 32.3 0.2 1 1241 199 199 PRO CG C 27.2 0.2 1 1242 199 199 PRO CD C 50.8 0.2 1 1243 200 200 GLY H H 8.69 0.02 1 1244 200 200 GLY HA2 H 4.10 0.02 2 1245 200 200 GLY HA3 H 3.73 0.02 2 1246 200 200 GLY C C 174.6 0.2 1 1247 200 200 GLY CA C 45.8 0.2 1 1248 200 200 GLY N N 108.8 0.2 1 1249 201 201 VAL H H 7.47 0.02 1 1250 201 201 VAL CA C 59.5 0.2 1 1251 201 201 VAL CB C 33.3 0.2 1 1252 201 201 VAL N N 121.2 0.2 1 1253 202 202 PRO HA H 4.57 0.02 1 1254 202 202 PRO C C 176.3 0.2 1 1255 202 202 PRO CA C 62.5 9.2 1 1256 202 202 PRO CB C 32.8 0.2 1 1257 202 202 PRO CG C 27.2 0.2 1 1258 203 203 ASN H H 8.83 0.02 1 1259 203 203 ASN HA H 5.28 0.02 1 1260 203 203 ASN C C 176.3 0.2 1 1261 203 203 ASN CA C 53.4 0.2 1 1262 203 203 ASN CB C 37.2 0.2 1 1263 203 203 ASN N N 123.4 0.2 1 1264 204 204 HIS H H 9.25 0.02 1 1265 204 204 HIS C C 172.3 0.2 1 1266 204 204 HIS CA C 56.3 0.2 1 1267 204 204 HIS CB C 30.3 0.2 1 1268 204 204 HIS N N 119.4 0.2 1 1269 205 205 TRP H H 9.89 0.02 1 1270 205 205 TRP HD1 H 7.03 0.02 1 1271 205 205 TRP HE1 H 9.67 0.02 1 1272 205 205 TRP HZ2 H 6.02 0.02 1 1273 205 205 TRP HH2 H 6.26 0.02 1 1274 205 205 TRP C C 175.5 0.2 1 1275 205 205 TRP CA C 58.2 0.2 1 1276 205 205 TRP CB C 28.6 0.2 1 1277 205 205 TRP CD1 C 126.0 0.2 1 1278 205 205 TRP CZ2 C 113.7 0.2 1 1279 205 205 TRP CH2 C 123.4 0.2 1 1280 205 205 TRP N N 123.1 0.2 1 1281 205 205 TRP NE1 N 127.7 0.2 1 1282 206 206 HIS H H 10.39 0.02 1 1283 206 206 HIS HB2 H 3.43 0.02 2 1284 206 206 HIS HB3 H 2.79 0.02 2 1285 206 206 HIS C C 175.8 0.2 1 1286 206 206 HIS CA C 56.4 0.2 1 1287 206 206 HIS CB C 34.1 0.2 1 1288 206 206 HIS N N 131.4 0.2 1 1289 207 207 VAL H H 8.46 0.02 1 1290 207 207 VAL HA H 4.17 0.02 1 1291 207 207 VAL HG1 H 0.80 0.02 2 1292 207 207 VAL HG2 H 0.15 0.02 2 1293 207 207 VAL C C 173.2 0.2 1 1294 207 207 VAL CA C 63.4 0.2 1 1295 207 207 VAL CB C 34.0 0.2 1 1296 207 207 VAL CG1 C 22.2 0.2 2 1297 207 207 VAL CG2 C 22.2 0.2 2 1298 207 207 VAL N N 130.5 0.2 1 1299 208 208 TYR H H 8.01 0.02 1 1300 208 208 TYR HB2 H 3.35 0.02 2 1301 208 208 TYR HB3 H 2.28 0.02 2 1302 208 208 TYR HD1 H 6.97 0.02 3 1303 208 208 TYR HD2 H 6.97 0.02 3 1304 208 208 TYR HE1 H 6.57 0.02 3 1305 208 208 TYR HE2 H 6.57 0.02 3 1306 208 208 TYR CA C 55.8 0.2 1 1307 208 208 TYR CB C 41.0 0.2 1 1308 208 208 TYR CD1 C 133.5 0.2 3 1309 208 208 TYR CD2 C 133.5 0.2 3 1310 208 208 TYR CE1 C 118.2 0.2 3 1311 208 208 TYR CE2 C 118.2 0.2 3 1312 208 208 TYR N N 120.8 0.2 1 1313 209 209 PHE H H 8.70 0.02 1 1314 209 209 PHE HB2 H 2.50 0.02 2 1315 209 209 PHE HB3 H 2.34 0.02 2 1316 209 209 PHE HD1 H 6.68 0.02 3 1317 209 209 PHE HD2 H 6.68 0.02 3 1318 209 209 PHE C C 176.0 0.2 1 1319 209 209 PHE CA C 56.7 0.2 1 1320 209 209 PHE CB C 43.0 0.2 1 1321 209 209 PHE CD1 C 131.1 0.2 3 1322 209 209 PHE CD2 C 131.1 0.2 3 1323 209 209 PHE N N 121.7 0.2 1 1324 210 210 ALA H H 8.95 0.02 1 1325 210 210 ALA HA H 5.46 0.02 1 1326 210 210 ALA HB H 1.44 0.02 1 1327 210 210 ALA C C 177.9 0.2 1 1328 210 210 ALA CA C 51.6 0.2 1 1329 210 210 ALA CB C 19.3 0.2 1 1330 210 210 ALA N N 125.2 0.2 1 1331 211 211 VAL H H 8.28 0.02 1 1332 211 211 VAL HA H 5.04 0.02 1 1333 211 211 VAL HG1 H 1.32 0.02 2 1334 211 211 VAL HG2 H 0.66 0.02 2 1335 211 211 VAL CA C 59.2 0.2 1 1336 211 211 VAL CB C 36.9 0.2 1 1337 211 211 VAL CG1 C 24.7 0.2 2 1338 211 211 VAL CG2 C 16.7 0.2 2 1339 211 211 VAL N N 111.2 0.2 1 1340 212 212 ASP H H 8.57 0.02 1 1341 212 212 ASP HA H 4.74 0.02 1 1342 212 212 ASP HB2 H 2.73 0.02 2 1343 212 212 ASP HB3 H 2.56 0.02 2 1344 212 212 ASP C C 177.2 0.2 1 1345 212 212 ASP CA C 56.1 0.2 1 1346 212 212 ASP CB C 41.5 0.2 1 1347 212 212 ASP N N 119.4 0.2 1 1348 213 213 ASP H H 7.78 0.02 1 1349 213 213 ASP CA C 54.6 0.2 1 1350 213 213 ASP CB C 42.8 0.2 1 1351 213 213 ASP N N 117.5 0.2 1 1352 216 216 ALA HA H 4.13 0.02 1 1353 216 216 ALA HB H 1.41 0.02 1 1354 216 216 ALA C C 181.3 0.2 1 1355 216 216 ALA CA C 54.4 0.2 1 1356 216 216 ALA CB C 18.2 0.2 1 1357 217 217 THR H H 8.09 0.02 1 1358 217 217 THR HA H 4.07 0.02 1 1359 217 217 THR HB H 3.84 0.02 1 1360 217 217 THR HG2 H 1.23 0.02 1 1361 217 217 THR C C 175.3 0.2 1 1362 217 217 THR CA C 68.1 0.2 1 1363 217 217 THR CB C 68.1 0.2 1 1364 217 217 THR CG2 C 22.8 0.2 1 1365 217 217 THR N N 115.9 0.2 1 1366 218 218 ALA H H 8.16 0.02 1 1367 218 218 ALA HA H 3.93 0.02 1 1368 218 218 ALA HB H 1.37 0.02 1 1369 218 218 ALA C C 177.9 0.2 1 1370 218 218 ALA CA C 55.7 0.2 1 1371 218 218 ALA CB C 17.2 0.2 1 1372 218 218 ALA N N 124.2 0.2 1 1373 219 219 ALA H H 7.46 0.02 1 1374 219 219 ALA HA H 4.12 0.02 1 1375 219 219 ALA HB H 1.46 0.02 1 1376 219 219 ALA C C 181.2 0.2 1 1377 219 219 ALA CA C 55.0 0.2 1 1378 219 219 ALA CB C 17.8 0.2 1 1379 219 219 ALA N N 118.1 0.2 1 1380 220 220 LYS H H 8.06 0.02 1 1381 220 220 LYS HA H 3.91 0.02 1 1382 220 220 LYS CA C 59.3 0.2 1 1383 220 220 LYS CB C 32.5 0.2 1 1384 220 220 LYS CG C 25.2 0.2 1 1385 220 220 LYS CD C 29.3 0.2 1 1386 220 220 LYS CE C 42.0 0.2 1 1387 220 220 LYS N N 121.4 0.2 1 1388 221 221 ALA H H 8.50 0.02 1 1389 221 221 ALA HA H 3.89 0.02 1 1390 221 221 ALA HB H 1.50 0.02 1 1391 221 221 ALA C C 179.8 0.2 1 1392 221 221 ALA CA C 55.1 0.2 1 1393 221 221 ALA CB C 18.9 0.2 1 1394 221 221 ALA N N 121.4 0.2 1 1395 222 222 ALA H H 7.63 0.02 1 1396 222 222 ALA CA C 54.3 0.2 1 1397 222 222 ALA CB C 17.9 0.2 1 1398 222 222 ALA N N 119.8 0.2 1 1399 223 223 ALA H H 7.87 0.02 1 1400 223 223 ALA HA H 4.20 0.02 1 1401 223 223 ALA HB H 1.48 0.02 1 1402 223 223 ALA CA C 54.5 0.2 1 1403 223 223 ALA CB C 18.0 0.2 1 1404 223 223 ALA N N 121.3 0.2 1 1405 224 224 ALA H H 7.67 0.02 1 1406 224 224 ALA HB H 1.55 0.02 1 1407 224 224 ALA C C 176.9 0.2 1 1408 224 224 ALA CA C 51.8 0.2 1 1409 224 224 ALA CB C 18.8 0.2 1 1410 224 224 ALA N N 118.7 0.2 1 1411 225 225 GLY H H 7.56 0.02 1 1412 225 225 GLY HA2 H 4.40 0.02 2 1413 225 225 GLY HA3 H 3.84 0.02 2 1414 225 225 GLY C C 175.7 0.2 1 1415 225 225 GLY CA C 45.5 0.2 1 1416 225 225 GLY N N 105.2 0.2 1 1417 226 226 GLY H H 8.44 0.02 1 1418 226 226 GLY HA2 H 3.80 0.02 2 1419 226 226 GLY HA3 H 3.56 0.02 2 1420 226 226 GLY CA C 43.1 0.2 1 1421 226 226 GLY N N 108.5 0.2 1 1422 227 227 GLN H H 8.28 0.02 1 1423 227 227 GLN HA H 4.66 0.02 1 1424 227 227 GLN C C 174.5 0.2 1 1425 227 227 GLN CA C 54.3 0.2 1 1426 227 227 GLN CB C 33.1 0.2 1 1427 227 227 GLN CG C 33.7 0.2 1 1428 227 227 GLN N N 114.5 0.2 1 1429 228 228 VAL H H 8.75 0.02 1 1430 228 228 VAL HA H 4.06 0.02 1 1431 228 228 VAL HG1 H 0.84 0.02 2 1432 228 228 VAL HG2 H 0.70 0.02 2 1433 228 228 VAL C C 175.7 0.2 1 1434 228 228 VAL CA C 62.6 0.2 1 1435 228 228 VAL CB C 30.9 0.2 1 1436 228 228 VAL CG1 C 21.7 0.2 2 1437 228 228 VAL CG2 C 20.9 0.2 2 1438 228 228 VAL N N 122.9 0.2 1 1439 229 229 ILE H H 8.55 0.02 1 1440 229 229 ILE CA C 61.7 0.2 1 1441 229 229 ILE CB C 37.3 0.2 1 1442 229 229 ILE CG2 C 16.7 0.2 1 1443 229 229 ILE CD1 C 11.5 0.2 1 1444 229 229 ILE N N 131.3 0.2 1 1445 230 230 ALA H H 8.11 0.02 1 1446 230 230 ALA N N 122.9 0.2 1 1447 231 231 GLU H H 8.31 0.02 1 1448 231 231 GLU N N 121.3 0.2 1 1449 232 232 PRO C C 174.6 0.2 1 1450 232 232 PRO CA C 63.2 0.2 1 1451 232 232 PRO CB C 31.4 0.2 1 1452 232 232 PRO CG C 27.9 0.2 1 1453 232 232 PRO CD C 47.2 0.2 1 1454 233 233 ALA H H 8.45 0.02 1 1455 233 233 ALA HB H 1.23 0.02 1 1456 233 233 ALA C C 175.0 0.2 1 1457 233 233 ALA CA C 51.1 0.2 1 1458 233 233 ALA CB C 22.4 0.2 1 1459 233 233 ALA N N 125.0 0.2 1 1460 234 234 ASP H H 8.50 0.02 1 1461 234 234 ASP HA H 5.28 0.02 1 1462 234 234 ASP HB2 H 2.48 0.02 2 1463 234 234 ASP HB3 H 2.48 0.02 2 1464 234 234 ASP C C 177.1 0.2 1 1465 234 234 ASP CA C 54.6 0.2 1 1466 234 234 ASP CB C 43.2 0.2 1 1467 234 234 ASP N N 118.8 0.2 1 1468 235 235 ILE H H 9.09 0.02 1 1469 235 235 ILE CA C 58.7 0.2 1 1470 235 235 ILE CB C 40.7 0.2 1 1471 235 235 ILE N N 122.9 0.2 1 1472 236 236 PRO HA H 4.26 0.02 1 1473 236 236 PRO C C 176.7 0.2 1 1474 236 236 PRO CA C 64.8 0.2 1 1475 236 236 PRO CB C 32.1 0.2 1 1476 237 237 SER H H 8.57 0.02 1 1477 237 237 SER CA C 61.3 0.2 1 1478 237 237 SER CB C 63.2 0.2 1 1479 237 237 SER N N 114.1 0.2 1 1480 238 238 VAL H H 7.80 0.02 1 1481 238 238 VAL HA H 3.92 0.02 1 1482 238 238 VAL HG1 H 0.29 0.02 2 1483 238 238 VAL HG2 H 0.10 0.02 2 1484 238 238 VAL C C 176.1 0.2 1 1485 238 238 VAL CA C 64.1 0.2 1 1486 238 238 VAL CG1 C 21.1 0.2 2 1487 238 238 VAL CG2 C 19.7 0.2 2 1488 238 238 VAL N N 120.2 0.2 1 1489 239 239 GLY H H 8.15 0.02 1 1490 239 239 GLY CA C 45.7 0.2 1 1491 239 239 GLY N N 106.8 0.2 1 1492 240 240 ARG C C 174.6 0.2 1 1493 240 240 ARG CA C 54.8 0.2 1 1494 240 240 ARG CB C 28.0 0.2 1 1495 241 241 PHE H H 9.57 0.02 1 1496 241 241 PHE N N 126.2 0.2 1 1497 242 242 ALA H H 8.50 0.02 1 1498 242 242 ALA CA C 54.2 0.2 1 1499 242 242 ALA CB C 22.6 0.2 1 1500 242 242 ALA N N 121.1 0.2 1 1501 243 243 VAL H H 7.87 0.02 1 1502 243 243 VAL HA H 4.79 0.02 1 1503 243 243 VAL HG1 H 1.09 0.02 2 1504 243 243 VAL HG2 H 0.95 0.02 2 1505 243 243 VAL C C 175.1 0.2 1 1506 243 243 VAL CA C 62.3 0.2 1 1507 243 243 VAL CG1 C 21.3 0.2 2 1508 243 243 VAL CG2 C 20.1 0.2 2 1509 243 243 VAL N N 121.3 0.2 1 1510 244 244 LEU H H 9.21 0.02 1 1511 244 244 LEU HA H 5.14 0.02 1 1512 244 244 LEU C C 173.9 0.2 1 1513 244 244 LEU CA C 52.9 0.2 1 1514 244 244 LEU CB C 45.7 0.2 1 1515 244 244 LEU CG C 26.7 0.2 1 1516 244 244 LEU CD1 C 25.2 0.2 2 1517 244 244 LEU CD2 C 25.2 0.2 2 1518 244 244 LEU N N 128.5 0.2 1 1519 245 245 SER H H 8.54 0.02 1 1520 245 245 SER CA C 55.7 0.2 1 1521 245 245 SER CB C 66.8 0.2 1 1522 245 245 SER N N 110.1 0.2 1 1523 246 246 ASP H H 8.70 0.02 1 1524 246 246 ASP N N 123.4 0.2 1 1525 247 247 PRO HA H 4.16 0.02 1 1526 247 247 PRO C C 176.5 0.2 1 1527 247 247 PRO CA C 65.0 0.2 1 1528 247 247 PRO CB C 30.6 0.2 1 1529 247 247 PRO CG C 28.0 0.2 1 1530 248 248 GLN H H 7.50 0.02 1 1531 248 248 GLN HA H 4.27 0.02 1 1532 248 248 GLN C C 175.7 0.2 1 1533 248 248 GLN CA C 57.6 0.2 1 1534 248 248 GLN CB C 28.8 0.2 1 1535 248 248 GLN CG C 36.1 0.2 1 1536 248 248 GLN N N 115.3 0.2 1 1537 249 249 GLY H H 7.95 0.02 1 1538 249 249 GLY HA2 H 4.43 0.02 2 1539 249 249 GLY HA3 H 3.57 0.02 2 1540 249 249 GLY C C 174.6 0.2 1 1541 249 249 GLY CA C 44.8 0.2 1 1542 249 249 GLY N N 107.8 0.2 1 1543 250 250 ALA H H 8.54 0.02 1 1544 250 250 ALA HB H 1.49 0.02 1 1545 250 250 ALA CA C 53.2 0.2 1 1546 250 250 ALA CB C 20.2 0.2 1 1547 250 250 ALA N N 127.9 0.2 1 1548 251 251 ILE H H 7.82 0.02 1 1549 251 251 ILE HA H 5.40 0.02 1 1550 251 251 ILE C C 176.9 0.2 1 1551 251 251 ILE CA C 60.8 0.2 1 1552 251 251 ILE CB C 40.2 0.2 1 1553 251 251 ILE CG1 C 27.6 0.2 1 1554 251 251 ILE CG2 C 18.1 0.2 1 1555 251 251 ILE CD1 C 13.3 0.2 1 1556 251 251 ILE N N 120.2 0.2 1 1557 252 252 PHE H H 9.04 0.02 1 1558 252 252 PHE HB2 H 3.33 0.02 2 1559 252 252 PHE HB3 H 2.82 0.02 2 1560 252 252 PHE HD1 H 7.46 0.02 3 1561 252 252 PHE HD2 H 7.46 0.02 3 1562 252 252 PHE C C 171.7 0.2 1 1563 252 252 PHE CA C 56.9 0.2 1 1564 252 252 PHE CB C 39.8 0.2 1 1565 252 252 PHE N N 123.3 0.2 1 1566 253 253 SER H H 8.93 0.02 1 1567 253 253 SER C C 173.8 0.2 1 1568 253 253 SER CA C 57.8 0.2 1 1569 253 253 SER CB C 68.1 0.2 1 1570 253 253 SER N N 114.3 0.2 1 1571 254 254 VAL H H 8.80 0.02 1 1572 254 254 VAL HA H 6.17 0.02 1 1573 254 254 VAL HG1 H 1.42 0.02 2 1574 254 254 VAL HG2 H 1.02 0.02 2 1575 254 254 VAL C C 174.6 0.2 1 1576 254 254 VAL CA C 57.9 0.2 1 1577 254 254 VAL CB C 34.5 0.2 1 1578 254 254 VAL CG1 C 23.1 0.2 2 1579 254 254 VAL CG2 C 17.8 0.2 2 1580 254 254 VAL N N 112.4 0.2 1 1581 255 255 LEU H H 8.97 0.02 1 1582 255 255 LEU HA H 5.36 0.02 1 1583 255 255 LEU C C 174.6 0.2 1 1584 255 255 LEU CA C 53.4 0.2 1 1585 255 255 LEU CB C 48.5 0.2 1 1586 255 255 LEU N N 123.1 0.2 1 1587 256 256 LYS H H 9.57 0.02 1 1588 256 256 LYS HA H 4.47 0.02 1 1589 256 256 LYS CA C 52.3 0.2 1 1590 256 256 LYS CB C 33.9 0.2 1 1591 256 256 LYS N N 130.5 0.2 1 1592 257 257 PRO C C 175.8 0.2 1 1593 257 257 PRO CA C 63.0 0.2 1 1594 257 257 PRO CB C 32.7 0.2 1 1595 257 257 PRO CG C 27.4 0.2 1 1596 258 258 ALA H H 7.91 0.02 1 1597 258 258 ALA CA C 50.2 0.2 1 1598 258 258 ALA CB C 17.5 0.2 1 1599 258 258 ALA N N 126.1 0.2 1 stop_ save_