data_17416 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Aquifex aeolicus LpxC/CHIR-090 complex ; _BMRB_accession_number 17416 _BMRB_flat_file_name bmr17416.str _Entry_type original _Submission_date 2011-01-19 _Accession_date 2011-01-19 _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 Zhou Pei . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1689 "13C chemical shifts" 1095 "15N chemical shifts" 266 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-02-16 original author . stop_ _Original_release_date 2011-02-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure of the deacetylase LpxC bound to the antibiotic CHIR-090: Time-dependent inhibition and specificity in ligand binding' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18025458 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Barb Adam W. . 2 Jiang Ling . . 3 Raetz Christian R.H. . 4 Zhou Pei . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_volume 104 _Journal_issue 47 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 18433 _Page_last 18438 _Year 2007 _Details . loop_ _Keyword antibiotic CHIR-090 'lipid A' LpxC stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name LpxC/CHIR-090 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label AaLpxC $AaLpxC CHIR-090 $C90 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_AaLpxC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common AaLpxC _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 274 _Mol_residue_sequence ; MGLEKTVKEKLSFEGVGIHT GEYSKLIIHPEKEGTGIRFF KNGVYIPARHEFVVHTNHST DLGFKGQRIKTVEHILSVLH LLEITNVTIEVIGNEIPILD GSGWEFYEAIRKNILNQNRE IDYFVVEEPIIVEDEGRLIK AEPSDTLEVTYEGEFKNFLG RQKFTFVEGNEEEIVLARTF AFDWEIEHIKKVGLGKGGSL KNTLVLGKDKVYNPEGLRYE NEPVRHKVFDLIGDLYLLGS PVKGKFYSFRGGHSLNVKLV KELAKKQKLTRDLP ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 LEU 4 GLU 5 LYS 6 THR 7 VAL 8 LYS 9 GLU 10 LYS 11 LEU 12 SER 13 PHE 14 GLU 15 GLY 16 VAL 17 GLY 18 ILE 19 HIS 20 THR 21 GLY 22 GLU 23 TYR 24 SER 25 LYS 26 LEU 27 ILE 28 ILE 29 HIS 30 PRO 31 GLU 32 LYS 33 GLU 34 GLY 35 THR 36 GLY 37 ILE 38 ARG 39 PHE 40 PHE 41 LYS 42 ASN 43 GLY 44 VAL 45 TYR 46 ILE 47 PRO 48 ALA 49 ARG 50 HIS 51 GLU 52 PHE 53 VAL 54 VAL 55 HIS 56 THR 57 ASN 58 HIS 59 SER 60 THR 61 ASP 62 LEU 63 GLY 64 PHE 65 LYS 66 GLY 67 GLN 68 ARG 69 ILE 70 LYS 71 THR 72 VAL 73 GLU 74 HIS 75 ILE 76 LEU 77 SER 78 VAL 79 LEU 80 HIS 81 LEU 82 LEU 83 GLU 84 ILE 85 THR 86 ASN 87 VAL 88 THR 89 ILE 90 GLU 91 VAL 92 ILE 93 GLY 94 ASN 95 GLU 96 ILE 97 PRO 98 ILE 99 LEU 100 ASP 101 GLY 102 SER 103 GLY 104 TRP 105 GLU 106 PHE 107 TYR 108 GLU 109 ALA 110 ILE 111 ARG 112 LYS 113 ASN 114 ILE 115 LEU 116 ASN 117 GLN 118 ASN 119 ARG 120 GLU 121 ILE 122 ASP 123 TYR 124 PHE 125 VAL 126 VAL 127 GLU 128 GLU 129 PRO 130 ILE 131 ILE 132 VAL 133 GLU 134 ASP 135 GLU 136 GLY 137 ARG 138 LEU 139 ILE 140 LYS 141 ALA 142 GLU 143 PRO 144 SER 145 ASP 146 THR 147 LEU 148 GLU 149 VAL 150 THR 151 TYR 152 GLU 153 GLY 154 GLU 155 PHE 156 LYS 157 ASN 158 PHE 159 LEU 160 GLY 161 ARG 162 GLN 163 LYS 164 PHE 165 THR 166 PHE 167 VAL 168 GLU 169 GLY 170 ASN 171 GLU 172 GLU 173 GLU 174 ILE 175 VAL 176 LEU 177 ALA 178 ARG 179 THR 180 PHE 181 ALA 182 PHE 183 ASP 184 TRP 185 GLU 186 ILE 187 GLU 188 HIS 189 ILE 190 LYS 191 LYS 192 VAL 193 GLY 194 LEU 195 GLY 196 LYS 197 GLY 198 GLY 199 SER 200 LEU 201 LYS 202 ASN 203 THR 204 LEU 205 VAL 206 LEU 207 GLY 208 LYS 209 ASP 210 LYS 211 VAL 212 TYR 213 ASN 214 PRO 215 GLU 216 GLY 217 LEU 218 ARG 219 TYR 220 GLU 221 ASN 222 GLU 223 PRO 224 VAL 225 ARG 226 HIS 227 LYS 228 VAL 229 PHE 230 ASP 231 LEU 232 ILE 233 GLY 234 ASP 235 LEU 236 TYR 237 LEU 238 LEU 239 GLY 240 SER 241 PRO 242 VAL 243 LYS 244 GLY 245 LYS 246 PHE 247 TYR 248 SER 249 PHE 250 ARG 251 GLY 252 GLY 253 HIS 254 SER 255 LEU 256 ASN 257 VAL 258 LYS 259 LEU 260 VAL 261 LYS 262 GLU 263 LEU 264 ALA 265 LYS 266 LYS 267 GLN 268 LYS 269 LEU 270 THR 271 ARG 272 ASP 273 LEU 274 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 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 1P42 "Crystal Structure Of Aquifex Aeolicus Lpxc Deacetylase (zinc-inhibited Form)" 98.54 270 100.00 100.00 0.00e+00 PDB 1XXE "Rdc Refined Solution Structure Of The AalpxcTU-514 Complex" 100.00 282 99.64 99.64 0.00e+00 PDB 1YH8 "Crystal Structure Of Aquifex Aeolicus Lpxc Deacetylase Complexed With Palmitate" 98.54 270 100.00 100.00 0.00e+00 PDB 1YHC "Crystal Structure Of Aquifex Aeolicus Lpxc Deacetylase Complexed With Cacodylate" 98.54 270 100.00 100.00 0.00e+00 PDB 2GO3 "Crystal Structure Of Aquifex Aeolicus Lpxc Complexed With Imidazole." 97.45 267 100.00 100.00 0.00e+00 PDB 2GO4 "Crystal Structure Of Aquifex Aeolicus Lpxc Complexed With Tu-514" 97.45 267 100.00 100.00 0.00e+00 PDB 2IER "Crystal Structure Of Aquifex Aeolicus Lpxc Complexed With Uridine 5'- Diphosphate" 98.91 271 100.00 100.00 0.00e+00 PDB 2IES "Crystal Structure Of Aquifex Aeolicus Lpxc Complexed With Pyrophosphate" 98.91 271 100.00 100.00 0.00e+00 PDB 2J65 "Structure Of Lpxc From Aquifex Aeolicus In Complex With Udp" 98.91 271 100.00 100.00 0.00e+00 PDB 2JT2 "Solution Structure Of The Aquifex Aeolicus Lpxc- Chir-090 Complex" 100.00 274 100.00 100.00 0.00e+00 PDB 2O3Z "X-Ray Crystal Structure Of Lpxc Complexed With 3-Heptyloxybenzoate" 98.91 271 100.00 100.00 0.00e+00 PDB 3P3C "Crystal Structure Of The Aquifex Aeolicus LpxcLPC-009 Complex" 99.64 274 100.00 100.00 0.00e+00 PDB 3P76 "X-Ray Crystal Structure Of Aquifex Aeolicus Lpxc Complexed Sch1379777" 98.91 271 100.00 100.00 0.00e+00 PDB 4OZE "A.aolicus Lpxc In Complex With Native Product" 100.00 282 99.64 99.64 0.00e+00 PDB 4U3B "Lpxc From A.aaeolicus In Complex With The Mmp Inhibitor 4-[[4-(4- Chlorophenoxy)phenyl]sulfanylmethyl]tetrahydropyran-4-carbohy" 98.91 271 100.00 100.00 0.00e+00 PDB 4U3D "Lpxc From A.aaeolicus In Complex With 4-[[4-[2-[4-(morpholinomethyl) Phenyl]ethynyl]phenoxy]methyl]tetrahydropyran-4-carbohydro" 98.91 271 100.00 100.00 0.00e+00 GB AAC07605 "UDP-3-0-acyl N-acetylglcosamine deacetylase [Aquifex aeolicus VF5]" 100.00 282 99.64 99.64 0.00e+00 REF NP_214214 "UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase [Aquifex aeolicus VF5]" 100.00 282 99.64 99.64 0.00e+00 REF WP_010881151 "UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase [Aquifex aeolicus]" 100.00 282 99.64 99.64 0.00e+00 SP O67648 "RecName: Full=UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase; AltName: Full=UDP-3-O-acyl-GlcNAc deacetylase" 100.00 282 99.64 99.64 0.00e+00 stop_ save_ ############# # Ligands # ############# save_C90 _Saveframe_category ligand _Mol_type non-polymer _Name_common "C90 (N-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide)" _BMRB_code . _PDB_code C90 _Molecular_mass 437.488 _Mol_charge 0 _Mol_paramagnetic no _Mol_aromatic yes _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jan 20 13:37:29 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C5 C5 C . 0 . ? C6 C6 C . 0 . ? C9 C9 C . 0 . ? C10 C10 C . 0 . ? O1 O1 O . 0 . ? C11 C11 C . 0 . ? C12 C12 C . 0 . ? C19 C19 C . 0 . ? C15 C15 C . 0 . ? C16 C16 C . 0 . ? C18 C18 C . 0 . ? C21 C21 C . 0 . ? C22 C22 C . 0 . ? CA1 CA1 C . 0 . ? CA2 CA2 C . 0 . ? CB1 CB1 C . 0 . ? CB2 CB2 C . 0 . ? N4 N4 N . 0 . ? CC1 CC1 C . 0 . ? CC2 CC2 C . 0 . ? CD1 CD1 C . 0 . ? CD2 CD2 C . 0 . ? CE1 CE1 C . 0 . ? CE2 CE2 C . 0 . ? CF1 CF1 C . 0 . ? CF CF C . 0 . ? O16 O16 O . 0 . ? N17 N17 N . 0 . ? O20 O20 O . 0 . ? N23 N23 N . 0 . ? O22 O22 O . 0 . ? O24 O24 O . 0 . ? H51 H51 H . 0 . ? H52 H52 H . 0 . ? H19 H19 H . 0 . ? H18 H18 H . 0 . ? H211 H211 H . 0 . ? H212 H212 H . 0 . ? H213 H213 H . 0 . ? HA11 HA11 H . 0 . ? HA12 HA12 H . 0 . ? HA21 HA21 H . 0 . ? HA22 HA22 H . 0 . ? HB11 HB11 H . 0 . ? HB12 HB12 H . 0 . ? HB21 HB21 H . 0 . ? HB22 HB22 H . 0 . ? HC1 HC1 H . 0 . ? HC2 HC2 H . 0 . ? HD1 HD1 H . 0 . ? HD2 HD2 H . 0 . ? HE1 HE1 H . 0 . ? HE2 HE2 H . 0 . ? HF1 HF1 H . 0 . ? HF HF H . 0 . ? HN17 HN17 H . 0 . ? HO20 HO20 H . 0 . ? HN23 HN23 H . 0 . ? HO24 HO24 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING CB2 CA2 ? ? SING CB2 N4 ? ? DOUB CC2 CD2 ? ? SING CC2 C6 ? ? SING CA2 O1 ? ? SING C5 N4 ? ? SING C5 C6 ? ? SING CD2 C9 ? ? SING N4 CB1 ? ? DOUB C6 CC1 ? ? SING O1 CA1 ? ? SING C9 C10 ? ? DOUB C9 CD1 ? ? SING CB1 CA1 ? ? DOUB O22 C22 ? ? SING CC1 CD1 ? ? TRIP C10 C11 ? ? DOUB CE1 CF1 ? ? SING CE1 C12 ? ? SING C11 C12 ? ? SING C21 C19 ? ? SING CF1 C15 ? ? DOUB C12 CE2 ? ? SING O24 N23 ? ? SING C22 N23 ? ? SING C22 C18 ? ? SING N17 C18 ? ? SING N17 C16 ? ? SING C15 C16 ? ? DOUB C15 CF ? ? SING CE2 CF ? ? SING C18 C19 ? ? SING C19 O20 ? ? DOUB C16 O16 ? ? SING C5 H51 ? ? SING C5 H52 ? ? SING C19 H19 ? ? SING C18 H18 ? ? SING C21 H211 ? ? SING C21 H212 ? ? SING C21 H213 ? ? SING CA1 HA11 ? ? SING CA1 HA12 ? ? SING CA2 HA21 ? ? SING CA2 HA22 ? ? SING CB1 HB11 ? ? SING CB1 HB12 ? ? SING CB2 HB21 ? ? SING CB2 HB22 ? ? SING CC1 HC1 ? ? SING CC2 HC2 ? ? SING CD1 HD1 ? ? SING CD2 HD2 ? ? SING CE1 HE1 ? ? SING CE2 HE2 ? ? SING CF1 HF1 ? ? SING CF HF ? ? SING N17 HN17 ? ? SING O20 HO20 ? ? SING N23 HN23 ? ? SING O24 HO24 ? ? stop_ _Mol_thiol_state 'not present' _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $AaLpxC 'Aquifex aeolicus' 63363 Bacteria . Aquifex aeolicus 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 $AaLpxC 'recombinant technology' . Escherichia coli . pET21a 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $AaLpxC . mM 0.5 1 '[U-100% 13C; U-100% 15N]' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C 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 . M pH 6.5 . pH pressure 1 . atm temperature 313 . 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 . . . 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' '3D HNCACB' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C 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 AaLpxC _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HB2 H 1.392 0.020 2 2 2 2 GLY HA2 H 4.055 0.020 2 3 2 2 GLY HA3 H 4.205 0.020 2 4 2 2 GLY C C 175.415 0.400 1 5 2 2 GLY CA C 43.125 0.400 1 6 3 3 LEU H H 8.550 0.020 1 7 3 3 LEU HA H 4.738 0.020 1 8 3 3 LEU HB2 H 2.178 0.020 2 9 3 3 LEU HB3 H 2.271 0.020 2 10 3 3 LEU HD1 H 0.992 0.020 2 11 3 3 LEU HD2 H 0.798 0.020 2 12 3 3 LEU C C 177.302 0.400 1 13 3 3 LEU CA C 54.303 0.400 1 14 3 3 LEU CD1 C 25.102 0.400 1 15 3 3 LEU CD2 C 22.306 0.400 1 16 3 3 LEU N N 121.601 0.400 1 17 4 4 GLU H H 8.924 0.020 1 18 4 4 GLU HA H 3.840 0.020 1 19 4 4 GLU HB2 H 1.577 0.020 2 20 4 4 GLU HB3 H 1.577 0.020 2 21 4 4 GLU HG2 H 1.813 0.020 2 22 4 4 GLU HG3 H 1.813 0.020 2 23 4 4 GLU C C 174.378 0.400 1 24 4 4 GLU CA C 58.672 0.400 1 25 4 4 GLU N N 120.108 0.400 1 26 5 5 LYS H H 7.545 0.020 1 27 5 5 LYS HA H 5.271 0.020 1 28 5 5 LYS HB2 H 1.938 0.020 2 29 5 5 LYS HB3 H 1.938 0.020 2 30 5 5 LYS HG2 H 1.580 0.020 2 31 5 5 LYS HG3 H 1.779 0.020 2 32 5 5 LYS HE2 H 3.030 0.020 2 33 5 5 LYS HE3 H 3.030 0.020 2 34 5 5 LYS C C 176.037 0.400 1 35 5 5 LYS CA C 55.276 0.400 1 36 5 5 LYS CB C 39.396 0.400 1 37 5 5 LYS CG C 23.859 0.400 1 38 5 5 LYS N N 115.923 0.400 1 39 6 6 THR H H 8.543 0.020 1 40 6 6 THR HA H 4.761 0.020 1 41 6 6 THR HB H 4.390 0.020 1 42 6 6 THR HG1 H 6.712 0.020 1 43 6 6 THR HG2 H 1.326 0.020 1 44 6 6 THR C C 174.186 0.400 1 45 6 6 THR CA C 58.382 0.400 1 46 6 6 THR CB C 72.067 0.400 1 47 6 6 THR CG2 C 17.986 0.400 1 48 6 6 THR N N 116.586 0.400 1 49 7 7 VAL H H 8.193 0.020 1 50 7 7 VAL HA H 5.411 0.020 1 51 7 7 VAL HB H 2.330 0.020 1 52 7 7 VAL HG1 H 0.810 0.020 2 53 7 7 VAL HG2 H 0.678 0.020 2 54 7 7 VAL C C 176.546 0.400 1 55 7 7 VAL CA C 58.414 0.400 1 56 7 7 VAL CB C 34.154 0.400 1 57 7 7 VAL CG1 C 22.302 0.400 1 58 7 7 VAL CG2 C 18.233 0.400 1 59 7 7 VAL N N 110.926 0.400 1 60 8 8 LYS H H 8.592 0.020 1 61 8 8 LYS HA H 3.973 0.020 1 62 8 8 LYS HB2 H 1.802 0.020 2 63 8 8 LYS HB3 H 1.802 0.020 2 64 8 8 LYS HG2 H 1.391 0.020 2 65 8 8 LYS HG3 H 1.481 0.020 2 66 8 8 LYS HD2 H 1.743 0.020 2 67 8 8 LYS HD3 H 1.743 0.020 2 68 8 8 LYS HE2 H 3.080 0.020 2 69 8 8 LYS HE3 H 3.080 0.020 2 70 8 8 LYS C C 175.548 0.400 1 71 8 8 LYS CA C 58.101 0.400 1 72 8 8 LYS CB C 33.884 0.400 1 73 8 8 LYS CG C 25.384 0.400 1 74 8 8 LYS CD C 29.690 0.400 1 75 8 8 LYS CE C 41.609 0.400 1 76 8 8 LYS N N 117.919 0.400 1 77 9 9 GLU H H 7.502 0.020 1 78 9 9 GLU HA H 4.491 0.020 1 79 9 9 GLU HB2 H 1.867 0.020 2 80 9 9 GLU HB3 H 1.867 0.020 2 81 9 9 GLU HG2 H 2.093 0.020 2 82 9 9 GLU HG3 H 2.093 0.020 2 83 9 9 GLU C C 173.214 0.400 1 84 9 9 GLU CA C 53.330 0.400 1 85 9 9 GLU CB C 32.703 0.400 1 86 9 9 GLU CG C 35.043 0.400 1 87 9 9 GLU N N 113.635 0.400 1 88 10 10 LYS H H 8.080 0.020 1 89 10 10 LYS HA H 4.835 0.020 1 90 10 10 LYS HB2 H 1.437 0.020 2 91 10 10 LYS HB3 H 1.594 0.020 2 92 10 10 LYS HG2 H 1.320 0.020 2 93 10 10 LYS HG3 H 1.403 0.020 2 94 10 10 LYS HD2 H 1.708 0.020 2 95 10 10 LYS HD3 H 1.531 0.020 2 96 10 10 LYS HE2 H 2.981 0.020 2 97 10 10 LYS HE3 H 2.981 0.020 2 98 10 10 LYS C C 176.812 0.400 1 99 10 10 LYS CA C 56.492 0.400 1 100 10 10 LYS CB C 32.821 0.400 1 101 10 10 LYS CG C 24.513 0.400 1 102 10 10 LYS CD C 29.453 0.400 1 103 10 10 LYS CE C 41.324 0.400 1 104 10 10 LYS N N 116.868 0.400 1 105 11 11 LEU H H 7.975 0.020 1 106 11 11 LEU HA H 4.674 0.020 1 107 11 11 LEU HB2 H 1.560 0.020 2 108 11 11 LEU HB3 H 1.384 0.020 2 109 11 11 LEU HG H 1.875 0.020 1 110 11 11 LEU HD1 H 0.898 0.020 2 111 11 11 LEU HD2 H 0.792 0.020 2 112 11 11 LEU C C 175.353 0.400 1 113 11 11 LEU CA C 53.081 0.400 1 114 11 11 LEU CB C 45.915 0.400 1 115 11 11 LEU CG C 26.234 0.400 1 116 11 11 LEU CD1 C 27.304 0.400 1 117 11 11 LEU CD2 C 23.856 0.400 1 118 11 11 LEU N N 122.683 0.400 1 119 12 12 SER H H 8.102 0.020 1 120 12 12 SER HA H 5.592 0.020 1 121 12 12 SER HB2 H 3.646 0.020 2 122 12 12 SER HB3 H 3.646 0.020 2 123 12 12 SER C C 172.821 0.400 1 124 12 12 SER CA C 56.488 0.400 1 125 12 12 SER CB C 65.815 0.400 1 126 12 12 SER N N 115.533 0.400 1 127 13 13 PHE H H 8.750 0.020 1 128 13 13 PHE HA H 4.906 0.020 1 129 13 13 PHE HB2 H 2.670 0.020 2 130 13 13 PHE HB3 H 3.122 0.020 2 131 13 13 PHE HD1 H 7.192 0.020 1 132 13 13 PHE HD2 H 7.192 0.020 1 133 13 13 PHE HE1 H 7.172 0.020 1 134 13 13 PHE HE2 H 7.172 0.020 1 135 13 13 PHE HZ H 7.302 0.020 1 136 13 13 PHE C C 174.086 0.400 1 137 13 13 PHE CA C 56.499 0.400 1 138 13 13 PHE CB C 44.100 0.400 1 139 13 13 PHE N N 118.750 0.400 1 140 14 14 GLU H H 8.845 0.020 1 141 14 14 GLU HA H 5.349 0.020 1 142 14 14 GLU HB2 H 2.258 0.020 2 143 14 14 GLU HB3 H 2.258 0.020 2 144 14 14 GLU HG2 H 2.233 0.020 2 145 14 14 GLU HG3 H 2.114 0.020 2 146 14 14 GLU C C 173.696 0.400 1 147 14 14 GLU CA C 54.666 0.400 1 148 14 14 GLU CB C 35.053 0.400 1 149 14 14 GLU CG C 33.425 0.400 1 150 14 14 GLU N N 117.540 0.400 1 151 15 15 GLY H H 8.107 0.020 1 152 15 15 GLY HA2 H 3.863 0.020 2 153 15 15 GLY HA3 H 4.477 0.020 2 154 15 15 GLY C C 171.645 0.400 1 155 15 15 GLY CA C 45.017 0.400 1 156 15 15 GLY N N 105.667 0.400 1 157 16 16 VAL H H 8.347 0.020 1 158 16 16 VAL HA H 4.554 0.020 1 159 16 16 VAL HB H 1.735 0.020 1 160 16 16 VAL HG1 H 0.755 0.020 2 161 16 16 VAL HG2 H 0.740 0.020 2 162 16 16 VAL C C 176.521 0.400 1 163 16 16 VAL CA C 60.257 0.400 1 164 16 16 VAL CB C 33.605 0.400 1 165 16 16 VAL CG1 C 20.163 0.400 1 166 16 16 VAL CG2 C 20.441 0.400 1 167 16 16 VAL N N 117.803 0.400 1 168 17 17 GLY H H 8.171 0.020 1 169 17 17 GLY HA2 H 3.458 0.020 2 170 17 17 GLY HA3 H 4.145 0.020 2 171 17 17 GLY C C 174.770 0.400 1 172 17 17 GLY CA C 44.094 0.400 1 173 17 17 GLY N N 111.206 0.400 1 174 18 18 ILE H H 8.580 0.020 1 175 18 18 ILE HA H 3.361 0.020 1 176 18 18 ILE HB H 1.200 0.020 1 177 18 18 ILE HG12 H 0.522 0.020 2 178 18 18 ILE HG13 H 0.522 0.020 2 179 18 18 ILE HG2 H -0.019 0.020 1 180 18 18 ILE HD1 H 0.539 0.020 1 181 18 18 ILE C C 174.768 0.400 1 182 18 18 ILE CA C 63.642 0.400 1 183 18 18 ILE CB C 36.587 0.400 1 184 18 18 ILE CG1 C 30.074 0.400 1 185 18 18 ILE CG2 C 15.446 0.400 1 186 18 18 ILE CD1 C 14.236 0.400 1 187 18 18 ILE N N 126.865 0.400 1 188 19 19 HIS H H 9.714 0.020 1 189 19 19 HIS HA H 4.923 0.020 1 190 19 19 HIS HB2 H 2.833 0.020 2 191 19 19 HIS HB3 H 2.872 0.020 2 192 19 19 HIS HD2 H 7.024 0.020 1 193 19 19 HIS HE1 H 7.127 0.020 1 194 19 19 HIS C C 179.348 0.400 1 195 19 19 HIS CA C 59.305 0.400 1 196 19 19 HIS CB C 31.936 0.400 1 197 19 19 HIS N N 123.866 0.400 1 198 20 20 THR H H 10.550 0.020 1 199 20 20 THR HA H 4.078 0.020 1 200 20 20 THR HB H 4.087 0.020 1 201 20 20 THR HG1 H 5.582 0.020 1 202 20 20 THR HG2 H 1.196 0.020 1 203 20 20 THR C C 178.080 0.400 1 204 20 20 THR CA C 63.322 0.400 1 205 20 20 THR CB C 70.827 0.400 1 206 20 20 THR CG2 C 21.973 0.400 1 207 20 20 THR N N 111.757 0.400 1 208 21 21 GLY H H 7.662 0.020 1 209 21 21 GLY HA2 H 3.532 0.020 2 210 21 21 GLY HA3 H 3.289 0.020 2 211 21 21 GLY C C 172.626 0.400 1 212 21 21 GLY CA C 45.622 0.400 1 213 21 21 GLY N N 109.324 0.400 1 214 22 22 GLU H H 7.453 0.020 1 215 22 22 GLU HA H 4.473 0.020 1 216 22 22 GLU HB2 H 1.924 0.020 2 217 22 22 GLU HB3 H 1.924 0.020 2 218 22 22 GLU HG2 H 2.113 0.020 2 219 22 22 GLU HG3 H 2.290 0.020 2 220 22 22 GLU C C 176.231 0.400 1 221 22 22 GLU CA C 54.225 0.400 1 222 22 22 GLU CB C 32.249 0.400 1 223 22 22 GLU CG C 36.240 0.400 1 224 22 22 GLU N N 117.801 0.400 1 225 23 23 TYR H H 8.784 0.020 1 226 23 23 TYR HA H 4.370 0.020 1 227 23 23 TYR HB2 H 2.880 0.020 2 228 23 23 TYR HB3 H 3.029 0.020 2 229 23 23 TYR HD1 H 7.021 0.020 1 230 23 23 TYR HD2 H 7.021 0.020 1 231 23 23 TYR HE1 H 6.737 0.020 1 232 23 23 TYR HE2 H 6.737 0.020 1 233 23 23 TYR C C 175.448 0.400 1 234 23 23 TYR CA C 59.301 0.400 1 235 23 23 TYR CB C 38.773 0.400 1 236 23 23 TYR N N 124.532 0.400 1 237 24 24 SER H H 8.280 0.020 1 238 24 24 SER HA H 5.020 0.020 1 239 24 24 SER HB2 H 3.696 0.020 2 240 24 24 SER HB3 H 3.696 0.020 2 241 24 24 SER C C 171.163 0.400 1 242 24 24 SER CA C 56.787 0.400 1 243 24 24 SER CB C 66.752 0.400 1 244 24 24 SER N N 123.349 0.400 1 245 25 25 LYS H H 8.149 0.020 1 246 25 25 LYS HA H 5.080 0.020 1 247 25 25 LYS HB2 H 1.891 0.020 2 248 25 25 LYS HB3 H 1.891 0.020 2 249 25 25 LYS HG2 H 1.325 0.020 2 250 25 25 LYS HG3 H 1.523 0.020 2 251 25 25 LYS HD2 H 1.731 0.020 2 252 25 25 LYS HD3 H 1.731 0.020 2 253 25 25 LYS HE2 H 2.911 0.020 2 254 25 25 LYS HE3 H 2.911 0.020 2 255 25 25 LYS C C 173.696 0.400 1 256 25 25 LYS CA C 54.394 0.400 1 257 25 25 LYS CB C 36.228 0.400 1 258 25 25 LYS CG C 25.454 0.400 1 259 25 25 LYS CD C 29.669 0.400 1 260 25 25 LYS CE C 41.895 0.400 1 261 25 25 LYS N N 120.946 0.400 1 262 26 26 LEU H H 9.286 0.020 1 263 26 26 LEU HA H 5.768 0.020 1 264 26 26 LEU HB2 H 1.706 0.020 2 265 26 26 LEU HB3 H 1.759 0.020 2 266 26 26 LEU HG H 1.678 0.020 1 267 26 26 LEU HD1 H 1.011 0.020 2 268 26 26 LEU HD2 H 1.034 0.020 2 269 26 26 LEU C C 176.132 0.400 1 270 26 26 LEU CA C 52.732 0.400 1 271 26 26 LEU CB C 46.852 0.400 1 272 26 26 LEU CD1 C 26.688 0.400 1 273 26 26 LEU CD2 C 27.512 0.400 1 274 26 26 LEU N N 122.676 0.400 1 275 27 27 ILE H H 9.270 0.020 1 276 27 27 ILE HA H 4.843 0.020 1 277 27 27 ILE HB H 1.760 0.020 1 278 27 27 ILE HG12 H 1.051 0.020 2 279 27 27 ILE HG13 H 1.430 0.020 2 280 27 27 ILE HG2 H 0.275 0.020 1 281 27 27 ILE HD1 H 0.840 0.020 1 282 27 27 ILE C C 174.865 0.400 1 283 27 27 ILE CA C 60.825 0.400 1 284 27 27 ILE CB C 41.318 0.400 1 285 27 27 ILE CG1 C 27.915 0.400 1 286 27 27 ILE CG2 C 17.960 0.400 1 287 27 27 ILE CD1 C 14.245 0.400 1 288 27 27 ILE N N 123.499 0.400 1 289 28 28 ILE H H 9.540 0.020 1 290 28 28 ILE HA H 4.588 0.020 1 291 28 28 ILE HB H 1.997 0.020 1 292 28 28 ILE HG12 H 1.785 0.020 2 293 28 28 ILE HG13 H 1.785 0.020 2 294 28 28 ILE HG2 H 0.775 0.020 1 295 28 28 ILE HD1 H 0.882 0.020 1 296 28 28 ILE C C 174.086 0.400 1 297 28 28 ILE CA C 60.761 0.400 1 298 28 28 ILE CB C 37.832 0.400 1 299 28 28 ILE CG1 C 27.926 0.400 1 300 28 28 ILE CG2 C 18.258 0.400 1 301 28 28 ILE CD1 C 13.607 0.400 1 302 28 28 ILE N N 126.854 0.400 1 303 29 29 HIS H H 9.468 0.020 1 304 29 29 HIS HA H 4.892 0.020 1 305 29 29 HIS HB2 H 3.007 0.020 2 306 29 29 HIS HB3 H 3.007 0.020 2 307 29 29 HIS HD2 H 6.940 0.020 1 308 29 29 HIS HE1 H 7.740 0.020 1 309 29 29 HIS CA C 53.703 0.400 1 310 29 29 HIS CB C 32.843 0.400 1 311 29 29 HIS N N 125.483 0.400 1 312 30 30 PRO HA H 4.640 0.020 1 313 30 30 PRO HB2 H 2.733 0.020 2 314 30 30 PRO HB3 H 1.772 0.020 2 315 30 30 PRO HG2 H 1.762 0.020 2 316 30 30 PRO HG3 H 1.941 0.020 2 317 30 30 PRO HD2 H 3.532 0.020 2 318 30 30 PRO HD3 H 3.844 0.020 2 319 30 30 PRO C C 177.592 0.400 1 320 30 30 PRO CA C 62.112 0.400 1 321 30 30 PRO CB C 32.534 0.400 1 322 30 30 PRO CG C 26.693 0.400 1 323 30 30 PRO CD C 50.934 0.400 1 324 31 31 GLU H H 7.786 0.020 1 325 31 31 GLU HA H 4.869 0.020 1 326 31 31 GLU HB2 H 2.004 0.020 2 327 31 31 GLU HB3 H 2.333 0.020 2 328 31 31 GLU HG2 H 2.025 0.020 2 329 31 31 GLU HG3 H 1.026 0.020 2 330 31 31 GLU C C 175.256 0.400 1 331 31 31 GLU CA C 53.664 0.400 1 332 31 31 GLU CB C 35.046 0.400 1 333 31 31 GLU CG C 35.356 0.400 1 334 31 31 GLU N N 118.359 0.400 1 335 32 32 LYS H H 8.025 0.020 1 336 32 32 LYS HA H 4.081 0.020 1 337 32 32 LYS HB2 H 1.799 0.020 2 338 32 32 LYS HB3 H 1.854 0.020 2 339 32 32 LYS HG2 H 1.468 0.020 2 340 32 32 LYS HG3 H 1.468 0.020 2 341 32 32 LYS HD2 H 1.665 0.020 2 342 32 32 LYS HD3 H 1.665 0.020 2 343 32 32 LYS HE2 H 2.998 0.020 2 344 32 32 LYS HE3 H 2.998 0.020 2 345 32 32 LYS C C 176.226 0.400 1 346 32 32 LYS CA C 55.598 0.400 1 347 32 32 LYS CB C 33.928 0.400 1 348 32 32 LYS CG C 23.954 0.400 1 349 32 32 LYS CD C 28.798 0.400 1 350 32 32 LYS CE C 41.622 0.400 1 351 32 32 LYS N N 117.681 0.400 1 352 33 33 GLU H H 9.160 0.020 1 353 33 33 GLU HA H 4.038 0.020 1 354 33 33 GLU HB2 H 1.712 0.020 2 355 33 33 GLU HB3 H 1.871 0.020 2 356 33 33 GLU HG2 H 2.178 0.020 2 357 33 33 GLU HG3 H 2.269 0.020 2 358 33 33 GLU C C 177.398 0.400 1 359 33 33 GLU CA C 57.851 0.400 1 360 33 33 GLU CB C 29.368 0.400 1 361 33 33 GLU CG C 37.347 0.400 1 362 33 33 GLU N N 121.319 0.400 1 363 34 34 GLY H H 9.438 0.020 1 364 34 34 GLY HA2 H 3.913 0.020 2 365 34 34 GLY HA3 H 3.913 0.020 2 366 34 34 GLY C C 174.571 0.400 1 367 34 34 GLY CA C 45.574 0.400 1 368 34 34 GLY N N 110.125 0.400 1 369 35 35 THR H H 7.619 0.020 1 370 35 35 THR HA H 3.876 0.020 1 371 35 35 THR HB H 3.870 0.020 1 372 35 35 THR HG2 H 0.913 0.020 1 373 35 35 THR C C 175.837 0.400 1 374 35 35 THR CA C 65.844 0.400 1 375 35 35 THR CB C 68.941 0.400 1 376 35 35 THR CG2 C 20.469 0.400 1 377 35 35 THR N N 117.778 0.400 1 378 36 36 GLY H H 8.659 0.020 1 379 36 36 GLY HA2 H 4.086 0.020 2 380 36 36 GLY HA3 H 4.086 0.020 2 381 36 36 GLY C C 172.818 0.400 1 382 36 36 GLY CA C 43.980 0.400 1 383 36 36 GLY N N 109.998 0.400 1 384 37 37 ILE H H 8.049 0.020 1 385 37 37 ILE HA H 4.496 0.020 1 386 37 37 ILE HB H 1.736 0.020 1 387 37 37 ILE HG12 H 1.102 0.020 2 388 37 37 ILE HG13 H 1.102 0.020 2 389 37 37 ILE HG2 H 0.182 0.020 1 390 37 37 ILE HD1 H 0.506 0.020 1 391 37 37 ILE C C 176.619 0.400 1 392 37 37 ILE CA C 58.394 0.400 1 393 37 37 ILE CB C 35.354 0.400 1 394 37 37 ILE CG1 C 25.971 0.400 1 395 37 37 ILE CG2 C 17.359 0.400 1 396 37 37 ILE CD1 C 11.755 0.400 1 397 37 37 ILE N N 116.292 0.400 1 398 38 38 ARG H H 7.950 0.020 1 399 38 38 ARG HA H 4.857 0.020 1 400 38 38 ARG HB2 H 1.698 0.020 2 401 38 38 ARG HB3 H 2.337 0.020 2 402 38 38 ARG HG2 H 1.449 0.020 2 403 38 38 ARG HG3 H 1.617 0.020 2 404 38 38 ARG HD2 H 2.584 0.020 2 405 38 38 ARG HD3 H 2.851 0.020 2 406 38 38 ARG C C 173.894 0.400 1 407 38 38 ARG CA C 53.704 0.400 1 408 38 38 ARG CB C 33.185 0.400 1 409 38 38 ARG CG C 25.413 0.400 1 410 38 38 ARG CD C 43.435 0.400 1 411 38 38 ARG N N 123.203 0.400 1 412 39 39 PHE H H 9.103 0.020 1 413 39 39 PHE HA H 5.393 0.020 1 414 39 39 PHE HB2 H 2.980 0.020 2 415 39 39 PHE HB3 H 2.870 0.020 2 416 39 39 PHE HD1 H 7.161 0.020 1 417 39 39 PHE HD2 H 7.161 0.020 1 418 39 39 PHE HE1 H 6.940 0.020 1 419 39 39 PHE HE2 H 6.940 0.020 1 420 39 39 PHE HZ H 6.871 0.020 1 421 39 39 PHE C C 175.253 0.400 1 422 39 39 PHE CA C 56.463 0.400 1 423 39 39 PHE CB C 40.767 0.400 1 424 39 39 PHE N N 120.661 0.400 1 425 40 40 PHE H H 8.911 0.020 1 426 40 40 PHE HA H 5.434 0.020 1 427 40 40 PHE HB2 H 2.555 0.020 2 428 40 40 PHE HB3 H 2.373 0.020 2 429 40 40 PHE HD1 H 6.117 0.020 1 430 40 40 PHE HD2 H 6.117 0.020 1 431 40 40 PHE HE1 H 6.817 0.020 1 432 40 40 PHE HE2 H 6.817 0.020 1 433 40 40 PHE HZ H 7.069 0.020 1 434 40 40 PHE C C 173.112 0.400 1 435 40 40 PHE CA C 55.572 0.400 1 436 40 40 PHE CB C 42.779 0.400 1 437 40 40 PHE N N 123.451 0.400 1 438 41 41 LYS H H 8.401 0.020 1 439 41 41 LYS HA H 4.641 0.020 1 440 41 41 LYS HB2 H 1.414 0.020 2 441 41 41 LYS HB3 H 1.665 0.020 2 442 41 41 LYS HG2 H 1.192 0.020 2 443 41 41 LYS HG3 H 1.585 0.020 2 444 41 41 LYS HD2 H 1.390 0.020 2 445 41 41 LYS HD3 H 1.640 0.020 2 446 41 41 LYS HE2 H 3.304 0.020 2 447 41 41 LYS HE3 H 3.304 0.020 2 448 41 41 LYS C C 175.063 0.400 1 449 41 41 LYS CA C 54.702 0.400 1 450 41 41 LYS CB C 36.289 0.400 1 451 41 41 LYS CG C 24.809 0.400 1 452 41 41 LYS CD C 30.705 0.400 1 453 41 41 LYS CE C 42.481 0.400 1 454 41 41 LYS N N 127.126 0.400 1 455 42 42 ASN H H 9.070 0.020 1 456 42 42 ASN HA H 4.240 0.020 1 457 42 42 ASN HB2 H 2.474 0.020 2 458 42 42 ASN HB3 H 2.966 0.020 2 459 42 42 ASN C C 174.575 0.400 1 460 42 42 ASN CA C 53.711 0.400 1 461 42 42 ASN CB C 36.577 0.400 1 462 42 42 ASN N N 124.026 0.400 1 463 43 43 GLY H H 6.759 0.020 1 464 43 43 GLY HA2 H 3.381 0.020 2 465 43 43 GLY HA3 H 4.054 0.020 2 466 43 43 GLY C C 173.305 0.400 1 467 43 43 GLY CA C 45.319 0.400 1 468 43 43 GLY N N 100.262 0.400 1 469 44 44 VAL H H 7.393 0.020 1 470 44 44 VAL HA H 4.191 0.020 1 471 44 44 VAL HB H 2.072 0.020 1 472 44 44 VAL HG1 H 0.985 0.020 2 473 44 44 VAL HG2 H 0.897 0.020 2 474 44 44 VAL C C 174.671 0.400 1 475 44 44 VAL CA C 61.021 0.400 1 476 44 44 VAL CB C 34.498 0.400 1 477 44 44 VAL CG1 C 21.378 0.400 1 478 44 44 VAL CG2 C 21.380 0.400 1 479 44 44 VAL N N 122.259 0.400 1 480 45 45 TYR H H 8.378 0.020 1 481 45 45 TYR HA H 5.301 0.020 1 482 45 45 TYR HB2 H 2.589 0.020 2 483 45 45 TYR HB3 H 2.915 0.020 2 484 45 45 TYR HD1 H 6.960 0.020 1 485 45 45 TYR HD2 H 6.960 0.020 1 486 45 45 TYR HE1 H 6.503 0.020 1 487 45 45 TYR HE2 H 6.503 0.020 1 488 45 45 TYR C C 175.938 0.400 1 489 45 45 TYR CA C 58.042 0.400 1 490 45 45 TYR CB C 39.964 0.400 1 491 45 45 TYR N N 123.624 0.400 1 492 46 46 ILE H H 9.107 0.020 1 493 46 46 ILE HA H 4.060 0.020 1 494 46 46 ILE HB H 1.674 0.020 1 495 46 46 ILE HG12 H 0.959 0.020 2 496 46 46 ILE HG13 H 1.567 0.020 2 497 46 46 ILE HG2 H 0.647 0.020 1 498 46 46 ILE HD1 H 0.710 0.020 1 499 46 46 ILE CA C 58.101 0.400 1 500 46 46 ILE CB C 40.746 0.400 1 501 46 46 ILE CG1 C 27.608 0.400 1 502 46 46 ILE CG2 C 18.563 0.400 1 503 46 46 ILE CD1 C 14.543 0.400 1 504 46 46 ILE N N 122.408 0.400 1 505 47 47 PRO HA H 4.124 0.020 1 506 47 47 PRO HB2 H 2.260 0.020 2 507 47 47 PRO HB3 H 2.260 0.020 2 508 47 47 PRO HG2 H 1.458 0.020 2 509 47 47 PRO HG3 H 1.458 0.020 2 510 47 47 PRO HD2 H 1.369 0.020 2 511 47 47 PRO HD3 H 3.159 0.020 2 512 47 47 PRO C C 175.059 0.400 1 513 47 47 PRO CA C 62.994 0.400 1 514 47 47 PRO CD C 49.662 0.400 1 515 48 48 ALA H H 7.736 0.020 1 516 48 48 ALA HA H 4.499 0.020 1 517 48 48 ALA HB H 1.070 0.020 1 518 48 48 ALA C C 177.983 0.400 1 519 48 48 ALA CA C 49.629 0.400 1 520 48 48 ALA CB C 17.049 0.400 1 521 48 48 ALA N N 124.693 0.400 1 522 49 49 ARG H H 8.044 0.020 1 523 49 49 ARG HA H 5.164 0.020 1 524 49 49 ARG HB2 H 1.491 0.020 2 525 49 49 ARG HB3 H 2.301 0.020 2 526 49 49 ARG HG2 H 1.469 0.020 2 527 49 49 ARG HG3 H 1.572 0.020 2 528 49 49 ARG HD2 H 3.178 0.020 2 529 49 49 ARG HD3 H 3.333 0.020 2 530 49 49 ARG C C 174.767 0.400 1 531 49 49 ARG CA C 53.386 0.400 1 532 49 49 ARG CB C 36.853 0.400 1 533 49 49 ARG CG C 28.228 0.400 1 534 49 49 ARG CD C 43.047 0.400 1 535 49 49 ARG N N 118.632 0.400 1 536 50 50 HIS H H 8.047 0.020 1 537 50 50 HIS HA H 4.102 0.020 1 538 50 50 HIS HB2 H 2.745 0.020 2 539 50 50 HIS HB3 H 2.881 0.020 2 540 50 50 HIS HD1 H 7.118 0.020 1 541 50 50 HIS HD2 H 7.108 0.020 1 542 50 50 HIS HE1 H 7.120 0.020 1 543 50 50 HIS C C 176.130 0.400 1 544 50 50 HIS CA C 58.424 0.400 1 545 50 50 HIS CB C 31.054 0.400 1 546 50 50 HIS N N 118.629 0.400 1 547 51 51 GLU H H 8.962 0.020 1 548 51 51 GLU HA H 3.757 0.020 1 549 51 51 GLU HB2 H 1.205 0.020 2 550 51 51 GLU HB3 H 1.299 0.020 2 551 51 51 GLU HG2 H 1.741 0.020 2 552 51 51 GLU HG3 H 1.921 0.020 2 553 51 51 GLU C C 176.911 0.400 1 554 51 51 GLU CA C 59.592 0.400 1 555 51 51 GLU CB C 27.644 0.400 1 556 51 51 GLU CG C 36.208 0.400 1 557 51 51 GLU N N 122.249 0.400 1 558 52 52 PHE H H 7.909 0.020 1 559 52 52 PHE HA H 4.606 0.020 1 560 52 52 PHE HB2 H 2.981 0.020 2 561 52 52 PHE HB3 H 3.731 0.020 2 562 52 52 PHE HD1 H 7.164 0.020 1 563 52 52 PHE HD2 H 7.164 0.020 1 564 52 52 PHE HE1 H 7.146 0.020 1 565 52 52 PHE HE2 H 7.146 0.020 1 566 52 52 PHE C C 174.474 0.400 1 567 52 52 PHE CA C 57.480 0.400 1 568 52 52 PHE CB C 38.175 0.400 1 569 52 52 PHE N N 115.526 0.400 1 570 53 53 VAL H H 7.265 0.020 1 571 53 53 VAL HA H 4.264 0.020 1 572 53 53 VAL HB H 2.136 0.020 1 573 53 53 VAL HG1 H 1.021 0.020 2 574 53 53 VAL HG2 H 1.025 0.020 2 575 53 53 VAL C C 177.690 0.400 1 576 53 53 VAL CA C 63.606 0.400 1 577 53 53 VAL CB C 31.936 0.400 1 578 53 53 VAL CG1 C 22.584 0.400 1 579 53 53 VAL CG2 C 24.798 0.400 1 580 53 53 VAL N N 120.501 0.400 1 581 54 54 VAL H H 8.846 0.020 1 582 54 54 VAL HA H 4.717 0.020 1 583 54 54 VAL HB H 2.323 0.020 1 584 54 54 VAL HG1 H 0.938 0.020 2 585 54 54 VAL HG2 H 0.581 0.020 2 586 54 54 VAL C C 175.645 0.400 1 587 54 54 VAL CA C 60.458 0.400 1 588 54 54 VAL CB C 32.788 0.400 1 589 54 54 VAL CG1 C 20.785 0.400 1 590 54 54 VAL CG2 C 17.656 0.400 1 591 54 54 VAL N N 120.930 0.400 1 592 55 55 HIS H H 7.503 0.020 1 593 55 55 HIS HA H 4.746 0.020 1 594 55 55 HIS HB2 H 3.195 0.020 2 595 55 55 HIS HB3 H 2.887 0.020 2 596 55 55 HIS HD2 H 6.674 0.020 1 597 55 55 HIS HE1 H 6.684 0.020 1 598 55 55 HIS C C 172.429 0.400 1 599 55 55 HIS CA C 58.105 0.400 1 600 55 55 HIS CB C 32.816 0.400 1 601 55 55 HIS N N 120.930 0.400 1 602 56 56 THR H H 6.953 0.020 1 603 56 56 THR HA H 5.140 0.020 1 604 56 56 THR HB H 3.831 0.020 1 605 56 56 THR HG2 H 1.224 0.020 1 606 56 56 THR C C 172.530 0.400 1 607 56 56 THR CA C 59.643 0.400 1 608 56 56 THR CB C 72.358 0.400 1 609 56 56 THR CG2 C 23.582 0.400 1 610 56 56 THR N N 114.078 0.400 1 611 57 57 ASN H H 6.432 0.020 1 612 57 57 ASN HA H 4.339 0.020 1 613 57 57 ASN HB2 H 3.067 0.020 2 614 57 57 ASN HB3 H 2.902 0.020 2 615 57 57 ASN HD21 H 7.114 0.020 2 616 57 57 ASN HD22 H 7.114 0.020 2 617 57 57 ASN C C 174.867 0.400 1 618 57 57 ASN CB C 41.571 0.400 1 619 57 57 ASN N N 118.755 0.400 1 620 58 58 HIS H H 7.258 0.020 1 621 58 58 HIS HA H 4.935 0.020 1 622 58 58 HIS HB2 H 2.459 0.020 2 623 58 58 HIS HB3 H 2.880 0.020 2 624 58 58 HIS HD2 H 7.157 0.020 1 625 58 58 HIS N N 119.298 0.400 1 626 59 59 SER HA H 3.644 0.020 1 627 59 59 SER HB2 H 3.735 0.020 2 628 59 59 SER HB3 H 3.735 0.020 2 629 59 59 SER C C 176.814 0.400 1 630 59 59 SER CA C 60.125 0.400 1 631 59 59 SER CB C 62.079 0.400 1 632 60 60 THR H H 7.758 0.020 1 633 60 60 THR HA H 4.458 0.020 1 634 60 60 THR HB H 3.827 0.020 1 635 60 60 THR HG2 H 0.922 0.020 1 636 60 60 THR C C 173.015 0.400 1 637 60 60 THR CA C 62.371 0.400 1 638 60 60 THR CB C 68.054 0.400 1 639 60 60 THR CG2 C 23.594 0.400 1 640 60 60 THR N N 124.966 0.400 1 641 61 61 ASP H H 8.517 0.020 1 642 61 61 ASP HA H 5.473 0.020 1 643 61 61 ASP HB2 H 2.381 0.020 2 644 61 61 ASP HB3 H 2.596 0.020 2 645 61 61 ASP C C 176.424 0.400 1 646 61 61 ASP CA C 51.796 0.400 1 647 61 61 ASP CB C 43.128 0.400 1 648 61 61 ASP N N 123.610 0.400 1 649 62 62 LEU H H 8.263 0.020 1 650 62 62 LEU HA H 5.537 0.020 1 651 62 62 LEU HB2 H 1.213 0.020 2 652 62 62 LEU HB3 H 1.415 0.020 2 653 62 62 LEU HG H 1.541 0.020 1 654 62 62 LEU HD1 H 0.748 0.020 2 655 62 62 LEU HD2 H 0.740 0.020 2 656 62 62 LEU C C 176.423 0.400 1 657 62 62 LEU CA C 52.443 0.400 1 658 62 62 LEU CB C 46.232 0.400 1 659 62 62 LEU CG C 26.967 0.400 1 660 62 62 LEU CD1 C 26.995 0.400 1 661 62 62 LEU CD2 C 23.272 0.400 1 662 62 62 LEU N N 120.924 0.400 1 663 63 63 GLY H H 9.238 0.020 1 664 63 63 GLY HA2 H 4.855 0.020 2 665 63 63 GLY HA3 H 3.887 0.020 2 666 63 63 GLY C C 171.748 0.400 1 667 63 63 GLY CA C 47.134 0.400 1 668 63 63 GLY N N 106.872 0.400 1 669 64 64 PHE H H 8.391 0.020 1 670 64 64 PHE HA H 4.945 0.020 1 671 64 64 PHE HB2 H 3.813 0.020 2 672 64 64 PHE HB3 H 2.689 0.020 2 673 64 64 PHE HD1 H 7.559 0.020 1 674 64 64 PHE HD2 H 7.559 0.020 1 675 64 64 PHE HE1 H 7.540 0.020 1 676 64 64 PHE HE2 H 7.540 0.020 1 677 64 64 PHE HZ H 7.538 0.020 1 678 64 64 PHE C C 174.282 0.400 1 679 64 64 PHE CA C 57.385 0.400 1 680 64 64 PHE CB C 42.800 0.400 1 681 64 64 PHE N N 118.629 0.400 1 682 65 65 LYS H H 8.550 0.020 1 683 65 65 LYS HA H 3.565 0.020 1 684 65 65 LYS HB2 H 1.397 0.020 2 685 65 65 LYS HB3 H 1.856 0.020 2 686 65 65 LYS HG2 H 0.339 0.020 2 687 65 65 LYS HG3 H 0.650 0.020 2 688 65 65 LYS HD2 H 1.410 0.020 2 689 65 65 LYS HD3 H 1.410 0.020 2 690 65 65 LYS HE2 H 2.799 0.020 2 691 65 65 LYS HE3 H 2.872 0.020 2 692 65 65 LYS CA C 57.015 0.400 1 693 65 65 LYS CB C 30.455 0.400 1 694 65 65 LYS CG C 24.514 0.400 1 695 65 65 LYS CD C 29.090 0.400 1 696 65 65 LYS CE C 41.902 0.400 1 697 65 65 LYS N N 124.442 0.400 1 698 66 66 GLY HA2 H 3.583 0.020 2 699 66 66 GLY HA3 H 4.121 0.020 2 700 66 66 GLY C C 174.317 0.400 1 701 66 66 GLY CA C 45.300 0.400 1 702 67 67 GLN H H 7.971 0.020 1 703 67 67 GLN HA H 4.556 0.020 1 704 67 67 GLN HB2 H 1.816 0.020 2 705 67 67 GLN HB3 H 1.816 0.020 2 706 67 67 GLN HG2 H 2.313 0.020 2 707 67 67 GLN HG3 H 2.313 0.020 2 708 67 67 GLN HE21 H 6.980 0.020 2 709 67 67 GLN HE22 H 7.463 0.020 2 710 67 67 GLN N N 119.163 0.400 1 711 67 67 GLN NE2 N 113.766 0.400 1 712 68 68 ARG HA H 5.208 0.020 1 713 68 68 ARG HB2 H 1.624 0.020 2 714 68 68 ARG HB3 H 1.624 0.020 2 715 68 68 ARG HG2 H 1.335 0.020 2 716 68 68 ARG HG3 H 1.472 0.020 2 717 68 68 ARG HD2 H 3.034 0.020 2 718 68 68 ARG HD3 H 3.034 0.020 2 719 68 68 ARG C C 175.063 0.400 1 720 68 68 ARG CA C 54.676 0.400 1 721 68 68 ARG CB C 33.907 0.400 1 722 68 68 ARG CG C 27.335 0.400 1 723 68 68 ARG CD C 43.349 0.400 1 724 69 69 ILE H H 9.099 0.020 1 725 69 69 ILE HA H 3.885 0.020 1 726 69 69 ILE HB H 1.072 0.020 1 727 69 69 ILE HG12 H 0.651 0.020 2 728 69 69 ILE HG13 H 1.157 0.020 2 729 69 69 ILE HG2 H 0.425 0.020 1 730 69 69 ILE HD1 H 0.581 0.020 1 731 69 69 ILE C C 174.086 0.400 1 732 69 69 ILE CA C 60.159 0.400 1 733 69 69 ILE CB C 41.311 0.400 1 734 69 69 ILE CG1 C 27.373 0.400 1 735 69 69 ILE CG2 C 18.568 0.400 1 736 69 69 ILE CD1 C 15.728 0.400 1 737 69 69 ILE N N 122.865 0.400 1 738 70 70 LYS H H 8.106 0.020 1 739 70 70 LYS HA H 4.415 0.020 1 740 70 70 LYS HB2 H 1.740 0.020 2 741 70 70 LYS HB3 H 1.740 0.020 2 742 70 70 LYS HG2 H 1.287 0.020 2 743 70 70 LYS HG3 H 1.554 0.020 2 744 70 70 LYS HE2 H 2.612 0.020 2 745 70 70 LYS HE3 H 2.789 0.020 2 746 70 70 LYS C C 176.035 0.400 1 747 70 70 LYS CA C 56.473 0.400 1 748 70 70 LYS CB C 32.871 0.400 1 749 70 70 LYS CG C 23.859 0.400 1 750 70 70 LYS CE C 39.396 0.400 1 751 70 70 LYS N N 124.834 0.400 1 752 71 71 THR H H 8.170 0.020 1 753 71 71 THR HA H 4.160 0.020 1 754 71 71 THR HB H 4.699 0.020 1 755 71 71 THR HG2 H 1.162 0.020 1 756 71 71 THR C C 175.355 0.400 1 757 71 71 THR CA C 61.793 0.400 1 758 71 71 THR CB C 64.254 0.400 1 759 71 71 THR CG2 C 24.792 0.400 1 760 71 71 THR N N 116.072 0.400 1 761 72 72 VAL H H 8.394 0.020 1 762 72 72 VAL HA H 4.091 0.020 1 763 72 72 VAL HB H 2.204 0.020 1 764 72 72 VAL HG1 H 0.274 0.020 2 765 72 72 VAL HG2 H 0.706 0.020 2 766 72 72 VAL C C 177.985 0.400 1 767 72 72 VAL CA C 62.410 0.400 1 768 72 72 VAL CB C 31.935 0.400 1 769 72 72 VAL CG1 C 21.379 0.400 1 770 72 72 VAL CG2 C 17.358 0.400 1 771 72 72 VAL N N 113.098 0.400 1 772 73 73 GLU H H 10.255 0.020 1 773 73 73 GLU HA H 4.218 0.020 1 774 73 73 GLU HB2 H 2.264 0.020 2 775 73 73 GLU HB3 H 1.731 0.020 2 776 73 73 GLU HG2 H 1.750 0.020 2 777 73 73 GLU HG3 H 1.875 0.020 2 778 73 73 GLU CA C 59.299 0.400 1 779 73 73 GLU CB C 27.277 0.400 1 780 73 73 GLU CG C 31.628 0.400 1 781 73 73 GLU N N 119.848 0.400 1 782 74 74 HIS H H 8.223 0.020 1 783 74 74 HIS HA H 4.802 0.020 1 784 74 74 HIS HB2 H 4.007 0.020 2 785 74 74 HIS HB3 H 4.007 0.020 2 786 74 74 HIS HD2 H 7.181 0.020 1 787 74 74 HIS HE1 H 8.136 0.020 1 788 74 74 HIS C C 171.359 0.400 1 789 74 74 HIS CA C 56.798 0.400 1 790 74 74 HIS CB C 66.430 0.400 1 791 74 74 HIS N N 117.409 0.400 1 792 75 75 ILE H H 8.425 0.020 1 793 75 75 ILE HA H 3.806 0.020 1 794 75 75 ILE HB H 1.076 0.020 1 795 75 75 ILE HG12 H 0.678 0.020 2 796 75 75 ILE HG13 H 0.774 0.020 2 797 75 75 ILE HG2 H 1.070 0.020 1 798 75 75 ILE HD1 H 0.117 0.020 1 799 75 75 ILE C C 176.423 0.400 1 800 75 75 ILE CA C 61.491 0.400 1 801 75 75 ILE CB C 36.857 0.400 1 802 75 75 ILE CG1 C 29.965 0.400 1 803 75 75 ILE CG2 C 17.961 0.400 1 804 75 75 ILE CD1 C 12.933 0.400 1 805 75 75 ILE N N 118.218 0.400 1 806 76 76 LEU H H 7.691 0.020 1 807 76 76 LEU HA H 4.045 0.020 1 808 76 76 LEU HB2 H 1.569 0.020 2 809 76 76 LEU HB3 H 1.813 0.020 2 810 76 76 LEU HG H 1.979 0.020 1 811 76 76 LEU HD1 H 0.771 0.020 2 812 76 76 LEU HD2 H 0.721 0.020 2 813 76 76 LEU C C 178.276 0.400 1 814 76 76 LEU CA C 58.045 0.400 1 815 76 76 LEU CB C 40.950 0.400 1 816 76 76 LEU CG C 27.588 0.400 1 817 76 76 LEU CD1 C 26.315 0.400 1 818 76 76 LEU CD2 C 22.901 0.400 1 819 76 76 LEU N N 120.370 0.400 1 820 77 77 SER H H 7.472 0.020 1 821 77 77 SER HA H 3.505 0.020 1 822 77 77 SER HB2 H 3.212 0.020 2 823 77 77 SER HB3 H 3.002 0.020 2 824 77 77 SER C C 177.107 0.400 1 825 77 77 SER CA C 61.174 0.400 1 826 77 77 SER CB C 61.769 0.400 1 827 77 77 SER N N 114.033 0.400 1 828 78 78 VAL H H 7.306 0.020 1 829 78 78 VAL HA H 3.581 0.020 1 830 78 78 VAL HB H 2.240 0.020 1 831 78 78 VAL HG1 H 1.709 0.020 2 832 78 78 VAL HG2 H 1.047 0.020 2 833 78 78 VAL C C 177.106 0.400 1 834 78 78 VAL CA C 68.035 0.400 1 835 78 78 VAL CB C 31.637 0.400 1 836 78 78 VAL CG1 C 24.490 0.400 1 837 78 78 VAL CG2 C 22.285 0.400 1 838 78 78 VAL N N 114.966 0.400 1 839 79 79 LEU H H 7.734 0.020 1 840 79 79 LEU HA H 3.892 0.020 1 841 79 79 LEU HB2 H 1.681 0.020 2 842 79 79 LEU HB3 H 2.060 0.020 2 843 79 79 LEU HG H 1.700 0.020 1 844 79 79 LEU HD1 H 0.682 0.020 2 845 79 79 LEU HD2 H 0.675 0.020 2 846 79 79 LEU C C 177.302 0.400 1 847 79 79 LEU CA C 58.077 0.400 1 848 79 79 LEU CB C 40.328 0.400 1 849 79 79 LEU CG C 27.277 0.400 1 850 79 79 LEU CD1 C 27.301 0.400 1 851 79 79 LEU CD2 C 21.977 0.400 1 852 79 79 LEU N N 115.819 0.400 1 853 80 80 HIS H H 8.269 0.020 1 854 80 80 HIS HA H 3.477 0.020 1 855 80 80 HIS HB2 H 2.577 0.020 2 856 80 80 HIS HB3 H 3.117 0.020 2 857 80 80 HIS HD2 H 6.594 0.020 1 858 80 80 HIS HE1 H 7.100 0.020 1 859 80 80 HIS C C 179.539 0.400 1 860 80 80 HIS CA C 56.778 0.400 1 861 80 80 HIS CB C 29.729 0.400 1 862 80 80 HIS N N 119.970 0.400 1 863 81 81 LEU H H 8.697 0.020 1 864 81 81 LEU HA H 4.012 0.020 1 865 81 81 LEU HB2 H 1.373 0.020 2 866 81 81 LEU HB3 H 2.136 0.020 2 867 81 81 LEU HG H 1.973 0.020 1 868 81 81 LEU HD1 H 0.758 0.020 2 869 81 81 LEU HD2 H 0.709 0.020 2 870 81 81 LEU C C 179.246 0.400 1 871 81 81 LEU CA C 57.362 0.400 1 872 81 81 LEU CB C 43.125 0.400 1 873 81 81 LEU CG C 26.035 0.400 1 874 81 81 LEU CD1 C 26.019 0.400 1 875 81 81 LEU CD2 C 24.187 0.400 1 876 81 81 LEU N N 118.748 0.400 1 877 82 82 LEU H H 7.654 0.020 1 878 82 82 LEU HA H 4.380 0.020 1 879 82 82 LEU HB2 H 1.700 0.020 2 880 82 82 LEU HB3 H 1.584 0.020 2 881 82 82 LEU HG H 1.842 0.020 1 882 82 82 LEU HD1 H 0.687 0.020 2 883 82 82 LEU HD2 H 0.859 0.020 2 884 82 82 LEU C C 174.476 0.400 1 885 82 82 LEU CA C 54.376 0.400 1 886 82 82 LEU CB C 42.814 0.400 1 887 82 82 LEU CG C 26.967 0.400 1 888 82 82 LEU CD1 C 26.705 0.400 1 889 82 82 LEU CD2 C 22.886 0.400 1 890 82 82 LEU N N 115.533 0.400 1 891 83 83 GLU H H 7.903 0.020 1 892 83 83 GLU HA H 3.365 0.020 1 893 83 83 GLU HB2 H 2.134 0.020 2 894 83 83 GLU HB3 H 2.295 0.020 2 895 83 83 GLU HG2 H 2.239 0.020 2 896 83 83 GLU HG3 H 2.457 0.020 2 897 83 83 GLU C C 174.770 0.400 1 898 83 83 GLU CA C 58.069 0.400 1 899 83 83 GLU CB C 27.277 0.400 1 900 83 83 GLU CG C 37.892 0.400 1 901 83 83 GLU N N 116.611 0.400 1 902 84 84 ILE H H 8.303 0.020 1 903 84 84 ILE HA H 3.944 0.020 1 904 84 84 ILE HB H 1.962 0.020 1 905 84 84 ILE HG12 H 1.224 0.020 2 906 84 84 ILE HG13 H 1.395 0.020 2 907 84 84 ILE HG2 H 0.713 0.020 1 908 84 84 ILE HD1 H 0.552 0.020 1 909 84 84 ILE C C 177.107 0.400 1 910 84 84 ILE CA C 60.154 0.400 1 911 84 84 ILE CB C 35.644 0.400 1 912 84 84 ILE CG1 C 26.755 0.400 1 913 84 84 ILE CG2 C 18.251 0.400 1 914 84 84 ILE CD1 C 11.130 0.400 1 915 84 84 ILE N N 115.777 0.400 1 916 85 85 THR H H 8.217 0.020 1 917 85 85 THR HA H 4.479 0.020 1 918 85 85 THR HB H 4.399 0.020 1 919 85 85 THR HG1 H 3.010 0.020 1 920 85 85 THR HG2 H 1.199 0.020 1 921 85 85 THR C C 173.018 0.400 1 922 85 85 THR CA C 62.131 0.400 1 923 85 85 THR CB C 71.544 0.400 1 924 85 85 THR CG2 C 20.769 0.400 1 925 85 85 THR N N 116.608 0.400 1 926 86 86 ASN H H 7.514 0.020 1 927 86 86 ASN HA H 5.412 0.020 1 928 86 86 ASN HB2 H 2.663 0.020 2 929 86 86 ASN HB3 H 2.216 0.020 2 930 86 86 ASN C C 173.310 0.400 1 931 86 86 ASN CA C 51.850 0.400 1 932 86 86 ASN CB C 42.788 0.400 1 933 86 86 ASN N N 118.616 0.400 1 934 87 87 VAL H H 8.079 0.020 1 935 87 87 VAL HA H 4.636 0.020 1 936 87 87 VAL HB H 1.956 0.020 1 937 87 87 VAL HG1 H 0.891 0.020 2 938 87 87 VAL HG2 H 0.771 0.020 2 939 87 87 VAL C C 173.697 0.400 1 940 87 87 VAL CA C 61.498 0.400 1 941 87 87 VAL CB C 37.475 0.400 1 942 87 87 VAL CG1 C 25.099 0.400 1 943 87 87 VAL CG2 C 21.681 0.400 1 944 87 87 VAL N N 120.389 0.400 1 945 88 88 THR H H 8.219 0.020 1 946 88 88 THR HA H 5.170 0.020 1 947 88 88 THR HB H 3.908 0.020 1 948 88 88 THR HG2 H 1.060 0.020 1 949 88 88 THR C C 173.796 0.400 1 950 88 88 THR CA C 61.505 0.400 1 951 88 88 THR CB C 69.842 0.400 1 952 88 88 THR CG2 C 23.579 0.400 1 953 88 88 THR N N 119.786 0.400 1 954 89 89 ILE H H 9.299 0.020 1 955 89 89 ILE HA H 4.579 0.020 1 956 89 89 ILE HB H 1.504 0.020 1 957 89 89 ILE HG12 H 0.540 0.020 2 958 89 89 ILE HG13 H 1.148 0.020 2 959 89 89 ILE HG2 H 0.809 0.020 1 960 89 89 ILE HD1 H 0.071 0.020 1 961 89 89 ILE C C 174.474 0.400 1 962 89 89 ILE CA C 60.182 0.400 1 963 89 89 ILE CB C 37.236 0.400 1 964 89 89 ILE CG1 C 27.641 0.400 1 965 89 89 ILE CG2 C 19.460 0.400 1 966 89 89 ILE CD1 C 13.939 0.400 1 967 89 89 ILE N N 128.751 0.400 1 968 90 90 GLU H H 9.958 0.020 1 969 90 90 GLU HA H 5.417 0.020 1 970 90 90 GLU HB2 H 1.774 0.020 2 971 90 90 GLU HB3 H 2.041 0.020 2 972 90 90 GLU HG2 H 2.708 0.020 2 973 90 90 GLU HG3 H 2.708 0.020 2 974 90 90 GLU C C 175.158 0.400 1 975 90 90 GLU CA C 55.244 0.400 1 976 90 90 GLU N N 132.138 0.400 1 977 91 91 VAL H H 8.938 0.020 1 978 91 91 VAL HA H 4.656 0.020 1 979 91 91 VAL HB H 1.944 0.020 1 980 91 91 VAL HG1 H 0.672 0.020 2 981 91 91 VAL HG2 H 1.081 0.020 2 982 91 91 VAL C C 174.672 0.400 1 983 91 91 VAL CA C 61.228 0.400 1 984 91 91 VAL CB C 33.886 0.400 1 985 91 91 VAL CG1 C 19.892 0.400 1 986 91 91 VAL CG2 C 22.283 0.400 1 987 91 91 VAL N N 127.363 0.400 1 988 92 92 ILE H H 9.281 0.020 1 989 92 92 ILE HA H 4.375 0.020 1 990 92 92 ILE HB H 2.079 0.020 1 991 92 92 ILE HG12 H 1.230 0.020 2 992 92 92 ILE HG13 H 1.491 0.020 2 993 92 92 ILE HG2 H 1.014 0.020 1 994 92 92 ILE HD1 H 0.894 0.020 1 995 92 92 ILE C C 175.452 0.400 1 996 92 92 ILE CA C 60.774 0.400 1 997 92 92 ILE CB C 37.062 0.400 1 998 92 92 ILE CG1 C 27.658 0.400 1 999 92 92 ILE CG2 C 18.254 0.400 1 1000 92 92 ILE CD1 C 13.964 0.400 1 1001 92 92 ILE N N 130.869 0.400 1 1002 93 93 GLY H H 7.801 0.020 1 1003 93 93 GLY HA2 H 4.839 0.020 2 1004 93 93 GLY HA3 H 3.921 0.020 2 1005 93 93 GLY C C 173.309 0.400 1 1006 93 93 GLY CA C 43.734 0.400 1 1007 93 93 GLY N N 111.731 0.400 1 1008 94 94 ASN H H 8.955 0.020 1 1009 94 94 ASN HA H 4.833 0.020 1 1010 94 94 ASN HB2 H 2.596 0.020 2 1011 94 94 ASN HB3 H 2.892 0.020 2 1012 94 94 ASN C C 174.671 0.400 1 1013 94 94 ASN CA C 53.339 0.400 1 1014 94 94 ASN CB C 40.431 0.400 1 1015 94 94 ASN N N 114.584 0.400 1 1016 95 95 GLU H H 7.454 0.020 1 1017 95 95 GLU HA H 4.863 0.020 1 1018 95 95 GLU HB2 H 1.611 0.020 2 1019 95 95 GLU HB3 H 1.611 0.020 2 1020 95 95 GLU HG2 H 2.355 0.020 2 1021 95 95 GLU HG3 H 2.641 0.020 2 1022 95 95 GLU C C 173.502 0.400 1 1023 95 95 GLU CA C 54.004 0.400 1 1024 95 95 GLU CG C 34.735 0.400 1 1025 95 95 GLU N N 120.925 0.400 1 1026 96 96 ILE H H 7.522 0.020 1 1027 96 96 ILE HA H 4.102 0.020 1 1028 96 96 ILE HB H 2.549 0.020 1 1029 96 96 ILE HG12 H 1.657 0.020 2 1030 96 96 ILE HG13 H 1.657 0.020 2 1031 96 96 ILE HG2 H 1.241 0.020 1 1032 96 96 ILE HD1 H 0.726 0.020 1 1033 96 96 ILE CA C 56.735 0.400 1 1034 96 96 ILE CB C 35.059 0.400 1 1035 96 96 ILE CG1 C 27.630 0.400 1 1036 96 96 ILE CG2 C 16.744 0.400 1 1037 96 96 ILE CD1 C 10.219 0.400 1 1038 96 96 ILE N N 124.849 0.400 1 1039 97 97 PRO HA H 3.935 0.020 1 1040 97 97 PRO HB2 H 1.616 0.020 2 1041 97 97 PRO HB3 H 1.892 0.020 2 1042 97 97 PRO HG2 H 1.689 0.020 2 1043 97 97 PRO HG3 H 1.898 0.020 2 1044 97 97 PRO HD2 H 3.565 0.020 2 1045 97 97 PRO HD3 H 3.765 0.020 2 1046 97 97 PRO C C 175.939 0.400 1 1047 97 97 PRO CA C 63.276 0.400 1 1048 97 97 PRO CB C 32.224 0.400 1 1049 97 97 PRO CG C 27.335 0.400 1 1050 97 97 PRO CD C 50.582 0.400 1 1051 98 98 ILE H H 8.264 0.020 1 1052 98 98 ILE HA H 4.540 0.020 1 1053 98 98 ILE HB H 2.146 0.020 1 1054 98 98 ILE HG12 H 1.329 0.020 2 1055 98 98 ILE HG13 H 1.499 0.020 2 1056 98 98 ILE HG2 H 0.920 0.020 1 1057 98 98 ILE HD1 H 1.181 0.020 1 1058 98 98 ILE C C 176.425 0.400 1 1059 98 98 ILE CA C 57.043 0.400 1 1060 98 98 ILE CB C 39.073 0.400 1 1061 98 98 ILE CG2 C 18.887 0.400 1 1062 98 98 ILE CD1 C 13.341 0.400 1 1063 98 98 ILE N N 121.602 0.400 1 1064 99 99 LEU H H 9.195 0.020 1 1065 99 99 LEU HA H 3.884 0.020 1 1066 99 99 LEU HB2 H 1.375 0.020 2 1067 99 99 LEU HB3 H 2.170 0.020 2 1068 99 99 LEU HG H 1.187 0.020 1 1069 99 99 LEU HD1 H 0.008 0.020 2 1070 99 99 LEU HD2 H 0.766 0.020 2 1071 99 99 LEU C C 176.326 0.400 1 1072 99 99 LEU CA C 56.152 0.400 1 1073 99 99 LEU CB C 35.951 0.400 1 1074 99 99 LEU CG C 26.519 0.400 1 1075 99 99 LEU CD1 C 26.001 0.400 1 1076 99 99 LEU CD2 C 22.558 0.400 1 1077 99 99 LEU N N 124.290 0.400 1 1078 100 100 ASP H H 7.456 0.020 1 1079 100 100 ASP HA H 4.841 0.020 1 1080 100 100 ASP HB2 H 2.822 0.020 2 1081 100 100 ASP HB3 H 3.263 0.020 2 1082 100 100 ASP C C 175.934 0.400 1 1083 100 100 ASP CA C 53.650 0.400 1 1084 100 100 ASP CB C 41.250 0.400 1 1085 100 100 ASP N N 121.714 0.400 1 1086 101 101 GLY H H 8.267 0.020 1 1087 101 101 GLY HA2 H 3.518 0.020 2 1088 101 101 GLY HA3 H 4.907 0.020 2 1089 101 101 GLY C C 173.989 0.400 1 1090 101 101 GLY CA C 45.916 0.400 1 1091 101 101 GLY N N 105.798 0.400 1 1092 102 102 SER H H 8.577 0.020 1 1093 102 102 SER HA H 4.881 0.020 1 1094 102 102 SER HB2 H 3.057 0.020 2 1095 102 102 SER HB3 H 3.893 0.020 2 1096 102 102 SER C C 175.739 0.400 1 1097 102 102 SER CA C 56.156 0.400 1 1098 102 102 SER CB C 67.659 0.400 1 1099 102 102 SER N N 118.349 0.400 1 1100 103 103 GLY H H 8.410 0.020 1 1101 103 103 GLY HA2 H 4.549 0.020 2 1102 103 103 GLY HA3 H 3.543 0.020 2 1103 103 103 GLY C C 174.671 0.400 1 1104 103 103 GLY CA C 46.244 0.400 1 1105 103 103 GLY N N 108.523 0.400 1 1106 104 104 TRP H H 8.762 0.020 1 1107 104 104 TRP HA H 4.243 0.020 1 1108 104 104 TRP HB2 H 3.390 0.020 2 1109 104 104 TRP HB3 H 3.152 0.020 2 1110 104 104 TRP HD1 H 7.118 0.020 1 1111 104 104 TRP HE1 H 9.965 0.020 1 1112 104 104 TRP HE3 H 7.345 0.020 1 1113 104 104 TRP HZ2 H 7.425 0.020 1 1114 104 104 TRP HZ3 H 6.809 0.020 1 1115 104 104 TRP C C 176.038 0.400 1 1116 104 104 TRP CA C 61.491 0.400 1 1117 104 104 TRP CB C 31.304 0.400 1 1118 104 104 TRP N N 124.015 0.400 1 1119 104 104 TRP NE1 N 128.204 0.400 1 1120 105 105 GLU H H 9.101 0.020 1 1121 105 105 GLU HA H 3.685 0.020 1 1122 105 105 GLU HB2 H 1.917 0.020 2 1123 105 105 GLU HB3 H 1.917 0.020 2 1124 105 105 GLU HG2 H 2.236 0.020 2 1125 105 105 GLU HG3 H 2.382 0.020 2 1126 105 105 GLU C C 180.710 0.400 1 1127 105 105 GLU CA C 59.883 0.400 1 1128 105 105 GLU CB C 28.805 0.400 1 1129 105 105 GLU CG C 37.297 0.400 1 1130 105 105 GLU N N 115.937 0.400 1 1131 106 106 PHE H H 6.817 0.020 1 1132 106 106 PHE HA H 4.319 0.020 1 1133 106 106 PHE HB2 H 3.111 0.020 2 1134 106 106 PHE HB3 H 2.830 0.020 2 1135 106 106 PHE HD1 H 6.203 0.020 1 1136 106 106 PHE HD2 H 6.203 0.020 1 1137 106 106 PHE HE1 H 6.915 0.020 1 1138 106 106 PHE HE2 H 6.915 0.020 1 1139 106 106 PHE HZ H 7.217 0.020 1 1140 106 106 PHE C C 176.425 0.400 1 1141 106 106 PHE CA C 58.679 0.400 1 1142 106 106 PHE CB C 39.680 0.400 1 1143 106 106 PHE N N 113.463 0.400 1 1144 107 107 TYR H H 8.523 0.020 1 1145 107 107 TYR HA H 3.778 0.020 1 1146 107 107 TYR HB2 H 2.902 0.020 2 1147 107 107 TYR HB3 H 3.091 0.020 2 1148 107 107 TYR HD1 H 6.865 0.020 1 1149 107 107 TYR HD2 H 6.865 0.020 1 1150 107 107 TYR HE1 H 6.827 0.020 1 1151 107 107 TYR HE2 H 6.827 0.020 1 1152 107 107 TYR C C 175.836 0.400 1 1153 107 107 TYR CA C 61.799 0.400 1 1154 107 107 TYR CB C 39.684 0.400 1 1155 107 107 TYR N N 119.672 0.400 1 1156 108 108 GLU H H 8.709 0.020 1 1157 108 108 GLU HA H 3.554 0.020 1 1158 108 108 GLU HB2 H 1.393 0.020 2 1159 108 108 GLU HB3 H 1.072 0.020 2 1160 108 108 GLU HG2 H 1.769 0.020 2 1161 108 108 GLU HG3 H 1.769 0.020 2 1162 108 108 GLU C C 178.080 0.400 1 1163 108 108 GLU CA C 58.689 0.400 1 1164 108 108 GLU CB C 28.809 0.400 1 1165 108 108 GLU CG C 35.648 0.400 1 1166 108 108 GLU N N 118.085 0.400 1 1167 109 109 ALA H H 6.849 0.020 1 1168 109 109 ALA HA H 4.164 0.020 1 1169 109 109 ALA HB H 1.731 0.020 1 1170 109 109 ALA C C 179.930 0.400 1 1171 109 109 ALA CA C 54.381 0.400 1 1172 109 109 ALA CB C 19.849 0.400 1 1173 109 109 ALA N N 117.140 0.400 1 1174 110 110 ILE H H 8.403 0.020 1 1175 110 110 ILE HA H 3.500 0.020 1 1176 110 110 ILE HB H 1.508 0.020 1 1177 110 110 ILE HG12 H 0.771 0.020 2 1178 110 110 ILE HG13 H 2.179 0.020 2 1179 110 110 ILE HG2 H 0.628 0.020 1 1180 110 110 ILE HD1 H 0.659 0.020 1 1181 110 110 ILE C C 178.370 0.400 1 1182 110 110 ILE CA C 65.809 0.400 1 1183 110 110 ILE CB C 37.537 0.400 1 1184 110 110 ILE CG1 C 30.724 0.400 1 1185 110 110 ILE CG2 C 18.547 0.400 1 1186 110 110 ILE CD1 C 13.629 0.400 1 1187 110 110 ILE N N 116.592 0.400 1 1188 111 111 ARG H H 8.363 0.020 1 1189 111 111 ARG HA H 3.851 0.020 1 1190 111 111 ARG HB2 H 1.404 0.020 2 1191 111 111 ARG HB3 H 1.561 0.020 2 1192 111 111 ARG HG2 H 1.615 0.020 2 1193 111 111 ARG HG3 H 1.286 0.020 2 1194 111 111 ARG HD2 H 2.412 0.020 2 1195 111 111 ARG HD3 H 2.851 0.020 2 1196 111 111 ARG C C 177.398 0.400 1 1197 111 111 ARG CA C 58.996 0.400 1 1198 111 111 ARG CB C 28.805 0.400 1 1199 111 111 ARG CG C 26.264 0.400 1 1200 111 111 ARG CD C 43.064 0.400 1 1201 111 111 ARG N N 117.540 0.400 1 1202 112 112 LYS H H 6.735 0.020 1 1203 112 112 LYS HA H 4.348 0.020 1 1204 112 112 LYS HB2 H 1.901 0.020 2 1205 112 112 LYS HB3 H 1.901 0.020 2 1206 112 112 LYS HG2 H 1.501 0.020 2 1207 112 112 LYS HG3 H 1.501 0.020 2 1208 112 112 LYS HD2 H 1.738 0.020 2 1209 112 112 LYS HD3 H 1.738 0.020 2 1210 112 112 LYS HE2 H 3.049 0.020 2 1211 112 112 LYS HE3 H 3.049 0.020 2 1212 112 112 LYS C C 176.134 0.400 1 1213 112 112 LYS CA C 56.463 0.400 1 1214 112 112 LYS CB C 32.218 0.400 1 1215 112 112 LYS CG C 24.524 0.400 1 1216 112 112 LYS CD C 28.798 0.400 1 1217 112 112 LYS CE C 41.907 0.400 1 1218 112 112 LYS N N 115.798 0.400 1 1219 113 113 ASN H H 8.036 0.020 1 1220 113 113 ASN HA H 4.989 0.020 1 1221 113 113 ASN HB2 H 2.507 0.020 2 1222 113 113 ASN HB3 H 3.028 0.020 2 1223 113 113 ASN HD21 H 7.111 0.020 2 1224 113 113 ASN HD22 H 7.531 0.020 2 1225 113 113 ASN C C 173.795 0.400 1 1226 113 113 ASN CA C 53.083 0.400 1 1227 113 113 ASN CB C 42.192 0.400 1 1228 113 113 ASN N N 119.437 0.400 1 1229 113 113 ASN ND2 N 114.845 0.400 1 1230 114 114 ILE H H 7.476 0.020 1 1231 114 114 ILE HA H 4.003 0.020 1 1232 114 114 ILE HB H 1.774 0.020 1 1233 114 114 ILE HG12 H 2.042 0.020 2 1234 114 114 ILE HG13 H 2.042 0.020 2 1235 114 114 ILE HG2 H 0.894 0.020 1 1236 114 114 ILE HD1 H 0.968 0.020 1 1237 114 114 ILE C C 174.865 0.400 1 1238 114 114 ILE CA C 63.755 0.400 1 1239 114 114 ILE CB C 39.065 0.400 1 1240 114 114 ILE CG1 C 28.807 0.400 1 1241 114 114 ILE CG2 C 17.966 0.400 1 1242 114 114 ILE CD1 C 14.547 0.400 1 1243 114 114 ILE N N 121.699 0.400 1 1244 115 115 LEU H H 8.572 0.020 1 1245 115 115 LEU HA H 4.668 0.020 1 1246 115 115 LEU HB2 H 0.864 0.020 2 1247 115 115 LEU HB3 H 1.546 0.020 2 1248 115 115 LEU HG H 1.373 0.020 1 1249 115 115 LEU HD1 H 0.987 0.020 2 1250 115 115 LEU HD2 H 0.815 0.020 2 1251 115 115 LEU C C 175.061 0.400 1 1252 115 115 LEU CA C 53.343 0.400 1 1253 115 115 LEU CB C 44.710 0.400 1 1254 115 115 LEU CG C 26.546 0.400 1 1255 115 115 LEU CD1 C 23.625 0.400 1 1256 115 115 LEU CD2 C 25.687 0.400 1 1257 115 115 LEU N N 129.688 0.400 1 1258 116 116 ASN H H 8.697 0.020 1 1259 116 116 ASN HA H 4.822 0.020 1 1260 116 116 ASN HB2 H 2.670 0.020 2 1261 116 116 ASN HB3 H 2.806 0.020 2 1262 116 116 ASN C C 175.543 0.400 1 1263 116 116 ASN CA C 54.253 0.400 1 1264 116 116 ASN CB C 39.342 0.400 1 1265 116 116 ASN N N 125.910 0.400 1 1266 117 117 GLN H H 9.039 0.020 1 1267 117 117 GLN HA H 4.451 0.020 1 1268 117 117 GLN HB2 H 2.351 0.020 2 1269 117 117 GLN HB3 H 2.351 0.020 2 1270 117 117 GLN HG2 H 1.643 0.020 2 1271 117 117 GLN HG3 H 1.839 0.020 2 1272 117 117 GLN HE21 H 6.782 0.020 2 1273 117 117 GLN HE22 H 7.397 0.020 2 1274 117 117 GLN C C 174.673 0.400 1 1275 117 117 GLN CA C 54.962 0.400 1 1276 117 117 GLN CB C 29.453 0.400 1 1277 117 117 GLN CG C 30.385 0.400 1 1278 117 117 GLN N N 122.950 0.400 1 1279 117 117 GLN NE2 N 112.147 0.400 1 1280 118 118 ASN H H 8.642 0.020 1 1281 118 118 ASN HA H 4.979 0.020 1 1282 118 118 ASN HB2 H 2.751 0.020 2 1283 118 118 ASN HB3 H 2.889 0.020 2 1284 118 118 ASN C C 174.964 0.400 1 1285 118 118 ASN CA C 53.706 0.400 1 1286 118 118 ASN CB C 39.342 0.400 1 1287 118 118 ASN N N 116.312 0.400 1 1288 119 119 ARG H H 7.348 0.020 1 1289 119 119 ARG HA H 4.405 0.020 1 1290 119 119 ARG HB2 H 1.481 0.020 2 1291 119 119 ARG HB3 H 1.656 0.020 2 1292 119 119 ARG HG2 H 1.695 0.020 2 1293 119 119 ARG HG3 H 1.695 0.020 2 1294 119 119 ARG HD2 H 2.990 0.020 2 1295 119 119 ARG HD3 H 3.156 0.020 2 1296 119 119 ARG C C 174.377 0.400 1 1297 119 119 ARG CA C 55.227 0.400 1 1298 119 119 ARG CB C 33.181 0.400 1 1299 119 119 ARG N N 118.915 0.400 1 1300 120 120 GLU H H 8.625 0.020 1 1301 120 120 GLU HA H 4.480 0.020 1 1302 120 120 GLU HB2 H 1.907 0.020 2 1303 120 120 GLU HB3 H 2.049 0.020 2 1304 120 120 GLU HG2 H 2.260 0.020 2 1305 120 120 GLU HG3 H 2.416 0.020 2 1306 120 120 GLU C C 176.426 0.400 1 1307 120 120 GLU CA C 56.763 0.400 1 1308 120 120 GLU CB C 30.186 0.400 1 1309 120 120 GLU CG C 36.492 0.400 1 1310 120 120 GLU N N 125.105 0.400 1 1311 121 121 ILE H H 8.386 0.020 1 1312 121 121 ILE HA H 3.746 0.020 1 1313 121 121 ILE HB H 1.062 0.020 1 1314 121 121 ILE HG12 H 1.546 0.020 2 1315 121 121 ILE HG13 H 1.546 0.020 2 1316 121 121 ILE HG2 H -0.072 0.020 1 1317 121 121 ILE HD1 H 0.768 0.020 1 1318 121 121 ILE C C 176.132 0.400 1 1319 121 121 ILE CA C 62.107 0.400 1 1320 121 121 ILE CB C 39.947 0.400 1 1321 121 121 ILE CG2 C 15.759 0.400 1 1322 121 121 ILE CD1 C 14.845 0.400 1 1323 121 121 ILE N N 122.929 0.400 1 1324 122 122 ASP H H 8.495 0.020 1 1325 122 122 ASP HA H 4.889 0.020 1 1326 122 122 ASP HB2 H 2.553 0.020 2 1327 122 122 ASP HB3 H 2.725 0.020 2 1328 122 122 ASP C C 174.963 0.400 1 1329 122 122 ASP CA C 52.433 0.400 1 1330 122 122 ASP CB C 40.482 0.400 1 1331 122 122 ASP N N 127.956 0.400 1 1332 123 123 TYR H H 7.771 0.020 1 1333 123 123 TYR HA H 4.265 0.020 1 1334 123 123 TYR HB2 H 2.617 0.020 2 1335 123 123 TYR HB3 H 2.843 0.020 2 1336 123 123 TYR HD1 H 7.172 0.020 1 1337 123 123 TYR HD2 H 7.172 0.020 1 1338 123 123 TYR HE1 H 6.907 0.020 1 1339 123 123 TYR HE2 H 6.907 0.020 1 1340 123 123 TYR C C 176.426 0.400 1 1341 123 123 TYR CA C 59.891 0.400 1 1342 123 123 TYR CB C 38.773 0.400 1 1343 123 123 TYR N N 122.666 0.400 1 1344 124 124 PHE H H 9.359 0.020 1 1345 124 124 PHE HA H 4.440 0.020 1 1346 124 124 PHE HB2 H 2.758 0.020 2 1347 124 124 PHE HB3 H 3.299 0.020 2 1348 124 124 PHE HD1 H 7.232 0.020 1 1349 124 124 PHE HD2 H 7.232 0.020 1 1350 124 124 PHE HE1 H 7.244 0.020 1 1351 124 124 PHE HE2 H 7.244 0.020 1 1352 124 124 PHE HZ H 7.236 0.020 1 1353 124 124 PHE C C 174.186 0.400 1 1354 124 124 PHE CA C 58.405 0.400 1 1355 124 124 PHE CB C 39.077 0.400 1 1356 124 124 PHE N N 124.022 0.400 1 1357 125 125 VAL H H 7.886 0.020 1 1358 125 125 VAL HA H 4.742 0.020 1 1359 125 125 VAL HB H 1.915 0.020 1 1360 125 125 VAL HG1 H 0.858 0.020 2 1361 125 125 VAL HG2 H 0.833 0.020 2 1362 125 125 VAL C C 175.836 0.400 1 1363 125 125 VAL CA C 60.449 0.400 1 1364 125 125 VAL CB C 33.358 0.400 1 1365 125 125 VAL CG1 C 21.389 0.400 1 1366 125 125 VAL CG2 C 20.534 0.400 1 1367 125 125 VAL N N 128.334 0.400 1 1368 126 126 VAL H H 8.028 0.020 1 1369 126 126 VAL HA H 3.848 0.020 1 1370 126 126 VAL HB H 1.941 0.020 1 1371 126 126 VAL HG1 H 0.610 0.020 2 1372 126 126 VAL HG2 H 1.138 0.020 2 1373 126 126 VAL C C 176.619 0.400 1 1374 126 126 VAL CA C 64.000 0.400 1 1375 126 126 VAL CB C 31.933 0.400 1 1376 126 126 VAL CG1 C 21.077 0.400 1 1377 126 126 VAL CG2 C 22.617 0.400 1 1378 126 126 VAL N N 126.072 0.400 1 1379 127 127 GLU H H 8.714 0.020 1 1380 127 127 GLU HA H 4.351 0.020 1 1381 127 127 GLU HB2 H 1.949 0.020 2 1382 127 127 GLU HB3 H 2.100 0.020 2 1383 127 127 GLU HG2 H 2.147 0.020 2 1384 127 127 GLU HG3 H 2.343 0.020 2 1385 127 127 GLU C C 175.840 0.400 1 1386 127 127 GLU CA C 57.492 0.400 1 1387 127 127 GLU CB C 31.933 0.400 1 1388 127 127 GLU CG C 36.777 0.400 1 1389 127 127 GLU N N 127.637 0.400 1 1390 128 128 GLU H H 7.607 0.020 1 1391 128 128 GLU HA H 4.801 0.020 1 1392 128 128 GLU HB2 H 1.949 0.020 2 1393 128 128 GLU HB3 H 2.090 0.020 2 1394 128 128 GLU HG2 H 2.181 0.020 2 1395 128 128 GLU HG3 H 2.251 0.020 2 1396 128 128 GLU CA C 53.044 0.400 1 1397 128 128 GLU CB C 31.641 0.400 1 1398 128 128 GLU CG C 35.354 0.400 1 1399 128 128 GLU N N 117.687 0.400 1 1400 129 129 PRO HA H 5.194 0.020 1 1401 129 129 PRO HB2 H 2.302 0.020 2 1402 129 129 PRO HB3 H 1.972 0.020 2 1403 129 129 PRO HG2 H 1.955 0.020 2 1404 129 129 PRO HG3 H 2.222 0.020 2 1405 129 129 PRO HD2 H 3.739 0.020 2 1406 129 129 PRO HD3 H 3.739 0.020 2 1407 129 129 PRO C C 176.619 0.400 1 1408 129 129 PRO CA C 62.413 0.400 1 1409 129 129 PRO CB C 32.230 0.400 1 1410 129 129 PRO CG C 27.925 0.400 1 1411 129 129 PRO CD C 50.498 0.400 1 1412 130 130 ILE H H 8.667 0.020 1 1413 130 130 ILE HA H 4.575 0.020 1 1414 130 130 ILE HB H 1.825 0.020 1 1415 130 130 ILE HG12 H 1.156 0.020 2 1416 130 130 ILE HG13 H 1.616 0.020 2 1417 130 130 ILE HG2 H 0.932 0.020 1 1418 130 130 ILE HD1 H 0.899 0.020 1 1419 130 130 ILE C C 172.916 0.400 1 1420 130 130 ILE CA C 59.876 0.400 1 1421 130 130 ILE CB C 41.901 0.400 1 1422 130 130 ILE CG1 C 27.943 0.400 1 1423 130 130 ILE CG2 C 17.066 0.400 1 1424 130 130 ILE CD1 C 13.961 0.400 1 1425 130 130 ILE N N 121.327 0.400 1 1426 131 131 ILE H H 8.147 0.020 1 1427 131 131 ILE HA H 5.144 0.020 1 1428 131 131 ILE HB H 1.722 0.020 1 1429 131 131 ILE HG12 H 0.997 0.020 2 1430 131 131 ILE HG13 H 1.645 0.020 2 1431 131 131 ILE HG2 H 0.920 0.020 1 1432 131 131 ILE HD1 H 0.909 0.020 1 1433 131 131 ILE C C 175.547 0.400 1 1434 131 131 ILE CA C 60.165 0.400 1 1435 131 131 ILE CB C 41.614 0.400 1 1436 131 131 ILE CG1 C 28.516 0.400 1 1437 131 131 ILE CG2 C 17.015 0.400 1 1438 131 131 ILE CD1 C 13.969 0.400 1 1439 131 131 ILE N N 124.706 0.400 1 1440 132 132 VAL H H 9.107 0.020 1 1441 132 132 VAL HA H 4.548 0.020 1 1442 132 132 VAL HB H 2.011 0.020 1 1443 132 132 VAL HG1 H 0.909 0.020 2 1444 132 132 VAL HG2 H 0.929 0.020 2 1445 132 132 VAL C C 173.696 0.400 1 1446 132 132 VAL CA C 60.759 0.400 1 1447 132 132 VAL CB C 34.473 0.400 1 1448 132 132 VAL CG1 C 21.681 0.400 1 1449 132 132 VAL CG2 C 21.077 0.400 1 1450 132 132 VAL N N 124.291 0.400 1 1451 133 133 GLU H H 8.486 0.020 1 1452 133 133 GLU HA H 5.243 0.020 1 1453 133 133 GLU HB2 H 1.930 0.020 2 1454 133 133 GLU HB3 H 2.102 0.020 2 1455 133 133 GLU HG2 H 2.208 0.020 2 1456 133 133 GLU HG3 H 2.208 0.020 2 1457 133 133 GLU C C 175.314 0.400 1 1458 133 133 GLU CA C 54.959 0.400 1 1459 133 133 GLU CB C 33.833 0.400 1 1460 133 133 GLU CG C 36.586 0.400 1 1461 133 133 GLU N N 123.499 0.400 1 1462 134 134 ASP H H 8.547 0.020 1 1463 134 134 ASP HA H 4.715 0.020 1 1464 134 134 ASP HB2 H 2.530 0.020 2 1465 134 134 ASP HB3 H 2.530 0.020 2 1466 134 134 ASP C C 175.451 0.400 1 1467 134 134 ASP CA C 54.336 0.400 1 1468 134 134 ASP CB C 44.087 0.400 1 1469 134 134 ASP N N 121.699 0.400 1 1470 135 135 GLU H H 9.048 0.020 1 1471 135 135 GLU HA H 3.961 0.020 1 1472 135 135 GLU HB2 H 1.999 0.020 2 1473 135 135 GLU HB3 H 2.179 0.020 2 1474 135 135 GLU HG2 H 2.237 0.020 2 1475 135 135 GLU HG3 H 2.331 0.020 2 1476 135 135 GLU C C 176.329 0.400 1 1477 135 135 GLU CA C 57.294 0.400 1 1478 135 135 GLU CB C 28.228 0.400 1 1479 135 135 GLU CG C 36.492 0.400 1 1480 135 135 GLU N N 124.439 0.400 1 1481 136 136 GLY H H 8.795 0.020 1 1482 136 136 GLY HA2 H 3.747 0.020 2 1483 136 136 GLY HA3 H 4.135 0.020 2 1484 136 136 GLY C C 174.087 0.400 1 1485 136 136 GLY CA C 45.614 0.400 1 1486 136 136 GLY N N 108.904 0.400 1 1487 137 137 ARG H H 7.878 0.020 1 1488 137 137 ARG HA H 4.805 0.020 1 1489 137 137 ARG HB2 H 1.798 0.020 2 1490 137 137 ARG HB3 H 1.588 0.020 2 1491 137 137 ARG HG2 H 1.551 0.020 2 1492 137 137 ARG HG3 H 1.599 0.020 2 1493 137 137 ARG HD2 H 3.164 0.020 2 1494 137 137 ARG HD3 H 3.355 0.020 2 1495 137 137 ARG C C 175.347 0.400 1 1496 137 137 ARG CA C 54.363 0.400 1 1497 137 137 ARG CB C 32.249 0.400 1 1498 137 137 ARG CG C 27.623 0.400 1 1499 137 137 ARG CD C 43.617 0.400 1 1500 137 137 ARG N N 120.097 0.400 1 1501 138 138 LEU H H 8.563 0.020 1 1502 138 138 LEU HA H 5.359 0.020 1 1503 138 138 LEU HB2 H 1.847 0.020 2 1504 138 138 LEU HB3 H 1.783 0.020 2 1505 138 138 LEU HG H 1.784 0.020 1 1506 138 138 LEU HD1 H 0.955 0.020 2 1507 138 138 LEU HD2 H 0.918 0.020 2 1508 138 138 LEU C C 174.281 0.400 1 1509 138 138 LEU CA C 55.278 0.400 1 1510 138 138 LEU CB C 46.547 0.400 1 1511 138 138 LEU CG C 26.755 0.400 1 1512 138 138 LEU CD1 C 25.704 0.400 1 1513 138 138 LEU CD2 C 26.302 0.400 1 1514 138 138 LEU N N 121.860 0.400 1 1515 139 139 ILE H H 9.160 0.020 1 1516 139 139 ILE HA H 5.610 0.020 1 1517 139 139 ILE HB H 1.762 0.020 1 1518 139 139 ILE HG12 H 1.327 0.020 2 1519 139 139 ILE HG13 H 1.824 0.020 2 1520 139 139 ILE HG2 H 1.094 0.020 1 1521 139 139 ILE HD1 H 1.060 0.020 1 1522 139 139 ILE C C 172.627 0.400 1 1523 139 139 ILE CA C 60.485 0.400 1 1524 139 139 ILE CB C 41.903 0.400 1 1525 139 139 ILE CG1 C 27.643 0.400 1 1526 139 139 ILE CG2 C 17.963 0.400 1 1527 139 139 ILE CD1 C 15.754 0.400 1 1528 139 139 ILE N N 122.037 0.400 1 1529 140 140 LYS H H 9.458 0.020 1 1530 140 140 LYS HA H 5.509 0.020 1 1531 140 140 LYS HB2 H 1.986 0.020 2 1532 140 140 LYS HB3 H 1.849 0.020 2 1533 140 140 LYS HG2 H 1.220 0.020 2 1534 140 140 LYS HG3 H 1.440 0.020 2 1535 140 140 LYS HD2 H 1.613 0.020 2 1536 140 140 LYS HD3 H 1.613 0.020 2 1537 140 140 LYS HE2 H 2.760 0.020 2 1538 140 140 LYS HE3 H 2.760 0.020 2 1539 140 140 LYS C C 174.574 0.400 1 1540 140 140 LYS CA C 54.035 0.400 1 1541 140 140 LYS CB C 36.844 0.400 1 1542 140 140 LYS CG C 25.094 0.400 1 1543 140 140 LYS CD C 29.389 0.400 1 1544 140 140 LYS CE C 41.337 0.400 1 1545 140 140 LYS N N 125.787 0.400 1 1546 141 141 ALA H H 9.100 0.020 1 1547 141 141 ALA HA H 5.175 0.020 1 1548 141 141 ALA HB H 1.248 0.020 1 1549 141 141 ALA C C 175.645 0.400 1 1550 141 141 ALA CA C 49.588 0.400 1 1551 141 141 ALA CB C 24.476 0.400 1 1552 141 141 ALA N N 125.782 0.400 1 1553 142 142 GLU H H 8.743 0.020 1 1554 142 142 GLU HA H 4.503 0.020 1 1555 142 142 GLU HB2 H 1.880 0.020 2 1556 142 142 GLU HB3 H 2.074 0.020 2 1557 142 142 GLU HG2 H 2.023 0.020 2 1558 142 142 GLU HG3 H 2.100 0.020 2 1559 142 142 GLU CA C 53.654 0.400 1 1560 142 142 GLU CB C 32.560 0.400 1 1561 142 142 GLU CG C 37.011 0.400 1 1562 142 142 GLU N N 118.084 0.400 1 1563 143 143 PRO HA H 4.361 0.020 1 1564 143 143 PRO HB2 H 2.308 0.020 2 1565 143 143 PRO HB3 H 1.757 0.020 2 1566 143 143 PRO HG2 H 2.000 0.020 2 1567 143 143 PRO HG3 H 1.505 0.020 2 1568 143 143 PRO HD2 H 2.978 0.020 2 1569 143 143 PRO HD3 H 3.657 0.020 2 1570 143 143 PRO C C 176.132 0.400 1 1571 143 143 PRO CA C 63.353 0.400 1 1572 143 143 PRO CB C 32.503 0.400 1 1573 143 143 PRO CG C 27.354 0.400 1 1574 143 143 PRO CD C 50.582 0.400 1 1575 144 144 SER H H 8.381 0.020 1 1576 144 144 SER HA H 4.298 0.020 1 1577 144 144 SER HB2 H 3.373 0.020 2 1578 144 144 SER HB3 H 3.968 0.020 2 1579 144 144 SER C C 172.918 0.400 1 1580 144 144 SER CA C 57.843 0.400 1 1581 144 144 SER CB C 64.635 0.400 1 1582 144 144 SER N N 114.853 0.400 1 1583 145 145 ASP H H 8.271 0.020 1 1584 145 145 ASP HA H 4.510 0.020 1 1585 145 145 ASP HB2 H 2.661 0.020 2 1586 145 145 ASP HB3 H 2.661 0.020 2 1587 145 145 ASP C C 175.645 0.400 1 1588 145 145 ASP CA C 54.798 0.400 1 1589 145 145 ASP CB C 40.724 0.400 1 1590 145 145 ASP N N 121.724 0.400 1 1591 146 146 THR H H 7.719 0.020 1 1592 146 146 THR HA H 4.523 0.020 1 1593 146 146 THR HB H 3.897 0.020 1 1594 146 146 THR HG2 H 1.055 0.020 1 1595 146 146 THR C C 173.992 0.400 1 1596 146 146 THR CA C 59.032 0.400 1 1597 146 146 THR CB C 71.462 0.400 1 1598 146 146 THR CG2 C 21.677 0.400 1 1599 146 146 THR N N 110.793 0.400 1 1600 147 147 LEU H H 9.562 0.020 1 1601 147 147 LEU HA H 5.114 0.020 1 1602 147 147 LEU HB2 H 2.052 0.020 2 1603 147 147 LEU HB3 H 2.116 0.020 2 1604 147 147 LEU HG H 1.540 0.020 1 1605 147 147 LEU HD1 H 1.070 0.020 2 1606 147 147 LEU HD2 H 0.752 0.020 2 1607 147 147 LEU C C 174.477 0.400 1 1608 147 147 LEU CA C 56.162 0.400 1 1609 147 147 LEU CB C 41.260 0.400 1 1610 147 147 LEU CG C 27.875 0.400 1 1611 147 147 LEU CD1 C 22.285 0.400 1 1612 147 147 LEU CD2 C 25.099 0.400 1 1613 147 147 LEU N N 126.188 0.400 1 1614 148 148 GLU H H 8.579 0.020 1 1615 148 148 GLU HA H 5.418 0.020 1 1616 148 148 GLU HB2 H 1.882 0.020 2 1617 148 148 GLU HB3 H 1.882 0.020 2 1618 148 148 GLU HG2 H 2.053 0.020 2 1619 148 148 GLU HG3 H 2.288 0.020 2 1620 148 148 GLU C C 175.840 0.400 1 1621 148 148 GLU CA C 54.668 0.400 1 1622 148 148 GLU CG C 36.821 0.400 1 1623 148 148 GLU N N 128.729 0.400 1 1624 149 149 VAL H H 9.493 0.020 1 1625 149 149 VAL HA H 5.138 0.020 1 1626 149 149 VAL HB H 2.145 0.020 1 1627 149 149 VAL HG1 H 1.060 0.020 2 1628 149 149 VAL HG2 H 0.991 0.020 2 1629 149 149 VAL C C 173.892 0.400 1 1630 149 149 VAL CA C 61.508 0.400 1 1631 149 149 VAL CB C 36.253 0.400 1 1632 149 149 VAL CG1 C 23.893 0.400 1 1633 149 149 VAL CG2 C 20.769 0.400 1 1634 149 149 VAL N N 125.111 0.400 1 1635 150 150 THR H H 9.197 0.020 1 1636 150 150 THR HA H 5.844 0.020 1 1637 150 150 THR HB H 4.179 0.020 1 1638 150 150 THR HG2 H 1.210 0.020 1 1639 150 150 THR C C 172.820 0.400 1 1640 150 150 THR CA C 61.193 0.400 1 1641 150 150 THR CB C 70.782 0.400 1 1642 150 150 THR CG2 C 21.378 0.400 1 1643 150 150 THR N N 126.035 0.400 1 1644 151 151 TYR H H 8.576 0.020 1 1645 151 151 TYR HA H 5.345 0.020 1 1646 151 151 TYR HB2 H 2.530 0.020 2 1647 151 151 TYR HB3 H 3.176 0.020 2 1648 151 151 TYR HD1 H 6.829 0.020 1 1649 151 151 TYR HD2 H 6.829 0.020 1 1650 151 151 TYR HE1 H 7.203 0.020 1 1651 151 151 TYR HE2 H 7.203 0.020 1 1652 151 151 TYR C C 172.620 0.400 1 1653 151 151 TYR CA C 56.460 0.400 1 1654 151 151 TYR CB C 44.387 0.400 1 1655 151 151 TYR N N 126.164 0.400 1 1656 152 152 GLU H H 8.704 0.020 1 1657 152 152 GLU HA H 5.365 0.020 1 1658 152 152 GLU HB2 H 1.922 0.020 2 1659 152 152 GLU HB3 H 2.260 0.020 2 1660 152 152 GLU HG2 H 2.255 0.020 2 1661 152 152 GLU HG3 H 2.464 0.020 2 1662 152 152 GLU C C 172.918 0.400 1 1663 152 152 GLU CA C 54.271 0.400 1 1664 152 152 GLU CB C 33.803 0.400 1 1665 152 152 GLU CG C 36.208 0.400 1 1666 152 152 GLU N N 131.123 0.400 1 1667 153 153 GLY H H 8.923 0.020 1 1668 153 153 GLY HA2 H 3.276 0.020 2 1669 153 153 GLY HA3 H 4.229 0.020 2 1670 153 153 GLY C C 170.777 0.400 1 1671 153 153 GLY CA C 43.407 0.400 1 1672 153 153 GLY N N 109.937 0.400 1 1673 154 154 GLU H H 7.389 0.020 1 1674 154 154 GLU HA H 4.537 0.020 1 1675 154 154 GLU HB2 H 1.843 0.020 2 1676 154 154 GLU HB3 H 1.689 0.020 2 1677 154 154 GLU HG2 H 2.001 0.020 2 1678 154 154 GLU HG3 H 2.001 0.020 2 1679 154 154 GLU C C 173.985 0.400 1 1680 154 154 GLU CA C 55.250 0.400 1 1681 154 154 GLU CB C 32.249 0.400 1 1682 154 154 GLU CG C 36.528 0.400 1 1683 154 154 GLU N N 119.306 0.400 1 1684 155 155 PHE H H 8.256 0.020 1 1685 155 155 PHE HA H 4.842 0.020 1 1686 155 155 PHE HB2 H 3.198 0.020 2 1687 155 155 PHE HB3 H 3.070 0.020 2 1688 155 155 PHE HD1 H 7.464 0.020 1 1689 155 155 PHE HD2 H 7.464 0.020 1 1690 155 155 PHE HE1 H 7.346 0.020 1 1691 155 155 PHE HE2 H 7.346 0.020 1 1692 155 155 PHE HZ H 6.902 0.020 1 1693 155 155 PHE C C 176.717 0.400 1 1694 155 155 PHE CA C 56.442 0.400 1 1695 155 155 PHE CB C 40.724 0.400 1 1696 155 155 PHE N N 125.649 0.400 1 1697 156 156 LYS H H 8.228 0.020 1 1698 156 156 LYS HA H 4.298 0.020 1 1699 156 156 LYS C C 175.354 0.400 1 1700 156 156 LYS N N 122.537 0.400 1 1701 157 157 ASN H H 7.958 0.020 1 1702 157 157 ASN HA H 4.983 0.020 1 1703 157 157 ASN HB2 H 3.219 0.020 2 1704 157 157 ASN HB3 H 3.219 0.020 2 1705 157 157 ASN HD21 H 6.321 0.020 2 1706 157 157 ASN HD22 H 7.502 0.020 2 1707 157 157 ASN C C 176.621 0.400 1 1708 157 157 ASN CA C 51.245 0.400 1 1709 157 157 ASN CB C 39.371 0.400 1 1710 157 157 ASN N N 117.679 0.400 1 1711 157 157 ASN ND2 N 109.583 0.400 1 1712 158 158 PHE H H 7.590 0.020 1 1713 158 158 PHE HA H 4.521 0.020 1 1714 158 158 PHE HB2 H 3.358 0.020 2 1715 158 158 PHE HB3 H 3.358 0.020 2 1716 158 158 PHE HD1 H 7.232 0.020 1 1717 158 158 PHE HD2 H 7.232 0.020 1 1718 158 158 PHE HE1 H 7.251 0.020 1 1719 158 158 PHE HE2 H 7.251 0.020 1 1720 158 158 PHE HZ H 7.038 0.020 1 1721 158 158 PHE C C 175.256 0.400 1 1722 158 158 PHE CA C 59.248 0.400 1 1723 158 158 PHE CB C 38.177 0.400 1 1724 158 158 PHE N N 114.732 0.400 1 1725 159 159 LEU H H 6.657 0.020 1 1726 159 159 LEU HA H 3.850 0.020 1 1727 159 159 LEU HB2 H 1.727 0.020 2 1728 159 159 LEU HB3 H 1.201 0.020 2 1729 159 159 LEU HG H 0.483 0.020 1 1730 159 159 LEU HD1 H 0.306 0.020 2 1731 159 159 LEU HD2 H 0.642 0.020 2 1732 159 159 LEU C C 178.275 0.400 1 1733 159 159 LEU CA C 56.436 0.400 1 1734 159 159 LEU CB C 41.907 0.400 1 1735 159 159 LEU CG C 26.262 0.400 1 1736 159 159 LEU CD1 C 26.311 0.400 1 1737 159 159 LEU CD2 C 22.852 0.400 1 1738 159 159 LEU N N 121.062 0.400 1 1739 160 160 GLY H H 7.312 0.020 1 1740 160 160 GLY HA2 H 3.801 0.020 2 1741 160 160 GLY HA3 H 4.049 0.020 2 1742 160 160 GLY C C 173.408 0.400 1 1743 160 160 GLY CA C 46.488 0.400 1 1744 160 160 GLY N N 103.492 0.400 1 1745 161 161 ARG H H 8.294 0.020 1 1746 161 161 ARG HA H 5.155 0.020 1 1747 161 161 ARG HB2 H 1.864 0.020 2 1748 161 161 ARG HB3 H 2.015 0.020 2 1749 161 161 ARG HG2 H 1.667 0.020 2 1750 161 161 ARG HG3 H 1.786 0.020 2 1751 161 161 ARG HD2 H 3.354 0.020 2 1752 161 161 ARG HD3 H 3.354 0.020 2 1753 161 161 ARG C C 176.523 0.400 1 1754 161 161 ARG CA C 55.282 0.400 1 1755 161 161 ARG CB C 30.893 0.400 1 1756 161 161 ARG CG C 27.373 0.400 1 1757 161 161 ARG CD C 43.332 0.400 1 1758 161 161 ARG N N 125.476 0.400 1 1759 162 162 GLN H H 8.462 0.020 1 1760 162 162 GLN HA H 5.056 0.020 1 1761 162 162 GLN HB2 H 2.273 0.020 2 1762 162 162 GLN HB3 H 2.273 0.020 2 1763 162 162 GLN HG2 H 2.345 0.020 2 1764 162 162 GLN HG3 H 2.502 0.020 2 1765 162 162 GLN C C 173.988 0.400 1 1766 162 162 GLN CA C 54.733 0.400 1 1767 162 162 GLN CB C 35.356 0.400 1 1768 162 162 GLN CG C 34.127 0.400 1 1769 162 162 GLN N N 122.946 0.400 1 1770 163 163 LYS H H 8.708 0.020 1 1771 163 163 LYS HA H 5.826 0.020 1 1772 163 163 LYS HB2 H 1.858 0.020 2 1773 163 163 LYS HB3 H 1.766 0.020 2 1774 163 163 LYS HG2 H 1.347 0.020 2 1775 163 163 LYS HG3 H 1.434 0.020 2 1776 163 163 LYS HD2 H 1.647 0.020 2 1777 163 163 LYS HD3 H 1.647 0.020 2 1778 163 163 LYS HE2 H 2.929 0.020 2 1779 163 163 LYS HE3 H 2.929 0.020 2 1780 163 163 LYS C C 174.769 0.400 1 1781 163 163 LYS CA C 54.984 0.400 1 1782 163 163 LYS CB C 37.011 0.400 1 1783 163 163 LYS CG C 23.954 0.400 1 1784 163 163 LYS CD C 29.653 0.400 1 1785 163 163 LYS CE C 41.622 0.400 1 1786 163 163 LYS N N 119.853 0.400 1 1787 164 164 PHE H H 8.525 0.020 1 1788 164 164 PHE HA H 4.745 0.020 1 1789 164 164 PHE HB2 H 2.549 0.020 2 1790 164 164 PHE HB3 H 3.177 0.020 2 1791 164 164 PHE HD1 H 7.171 0.020 1 1792 164 164 PHE HD2 H 7.171 0.020 1 1793 164 164 PHE HE1 H 7.242 0.020 1 1794 164 164 PHE HE2 H 7.242 0.020 1 1795 164 164 PHE HZ H 7.308 0.020 1 1796 164 164 PHE C C 172.525 0.400 1 1797 164 164 PHE CA C 58.683 0.400 1 1798 164 164 PHE CB C 43.689 0.400 1 1799 164 164 PHE N N 122.377 0.400 1 1800 165 165 THR H H 7.223 0.020 1 1801 165 165 THR HA H 4.936 0.020 1 1802 165 165 THR HB H 3.431 0.020 1 1803 165 165 THR HG1 H 5.797 0.020 1 1804 165 165 THR HG2 H 0.932 0.020 1 1805 165 165 THR C C 172.332 0.400 1 1806 165 165 THR CA C 61.793 0.400 1 1807 165 165 THR CB C 70.689 0.400 1 1808 165 165 THR CG2 C 21.383 0.400 1 1809 165 165 THR N N 123.869 0.400 1 1810 166 166 PHE H H 9.561 0.020 1 1811 166 166 PHE HA H 4.703 0.020 1 1812 166 166 PHE HB2 H 3.016 0.020 2 1813 166 166 PHE HB3 H 3.164 0.020 2 1814 166 166 PHE HD1 H 6.916 0.020 1 1815 166 166 PHE HD2 H 6.916 0.020 1 1816 166 166 PHE HE1 H 6.919 0.020 1 1817 166 166 PHE HE2 H 6.919 0.020 1 1818 166 166 PHE HZ H 7.592 0.020 1 1819 166 166 PHE C C 172.724 0.400 1 1820 166 166 PHE CA C 56.484 0.400 1 1821 166 166 PHE CB C 43.097 0.400 1 1822 166 166 PHE N N 128.182 0.400 1 1823 167 167 VAL H H 6.724 0.020 1 1824 167 167 VAL HA H 4.206 0.020 1 1825 167 167 VAL HB H 1.620 0.020 1 1826 167 167 VAL HG1 H 0.821 0.020 2 1827 167 167 VAL HG2 H 0.686 0.020 2 1828 167 167 VAL C C 173.414 0.400 1 1829 167 167 VAL CA C 59.594 0.400 1 1830 167 167 VAL CB C 34.498 0.400 1 1831 167 167 VAL CG1 C 20.785 0.400 1 1832 167 167 VAL CG2 C 20.494 0.400 1 1833 167 167 VAL N N 125.228 0.400 1 1834 168 168 GLU H H 7.381 0.020 1 1835 168 168 GLU HA H 3.907 0.020 1 1836 168 168 GLU HB2 H 2.117 0.020 2 1837 168 168 GLU HB3 H 2.268 0.020 2 1838 168 168 GLU HG2 H 2.338 0.020 2 1839 168 168 GLU HG3 H 2.459 0.020 2 1840 168 168 GLU C C 175.257 0.400 1 1841 168 168 GLU CA C 58.102 0.400 1 1842 168 168 GLU CB C 30.508 0.400 1 1843 168 168 GLU CG C 35.923 0.400 1 1844 168 168 GLU N N 122.137 0.400 1 1845 169 169 GLY H H 9.571 0.020 1 1846 169 169 GLY HA2 H 4.005 0.020 2 1847 169 169 GLY HA3 H 4.506 0.020 2 1848 169 169 GLY C C 175.840 0.400 1 1849 169 169 GLY CA C 44.788 0.400 1 1850 169 169 GLY N N 113.781 0.400 1 1851 170 170 ASN H H 7.712 0.020 1 1852 170 170 ASN HA H 5.480 0.020 1 1853 170 170 ASN HB2 H 2.793 0.020 2 1854 170 170 ASN HB3 H 3.164 0.020 2 1855 170 170 ASN HD21 H 6.779 0.020 2 1856 170 170 ASN HD22 H 7.151 0.020 2 1857 170 170 ASN C C 177.205 0.400 1 1858 170 170 ASN CA C 52.159 0.400 1 1859 170 170 ASN CB C 38.202 0.400 1 1860 170 170 ASN N N 119.173 0.400 1 1861 170 170 ASN ND2 N 112.956 0.400 1 1862 171 171 GLU H H 9.734 0.020 1 1863 171 171 GLU HA H 4.108 0.020 1 1864 171 171 GLU HB2 H 2.092 0.020 2 1865 171 171 GLU HB3 H 2.296 0.020 2 1866 171 171 GLU HG2 H 2.566 0.020 2 1867 171 171 GLU HG3 H 2.665 0.020 2 1868 171 171 GLU C C 178.179 0.400 1 1869 171 171 GLU CA C 62.109 0.400 1 1870 171 171 GLU CB C 28.210 0.400 1 1871 171 171 GLU CG C 37.839 0.400 1 1872 171 171 GLU N N 120.919 0.400 1 1873 172 172 GLU H H 9.488 0.020 1 1874 172 172 GLU HA H 3.917 0.020 1 1875 172 172 GLU HB2 H 2.151 0.020 2 1876 172 172 GLU HB3 H 2.229 0.020 2 1877 172 172 GLU HG2 H 2.354 0.020 2 1878 172 172 GLU HG3 H 2.513 0.020 2 1879 172 172 GLU C C 176.915 0.400 1 1880 172 172 GLU CA C 59.870 0.400 1 1881 172 172 GLU CB C 28.513 0.400 1 1882 172 172 GLU CG C 37.594 0.400 1 1883 172 172 GLU N N 120.248 0.400 1 1884 173 173 GLU H H 7.975 0.020 1 1885 173 173 GLU HA H 4.199 0.020 1 1886 173 173 GLU HB2 H 2.320 0.020 2 1887 173 173 GLU HB3 H 2.432 0.020 2 1888 173 173 GLU HG2 H 2.402 0.020 2 1889 173 173 GLU HG3 H 2.684 0.020 2 1890 173 173 GLU C C 176.913 0.400 1 1891 173 173 GLU CA C 57.048 0.400 1 1892 173 173 GLU CB C 30.074 0.400 1 1893 173 173 GLU CG C 36.208 0.400 1 1894 173 173 GLU N N 115.106 0.400 1 1895 174 174 ILE H H 7.458 0.020 1 1896 174 174 ILE HA H 4.475 0.020 1 1897 174 174 ILE HB H 1.942 0.020 1 1898 174 174 ILE HG12 H 1.116 0.020 2 1899 174 174 ILE HG13 H 1.291 0.020 2 1900 174 174 ILE HG2 H 0.882 0.020 1 1901 174 174 ILE HD1 H 0.375 0.020 1 1902 174 174 ILE C C 176.912 0.400 1 1903 174 174 ILE CA C 61.559 0.400 1 1904 174 174 ILE CB C 41.001 0.400 1 1905 174 174 ILE CG1 C 25.664 0.400 1 1906 174 174 ILE CG2 C 19.460 0.400 1 1907 174 174 ILE CD1 C 15.478 0.400 1 1908 174 174 ILE N N 104.895 0.400 1 1909 175 175 VAL H H 7.418 0.020 1 1910 175 175 VAL HA H 3.428 0.020 1 1911 175 175 VAL HB H 1.884 0.020 1 1912 175 175 VAL HG1 H 0.673 0.020 2 1913 175 175 VAL HG2 H 0.677 0.020 2 1914 175 175 VAL C C 173.793 0.400 1 1915 175 175 VAL CA C 64.613 0.400 1 1916 175 175 VAL CB C 31.936 0.400 1 1917 175 175 VAL CG1 C 21.084 0.400 1 1918 175 175 VAL CG2 C 19.785 0.400 1 1919 175 175 VAL N N 115.372 0.400 1 1920 176 176 LEU H H 7.336 0.020 1 1921 176 176 LEU HA H 4.538 0.020 1 1922 176 176 LEU HB2 H 1.529 0.020 2 1923 176 176 LEU HB3 H 1.749 0.020 2 1924 176 176 LEU HG H 1.254 0.020 1 1925 176 176 LEU HD1 H 0.478 0.020 2 1926 176 176 LEU HD2 H 0.172 0.020 2 1927 176 176 LEU C C 176.816 0.400 1 1928 176 176 LEU CA C 54.964 0.400 1 1929 176 176 LEU CB C 42.477 0.400 1 1930 176 176 LEU CG C 28.809 0.400 1 1931 176 176 LEU CD1 C 24.805 0.400 1 1932 176 176 LEU CD2 C 24.452 0.400 1 1933 176 176 LEU N N 115.262 0.400 1 1934 177 177 ALA H H 7.168 0.020 1 1935 177 177 ALA HA H 4.438 0.020 1 1936 177 177 ALA HB H 1.317 0.020 1 1937 177 177 ALA C C 177.690 0.400 1 1938 177 177 ALA CA C 51.848 0.400 1 1939 177 177 ALA CB C 19.798 0.400 1 1940 177 177 ALA N N 121.575 0.400 1 1941 178 178 ARG H H 10.616 0.020 1 1942 178 178 ARG HA H 3.800 0.020 1 1943 178 178 ARG HB2 H 1.902 0.020 2 1944 178 178 ARG HB3 H 1.902 0.020 2 1945 178 178 ARG HG2 H 1.670 0.020 2 1946 178 178 ARG HG3 H 1.734 0.020 2 1947 178 178 ARG HD2 H 3.248 0.020 2 1948 178 178 ARG HD3 H 3.248 0.020 2 1949 178 178 ARG C C 174.671 0.400 1 1950 178 178 ARG CA C 56.485 0.400 1 1951 178 178 ARG CB C 30.223 0.400 1 1952 178 178 ARG CG C 26.519 0.400 1 1953 178 178 ARG CD C 43.037 0.400 1 1954 178 178 ARG N N 132.906 0.400 1 1955 179 179 THR H H 7.186 0.020 1 1956 179 179 THR HA H 3.119 0.020 1 1957 179 179 THR HB H 4.017 0.020 1 1958 179 179 THR HG2 H 1.459 0.020 1 1959 179 179 THR C C 170.485 0.400 1 1960 179 179 THR CA C 63.603 0.400 1 1961 179 179 THR CB C 69.542 0.400 1 1962 179 179 THR CG2 C 20.156 0.400 1 1963 179 179 THR N N 111.991 0.400 1 1964 180 180 PHE H H 6.196 0.020 1 1965 180 180 PHE HA H 5.831 0.020 1 1966 180 180 PHE HB2 H 2.497 0.020 2 1967 180 180 PHE HB3 H 2.638 0.020 2 1968 180 180 PHE HD1 H 7.347 0.020 1 1969 180 180 PHE HD2 H 7.347 0.020 1 1970 180 180 PHE HE1 H 6.819 0.020 1 1971 180 180 PHE HE2 H 6.819 0.020 1 1972 180 180 PHE HZ H 6.751 0.020 1 1973 180 180 PHE C C 171.264 0.400 1 1974 180 180 PHE CA C 54.037 0.400 1 1975 180 180 PHE CB C 43.132 0.400 1 1976 180 180 PHE N N 115.923 0.400 1 1977 181 181 ALA H H 8.040 0.020 1 1978 181 181 ALA HA H 3.762 0.020 1 1979 181 181 ALA HB H 0.371 0.020 1 1980 181 181 ALA C C 174.673 0.400 1 1981 181 181 ALA CA C 49.647 0.400 1 1982 181 181 ALA CB C 21.376 0.400 1 1983 181 181 ALA N N 117.806 0.400 1 1984 182 182 PHE H H 8.500 0.020 1 1985 182 182 PHE HA H 4.984 0.020 1 1986 182 182 PHE HB2 H 1.062 0.020 2 1987 182 182 PHE HB3 H 1.413 0.020 2 1988 182 182 PHE HD1 H 6.998 0.020 1 1989 182 182 PHE HD2 H 6.998 0.020 1 1990 182 182 PHE HE1 H 7.249 0.020 1 1991 182 182 PHE HE2 H 7.249 0.020 1 1992 182 182 PHE HZ H 6.894 0.020 1 1993 182 182 PHE C C 177.986 0.400 1 1994 182 182 PHE CA C 55.615 0.400 1 1995 182 182 PHE CB C 38.177 0.400 1 1996 182 182 PHE N N 118.779 0.400 1 1997 183 183 ASP H H 9.186 0.020 1 1998 183 183 ASP HA H 3.647 0.020 1 1999 183 183 ASP HB2 H 2.911 0.020 2 2000 183 183 ASP HB3 H 2.377 0.020 2 2001 183 183 ASP C C 178.864 0.400 1 2002 183 183 ASP CA C 57.160 0.400 1 2003 183 183 ASP CB C 37.576 0.400 1 2004 183 183 ASP N N 124.163 0.400 1 2005 184 184 TRP H H 8.231 0.020 1 2006 184 184 TRP HA H 4.730 0.020 1 2007 184 184 TRP HB2 H 3.423 0.020 2 2008 184 184 TRP HB3 H 3.620 0.020 2 2009 184 184 TRP HD1 H 7.291 0.020 1 2010 184 184 TRP HE1 H 10.349 0.020 1 2011 184 184 TRP HE3 H 6.931 0.020 1 2012 184 184 TRP HZ2 H 6.968 0.020 1 2013 184 184 TRP HZ3 H 6.983 0.020 1 2014 184 184 TRP HH2 H 6.586 0.020 1 2015 184 184 TRP C C 176.522 0.400 1 2016 184 184 TRP CA C 59.327 0.400 1 2017 184 184 TRP CB C 27.325 0.400 1 2018 184 184 TRP N N 119.851 0.400 1 2019 184 184 TRP NE1 N 131.712 0.400 1 2020 185 185 GLU H H 7.382 0.020 1 2021 185 185 GLU HA H 4.576 0.020 1 2022 185 185 GLU HB2 H 1.998 0.020 2 2023 185 185 GLU HB3 H 2.077 0.020 2 2024 185 185 GLU HG2 H 1.777 0.020 2 2025 185 185 GLU HG3 H 2.237 0.020 2 2026 185 185 GLU C C 177.787 0.400 1 2027 185 185 GLU CA C 56.754 0.400 1 2028 185 185 GLU CB C 31.291 0.400 1 2029 185 185 GLU CG C 37.040 0.400 1 2030 185 185 GLU N N 121.044 0.400 1 2031 186 186 ILE H H 7.177 0.020 1 2032 186 186 ILE HA H 3.454 0.020 1 2033 186 186 ILE HB H 1.672 0.020 1 2034 186 186 ILE HG12 H 0.661 0.020 2 2035 186 186 ILE HG13 H 1.449 0.020 2 2036 186 186 ILE HG2 H 0.719 0.020 1 2037 186 186 ILE HD1 H -0.083 0.020 1 2038 186 186 ILE C C 177.205 0.400 1 2039 186 186 ILE CA C 65.822 0.400 1 2040 186 186 ILE CB C 37.618 0.400 1 2041 186 186 ILE CG1 C 29.118 0.400 1 2042 186 186 ILE CG2 C 17.966 0.400 1 2043 186 186 ILE CD1 C 12.339 0.400 1 2044 186 186 ILE N N 119.846 0.400 1 2045 187 187 GLU H H 8.497 0.020 1 2046 187 187 GLU HA H 4.017 0.020 1 2047 187 187 GLU HB2 H 1.995 0.020 2 2048 187 187 GLU HB3 H 2.059 0.020 2 2049 187 187 GLU HG2 H 2.207 0.020 2 2050 187 187 GLU HG3 H 2.281 0.020 2 2051 187 187 GLU C C 178.667 0.400 1 2052 187 187 GLU CA C 59.589 0.400 1 2053 187 187 GLU CB C 29.083 0.400 1 2054 187 187 GLU CG C 35.923 0.400 1 2055 187 187 GLU N N 118.227 0.400 1 2056 188 188 HIS H H 7.649 0.020 1 2057 188 188 HIS HA H 4.386 0.020 1 2058 188 188 HIS HB2 H 3.348 0.020 2 2059 188 188 HIS HB3 H 3.348 0.020 2 2060 188 188 HIS HD2 H 7.168 0.020 1 2061 188 188 HIS C C 179.543 0.400 1 2062 188 188 HIS CA C 59.311 0.400 1 2063 188 188 HIS CB C 30.360 0.400 1 2064 188 188 HIS N N 119.025 0.400 1 2065 189 189 ILE H H 8.046 0.020 1 2066 189 189 ILE HA H 3.563 0.020 1 2067 189 189 ILE HB H 1.990 0.020 1 2068 189 189 ILE HG12 H 0.971 0.020 2 2069 189 189 ILE HG13 H 1.808 0.020 2 2070 189 189 ILE HG2 H 0.760 0.020 1 2071 189 189 ILE HD1 H 0.728 0.020 1 2072 189 189 ILE C C 177.690 0.400 1 2073 189 189 ILE CA C 64.613 0.400 1 2074 189 189 ILE CB C 38.131 0.400 1 2075 189 189 ILE CG1 C 29.090 0.400 1 2076 189 189 ILE CG2 C 17.359 0.400 1 2077 189 189 ILE CD1 C 13.344 0.400 1 2078 189 189 ILE N N 119.612 0.400 1 2079 190 190 LYS H H 8.323 0.020 1 2080 190 190 LYS HA H 4.485 0.020 1 2081 190 190 LYS HB2 H 1.903 0.020 2 2082 190 190 LYS HB3 H 1.903 0.020 2 2083 190 190 LYS HG2 H 1.580 0.020 2 2084 190 190 LYS HG3 H 1.762 0.020 2 2085 190 190 LYS HD2 H 1.734 0.020 2 2086 190 190 LYS HD3 H 1.734 0.020 2 2087 190 190 LYS HE2 H 2.969 0.020 2 2088 190 190 LYS HE3 H 3.052 0.020 2 2089 190 190 LYS C C 181.491 0.400 1 2090 190 190 LYS CA C 58.691 0.400 1 2091 190 190 LYS CB C 31.934 0.400 1 2092 190 190 LYS CG C 25.179 0.400 1 2093 190 190 LYS CD C 29.083 0.400 1 2094 190 190 LYS CE C 41.537 0.400 1 2095 190 190 LYS N N 117.581 0.400 1 2096 191 191 LYS H H 7.991 0.020 1 2097 191 191 LYS HA H 4.102 0.020 1 2098 191 191 LYS HB2 H 2.101 0.020 2 2099 191 191 LYS HB3 H 2.024 0.020 2 2100 191 191 LYS HG2 H 1.543 0.020 2 2101 191 191 LYS HG3 H 1.647 0.020 2 2102 191 191 LYS HD2 H 1.768 0.020 2 2103 191 191 LYS HD3 H 1.768 0.020 2 2104 191 191 LYS HE2 H 3.035 0.020 2 2105 191 191 LYS HE3 H 3.035 0.020 2 2106 191 191 LYS C C 178.763 0.400 1 2107 191 191 LYS CA C 59.271 0.400 1 2108 191 191 LYS CB C 32.226 0.400 1 2109 191 191 LYS CG C 25.094 0.400 1 2110 191 191 LYS CD C 29.083 0.400 1 2111 191 191 LYS CE C 41.907 0.400 1 2112 191 191 LYS N N 121.598 0.400 1 2113 192 192 VAL H H 7.408 0.020 1 2114 192 192 VAL HA H 4.396 0.020 1 2115 192 192 VAL HB H 2.461 0.020 1 2116 192 192 VAL HG1 H 0.892 0.020 2 2117 192 192 VAL HG2 H 0.959 0.020 2 2118 192 192 VAL C C 176.225 0.400 1 2119 192 192 VAL CA C 61.289 0.400 1 2120 192 192 VAL CB C 30.793 0.400 1 2121 192 192 VAL CG1 C 21.104 0.400 1 2122 192 192 VAL CG2 C 18.900 0.400 1 2123 192 192 VAL N N 110.809 0.400 1 2124 193 193 GLY H H 7.696 0.020 1 2125 193 193 GLY HA2 H 3.733 0.020 2 2126 193 193 GLY HA3 H 4.402 0.020 2 2127 193 193 GLY C C 173.503 0.400 1 2128 193 193 GLY CA C 45.316 0.400 1 2129 193 193 GLY N N 108.224 0.400 1 2130 194 194 LEU H H 7.499 0.020 1 2131 194 194 LEU HA H 4.871 0.020 1 2132 194 194 LEU HB2 H 1.537 0.020 2 2133 194 194 LEU HB3 H 1.462 0.020 2 2134 194 194 LEU HG H 1.344 0.020 1 2135 194 194 LEU HD1 H 0.652 0.020 2 2136 194 194 LEU HD2 H 0.545 0.020 2 2137 194 194 LEU C C 176.715 0.400 1 2138 194 194 LEU CA C 52.761 0.400 1 2139 194 194 LEU CB C 43.125 0.400 1 2140 194 194 LEU CG C 26.804 0.400 1 2141 194 194 LEU CD1 C 26.610 0.400 1 2142 194 194 LEU CD2 C 21.983 0.400 1 2143 194 194 LEU N N 119.569 0.400 1 2144 195 195 GLY H H 9.802 0.020 1 2145 195 195 GLY HA2 H 3.491 0.020 2 2146 195 195 GLY HA3 H 3.646 0.020 2 2147 195 195 GLY C C 176.425 0.400 1 2148 195 195 GLY CA C 46.818 0.400 1 2149 195 195 GLY N N 107.021 0.400 1 2150 196 196 LYS H H 7.673 0.020 1 2151 196 196 LYS HA H 3.779 0.020 1 2152 196 196 LYS HB2 H 1.285 0.020 2 2153 196 196 LYS HB3 H 1.609 0.020 2 2154 196 196 LYS HG2 H 1.276 0.020 2 2155 196 196 LYS HG3 H 1.387 0.020 2 2156 196 196 LYS HD2 H 1.610 0.020 2 2157 196 196 LYS HD3 H 1.610 0.020 2 2158 196 196 LYS HE2 H 2.996 0.020 2 2159 196 196 LYS HE3 H 2.996 0.020 2 2160 196 196 LYS C C 178.080 0.400 1 2161 196 196 LYS CA C 59.863 0.400 1 2162 196 196 LYS CB C 31.936 0.400 1 2163 196 196 LYS CG C 25.949 0.400 1 2164 196 196 LYS CD C 29.385 0.400 1 2165 196 196 LYS CE C 41.337 0.400 1 2166 196 196 LYS N N 118.202 0.400 1 2167 197 197 GLY H H 8.661 0.020 1 2168 197 197 GLY HA2 H 3.483 0.020 2 2169 197 197 GLY HA3 H 4.194 0.020 2 2170 197 197 GLY C C 174.476 0.400 1 2171 197 197 GLY CA C 44.097 0.400 1 2172 197 197 GLY N N 105.535 0.400 1 2173 198 198 GLY H H 7.478 0.020 1 2174 198 198 GLY HA2 H 2.666 0.020 2 2175 198 198 GLY HA3 H 3.836 0.020 2 2176 198 198 GLY C C 171.944 0.400 1 2177 198 198 GLY CA C 45.300 0.400 1 2178 198 198 GLY N N 109.444 0.400 1 2179 199 199 SER H H 8.808 0.020 1 2180 199 199 SER HA H 4.093 0.020 1 2181 199 199 SER HB2 H 3.575 0.020 2 2182 199 199 SER HB3 H 3.575 0.020 2 2183 199 199 SER CA C 56.496 0.400 1 2184 199 199 SER CB C 65.844 0.400 1 2185 199 199 SER N N 119.840 0.400 1 2186 200 200 LEU H H 8.194 0.020 1 2187 200 200 LEU HA H 4.770 0.020 1 2188 200 200 LEU HB2 H 1.856 0.020 2 2189 200 200 LEU HB3 H 1.902 0.020 2 2190 200 200 LEU HG H 2.001 0.020 1 2191 200 200 LEU HD1 H 1.098 0.020 2 2192 200 200 LEU HD2 H 0.947 0.020 2 2193 200 200 LEU C C 177.692 0.400 1 2194 200 200 LEU CA C 56.463 0.400 1 2195 200 200 LEU CB C 40.424 0.400 1 2196 200 200 LEU CG C 26.345 0.400 1 2197 200 200 LEU CD1 C 26.001 0.400 1 2198 200 200 LEU CD2 C 23.573 0.400 1 2199 200 200 LEU N N 117.409 0.400 1 2200 201 201 LYS H H 8.121 0.020 1 2201 201 201 LYS HA H 4.240 0.020 1 2202 201 201 LYS HB2 H 1.502 0.020 2 2203 201 201 LYS HB3 H 1.825 0.020 2 2204 201 201 LYS HG2 H 1.434 0.020 2 2205 201 201 LYS HG3 H 1.434 0.020 2 2206 201 201 LYS HD2 H 1.656 0.020 2 2207 201 201 LYS HD3 H 1.656 0.020 2 2208 201 201 LYS HE2 H 3.000 0.020 2 2209 201 201 LYS HE3 H 3.000 0.020 2 2210 201 201 LYS C C 177.398 0.400 1 2211 201 201 LYS CA C 56.694 0.400 1 2212 201 201 LYS CG C 24.809 0.400 1 2213 201 201 LYS CD C 28.513 0.400 1 2214 201 201 LYS CE C 41.907 0.400 1 2215 201 201 LYS N N 115.250 0.400 1 2216 202 202 ASN H H 7.244 0.020 1 2217 202 202 ASN HA H 4.513 0.020 1 2218 202 202 ASN HB2 H 2.582 0.020 2 2219 202 202 ASN HB3 H 2.901 0.020 2 2220 202 202 ASN HD21 H 6.926 0.020 2 2221 202 202 ASN HD22 H 8.784 0.020 2 2222 202 202 ASN C C 170.875 0.400 1 2223 202 202 ASN CA C 51.862 0.400 1 2224 202 202 ASN CB C 40.950 0.400 1 2225 202 202 ASN N N 114.046 0.400 1 2226 202 202 ASN ND2 N 117.544 0.400 1 2227 203 203 THR H H 7.206 0.020 1 2228 203 203 THR HA H 4.473 0.020 1 2229 203 203 THR HB H 3.967 0.020 1 2230 203 203 THR HG2 H 1.032 0.020 1 2231 203 203 THR C C 173.796 0.400 1 2232 203 203 THR CA C 62.122 0.400 1 2233 203 203 THR CB C 72.974 0.400 1 2234 203 203 THR CG2 C 21.985 0.400 1 2235 203 203 THR N N 110.243 0.400 1 2236 204 204 LEU H H 8.724 0.020 1 2237 204 204 LEU HA H 4.437 0.020 1 2238 204 204 LEU HB2 H 1.822 0.020 2 2239 204 204 LEU HB3 H 1.822 0.020 2 2240 204 204 LEU HG H 1.306 0.020 1 2241 204 204 LEU HD1 H 0.822 0.020 2 2242 204 204 LEU HD2 H 0.722 0.020 2 2243 204 204 LEU C C 173.793 0.400 1 2244 204 204 LEU CA C 53.910 0.400 1 2245 204 204 LEU CG C 27.089 0.400 1 2246 204 204 LEU CD1 C 22.862 0.400 1 2247 204 204 LEU CD2 C 25.403 0.400 1 2248 204 204 LEU N N 127.222 0.400 1 2249 205 205 VAL H H 9.249 0.020 1 2250 205 205 VAL HA H 4.664 0.020 1 2251 205 205 VAL HB H 1.618 0.020 1 2252 205 205 VAL HG1 H 0.032 0.020 2 2253 205 205 VAL HG2 H 0.570 0.020 2 2254 205 205 VAL C C 175.061 0.400 1 2255 205 205 VAL CA C 61.368 0.400 1 2256 205 205 VAL CB C 31.935 0.400 1 2257 205 205 VAL CG1 C 20.474 0.400 1 2258 205 205 VAL CG2 C 23.187 0.400 1 2259 205 205 VAL N N 129.809 0.400 1 2260 206 206 LEU H H 8.401 0.020 1 2261 206 206 LEU HA H 5.042 0.020 1 2262 206 206 LEU HB2 H 1.629 0.020 2 2263 206 206 LEU HB3 H 1.426 0.020 2 2264 206 206 LEU HG H 1.486 0.020 1 2265 206 206 LEU HD1 H 0.383 0.020 2 2266 206 206 LEU HD2 H 0.904 0.020 2 2267 206 206 LEU C C 176.035 0.400 1 2268 206 206 LEU CA C 53.380 0.400 1 2269 206 206 LEU CB C 45.300 0.400 1 2270 206 206 LEU CG C 27.058 0.400 1 2271 206 206 LEU CD1 C 26.336 0.400 1 2272 206 206 LEU CD2 C 26.004 0.400 1 2273 206 206 LEU N N 127.132 0.400 1 2274 207 207 GLY H H 9.003 0.020 1 2275 207 207 GLY HA2 H 4.095 0.020 2 2276 207 207 GLY HA3 H 5.546 0.020 2 2277 207 207 GLY CA C 43.132 0.400 1 2278 207 207 GLY N N 108.629 0.400 1 2279 208 208 LYS H H 7.628 0.020 1 2280 208 208 LYS HA H 4.474 0.020 1 2281 208 208 LYS HB2 H 1.949 0.020 2 2282 208 208 LYS HB3 H 2.112 0.020 2 2283 208 208 LYS HG2 H 1.684 0.020 2 2284 208 208 LYS HG3 H 1.684 0.020 2 2285 208 208 LYS HE2 H 4.345 0.020 2 2286 208 208 LYS HE3 H 4.345 0.020 2 2287 208 208 LYS CA C 59.593 0.400 1 2288 208 208 LYS CB C 32.560 0.400 1 2289 208 208 LYS CE C 39.396 0.400 1 2290 208 208 LYS N N 117.814 0.400 1 2291 209 209 ASP H H 8.821 0.020 1 2292 209 209 ASP HA H 4.900 0.020 1 2293 209 209 ASP HB2 H 2.633 0.020 2 2294 209 209 ASP HB3 H 2.717 0.020 2 2295 209 209 ASP C C 174.671 0.400 1 2296 209 209 ASP CA C 53.338 0.400 1 2297 209 209 ASP CB C 42.477 0.400 1 2298 210 210 LYS H H 7.047 0.020 1 2299 210 210 LYS HA H 4.427 0.020 1 2300 210 210 LYS HB2 H 1.604 0.020 2 2301 210 210 LYS HB3 H 1.644 0.020 2 2302 210 210 LYS HG2 H 1.537 0.020 2 2303 210 210 LYS HG3 H 1.737 0.020 2 2304 210 210 LYS HD2 H 1.303 0.020 2 2305 210 210 LYS HD3 H 1.303 0.020 2 2306 210 210 LYS HE2 H 2.973 0.020 2 2307 210 210 LYS HE3 H 3.172 0.020 2 2308 210 210 LYS C C 173.988 0.400 1 2309 210 210 LYS CA C 54.648 0.400 1 2310 210 210 LYS CB C 35.046 0.400 1 2311 210 210 LYS CG C 26.656 0.400 1 2312 210 210 LYS N N 114.426 0.400 1 2313 211 211 VAL H H 8.504 0.020 1 2314 211 211 VAL HA H 4.552 0.020 1 2315 211 211 VAL HB H 2.184 0.020 1 2316 211 211 VAL HG1 H 1.124 0.020 2 2317 211 211 VAL HG2 H 1.147 0.020 2 2318 211 211 VAL C C 175.939 0.400 1 2319 211 211 VAL CA C 61.217 0.400 1 2320 211 211 VAL CB C 33.273 0.400 1 2321 211 211 VAL CG1 C 21.681 0.400 1 2322 211 211 VAL CG2 C 21.684 0.400 1 2323 211 211 VAL N N 120.903 0.400 1 2324 212 212 TYR H H 9.126 0.020 1 2325 212 212 TYR HA H 4.071 0.020 1 2326 212 212 TYR HB2 H 2.818 0.020 2 2327 212 212 TYR HB3 H 3.081 0.020 2 2328 212 212 TYR HD1 H 7.103 0.020 1 2329 212 212 TYR HD2 H 7.103 0.020 1 2330 212 212 TYR HE1 H 6.774 0.020 1 2331 212 212 TYR HE2 H 6.774 0.020 1 2332 212 212 TYR C C 176.621 0.400 1 2333 212 212 TYR CA C 61.049 0.400 1 2334 212 212 TYR CB C 38.769 0.400 1 2335 212 212 TYR N N 125.363 0.400 1 2336 213 213 ASN H H 8.496 0.020 1 2337 213 213 ASN HA H 4.590 0.020 1 2338 213 213 ASN HB2 H 2.135 0.020 2 2339 213 213 ASN HB3 H 3.109 0.020 2 2340 213 213 ASN HD21 H 7.115 0.020 2 2341 213 213 ASN HD22 H 7.533 0.020 2 2342 213 213 ASN CA C 53.054 0.400 1 2343 213 213 ASN CB C 36.235 0.400 1 2344 213 213 ASN N N 117.808 0.400 1 2345 214 214 PRO HA H 4.307 0.020 1 2346 214 214 PRO HB2 H 2.033 0.020 2 2347 214 214 PRO HB3 H 2.431 0.020 2 2348 214 214 PRO HG2 H 2.153 0.020 2 2349 214 214 PRO HG3 H 2.216 0.020 2 2350 214 214 PRO HD2 H 4.083 0.020 2 2351 214 214 PRO HD3 H 4.083 0.020 2 2352 214 214 PRO C C 177.493 0.400 1 2353 214 214 PRO CA C 65.274 0.400 1 2354 214 214 PRO CB C 31.641 0.400 1 2355 214 214 PRO CG C 27.373 0.400 1 2356 214 214 PRO CD C 51.280 0.400 1 2357 215 215 GLU H H 9.800 0.020 1 2358 215 215 GLU HA H 4.270 0.020 1 2359 215 215 GLU HB2 H 2.087 0.020 2 2360 215 215 GLU HB3 H 2.087 0.020 2 2361 215 215 GLU C C 177.009 0.400 1 2362 215 215 GLU CA C 56.603 0.400 1 2363 215 215 GLU N N 116.593 0.400 1 2364 216 216 GLY H H 7.709 0.020 1 2365 216 216 GLY HA2 H 3.505 0.020 2 2366 216 216 GLY HA3 H 4.131 0.020 2 2367 216 216 GLY C C 172.919 0.400 1 2368 216 216 GLY CA C 44.735 0.400 1 2369 216 216 GLY N N 108.371 0.400 1 2370 217 217 LEU H H 8.280 0.020 1 2371 217 217 LEU HA H 4.051 0.020 1 2372 217 217 LEU HB2 H 1.981 0.020 2 2373 217 217 LEU HB3 H 1.504 0.020 2 2374 217 217 LEU HG H 1.789 0.020 1 2375 217 217 LEU HD1 H 1.074 0.020 2 2376 217 217 LEU HD2 H 1.097 0.020 2 2377 217 217 LEU C C 178.471 0.400 1 2378 217 217 LEU CA C 55.274 0.400 1 2379 217 217 LEU CB C 42.788 0.400 1 2380 217 217 LEU CG C 28.222 0.400 1 2381 217 217 LEU CD1 C 25.694 0.400 1 2382 217 217 LEU CD2 C 26.263 0.400 1 2383 217 217 LEU N N 119.442 0.400 1 2384 218 218 ARG H H 9.333 0.020 1 2385 218 218 ARG HA H 3.825 0.020 1 2386 218 218 ARG HB2 H 1.772 0.020 2 2387 218 218 ARG HB3 H 1.772 0.020 2 2388 218 218 ARG C C 175.548 0.400 1 2389 218 218 ARG CA C 58.250 0.400 1 2390 218 218 ARG N N 121.847 0.400 1 2391 219 219 TYR H H 6.993 0.020 1 2392 219 219 TYR HA H 4.707 0.020 1 2393 219 219 TYR HB2 H 1.924 0.020 2 2394 219 219 TYR HB3 H 3.204 0.020 2 2395 219 219 TYR HD1 H 6.737 0.020 1 2396 219 219 TYR HD2 H 6.737 0.020 1 2397 219 219 TYR HE1 H 6.460 0.020 1 2398 219 219 TYR HE2 H 6.460 0.020 1 2399 219 219 TYR CA C 54.702 0.400 1 2400 219 219 TYR CB C 43.086 0.400 1 2401 219 219 TYR N N 109.979 0.400 1 2402 220 220 GLU HA H 4.103 0.020 1 2403 220 220 GLU HB2 H 2.334 0.020 2 2404 220 220 GLU HB3 H 2.334 0.020 2 2405 220 220 GLU C C 175.061 0.400 1 2406 220 220 GLU CA C 59.283 0.400 1 2407 221 221 ASN H H 7.596 0.020 1 2408 221 221 ASN HA H 5.235 0.020 1 2409 221 221 ASN HB2 H 2.872 0.020 2 2410 221 221 ASN HB3 H 3.098 0.020 2 2411 221 221 ASN C C 176.139 0.400 1 2412 221 221 ASN CA C 49.339 0.400 1 2413 221 221 ASN CB C 36.289 0.400 1 2414 221 221 ASN N N 110.662 0.400 1 2415 222 222 GLU H H 7.392 0.020 1 2416 222 222 GLU HA H 3.707 0.020 1 2417 222 222 GLU HB2 H 2.004 0.020 2 2418 222 222 GLU HB3 H 2.559 0.020 2 2419 222 222 GLU HG2 H 2.235 0.020 2 2420 222 222 GLU HG3 H 2.493 0.020 2 2421 222 222 GLU CA C 62.390 0.400 1 2422 222 222 GLU CB C 28.210 0.400 1 2423 222 222 GLU CG C 36.289 0.400 1 2424 222 222 GLU N N 118.084 0.400 1 2425 223 223 PRO HA H 3.748 0.020 1 2426 223 223 PRO HB2 H -0.081 0.020 2 2427 223 223 PRO HB3 H 0.795 0.020 2 2428 223 223 PRO HG2 H 0.811 0.020 2 2429 223 223 PRO HG3 H 1.280 0.020 2 2430 223 223 PRO HD2 H 3.313 0.020 2 2431 223 223 PRO HD3 H 3.364 0.020 2 2432 223 223 PRO C C 178.372 0.400 1 2433 223 223 PRO CA C 67.033 0.400 1 2434 223 223 PRO CB C 29.763 0.400 1 2435 223 223 PRO CG C 28.210 0.400 1 2436 223 223 PRO CD C 49.029 0.400 1 2437 224 224 VAL H H 6.714 0.020 1 2438 224 224 VAL HA H 3.937 0.020 1 2439 224 224 VAL HB H 2.450 0.020 1 2440 224 224 VAL HG1 H 1.396 0.020 2 2441 224 224 VAL HG2 H 1.245 0.020 2 2442 224 224 VAL C C 178.177 0.400 1 2443 224 224 VAL CA C 65.524 0.400 1 2444 224 224 VAL CB C 31.343 0.400 1 2445 224 224 VAL CG1 C 23.901 0.400 1 2446 224 224 VAL CG2 C 22.283 0.400 1 2447 224 224 VAL N N 107.940 0.400 1 2448 225 225 ARG H H 7.255 0.020 1 2449 225 225 ARG HA H 3.662 0.020 1 2450 225 225 ARG HB2 H 1.086 0.020 2 2451 225 225 ARG HB3 H 1.627 0.020 2 2452 225 225 ARG HG2 H -0.198 0.020 2 2453 225 225 ARG HG3 H 0.807 0.020 2 2454 225 225 ARG HD2 H 1.616 0.020 2 2455 225 225 ARG HD3 H 2.177 0.020 2 2456 225 225 ARG C C 178.178 0.400 1 2457 225 225 ARG CA C 59.901 0.400 1 2458 225 225 ARG CB C 30.074 0.400 1 2459 225 225 ARG CG C 26.967 0.400 1 2460 225 225 ARG CD C 43.125 0.400 1 2461 225 225 ARG N N 119.858 0.400 1 2462 226 226 HIS H H 8.179 0.020 1 2463 226 226 HIS HA H 3.827 0.020 1 2464 226 226 HIS HB2 H 2.869 0.020 2 2465 226 226 HIS HB3 H 3.442 0.020 2 2466 226 226 HIS HE1 H 7.423 0.020 1 2467 226 226 HIS C C 176.619 0.400 1 2468 226 226 HIS CA C 60.235 0.400 1 2469 226 226 HIS CB C 28.217 0.400 1 2470 226 226 HIS N N 117.412 0.400 1 2471 227 227 LYS H H 7.865 0.020 1 2472 227 227 LYS HA H 3.847 0.020 1 2473 227 227 LYS HB2 H 1.387 0.020 2 2474 227 227 LYS HB3 H 1.387 0.020 2 2475 227 227 LYS HG2 H 1.135 0.020 2 2476 227 227 LYS HG3 H 1.135 0.020 2 2477 227 227 LYS HD2 H 1.754 0.020 2 2478 227 227 LYS HD3 H 1.955 0.020 2 2479 227 227 LYS HE2 H 2.838 0.020 2 2480 227 227 LYS HE3 H 3.331 0.020 2 2481 227 227 LYS C C 180.416 0.400 1 2482 227 227 LYS CA C 58.032 0.400 1 2483 227 227 LYS CG C 31.317 0.400 1 2484 227 227 LYS CD C 28.210 0.400 1 2485 227 227 LYS CE C 44.368 0.400 1 2486 227 227 LYS N N 117.678 0.400 1 2487 228 228 VAL H H 7.684 0.020 1 2488 228 228 VAL HA H 3.458 0.020 1 2489 228 228 VAL HB H 2.501 0.020 1 2490 228 228 VAL HG1 H 1.029 0.020 2 2491 228 228 VAL HG2 H 1.480 0.020 2 2492 228 228 VAL C C 175.940 0.400 1 2493 228 228 VAL CA C 67.699 0.400 1 2494 228 228 VAL CB C 31.337 0.400 1 2495 228 228 VAL CG1 C 22.888 0.400 1 2496 228 228 VAL CG2 C 26.037 0.400 1 2497 228 228 VAL N N 121.444 0.400 1 2498 229 229 PHE H H 7.622 0.020 1 2499 229 229 PHE HA H 3.722 0.020 1 2500 229 229 PHE HB2 H 2.822 0.020 2 2501 229 229 PHE HB3 H 3.305 0.020 2 2502 229 229 PHE HD1 H 6.724 0.020 1 2503 229 229 PHE HD2 H 6.724 0.020 1 2504 229 229 PHE HE1 H 7.039 0.020 1 2505 229 229 PHE HE2 H 7.039 0.020 1 2506 229 229 PHE HZ H 7.452 0.020 1 2507 229 229 PHE C C 177.590 0.400 1 2508 229 229 PHE CA C 62.059 0.400 1 2509 229 229 PHE CB C 38.773 0.400 1 2510 229 229 PHE N N 120.904 0.400 1 2511 230 230 ASP H H 8.863 0.020 1 2512 230 230 ASP HA H 4.069 0.020 1 2513 230 230 ASP HB2 H 2.246 0.020 2 2514 230 230 ASP HB3 H 2.756 0.020 2 2515 230 230 ASP C C 176.911 0.400 1 2516 230 230 ASP CA C 57.464 0.400 1 2517 230 230 ASP CB C 41.260 0.400 1 2518 230 230 ASP N N 120.507 0.400 1 2519 231 231 LEU H H 7.311 0.020 1 2520 231 231 LEU HA H 4.083 0.020 1 2521 231 231 LEU HB2 H 1.693 0.020 2 2522 231 231 LEU HB3 H 1.947 0.020 2 2523 231 231 LEU HG H 1.377 0.020 1 2524 231 231 LEU HD1 H 0.863 0.020 2 2525 231 231 LEU HD2 H 0.822 0.020 2 2526 231 231 LEU C C 177.592 0.400 1 2527 231 231 LEU CA C 58.339 0.400 1 2528 231 231 LEU CB C 40.639 0.400 1 2529 231 231 LEU CG C 27.658 0.400 1 2530 231 231 LEU CD1 C 22.620 0.400 1 2531 231 231 LEU CD2 C 26.008 0.400 1 2532 231 231 LEU N N 120.777 0.400 1 2533 232 232 ILE H H 7.836 0.020 1 2534 232 232 ILE HA H 3.334 0.020 1 2535 232 232 ILE HB H 1.527 0.020 1 2536 232 232 ILE HG12 H 0.528 0.020 2 2537 232 232 ILE HG13 H 1.651 0.020 2 2538 232 232 ILE HG2 H 0.555 0.020 1 2539 232 232 ILE HD1 H 0.177 0.020 1 2540 232 232 ILE C C 178.371 0.400 1 2541 232 232 ILE CA C 66.131 0.400 1 2542 232 232 ILE CB C 38.202 0.400 1 2543 232 232 ILE CG1 C 31.636 0.400 1 2544 232 232 ILE CG2 C 17.060 0.400 1 2545 232 232 ILE CD1 C 15.142 0.400 1 2546 232 232 ILE N N 119.024 0.400 1 2547 233 233 GLY H H 7.430 0.020 1 2548 233 233 GLY HA2 H 3.470 0.020 2 2549 233 233 GLY HA3 H 4.256 0.020 2 2550 233 233 GLY C C 175.057 0.400 1 2551 233 233 GLY CA C 47.715 0.400 1 2552 233 233 GLY N N 109.452 0.400 1 2553 234 234 ASP H H 8.185 0.020 1 2554 234 234 ASP HA H 4.463 0.020 1 2555 234 234 ASP HB2 H 2.534 0.020 2 2556 234 234 ASP HB3 H 2.306 0.020 2 2557 234 234 ASP C C 178.957 0.400 1 2558 234 234 ASP CA C 57.442 0.400 1 2559 234 234 ASP CB C 40.405 0.400 1 2560 234 234 ASP N N 122.924 0.400 1 2561 235 235 LEU H H 8.756 0.020 1 2562 235 235 LEU HA H 3.823 0.020 1 2563 235 235 LEU HB2 H 1.201 0.020 2 2564 235 235 LEU HB3 H 1.847 0.020 2 2565 235 235 LEU HG H 1.592 0.020 1 2566 235 235 LEU HD1 H -0.153 0.020 2 2567 235 235 LEU HD2 H 0.303 0.020 2 2568 235 235 LEU C C 178.274 0.400 1 2569 235 235 LEU CA C 56.777 0.400 1 2570 235 235 LEU CB C 43.435 0.400 1 2571 235 235 LEU CG C 25.986 0.400 1 2572 235 235 LEU CD1 C 24.185 0.400 1 2573 235 235 LEU CD2 C 21.987 0.400 1 2574 235 235 LEU N N 116.442 0.400 1 2575 236 236 TYR H H 7.430 0.020 1 2576 236 236 TYR HA H 4.568 0.020 1 2577 236 236 TYR HB2 H 2.742 0.020 2 2578 236 236 TYR HB3 H 2.985 0.020 2 2579 236 236 TYR HD1 H 6.867 0.020 1 2580 236 236 TYR HD2 H 6.867 0.020 1 2581 236 236 TYR HE1 H 6.171 0.020 1 2582 236 236 TYR HE2 H 6.171 0.020 1 2583 236 236 TYR C C 178.076 0.400 1 2584 236 236 TYR CA C 53.351 0.400 1 2585 236 236 TYR CB C 36.978 0.400 1 2586 236 236 TYR N N 116.600 0.400 1 2587 237 237 LEU H H 7.650 0.020 1 2588 237 237 LEU HA H 4.382 0.020 1 2589 237 237 LEU HB2 H 1.168 0.020 2 2590 237 237 LEU HB3 H 2.151 0.020 2 2591 237 237 LEU HG H 1.767 0.020 1 2592 237 237 LEU HD1 H 0.906 0.020 2 2593 237 237 LEU HD2 H 0.447 0.020 2 2594 237 237 LEU C C 178.081 0.400 1 2595 237 237 LEU CA C 55.573 0.400 1 2596 237 237 LEU CB C 40.950 0.400 1 2597 237 237 LEU CG C 26.755 0.400 1 2598 237 237 LEU CD1 C 26.722 0.400 1 2599 237 237 LEU CD2 C 21.984 0.400 1 2600 237 237 LEU N N 117.798 0.400 1 2601 238 238 LEU H H 7.941 0.020 1 2602 238 238 LEU HA H 4.141 0.020 1 2603 238 238 LEU HB2 H 1.828 0.020 2 2604 238 238 LEU HB3 H 1.117 0.020 2 2605 238 238 LEU HG H 1.557 0.020 1 2606 238 238 LEU HD1 H 0.468 0.020 2 2607 238 238 LEU HD2 H 0.427 0.020 2 2608 238 238 LEU C C 179.345 0.400 1 2609 238 238 LEU CA C 57.325 0.400 1 2610 238 238 LEU CB C 41.887 0.400 1 2611 238 238 LEU CG C 27.640 0.400 1 2612 238 238 LEU CD1 C 24.497 0.400 1 2613 238 238 LEU CD2 C 23.507 0.400 1 2614 238 238 LEU N N 119.793 0.400 1 2615 239 239 GLY H H 8.229 0.020 1 2616 239 239 GLY HA2 H 3.770 0.020 2 2617 239 239 GLY HA3 H 4.215 0.020 2 2618 239 239 GLY C C 172.529 0.400 1 2619 239 239 GLY CA C 45.062 0.400 1 2620 239 239 GLY N N 105.521 0.400 1 2621 240 240 SER H H 7.418 0.020 1 2622 240 240 SER HA H 5.019 0.020 1 2623 240 240 SER HB2 H 3.684 0.020 2 2624 240 240 SER HB3 H 4.167 0.020 2 2625 240 240 SER CA C 55.852 0.400 1 2626 240 240 SER CB C 66.122 0.400 1 2627 240 240 SER N N 113.490 0.400 1 2628 241 241 PRO HA H 4.659 0.020 1 2629 241 241 PRO HB2 H 2.298 0.020 2 2630 241 241 PRO HB3 H 2.633 0.020 2 2631 241 241 PRO HG2 H 1.881 0.020 2 2632 241 241 PRO HG3 H 1.974 0.020 2 2633 241 241 PRO HD2 H 3.397 0.020 2 2634 241 241 PRO HD3 H 4.023 0.020 2 2635 241 241 PRO C C 175.061 0.400 1 2636 241 241 PRO CA C 63.000 0.400 1 2637 241 241 PRO CB C 31.006 0.400 1 2638 241 241 PRO CG C 27.899 0.400 1 2639 241 241 PRO CD C 50.264 0.400 1 2640 242 242 VAL H H 10.360 0.020 1 2641 242 242 VAL HA H 5.295 0.020 1 2642 242 242 VAL HB H 2.170 0.020 1 2643 242 242 VAL HG1 H 1.232 0.020 2 2644 242 242 VAL HG2 H 1.310 0.020 2 2645 242 242 VAL C C 176.035 0.400 1 2646 242 242 VAL CA C 61.798 0.400 1 2647 242 242 VAL CB C 35.650 0.400 1 2648 242 242 VAL CG1 C 22.288 0.400 1 2649 242 242 VAL CG2 C 24.163 0.400 1 2650 242 242 VAL N N 127.292 0.400 1 2651 243 243 LYS H H 8.963 0.020 1 2652 243 243 LYS HA H 4.559 0.020 1 2653 243 243 LYS HB2 H 1.892 0.020 2 2654 243 243 LYS HB3 H 1.892 0.020 2 2655 243 243 LYS HG2 H 1.105 0.020 2 2656 243 243 LYS HG3 H 1.105 0.020 2 2657 243 243 LYS HD2 H 1.247 0.020 2 2658 243 243 LYS HD3 H 1.664 0.020 2 2659 243 243 LYS HE2 H 1.702 0.020 2 2660 243 243 LYS HE3 H 2.439 0.020 2 2661 243 243 LYS C C 175.453 0.400 1 2662 243 243 LYS CA C 53.707 0.400 1 2663 243 243 LYS CD C 28.210 0.400 1 2664 243 243 LYS CE C 40.950 0.400 1 2665 243 243 LYS N N 121.584 0.400 1 2666 244 244 GLY H H 7.257 0.020 1 2667 244 244 GLY HA2 H 3.749 0.020 2 2668 244 244 GLY HA3 H 4.054 0.020 2 2669 244 244 GLY C C 168.513 0.400 1 2670 244 244 GLY CA C 45.010 0.400 1 2671 244 244 GLY N N 109.193 0.400 1 2672 245 245 LYS H H 8.544 0.020 1 2673 245 245 LYS HA H 5.567 0.020 1 2674 245 245 LYS HB2 H 1.532 0.020 2 2675 245 245 LYS HB3 H 1.532 0.020 2 2676 245 245 LYS HG2 H 1.198 0.020 2 2677 245 245 LYS HG3 H 1.262 0.020 2 2678 245 245 LYS HD2 H 1.551 0.020 2 2679 245 245 LYS HD3 H 1.551 0.020 2 2680 245 245 LYS HE2 H 2.881 0.020 2 2681 245 245 LYS HE3 H 2.881 0.020 2 2682 245 245 LYS C C 175.743 0.400 1 2683 245 245 LYS CA C 54.221 0.400 1 2684 245 245 LYS CB C 34.456 0.400 1 2685 245 245 LYS CG C 24.785 0.400 1 2686 245 245 LYS CD C 29.653 0.400 1 2687 245 245 LYS CE C 41.337 0.400 1 2688 245 245 LYS N N 120.519 0.400 1 2689 246 246 PHE H H 9.451 0.020 1 2690 246 246 PHE HA H 5.697 0.020 1 2691 246 246 PHE HB2 H 3.142 0.020 2 2692 246 246 PHE HB3 H 2.891 0.020 2 2693 246 246 PHE HD1 H 7.259 0.020 1 2694 246 246 PHE HD2 H 7.259 0.020 1 2695 246 246 PHE HE1 H 6.996 0.020 1 2696 246 246 PHE HE2 H 6.996 0.020 1 2697 246 246 PHE HZ H 6.888 0.020 1 2698 246 246 PHE C C 175.253 0.400 1 2699 246 246 PHE CA C 56.518 0.400 1 2700 246 246 PHE CB C 43.401 0.400 1 2701 246 246 PHE N N 123.749 0.400 1 2702 247 247 TYR H H 9.266 0.020 1 2703 247 247 TYR HA H 5.376 0.020 1 2704 247 247 TYR HB2 H 3.189 0.020 2 2705 247 247 TYR HB3 H 2.759 0.020 2 2706 247 247 TYR HD1 H 6.841 0.020 1 2707 247 247 TYR HD2 H 6.841 0.020 1 2708 247 247 TYR HE1 H 6.677 0.020 1 2709 247 247 TYR HE2 H 6.677 0.020 1 2710 247 247 TYR C C 172.725 0.400 1 2711 247 247 TYR CA C 56.700 0.400 1 2712 247 247 TYR CB C 41.001 0.400 1 2713 247 247 TYR N N 125.762 0.400 1 2714 248 248 SER H H 8.399 0.020 1 2715 248 248 SER HA H 5.167 0.020 1 2716 248 248 SER HB2 H 3.597 0.020 2 2717 248 248 SER HB3 H 3.790 0.020 2 2718 248 248 SER HG H 5.315 0.020 1 2719 248 248 SER C C 171.359 0.400 1 2720 248 248 SER CA C 54.633 0.400 1 2721 248 248 SER CB C 65.188 0.400 1 2722 248 248 SER N N 121.735 0.400 1 2723 249 249 PHE H H 9.309 0.020 1 2724 249 249 PHE HA H 5.101 0.020 1 2725 249 249 PHE HB2 H 3.143 0.020 2 2726 249 249 PHE HB3 H 3.053 0.020 2 2727 249 249 PHE HD1 H 7.200 0.020 1 2728 249 249 PHE HD2 H 7.200 0.020 1 2729 249 249 PHE HE1 H 7.206 0.020 1 2730 249 249 PHE HE2 H 7.206 0.020 1 2731 249 249 PHE HZ H 8.017 0.020 1 2732 249 249 PHE C C 174.672 0.400 1 2733 249 249 PHE CA C 55.253 0.400 1 2734 249 249 PHE CB C 39.684 0.400 1 2735 249 249 PHE N N 127.943 0.400 1 2736 250 250 ARG H H 7.837 0.020 1 2737 250 250 ARG HA H 3.699 0.020 1 2738 250 250 ARG HB2 H 1.696 0.020 2 2739 250 250 ARG HB3 H 1.963 0.020 2 2740 250 250 ARG HG2 H -0.021 0.020 2 2741 250 250 ARG HG3 H 1.100 0.020 2 2742 250 250 ARG HD2 H 2.716 0.020 2 2743 250 250 ARG HD3 H 2.916 0.020 2 2744 250 250 ARG C C 176.229 0.400 1 2745 250 250 ARG CA C 57.767 0.400 1 2746 250 250 ARG CB C 27.899 0.400 1 2747 250 250 ARG CG C 26.967 0.400 1 2748 250 250 ARG CD C 44.094 0.400 1 2749 250 250 ARG N N 113.507 0.400 1 2750 251 251 GLY H H 6.926 0.020 1 2751 251 251 GLY HA2 H 3.810 0.020 2 2752 251 251 GLY HA3 H 4.041 0.020 2 2753 251 251 GLY C C 173.984 0.400 1 2754 251 251 GLY CA C 46.544 0.400 1 2755 251 251 GLY N N 101.350 0.400 1 2756 252 252 GLY H H 6.961 0.020 1 2757 252 252 GLY HA2 H 4.218 0.020 2 2758 252 252 GLY HA3 H 4.069 0.020 2 2759 252 252 GLY CA C 43.911 0.400 1 2760 252 252 GLY N N 108.617 0.400 1 2761 253 253 HIS HA H 4.389 0.020 1 2762 253 253 HIS HB2 H 3.172 0.020 2 2763 253 253 HIS HB3 H 3.429 0.020 2 2764 253 253 HIS HD2 H 7.181 0.020 1 2765 253 253 HIS HE1 H 7.523 0.020 1 2766 253 253 HIS CA C 59.593 0.400 1 2767 253 253 HIS CB C 27.899 0.400 1 2768 254 254 SER HA H 4.143 0.020 1 2769 254 254 SER HB2 H 3.702 0.020 2 2770 254 254 SER HB3 H 3.702 0.020 2 2771 254 254 SER C C 176.620 0.400 1 2772 254 254 SER CA C 61.743 0.400 1 2773 254 254 SER CB C 62.140 0.400 1 2774 255 255 LEU H H 7.825 0.020 1 2775 255 255 LEU HA H 4.118 0.020 1 2776 255 255 LEU HB2 H 1.568 0.020 2 2777 255 255 LEU HB3 H 1.731 0.020 2 2778 255 255 LEU HG H 1.719 0.020 1 2779 255 255 LEU HD1 H 0.852 0.020 2 2780 255 255 LEU HD2 H 0.790 0.020 2 2781 255 255 LEU C C 177.496 0.400 1 2782 255 255 LEU CA C 57.021 0.400 1 2783 255 255 LEU CB C 42.192 0.400 1 2784 255 255 LEU CG C 26.587 0.400 1 2785 255 255 LEU CD1 C 24.229 0.400 1 2786 255 255 LEU CD2 C 27.614 0.400 1 2787 255 255 LEU N N 125.094 0.400 1 2788 256 256 ASN H H 8.551 0.020 1 2789 256 256 ASN HA H 4.118 0.020 1 2790 256 256 ASN HB2 H 3.308 0.020 2 2791 256 256 ASN HB3 H 2.392 0.020 2 2792 256 256 ASN C C 177.788 0.400 1 2793 256 256 ASN CA C 55.586 0.400 1 2794 256 256 ASN CB C 37.892 0.400 1 2795 256 256 ASN N N 119.163 0.400 1 2796 257 257 VAL H H 8.441 0.020 1 2797 257 257 VAL HA H 3.548 0.020 1 2798 257 257 VAL HB H 2.135 0.020 1 2799 257 257 VAL HG1 H 0.943 0.020 2 2800 257 257 VAL HG2 H 1.024 0.020 2 2801 257 257 VAL C C 177.106 0.400 1 2802 257 257 VAL CA C 66.427 0.400 1 2803 257 257 VAL CB C 31.292 0.400 1 2804 257 257 VAL CG1 C 21.984 0.400 1 2805 257 257 VAL CG2 C 24.494 0.400 1 2806 257 257 VAL N N 117.797 0.400 1 2807 258 258 LYS H H 8.003 0.020 1 2808 258 258 LYS HA H 3.941 0.020 1 2809 258 258 LYS HB2 H 2.030 0.020 2 2810 258 258 LYS HB3 H 2.030 0.020 2 2811 258 258 LYS HG2 H 1.373 0.020 2 2812 258 258 LYS HG3 H 1.606 0.020 2 2813 258 258 LYS HD2 H 1.634 0.020 2 2814 258 258 LYS HD3 H 1.634 0.020 2 2815 258 258 LYS HE2 H 2.947 0.020 2 2816 258 258 LYS HE3 H 2.947 0.020 2 2817 258 258 LYS C C 179.055 0.400 1 2818 258 258 LYS CA C 60.470 0.400 1 2819 258 258 LYS CB C 32.227 0.400 1 2820 258 258 LYS CG C 25.688 0.400 1 2821 258 258 LYS CD C 29.385 0.400 1 2822 258 258 LYS CE C 41.907 0.400 1 2823 258 258 LYS N N 123.334 0.400 1 2824 259 259 LEU H H 8.255 0.020 1 2825 259 259 LEU HA H 3.985 0.020 1 2826 259 259 LEU HB2 H 1.598 0.020 2 2827 259 259 LEU HB3 H 2.357 0.020 2 2828 259 259 LEU HG H 1.634 0.020 1 2829 259 259 LEU HD1 H 0.977 0.020 2 2830 259 259 LEU HD2 H 1.125 0.020 2 2831 259 259 LEU C C 178.081 0.400 1 2832 259 259 LEU CA C 58.380 0.400 1 2833 259 259 LEU CB C 40.017 0.400 1 2834 259 259 LEU CG C 26.730 0.400 1 2835 259 259 LEU CD1 C 23.586 0.400 1 2836 259 259 LEU CD2 C 26.313 0.400 1 2837 259 259 LEU N N 119.159 0.400 1 2838 260 260 VAL H H 7.991 0.020 1 2839 260 260 VAL HA H 3.264 0.020 1 2840 260 260 VAL HB H 2.298 0.020 1 2841 260 260 VAL HG1 H 0.674 0.020 2 2842 260 260 VAL HG2 H 1.078 0.020 2 2843 260 260 VAL C C 176.716 0.400 1 2844 260 260 VAL CA C 67.370 0.400 1 2845 260 260 VAL CB C 31.332 0.400 1 2846 260 260 VAL CG1 C 21.075 0.400 1 2847 260 260 VAL CG2 C 23.593 0.400 1 2848 260 260 VAL N N 119.841 0.400 1 2849 261 261 LYS H H 8.411 0.020 1 2850 261 261 LYS HA H 3.221 0.020 1 2851 261 261 LYS HB2 H 1.665 0.020 2 2852 261 261 LYS HB3 H 1.845 0.020 2 2853 261 261 LYS HG2 H 1.453 0.020 2 2854 261 261 LYS HG3 H 1.453 0.020 2 2855 261 261 LYS HD2 H 1.369 0.020 2 2856 261 261 LYS HD3 H 1.482 0.020 2 2857 261 261 LYS HE2 H 2.762 0.020 2 2858 261 261 LYS HE3 H 3.048 0.020 2 2859 261 261 LYS C C 177.204 0.400 1 2860 261 261 LYS CA C 60.178 0.400 1 2861 261 261 LYS CB C 32.249 0.400 1 2862 261 261 LYS CD C 26.967 0.400 1 2863 261 261 LYS CE C 41.899 0.400 1 2864 261 261 LYS N N 117.401 0.400 1 2865 262 262 GLU H H 8.001 0.020 1 2866 262 262 GLU HA H 4.120 0.020 1 2867 262 262 GLU HB2 H 2.109 0.020 2 2868 262 262 GLU HB3 H 2.109 0.020 2 2869 262 262 GLU HG2 H 2.239 0.020 2 2870 262 262 GLU HG3 H 2.447 0.020 2 2871 262 262 GLU C C 179.836 0.400 1 2872 262 262 GLU CA C 58.980 0.400 1 2873 262 262 GLU CB C 29.400 0.400 1 2874 262 262 GLU CG C 35.655 0.400 1 2875 262 262 GLU N N 119.589 0.400 1 2876 263 263 LEU H H 8.755 0.020 1 2877 263 263 LEU HA H 4.089 0.020 1 2878 263 263 LEU HB2 H 2.068 0.020 2 2879 263 263 LEU HB3 H 1.539 0.020 2 2880 263 263 LEU HG H 1.894 0.020 1 2881 263 263 LEU HD1 H 0.938 0.020 2 2882 263 263 LEU HD2 H 1.144 0.020 2 2883 263 263 LEU C C 179.447 0.400 1 2884 263 263 LEU CA C 57.809 0.400 1 2885 263 263 LEU CB C 41.888 0.400 1 2886 263 263 LEU CG C 27.325 0.400 1 2887 263 263 LEU CD1 C 26.001 0.400 1 2888 263 263 LEU CD2 C 24.504 0.400 1 2889 263 263 LEU N N 121.060 0.400 1 2890 264 264 ALA H H 8.380 0.020 1 2891 264 264 ALA HA H 4.149 0.020 1 2892 264 264 ALA HB H 1.328 0.020 1 2893 264 264 ALA C C 179.834 0.400 1 2894 264 264 ALA CA C 54.345 0.400 1 2895 264 264 ALA CB C 18.263 0.400 1 2896 264 264 ALA N N 120.100 0.400 1 2897 265 265 LYS H H 7.530 0.020 1 2898 265 265 LYS HA H 4.141 0.020 1 2899 265 265 LYS HB2 H 1.984 0.020 2 2900 265 265 LYS HB3 H 1.984 0.020 2 2901 265 265 LYS HG2 H 1.510 0.020 2 2902 265 265 LYS HG3 H 1.688 0.020 2 2903 265 265 LYS HD2 H 1.753 0.020 2 2904 265 265 LYS HD3 H 1.753 0.020 2 2905 265 265 LYS HE2 H 2.960 0.020 2 2906 265 265 LYS HE3 H 2.960 0.020 2 2907 265 265 LYS C C 178.376 0.400 1 2908 265 265 LYS CA C 58.717 0.400 1 2909 265 265 LYS CB C 32.788 0.400 1 2910 265 265 LYS CG C 24.809 0.400 1 2911 265 265 LYS CD C 29.368 0.400 1 2912 265 265 LYS CE C 41.650 0.400 1 2913 265 265 LYS N N 117.235 0.400 1 2914 266 266 LYS H H 7.797 0.020 1 2915 266 266 LYS HA H 4.277 0.020 1 2916 266 266 LYS HB2 H 2.033 0.020 2 2917 266 266 LYS HB3 H 2.087 0.020 2 2918 266 266 LYS HG2 H 1.606 0.020 2 2919 266 266 LYS HG3 H 1.606 0.020 2 2920 266 266 LYS HD2 H 1.746 0.020 2 2921 266 266 LYS HD3 H 1.746 0.020 2 2922 266 266 LYS HE2 H 3.003 0.020 2 2923 266 266 LYS HE3 H 3.003 0.020 2 2924 266 266 LYS C C 178.080 0.400 1 2925 266 266 LYS CA C 56.824 0.400 1 2926 266 266 LYS CB C 32.503 0.400 1 2927 266 266 LYS CG C 24.809 0.400 1 2928 266 266 LYS CD C 28.806 0.400 1 2929 266 266 LYS CE C 41.622 0.400 1 2930 266 266 LYS N N 117.966 0.400 1 2931 267 267 GLN H H 7.798 0.020 1 2932 267 267 GLN HA H 4.378 0.020 1 2933 267 267 GLN HB2 H 2.137 0.020 2 2934 267 267 GLN HB3 H 2.275 0.020 2 2935 267 267 GLN HG2 H 2.412 0.020 2 2936 267 267 GLN HG3 H 2.483 0.020 2 2937 267 267 GLN HE21 H 6.935 0.020 2 2938 267 267 GLN HE22 H 7.330 0.020 2 2939 267 267 GLN C C 175.937 0.400 1 2940 267 267 GLN CA C 56.451 0.400 1 2941 267 267 GLN CB C 29.170 0.400 1 2942 267 267 GLN CG C 34.498 0.400 1 2943 267 267 GLN N N 118.634 0.400 1 2944 267 267 GLN NE2 N 112.012 0.400 1 2945 268 268 LYS H H 8.124 0.020 1 2946 268 268 LYS HA H 4.315 0.020 1 2947 268 268 LYS HB2 H 1.840 0.020 2 2948 268 268 LYS HB3 H 1.840 0.020 2 2949 268 268 LYS HG2 H 1.498 0.020 2 2950 268 268 LYS HG3 H 1.498 0.020 2 2951 268 268 LYS HD2 H 1.680 0.020 2 2952 268 268 LYS HD3 H 1.680 0.020 2 2953 268 268 LYS HE2 H 2.960 0.020 2 2954 268 268 LYS HE3 H 2.960 0.020 2 2955 268 268 LYS C C 176.812 0.400 1 2956 268 268 LYS CA C 56.808 0.400 1 2957 268 268 LYS CB C 32.500 0.400 1 2958 268 268 LYS CG C 24.500 0.400 1 2959 268 268 LYS CD C 29.370 0.400 1 2960 268 268 LYS CE C 41.900 0.400 1 2961 268 268 LYS N N 121.334 0.400 1 2962 269 269 LEU H H 8.183 0.020 1 2963 269 269 LEU HA H 4.476 0.020 1 2964 269 269 LEU HB2 H 1.687 0.020 2 2965 269 269 LEU HB3 H 1.734 0.020 2 2966 269 269 LEU HG H 1.709 0.020 1 2967 269 269 LEU HD1 H 0.994 0.020 2 2968 269 269 LEU HD2 H 0.931 0.020 2 2969 269 269 LEU C C 177.787 0.400 1 2970 269 269 LEU CA C 55.288 0.400 1 2971 269 269 LEU CB C 42.477 0.400 1 2972 269 269 LEU CG C 27.089 0.400 1 2973 269 269 LEU CD1 C 24.809 0.400 1 2974 269 269 LEU CD2 C 23.384 0.400 1 2975 269 269 LEU N N 122.216 0.400 1 2976 270 270 THR H H 8.048 0.020 1 2977 270 270 THR HA H 4.382 0.020 1 2978 270 270 THR HB H 4.272 0.020 1 2979 270 270 THR HG2 H 1.231 0.020 1 2980 270 270 THR C C 172.918 0.400 1 2981 270 270 THR CA C 61.506 0.400 1 2982 270 270 THR CB C 69.634 0.400 1 2983 270 270 THR CG2 C 21.374 0.400 1 2984 270 270 THR N N 114.411 0.400 1 2985 271 271 ARG H H 8.122 0.020 1 2986 271 271 ARG HA H 4.394 0.020 1 2987 271 271 ARG C C 175.889 0.400 1 2988 271 271 ARG CA C 55.670 0.400 1 2989 271 271 ARG N N 122.410 0.400 1 2990 272 272 ASP H H 8.240 0.020 1 2991 272 272 ASP HA H 4.593 0.020 1 2992 272 272 ASP C C 175.544 0.400 1 2993 272 272 ASP CA C 54.481 0.400 1 2994 272 272 ASP N N 121.443 0.400 1 2995 273 273 LEU H H 7.939 0.020 1 2996 273 273 LEU HA H 4.658 0.020 1 2997 273 273 LEU HB2 H 1.632 0.020 2 2998 273 273 LEU HB3 H 1.632 0.020 2 2999 273 273 LEU HG H 1.717 0.020 1 3000 273 273 LEU HD1 H 0.963 0.020 2 3001 273 273 LEU HD2 H 0.962 0.020 2 3002 273 273 LEU CA C 53.014 0.400 1 3003 273 273 LEU CB C 41.622 0.400 1 3004 273 273 LEU CG C 27.089 0.400 1 3005 273 273 LEU CD1 C 23.099 0.400 1 3006 273 273 LEU CD2 C 25.094 0.400 1 3007 273 273 LEU N N 123.471 0.400 1 3008 274 274 PRO HA H 4.247 0.020 1 3009 274 274 PRO HB2 H 1.906 0.020 2 3010 274 274 PRO HB3 H 2.226 0.020 2 3011 274 274 PRO HG2 H 2.000 0.020 2 3012 274 274 PRO HG3 H 2.000 0.020 2 3013 274 274 PRO HD2 H 3.643 0.020 2 3014 274 274 PRO HD3 H 3.779 0.020 2 3015 274 274 PRO CA C 64.704 0.400 1 3016 274 274 PRO CB C 31.933 0.400 1 3017 274 274 PRO CG C 27.089 0.400 1 3018 274 274 PRO CD C 50.171 0.400 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' '3D HNCACB' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C 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 CHIR-090 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 C90 HA11 H 3.509 0.002 1 2 1 1 C90 HA12 H 3.509 0.002 1 3 1 1 C90 HA21 H 3.509 0.002 1 4 1 1 C90 HA22 H 3.509 0.002 1 5 1 1 C90 CA1 C 68.760 0.400 1 6 1 1 C90 CA2 C 68.760 0.400 1 7 1 1 C90 HB11 H 2.330 0.002 1 8 1 1 C90 HB12 H 2.330 0.002 1 9 1 1 C90 HB21 H 2.330 0.002 1 10 1 1 C90 HB22 H 2.330 0.002 1 11 1 1 C90 CB1 C 55.180 0.400 1 12 1 1 C90 CB2 C 55.180 0.400 1 13 1 1 C90 H51 H 3.771 0.002 1 14 1 1 C90 H52 H 3.285 0.002 1 15 1 1 C90 HC1 H 6.952 0.003 1 16 1 1 C90 HC2 H 6.952 0.003 1 17 1 1 C90 HD1 H 7.202 0.000 1 18 1 1 C90 HD2 H 7.202 0.000 1 19 1 1 C90 HE1 H 7.430 0.002 1 20 1 1 C90 HE2 H 7.430 0.002 1 21 1 1 C90 HF1 H 8.055 0.003 1 22 1 1 C90 HF H 8.055 0.003 1 23 1 1 C90 H17 H 7.833 0.000 1 24 1 1 C90 N17 N 111.655 0.400 1 25 1 1 C90 H18 H 5.225 0.003 1 26 1 1 C90 C18 C 58.630 0.400 1 27 1 1 C90 H19 H 4.101 0.002 1 28 1 1 C90 C19 C 69.970 0.400 1 29 1 1 C90 H211 H 0.995 0.001 1 30 1 1 C90 H212 H 0.995 0.001 1 31 1 1 C90 H213 H 0.995 0.001 1 32 1 1 C90 C21 C 20.580 0.400 1 stop_ save_