data_27417 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Putative methyltransferase WBSCR27 in complex with S-adenosyl-L-methionine ; _BMRB_accession_number 27417 _BMRB_flat_file_name bmr27417.str _Entry_type original _Submission_date 2018-03-06 _Accession_date 2018-03-06 _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 Mariasina Sofia S. . 2 Polshakov Vladimir I. . 3 Chang Chi-Fon . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 949 "13C chemical shifts" 779 "15N chemical shifts" 214 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-11-13 update BMRB 'update entry citation' 2018-06-20 original author 'original release' stop_ _Original_release_date 2018-03-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR assignments of the WBSCR27 protein related to Williams-Beuren syndrome ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29868988 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mariasina Sofia S. . 2 Petrova Olga A. . 3 Osterman Ilya A. . 4 Sergeeva Olga V. . 5 Efimov Sergey V. . 6 Klochkov Vladimir V. . 7 Sergiev Petr V. . 8 Dontsova Olga A. . 9 Huang Tai-Huang H. . 10 Chang Chi-Fon F. . 11 Polshakov Vladimir I. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 12 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 303 _Page_last 308 _Year 2018 _Details . loop_ _Keyword 'NMR assignments' S-Adenosyl-L-methionine 'Williams-Beuren syndrome' methyltransferase 'protein secondary structure' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'WBSCR27 in complex with SAM' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label WBSCR27 $WBSCR27_putative_methyltransferase SAM $entity_SAM stop_ _System_molecular_weight 26361 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'SAM is the methyl group donor.' save_ ######################## # Monomeric polymers # ######################## save_WBSCR27_putative_methyltransferase _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common WBSCR27_putative_methyltransferase _Molecular_mass 25963 _Mol_thiol_state 'all free' loop_ _Biological_function 'Putative methyltransferase associated to Williams-Beuren Syndrome' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 240 _Mol_residue_sequence ; GAMAQEEAGRLPQVLARVGT SHGITDLACKLRFYDDWAPE YDQDVAALKYRAPRLAVDCL SRAFRGSPHDALILDVACGT GLVAVELQARGFLQVQGVDG SPEMLKQARARGLYHHLSLC TLGQEPLPDPEGTFDAVIIV GALSEGQVPCSAIPELLRVT KPGGLVCLTTRTNPSNLPYK ETLEATLDSLERAGVWECLV TQPVDHWELATSEQETGLGT CANDGFISGIIYLYRKQETV ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 ALA 5 GLN 6 GLU 7 GLU 8 ALA 9 GLY 10 ARG 11 LEU 12 PRO 13 GLN 14 VAL 15 LEU 16 ALA 17 ARG 18 VAL 19 GLY 20 THR 21 SER 22 HIS 23 GLY 24 ILE 25 THR 26 ASP 27 LEU 28 ALA 29 CYS 30 LYS 31 LEU 32 ARG 33 PHE 34 TYR 35 ASP 36 ASP 37 TRP 38 ALA 39 PRO 40 GLU 41 TYR 42 ASP 43 GLN 44 ASP 45 VAL 46 ALA 47 ALA 48 LEU 49 LYS 50 TYR 51 ARG 52 ALA 53 PRO 54 ARG 55 LEU 56 ALA 57 VAL 58 ASP 59 CYS 60 LEU 61 SER 62 ARG 63 ALA 64 PHE 65 ARG 66 GLY 67 SER 68 PRO 69 HIS 70 ASP 71 ALA 72 LEU 73 ILE 74 LEU 75 ASP 76 VAL 77 ALA 78 CYS 79 GLY 80 THR 81 GLY 82 LEU 83 VAL 84 ALA 85 VAL 86 GLU 87 LEU 88 GLN 89 ALA 90 ARG 91 GLY 92 PHE 93 LEU 94 GLN 95 VAL 96 GLN 97 GLY 98 VAL 99 ASP 100 GLY 101 SER 102 PRO 103 GLU 104 MET 105 LEU 106 LYS 107 GLN 108 ALA 109 ARG 110 ALA 111 ARG 112 GLY 113 LEU 114 TYR 115 HIS 116 HIS 117 LEU 118 SER 119 LEU 120 CYS 121 THR 122 LEU 123 GLY 124 GLN 125 GLU 126 PRO 127 LEU 128 PRO 129 ASP 130 PRO 131 GLU 132 GLY 133 THR 134 PHE 135 ASP 136 ALA 137 VAL 138 ILE 139 ILE 140 VAL 141 GLY 142 ALA 143 LEU 144 SER 145 GLU 146 GLY 147 GLN 148 VAL 149 PRO 150 CYS 151 SER 152 ALA 153 ILE 154 PRO 155 GLU 156 LEU 157 LEU 158 ARG 159 VAL 160 THR 161 LYS 162 PRO 163 GLY 164 GLY 165 LEU 166 VAL 167 CYS 168 LEU 169 THR 170 THR 171 ARG 172 THR 173 ASN 174 PRO 175 SER 176 ASN 177 LEU 178 PRO 179 TYR 180 LYS 181 GLU 182 THR 183 LEU 184 GLU 185 ALA 186 THR 187 LEU 188 ASP 189 SER 190 LEU 191 GLU 192 ARG 193 ALA 194 GLY 195 VAL 196 TRP 197 GLU 198 CYS 199 LEU 200 VAL 201 THR 202 GLN 203 PRO 204 VAL 205 ASP 206 HIS 207 TRP 208 GLU 209 LEU 210 ALA 211 THR 212 SER 213 GLU 214 GLN 215 GLU 216 THR 217 GLY 218 LEU 219 GLY 220 THR 221 CYS 222 ALA 223 ASN 224 ASP 225 GLY 226 PHE 227 ILE 228 SER 229 GLY 230 ILE 231 ILE 232 TYR 233 LEU 234 TYR 235 ARG 236 LYS 237 GLN 238 GLU 239 THR 240 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 Q8BGM4-1 WBSCR27 WBSCR27 . . . . . stop_ save_ ############# # Ligands # ############# save_SAM _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_SAM (S-ADENOSYLMETHIONINE)" _BMRB_code SAM _PDB_code SAM _Molecular_mass 398.437 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . -1 . ? CB CB C . 0 . ? CG CG C . 0 . ? SD SD S . 1 . ? CE CE C . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C1' C1' C . 0 . ? N9 N9 N . 0 . ? C8 C8 C . 0 . ? N7 N7 N . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? N6 N6 N . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? HN1 HN1 H . 0 . ? HN2 HN2 H . 0 . ? HA HA H . 0 . ? HB1 HB1 H . 0 . ? HB2 HB2 H . 0 . ? HG1 HG1 H . 0 . ? HG2 HG2 H . 0 . ? HE1 HE1 H . 0 . ? HE2 HE2 H . 0 . ? HE3 HE3 H . 0 . ? H5'1 H5'1 H . 0 . ? H5'2 H5'2 H . 0 . ? H4' H4' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H2' H2' H . 0 . ? HO2' HO2' H . 0 . ? H1' H1' H . 0 . ? H8 H8 H . 0 . ? HN61 HN61 H . 0 . ? HN62 HN62 H . 0 . ? H2 H2 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N HN1 ? ? SING N HN2 ? ? SING CA C ? ? SING CA CB ? ? SING CA HA ? ? DOUB C O ? ? SING C OXT ? ? SING CB CG ? ? SING CB HB1 ? ? SING CB HB2 ? ? SING CG SD ? ? SING CG HG1 ? ? SING CG HG2 ? ? SING SD CE ? ? SING SD C5' ? ? SING CE HE1 ? ? SING CE HE2 ? ? SING CE HE3 ? ? SING C5' C4' ? ? SING C5' H5'1 ? ? SING C5' H5'2 ? ? SING C4' O4' ? ? SING C4' C3' ? ? SING C4' H4' ? ? SING O4' C1' ? ? SING C3' O3' ? ? SING C3' C2' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C2' O2' ? ? SING C2' C1' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C1' N9 ? ? SING C1' H1' ? ? SING N9 C8 ? ? SING N9 C4 ? ? DOUB C8 N7 ? ? SING C8 H8 ? ? SING N7 C5 ? ? SING C5 C6 ? ? DOUB C5 C4 ? ? SING C6 N6 ? ? DOUB C6 N1 ? ? SING N6 HN61 ? ? SING N6 HN62 ? ? SING N1 C2 ? ? DOUB C2 N3 ? ? SING C2 H2 ? ? SING N3 C4 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $WBSCR27_putative_methyltransferase Mouse 10090 Eukaryota Metazoa Mus musculus WBSCR27 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $WBSCR27_putative_methyltransferase 'recombinant technology' . Escherichia coli BL21 DE3 pET30aTEV stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $WBSCR27_putative_methyltransferase 0.8 mM '[U-99% 15N]' $entity_SAM 5 mM 'natural abundance' NaCl 50 mM 'natural abundance' 'Sodium phosphate buffer (pH 7)' 50 mM 'natural abundance' 'DL-Dithiothreitol (DTT)' 10 mM 'natural abundance' 'Sodium azide (NaN3)' 0.02 % 'natural abundance' stop_ save_ save_sample_CN_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $WBSCR27_putative_methyltransferase 0.4 mM '[U-99% 13C; U-99% 15N]' $entity_SAM 2 mM 'natural abundance' NaCl 50 mM 'natural abundance' 'Sodium phosphate buffer (pH 7)' 50 mM 'natural abundance' 'DL-Dithiothreitol (DTT)' 10 mM 'natural abundance' 'Sodium azide (NaN3)' 0.02 % 'natural abundance' stop_ save_ save_sample_CN _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $WBSCR27_putative_methyltransferase 0.6 mM '[U-99% 13C; U-99% 15N]' $entity_SAM 5 mM 'natural abundance' NaCl 50 mM 'natural abundance' 'Sodium phosphate buffer (pH 7)' 50 mM 'natural abundance' 'DL-Dithiothreitol (DTT)' 10 mM 'natural abundance' 'Sodium azide (NaN3)' 0.02 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version NMRFAM loop_ _Vendor _Address _Electronic_address '(NMRFAM Sparky) W. Lee' . whlee@nmrfam.wisc.edu Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version v3.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_PINE _Saveframe_category software _Name PINE _Version . loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version . loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version TALOS+ loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_NMRest _Saveframe_category software _Name NMRest _Version . loop_ _Vendor _Address _Electronic_address Polshakov . polshakov@mail.ru stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance_600_MHz _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_Bruker_Avance_700_MHz _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_Bruker_Avance_850_MHz _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_N save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_CN save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_CN save_ save_3D_HCACO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_CN save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_CN save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_CN save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_CN save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_CN save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_N save_ save_3D_HNHAHB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHAHB' _Sample_label $sample_N save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_N save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_CN save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_CN_D2O save_ save_3D_HCCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_CN save_ save_2D_15{1H}NOE_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15{1H}NOE' _Sample_label $sample_CN save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 7 . pH pressure 1 . atm temperature 308 . 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 na indirect . . . 0.251449530 water H 1 protons ppm 4.65 internal direct . . . 1.000000000 'liquid anhydrous ammonia' N 15 nitrogen ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HCACO' '3D HN(CO)CA' '3D HNCA' '3D CBCA(CO)NH' '3D HNCACB' '3D HBHA(CO)NH' '3D HNHAHB' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_N $sample_CN $sample_CN_D2O stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name WBSCR27 _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 2 2 ALA HA H 4.325 0.01 1 2 2 2 ALA HB H 1.362 0.00 1 3 2 2 ALA C C 177.731 0.00 1 4 2 2 ALA CA C 52.527 0.02 1 5 2 2 ALA CB C 19.288 0.08 1 6 3 3 MET H H 8.433 0.02 1 7 3 3 MET HA H 4.418 0.01 1 8 3 3 MET HB2 H 2.057 0.01 2 9 3 3 MET HB3 H 1.985 0.00 2 10 3 3 MET HG2 H 2.591 0.01 2 11 3 3 MET HG3 H 2.524 0.00 2 12 3 3 MET C C 176.015 0.02 1 13 3 3 MET CA C 55.402 0.09 1 14 3 3 MET CB C 32.856 0.03 1 15 3 3 MET CG C 31.799 0.02 1 16 3 3 MET N N 119.958 0.13 1 17 4 4 ALA H H 8.374 0.01 1 18 4 4 ALA HA H 4.274 0.01 1 19 4 4 ALA HB H 1.376 0.01 1 20 4 4 ALA C C 177.823 0.01 1 21 4 4 ALA CA C 52.706 0.05 1 22 4 4 ALA CB C 18.944 0.07 1 23 4 4 ALA N N 125.682 0.06 1 24 5 5 GLN H H 8.365 0.02 1 25 5 5 GLN HA H 4.260 0.01 1 26 5 5 GLN HB2 H 2.081 0.00 2 27 5 5 GLN HB3 H 1.983 0.01 2 28 5 5 GLN HG2 H 2.332 0.01 2 29 5 5 GLN HG3 H 2.332 0.01 2 30 5 5 GLN HE21 H 7.510 0.02 2 31 5 5 GLN HE22 H 6.801 0.02 2 32 5 5 GLN C C 176.362 0.02 1 33 5 5 GLN CA C 56.226 0.06 1 34 5 5 GLN CB C 29.190 0.03 1 35 5 5 GLN CG C 33.750 0.04 1 36 5 5 GLN CD C 180.339 0.01 1 37 5 5 GLN N N 119.745 0.06 1 38 5 5 GLN NE2 N 112.139 0.27 1 39 6 6 GLU H H 8.470 0.01 1 40 6 6 GLU HA H 4.219 0.01 1 41 6 6 GLU HB2 H 2.046 0.00 2 42 6 6 GLU HB3 H 1.969 0.00 2 43 6 6 GLU HG2 H 2.240 0.00 2 44 6 6 GLU HG3 H 2.240 0.00 2 45 6 6 GLU C C 176.980 0.02 1 46 6 6 GLU CA C 57.020 0.11 1 47 6 6 GLU CB C 29.956 0.01 1 48 6 6 GLU N N 121.899 0.08 1 49 7 7 GLU H H 8.385 0.01 1 50 7 7 GLU HA H 4.225 0.01 1 51 7 7 GLU HB2 H 2.056 0.00 2 52 7 7 GLU HB3 H 1.979 0.00 2 53 7 7 GLU C C 176.951 0.00 1 54 7 7 GLU CA C 57.125 0.15 1 55 7 7 GLU CB C 29.951 0.02 1 56 7 7 GLU N N 122.035 0.07 1 57 8 8 ALA H H 8.299 0.02 1 58 8 8 ALA HA H 4.277 0.01 1 59 8 8 ALA HB H 1.419 0.01 1 60 8 8 ALA C C 179.023 0.04 1 61 8 8 ALA CA C 53.404 0.12 1 62 8 8 ALA CB C 18.767 0.07 1 63 8 8 ALA N N 124.439 0.15 1 64 9 9 GLY H H 8.282 0.01 1 65 9 9 GLY HA2 H 3.950 0.01 2 66 9 9 GLY HA3 H 3.950 0.01 2 67 9 9 GLY C C 174.592 0.03 1 68 9 9 GLY CA C 45.591 0.15 1 69 9 9 GLY N N 106.812 0.14 1 70 10 10 ARG H H 8.029 0.01 1 71 10 10 ARG HA H 4.372 0.01 1 72 10 10 ARG HB2 H 2.023 0.00 2 73 10 10 ARG C C 177.049 0.03 1 74 10 10 ARG CA C 56.525 0.03 1 75 10 10 ARG CB C 30.919 0.00 1 76 10 10 ARG N N 119.879 0.11 1 77 11 11 LEU H H 8.071 0.01 1 78 11 11 LEU HA H 4.163 0.01 1 79 11 11 LEU HB2 H 1.807 0.01 2 80 11 11 LEU HB3 H 1.656 0.02 2 81 11 11 LEU HD1 H 0.873 0.01 2 82 11 11 LEU CA C 59.084 0.09 1 83 11 11 LEU CB C 39.402 0.11 1 84 11 11 LEU CD1 C 24.581 0.24 2 85 11 11 LEU N N 120.984 0.09 1 86 12 12 PRO HA H 4.152 0.01 1 87 12 12 PRO HB2 H 2.287 0.01 2 88 12 12 PRO HB3 H 2.287 0.01 2 89 12 12 PRO HG2 H 1.319 0.00 2 90 12 12 PRO HG3 H 1.319 0.00 2 91 12 12 PRO HD2 H 3.668 0.01 2 92 12 12 PRO HD3 H 3.579 0.01 2 93 12 12 PRO C C 179.588 0.00 1 94 12 12 PRO CA C 66.288 0.13 1 95 12 12 PRO CB C 30.397 0.00 1 96 12 12 PRO CD C 49.714 0.06 1 97 13 13 GLN H H 7.604 0.02 1 98 13 13 GLN HA H 4.153 0.01 1 99 13 13 GLN C C 178.482 0.00 1 100 13 13 GLN CA C 58.665 0.03 1 101 13 13 GLN CB C 28.404 0.00 1 102 13 13 GLN N N 116.776 0.09 1 103 14 14 VAL H H 7.964 0.01 1 104 14 14 VAL HA H 3.546 0.03 1 105 14 14 VAL HB H 2.279 0.02 1 106 14 14 VAL HG1 H 1.061 0.03 2 107 14 14 VAL HG2 H 0.942 0.02 2 108 14 14 VAL C C 177.517 0.00 1 109 14 14 VAL CA C 66.143 0.17 1 110 14 14 VAL CB C 31.636 0.09 1 111 14 14 VAL CG1 C 22.169 0.07 2 112 14 14 VAL CG2 C 21.768 0.04 2 113 14 14 VAL N N 122.676 0.18 1 114 15 15 LEU H H 8.521 0.01 1 115 15 15 LEU C C 179.882 0.00 1 116 15 15 LEU CA C 57.897 0.02 1 117 15 15 LEU N N 118.603 0.08 1 118 16 16 ALA H H 7.584 0.01 1 119 16 16 ALA HA H 4.119 0.01 1 120 16 16 ALA HB H 1.409 0.01 1 121 16 16 ALA C C 179.871 0.00 1 122 16 16 ALA CA C 54.546 0.03 1 123 16 16 ALA CB C 17.917 0.17 1 124 16 16 ALA N N 121.212 0.13 1 125 17 17 ARG H H 7.728 0.01 1 126 17 17 ARG HA H 3.897 0.02 1 127 17 17 ARG HB2 H 1.829 0.01 2 128 17 17 ARG HB3 H 1.418 0.02 2 129 17 17 ARG HG2 H 1.290 0.03 2 130 17 17 ARG HG3 H 1.040 0.01 2 131 17 17 ARG HD2 H 2.695 0.01 2 132 17 17 ARG HD3 H 2.454 0.01 2 133 17 17 ARG C C 178.071 0.05 1 134 17 17 ARG CA C 59.320 0.26 1 135 17 17 ARG CB C 30.311 0.07 1 136 17 17 ARG CG C 26.703 0.11 1 137 17 17 ARG CD C 43.364 0.13 1 138 17 17 ARG N N 121.342 0.16 1 139 18 18 VAL H H 8.552 0.02 1 140 18 18 VAL HA H 4.163 0.00 1 141 18 18 VAL CA C 65.615 0.04 1 142 18 18 VAL N N 118.795 0.14 1 143 20 20 THR HA H 4.263 0.00 1 144 20 20 THR C C 174.240 0.00 1 145 20 20 THR CA C 62.281 0.13 1 146 20 20 THR CB C 69.310 0.00 1 147 21 21 SER H H 7.626 0.04 1 148 21 21 SER HA H 4.494 0.01 1 149 21 21 SER HB2 H 3.942 0.00 2 150 21 21 SER HB3 H 3.762 0.00 2 151 21 21 SER C C 174.726 0.00 1 152 21 21 SER CA C 57.425 0.10 1 153 21 21 SER CB C 64.506 0.12 1 154 21 21 SER N N 114.164 0.23 1 155 22 22 HIS H H 8.880 0.03 1 156 22 22 HIS C C 177.479 0.00 1 157 22 22 HIS CA C 57.837 0.04 1 158 22 22 HIS N N 123.082 0.17 1 159 26 26 ASP C C 175.971 0.00 1 160 27 27 LEU H H 8.675 0.02 1 161 27 27 LEU HA H 4.487 0.01 1 162 27 27 LEU HB2 H 1.711 0.01 2 163 27 27 LEU HB3 H 1.711 0.01 2 164 27 27 LEU C C 177.497 0.00 1 165 27 27 LEU CA C 58.022 0.08 1 166 27 27 LEU N N 128.645 0.10 1 167 28 28 ALA H H 8.236 0.01 1 168 28 28 ALA HA H 4.038 0.01 1 169 28 28 ALA HB H 1.480 0.01 1 170 28 28 ALA C C 181.426 0.01 1 171 28 28 ALA CA C 55.579 0.12 1 172 28 28 ALA CB C 17.564 0.10 1 173 28 28 ALA N N 120.324 0.15 1 174 29 29 CYS H H 7.959 0.01 1 175 29 29 CYS HA H 4.089 0.01 1 176 29 29 CYS HB2 H 3.103 0.01 2 177 29 29 CYS HB3 H 2.911 0.01 2 178 29 29 CYS C C 177.516 0.00 1 179 29 29 CYS CA C 62.204 0.05 1 180 29 29 CYS CB C 26.855 0.12 1 181 29 29 CYS N N 116.615 0.10 1 182 30 30 LYS H H 8.718 0.02 1 183 30 30 LYS C C 178.525 0.00 1 184 30 30 LYS CA C 58.503 0.00 1 185 30 30 LYS CB C 30.774 0.00 1 186 30 30 LYS N N 124.926 0.11 1 187 31 31 LEU H H 8.843 0.01 1 188 31 31 LEU HA H 4.297 0.01 1 189 31 31 LEU HB2 H 1.836 0.01 2 190 31 31 LEU HB3 H 1.243 0.01 2 191 31 31 LEU HG H 1.616 0.01 1 192 31 31 LEU HD1 H 0.489 0.01 2 193 31 31 LEU HD2 H -0.081 0.02 2 194 31 31 LEU C C 179.161 0.04 1 195 31 31 LEU CA C 58.539 0.24 1 196 31 31 LEU CB C 40.374 0.14 1 197 31 31 LEU CG C 26.833 0.11 1 198 31 31 LEU CD1 C 25.356 0.07 2 199 31 31 LEU CD2 C 20.875 0.07 2 200 31 31 LEU N N 119.307 0.12 1 201 32 32 ARG H H 7.499 0.01 1 202 32 32 ARG HA H 4.061 0.04 1 203 32 32 ARG C C 178.494 0.00 1 204 32 32 ARG CA C 59.129 0.07 1 205 32 32 ARG CB C 29.998 0.05 1 206 32 32 ARG N N 118.285 0.22 1 207 33 33 PHE H H 7.926 0.01 1 208 33 33 PHE HA H 4.229 0.01 1 209 33 33 PHE HB2 H 3.459 0.02 2 210 33 33 PHE HB3 H 3.050 0.02 2 211 33 33 PHE HD1 H 6.763 0.01 3 212 33 33 PHE HD2 H 6.763 0.01 3 213 33 33 PHE C C 178.484 0.02 1 214 33 33 PHE CA C 61.375 0.21 1 215 33 33 PHE CB C 38.016 0.15 1 216 33 33 PHE N N 122.317 0.14 1 217 34 34 TYR H H 8.510 0.01 1 218 34 34 TYR HA H 4.289 0.01 1 219 34 34 TYR CA C 64.655 0.03 1 220 34 34 TYR N N 120.410 0.07 1 221 35 35 ASP H H 8.380 0.01 1 222 35 35 ASP HA H 4.403 0.02 1 223 35 35 ASP HB2 H 3.125 0.01 2 224 35 35 ASP HB3 H 2.568 0.02 2 225 35 35 ASP C C 178.036 0.00 1 226 35 35 ASP CA C 57.219 0.08 1 227 35 35 ASP CB C 40.432 0.10 1 228 35 35 ASP N N 119.519 0.09 1 229 36 36 ASP H H 7.362 0.01 1 230 36 36 ASP HA H 4.377 0.00 1 231 36 36 ASP C C 177.196 0.02 1 232 36 36 ASP CA C 56.126 0.13 1 233 36 36 ASP CB C 41.391 0.04 1 234 36 36 ASP N N 117.439 0.13 1 235 37 37 TRP H H 8.200 0.01 1 236 37 37 TRP C C 176.992 0.00 1 237 37 37 TRP CA C 55.160 0.00 1 238 37 37 TRP N N 120.993 0.11 1 239 38 38 ALA H H 7.919 0.01 1 240 38 38 ALA HA H 4.172 0.00 1 241 38 38 ALA HB H 1.309 0.01 1 242 38 38 ALA C C 174.416 0.00 1 243 38 38 ALA CA C 57.447 0.28 1 244 38 38 ALA CB C 17.094 0.06 1 245 38 38 ALA N N 118.538 0.07 1 246 39 39 PRO HA H 4.239 0.00 1 247 39 39 PRO HD2 H 3.894 0.00 2 248 39 39 PRO HD3 H 3.653 0.00 2 249 39 39 PRO C C 177.204 0.00 1 250 39 39 PRO CA C 65.618 0.05 1 251 39 39 PRO CB C 31.574 0.00 1 252 40 40 GLU H H 8.295 0.01 1 253 40 40 GLU HA H 4.599 0.01 1 254 40 40 GLU HB2 H 2.442 0.01 2 255 40 40 GLU HB3 H 1.952 0.01 2 256 40 40 GLU HG2 H 2.243 0.02 2 257 40 40 GLU HG3 H 2.243 0.02 2 258 40 40 GLU C C 174.706 0.01 1 259 40 40 GLU CA C 55.797 0.12 1 260 40 40 GLU CB C 31.765 0.08 1 261 40 40 GLU CG C 36.769 0.01 1 262 40 40 GLU N N 115.263 0.07 1 263 41 41 TYR H H 7.253 0.02 1 264 41 41 TYR HA H 2.983 0.01 1 265 41 41 TYR HB2 H 2.579 0.02 2 266 41 41 TYR HB3 H 1.901 0.02 2 267 41 41 TYR C C 175.638 0.00 1 268 41 41 TYR CA C 62.261 0.13 1 269 41 41 TYR CB C 38.789 0.16 1 270 41 41 TYR N N 122.764 0.12 1 271 42 42 ASP H H 8.899 0.00 1 272 42 42 ASP HA H 4.125 0.02 1 273 42 42 ASP HB2 H 2.606 0.02 2 274 42 42 ASP HB3 H 2.493 0.02 2 275 42 42 ASP C C 180.017 0.04 1 276 42 42 ASP CA C 57.713 0.04 1 277 42 42 ASP CB C 39.199 0.09 1 278 42 42 ASP N N 118.379 0.10 1 279 43 43 GLN H H 8.054 0.01 1 280 43 43 GLN HA H 4.076 0.00 1 281 43 43 GLN HB2 H 2.088 0.00 2 282 43 43 GLN HB3 H 2.088 0.00 2 283 43 43 GLN HG2 H 2.445 0.01 2 284 43 43 GLN HG3 H 2.445 0.01 2 285 43 43 GLN HE21 H 7.626 0.01 2 286 43 43 GLN HE22 H 6.853 0.01 2 287 43 43 GLN C C 178.685 0.02 1 288 43 43 GLN CA C 58.281 0.07 1 289 43 43 GLN CB C 28.319 0.03 1 290 43 43 GLN CG C 34.082 0.02 1 291 43 43 GLN CD C 180.522 0.00 1 292 43 43 GLN N N 118.599 0.09 1 293 43 43 GLN NE2 N 111.883 0.23 1 294 44 44 ASP H H 8.147 0.01 1 295 44 44 ASP HA H 4.479 0.00 1 296 44 44 ASP HB2 H 3.127 0.01 2 297 44 44 ASP HB3 H 2.648 0.01 2 298 44 44 ASP C C 178.579 0.09 1 299 44 44 ASP CA C 57.636 0.04 1 300 44 44 ASP CB C 39.989 0.12 1 301 44 44 ASP N N 124.002 0.10 1 302 45 45 VAL H H 8.788 0.01 1 303 45 45 VAL HA H 3.976 0.01 1 304 45 45 VAL HB H 1.831 0.02 1 305 45 45 VAL HG1 H 0.650 0.02 2 306 45 45 VAL HG2 H -0.031 0.02 2 307 45 45 VAL C C 178.866 0.05 1 308 45 45 VAL CA C 65.085 0.11 1 309 45 45 VAL CB C 29.374 0.00 1 310 45 45 VAL CG1 C 18.580 0.14 2 311 45 45 VAL CG2 C 20.435 0.08 2 312 45 45 VAL N N 113.285 0.11 1 313 46 46 ALA H H 7.535 0.01 1 314 46 46 ALA HA H 4.389 0.02 1 315 46 46 ALA HB H 1.515 0.01 1 316 46 46 ALA C C 182.579 0.01 1 317 46 46 ALA CA C 54.900 0.02 1 318 46 46 ALA CB C 17.492 0.02 1 319 46 46 ALA N N 123.654 0.14 1 320 47 47 ALA H H 7.451 0.02 1 321 47 47 ALA HA H 4.176 0.01 1 322 47 47 ALA HB H 1.588 0.01 1 323 47 47 ALA C C 177.464 0.00 1 324 47 47 ALA CA C 54.577 0.04 1 325 47 47 ALA CB C 17.614 0.03 1 326 47 47 ALA N N 123.836 0.11 1 327 48 48 LEU H H 7.333 0.01 1 328 48 48 LEU HA H 4.067 0.04 1 329 48 48 LEU HB2 H 1.985 0.02 2 330 48 48 LEU HB3 H 1.485 0.00 2 331 48 48 LEU HD1 H 0.814 0.00 2 332 48 48 LEU C C 174.661 0.00 1 333 48 48 LEU CA C 53.555 0.06 1 334 48 48 LEU CB C 43.552 0.09 1 335 48 48 LEU N N 115.737 0.17 1 336 49 49 LYS H H 7.754 0.02 1 337 49 49 LYS HA H 3.804 0.01 1 338 49 49 LYS C C 174.913 0.00 1 339 49 49 LYS CA C 56.647 0.16 1 340 49 49 LYS CB C 28.993 0.00 1 341 49 49 LYS N N 112.769 0.16 1 342 50 50 TYR H H 7.440 0.02 1 343 50 50 TYR HA H 4.788 0.00 1 344 50 50 TYR HB2 H 3.006 0.01 2 345 50 50 TYR HB3 H 2.681 0.02 2 346 50 50 TYR C C 176.669 0.00 1 347 50 50 TYR CA C 57.144 0.07 1 348 50 50 TYR CB C 39.832 0.23 1 349 50 50 TYR N N 116.646 0.09 1 350 51 51 ARG H H 7.019 0.00 1 351 51 51 ARG C C 174.946 0.00 1 352 52 52 ALA H H 5.976 0.06 1 353 52 52 ALA HA H 3.058 0.02 1 354 52 52 ALA HB H 0.199 0.04 1 355 52 52 ALA CA C 56.225 0.09 1 356 52 52 ALA CB C 16.661 0.21 1 357 52 52 ALA N N 120.581 0.14 1 358 53 53 PRO HD2 H 2.154 0.02 2 359 53 53 PRO HD3 H 2.553 0.01 2 360 53 53 PRO C C 177.133 0.00 1 361 53 53 PRO CA C 67.624 0.13 1 362 53 53 PRO CB C 30.573 0.00 1 363 53 53 PRO CD C 49.003 0.08 1 364 54 54 ARG H H 7.126 0.01 1 365 54 54 ARG HA H 3.558 0.01 1 366 54 54 ARG HB2 H 1.578 0.01 2 367 54 54 ARG HB3 H 1.578 0.01 2 368 54 54 ARG HG2 H 1.402 0.02 2 369 54 54 ARG HG3 H 1.402 0.02 2 370 54 54 ARG C C 178.017 0.08 1 371 54 54 ARG CA C 59.324 0.08 1 372 54 54 ARG CB C 29.684 0.00 1 373 54 54 ARG CG C 26.328 0.00 1 374 54 54 ARG N N 115.745 0.12 1 375 55 55 LEU H H 7.525 0.03 1 376 55 55 LEU HA H 3.958 0.00 1 377 55 55 LEU C C 180.026 0.05 1 378 55 55 LEU CA C 57.302 0.12 1 379 55 55 LEU CB C 42.145 0.00 1 380 55 55 LEU N N 117.822 0.25 1 381 56 56 ALA H H 8.823 0.03 1 382 56 56 ALA HA H 3.839 0.01 1 383 56 56 ALA HB H 1.297 0.01 1 384 56 56 ALA C C 178.523 0.01 1 385 56 56 ALA CA C 55.464 0.06 1 386 56 56 ALA CB C 19.056 0.11 1 387 56 56 ALA N N 122.640 0.19 1 388 57 57 VAL H H 7.750 0.01 1 389 57 57 VAL HA H 3.300 0.01 1 390 57 57 VAL HB H 1.988 0.01 1 391 57 57 VAL HG1 H 0.914 0.01 2 392 57 57 VAL HG2 H 0.732 0.02 2 393 57 57 VAL C C 178.178 0.06 1 394 57 57 VAL CA C 66.974 0.12 1 395 57 57 VAL CB C 30.605 0.03 1 396 57 57 VAL CG1 C 25.566 0.11 2 397 57 57 VAL N N 116.693 0.12 1 398 58 58 ASP H H 8.464 0.01 1 399 58 58 ASP HA H 4.228 0.01 1 400 58 58 ASP HB2 H 2.792 0.01 2 401 58 58 ASP HB3 H 2.594 0.01 2 402 58 58 ASP C C 177.323 0.00 1 403 58 58 ASP CA C 58.307 0.14 1 404 58 58 ASP CB C 40.945 0.09 1 405 58 58 ASP N N 123.558 0.14 1 406 59 59 CYS H H 7.315 0.01 1 407 59 59 CYS HA H 3.947 0.01 1 408 59 59 CYS HB2 H 3.004 0.01 2 409 59 59 CYS HB3 H 2.890 0.00 2 410 59 59 CYS C C 176.695 0.02 1 411 59 59 CYS CA C 62.488 0.14 1 412 59 59 CYS CB C 26.333 0.07 1 413 59 59 CYS N N 118.223 0.13 1 414 60 60 LEU H H 8.067 0.01 1 415 60 60 LEU HA H 3.902 0.02 1 416 60 60 LEU HB2 H 1.734 0.01 2 417 60 60 LEU HB3 H 1.440 0.01 2 418 60 60 LEU HG H 1.273 0.01 1 419 60 60 LEU HD1 H 0.712 0.01 2 420 60 60 LEU HD2 H 0.240 0.01 2 421 60 60 LEU C C 177.881 0.00 1 422 60 60 LEU CA C 58.736 0.19 1 423 60 60 LEU CB C 42.550 0.13 1 424 60 60 LEU CG C 26.993 0.00 1 425 60 60 LEU CD1 C 25.057 0.02 2 426 60 60 LEU CD2 C 25.216 0.10 2 427 60 60 LEU N N 119.139 0.13 1 428 61 61 SER H H 8.874 0.01 1 429 61 61 SER HA H 4.119 0.01 1 430 61 61 SER HB2 H 4.085 0.00 2 431 61 61 SER HB3 H 3.982 0.00 2 432 61 61 SER C C 176.535 0.00 1 433 61 61 SER CA C 62.392 0.07 1 434 61 61 SER CB C 63.208 0.07 1 435 61 61 SER N N 112.110 0.08 1 436 62 62 ARG H H 7.641 0.01 1 437 62 62 ARG HA H 4.156 0.01 1 438 62 62 ARG HB2 H 1.911 0.01 2 439 62 62 ARG HB3 H 1.911 0.01 2 440 62 62 ARG C C 177.164 0.02 1 441 62 62 ARG CA C 58.551 0.02 1 442 62 62 ARG CB C 30.278 0.00 1 443 62 62 ARG N N 119.233 0.06 1 444 63 63 ALA H H 7.183 0.01 1 445 63 63 ALA HA H 4.355 0.01 1 446 63 63 ALA HB H 1.362 0.01 1 447 63 63 ALA C C 176.988 0.01 1 448 63 63 ALA CA C 52.140 0.10 1 449 63 63 ALA CB C 21.259 0.24 1 450 63 63 ALA N N 119.346 0.11 1 451 64 64 PHE H H 7.737 0.01 1 452 64 64 PHE HA H 4.165 0.01 1 453 64 64 PHE HB2 H 3.241 0.02 2 454 64 64 PHE HB3 H 3.166 0.02 2 455 64 64 PHE HD1 H 7.208 0.01 3 456 64 64 PHE HD2 H 7.208 0.01 3 457 64 64 PHE HE1 H 7.036 0.01 3 458 64 64 PHE HE2 H 7.036 0.01 3 459 64 64 PHE C C 175.351 0.00 1 460 64 64 PHE CA C 60.103 0.12 1 461 64 64 PHE CB C 39.321 0.04 1 462 64 64 PHE CD1 C 128.957 0.02 3 463 64 64 PHE CD2 C 128.957 0.02 3 464 64 64 PHE N N 120.479 0.13 1 465 65 65 ARG H H 8.104 0.01 1 466 65 65 ARG HA H 4.419 0.01 1 467 65 65 ARG HB2 H 1.757 0.01 2 468 65 65 ARG HB3 H 1.541 0.01 2 469 65 65 ARG HG2 H 1.641 0.00 2 470 65 65 ARG HG3 H 1.641 0.00 2 471 65 65 ARG HD2 H 3.119 0.00 2 472 65 65 ARG HD3 H 3.119 0.00 2 473 65 65 ARG C C 175.452 0.02 1 474 65 65 ARG CA C 55.136 0.09 1 475 65 65 ARG CB C 30.647 0.09 1 476 65 65 ARG CD C 42.996 0.06 1 477 65 65 ARG N N 127.737 0.10 1 478 66 66 GLY H H 6.641 0.01 1 479 66 66 GLY HA2 H 3.959 0.01 2 480 66 66 GLY HA3 H 3.695 0.02 2 481 66 66 GLY C C 172.592 0.02 1 482 66 66 GLY CA C 43.770 0.07 1 483 66 66 GLY N N 107.940 0.07 1 484 67 67 SER H H 8.575 0.02 1 485 67 67 SER HA H 4.887 0.01 1 486 67 67 SER HB2 H 3.859 0.02 2 487 67 67 SER HB3 H 3.785 0.01 2 488 67 67 SER CA C 54.624 0.12 1 489 67 67 SER CB C 63.405 0.10 1 490 67 67 SER N N 115.759 0.15 1 491 68 68 PRO HA H 3.625 0.03 1 492 68 68 PRO HB2 H 1.000 0.02 2 493 68 68 PRO HB3 H 0.244 0.02 2 494 68 68 PRO HG2 H 1.745 0.01 2 495 68 68 PRO HG3 H 1.409 0.01 2 496 68 68 PRO HD2 H 4.265 0.01 2 497 68 68 PRO HD3 H 3.759 0.01 2 498 68 68 PRO C C 177.027 0.01 1 499 68 68 PRO CA C 65.360 0.11 1 500 68 68 PRO CB C 30.538 0.13 1 501 68 68 PRO CG C 27.450 0.09 1 502 68 68 PRO CD C 51.062 0.17 1 503 69 69 HIS H H 7.581 0.03 1 504 69 69 HIS HA H 4.275 0.01 1 505 69 69 HIS HB2 H 3.165 0.02 2 506 69 69 HIS HB3 H 3.083 0.01 2 507 69 69 HIS HD2 H 7.211 0.01 1 508 69 69 HIS C C 175.278 0.01 1 509 69 69 HIS CA C 58.610 0.09 1 510 69 69 HIS CB C 29.478 0.18 1 511 69 69 HIS N N 112.971 0.16 1 512 70 70 ASP H H 7.213 0.02 1 513 70 70 ASP HA H 4.729 0.02 1 514 70 70 ASP HB2 H 2.789 0.03 2 515 70 70 ASP HB3 H 2.467 0.02 2 516 70 70 ASP C C 175.352 0.06 1 517 70 70 ASP CA C 53.534 0.07 1 518 70 70 ASP CB C 42.144 0.07 1 519 70 70 ASP N N 115.557 0.17 1 520 71 71 ALA H H 7.136 0.01 1 521 71 71 ALA HA H 4.416 0.01 1 522 71 71 ALA HB H 1.492 0.01 1 523 71 71 ALA C C 175.656 0.02 1 524 71 71 ALA CA C 51.773 0.08 1 525 71 71 ALA CB C 21.044 0.06 1 526 71 71 ALA N N 123.440 0.09 1 527 72 72 LEU H H 9.985 0.01 1 528 72 72 LEU HA H 5.100 0.01 1 529 72 72 LEU HB2 H 1.951 0.01 2 530 72 72 LEU HB3 H 1.629 0.01 2 531 72 72 LEU HG H 1.714 0.01 1 532 72 72 LEU HD1 H 0.962 0.01 2 533 72 72 LEU HD2 H 0.712 0.01 2 534 72 72 LEU C C 176.245 0.00 1 535 72 72 LEU CA C 54.797 0.10 1 536 72 72 LEU CB C 43.827 0.07 1 537 72 72 LEU CG C 27.435 0.08 1 538 72 72 LEU CD1 C 23.481 0.07 2 539 72 72 LEU CD2 C 25.004 0.10 2 540 72 72 LEU N N 124.662 0.11 1 541 73 73 ILE H H 8.358 0.01 1 542 73 73 ILE HA H 5.221 0.01 1 543 73 73 ILE HB H 1.944 0.01 1 544 73 73 ILE HG12 H 1.556 0.01 2 545 73 73 ILE HG13 H 1.000 0.01 2 546 73 73 ILE HG2 H 0.549 0.01 1 547 73 73 ILE C C 173.948 0.02 1 548 73 73 ILE CA C 57.615 0.14 1 549 73 73 ILE CB C 38.941 0.10 1 550 73 73 ILE CG1 C 27.196 0.17 1 551 73 73 ILE CG2 C 17.310 0.16 1 552 73 73 ILE CD1 C 11.427 0.07 1 553 73 73 ILE N N 127.527 0.16 1 554 74 74 LEU H H 8.065 0.01 1 555 74 74 LEU HA H 4.517 0.01 1 556 74 74 LEU HB2 H 1.076 0.02 2 557 74 74 LEU HB3 H 1.076 0.02 2 558 74 74 LEU HG H 0.499 0.02 1 559 74 74 LEU HD1 H 0.975 0.02 2 560 74 74 LEU HD2 H 0.463 0.01 2 561 74 74 LEU C C 172.632 0.00 1 562 74 74 LEU CA C 53.077 0.10 1 563 74 74 LEU CB C 41.404 0.09 1 564 74 74 LEU CG C 27.179 0.12 1 565 74 74 LEU CD1 C 26.079 0.17 2 566 74 74 LEU CD2 C 21.322 0.07 2 567 74 74 LEU N N 127.533 0.09 1 568 75 75 ASP H H 9.101 0.01 1 569 75 75 ASP HA H 5.103 0.01 1 570 75 75 ASP HB2 H 3.066 0.01 2 571 75 75 ASP HB3 H 1.991 0.01 2 572 75 75 ASP C C 175.746 0.00 1 573 75 75 ASP CA C 52.496 0.12 1 574 75 75 ASP CB C 42.157 0.10 1 575 75 75 ASP N N 128.510 0.09 1 576 76 76 VAL H H 9.152 0.01 1 577 76 76 VAL HA H 3.590 0.01 1 578 76 76 VAL HB H 1.729 0.00 1 579 76 76 VAL HG1 H 0.704 0.01 2 580 76 76 VAL C C 175.725 0.03 1 581 76 76 VAL CA C 62.827 0.09 1 582 76 76 VAL CB C 31.654 0.06 1 583 76 76 VAL CG1 C 23.418 0.11 2 584 76 76 VAL N N 126.105 0.11 1 585 77 77 ALA H H 7.985 0.02 1 586 77 77 ALA HA H 4.326 0.01 1 587 77 77 ALA HB H 1.040 0.01 1 588 77 77 ALA C C 177.322 0.00 1 589 77 77 ALA CA C 53.644 0.16 1 590 77 77 ALA CB C 14.907 0.07 1 591 77 77 ALA N N 129.329 0.10 1 592 78 78 CYS H H 7.828 0.01 1 593 78 78 CYS C C 175.834 0.03 1 594 78 78 CYS CA C 57.190 0.04 1 595 78 78 CYS CB C 28.733 0.03 1 596 78 78 CYS N N 114.663 0.15 1 597 79 79 GLY H H 9.696 0.01 1 598 79 79 GLY HA2 H 3.696 0.00 2 599 79 79 GLY HA3 H 3.397 0.01 2 600 79 79 GLY C C 172.061 0.00 1 601 79 79 GLY CA C 49.908 0.30 1 602 79 79 GLY N N 120.307 0.10 1 603 80 80 THR H H 7.120 0.01 1 604 80 80 THR HA H 4.176 0.01 1 605 80 80 THR HB H 4.621 0.02 1 606 80 80 THR HG2 H 1.221 0.01 1 607 80 80 THR C C 176.312 0.00 1 608 80 80 THR CA C 61.491 0.03 1 609 80 80 THR CB C 69.267 0.15 1 610 80 80 THR N N 111.777 0.10 1 611 81 81 GLY H H 8.859 0.01 1 612 81 81 GLY HA2 H 5.158 0.01 2 613 81 81 GLY HA3 H 4.321 0.02 2 614 81 81 GLY C C 175.853 0.00 1 615 81 81 GLY CA C 47.023 0.14 1 616 81 81 GLY N N 111.107 0.09 1 617 82 82 LEU H H 9.006 0.01 1 618 82 82 LEU HA H 3.909 0.01 1 619 82 82 LEU C C 181.019 0.01 1 620 82 82 LEU CA C 58.559 0.10 1 621 82 82 LEU CB C 41.098 0.00 1 622 82 82 LEU N N 120.690 0.09 1 623 83 83 VAL H H 9.269 0.01 1 624 83 83 VAL HA H 3.361 0.01 1 625 83 83 VAL HB H 2.541 0.01 1 626 83 83 VAL HG1 H 0.823 0.01 2 627 83 83 VAL HG2 H 0.582 0.01 2 628 83 83 VAL C C 178.026 0.03 1 629 83 83 VAL CA C 66.448 0.10 1 630 83 83 VAL CB C 29.837 0.12 1 631 83 83 VAL CG1 C 24.269 0.08 2 632 83 83 VAL CG2 C 21.369 0.09 2 633 83 83 VAL N N 117.907 0.10 1 634 84 84 ALA H H 6.706 0.01 1 635 84 84 ALA HA H 3.817 0.01 1 636 84 84 ALA HB H 0.940 0.01 1 637 84 84 ALA C C 178.959 0.02 1 638 84 84 ALA CA C 55.544 0.13 1 639 84 84 ALA CB C 18.465 0.17 1 640 84 84 ALA N N 121.503 0.06 1 641 85 85 VAL H H 7.372 0.01 1 642 85 85 VAL HA H 3.329 0.01 1 643 85 85 VAL HB H 2.209 0.01 1 644 85 85 VAL HG1 H 0.978 0.01 2 645 85 85 VAL HG2 H 0.831 0.01 2 646 85 85 VAL C C 178.973 0.27 1 647 85 85 VAL CA C 66.327 0.08 1 648 85 85 VAL CB C 31.913 0.05 1 649 85 85 VAL CG1 C 22.083 0.11 2 650 85 85 VAL CG2 C 20.634 0.08 2 651 85 85 VAL N N 118.289 0.14 1 652 86 86 GLU H H 6.792 0.01 1 653 86 86 GLU HA H 4.067 0.00 1 654 86 86 GLU HB2 H 1.932 0.01 2 655 86 86 GLU HB3 H 1.932 0.01 2 656 86 86 GLU HG2 H 2.302 0.02 2 657 86 86 GLU HG3 H 2.195 0.01 2 658 86 86 GLU C C 179.449 0.00 1 659 86 86 GLU CA C 57.358 0.04 1 660 86 86 GLU CG C 33.871 0.02 1 661 86 86 GLU N N 117.014 0.10 1 662 87 87 LEU H H 8.705 0.01 1 663 87 87 LEU HA H 3.869 0.02 1 664 87 87 LEU HB2 H 1.868 0.01 2 665 87 87 LEU HB3 H 1.574 0.02 2 666 87 87 LEU HD1 H 0.525 0.01 2 667 87 87 LEU HD2 H 0.238 0.01 2 668 87 87 LEU C C 179.203 0.00 1 669 87 87 LEU CA C 58.062 0.10 1 670 87 87 LEU CB C 40.674 0.10 1 671 87 87 LEU CD1 C 27.531 0.11 2 672 87 87 LEU CD2 C 23.599 0.03 2 673 87 87 LEU N N 121.065 0.06 1 674 88 88 GLN H H 8.577 0.01 1 675 88 88 GLN HA H 3.830 0.01 1 676 88 88 GLN HB2 H 2.151 0.01 2 677 88 88 GLN HB3 H 2.067 0.01 2 678 88 88 GLN HG2 H 2.400 0.01 2 679 88 88 GLN HG3 H 2.310 0.01 2 680 88 88 GLN C C 179.644 0.01 1 681 88 88 GLN CA C 59.737 0.06 1 682 88 88 GLN CB C 26.573 0.06 1 683 88 88 GLN CG C 33.372 0.25 1 684 88 88 GLN N N 121.008 0.15 1 685 89 89 ALA H H 7.312 0.01 1 686 89 89 ALA HA H 4.115 0.01 1 687 89 89 ALA HB H 1.515 0.01 1 688 89 89 ALA C C 178.627 0.00 1 689 89 89 ALA CA C 54.201 0.24 1 690 89 89 ALA CB C 17.864 0.08 1 691 89 89 ALA N N 121.457 0.10 1 692 90 90 ARG H H 7.281 0.01 1 693 90 90 ARG HA H 4.479 0.01 1 694 90 90 ARG HB2 H 2.379 0.01 2 695 90 90 ARG HG2 H 1.687 0.01 2 696 90 90 ARG HG3 H 1.687 0.01 2 697 90 90 ARG HD2 H 3.204 0.00 2 698 90 90 ARG HD3 H 3.083 0.00 2 699 90 90 ARG C C 175.305 0.02 1 700 90 90 ARG CA C 53.722 0.08 1 701 90 90 ARG CB C 29.577 0.08 1 702 90 90 ARG CG C 26.708 0.00 1 703 90 90 ARG N N 115.064 0.11 1 704 91 91 GLY H H 7.607 0.01 1 705 91 91 GLY HA2 H 4.016 0.02 2 706 91 91 GLY HA3 H 3.445 0.02 2 707 91 91 GLY C C 173.446 0.01 1 708 91 91 GLY CA C 44.997 0.14 1 709 91 91 GLY N N 105.779 0.10 1 710 92 92 PHE H H 7.778 0.01 1 711 92 92 PHE HA H 4.290 0.01 1 712 92 92 PHE HB2 H 2.671 0.02 2 713 92 92 PHE HB3 H 2.671 0.02 2 714 92 92 PHE HD1 H 7.064 0.01 3 715 92 92 PHE HD2 H 7.064 0.01 3 716 92 92 PHE HE1 H 6.327 0.01 3 717 92 92 PHE HE2 H 6.327 0.01 3 718 92 92 PHE HZ H 6.625 0.00 1 719 92 92 PHE C C 174.196 0.01 1 720 92 92 PHE CA C 57.289 0.06 1 721 92 92 PHE CB C 37.316 0.08 1 722 92 92 PHE CD1 C 129.429 0.07 3 723 92 92 PHE CD2 C 129.429 0.07 3 724 92 92 PHE CE1 C 126.924 0.09 3 725 92 92 PHE CE2 C 126.924 0.09 3 726 92 92 PHE CZ C 125.571 0.00 1 727 92 92 PHE N N 119.693 0.11 1 728 93 93 LEU H H 6.600 0.02 1 729 93 93 LEU HA H 4.311 0.01 1 730 93 93 LEU HB2 H 1.672 0.01 2 731 93 93 LEU HB3 H 1.672 0.01 2 732 93 93 LEU C C 177.843 0.07 1 733 93 93 LEU CA C 55.263 0.10 1 734 93 93 LEU CB C 43.055 0.00 1 735 93 93 LEU N N 119.637 0.12 1 736 94 94 GLN H H 9.380 0.02 1 737 94 94 GLN HA H 4.446 0.01 1 738 94 94 GLN HB2 H 2.790 0.01 2 739 94 94 GLN HB3 H 1.978 0.01 2 740 94 94 GLN HG2 H 2.283 0.01 2 741 94 94 GLN HG3 H 2.034 0.02 2 742 94 94 GLN HE21 H 7.106 0.01 2 743 94 94 GLN HE22 H 6.654 0.01 2 744 94 94 GLN C C 172.637 0.01 1 745 94 94 GLN CA C 55.104 0.03 1 746 94 94 GLN CB C 28.151 0.09 1 747 94 94 GLN CG C 33.813 0.07 1 748 94 94 GLN CD C 180.641 0.01 1 749 94 94 GLN N N 122.928 0.10 1 750 94 94 GLN NE2 N 109.877 0.17 1 751 95 95 VAL H H 8.682 0.01 1 752 95 95 VAL HA H 5.087 0.01 1 753 95 95 VAL HB H 1.684 0.01 1 754 95 95 VAL HG1 H 0.772 0.01 2 755 95 95 VAL HG2 H 0.667 0.01 2 756 95 95 VAL C C 174.698 0.01 1 757 95 95 VAL CA C 59.788 0.12 1 758 95 95 VAL CB C 34.902 0.10 1 759 95 95 VAL CG1 C 22.451 0.08 2 760 95 95 VAL CG2 C 21.774 0.11 2 761 95 95 VAL N N 123.694 0.14 1 762 96 96 GLN H H 9.374 0.01 1 763 96 96 GLN HA H 5.432 0.01 1 764 96 96 GLN HB2 H 2.279 0.00 2 765 96 96 GLN HB3 H 2.027 0.01 2 766 96 96 GLN HG2 H 2.648 0.01 2 767 96 96 GLN HG3 H 2.310 0.01 2 768 96 96 GLN HE21 H 7.970 0.03 2 769 96 96 GLN HE22 H 7.138 0.01 2 770 96 96 GLN C C 174.606 0.00 1 771 96 96 GLN CA C 54.123 0.03 1 772 96 96 GLN CB C 30.658 0.29 1 773 96 96 GLN CG C 35.065 0.11 1 774 96 96 GLN CD C 177.803 0.01 1 775 96 96 GLN N N 126.294 0.11 1 776 96 96 GLN NE2 N 111.825 0.28 1 777 97 97 GLY H H 8.549 0.01 1 778 97 97 GLY HA2 H 5.647 0.01 2 779 97 97 GLY HA3 H 3.261 0.01 2 780 97 97 GLY C C 173.266 0.00 1 781 97 97 GLY CA C 44.679 0.13 1 782 97 97 GLY N N 107.849 0.11 1 783 98 98 VAL H H 7.777 0.01 1 784 98 98 VAL HA H 5.723 0.01 1 785 98 98 VAL HB H 2.035 0.01 1 786 98 98 VAL HG1 H 0.916 0.02 2 787 98 98 VAL HG2 H 0.853 0.00 2 788 98 98 VAL C C 174.362 0.05 1 789 98 98 VAL CA C 58.213 0.11 1 790 98 98 VAL CB C 35.852 0.12 1 791 98 98 VAL CG1 C 21.566 0.00 2 792 98 98 VAL N N 114.952 0.11 1 793 99 99 ASP H H 8.602 0.01 1 794 99 99 ASP HA H 4.782 0.01 1 795 99 99 ASP HB2 H 3.177 0.01 2 796 99 99 ASP HB3 H 2.262 0.01 2 797 99 99 ASP C C 173.374 0.02 1 798 99 99 ASP CA C 54.863 0.08 1 799 99 99 ASP CB C 47.762 0.15 1 800 99 99 ASP N N 125.732 0.13 1 801 100 100 GLY H H 8.201 0.00 1 802 100 100 GLY HA2 H 4.124 0.00 2 803 100 100 GLY HA3 H 2.763 0.01 2 804 100 100 GLY C C 172.405 0.00 1 805 100 100 GLY CA C 45.425 0.19 1 806 100 100 GLY N N 112.069 0.15 1 807 101 101 SER H H 9.953 0.01 1 808 101 101 SER HA H 5.115 0.01 1 809 101 101 SER HB2 H 3.760 0.01 2 810 101 101 SER HB3 H 3.711 0.00 2 811 101 101 SER CA C 52.961 0.13 1 812 101 101 SER CB C 62.613 0.12 1 813 101 101 SER N N 119.648 0.09 1 814 102 102 PRO HA H 4.761 0.01 1 815 102 102 PRO HB3 H 0.803 0.03 2 816 102 102 PRO HG2 H 2.173 0.02 2 817 102 102 PRO HG3 H 2.021 0.01 2 818 102 102 PRO HD2 H 3.966 0.01 2 819 102 102 PRO HD3 H 3.966 0.01 2 820 102 102 PRO C C 180.254 0.00 1 821 102 102 PRO CA C 64.508 0.04 1 822 102 102 PRO CB C 32.436 0.05 1 823 102 102 PRO CG C 27.229 0.28 1 824 102 102 PRO CD C 51.344 0.13 1 825 103 103 GLU H H 7.857 0.01 1 826 103 103 GLU C C 180.653 0.05 1 827 103 103 GLU CA C 58.096 0.00 1 828 103 103 GLU N N 115.264 0.12 1 829 104 104 MET H H 8.241 0.01 1 830 104 104 MET HA H 3.874 0.01 1 831 104 104 MET C C 178.420 0.00 1 832 104 104 MET CA C 58.174 0.01 1 833 104 104 MET N N 122.813 0.12 1 834 105 105 LEU H H 7.698 0.01 1 835 105 105 LEU HA H 3.699 0.01 1 836 105 105 LEU HB2 H 1.716 0.01 2 837 105 105 LEU HB3 H 1.275 0.01 2 838 105 105 LEU HG H 1.571 0.01 1 839 105 105 LEU HD1 H 0.583 0.01 2 840 105 105 LEU HD2 H 0.464 0.01 2 841 105 105 LEU C C 179.111 0.03 1 842 105 105 LEU CA C 57.434 0.09 1 843 105 105 LEU CB C 41.793 0.13 1 844 105 105 LEU CG C 26.395 0.11 1 845 105 105 LEU CD1 C 25.854 0.08 2 846 105 105 LEU CD2 C 24.729 0.00 2 847 105 105 LEU N N 116.802 0.12 1 848 106 106 LYS H H 7.497 0.02 1 849 106 106 LYS HA H 3.834 0.01 1 850 106 106 LYS HB2 H 1.898 0.01 2 851 106 106 LYS HB3 H 1.898 0.01 2 852 106 106 LYS HG2 H 1.584 0.01 2 853 106 106 LYS HG3 H 1.309 0.01 2 854 106 106 LYS HD2 H 1.663 0.01 2 855 106 106 LYS HD3 H 1.636 0.00 2 856 106 106 LYS HE2 H 2.894 0.01 2 857 106 106 LYS HE3 H 2.731 0.01 2 858 106 106 LYS C C 180.261 0.04 1 859 106 106 LYS CA C 60.066 0.07 1 860 106 106 LYS CB C 32.536 0.14 1 861 106 106 LYS CG C 25.329 0.19 1 862 106 106 LYS CD C 29.528 0.12 1 863 106 106 LYS CE C 41.580 0.12 1 864 106 106 LYS N N 118.381 0.11 1 865 107 107 GLN H H 7.313 0.01 1 866 107 107 GLN HA H 4.006 0.02 1 867 107 107 GLN C C 178.743 0.03 1 868 107 107 GLN CA C 57.439 0.06 1 869 107 107 GLN CB C 26.527 0.00 1 870 107 107 GLN N N 118.387 0.13 1 871 108 108 ALA H H 8.115 0.02 1 872 108 108 ALA HA H 4.164 0.01 1 873 108 108 ALA HB H 1.373 0.01 1 874 108 108 ALA C C 181.864 0.02 1 875 108 108 ALA CA C 55.406 0.05 1 876 108 108 ALA CB C 16.957 0.17 1 877 108 108 ALA N N 123.949 0.13 1 878 109 109 ARG H H 8.840 0.01 1 879 109 109 ARG HA H 3.727 0.01 1 880 109 109 ARG HB2 H 1.794 0.01 2 881 109 109 ARG HB3 H 1.794 0.01 2 882 109 109 ARG C C 178.517 0.02 1 883 109 109 ARG CA C 59.373 0.04 1 884 109 109 ARG CB C 29.895 0.01 1 885 109 109 ARG N N 121.255 0.11 1 886 110 110 ALA H H 7.451 0.01 1 887 110 110 ALA HA H 4.112 0.00 1 888 110 110 ALA HB H 1.508 0.01 1 889 110 110 ALA C C 178.673 0.01 1 890 110 110 ALA CA C 53.979 0.09 1 891 110 110 ALA CB C 17.938 0.09 1 892 110 110 ALA N N 120.809 0.09 1 893 111 111 ARG H H 7.437 0.01 1 894 111 111 ARG HA H 4.102 0.01 1 895 111 111 ARG HB2 H 1.878 0.00 2 896 111 111 ARG HB3 H 1.878 0.00 2 897 111 111 ARG C C 178.243 0.01 1 898 111 111 ARG CA C 57.926 0.02 1 899 111 111 ARG CB C 31.027 0.09 1 900 111 111 ARG N N 114.922 0.08 1 901 112 112 GLY H H 7.516 0.01 1 902 112 112 GLY HA2 H 3.958 0.01 2 903 112 112 GLY HA3 H 3.958 0.01 2 904 112 112 GLY C C 173.993 0.04 1 905 112 112 GLY CA C 46.798 0.05 1 906 112 112 GLY N N 104.602 0.15 1 907 113 113 LEU H H 7.351 0.01 1 908 113 113 LEU HA H 4.392 0.01 1 909 113 113 LEU HB2 H 1.172 0.02 2 910 113 113 LEU HB3 H 1.044 0.01 2 911 113 113 LEU HG H 1.388 0.01 1 912 113 113 LEU HD1 H 0.673 0.02 2 913 113 113 LEU C C 176.700 0.00 1 914 113 113 LEU CA C 54.769 0.05 1 915 113 113 LEU CB C 45.329 0.07 1 916 113 113 LEU CG C 26.585 0.00 1 917 113 113 LEU CD1 C 25.814 0.21 2 918 113 113 LEU CD2 C 25.814 0.21 2 919 113 113 LEU N N 116.466 0.08 1 920 114 114 TYR H H 8.642 0.01 1 921 114 114 TYR HA H 4.618 0.00 1 922 114 114 TYR HB2 H 2.773 0.01 2 923 114 114 TYR HB3 H 2.773 0.01 2 924 114 114 TYR C C 177.069 0.03 1 925 114 114 TYR CA C 58.192 0.10 1 926 114 114 TYR CB C 39.051 0.12 1 927 114 114 TYR N N 117.199 0.15 1 928 115 115 HIS H H 9.222 0.01 1 929 115 115 HIS HA H 4.612 0.01 1 930 115 115 HIS HB2 H 3.352 0.01 2 931 115 115 HIS HB3 H 3.098 0.02 2 932 115 115 HIS HD2 H 7.132 0.01 1 933 115 115 HIS C C 175.149 0.06 1 934 115 115 HIS CA C 57.573 0.15 1 935 115 115 HIS CB C 30.842 0.13 1 936 115 115 HIS N N 122.478 0.17 1 937 116 116 HIS H H 7.193 0.01 1 938 116 116 HIS HA H 4.624 0.01 1 939 116 116 HIS HB2 H 3.130 0.02 2 940 116 116 HIS HB3 H 2.775 0.02 2 941 116 116 HIS HD2 H 7.134 0.00 1 942 116 116 HIS C C 172.738 0.01 1 943 116 116 HIS CA C 56.933 0.10 1 944 116 116 HIS CB C 32.912 0.22 1 945 116 116 HIS N N 114.379 0.18 1 946 117 117 LEU H H 7.817 0.02 1 947 117 117 LEU HA H 5.190 0.01 1 948 117 117 LEU HB2 H 1.412 0.02 2 949 117 117 LEU HB3 H 0.964 0.03 2 950 117 117 LEU HG H 1.227 0.02 1 951 117 117 LEU HD1 H 0.601 0.01 2 952 117 117 LEU HD2 H 0.105 0.01 2 953 117 117 LEU C C 175.454 0.00 1 954 117 117 LEU CA C 53.362 0.06 1 955 117 117 LEU CB C 46.691 0.15 1 956 117 117 LEU CG C 26.806 0.01 1 957 117 117 LEU CD1 C 25.778 0.14 2 958 117 117 LEU CD2 C 23.863 0.05 2 959 117 117 LEU N N 127.159 0.15 1 960 118 118 SER H H 7.852 0.01 1 961 118 118 SER HA H 4.610 0.01 1 962 118 118 SER HB2 H 3.811 0.01 2 963 118 118 SER HB3 H 3.656 0.01 2 964 118 118 SER C C 171.020 0.05 1 965 118 118 SER CA C 57.231 0.11 1 966 118 118 SER CB C 65.718 0.09 1 967 118 118 SER N N 114.275 0.09 1 968 119 119 LEU H H 8.265 0.01 1 969 119 119 LEU HA H 5.176 0.01 1 970 119 119 LEU HB2 H 1.681 0.02 2 971 119 119 LEU HB3 H 1.298 0.01 2 972 119 119 LEU HG H 1.480 0.01 1 973 119 119 LEU HD1 H 0.764 0.01 2 974 119 119 LEU C C 177.385 0.00 1 975 119 119 LEU CA C 53.454 0.11 1 976 119 119 LEU CB C 42.713 0.13 1 977 119 119 LEU CG C 26.833 0.04 1 978 119 119 LEU CD1 C 24.896 0.09 2 979 119 119 LEU N N 125.423 0.09 1 980 120 120 CYS H H 8.101 0.01 1 981 120 120 CYS HA H 4.369 0.01 1 982 120 120 CYS HB2 H 2.747 0.01 2 983 120 120 CYS HB3 H 2.229 0.02 2 984 120 120 CYS C C 172.652 0.02 1 985 120 120 CYS CA C 58.948 0.15 1 986 120 120 CYS CB C 29.180 0.16 1 987 120 120 CYS N N 128.433 0.14 1 988 121 121 THR H H 9.059 0.01 1 989 121 121 THR HA H 4.563 0.01 1 990 121 121 THR HB H 4.021 0.01 1 991 121 121 THR HG2 H 1.021 0.01 1 992 121 121 THR CA C 61.000 0.05 1 993 121 121 THR CB C 67.768 0.17 1 994 121 121 THR CG2 C 23.127 0.02 1 995 121 121 THR N N 125.142 0.10 1 996 122 122 LEU H H 8.030 0.01 1 997 122 122 LEU HA H 4.412 0.01 1 998 122 122 LEU HB2 H 1.773 0.01 2 999 122 122 LEU HB3 H 1.407 0.01 2 1000 122 122 LEU HG H 1.689 0.00 1 1001 122 122 LEU HD1 H 0.812 0.00 2 1002 122 122 LEU HD2 H 0.734 0.00 2 1003 122 122 LEU C C 178.738 0.00 1 1004 122 122 LEU CA C 57.050 0.20 1 1005 122 122 LEU CB C 41.453 0.03 1 1006 122 122 LEU CD1 C 24.866 0.00 2 1007 122 122 LEU N N 119.478 0.00 1 1008 123 123 GLY H H 9.828 0.03 1 1009 123 123 GLY HA2 H 4.609 0.01 2 1010 123 123 GLY HA3 H 3.499 0.01 2 1011 123 123 GLY C C 174.249 0.00 1 1012 123 123 GLY CA C 44.789 0.14 1 1013 123 123 GLY N N 111.193 0.09 1 1014 124 124 GLN H H 7.614 0.01 1 1015 124 124 GLN HA H 4.459 0.01 1 1016 124 124 GLN HB2 H 2.209 0.01 2 1017 124 124 GLN HB3 H 1.933 0.01 2 1018 124 124 GLN C C 174.626 0.00 1 1019 124 124 GLN CA C 55.952 0.13 1 1020 124 124 GLN CB C 30.632 0.18 1 1021 124 124 GLN N N 117.104 0.08 1 1022 125 125 GLU H H 8.022 0.01 1 1023 125 125 GLU HA H 4.755 0.01 1 1024 125 125 GLU HB2 H 2.086 0.00 2 1025 125 125 GLU HB3 H 2.023 0.00 2 1026 125 125 GLU HG2 H 2.203 0.01 2 1027 125 125 GLU HG3 H 2.203 0.01 2 1028 125 125 GLU C C 172.149 0.00 1 1029 125 125 GLU CA C 53.002 0.04 1 1030 125 125 GLU CB C 30.706 0.08 1 1031 125 125 GLU CG C 35.869 0.00 1 1032 125 125 GLU N N 119.410 0.07 1 1033 126 126 PRO HA H 4.313 0.01 1 1034 126 126 PRO HB2 H 2.093 0.00 2 1035 126 126 PRO HB3 H 2.093 0.00 2 1036 126 126 PRO C C 176.897 0.04 1 1037 126 126 PRO CA C 61.665 0.13 1 1038 126 126 PRO CB C 31.790 0.00 1 1039 127 127 LEU H H 9.030 0.01 1 1040 127 127 LEU HA H 4.526 0.01 1 1041 127 127 LEU C C 177.533 0.00 1 1042 127 127 LEU CA C 53.528 0.04 1 1043 127 127 LEU N N 119.977 0.09 1 1044 128 128 PRO HA H 4.301 0.01 1 1045 128 128 PRO HD2 H 3.766 0.01 2 1046 128 128 PRO HD3 H 3.766 0.01 2 1047 128 128 PRO C C 176.606 0.03 1 1048 128 128 PRO CA C 63.656 0.05 1 1049 128 128 PRO CB C 31.815 0.00 1 1050 128 128 PRO CD C 49.966 0.07 1 1051 129 129 ASP H H 7.102 0.01 1 1052 129 129 ASP HA H 4.823 0.01 1 1053 129 129 ASP HB2 H 2.623 0.01 2 1054 129 129 ASP HB3 H 2.294 0.01 2 1055 129 129 ASP C C 172.439 0.00 1 1056 129 129 ASP CA C 53.753 0.17 1 1057 129 129 ASP CB C 42.151 0.15 1 1058 129 129 ASP N N 118.039 0.15 1 1059 130 130 PRO HA H 4.412 0.01 1 1060 130 130 PRO HB2 H 2.317 0.01 2 1061 130 130 PRO HB3 H 1.689 0.02 2 1062 130 130 PRO HD2 H 3.858 0.01 2 1063 130 130 PRO HD3 H 3.569 0.02 2 1064 130 130 PRO C C 176.424 0.00 1 1065 130 130 PRO CA C 61.675 0.09 1 1066 130 130 PRO CB C 32.255 0.14 1 1067 130 130 PRO CD C 50.688 0.09 1 1068 131 131 GLU H H 8.317 0.01 1 1069 131 131 GLU HA H 3.968 0.01 1 1070 131 131 GLU HB2 H 1.979 0.02 2 1071 131 131 GLU HB3 H 1.816 0.01 2 1072 131 131 GLU HG2 H 2.436 0.01 2 1073 131 131 GLU HG3 H 2.178 0.01 2 1074 131 131 GLU C C 177.714 0.01 1 1075 131 131 GLU CA C 55.918 0.06 1 1076 131 131 GLU CB C 29.493 0.02 1 1077 131 131 GLU CG C 35.036 0.06 1 1078 131 131 GLU N N 121.834 0.08 1 1079 132 132 GLY H H 8.411 0.01 1 1080 132 132 GLY HA2 H 3.756 0.01 2 1081 132 132 GLY HA3 H 3.581 0.01 2 1082 132 132 GLY C C 173.526 0.00 1 1083 132 132 GLY CA C 46.958 0.16 1 1084 132 132 GLY N N 109.005 0.13 1 1085 133 133 THR H H 7.183 0.01 1 1086 133 133 THR HA H 3.415 0.01 1 1087 133 133 THR HB H 3.698 0.01 1 1088 133 133 THR HG2 H 0.042 0.01 1 1089 133 133 THR C C 173.978 0.07 1 1090 133 133 THR CA C 66.065 0.12 1 1091 133 133 THR CB C 70.477 0.19 1 1092 133 133 THR CG2 C 20.355 0.02 1 1093 133 133 THR N N 116.057 0.14 1 1094 134 134 PHE H H 8.530 0.01 1 1095 134 134 PHE HA H 4.454 0.01 1 1096 134 134 PHE HB2 H 3.400 0.00 2 1097 134 134 PHE HB3 H 2.425 0.00 2 1098 134 134 PHE HD1 H 7.025 0.00 3 1099 134 134 PHE HD2 H 7.025 0.00 3 1100 134 134 PHE C C 176.120 0.01 1 1101 134 134 PHE CA C 60.047 0.07 1 1102 134 134 PHE CB C 40.889 0.02 1 1103 134 134 PHE N N 116.184 0.14 1 1104 135 135 ASP H H 9.415 0.01 1 1105 135 135 ASP HA H 4.539 0.00 1 1106 135 135 ASP HB2 H 2.982 0.01 2 1107 135 135 ASP HB3 H 2.606 0.01 2 1108 135 135 ASP C C 175.812 0.05 1 1109 135 135 ASP CA C 58.115 0.06 1 1110 135 135 ASP CB C 42.607 0.11 1 1111 135 135 ASP N N 123.650 0.15 1 1112 136 136 ALA H H 7.754 0.01 1 1113 136 136 ALA HA H 5.809 0.01 1 1114 136 136 ALA HB H 1.238 0.01 1 1115 136 136 ALA C C 174.206 0.02 1 1116 136 136 ALA CA C 50.775 0.13 1 1117 136 136 ALA CB C 22.266 0.12 1 1118 136 136 ALA N N 113.760 0.07 1 1119 137 137 VAL H H 8.788 0.01 1 1120 137 137 VAL HA H 4.858 0.01 1 1121 137 137 VAL HB H 1.853 0.02 1 1122 137 137 VAL HG1 H 0.955 0.01 2 1123 137 137 VAL HG2 H 0.788 0.02 2 1124 137 137 VAL C C 172.852 0.02 1 1125 137 137 VAL CA C 60.558 0.05 1 1126 137 137 VAL CB C 35.068 0.05 1 1127 137 137 VAL CG1 C 23.269 0.21 2 1128 137 137 VAL CG2 C 22.002 0.06 2 1129 137 137 VAL N N 121.441 0.11 1 1130 138 138 ILE H H 9.152 0.01 1 1131 138 138 ILE HA H 5.664 0.01 1 1132 138 138 ILE HB H 1.250 0.01 1 1133 138 138 ILE HG12 H 1.442 0.01 2 1134 138 138 ILE HG13 H 0.920 0.00 2 1135 138 138 ILE HG2 H 0.830 0.01 1 1136 138 138 ILE HD1 H 0.540 0.01 1 1137 138 138 ILE C C 171.034 0.05 1 1138 138 138 ILE CA C 57.668 0.05 1 1139 138 138 ILE CB C 42.666 0.11 1 1140 138 138 ILE CG1 C 29.264 0.02 1 1141 138 138 ILE CG2 C 14.773 0.06 1 1142 138 138 ILE CD1 C 14.822 0.14 1 1143 138 138 ILE N N 126.023 0.07 1 1144 139 139 ILE H H 8.279 0.02 1 1145 139 139 ILE HA H 5.056 0.02 1 1146 139 139 ILE HB H 1.540 0.01 1 1147 139 139 ILE HG2 H 1.231 0.01 1 1148 139 139 ILE C C 174.622 0.00 1 1149 139 139 ILE CA C 58.255 0.13 1 1150 139 139 ILE CB C 41.022 0.01 1 1151 139 139 ILE CG2 C 15.969 0.07 1 1152 139 139 ILE N N 122.187 0.09 1 1153 140 140 VAL H H 9.724 0.01 1 1154 140 140 VAL HA H 4.642 0.01 1 1155 140 140 VAL HB H 1.902 0.01 1 1156 140 140 VAL HG1 H 0.703 0.01 2 1157 140 140 VAL C C 175.710 0.00 1 1158 140 140 VAL CA C 60.685 0.09 1 1159 140 140 VAL CB C 33.283 0.14 1 1160 140 140 VAL CG1 C 22.353 0.14 2 1161 140 140 VAL N N 131.881 0.21 1 1162 141 141 GLY H H 7.465 0.03 1 1163 141 141 GLY HA2 H 4.528 0.02 2 1164 141 141 GLY HA3 H 4.042 0.01 2 1165 141 141 GLY C C 175.560 0.00 1 1166 141 141 GLY CA C 46.760 0.11 1 1167 141 141 GLY N N 114.097 0.10 1 1168 142 142 ALA HA H 4.516 0.01 1 1169 142 142 ALA HB H 1.036 0.03 1 1170 142 142 ALA C C 175.036 0.00 1 1171 142 142 ALA CA C 51.650 0.07 1 1172 142 142 ALA CB C 23.676 0.14 1 1173 143 143 LEU H H 7.636 0.01 1 1174 143 143 LEU HA H 4.836 0.01 1 1175 143 143 LEU HB2 H 2.432 0.02 2 1176 143 143 LEU HB3 H 1.905 0.04 2 1177 143 143 LEU HG H 1.169 0.01 1 1178 143 143 LEU HD1 H 1.739 0.01 2 1179 143 143 LEU HD2 H 0.836 0.01 2 1180 143 143 LEU C C 175.065 0.07 1 1181 143 143 LEU CA C 54.268 0.11 1 1182 143 143 LEU CB C 38.757 0.10 1 1183 143 143 LEU CG C 28.028 0.10 1 1184 143 143 LEU CD1 C 26.228 0.05 2 1185 143 143 LEU CD2 C 23.163 0.00 2 1186 143 143 LEU N N 120.106 0.16 1 1187 144 144 SER H H 7.347 0.01 1 1188 144 144 SER HA H 2.909 0.04 1 1189 144 144 SER HB2 H 3.707 0.01 2 1190 144 144 SER HB3 H 3.582 0.02 2 1191 144 144 SER C C 172.849 0.01 1 1192 144 144 SER CA C 57.345 0.13 1 1193 144 144 SER CB C 62.858 0.08 1 1194 144 144 SER N N 121.230 0.16 1 1195 145 145 GLU H H 8.168 0.01 1 1196 145 145 GLU C C 177.531 0.00 1 1197 145 145 GLU CA C 58.419 0.13 1 1198 145 145 GLU N N 121.041 0.16 1 1199 147 147 GLN C C 176.319 0.00 1 1200 147 147 GLN CA C 55.564 0.01 1 1201 148 148 VAL H H 8.292 0.01 1 1202 148 148 VAL HA H 4.362 0.01 1 1203 148 148 VAL HB H 1.960 0.01 1 1204 148 148 VAL HG1 H 0.089 0.01 2 1205 148 148 VAL HG2 H 0.642 0.01 2 1206 148 148 VAL C C 173.086 0.00 1 1207 148 148 VAL CA C 60.502 0.15 1 1208 148 148 VAL CB C 31.303 0.18 1 1209 148 148 VAL CG1 C 21.641 0.08 2 1210 148 148 VAL CG2 C 20.861 0.04 2 1211 148 148 VAL N N 127.585 0.16 1 1212 149 149 PRO HA H 5.008 0.02 1 1213 149 149 PRO HB2 H 2.449 0.02 2 1214 149 149 PRO HB3 H 2.341 0.01 2 1215 149 149 PRO HD2 H 4.218 0.01 2 1216 149 149 PRO HD3 H 3.434 0.01 2 1217 149 149 PRO C C 177.379 0.00 1 1218 149 149 PRO CA C 62.140 0.18 1 1219 149 149 PRO CB C 32.575 0.13 1 1220 149 149 PRO CD C 50.219 0.06 1 1221 150 150 CYS H H 8.846 0.01 1 1222 150 150 CYS HA H 3.891 0.01 1 1223 150 150 CYS HB2 H 2.714 0.01 2 1224 150 150 CYS HB3 H 2.714 0.01 2 1225 150 150 CYS C C 176.350 0.03 1 1226 150 150 CYS CA C 62.455 0.12 1 1227 150 150 CYS CB C 26.190 0.10 1 1228 150 150 CYS N N 118.580 0.08 1 1229 151 151 SER H H 7.958 0.02 1 1230 151 151 SER C C 175.043 0.00 1 1231 151 151 SER CA C 59.421 0.08 1 1232 151 151 SER CB C 62.231 0.00 1 1233 151 151 SER N N 111.543 0.18 1 1234 152 152 ALA H H 7.770 0.01 1 1235 152 152 ALA HA H 4.477 0.00 1 1236 152 152 ALA HB H 1.312 0.01 1 1237 152 152 ALA C C 177.964 0.00 1 1238 152 152 ALA CA C 52.152 0.07 1 1239 152 152 ALA CB C 19.457 0.12 1 1240 152 152 ALA N N 122.686 0.09 1 1241 153 153 ILE H H 7.610 0.01 1 1242 153 153 ILE HA H 3.707 0.01 1 1243 153 153 ILE HB H 2.075 0.01 1 1244 153 153 ILE HG12 H 1.658 0.01 2 1245 153 153 ILE HG13 H 1.320 0.02 2 1246 153 153 ILE HG2 H 0.571 0.01 1 1247 153 153 ILE HD1 H 0.720 0.01 1 1248 153 153 ILE CA C 64.940 0.06 1 1249 153 153 ILE CB C 33.024 0.21 1 1250 153 153 ILE CG1 C 28.859 0.09 1 1251 153 153 ILE CG2 C 18.475 0.16 1 1252 153 153 ILE CD1 C 10.294 0.08 1 1253 153 153 ILE N N 119.238 0.10 1 1254 154 154 PRO HG2 H 2.066 0.02 2 1255 154 154 PRO HG3 H 1.590 0.00 2 1256 154 154 PRO HD2 H 3.614 0.02 2 1257 154 154 PRO HD3 H 3.257 0.01 2 1258 154 154 PRO C C 178.276 0.00 1 1259 154 154 PRO CA C 66.147 0.04 1 1260 154 154 PRO CB C 30.456 0.00 1 1261 154 154 PRO CD C 49.611 0.15 1 1262 155 155 GLU H H 7.379 0.01 1 1263 155 155 GLU HA H 4.152 0.00 1 1264 155 155 GLU C C 177.402 0.00 1 1265 155 155 GLU CA C 58.600 0.05 1 1266 155 155 GLU CB C 30.306 0.01 1 1267 155 155 GLU N N 118.799 0.17 1 1268 156 156 LEU H H 7.308 0.01 1 1269 156 156 LEU HA H 3.721 0.01 1 1270 156 156 LEU HB2 H 1.933 0.01 2 1271 156 156 LEU HB3 H 1.382 0.01 2 1272 156 156 LEU HD1 H 0.795 0.01 2 1273 156 156 LEU HD2 H 0.680 0.00 2 1274 156 156 LEU C C 178.066 0.00 1 1275 156 156 LEU CA C 58.628 0.06 1 1276 156 156 LEU CB C 40.326 0.19 1 1277 156 156 LEU N N 117.903 0.14 1 1278 157 157 LEU H H 7.121 0.01 1 1279 157 157 LEU HA H 3.815 0.01 1 1280 157 157 LEU HB2 H 1.559 0.01 2 1281 157 157 LEU HB3 H 1.012 0.02 2 1282 157 157 LEU HG H 1.252 0.01 1 1283 157 157 LEU HD1 H 0.499 0.01 2 1284 157 157 LEU HD2 H 0.419 0.00 2 1285 157 157 LEU C C 179.384 0.00 1 1286 157 157 LEU CA C 57.379 0.07 1 1287 157 157 LEU CB C 42.151 0.09 1 1288 157 157 LEU CG C 27.401 0.13 1 1289 157 157 LEU CD1 C 24.001 0.05 2 1290 157 157 LEU CD2 C 25.307 0.02 2 1291 157 157 LEU N N 115.912 0.09 1 1292 158 158 ARG H H 8.181 0.01 1 1293 158 158 ARG HA H 4.007 0.01 1 1294 158 158 ARG C C 178.407 0.00 1 1295 158 158 ARG CA C 60.202 0.02 1 1296 158 158 ARG CB C 30.200 0.00 1 1297 158 158 ARG N N 122.359 0.12 1 1298 159 159 VAL H H 7.059 0.01 1 1299 159 159 VAL HA H 4.392 0.01 1 1300 159 159 VAL HB H 2.736 0.01 1 1301 159 159 VAL HG1 H 1.074 0.01 2 1302 159 159 VAL HG2 H 0.980 0.01 2 1303 159 159 VAL C C 175.419 0.01 1 1304 159 159 VAL CA C 63.107 0.08 1 1305 159 159 VAL CB C 31.536 0.10 1 1306 159 159 VAL CG1 C 18.826 0.15 2 1307 159 159 VAL CG2 C 21.631 0.10 2 1308 159 159 VAL N N 104.622 0.11 1 1309 160 160 THR H H 7.583 0.01 1 1310 160 160 THR HA H 4.328 0.01 1 1311 160 160 THR HB H 4.134 0.01 1 1312 160 160 THR HG2 H 1.348 0.00 1 1313 160 160 THR C C 174.401 0.00 1 1314 160 160 THR CA C 64.863 0.12 1 1315 160 160 THR CB C 68.196 0.05 1 1316 160 160 THR CG2 C 20.703 0.01 1 1317 160 160 THR N N 123.866 0.11 1 1318 161 161 LYS H H 9.333 0.01 1 1319 161 161 LYS HA H 3.998 0.00 1 1320 161 161 LYS HB2 H 1.696 0.00 2 1321 161 161 LYS HB3 H 1.353 0.00 2 1322 161 161 LYS C C 174.700 0.00 1 1323 161 161 LYS CA C 56.429 0.03 1 1324 161 161 LYS CB C 32.775 0.06 1 1325 161 161 LYS N N 128.317 0.10 1 1326 162 162 PRO HA H 4.027 0.00 1 1327 162 162 PRO HB2 H 2.043 0.00 2 1328 162 162 PRO HB3 H 2.043 0.00 2 1329 162 162 PRO C C 177.702 0.02 1 1330 162 162 PRO CA C 64.884 0.04 1 1331 162 162 PRO CB C 31.752 0.15 1 1332 163 163 GLY H H 7.627 0.01 1 1333 163 163 GLY HA2 H 4.243 0.01 2 1334 163 163 GLY HA3 H 3.767 0.01 2 1335 163 163 GLY C C 173.551 0.00 1 1336 163 163 GLY CA C 45.897 0.14 1 1337 163 163 GLY N N 115.416 0.16 1 1338 164 164 GLY H H 8.817 0.01 1 1339 164 164 GLY HA2 H 4.686 0.02 2 1340 164 164 GLY HA3 H 3.755 0.02 2 1341 164 164 GLY C C 172.166 0.01 1 1342 164 164 GLY CA C 44.238 0.18 1 1343 164 164 GLY N N 109.492 0.12 1 1344 165 165 LEU H H 7.630 0.01 1 1345 165 165 LEU HA H 5.566 0.01 1 1346 165 165 LEU HB2 H 1.761 0.01 2 1347 165 165 LEU HB3 H 1.346 0.01 2 1348 165 165 LEU HG H 1.022 0.00 1 1349 165 165 LEU C C 175.373 0.00 1 1350 165 165 LEU CA C 53.468 0.09 1 1351 165 165 LEU CB C 46.137 0.08 1 1352 165 165 LEU N N 116.243 0.14 1 1353 166 166 VAL H H 9.160 0.01 1 1354 166 166 VAL HA H 5.026 0.02 1 1355 166 166 VAL HB H 2.015 0.01 1 1356 166 166 VAL HG1 H 1.079 0.01 2 1357 166 166 VAL HG2 H 0.865 0.01 2 1358 166 166 VAL C C 174.335 0.01 1 1359 166 166 VAL CA C 60.684 0.12 1 1360 166 166 VAL CB C 33.897 0.05 1 1361 166 166 VAL CG1 C 20.780 0.15 2 1362 166 166 VAL CG2 C 21.492 0.06 2 1363 166 166 VAL N N 119.210 0.12 1 1364 167 167 CYS H H 9.438 0.01 1 1365 167 167 CYS HA H 5.567 0.02 1 1366 167 167 CYS HB2 H 2.655 0.02 2 1367 167 167 CYS HB3 H 2.528 0.01 2 1368 167 167 CYS C C 172.459 0.00 1 1369 167 167 CYS CA C 56.413 0.09 1 1370 167 167 CYS CB C 28.537 0.09 1 1371 167 167 CYS N N 129.113 0.08 1 1372 168 168 LEU H H 9.460 0.01 1 1373 168 168 LEU HA H 5.483 0.02 1 1374 168 168 LEU HB2 H 1.794 0.02 2 1375 168 168 LEU HB3 H 1.712 0.02 2 1376 168 168 LEU HG H 0.800 0.01 1 1377 168 168 LEU C C 175.525 0.00 1 1378 168 168 LEU CA C 53.664 0.04 1 1379 168 168 LEU CB C 44.587 0.15 1 1380 168 168 LEU CG C 27.824 0.13 1 1381 168 168 LEU N N 125.982 0.10 1 1382 169 169 THR H H 7.088 0.02 1 1383 169 169 THR HA H 6.035 0.01 1 1384 169 169 THR HB H 4.852 0.01 1 1385 169 169 THR HG2 H 1.418 0.01 1 1386 169 169 THR C C 174.328 0.00 1 1387 169 169 THR CA C 59.572 0.23 1 1388 169 169 THR CB C 72.348 0.07 1 1389 169 169 THR CG2 C 22.826 0.03 1 1390 169 169 THR N N 107.381 0.10 1 1391 170 170 THR H H 8.672 0.02 1 1392 170 170 THR HA H 4.823 0.01 1 1393 170 170 THR HB H 4.291 0.02 1 1394 170 170 THR HG2 H 1.139 0.02 1 1395 170 170 THR C C 171.567 0.05 1 1396 170 170 THR CA C 63.022 0.10 1 1397 170 170 THR CB C 71.132 0.07 1 1398 170 170 THR N N 113.954 0.20 1 1399 171 171 ARG H H 7.217 0.04 1 1400 171 171 ARG C C 177.343 0.02 1 1401 171 171 ARG CA C 56.240 0.09 1 1402 171 171 ARG N N 121.738 0.18 1 1403 172 172 THR H H 8.700 0.01 1 1404 172 172 THR HA H 4.498 0.01 1 1405 172 172 THR HB H 4.554 0.02 1 1406 172 172 THR HG2 H 0.773 0.01 1 1407 172 172 THR C C 173.558 0.00 1 1408 172 172 THR CA C 59.532 0.18 1 1409 172 172 THR CB C 66.371 0.16 1 1410 172 172 THR N N 110.853 0.14 1 1411 173 173 ASN H H 8.194 0.01 1 1412 173 173 ASN HA H 5.051 0.01 1 1413 173 173 ASN HB2 H 3.329 0.03 2 1414 173 173 ASN HB3 H 2.789 0.01 2 1415 173 173 ASN C C 173.691 0.00 1 1416 173 173 ASN CA C 52.407 0.12 1 1417 173 173 ASN CB C 35.070 0.09 1 1418 173 173 ASN N N 117.188 0.05 1 1419 175 175 SER H H 9.214 0.01 1 1420 175 175 SER HA H 4.237 0.03 1 1421 175 175 SER HB2 H 3.391 0.03 2 1422 175 175 SER HB3 H 3.044 0.01 2 1423 175 175 SER C C 174.890 0.07 1 1424 175 175 SER CA C 61.031 0.18 1 1425 175 175 SER N N 125.862 0.10 1 1426 176 176 ASN H H 7.790 0.01 1 1427 176 176 ASN HA H 4.898 0.00 1 1428 176 176 ASN C C 174.548 0.01 1 1429 176 176 ASN CA C 54.664 0.17 1 1430 176 176 ASN N N 108.291 0.24 1 1431 177 177 LEU H H 9.064 0.03 1 1432 177 177 LEU HA H 3.918 0.01 1 1433 177 177 LEU HB2 H 1.550 0.01 2 1434 177 177 LEU HB3 H 1.265 0.01 2 1435 177 177 LEU HG H 1.164 0.02 1 1436 177 177 LEU HD1 H 0.790 0.01 2 1437 177 177 LEU HD2 H 0.006 0.03 2 1438 177 177 LEU CA C 56.067 0.18 1 1439 177 177 LEU CB C 42.245 0.09 1 1440 177 177 LEU CG C 26.929 0.15 1 1441 177 177 LEU CD1 C 25.943 0.07 2 1442 177 177 LEU CD2 C 21.965 0.14 2 1443 177 177 LEU N N 121.259 0.19 1 1444 178 178 PRO HA H 4.305 0.00 1 1445 178 178 PRO C C 179.635 0.00 1 1446 178 178 PRO CA C 66.309 0.20 1 1447 178 178 PRO CB C 30.590 0.00 1 1448 179 179 TYR H H 7.613 0.01 1 1449 179 179 TYR HA H 3.977 0.00 1 1450 179 179 TYR HB2 H 3.071 0.01 2 1451 179 179 TYR HB3 H 3.071 0.01 2 1452 179 179 TYR HD1 H 6.900 0.00 3 1453 179 179 TYR HD2 H 6.900 0.00 3 1454 179 179 TYR C C 177.216 0.03 1 1455 179 179 TYR CA C 61.774 0.07 1 1456 179 179 TYR CB C 38.115 0.04 1 1457 179 179 TYR N N 119.706 0.10 1 1458 180 180 LYS H H 8.764 0.01 1 1459 180 180 LYS HA H 3.824 0.01 1 1460 180 180 LYS C C 177.817 0.06 1 1461 180 180 LYS CA C 60.145 0.08 1 1462 180 180 LYS CB C 32.764 0.00 1 1463 180 180 LYS N N 122.632 0.13 1 1464 181 181 GLU H H 8.472 0.01 1 1465 181 181 GLU HA H 4.070 0.01 1 1466 181 181 GLU HB2 H 2.088 0.02 2 1467 181 181 GLU HB3 H 2.088 0.02 2 1468 181 181 GLU C C 179.952 0.00 1 1469 181 181 GLU CA C 59.833 0.05 1 1470 181 181 GLU CB C 29.075 0.02 1 1471 181 181 GLU N N 118.947 0.13 1 1472 182 182 THR H H 7.708 0.01 1 1473 182 182 THR HA H 3.960 0.01 1 1474 182 182 THR HB H 4.115 0.01 1 1475 182 182 THR HG2 H 1.175 0.01 1 1476 182 182 THR C C 176.961 0.00 1 1477 182 182 THR CA C 65.819 0.13 1 1478 182 182 THR CB C 68.045 0.09 1 1479 182 182 THR N N 118.165 0.09 1 1480 183 183 LEU H H 9.045 0.01 1 1481 183 183 LEU HA H 3.854 0.01 1 1482 183 183 LEU HB2 H 2.081 0.01 2 1483 183 183 LEU HB3 H 1.203 0.01 2 1484 183 183 LEU HG H 0.948 0.01 1 1485 183 183 LEU C C 178.609 0.00 1 1486 183 183 LEU CA C 58.777 0.02 1 1487 183 183 LEU CB C 40.786 0.12 1 1488 183 183 LEU CG C 26.465 0.12 1 1489 183 183 LEU N N 128.351 0.13 1 1490 184 184 GLU H H 8.840 0.01 1 1491 184 184 GLU HA H 3.671 0.01 1 1492 184 184 GLU HB2 H 2.044 0.01 2 1493 184 184 GLU HB3 H 2.044 0.01 2 1494 184 184 GLU HG2 H 2.697 0.00 2 1495 184 184 GLU HG3 H 2.320 0.01 2 1496 184 184 GLU C C 178.219 0.01 1 1497 184 184 GLU CA C 60.229 0.10 1 1498 184 184 GLU CB C 28.302 0.08 1 1499 184 184 GLU CG C 37.485 0.08 1 1500 184 184 GLU N N 119.357 0.10 1 1501 185 185 ALA H H 7.806 0.01 1 1502 185 185 ALA HA H 4.274 0.01 1 1503 185 185 ALA HB H 1.520 0.01 1 1504 185 185 ALA C C 181.245 0.01 1 1505 185 185 ALA CA C 55.170 0.13 1 1506 185 185 ALA CB C 17.527 0.05 1 1507 185 185 ALA N N 121.187 0.15 1 1508 186 186 THR H H 7.838 0.02 1 1509 186 186 THR HA H 3.869 0.01 1 1510 186 186 THR HB H 4.520 0.01 1 1511 186 186 THR HG2 H 1.071 0.00 1 1512 186 186 THR C C 176.166 0.00 1 1513 186 186 THR CA C 67.216 0.09 1 1514 186 186 THR CB C 68.525 0.08 1 1515 186 186 THR N N 118.656 0.08 1 1516 187 187 LEU H H 8.664 0.01 1 1517 187 187 LEU HA H 3.999 0.01 1 1518 187 187 LEU HB2 H 1.812 0.01 2 1519 187 187 LEU HB3 H 1.653 0.03 2 1520 187 187 LEU HG H 1.847 0.01 1 1521 187 187 LEU HD1 H 0.468 0.02 2 1522 187 187 LEU HD2 H 0.238 0.01 2 1523 187 187 LEU C C 179.937 0.00 1 1524 187 187 LEU CA C 58.991 0.13 1 1525 187 187 LEU CB C 38.762 0.10 1 1526 187 187 LEU CG C 25.761 0.03 1 1527 187 187 LEU CD1 C 23.077 0.07 2 1528 187 187 LEU CD2 C 23.326 0.08 2 1529 187 187 LEU N N 122.743 0.11 1 1530 188 188 ASP H H 8.660 0.01 1 1531 188 188 ASP HA H 4.641 0.01 1 1532 188 188 ASP HB2 H 2.861 0.01 2 1533 188 188 ASP HB3 H 2.684 0.01 2 1534 188 188 ASP C C 178.841 0.01 1 1535 188 188 ASP CA C 57.049 0.10 1 1536 188 188 ASP CB C 40.933 0.10 1 1537 188 188 ASP N N 118.369 0.08 1 1538 189 189 SER H H 8.079 0.01 1 1539 189 189 SER HA H 4.027 0.00 1 1540 189 189 SER HB2 H 4.035 0.01 2 1541 189 189 SER HB3 H 4.035 0.01 2 1542 189 189 SER C C 177.629 0.00 1 1543 189 189 SER CA C 61.986 0.02 1 1544 189 189 SER CB C 62.468 0.00 1 1545 189 189 SER N N 116.700 0.10 1 1546 190 190 LEU H H 7.505 0.01 1 1547 190 190 LEU HA H 4.006 0.01 1 1548 190 190 LEU HB2 H 1.553 0.02 2 1549 190 190 LEU HB3 H 0.264 0.01 2 1550 190 190 LEU HG H 1.477 0.01 1 1551 190 190 LEU HD1 H 0.093 0.01 2 1552 190 190 LEU HD2 H 0.335 0.02 2 1553 190 190 LEU C C 178.341 0.02 1 1554 190 190 LEU CA C 57.803 0.02 1 1555 190 190 LEU CB C 41.006 0.12 1 1556 190 190 LEU CG C 26.903 0.03 1 1557 190 190 LEU CD1 C 25.423 0.07 2 1558 190 190 LEU CD2 C 22.131 0.06 2 1559 190 190 LEU N N 123.367 0.09 1 1560 191 191 GLU H H 8.235 0.01 1 1561 191 191 GLU HA H 4.810 0.01 1 1562 191 191 GLU HB2 H 2.613 0.01 2 1563 191 191 GLU HB3 H 2.271 0.02 2 1564 191 191 GLU HG2 H 2.934 0.01 2 1565 191 191 GLU HG3 H 2.531 0.02 2 1566 191 191 GLU C C 180.996 0.03 1 1567 191 191 GLU CA C 60.124 0.14 1 1568 191 191 GLU CB C 29.927 0.15 1 1569 191 191 GLU CG C 37.083 0.12 1 1570 191 191 GLU N N 122.018 0.08 1 1571 192 192 ARG H H 9.064 0.01 1 1572 192 192 ARG HA H 4.163 0.01 1 1573 192 192 ARG HB2 H 1.995 0.01 2 1574 192 192 ARG HB3 H 1.919 0.01 2 1575 192 192 ARG HG2 H 1.921 0.00 2 1576 192 192 ARG HG3 H 1.709 0.02 2 1577 192 192 ARG HD2 H 3.280 0.01 2 1578 192 192 ARG HD3 H 3.177 0.00 2 1579 192 192 ARG C C 178.258 0.01 1 1580 192 192 ARG CA C 59.320 0.11 1 1581 192 192 ARG CB C 29.850 0.12 1 1582 192 192 ARG CG C 28.141 0.10 1 1583 192 192 ARG N N 122.007 0.07 1 1584 193 193 ALA H H 7.511 0.01 1 1585 193 193 ALA HA H 4.349 0.01 1 1586 193 193 ALA HB H 1.561 0.01 1 1587 193 193 ALA C C 178.127 0.02 1 1588 193 193 ALA CA C 52.547 0.09 1 1589 193 193 ALA CB C 18.679 0.09 1 1590 193 193 ALA N N 119.026 0.12 1 1591 194 194 GLY H H 8.056 0.01 1 1592 194 194 GLY HA2 H 4.193 0.01 2 1593 194 194 GLY HA3 H 4.070 0.01 2 1594 194 194 GLY C C 175.160 0.00 1 1595 194 194 GLY CA C 45.373 0.09 1 1596 194 194 GLY N N 106.061 0.12 1 1597 195 195 VAL H H 7.407 0.02 1 1598 195 195 VAL HA H 4.164 0.01 1 1599 195 195 VAL HB H 2.071 0.01 1 1600 195 195 VAL HG1 H 0.785 0.01 2 1601 195 195 VAL HG2 H 0.608 0.01 2 1602 195 195 VAL C C 176.603 0.00 1 1603 195 195 VAL CA C 62.969 0.11 1 1604 195 195 VAL CB C 31.647 0.05 1 1605 195 195 VAL CG1 C 21.858 0.08 2 1606 195 195 VAL CG2 C 20.553 0.06 2 1607 195 195 VAL N N 111.157 0.17 1 1608 196 196 TRP H H 7.810 0.01 1 1609 196 196 TRP HA H 5.439 0.01 1 1610 196 196 TRP HB2 H 3.539 0.01 2 1611 196 196 TRP HB3 H 3.155 0.01 2 1612 196 196 TRP HD1 H 6.716 0.00 1 1613 196 196 TRP C C 173.527 0.01 1 1614 196 196 TRP CA C 53.569 0.14 1 1615 196 196 TRP CB C 30.837 0.08 1 1616 196 196 TRP N N 115.089 0.11 1 1617 197 197 GLU H H 8.819 0.01 1 1618 197 197 GLU HA H 4.990 0.01 1 1619 197 197 GLU HB2 H 1.957 0.01 2 1620 197 197 GLU HB3 H 1.957 0.01 2 1621 197 197 GLU HG2 H 2.153 0.01 2 1622 197 197 GLU HG3 H 2.153 0.01 2 1623 197 197 GLU C C 173.940 0.06 1 1624 197 197 GLU CA C 53.992 0.08 1 1625 197 197 GLU CB C 33.643 0.08 1 1626 197 197 GLU CG C 35.607 0.11 1 1627 197 197 GLU N N 118.273 0.12 1 1628 198 198 CYS H H 8.814 0.01 1 1629 198 198 CYS HA H 2.612 0.05 1 1630 198 198 CYS HB2 H 2.519 0.01 2 1631 198 198 CYS HB3 H 2.355 0.01 2 1632 198 198 CYS C C 174.757 0.02 1 1633 198 198 CYS CA C 59.942 0.15 1 1634 198 198 CYS CB C 27.151 0.05 1 1635 198 198 CYS N N 126.344 0.12 1 1636 199 199 LEU H H 9.032 0.01 1 1637 199 199 LEU HA H 4.371 0.01 1 1638 199 199 LEU HB2 H 1.422 0.01 2 1639 199 199 LEU HB3 H 1.422 0.01 2 1640 199 199 LEU HD2 H 0.675 0.01 2 1641 199 199 LEU C C 177.112 0.00 1 1642 199 199 LEU CA C 55.992 0.04 1 1643 199 199 LEU CB C 42.944 0.07 1 1644 199 199 LEU CD2 C 21.828 0.12 2 1645 199 199 LEU N N 130.501 0.11 1 1646 200 200 VAL H H 7.663 0.01 1 1647 200 200 VAL HA H 4.216 0.02 1 1648 200 200 VAL HB H 1.803 0.01 1 1649 200 200 VAL HG1 H 0.792 0.01 2 1650 200 200 VAL HG2 H 0.721 0.01 2 1651 200 200 VAL C C 173.622 0.02 1 1652 200 200 VAL CA C 61.280 0.09 1 1653 200 200 VAL CB C 36.724 0.06 1 1654 200 200 VAL CG1 C 21.274 0.03 2 1655 200 200 VAL N N 117.983 0.14 1 1656 201 201 THR H H 7.949 0.02 1 1657 201 201 THR HA H 4.651 0.02 1 1658 201 201 THR HB H 3.813 0.01 1 1659 201 201 THR HG2 H 1.051 0.01 1 1660 201 201 THR C C 173.593 0.02 1 1661 201 201 THR CA C 61.536 0.09 1 1662 201 201 THR CB C 70.208 0.27 1 1663 201 201 THR N N 120.032 0.18 1 1664 202 202 GLN H H 9.375 0.01 1 1665 202 202 GLN HA H 4.888 0.00 1 1666 202 202 GLN HB2 H 1.632 0.00 2 1667 202 202 GLN HB3 H 1.632 0.00 2 1668 202 202 GLN HG2 H 2.071 0.00 2 1669 202 202 GLN HG3 H 2.005 0.03 2 1670 202 202 GLN HE21 H 7.200 0.00 2 1671 202 202 GLN HE22 H 6.805 0.01 2 1672 202 202 GLN CA C 51.842 0.06 1 1673 202 202 GLN CB C 31.734 0.11 1 1674 202 202 GLN CG C 33.434 0.11 1 1675 202 202 GLN CD C 179.727 0.05 1 1676 202 202 GLN N N 126.667 0.15 1 1677 202 202 GLN NE2 N 110.865 0.22 1 1678 203 203 PRO HA H 4.609 0.01 1 1679 203 203 PRO HB2 H 2.188 0.01 2 1680 203 203 PRO HB3 H 1.884 0.00 2 1681 203 203 PRO C C 176.531 0.00 1 1682 203 203 PRO CA C 62.439 0.12 1 1683 203 203 PRO CB C 32.017 0.17 1 1684 204 204 VAL H H 8.628 0.01 1 1685 204 204 VAL C C 174.867 0.00 1 1686 204 204 VAL CA C 61.215 0.12 1 1687 204 204 VAL N N 123.472 0.15 1 1688 205 205 ASP H H 8.139 0.01 1 1689 205 205 ASP HA H 5.222 0.01 1 1690 205 205 ASP HB2 H 2.415 0.02 2 1691 205 205 ASP HB3 H 2.211 0.02 2 1692 205 205 ASP C C 175.646 0.00 1 1693 205 205 ASP CA C 52.269 0.11 1 1694 205 205 ASP CB C 41.242 0.16 1 1695 205 205 ASP N N 119.330 0.08 1 1696 206 206 HIS H H 7.538 0.01 1 1697 206 206 HIS HA H 4.272 0.01 1 1698 206 206 HIS HB2 H 1.998 0.01 2 1699 206 206 HIS HB3 H 1.587 0.01 2 1700 206 206 HIS C C 176.013 0.00 1 1701 206 206 HIS CA C 59.221 0.00 1 1702 206 206 HIS CB C 38.188 0.09 1 1703 206 206 HIS N N 120.267 0.12 1 1704 207 207 TRP HA H 4.205 0.00 1 1705 207 207 TRP C C 177.515 0.00 1 1706 207 207 TRP CA C 58.123 0.04 1 1707 207 207 TRP CB C 29.227 0.29 1 1708 208 208 GLU H H 8.301 0.01 1 1709 208 208 GLU C C 176.735 0.02 1 1710 208 208 GLU CA C 57.149 0.06 1 1711 208 208 GLU CB C 28.821 0.00 1 1712 208 208 GLU N N 118.914 0.08 1 1713 209 209 LEU H H 7.842 0.02 1 1714 209 209 LEU C C 176.058 0.00 1 1715 209 209 LEU CA C 56.127 0.05 1 1716 209 209 LEU N N 118.228 0.13 1 1717 215 215 GLU HA H 4.434 0.00 1 1718 215 215 GLU C C 176.043 0.00 1 1719 215 215 GLU CA C 56.114 0.04 1 1720 215 215 GLU CB C 29.899 0.00 1 1721 216 216 THR H H 7.719 0.03 1 1722 216 216 THR HA H 4.350 0.02 1 1723 216 216 THR HB H 4.287 0.01 1 1724 216 216 THR HG2 H 1.192 0.00 1 1725 216 216 THR C C 175.167 0.00 1 1726 216 216 THR CA C 62.104 0.04 1 1727 216 216 THR CB C 69.778 0.19 1 1728 216 216 THR N N 111.459 0.15 1 1729 217 217 GLY H H 8.199 0.01 1 1730 217 217 GLY HA2 H 4.028 0.01 2 1731 217 217 GLY HA3 H 3.956 0.01 2 1732 217 217 GLY C C 173.903 0.03 1 1733 217 217 GLY CA C 45.389 0.05 1 1734 217 217 GLY N N 109.829 0.12 1 1735 218 218 LEU H H 8.167 0.02 1 1736 218 218 LEU HA H 4.371 0.01 1 1737 218 218 LEU HB2 H 1.654 0.00 2 1738 218 218 LEU HB3 H 1.598 0.00 2 1739 218 218 LEU C C 177.919 0.03 1 1740 218 218 LEU CA C 55.078 0.04 1 1741 218 218 LEU CB C 42.424 0.06 1 1742 218 218 LEU N N 121.218 0.08 1 1743 219 219 GLY H H 8.487 0.02 1 1744 219 219 GLY HA2 H 4.051 0.01 2 1745 219 219 GLY HA3 H 3.951 0.02 2 1746 219 219 GLY C C 174.695 0.00 1 1747 219 219 GLY CA C 45.488 0.06 1 1748 219 219 GLY N N 109.801 0.14 1 1749 220 220 THR H H 8.089 0.02 1 1750 220 220 THR HA H 4.431 0.00 1 1751 220 220 THR HB H 4.294 0.01 1 1752 220 220 THR HG2 H 1.200 0.01 1 1753 220 220 THR C C 174.783 0.05 1 1754 220 220 THR CA C 62.207 0.03 1 1755 220 220 THR CB C 69.513 0.06 1 1756 220 220 THR N N 113.396 0.10 1 1757 221 221 CYS H H 8.356 0.01 1 1758 221 221 CYS HA H 4.500 0.01 1 1759 221 221 CYS HB2 H 2.981 0.00 2 1760 221 221 CYS HB3 H 2.926 0.00 2 1761 221 221 CYS C C 174.271 0.03 1 1762 221 221 CYS CA C 58.442 0.12 1 1763 221 221 CYS CB C 27.790 0.09 1 1764 221 221 CYS N N 120.577 0.17 1 1765 222 222 ALA H H 8.304 0.02 1 1766 222 222 ALA HA H 4.338 0.00 1 1767 222 222 ALA HB H 1.413 0.01 1 1768 222 222 ALA C C 177.759 0.01 1 1769 222 222 ALA CA C 52.985 0.04 1 1770 222 222 ALA CB C 19.050 0.02 1 1771 222 222 ALA N N 125.702 0.11 1 1772 223 223 ASN H H 8.532 0.01 1 1773 223 223 ASN HA H 4.743 0.01 1 1774 223 223 ASN HB2 H 3.026 0.01 2 1775 223 223 ASN HB3 H 2.740 0.02 2 1776 223 223 ASN HD21 H 7.468 0.01 2 1777 223 223 ASN HD22 H 6.994 0.01 2 1778 223 223 ASN C C 175.067 0.02 1 1779 223 223 ASN CA C 53.385 0.11 1 1780 223 223 ASN CB C 38.925 0.13 1 1781 223 223 ASN CG C 177.377 0.01 1 1782 223 223 ASN N N 118.550 0.13 1 1783 223 223 ASN ND2 N 112.551 0.22 1 1784 224 224 ASP H H 8.338 0.01 1 1785 224 224 ASP HA H 4.534 0.01 1 1786 224 224 ASP HB2 H 2.896 0.00 2 1787 224 224 ASP HB3 H 2.896 0.00 2 1788 224 224 ASP C C 175.815 0.00 1 1789 224 224 ASP CA C 54.779 0.07 1 1790 224 224 ASP CB C 40.566 0.08 1 1791 224 224 ASP N N 117.513 0.12 1 1792 225 225 GLY H H 8.324 0.01 1 1793 225 225 GLY HA2 H 4.056 0.01 2 1794 225 225 GLY HA3 H 3.755 0.01 2 1795 225 225 GLY C C 173.964 0.00 1 1796 225 225 GLY CA C 45.459 0.12 1 1797 225 225 GLY N N 105.667 0.11 1 1798 226 226 PHE H H 8.106 0.01 1 1799 226 226 PHE HA H 5.050 0.01 1 1800 226 226 PHE HB2 H 3.283 0.03 2 1801 226 226 PHE HB3 H 3.046 0.02 2 1802 226 226 PHE HD1 H 6.894 0.01 3 1803 226 226 PHE HD2 H 6.894 0.01 3 1804 226 226 PHE C C 177.502 0.01 1 1805 226 226 PHE CA C 58.195 0.11 1 1806 226 226 PHE CB C 42.248 0.02 1 1807 226 226 PHE N N 119.047 0.17 1 1808 227 227 ILE H H 8.967 0.02 1 1809 227 227 ILE HA H 4.925 0.02 1 1810 227 227 ILE HB H 2.211 0.01 1 1811 227 227 ILE HG2 H 1.137 0.01 1 1812 227 227 ILE C C 174.519 0.00 1 1813 227 227 ILE CA C 59.887 0.16 1 1814 227 227 ILE CB C 40.941 0.14 1 1815 227 227 ILE CG2 C 18.652 0.11 1 1816 227 227 ILE N N 114.905 0.22 1 1817 228 228 SER H H 8.146 0.01 1 1818 228 228 SER HA H 5.116 0.01 1 1819 228 228 SER HB2 H 4.058 0.01 2 1820 228 228 SER HB3 H 3.924 0.01 2 1821 228 228 SER C C 173.398 0.00 1 1822 228 228 SER CA C 56.835 0.08 1 1823 228 228 SER CB C 66.384 0.15 1 1824 228 228 SER N N 115.702 0.27 1 1825 229 229 GLY H H 8.520 0.04 1 1826 229 229 GLY C C 171.972 0.00 1 1827 229 229 GLY CA C 45.051 0.09 1 1828 229 229 GLY N N 105.598 0.07 1 1829 230 230 ILE H H 8.376 0.07 1 1830 230 230 ILE HA H 4.602 0.02 1 1831 230 230 ILE HB H 1.189 0.02 1 1832 230 230 ILE HG12 H 0.817 0.01 2 1833 230 230 ILE HG13 H 0.105 0.02 2 1834 230 230 ILE HG2 H 0.313 0.06 1 1835 230 230 ILE HD1 H 0.553 0.01 1 1836 230 230 ILE C C 171.140 0.00 1 1837 230 230 ILE CA C 60.600 0.06 1 1838 230 230 ILE CB C 42.582 0.08 1 1839 230 230 ILE CG1 C 27.983 0.15 1 1840 230 230 ILE CG2 C 15.761 0.16 1 1841 230 230 ILE CD1 C 14.679 0.11 1 1842 230 230 ILE N N 122.731 0.04 1 1843 231 231 ILE H H 7.676 0.05 1 1844 231 231 ILE HA H 4.541 0.01 1 1845 231 231 ILE HB H 1.584 0.01 1 1846 231 231 ILE HG12 H 1.753 0.01 2 1847 231 231 ILE HG13 H 0.904 0.00 2 1848 231 231 ILE HG2 H 0.842 0.01 1 1849 231 231 ILE HD1 H 0.745 0.01 1 1850 231 231 ILE C C 173.369 0.00 1 1851 231 231 ILE CA C 59.788 0.20 1 1852 231 231 ILE CB C 41.053 0.00 1 1853 231 231 ILE CG2 C 18.482 0.12 1 1854 231 231 ILE CD1 C 14.720 0.12 1 1855 231 231 ILE N N 124.635 0.18 1 1856 232 232 TYR H H 9.407 0.01 1 1857 232 232 TYR HA H 5.086 0.01 1 1858 232 232 TYR HB2 H 3.015 0.01 2 1859 232 232 TYR HB3 H 2.897 0.01 2 1860 232 232 TYR HD1 H 6.877 0.01 3 1861 232 232 TYR HD2 H 6.877 0.01 3 1862 232 232 TYR HE1 H 6.517 0.01 3 1863 232 232 TYR HE2 H 6.517 0.01 3 1864 232 232 TYR C C 174.916 0.00 1 1865 232 232 TYR CA C 55.669 0.13 1 1866 232 232 TYR CB C 41.861 0.13 1 1867 232 232 TYR CD1 C 130.126 0.11 3 1868 232 232 TYR CD2 C 130.126 0.11 3 1869 232 232 TYR N N 124.163 0.18 1 1870 233 233 LEU H H 8.784 0.01 1 1871 233 233 LEU HA H 5.477 0.02 1 1872 233 233 LEU HB2 H 1.765 0.01 2 1873 233 233 LEU HB3 H 1.206 0.02 2 1874 233 233 LEU HG H 0.824 0.01 1 1875 233 233 LEU HD1 H 0.954 0.01 2 1876 233 233 LEU HD2 H 0.831 0.00 2 1877 233 233 LEU C C 174.107 0.03 1 1878 233 233 LEU CA C 53.877 0.15 1 1879 233 233 LEU CB C 46.179 0.14 1 1880 233 233 LEU CG C 27.167 0.08 1 1881 233 233 LEU CD1 C 23.989 0.29 2 1882 233 233 LEU N N 122.954 0.15 1 1883 234 234 TYR H H 9.179 0.01 1 1884 234 234 TYR HA H 4.767 0.00 1 1885 234 234 TYR C C 173.790 0.01 1 1886 234 234 TYR CA C 56.298 0.05 1 1887 234 234 TYR CB C 44.446 0.00 1 1888 234 234 TYR N N 127.574 0.08 1 1889 235 235 ARG H H 8.977 0.01 1 1890 235 235 ARG HA H 5.437 0.02 1 1891 235 235 ARG C C 176.828 0.01 1 1892 235 235 ARG CA C 53.592 0.04 1 1893 235 235 ARG CB C 33.994 0.00 1 1894 235 235 ARG N N 120.003 0.12 1 1895 236 236 LYS H H 9.323 0.01 1 1896 236 236 LYS HA H 4.404 0.01 1 1897 236 236 LYS C C 176.102 0.00 1 1898 236 236 LYS CA C 57.827 0.04 1 1899 236 236 LYS N N 130.927 0.14 1 1900 237 237 GLN H H 8.016 0.02 1 1901 237 237 GLN HA H 4.326 0.01 1 1902 237 237 GLN HB2 H 2.111 0.02 2 1903 237 237 GLN HB3 H 1.949 0.01 2 1904 237 237 GLN HG2 H 2.480 0.01 2 1905 237 237 GLN HG3 H 2.295 0.00 2 1906 237 237 GLN HE21 H 7.270 0.01 2 1907 237 237 GLN HE22 H 6.760 0.01 2 1908 237 237 GLN C C 176.074 0.03 1 1909 237 237 GLN CA C 56.934 0.10 1 1910 237 237 GLN CB C 29.292 0.07 1 1911 237 237 GLN CG C 32.941 0.11 1 1912 237 237 GLN CD C 179.533 0.02 1 1913 237 237 GLN N N 127.851 0.13 1 1914 237 237 GLN NE2 N 110.637 0.21 1 1915 238 238 GLU H H 8.646 0.01 1 1916 238 238 GLU HA H 4.246 0.00 1 1917 238 238 GLU HB2 H 2.067 0.01 2 1918 238 238 GLU HB3 H 1.917 0.01 2 1919 238 238 GLU C C 176.071 0.00 1 1920 238 238 GLU CA C 56.860 0.04 1 1921 238 238 GLU CB C 30.816 0.03 1 1922 238 238 GLU N N 123.300 0.13 1 1923 239 239 THR H H 8.228 0.03 1 1924 239 239 THR HA H 4.350 0.01 1 1925 239 239 THR HB H 4.154 0.01 1 1926 239 239 THR HG2 H 1.178 0.01 1 1927 239 239 THR C C 173.537 0.01 1 1928 239 239 THR CA C 61.827 0.08 1 1929 239 239 THR CB C 69.668 0.14 1 1930 239 239 THR CG2 C 21.531 0.03 1 1931 239 239 THR N N 116.204 0.18 1 1932 240 240 VAL H H 7.773 0.02 1 1933 240 240 VAL HA H 4.031 0.01 1 1934 240 240 VAL HB H 2.048 0.01 1 1935 240 240 VAL HG1 H 0.866 0.00 2 1936 240 240 VAL HG2 H 0.854 0.00 2 1937 240 240 VAL C C 180.907 0.00 1 1938 240 240 VAL CA C 63.509 0.04 1 1939 240 240 VAL CB C 33.096 0.01 1 1940 240 240 VAL CG1 C 21.375 0.03 2 1941 240 240 VAL CG2 C 19.954 0.02 2 1942 240 240 VAL N N 126.885 0.10 1 stop_ save_