data_17510 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N backbone and side-chain resonance assignments of Drosophila melanogaster Ssu72 ; _BMRB_accession_number 17510 _BMRB_flat_file_name bmr17510.str _Entry_type original _Submission_date 2011-03-04 _Accession_date 2011-03-04 _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 Werner-Allen Jon W. . 2 Zhou Pei . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1059 "13C chemical shifts" 791 "15N chemical shifts" 177 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-04-06 update BMRB 'update entry citation' 2011-07-07 original author 'original release' stop_ _Original_release_date 2011-03-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; (1)H, (13)C and (15)N backbone and side-chain resonance assignments of Drosophila melanogaster Ssu72. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21732054 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Werner-Allen Jon W. . 2 Zhou Pei . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 6 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 57 _Page_last 61 _Year 2012 _Details . loop_ _Keyword CTD 'RNA Pol II' Ssu72 'cis proline' phosphatase stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'protein ligand complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Drosophila melanogaster Ssu72' $Ssu72 'inorganic phosphate' $entity_PO4 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_Ssu72 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Ssu72 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'RNA polymerase II C-terminal domain phosphatase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 198 _Mol_residue_sequence ; GSHMTDPSKLAVAVVCSSNM NRSMEAHNFLAKKGFNVRSY GTGERVKLPGMAFDKPNVYE FGTKYEDIYRDLESKDKEFY TQNGLLHMLDRNRRIKKCPE RFQDTKEQFDIIVTVEERVY DLVVMHMESMESVDNRPVHV LNVDVVDNAEDALMGAFVIT DMINMMAKSTDLDNDIDELI QEFEERRKRVILHSVLFY ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 SER 3 0 HIS 4 1 MET 5 2 THR 6 3 ASP 7 4 PRO 8 5 SER 9 6 LYS 10 7 LEU 11 8 ALA 12 9 VAL 13 10 ALA 14 11 VAL 15 12 VAL 16 13 CYS 17 14 SER 18 15 SER 19 16 ASN 20 17 MET 21 18 ASN 22 19 ARG 23 20 SER 24 21 MET 25 22 GLU 26 23 ALA 27 24 HIS 28 25 ASN 29 26 PHE 30 27 LEU 31 28 ALA 32 29 LYS 33 30 LYS 34 31 GLY 35 32 PHE 36 33 ASN 37 34 VAL 38 35 ARG 39 36 SER 40 37 TYR 41 38 GLY 42 39 THR 43 40 GLY 44 41 GLU 45 42 ARG 46 43 VAL 47 44 LYS 48 45 LEU 49 46 PRO 50 47 GLY 51 48 MET 52 49 ALA 53 50 PHE 54 51 ASP 55 52 LYS 56 53 PRO 57 54 ASN 58 55 VAL 59 56 TYR 60 57 GLU 61 58 PHE 62 59 GLY 63 60 THR 64 61 LYS 65 62 TYR 66 63 GLU 67 64 ASP 68 65 ILE 69 66 TYR 70 67 ARG 71 68 ASP 72 69 LEU 73 70 GLU 74 71 SER 75 72 LYS 76 73 ASP 77 74 LYS 78 75 GLU 79 76 PHE 80 77 TYR 81 78 THR 82 79 GLN 83 80 ASN 84 81 GLY 85 82 LEU 86 83 LEU 87 84 HIS 88 85 MET 89 86 LEU 90 87 ASP 91 88 ARG 92 89 ASN 93 90 ARG 94 91 ARG 95 92 ILE 96 93 LYS 97 94 LYS 98 95 CYS 99 96 PRO 100 97 GLU 101 98 ARG 102 99 PHE 103 100 GLN 104 101 ASP 105 102 THR 106 103 LYS 107 104 GLU 108 105 GLN 109 106 PHE 110 107 ASP 111 108 ILE 112 109 ILE 113 110 VAL 114 111 THR 115 112 VAL 116 113 GLU 117 114 GLU 118 115 ARG 119 116 VAL 120 117 TYR 121 118 ASP 122 119 LEU 123 120 VAL 124 121 VAL 125 122 MET 126 123 HIS 127 124 MET 128 125 GLU 129 126 SER 130 127 MET 131 128 GLU 132 129 SER 133 130 VAL 134 131 ASP 135 132 ASN 136 133 ARG 137 134 PRO 138 135 VAL 139 136 HIS 140 137 VAL 141 138 LEU 142 139 ASN 143 140 VAL 144 141 ASP 145 142 VAL 146 143 VAL 147 144 ASP 148 145 ASN 149 146 ALA 150 147 GLU 151 148 ASP 152 149 ALA 153 150 LEU 154 151 MET 155 152 GLY 156 153 ALA 157 154 PHE 158 155 VAL 159 156 ILE 160 157 THR 161 158 ASP 162 159 MET 163 160 ILE 164 161 ASN 165 162 MET 166 163 MET 167 164 ALA 168 165 LYS 169 166 SER 170 167 THR 171 168 ASP 172 169 LEU 173 170 ASP 174 171 ASN 175 172 ASP 176 173 ILE 177 174 ASP 178 175 GLU 179 176 LEU 180 177 ILE 181 178 GLN 182 179 GLU 183 180 PHE 184 181 GLU 185 182 GLU 186 183 ARG 187 184 ARG 188 185 LYS 189 186 ARG 190 187 VAL 191 188 ILE 192 189 LEU 193 190 HIS 194 191 SER 195 192 VAL 196 193 LEU 197 194 PHE 198 195 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_PO4 _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'PHOSPHATE ION' _BMRB_code PO4 _PDB_code PO4 _Molecular_mass 94.971 _Mol_charge -3 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons P P P . 0 . ? O1 O1 O . 0 . ? O2 O2 O . -1 . ? O3 O3 O . -1 . ? O4 O4 O . -1 . ? 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 DOUB P O1 ? ? SING P O2 ? ? SING P O3 ? ? SING P O4 ? ? 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 $Ssu72 'fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster 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 $Ssu72 'recombinant technology' . Escherichia coli . pet15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ssu72 1 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' 'Sodium phosphate' 25 mM 'natural abundance' 'Potassium chloride' 25 mM 'natural abundance' dithiothreitol 2 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ssu72 1 mM '[U-100% 13C; U-100% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' 'Sodium phosphate' 25 mM 'natural abundance' 'Potassium chloride' 25 mM 'natural abundance' dithiothreitol 2 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ssu72 1 mM '[U-100% 13C; U-100% 15N]' D2O 100 % 'natural abundance' 'Sodium phosphate' 25 mM 'natural abundance' 'Potassium chloride' 25 mM 'natural abundance' dithiothreitol 2 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ssu72 1 mM '[U-10% 13C]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' 'Sodium phosphate' 25 mM 'natural abundance' 'Potassium chloride' 25 mM 'natural abundance' dithiothreitol 2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_HN(CA)HA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)HA' _Sample_label $sample_2 save_ save_3D_HN(COCA)HA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)HA' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_4 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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' 75 . mM pH 8 . pH pressure 1 . atm temperature 273 . 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HN(CA)CO' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D HN(COCA)CB' '3D HN(CA)HA' '3D HN(COCA)HA' '2D 1H-13C HSQC' '3D HCCH-TOCSY' '3D 1H-13C NOESY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Drosophila melanogaster Ssu72' _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 5 THR HA H 4.357 0.02 1 2 2 5 THR HB H 4.244 0.02 1 3 2 5 THR HG2 H 1.244 0.02 1 4 2 5 THR CA C 62.132 0.40 1 5 2 5 THR CB C 69.845 0.40 1 6 2 5 THR CG2 C 21.902 0.40 1 7 3 6 ASP HA H 5.019 0.02 1 8 3 6 ASP HB2 H 2.647 0.02 2 9 3 6 ASP HB3 H 2.859 0.02 2 10 3 6 ASP CA C 51.861 0.40 1 11 3 6 ASP CB C 41.692 0.40 1 12 4 7 PRO HA H 4.400 0.02 1 13 4 7 PRO HB2 H 1.774 0.02 2 14 4 7 PRO HB3 H 2.031 0.02 2 15 4 7 PRO HG2 H 1.961 0.02 2 16 4 7 PRO HG3 H 1.961 0.02 2 17 4 7 PRO HD2 H 3.905 0.02 2 18 4 7 PRO HD3 H 3.905 0.02 2 19 4 7 PRO CA C 64.125 0.40 1 20 4 7 PRO CB C 32.213 0.40 1 21 4 7 PRO CG C 27.210 0.40 1 22 4 7 PRO CD C 51.041 0.40 1 23 5 8 SER H H 8.374 0.02 1 24 5 8 SER HA H 4.422 0.02 1 25 5 8 SER HB2 H 4.089 0.02 2 26 5 8 SER HB3 H 3.976 0.02 2 27 5 8 SER C C 175.107 0.40 1 28 5 8 SER CA C 59.668 0.40 1 29 5 8 SER CB C 63.629 0.40 1 30 5 8 SER N N 114.132 0.40 1 31 6 9 LYS H H 8.052 0.02 1 32 6 9 LYS HA H 4.447 0.02 1 33 6 9 LYS HB2 H 2.089 0.02 2 34 6 9 LYS HB3 H 1.954 0.02 2 35 6 9 LYS HG2 H 1.592 0.02 2 36 6 9 LYS HG3 H 1.524 0.02 2 37 6 9 LYS HD2 H 1.790 0.02 2 38 6 9 LYS HD3 H 1.790 0.02 2 39 6 9 LYS HE2 H 3.092 0.02 2 40 6 9 LYS HE3 H 3.092 0.02 2 41 6 9 LYS C C 176.425 0.40 1 42 6 9 LYS CA C 56.448 0.40 1 43 6 9 LYS CB C 32.980 0.40 1 44 6 9 LYS CG C 25.125 0.40 1 45 6 9 LYS CD C 29.076 0.40 1 46 6 9 LYS CE C 42.094 0.40 1 47 6 9 LYS N N 122.388 0.40 1 48 7 10 LEU H H 7.848 0.02 1 49 7 10 LEU HA H 4.552 0.02 1 50 7 10 LEU HB2 H 1.791 0.02 2 51 7 10 LEU HB3 H 1.657 0.02 2 52 7 10 LEU HG H 1.712 0.02 1 53 7 10 LEU HD1 H 0.967 0.02 1 54 7 10 LEU HD2 H 0.918 0.02 1 55 7 10 LEU C C 175.269 0.40 1 56 7 10 LEU CA C 55.212 0.40 1 57 7 10 LEU CB C 43.894 0.40 1 58 7 10 LEU CG C 27.190 0.40 1 59 7 10 LEU CD1 C 25.099 0.40 1 60 7 10 LEU CD2 C 24.665 0.40 1 61 7 10 LEU N N 122.485 0.40 1 62 8 11 ALA H H 9.993 0.02 1 63 8 11 ALA HA H 5.232 0.02 1 64 8 11 ALA HB H 1.669 0.02 1 65 8 11 ALA C C 177.158 0.40 1 66 8 11 ALA CA C 51.779 0.40 1 67 8 11 ALA CB C 19.833 0.40 1 68 8 11 ALA N N 129.680 0.40 1 69 9 12 VAL H H 8.811 0.02 1 70 9 12 VAL HA H 5.526 0.02 1 71 9 12 VAL HB H 1.934 0.02 1 72 9 12 VAL HG1 H 0.789 0.02 1 73 9 12 VAL HG2 H 0.888 0.02 1 74 9 12 VAL C C 173.885 0.40 1 75 9 12 VAL CA C 59.885 0.40 1 76 9 12 VAL CB C 35.457 0.40 1 77 9 12 VAL CG1 C 21.091 0.40 1 78 9 12 VAL CG2 C 21.242 0.40 1 79 9 12 VAL N N 125.489 0.40 1 80 10 13 ALA H H 8.490 0.02 1 81 10 13 ALA HA H 5.456 0.02 1 82 10 13 ALA HB H 0.154 0.02 1 83 10 13 ALA C C 175.986 0.40 1 84 10 13 ALA CA C 49.062 0.40 1 85 10 13 ALA CB C 19.731 0.40 1 86 10 13 ALA N N 127.442 0.40 1 87 11 14 VAL H H 8.304 0.02 1 88 11 14 VAL HA H 5.326 0.02 1 89 11 14 VAL HB H 1.732 0.02 1 90 11 14 VAL HG1 H 0.822 0.02 1 91 11 14 VAL HG2 H 0.741 0.02 1 92 11 14 VAL C C 175.041 0.40 1 93 11 14 VAL CA C 59.891 0.40 1 94 11 14 VAL CB C 33.510 0.40 1 95 11 14 VAL CG1 C 21.938 0.40 1 96 11 14 VAL CG2 C 20.739 0.40 1 97 11 14 VAL N N 119.256 0.40 1 98 12 15 VAL H H 9.176 0.02 1 99 12 15 VAL HA H 5.305 0.02 1 100 12 15 VAL HB H 1.699 0.02 1 101 12 15 VAL HG1 H 0.809 0.02 1 102 12 15 VAL HG2 H 0.487 0.02 1 103 12 15 VAL C C 174.341 0.40 1 104 12 15 VAL CA C 60.763 0.40 1 105 12 15 VAL CB C 35.317 0.40 1 106 12 15 VAL CG1 C 23.289 0.40 1 107 12 15 VAL CG2 C 21.931 0.40 1 108 12 15 VAL N N 126.537 0.40 1 109 13 16 CYS H H 9.154 0.02 1 110 13 16 CYS HA H 5.350 0.02 1 111 13 16 CYS HB2 H 3.091 0.02 2 112 13 16 CYS HB3 H 3.762 0.02 2 113 13 16 CYS C C 174.423 0.40 1 114 13 16 CYS CA C 57.941 0.40 1 115 13 16 CYS CB C 33.094 0.40 1 116 13 16 CYS N N 126.123 0.40 1 117 14 17 SER HA H 4.878 0.02 1 118 14 17 SER HB2 H 4.251 0.02 2 119 14 17 SER HB3 H 4.053 0.02 2 120 14 17 SER CA C 61.371 0.40 1 121 14 17 SER CB C 64.034 0.40 1 122 15 18 SER HA H 5.037 0.02 1 123 15 18 SER HB2 H 4.189 0.02 2 124 15 18 SER HB3 H 4.413 0.02 2 125 15 18 SER C C 172.053 0.40 1 126 15 18 SER CA C 59.779 0.40 1 127 15 18 SER CB C 65.321 0.40 1 128 16 19 ASN H H 9.440 0.02 1 129 16 19 ASN HA H 3.947 0.02 1 130 16 19 ASN HB2 H 3.587 0.02 2 131 16 19 ASN HB3 H 2.777 0.02 2 132 16 19 ASN C C 172.192 0.40 1 133 16 19 ASN CA C 53.861 0.40 1 134 16 19 ASN CB C 39.865 0.40 1 135 16 19 ASN N N 121.869 0.40 1 136 17 20 MET H H 7.600 0.02 1 137 17 20 MET HA H 5.281 0.02 1 138 17 20 MET HB2 H 2.370 0.02 2 139 17 20 MET HB3 H 1.975 0.02 2 140 17 20 MET HG2 H 1.599 0.02 2 141 17 20 MET HG3 H 1.791 0.02 2 142 17 20 MET HE H 1.981 0.02 1 143 17 20 MET C C 174.309 0.40 1 144 17 20 MET CA C 62.040 0.40 1 145 17 20 MET CB C 32.543 0.40 1 146 17 20 MET CG C 28.144 0.40 1 147 17 20 MET CE C 17.744 0.40 1 148 17 20 MET N N 114.660 0.40 1 149 18 21 ASN HA H 5.134 0.02 1 150 18 21 ASN HB2 H 3.892 0.02 2 151 18 21 ASN HB3 H 2.947 0.02 2 152 18 21 ASN CA C 54.118 0.40 1 153 18 21 ASN CB C 39.778 0.40 1 154 19 22 ARG HA H 3.934 0.02 1 155 19 22 ARG C C 180.300 0.40 1 156 19 22 ARG CA C 61.575 0.40 1 157 19 22 ARG CB C 31.737 0.40 1 158 20 23 SER H H 9.273 0.02 1 159 20 23 SER HA H 3.978 0.02 1 160 20 23 SER HB2 H 4.094 0.02 2 161 20 23 SER HB3 H 4.094 0.02 2 162 20 23 SER C C 176.100 0.40 1 163 20 23 SER CA C 61.965 0.40 1 164 20 23 SER CB C 61.377 0.40 1 165 20 23 SER N N 111.693 0.40 1 166 21 24 MET H H 6.446 0.02 1 167 21 24 MET HA H 4.868 0.02 1 168 21 24 MET HE H 1.607 0.02 1 169 21 24 MET C C 178.689 0.40 1 170 21 24 MET CA C 55.573 0.40 1 171 21 24 MET CB C 31.290 0.40 1 172 21 24 MET CE C 17.259 0.40 1 173 21 24 MET N N 121.381 0.40 1 174 22 25 GLU H H 8.222 0.02 1 175 22 25 GLU HA H 4.285 0.02 1 176 22 25 GLU C C 179.259 0.40 1 177 22 25 GLU CA C 58.735 0.40 1 178 22 25 GLU CB C 29.746 0.40 1 179 22 25 GLU N N 122.778 0.40 1 180 23 26 ALA H H 7.261 0.02 1 181 23 26 ALA HA H 4.110 0.02 1 182 23 26 ALA HB H 1.490 0.02 1 183 23 26 ALA C C 177.810 0.40 1 184 23 26 ALA CA C 55.698 0.40 1 185 23 26 ALA CB C 18.047 0.40 1 186 23 26 ALA N N 118.593 0.40 1 187 24 27 HIS H H 8.972 0.02 1 188 24 27 HIS HA H 4.085 0.02 1 189 24 27 HIS HB2 H 3.390 0.02 2 190 24 27 HIS HB3 H 3.571 0.02 2 191 24 27 HIS HD2 H 7.004 0.02 1 192 24 27 HIS HE1 H 7.793 0.02 1 193 24 27 HIS C C 178.037 0.40 1 194 24 27 HIS CA C 58.941 0.40 1 195 24 27 HIS CB C 33.505 0.40 1 196 24 27 HIS N N 119.886 0.40 1 197 25 28 ASN H H 8.385 0.02 1 198 25 28 ASN HA H 4.397 0.02 1 199 25 28 ASN HB2 H 2.817 0.02 2 200 25 28 ASN HB3 H 3.263 0.02 2 201 25 28 ASN C C 176.719 0.40 1 202 25 28 ASN CA C 56.781 0.40 1 203 25 28 ASN CB C 39.483 0.40 1 204 25 28 ASN N N 116.055 0.40 1 205 26 29 PHE H H 7.901 0.02 1 206 26 29 PHE HA H 4.240 0.02 1 207 26 29 PHE HB2 H 3.270 0.02 2 208 26 29 PHE HB3 H 3.235 0.02 2 209 26 29 PHE HD1 H 7.393 0.02 3 210 26 29 PHE HD2 H 7.393 0.02 3 211 26 29 PHE HE1 H 7.270 0.02 3 212 26 29 PHE HE2 H 7.270 0.02 3 213 26 29 PHE HZ H 7.569 0.02 1 214 26 29 PHE C C 178.689 0.40 1 215 26 29 PHE CA C 61.647 0.40 1 216 26 29 PHE CB C 39.839 0.40 1 217 26 29 PHE CD1 C 131.470 0.40 3 218 26 29 PHE N N 118.518 0.40 1 219 27 30 LEU H H 9.061 0.02 1 220 27 30 LEU HA H 4.182 0.02 1 221 27 30 LEU HB2 H 2.144 0.02 2 222 27 30 LEU HB3 H 1.227 0.02 2 223 27 30 LEU HG H 2.012 0.02 1 224 27 30 LEU HD1 H 0.642 0.02 1 225 27 30 LEU HD2 H 0.642 0.02 1 226 27 30 LEU C C 179.698 0.40 1 227 27 30 LEU CA C 58.404 0.40 1 228 27 30 LEU CB C 42.709 0.40 1 229 27 30 LEU CG C 27.424 0.40 1 230 27 30 LEU CD1 C 26.685 0.40 1 231 27 30 LEU CD2 C 25.883 0.40 1 232 27 30 LEU N N 119.437 0.40 1 233 28 31 ALA H H 9.128 0.02 1 234 28 31 ALA HA H 4.505 0.02 1 235 28 31 ALA HB H 1.744 0.02 1 236 28 31 ALA C C 182.759 0.40 1 237 28 31 ALA CA C 55.220 0.40 1 238 28 31 ALA CB C 17.990 0.40 1 239 28 31 ALA N N 122.379 0.40 1 240 29 32 LYS H H 7.961 0.02 1 241 29 32 LYS HA H 4.200 0.02 1 242 29 32 LYS HB2 H 2.068 0.02 2 243 29 32 LYS HB3 H 1.983 0.02 2 244 29 32 LYS HG2 H 1.625 0.02 2 245 29 32 LYS HG3 H 1.817 0.02 2 246 29 32 LYS HD2 H 1.837 0.02 2 247 29 32 LYS HD3 H 1.931 0.02 2 248 29 32 LYS HE2 H 3.085 0.02 2 249 29 32 LYS HE3 H 3.085 0.02 2 250 29 32 LYS C C 178.526 0.40 1 251 29 32 LYS CA C 59.110 0.40 1 252 29 32 LYS CB C 32.405 0.40 1 253 29 32 LYS CG C 27.429 0.40 1 254 29 32 LYS CD C 31.187 0.40 1 255 29 32 LYS CE C 42.000 0.40 1 256 29 32 LYS N N 120.121 0.40 1 257 30 33 LYS H H 7.474 0.02 1 258 30 33 LYS HA H 4.384 0.02 1 259 30 33 LYS HB2 H 2.246 0.02 2 260 30 33 LYS HB3 H 2.098 0.02 2 261 30 33 LYS HG2 H 1.579 0.02 2 262 30 33 LYS HG3 H 1.579 0.02 2 263 30 33 LYS HD2 H 1.683 0.02 2 264 30 33 LYS HD3 H 1.683 0.02 2 265 30 33 LYS HE2 H 2.875 0.02 2 266 30 33 LYS HE3 H 2.875 0.02 2 267 30 33 LYS C C 176.214 0.40 1 268 30 33 LYS CA C 55.198 0.40 1 269 30 33 LYS CB C 32.803 0.40 1 270 30 33 LYS CG C 25.213 0.40 1 271 30 33 LYS CD C 28.859 0.40 1 272 30 33 LYS CE C 42.173 0.40 1 273 30 33 LYS N N 117.008 0.40 1 274 31 34 GLY H H 7.828 0.02 1 275 31 34 GLY HA2 H 4.144 0.02 2 276 31 34 GLY HA3 H 3.772 0.02 2 277 31 34 GLY C C 174.667 0.40 1 278 31 34 GLY CA C 45.325 0.40 1 279 31 34 GLY N N 106.065 0.40 1 280 32 35 PHE H H 7.789 0.02 1 281 32 35 PHE HA H 4.501 0.02 1 282 32 35 PHE HB2 H 2.952 0.02 2 283 32 35 PHE HB3 H 2.638 0.02 2 284 32 35 PHE HD1 H 7.574 0.02 3 285 32 35 PHE HD2 H 7.574 0.02 3 286 32 35 PHE HE1 H 7.259 0.02 3 287 32 35 PHE HE2 H 7.259 0.02 3 288 32 35 PHE HZ H 7.430 0.02 1 289 32 35 PHE C C 175.286 0.40 1 290 32 35 PHE CA C 58.844 0.40 1 291 32 35 PHE CB C 39.662 0.40 1 292 32 35 PHE CD1 C 132.365 0.40 3 293 32 35 PHE N N 118.056 0.40 1 294 33 36 ASN H H 9.509 0.02 1 295 33 36 ASN HA H 4.897 0.02 1 296 33 36 ASN HB2 H 3.665 0.02 2 297 33 36 ASN HB3 H 2.973 0.02 2 298 33 36 ASN C C 173.218 0.40 1 299 33 36 ASN CA C 52.614 0.40 1 300 33 36 ASN CB C 37.071 0.40 1 301 33 36 ASN N N 122.325 0.40 1 302 34 37 VAL H H 7.774 0.02 1 303 34 37 VAL HA H 5.565 0.02 1 304 34 37 VAL HB H 1.574 0.02 1 305 34 37 VAL HG1 H 0.880 0.02 1 306 34 37 VAL HG2 H 0.638 0.02 1 307 34 37 VAL C C 172.957 0.40 1 308 34 37 VAL CA C 58.026 0.40 1 309 34 37 VAL CB C 34.981 0.40 1 310 34 37 VAL CG1 C 18.472 0.40 1 311 34 37 VAL CG2 C 23.039 0.40 1 312 34 37 VAL N N 122.875 0.40 1 313 35 38 ARG H H 8.253 0.02 1 314 35 38 ARG HA H 4.422 0.02 1 315 35 38 ARG HB2 H 2.237 0.02 2 316 35 38 ARG HB3 H 2.237 0.02 2 317 35 38 ARG HG2 H 1.987 0.02 2 318 35 38 ARG HG3 H 2.100 0.02 2 319 35 38 ARG HD2 H 3.628 0.02 2 320 35 38 ARG HD3 H 3.491 0.02 2 321 35 38 ARG C C 173.397 0.40 1 322 35 38 ARG CA C 53.934 0.40 1 323 35 38 ARG CB C 35.954 0.40 1 324 35 38 ARG CG C 28.695 0.40 1 325 35 38 ARG CD C 43.058 0.40 1 326 35 38 ARG N N 125.778 0.40 1 327 36 39 SER H H 8.444 0.02 1 328 36 39 SER HA H 5.633 0.02 1 329 36 39 SER HB2 H 3.747 0.02 2 330 36 39 SER HB3 H 3.590 0.02 2 331 36 39 SER C C 172.029 0.40 1 332 36 39 SER CA C 55.968 0.40 1 333 36 39 SER CB C 64.550 0.40 1 334 36 39 SER N N 113.397 0.40 1 335 37 40 TYR H H 8.149 0.02 1 336 37 40 TYR HA H 5.248 0.02 1 337 37 40 TYR HB2 H 3.472 0.02 2 338 37 40 TYR HB3 H 2.498 0.02 2 339 37 40 TYR C C 174.618 0.40 1 340 37 40 TYR CA C 56.432 0.40 1 341 37 40 TYR CB C 47.169 0.40 1 342 37 40 TYR N N 112.536 0.40 1 343 38 41 GLY H H 9.320 0.02 1 344 38 41 GLY HA2 H 5.556 0.02 2 345 38 41 GLY HA3 H 3.500 0.02 2 346 38 41 GLY C C 174.406 0.40 1 347 38 41 GLY CA C 43.866 0.40 1 348 38 41 GLY N N 105.745 0.40 1 349 39 42 THR H H 8.589 0.02 1 350 39 42 THR HA H 5.440 0.02 1 351 39 42 THR HB H 4.584 0.02 1 352 39 42 THR HG2 H 1.125 0.02 1 353 39 42 THR C C 177.061 0.40 1 354 39 42 THR CA C 61.146 0.40 1 355 39 42 THR CB C 71.350 0.40 1 356 39 42 THR CG2 C 23.382 0.40 1 357 39 42 THR N N 108.428 0.40 1 358 40 43 GLY H H 9.216 0.02 1 359 40 43 GLY C C 172.452 0.40 1 360 40 43 GLY CA C 45.099 0.40 1 361 40 43 GLY N N 111.193 0.40 1 362 41 44 GLU HA H 4.254 0.02 1 363 41 44 GLU HB2 H 2.202 0.02 2 364 41 44 GLU HB3 H 2.118 0.02 2 365 41 44 GLU HG2 H 2.523 0.02 2 366 41 44 GLU HG3 H 2.426 0.02 2 367 41 44 GLU C C 177.871 0.40 1 368 41 44 GLU CA C 59.258 0.40 1 369 41 44 GLU CB C 30.676 0.40 1 370 41 44 GLU CG C 37.155 0.40 1 371 42 45 ARG H H 8.018 0.02 1 372 42 45 ARG HA H 4.578 0.02 1 373 42 45 ARG HB2 H 1.987 0.02 2 374 42 45 ARG HB3 H 1.553 0.02 2 375 42 45 ARG HG2 H 1.674 0.02 2 376 42 45 ARG HG3 H 1.559 0.02 2 377 42 45 ARG HD2 H 3.130 0.02 2 378 42 45 ARG HD3 H 3.034 0.02 2 379 42 45 ARG C C 172.974 0.40 1 380 42 45 ARG CA C 54.357 0.40 1 381 42 45 ARG CB C 34.099 0.40 1 382 42 45 ARG CG C 27.581 0.40 1 383 42 45 ARG CD C 43.276 0.40 1 384 42 45 ARG N N 115.530 0.40 1 385 43 46 VAL H H 8.615 0.02 1 386 43 46 VAL HA H 3.550 0.02 1 387 43 46 VAL HB H 1.861 0.02 1 388 43 46 VAL HG1 H 0.791 0.02 1 389 43 46 VAL HG2 H -0.053 0.02 1 390 43 46 VAL C C 174.325 0.40 1 391 43 46 VAL CA C 62.566 0.40 1 392 43 46 VAL CB C 32.498 0.40 1 393 43 46 VAL CG1 C 21.761 0.40 1 394 43 46 VAL CG2 C 19.022 0.40 1 395 43 46 VAL N N 122.311 0.40 1 396 44 47 LYS H H 8.376 0.02 1 397 44 47 LYS HA H 5.315 0.02 1 398 44 47 LYS HB2 H 1.693 0.02 2 399 44 47 LYS HB3 H 1.745 0.02 2 400 44 47 LYS HG2 H 1.271 0.02 2 401 44 47 LYS HG3 H 1.404 0.02 2 402 44 47 LYS HD2 H 1.680 0.02 2 403 44 47 LYS HD3 H 1.680 0.02 2 404 44 47 LYS HE2 H 2.918 0.02 2 405 44 47 LYS HE3 H 2.918 0.02 2 406 44 47 LYS C C 175.041 0.40 1 407 44 47 LYS CA C 55.283 0.40 1 408 44 47 LYS CB C 35.197 0.40 1 409 44 47 LYS CG C 25.495 0.40 1 410 44 47 LYS CD C 30.047 0.40 1 411 44 47 LYS CE C 41.917 0.40 1 412 44 47 LYS N N 125.907 0.40 1 413 45 48 LEU H H 9.275 0.02 1 414 45 48 LEU HA H 5.114 0.02 1 415 45 48 LEU HB2 H 1.793 0.02 2 416 45 48 LEU HB3 H 1.899 0.02 2 417 45 48 LEU HG H 1.885 0.02 1 418 45 48 LEU HD1 H 1.110 0.02 1 419 45 48 LEU HD2 H 1.155 0.02 1 420 45 48 LEU C C 173.625 0.40 1 421 45 48 LEU CA C 52.248 0.40 1 422 45 48 LEU CB C 44.485 0.40 1 423 45 48 LEU CG C 28.407 0.40 1 424 45 48 LEU CD1 C 26.985 0.40 1 425 45 48 LEU CD2 C 25.899 0.40 1 426 45 48 LEU N N 125.237 0.40 1 427 46 49 PRO HA H 4.452 0.02 1 428 46 49 PRO HB2 H 2.597 0.02 2 429 46 49 PRO HB3 H 2.597 0.02 2 430 46 49 PRO HG2 H 2.329 0.02 2 431 46 49 PRO HG3 H 2.242 0.02 2 432 46 49 PRO HD2 H 4.093 0.02 2 433 46 49 PRO HD3 H 3.780 0.02 2 434 46 49 PRO C C 176.293 0.40 1 435 46 49 PRO CA C 63.930 0.40 1 436 46 49 PRO CB C 32.936 0.40 1 437 46 49 PRO CG C 27.876 0.40 1 438 46 49 PRO CD C 50.940 0.40 1 439 47 50 GLY H H 8.747 0.02 1 440 47 50 GLY HA2 H 4.055 0.02 2 441 47 50 GLY HA3 H 5.067 0.02 2 442 47 50 GLY C C 174.667 0.40 1 443 47 50 GLY CA C 43.767 0.40 1 444 47 50 GLY N N 108.728 0.40 1 445 48 51 MET HA H 4.030 0.02 1 446 48 51 MET HB2 H 1.609 0.02 2 447 48 51 MET HB3 H 2.184 0.02 2 448 48 51 MET HG2 H 1.832 0.02 2 449 48 51 MET HG3 H 1.653 0.02 2 450 48 51 MET HE H 1.791 0.02 1 451 48 51 MET C C 175.565 0.40 1 452 48 51 MET CA C 56.882 0.40 1 453 48 51 MET CB C 32.021 0.40 1 454 48 51 MET CG C 32.792 0.40 1 455 48 51 MET CE C 17.259 0.40 1 456 49 52 ALA H H 7.707 0.02 1 457 49 52 ALA HA H 4.704 0.02 1 458 49 52 ALA HB H 1.447 0.02 1 459 49 52 ALA C C 179.194 0.40 1 460 49 52 ALA CA C 50.902 0.40 1 461 49 52 ALA CB C 22.146 0.40 1 462 49 52 ALA N N 118.797 0.40 1 463 50 53 PHE HA H 4.360 0.02 1 464 50 53 PHE HB2 H 3.332 0.02 2 465 50 53 PHE HB3 H 3.222 0.02 2 466 50 53 PHE HD1 H 7.362 0.02 3 467 50 53 PHE HD2 H 7.362 0.02 3 468 50 53 PHE HE1 H 7.468 0.02 3 469 50 53 PHE HE2 H 7.468 0.02 3 470 50 53 PHE HZ H 7.141 0.02 1 471 50 53 PHE C C 175.225 0.40 1 472 50 53 PHE CA C 60.306 0.40 1 473 50 53 PHE CB C 38.664 0.40 1 474 50 53 PHE CD1 C 132.269 0.40 3 475 51 54 ASP H H 8.293 0.02 1 476 51 54 ASP HA H 4.470 0.02 1 477 51 54 ASP HB2 H 2.305 0.02 2 478 51 54 ASP HB3 H 2.785 0.02 2 479 51 54 ASP C C 175.302 0.40 1 480 51 54 ASP CA C 52.585 0.40 1 481 51 54 ASP CB C 39.761 0.40 1 482 51 54 ASP N N 115.834 0.40 1 483 52 55 LYS H H 7.468 0.02 1 484 52 55 LYS HA H 4.876 0.02 1 485 52 55 LYS HB2 H 1.900 0.02 2 486 52 55 LYS HB3 H 1.573 0.02 2 487 52 55 LYS HG2 H 1.326 0.02 2 488 52 55 LYS HG3 H 1.404 0.02 2 489 52 55 LYS HD2 H 1.761 0.02 2 490 52 55 LYS HD3 H 1.603 0.02 2 491 52 55 LYS HE2 H 2.983 0.02 2 492 52 55 LYS HE3 H 2.983 0.02 2 493 52 55 LYS C C 172.632 0.40 1 494 52 55 LYS CA C 53.463 0.40 1 495 52 55 LYS CB C 33.475 0.40 1 496 52 55 LYS CG C 24.124 0.40 1 497 52 55 LYS CD C 29.275 0.40 1 498 52 55 LYS CE C 42.314 0.40 1 499 52 55 LYS N N 119.140 0.40 1 500 53 56 PRO HA H 4.689 0.02 1 501 53 56 PRO HB2 H 2.297 0.02 2 502 53 56 PRO HB3 H 1.800 0.02 2 503 53 56 PRO HG2 H 1.737 0.02 2 504 53 56 PRO HG3 H 1.964 0.02 2 505 53 56 PRO HD2 H 3.580 0.02 2 506 53 56 PRO HD3 H 3.353 0.02 2 507 53 56 PRO CA C 63.159 0.40 1 508 53 56 PRO CB C 32.151 0.40 1 509 53 56 PRO CG C 26.622 0.40 1 510 53 56 PRO CD C 50.148 0.40 1 511 54 57 ASN H H 8.771 0.02 1 512 54 57 ASN HA H 4.712 0.02 1 513 54 57 ASN HB2 H 2.781 0.02 2 514 54 57 ASN HB3 H 2.658 0.02 2 515 54 57 ASN C C 172.892 0.40 1 516 54 57 ASN CA C 53.526 0.40 1 517 54 57 ASN CB C 41.054 0.40 1 518 54 57 ASN N N 118.944 0.40 1 519 55 58 VAL H H 7.900 0.02 1 520 55 58 VAL HA H 5.115 0.02 1 521 55 58 VAL HB H 1.713 0.02 1 522 55 58 VAL HG1 H 0.803 0.02 1 523 55 58 VAL HG2 H 0.780 0.02 1 524 55 58 VAL C C 174.504 0.40 1 525 55 58 VAL CA C 60.479 0.40 1 526 55 58 VAL CB C 34.449 0.40 1 527 55 58 VAL CG1 C 22.019 0.40 1 528 55 58 VAL CG2 C 20.700 0.40 1 529 55 58 VAL N N 122.171 0.40 1 530 56 59 TYR H H 9.018 0.02 1 531 56 59 TYR HA H 4.778 0.02 1 532 56 59 TYR HD1 H 6.889 0.02 3 533 56 59 TYR HD2 H 6.889 0.02 3 534 56 59 TYR HE1 H 6.474 0.02 3 535 56 59 TYR HE2 H 6.474 0.02 3 536 56 59 TYR C C 174.618 0.40 1 537 56 59 TYR CA C 55.801 0.40 1 538 56 59 TYR CB C 41.854 0.40 1 539 56 59 TYR CD1 C 133.791 0.40 3 540 56 59 TYR N N 123.069 0.40 1 541 57 60 GLU H H 8.871 0.02 1 542 57 60 GLU HA H 4.662 0.02 1 543 57 60 GLU HB2 H 1.812 0.02 2 544 57 60 GLU HB3 H 1.812 0.02 2 545 57 60 GLU HG2 H 2.553 0.02 2 546 57 60 GLU HG3 H 2.413 0.02 2 547 57 60 GLU C C 180.464 0.40 1 548 57 60 GLU CA C 55.734 0.40 1 549 57 60 GLU CB C 30.032 0.40 1 550 57 60 GLU CG C 36.403 0.40 1 551 57 60 GLU N N 119.599 0.40 1 552 58 61 PHE H H 9.552 0.02 1 553 58 61 PHE HA H 3.922 0.02 1 554 58 61 PHE HB2 H 3.082 0.02 2 555 58 61 PHE HB3 H 3.035 0.02 2 556 58 61 PHE HD1 H 7.003 0.02 3 557 58 61 PHE HD2 H 7.003 0.02 3 558 58 61 PHE HE1 H 7.345 0.02 3 559 58 61 PHE HE2 H 7.345 0.02 3 560 58 61 PHE C C 176.425 0.40 1 561 58 61 PHE CA C 62.837 0.40 1 562 58 61 PHE CB C 38.658 0.40 1 563 58 61 PHE N N 123.267 0.40 1 564 59 62 GLY H H 7.944 0.02 1 565 59 62 GLY C C 173.967 0.40 1 566 59 62 GLY CA C 45.076 0.40 1 567 59 62 GLY N N 108.658 0.40 1 568 60 63 THR H H 7.401 0.02 1 569 60 63 THR HA H 4.162 0.02 1 570 60 63 THR HB H 3.821 0.02 1 571 60 63 THR HG2 H 1.328 0.02 1 572 60 63 THR C C 173.136 0.40 1 573 60 63 THR CA C 63.365 0.40 1 574 60 63 THR CB C 69.304 0.40 1 575 60 63 THR CG2 C 21.702 0.40 1 576 60 63 THR N N 118.611 0.40 1 577 61 64 LYS H H 9.111 0.02 1 578 61 64 LYS HA H 4.260 0.02 1 579 61 64 LYS C C 179.340 0.40 1 580 61 64 LYS CA C 57.471 0.40 1 581 61 64 LYS CB C 32.320 0.40 1 582 61 64 LYS N N 124.822 0.40 1 583 62 65 TYR H H 8.425 0.02 1 584 62 65 TYR HA H 4.116 0.02 1 585 62 65 TYR HB2 H 2.827 0.02 2 586 62 65 TYR HB3 H 2.827 0.02 2 587 62 65 TYR HD1 H 7.220 0.02 3 588 62 65 TYR HD2 H 7.220 0.02 3 589 62 65 TYR HE1 H 6.902 0.02 3 590 62 65 TYR HE2 H 6.902 0.02 3 591 62 65 TYR C C 178.738 0.40 1 592 62 65 TYR CA C 62.507 0.40 1 593 62 65 TYR CB C 37.963 0.40 1 594 62 65 TYR N N 121.669 0.40 1 595 63 66 GLU H H 9.634 0.02 1 596 63 66 GLU HA H 4.080 0.02 1 597 63 66 GLU HB2 H 1.925 0.02 2 598 63 66 GLU HB3 H 1.925 0.02 2 599 63 66 GLU HG2 H 2.383 0.02 2 600 63 66 GLU HG3 H 2.221 0.02 2 601 63 66 GLU C C 177.207 0.40 1 602 63 66 GLU CA C 59.103 0.40 1 603 63 66 GLU CB C 30.360 0.40 1 604 63 66 GLU CG C 35.850 0.40 1 605 63 66 GLU N N 116.712 0.40 1 606 64 67 ASP H H 7.040 0.02 1 607 64 67 ASP HA H 4.669 0.02 1 608 64 67 ASP HB2 H 2.841 0.02 2 609 64 67 ASP HB3 H 2.754 0.02 2 610 64 67 ASP C C 179.014 0.40 1 611 64 67 ASP CA C 57.141 0.40 1 612 64 67 ASP CB C 40.053 0.40 1 613 64 67 ASP N N 120.415 0.40 1 614 65 68 ILE H H 7.697 0.02 1 615 65 68 ILE HA H 3.228 0.02 1 616 65 68 ILE HB H 1.735 0.02 1 617 65 68 ILE HG12 H 1.331 0.02 2 618 65 68 ILE HG13 H -0.651 0.02 2 619 65 68 ILE HG2 H 0.483 0.02 1 620 65 68 ILE HD1 H 0.240 0.02 1 621 65 68 ILE C C 176.735 0.40 1 622 65 68 ILE CA C 65.709 0.40 1 623 65 68 ILE CB C 37.388 0.40 1 624 65 68 ILE CG1 C 27.654 0.40 1 625 65 68 ILE CG2 C 17.578 0.40 1 626 65 68 ILE CD1 C 13.583 0.40 1 627 65 68 ILE N N 124.493 0.40 1 628 66 69 TYR H H 8.572 0.02 1 629 66 69 TYR HA H 3.623 0.02 1 630 66 69 TYR HB2 H 3.521 0.02 2 631 66 69 TYR HB3 H 2.777 0.02 2 632 66 69 TYR HD1 H 6.917 0.02 3 633 66 69 TYR HD2 H 6.917 0.02 3 634 66 69 TYR HE1 H 6.851 0.02 3 635 66 69 TYR HE2 H 6.851 0.02 3 636 66 69 TYR C C 176.572 0.40 1 637 66 69 TYR CA C 61.788 0.40 1 638 66 69 TYR CB C 38.291 0.40 1 639 66 69 TYR CD1 C 133.364 0.40 3 640 66 69 TYR N N 120.107 0.40 1 641 67 70 ARG H H 7.929 0.02 1 642 67 70 ARG HA H 4.264 0.02 1 643 67 70 ARG HB2 H 2.101 0.02 2 644 67 70 ARG HB3 H 1.929 0.02 2 645 67 70 ARG HG2 H 1.927 0.02 2 646 67 70 ARG HG3 H 2.116 0.02 2 647 67 70 ARG HD2 H 3.415 0.02 2 648 67 70 ARG HD3 H 3.370 0.02 2 649 67 70 ARG C C 179.080 0.40 1 650 67 70 ARG CA C 59.118 0.40 1 651 67 70 ARG CB C 30.360 0.40 1 652 67 70 ARG CG C 28.066 0.40 1 653 67 70 ARG CD C 43.349 0.40 1 654 67 70 ARG N N 116.652 0.40 1 655 68 71 ASP H H 7.969 0.02 1 656 68 71 ASP HA H 4.476 0.02 1 657 68 71 ASP HB2 H 2.800 0.02 2 658 68 71 ASP HB3 H 2.935 0.02 2 659 68 71 ASP C C 178.379 0.40 1 660 68 71 ASP CA C 57.828 0.40 1 661 68 71 ASP CB C 42.188 0.40 1 662 68 71 ASP N N 120.897 0.40 1 663 69 72 LEU H H 8.285 0.02 1 664 69 72 LEU HA H 3.686 0.02 1 665 69 72 LEU HB2 H 0.641 0.02 2 666 69 72 LEU HB3 H 1.469 0.02 2 667 69 72 LEU HG H 1.672 0.02 1 668 69 72 LEU HD1 H 0.452 0.02 1 669 69 72 LEU HD2 H 0.129 0.02 1 670 69 72 LEU C C 178.966 0.40 1 671 69 72 LEU CA C 58.012 0.40 1 672 69 72 LEU CB C 39.930 0.40 1 673 69 72 LEU CG C 25.737 0.40 1 674 69 72 LEU CD1 C 26.418 0.40 1 675 69 72 LEU CD2 C 21.525 0.40 1 676 69 72 LEU N N 118.744 0.40 1 677 70 73 GLU H H 8.686 0.02 1 678 70 73 GLU HA H 3.631 0.02 1 679 70 73 GLU HB2 H 2.154 0.02 2 680 70 73 GLU HB3 H 1.982 0.02 2 681 70 73 GLU HG2 H 2.153 0.02 2 682 70 73 GLU HG3 H 2.240 0.02 2 683 70 73 GLU C C 177.500 0.40 1 684 70 73 GLU CA C 60.053 0.40 1 685 70 73 GLU CB C 30.335 0.40 1 686 70 73 GLU CG C 37.587 0.40 1 687 70 73 GLU N N 118.950 0.40 1 688 71 74 SER H H 7.836 0.02 1 689 71 74 SER HA H 4.386 0.02 1 690 71 74 SER HB2 H 4.144 0.02 2 691 71 74 SER HB3 H 4.144 0.02 2 692 71 74 SER C C 176.002 0.40 1 693 71 74 SER CA C 60.588 0.40 1 694 71 74 SER CB C 63.409 0.40 1 695 71 74 SER N N 111.722 0.40 1 696 72 75 LYS H H 7.855 0.02 1 697 72 75 LYS HA H 4.200 0.02 1 698 72 75 LYS HB2 H 2.011 0.02 2 699 72 75 LYS HB3 H 2.159 0.02 2 700 72 75 LYS HG2 H 1.737 0.02 2 701 72 75 LYS HG3 H 1.737 0.02 2 702 72 75 LYS HD2 H 1.501 0.02 2 703 72 75 LYS HD3 H 1.746 0.02 2 704 72 75 LYS HE2 H 3.042 0.02 2 705 72 75 LYS HE3 H 3.042 0.02 2 706 72 75 LYS C C 177.907 0.40 1 707 72 75 LYS CA C 59.898 0.40 1 708 72 75 LYS CB C 33.979 0.40 1 709 72 75 LYS CG C 25.672 0.40 1 710 72 75 LYS CD C 29.312 0.40 1 711 72 75 LYS CE C 42.006 0.40 1 712 72 75 LYS N N 123.667 0.40 1 713 73 76 ASP H H 7.993 0.02 1 714 73 76 ASP HA H 4.574 0.02 1 715 73 76 ASP HB2 H 2.931 0.02 2 716 73 76 ASP HB3 H 3.063 0.02 2 717 73 76 ASP C C 173.446 0.40 1 718 73 76 ASP CA C 55.249 0.40 1 719 73 76 ASP CB C 40.828 0.40 1 720 73 76 ASP N N 114.447 0.40 1 721 74 77 LYS H H 8.876 0.02 1 722 74 77 LYS HA H 3.956 0.02 1 723 74 77 LYS HB2 H 2.388 0.02 2 724 74 77 LYS HB3 H 2.388 0.02 2 725 74 77 LYS HG2 H 1.447 0.02 2 726 74 77 LYS HG3 H 1.376 0.02 2 727 74 77 LYS HD2 H 1.810 0.02 2 728 74 77 LYS HD3 H 1.810 0.02 2 729 74 77 LYS HE2 H 3.053 0.02 2 730 74 77 LYS HE3 H 3.053 0.02 2 731 74 77 LYS C C 179.112 0.40 1 732 74 77 LYS CA C 61.050 0.40 1 733 74 77 LYS CB C 32.300 0.40 1 734 74 77 LYS CG C 25.064 0.40 1 735 74 77 LYS CD C 29.985 0.40 1 736 74 77 LYS CE C 42.000 0.40 1 737 74 77 LYS N N 128.277 0.40 1 738 75 78 GLU H H 8.653 0.02 1 739 75 78 GLU HA H 4.172 0.02 1 740 75 78 GLU HB2 H 2.179 0.02 2 741 75 78 GLU HB3 H 2.179 0.02 2 742 75 78 GLU HG2 H 2.390 0.02 2 743 75 78 GLU HG3 H 2.390 0.02 2 744 75 78 GLU C C 178.917 0.40 1 745 75 78 GLU CA C 59.984 0.40 1 746 75 78 GLU CB C 29.200 0.40 1 747 75 78 GLU CG C 36.720 0.40 1 748 75 78 GLU N N 119.982 0.40 1 749 76 79 PHE H H 8.574 0.02 1 750 76 79 PHE HA H 4.032 0.02 1 751 76 79 PHE HB2 H 2.457 0.02 2 752 76 79 PHE HB3 H 3.082 0.02 2 753 76 79 PHE HD1 H 6.229 0.02 3 754 76 79 PHE HD2 H 6.229 0.02 3 755 76 79 PHE HE1 H 7.029 0.02 3 756 76 79 PHE HE2 H 7.029 0.02 3 757 76 79 PHE HZ H 7.221 0.02 1 758 76 79 PHE C C 177.891 0.40 1 759 76 79 PHE CA C 61.907 0.40 1 760 76 79 PHE CB C 39.693 0.40 1 761 76 79 PHE CD1 C 132.218 0.40 3 762 76 79 PHE N N 123.621 0.40 1 763 77 80 TYR H H 7.992 0.02 1 764 77 80 TYR HA H 4.828 0.02 1 765 77 80 TYR HB2 H 3.142 0.02 2 766 77 80 TYR HB3 H 2.535 0.02 2 767 77 80 TYR HE1 H 7.101 0.02 3 768 77 80 TYR HE2 H 7.101 0.02 3 769 77 80 TYR C C 176.719 0.40 1 770 77 80 TYR CA C 60.651 0.40 1 771 77 80 TYR CB C 37.050 0.40 1 772 77 80 TYR N N 113.112 0.40 1 773 78 81 THR H H 7.866 0.02 1 774 78 81 THR HA H 4.349 0.02 1 775 78 81 THR HB H 4.500 0.02 1 776 78 81 THR HG2 H 1.305 0.02 1 777 78 81 THR C C 177.858 0.40 1 778 78 81 THR CA C 66.258 0.40 1 779 78 81 THR CB C 68.498 0.40 1 780 78 81 THR CG2 C 20.712 0.40 1 781 78 81 THR N N 118.052 0.40 1 782 79 82 GLN H H 8.320 0.02 1 783 79 82 GLN HA H 4.095 0.02 1 784 79 82 GLN HB2 H 2.176 0.02 2 785 79 82 GLN HB3 H 2.128 0.02 2 786 79 82 GLN HG2 H 2.629 0.02 2 787 79 82 GLN HG3 H 2.482 0.02 2 788 79 82 GLN C C 177.093 0.40 1 789 79 82 GLN CA C 58.949 0.40 1 790 79 82 GLN CB C 27.945 0.40 1 791 79 82 GLN CG C 33.684 0.40 1 792 79 82 GLN N N 122.852 0.40 1 793 80 83 ASN H H 7.702 0.02 1 794 80 83 ASN HA H 4.666 0.02 1 795 80 83 ASN HB2 H 3.117 0.02 2 796 80 83 ASN HB3 H 2.351 0.02 2 797 80 83 ASN C C 176.670 0.40 1 798 80 83 ASN CA C 51.886 0.40 1 799 80 83 ASN CB C 36.986 0.40 1 800 80 83 ASN N N 114.267 0.40 1 801 81 84 GLY H H 7.514 0.02 1 802 81 84 GLY HA2 H 4.297 0.02 2 803 81 84 GLY HA3 H 4.095 0.02 2 804 81 84 GLY C C 176.002 0.40 1 805 81 84 GLY CA C 45.753 0.40 1 806 81 84 GLY N N 105.253 0.40 1 807 82 85 LEU H H 8.305 0.02 1 808 82 85 LEU HA H 4.342 0.02 1 809 82 85 LEU HB2 H 2.366 0.02 2 810 82 85 LEU HB3 H 1.465 0.02 2 811 82 85 LEU HG H 1.906 0.02 1 812 82 85 LEU HD1 H 1.247 0.02 1 813 82 85 LEU HD2 H 1.090 0.02 1 814 82 85 LEU C C 179.454 0.40 1 815 82 85 LEU CA C 58.656 0.40 1 816 82 85 LEU CB C 41.393 0.40 1 817 82 85 LEU CG C 28.326 0.40 1 818 82 85 LEU CD1 C 26.340 0.40 1 819 82 85 LEU CD2 C 24.314 0.40 1 820 82 85 LEU N N 123.996 0.40 1 821 83 86 LEU H H 8.271 0.02 1 822 83 86 LEU HA H 4.042 0.02 1 823 83 86 LEU HB2 H 1.390 0.02 2 824 83 86 LEU HB3 H 1.726 0.02 2 825 83 86 LEU HG H 1.361 0.02 1 826 83 86 LEU HD1 H 0.754 0.02 1 827 83 86 LEU HD2 H 0.084 0.02 1 828 83 86 LEU C C 179.031 0.40 1 829 83 86 LEU CA C 58.936 0.40 1 830 83 86 LEU CB C 38.599 0.40 1 831 83 86 LEU CG C 27.100 0.40 1 832 83 86 LEU CD1 C 26.121 0.40 1 833 83 86 LEU CD2 C 22.483 0.40 1 834 83 86 LEU N N 117.599 0.40 1 835 84 87 HIS H H 8.286 0.02 1 836 84 87 HIS HA H 4.460 0.02 1 837 84 87 HIS HB2 H 3.236 0.02 2 838 84 87 HIS HB3 H 3.186 0.02 2 839 84 87 HIS HD2 H 7.065 0.02 1 840 84 87 HIS C C 178.168 0.40 1 841 84 87 HIS CA C 60.054 0.40 1 842 84 87 HIS CB C 30.592 0.40 1 843 84 87 HIS N N 119.476 0.40 1 844 85 88 MET H H 7.973 0.02 1 845 85 88 MET HA H 3.893 0.02 1 846 85 88 MET HB2 H 2.407 0.02 2 847 85 88 MET HB3 H 2.349 0.02 2 848 85 88 MET HG2 H 2.225 0.02 2 849 85 88 MET HG3 H 2.736 0.02 2 850 85 88 MET HE H 2.106 0.02 1 851 85 88 MET C C 178.086 0.40 1 852 85 88 MET CA C 59.284 0.40 1 853 85 88 MET CB C 33.966 0.40 1 854 85 88 MET CG C 31.127 0.40 1 855 85 88 MET CE C 16.553 0.40 1 856 85 88 MET N N 121.174 0.40 1 857 86 89 LEU H H 8.443 0.02 1 858 86 89 LEU HA H 3.813 0.02 1 859 86 89 LEU HB2 H 1.589 0.02 2 860 86 89 LEU HB3 H 2.387 0.02 2 861 86 89 LEU HG H 1.898 0.02 1 862 86 89 LEU HD1 H 0.903 0.02 1 863 86 89 LEU HD2 H 1.171 0.02 1 864 86 89 LEU C C 178.656 0.40 1 865 86 89 LEU CA C 57.992 0.40 1 866 86 89 LEU CB C 43.446 0.40 1 867 86 89 LEU CG C 28.311 0.40 1 868 86 89 LEU CD1 C 27.295 0.40 1 869 86 89 LEU CD2 C 24.975 0.40 1 870 86 89 LEU N N 119.808 0.40 1 871 87 90 ASP H H 8.625 0.02 1 872 87 90 ASP HA H 4.228 0.02 1 873 87 90 ASP HB2 H 2.798 0.02 2 874 87 90 ASP HB3 H 2.919 0.02 2 875 87 90 ASP C C 177.109 0.40 1 876 87 90 ASP CA C 57.381 0.40 1 877 87 90 ASP CB C 42.181 0.40 1 878 87 90 ASP N N 121.383 0.40 1 879 88 91 ARG H H 7.867 0.02 1 880 88 91 ARG HA H 3.800 0.02 1 881 88 91 ARG HB2 H 2.095 0.02 2 882 88 91 ARG HB3 H 1.779 0.02 2 883 88 91 ARG HG2 H 1.328 0.02 2 884 88 91 ARG HG3 H 1.988 0.02 2 885 88 91 ARG HD2 H 3.040 0.02 2 886 88 91 ARG HD3 H 3.162 0.02 2 887 88 91 ARG C C 180.105 0.40 1 888 88 91 ARG CA C 59.170 0.40 1 889 88 91 ARG CB C 27.733 0.40 1 890 88 91 ARG CG C 25.872 0.40 1 891 88 91 ARG CD C 42.437 0.40 1 892 88 91 ARG N N 119.477 0.40 1 893 89 92 ASN H H 8.280 0.02 1 894 89 92 ASN HA H 3.797 0.02 1 895 89 92 ASN HB2 H 0.710 0.02 2 896 89 92 ASN HB3 H 2.156 0.02 2 897 89 92 ASN C C 176.377 0.40 1 898 89 92 ASN CA C 55.640 0.40 1 899 89 92 ASN CB C 35.033 0.40 1 900 89 92 ASN N N 118.649 0.40 1 901 90 93 ARG H H 8.126 0.02 1 902 90 93 ARG HA H 4.757 0.02 1 903 90 93 ARG HB2 H 2.172 0.02 2 904 90 93 ARG HB3 H 2.172 0.02 2 905 90 93 ARG HG2 H 2.141 0.02 2 906 90 93 ARG HG3 H 1.713 0.02 2 907 90 93 ARG HD2 H 2.750 0.02 2 908 90 93 ARG HD3 H 3.183 0.02 2 909 90 93 ARG C C 176.849 0.40 1 910 90 93 ARG CA C 57.422 0.40 1 911 90 93 ARG CB C 29.495 0.40 1 912 90 93 ARG CG C 25.842 0.40 1 913 90 93 ARG CD C 44.136 0.40 1 914 90 93 ARG N N 116.910 0.40 1 915 91 94 ARG H H 7.199 0.02 1 916 91 94 ARG HA H 4.179 0.02 1 917 91 94 ARG HB2 H 1.984 0.02 2 918 91 94 ARG HB3 H 2.136 0.02 2 919 91 94 ARG HG2 H 1.642 0.02 2 920 91 94 ARG HG3 H 1.837 0.02 2 921 91 94 ARG HD2 H 3.229 0.02 2 922 91 94 ARG HD3 H 3.127 0.02 2 923 91 94 ARG C C 177.061 0.40 1 924 91 94 ARG CA C 57.431 0.40 1 925 91 94 ARG CB C 29.899 0.40 1 926 91 94 ARG CG C 28.399 0.40 1 927 91 94 ARG CD C 43.528 0.40 1 928 91 94 ARG N N 118.436 0.40 1 929 92 95 ILE H H 7.607 0.02 1 930 92 95 ILE HA H 3.815 0.02 1 931 92 95 ILE HB H 1.713 0.02 1 932 92 95 ILE HG12 H 1.665 0.02 2 933 92 95 ILE HG13 H 0.886 0.02 2 934 92 95 ILE HG2 H 0.167 0.02 1 935 92 95 ILE HD1 H 0.658 0.02 1 936 92 95 ILE C C 175.872 0.40 1 937 92 95 ILE CA C 63.838 0.40 1 938 92 95 ILE CB C 38.613 0.40 1 939 92 95 ILE CG1 C 28.208 0.40 1 940 92 95 ILE CG2 C 15.408 0.40 1 941 92 95 ILE CD1 C 13.874 0.40 1 942 92 95 ILE N N 120.983 0.40 1 943 93 96 LYS H H 8.410 0.02 1 944 93 96 LYS HA H 4.734 0.02 1 945 93 96 LYS HB2 H 2.289 0.02 2 946 93 96 LYS HB3 H 2.289 0.02 2 947 93 96 LYS C C 173.625 0.40 1 948 93 96 LYS CA C 55.511 0.40 1 949 93 96 LYS CB C 33.436 0.40 1 950 93 96 LYS N N 115.079 0.40 1 951 94 97 LYS H H 8.214 0.02 1 952 94 97 LYS HA H 4.381 0.02 1 953 94 97 LYS HB2 H 2.071 0.02 2 954 94 97 LYS HB3 H 1.935 0.02 2 955 94 97 LYS HG2 H 1.716 0.02 2 956 94 97 LYS HG3 H 1.569 0.02 2 957 94 97 LYS HD2 H 1.817 0.02 2 958 94 97 LYS HD3 H 1.817 0.02 2 959 94 97 LYS HE2 H 3.065 0.02 2 960 94 97 LYS HE3 H 3.065 0.02 2 961 94 97 LYS C C 179.177 0.40 1 962 94 97 LYS CA C 59.924 0.40 1 963 94 97 LYS CB C 34.355 0.40 1 964 94 97 LYS CG C 25.644 0.40 1 965 94 97 LYS CD C 29.901 0.40 1 966 94 97 LYS CE C 42.064 0.40 1 967 94 97 LYS N N 114.267 0.40 1 968 95 98 CYS H H 8.365 0.02 1 969 95 98 CYS HA H 4.400 0.02 1 970 95 98 CYS HB2 H 2.514 0.02 2 971 95 98 CYS HB3 H 2.326 0.02 2 972 95 98 CYS CA C 54.079 0.40 1 973 95 98 CYS CB C 31.178 0.40 1 974 95 98 CYS N N 114.051 0.40 1 975 96 99 PRO CA C 62.261 0.40 1 976 96 99 PRO CB C 32.448 0.40 1 977 97 100 GLU H H 9.261 0.02 1 978 97 100 GLU HA H 4.906 0.02 1 979 97 100 GLU HB2 H 2.139 0.02 2 980 97 100 GLU HB3 H 2.461 0.02 2 981 97 100 GLU HG2 H 2.266 0.02 2 982 97 100 GLU HG3 H 2.628 0.02 2 983 97 100 GLU C C 174.162 0.40 1 984 97 100 GLU CA C 55.398 0.40 1 985 97 100 GLU CB C 36.091 0.40 1 986 97 100 GLU CG C 38.225 0.40 1 987 97 100 GLU N N 123.787 0.40 1 988 98 101 ARG H H 9.219 0.02 1 989 98 101 ARG HA H 4.405 0.02 1 990 98 101 ARG HB2 H 0.512 0.02 2 991 98 101 ARG HB3 H 1.598 0.02 2 992 98 101 ARG HG2 H 0.920 0.02 2 993 98 101 ARG HG3 H 0.920 0.02 2 994 98 101 ARG HD2 H 2.909 0.02 2 995 98 101 ARG HD3 H 2.909 0.02 2 996 98 101 ARG C C 178.233 0.40 1 997 98 101 ARG CA C 55.169 0.40 1 998 98 101 ARG CB C 31.189 0.40 1 999 98 101 ARG CG C 28.450 0.40 1 1000 98 101 ARG CD C 43.332 0.40 1 1001 98 101 ARG N N 125.276 0.40 1 1002 99 102 PHE H H 9.747 0.02 1 1003 99 102 PHE HA H 3.357 0.02 1 1004 99 102 PHE HB2 H 2.450 0.02 2 1005 99 102 PHE HB3 H 2.847 0.02 2 1006 99 102 PHE HD1 H 6.427 0.02 3 1007 99 102 PHE HD2 H 6.427 0.02 3 1008 99 102 PHE HE1 H 7.138 0.02 3 1009 99 102 PHE HE2 H 7.138 0.02 3 1010 99 102 PHE HZ H 7.475 0.02 1 1011 99 102 PHE C C 176.751 0.40 1 1012 99 102 PHE CA C 61.719 0.40 1 1013 99 102 PHE CB C 39.638 0.40 1 1014 99 102 PHE CD1 C 130.983 0.40 3 1015 99 102 PHE N N 130.970 0.40 1 1016 100 103 GLN H H 10.545 0.02 1 1017 100 103 GLN HA H 2.388 0.02 1 1018 100 103 GLN HB2 H 1.396 0.02 2 1019 100 103 GLN HB3 H 1.824 0.02 2 1020 100 103 GLN HG2 H 2.778 0.02 2 1021 100 103 GLN HG3 H 1.518 0.02 2 1022 100 103 GLN C C 174.765 0.40 1 1023 100 103 GLN CA C 58.739 0.40 1 1024 100 103 GLN CB C 27.723 0.40 1 1025 100 103 GLN CG C 35.279 0.40 1 1026 100 103 GLN N N 117.288 0.40 1 1027 101 104 ASP H H 6.832 0.02 1 1028 101 104 ASP HA H 4.798 0.02 1 1029 101 104 ASP HB2 H 2.457 0.02 2 1030 101 104 ASP HB3 H 2.957 0.02 2 1031 101 104 ASP C C 176.425 0.40 1 1032 101 104 ASP CA C 53.966 0.40 1 1033 101 104 ASP CB C 42.500 0.40 1 1034 101 104 ASP N N 114.168 0.40 1 1035 102 105 THR H H 7.172 0.02 1 1036 102 105 THR HA H 4.569 0.02 1 1037 102 105 THR HB H 3.909 0.02 1 1038 102 105 THR HG2 H 0.819 0.02 1 1039 102 105 THR C C 173.853 0.40 1 1040 102 105 THR CA C 62.175 0.40 1 1041 102 105 THR CB C 70.047 0.40 1 1042 102 105 THR CG2 C 19.117 0.40 1 1043 102 105 THR N N 115.372 0.40 1 1044 103 106 LYS HA H 4.647 0.02 1 1045 103 106 LYS HB2 H 2.075 0.02 2 1046 103 106 LYS HB3 H 2.075 0.02 2 1047 103 106 LYS HG2 H 1.531 0.02 2 1048 103 106 LYS HG3 H 1.462 0.02 2 1049 103 106 LYS HD2 H 1.702 0.02 2 1050 103 106 LYS HD3 H 1.734 0.02 2 1051 103 106 LYS HE2 H 3.053 0.02 2 1052 103 106 LYS HE3 H 3.053 0.02 2 1053 103 106 LYS C C 177.082 0.40 1 1054 103 106 LYS CA C 54.921 0.40 1 1055 103 106 LYS CB C 32.168 0.40 1 1056 103 106 LYS CG C 24.894 0.40 1 1057 103 106 LYS CD C 28.514 0.40 1 1058 103 106 LYS CE C 41.345 0.40 1 1059 104 107 GLU H H 8.053 0.02 1 1060 104 107 GLU HA H 3.887 0.02 1 1061 104 107 GLU HB2 H 1.812 0.02 2 1062 104 107 GLU HB3 H 1.617 0.02 2 1063 104 107 GLU HG2 H 2.229 0.02 2 1064 104 107 GLU HG3 H 2.229 0.02 2 1065 104 107 GLU C C 174.097 0.40 1 1066 104 107 GLU CA C 56.475 0.40 1 1067 104 107 GLU CB C 30.869 0.40 1 1068 104 107 GLU CG C 35.964 0.40 1 1069 104 107 GLU N N 122.520 0.40 1 1070 105 108 GLN H H 7.784 0.02 1 1071 105 108 GLN HA H 3.951 0.02 1 1072 105 108 GLN HB2 H 1.303 0.02 2 1073 105 108 GLN HB3 H 0.807 0.02 2 1074 105 108 GLN HG2 H 1.875 0.02 2 1075 105 108 GLN HG3 H 1.043 0.02 2 1076 105 108 GLN C C 174.488 0.40 1 1077 105 108 GLN CA C 54.050 0.40 1 1078 105 108 GLN CB C 31.365 0.40 1 1079 105 108 GLN CG C 32.955 0.40 1 1080 105 108 GLN N N 117.957 0.40 1 1081 106 109 PHE H H 7.628 0.02 1 1082 106 109 PHE HA H 4.644 0.02 1 1083 106 109 PHE HD1 H 7.110 0.02 3 1084 106 109 PHE HD2 H 7.110 0.02 3 1085 106 109 PHE HE1 H 7.188 0.02 3 1086 106 109 PHE HE2 H 7.188 0.02 3 1087 106 109 PHE C C 173.641 0.40 1 1088 106 109 PHE CA C 57.512 0.40 1 1089 106 109 PHE CB C 42.865 0.40 1 1090 106 109 PHE N N 118.090 0.40 1 1091 107 110 ASP H H 9.414 0.02 1 1092 107 110 ASP HA H 5.222 0.02 1 1093 107 110 ASP HB2 H 2.820 0.02 2 1094 107 110 ASP HB3 H 3.024 0.02 2 1095 107 110 ASP C C 177.663 0.40 1 1096 107 110 ASP CA C 57.088 0.40 1 1097 107 110 ASP CB C 44.382 0.40 1 1098 107 110 ASP N N 117.015 0.40 1 1099 108 111 ILE H H 7.925 0.02 1 1100 108 111 ILE HA H 5.230 0.02 1 1101 108 111 ILE HB H 1.669 0.02 1 1102 108 111 ILE HG12 H 1.624 0.02 2 1103 108 111 ILE HG13 H 1.164 0.02 2 1104 108 111 ILE HG2 H 0.888 0.02 1 1105 108 111 ILE HD1 H 0.897 0.02 1 1106 108 111 ILE C C 173.706 0.40 1 1107 108 111 ILE CA C 59.715 0.40 1 1108 108 111 ILE CB C 43.798 0.40 1 1109 108 111 ILE CG1 C 27.947 0.40 1 1110 108 111 ILE CG2 C 18.136 0.40 1 1111 108 111 ILE CD1 C 14.913 0.40 1 1112 108 111 ILE N N 118.490 0.40 1 1113 109 112 ILE H H 9.348 0.02 1 1114 109 112 ILE HA H 4.760 0.02 1 1115 109 112 ILE HB H 1.637 0.02 1 1116 109 112 ILE HG12 H 0.755 0.02 2 1117 109 112 ILE HG13 H 0.755 0.02 2 1118 109 112 ILE HG2 H 0.504 0.02 1 1119 109 112 ILE HD1 H 1.025 0.02 1 1120 109 112 ILE C C 173.739 0.40 1 1121 109 112 ILE CA C 60.080 0.40 1 1122 109 112 ILE CB C 41.319 0.40 1 1123 109 112 ILE CG1 C 27.592 0.40 1 1124 109 112 ILE CG2 C 17.406 0.40 1 1125 109 112 ILE CD1 C 14.665 0.40 1 1126 109 112 ILE N N 127.648 0.40 1 1127 110 113 VAL H H 9.367 0.02 1 1128 110 113 VAL HA H 5.445 0.02 1 1129 110 113 VAL HB H 1.971 0.02 1 1130 110 113 VAL HG1 H 0.920 0.02 1 1131 110 113 VAL HG2 H 0.834 0.02 1 1132 110 113 VAL C C 175.237 0.40 1 1133 110 113 VAL CA C 59.910 0.40 1 1134 110 113 VAL CB C 34.064 0.40 1 1135 110 113 VAL CG1 C 21.528 0.40 1 1136 110 113 VAL CG2 C 22.025 0.40 1 1137 110 113 VAL N N 127.409 0.40 1 1138 111 114 THR H H 9.848 0.02 1 1139 111 114 THR HA H 5.440 0.02 1 1140 111 114 THR HB H 4.304 0.02 1 1141 111 114 THR HG2 H 0.940 0.02 1 1142 111 114 THR C C 175.676 0.40 1 1143 111 114 THR CA C 60.336 0.40 1 1144 111 114 THR CB C 70.431 0.40 1 1145 111 114 THR CG2 C 22.571 0.40 1 1146 111 114 THR N N 118.757 0.40 1 1147 112 115 VAL H H 6.663 0.02 1 1148 112 115 VAL HA H 5.581 0.02 1 1149 112 115 VAL HB H 2.809 0.02 1 1150 112 115 VAL HG1 H 0.750 0.02 1 1151 112 115 VAL HG2 H 1.092 0.02 1 1152 112 115 VAL C C 175.595 0.40 1 1153 112 115 VAL CA C 60.558 0.40 1 1154 112 115 VAL CB C 31.535 0.40 1 1155 112 115 VAL CG1 C 19.888 0.40 1 1156 112 115 VAL CG2 C 18.039 0.40 1 1157 112 115 VAL N N 105.410 0.40 1 1158 113 116 GLU H H 7.370 0.02 1 1159 113 116 GLU HA H 5.012 0.02 1 1160 113 116 GLU HB2 H 2.593 0.02 2 1161 113 116 GLU HB3 H 2.464 0.02 2 1162 113 116 GLU HG2 H 2.462 0.02 2 1163 113 116 GLU HG3 H 2.381 0.02 2 1164 113 116 GLU C C 177.288 0.40 1 1165 113 116 GLU CA C 56.552 0.40 1 1166 113 116 GLU CB C 33.037 0.40 1 1167 113 116 GLU CG C 37.332 0.40 1 1168 113 116 GLU N N 115.458 0.40 1 1169 114 117 GLU H H 9.201 0.02 1 1170 114 117 GLU HA H 3.751 0.02 1 1171 114 117 GLU HB2 H 2.116 0.02 2 1172 114 117 GLU HB3 H 2.076 0.02 2 1173 114 117 GLU HG2 H 2.311 0.02 2 1174 114 117 GLU HG3 H 2.238 0.02 2 1175 114 117 GLU C C 176.963 0.40 1 1176 114 117 GLU CA C 60.645 0.40 1 1177 114 117 GLU CB C 29.473 0.40 1 1178 114 117 GLU CG C 36.737 0.40 1 1179 114 117 GLU N N 127.682 0.40 1 1180 115 118 ARG H H 8.869 0.02 1 1181 115 118 ARG HA H 4.307 0.02 1 1182 115 118 ARG HB2 H 1.985 0.02 2 1183 115 118 ARG HB3 H 2.083 0.02 2 1184 115 118 ARG HG2 H 1.793 0.02 2 1185 115 118 ARG HG3 H 1.828 0.02 2 1186 115 118 ARG HD2 H 3.411 0.02 2 1187 115 118 ARG HD3 H 3.335 0.02 2 1188 115 118 ARG C C 178.819 0.40 1 1189 115 118 ARG CA C 59.321 0.40 1 1190 115 118 ARG CB C 30.401 0.40 1 1191 115 118 ARG CG C 27.416 0.40 1 1192 115 118 ARG CD C 43.401 0.40 1 1193 115 118 ARG N N 116.718 0.40 1 1194 116 119 VAL H H 7.182 0.02 1 1195 116 119 VAL HA H 3.806 0.02 1 1196 116 119 VAL HB H 2.425 0.02 1 1197 116 119 VAL HG1 H 0.992 0.02 1 1198 116 119 VAL HG2 H 0.972 0.02 1 1199 116 119 VAL C C 177.126 0.40 1 1200 116 119 VAL CA C 65.669 0.40 1 1201 116 119 VAL CB C 32.154 0.40 1 1202 116 119 VAL CG1 C 21.492 0.40 1 1203 116 119 VAL CG2 C 22.225 0.40 1 1204 116 119 VAL N N 119.573 0.40 1 1205 117 120 TYR H H 8.204 0.02 1 1206 117 120 TYR HA H 3.925 0.02 1 1207 117 120 TYR HB2 H 3.262 0.02 2 1208 117 120 TYR HB3 H 3.373 0.02 2 1209 117 120 TYR HD1 H 7.104 0.02 3 1210 117 120 TYR HD2 H 7.104 0.02 3 1211 117 120 TYR HE1 H 6.595 0.02 3 1212 117 120 TYR HE2 H 6.595 0.02 3 1213 117 120 TYR C C 176.621 0.40 1 1214 117 120 TYR CA C 62.767 0.40 1 1215 117 120 TYR CB C 37.245 0.40 1 1216 117 120 TYR CD1 C 134.069 0.40 3 1217 117 120 TYR N N 122.725 0.40 1 1218 118 121 ASP H H 8.810 0.02 1 1219 118 121 ASP HA H 4.249 0.02 1 1220 118 121 ASP HB2 H 2.813 0.02 2 1221 118 121 ASP HB3 H 2.647 0.02 2 1222 118 121 ASP C C 179.503 0.40 1 1223 118 121 ASP CA C 57.401 0.40 1 1224 118 121 ASP CB C 40.198 0.40 1 1225 118 121 ASP N N 117.268 0.40 1 1226 119 122 LEU H H 7.552 0.02 1 1227 119 122 LEU HA H 4.236 0.02 1 1228 119 122 LEU HB2 H 1.389 0.02 2 1229 119 122 LEU HB3 H 2.204 0.02 2 1230 119 122 LEU HG H 2.022 0.02 1 1231 119 122 LEU HD1 H 0.995 0.02 1 1232 119 122 LEU HD2 H 1.021 0.02 1 1233 119 122 LEU C C 180.236 0.40 1 1234 119 122 LEU CA C 58.310 0.40 1 1235 119 122 LEU CB C 42.559 0.40 1 1236 119 122 LEU CG C 27.313 0.40 1 1237 119 122 LEU CD1 C 26.086 0.40 1 1238 119 122 LEU CD2 C 23.219 0.40 1 1239 119 122 LEU N N 120.658 0.40 1 1240 120 123 VAL H H 8.596 0.02 1 1241 120 123 VAL HA H 3.452 0.02 1 1242 120 123 VAL HB H 2.001 0.02 1 1243 120 123 VAL HG1 H 0.516 0.02 1 1244 120 123 VAL HG2 H 0.294 0.02 1 1245 120 123 VAL C C 177.630 0.40 1 1246 120 123 VAL CA C 67.387 0.40 1 1247 120 123 VAL CB C 31.254 0.40 1 1248 120 123 VAL CG1 C 21.416 0.40 1 1249 120 123 VAL CG2 C 23.168 0.40 1 1250 120 123 VAL N N 123.233 0.40 1 1251 121 124 VAL H H 8.639 0.02 1 1252 121 124 VAL HA H 3.261 0.02 1 1253 121 124 VAL HB H 1.841 0.02 1 1254 121 124 VAL HG1 H 0.761 0.02 1 1255 121 124 VAL HG2 H 0.312 0.02 1 1256 121 124 VAL C C 177.940 0.40 1 1257 121 124 VAL CA C 67.508 0.40 1 1258 121 124 VAL CB C 31.547 0.40 1 1259 121 124 VAL CG1 C 21.070 0.40 1 1260 121 124 VAL CG2 C 21.672 0.40 1 1261 121 124 VAL N N 120.236 0.40 1 1262 122 125 MET H H 8.230 0.02 1 1263 122 125 MET HA H 4.188 0.02 1 1264 122 125 MET HB2 H 2.312 0.02 2 1265 122 125 MET HB3 H 2.200 0.02 2 1266 122 125 MET HG2 H 2.785 0.02 2 1267 122 125 MET HG3 H 2.666 0.02 2 1268 122 125 MET HE H 2.183 0.02 1 1269 122 125 MET C C 179.340 0.40 1 1270 122 125 MET CA C 59.090 0.40 1 1271 122 125 MET CB C 33.366 0.40 1 1272 122 125 MET CG C 32.123 0.40 1 1273 122 125 MET CE C 16.998 0.40 1 1274 122 125 MET N N 117.240 0.40 1 1275 123 126 HIS H H 8.211 0.02 1 1276 123 126 HIS HA H 4.421 0.02 1 1277 123 126 HIS HB2 H 3.349 0.02 2 1278 123 126 HIS HB3 H 3.430 0.02 2 1279 123 126 HIS HE1 H 7.806 0.02 1 1280 123 126 HIS C C 178.966 0.40 1 1281 123 126 HIS CA C 60.373 0.40 1 1282 123 126 HIS CB C 31.545 0.40 1 1283 123 126 HIS N N 119.753 0.40 1 1284 124 127 MET H H 8.598 0.02 1 1285 124 127 MET HA H 4.158 0.02 1 1286 124 127 MET HG2 H 2.723 0.02 2 1287 124 127 MET HG3 H 2.723 0.02 2 1288 124 127 MET HE H 1.453 0.02 1 1289 124 127 MET C C 179.747 0.40 1 1290 124 127 MET CA C 57.837 0.40 1 1291 124 127 MET CB C 31.698 0.40 1 1292 124 127 MET CG C 32.650 0.40 1 1293 124 127 MET CE C 16.573 0.40 1 1294 124 127 MET N N 118.318 0.40 1 1295 125 128 GLU H H 8.782 0.02 1 1296 125 128 GLU HA H 4.189 0.02 1 1297 125 128 GLU HB2 H 2.177 0.02 2 1298 125 128 GLU HB3 H 2.075 0.02 2 1299 125 128 GLU HG2 H 2.570 0.02 2 1300 125 128 GLU HG3 H 2.253 0.02 2 1301 125 128 GLU C C 177.696 0.40 1 1302 125 128 GLU CA C 58.789 0.40 1 1303 125 128 GLU CB C 29.737 0.40 1 1304 125 128 GLU CG C 37.597 0.40 1 1305 125 128 GLU N N 118.863 0.40 1 1306 126 129 SER H H 7.590 0.02 1 1307 126 129 SER HA H 4.425 0.02 1 1308 126 129 SER HB2 H 4.055 0.02 2 1309 126 129 SER HB3 H 4.055 0.02 2 1310 126 129 SER C C 173.934 0.40 1 1311 126 129 SER CA C 59.859 0.40 1 1312 126 129 SER CB C 63.866 0.40 1 1313 126 129 SER N N 113.880 0.40 1 1314 127 130 MET H H 7.265 0.02 1 1315 127 130 MET HA H 4.516 0.02 1 1316 127 130 MET HB2 H 2.163 0.02 2 1317 127 130 MET HB3 H 2.062 0.02 2 1318 127 130 MET HG2 H 2.559 0.02 2 1319 127 130 MET HG3 H 2.476 0.02 2 1320 127 130 MET HE H 2.073 0.02 1 1321 127 130 MET C C 175.318 0.40 1 1322 127 130 MET CA C 54.861 0.40 1 1323 127 130 MET CB C 34.069 0.40 1 1324 127 130 MET CG C 31.675 0.40 1 1325 127 130 MET CE C 17.481 0.40 1 1326 127 130 MET N N 122.239 0.40 1 1327 128 131 GLU H H 8.465 0.02 1 1328 128 131 GLU HA H 4.289 0.02 1 1329 128 131 GLU HB2 H 2.011 0.02 2 1330 128 131 GLU HB3 H 2.011 0.02 2 1331 128 131 GLU HG2 H 2.266 0.02 2 1332 128 131 GLU HG3 H 2.349 0.02 2 1333 128 131 GLU C C 176.523 0.40 1 1334 128 131 GLU CA C 56.396 0.40 1 1335 128 131 GLU CB C 30.124 0.40 1 1336 128 131 GLU CG C 36.419 0.40 1 1337 128 131 GLU N N 122.550 0.40 1 1338 129 132 SER H H 8.641 0.02 1 1339 129 132 SER HA H 4.445 0.02 1 1340 129 132 SER HB2 H 3.822 0.02 2 1341 129 132 SER HB3 H 3.822 0.02 2 1342 129 132 SER C C 174.569 0.40 1 1343 129 132 SER CA C 58.713 0.40 1 1344 129 132 SER CB C 63.171 0.40 1 1345 129 132 SER N N 121.030 0.40 1 1346 130 133 VAL H H 9.496 0.02 1 1347 130 133 VAL HA H 4.335 0.02 1 1348 130 133 VAL HB H 2.138 0.02 1 1349 130 133 VAL HG1 H 0.981 0.02 1 1350 130 133 VAL HG2 H 1.006 0.02 1 1351 130 133 VAL C C 176.393 0.40 1 1352 130 133 VAL CA C 63.154 0.40 1 1353 130 133 VAL CB C 34.433 0.40 1 1354 130 133 VAL CG1 C 21.452 0.40 1 1355 130 133 VAL CG2 C 20.390 0.40 1 1356 130 133 VAL N N 124.403 0.40 1 1357 131 134 ASP H H 9.225 0.02 1 1358 131 134 ASP HA H 4.843 0.02 1 1359 131 134 ASP HB2 H 2.454 0.02 2 1360 131 134 ASP HB3 H 2.770 0.02 2 1361 131 134 ASP C C 176.670 0.40 1 1362 131 134 ASP CA C 55.472 0.40 1 1363 131 134 ASP CB C 42.293 0.40 1 1364 131 134 ASP N N 122.875 0.40 1 1365 132 135 ASN H H 9.125 0.02 1 1366 132 135 ASN HA H 4.261 0.02 1 1367 132 135 ASN HB2 H 3.045 0.02 2 1368 132 135 ASN HB3 H 2.764 0.02 2 1369 132 135 ASN C C 173.885 0.40 1 1370 132 135 ASN CA C 54.373 0.40 1 1371 132 135 ASN CB C 37.500 0.40 1 1372 132 135 ASN N N 120.170 0.40 1 1373 133 136 ARG H H 7.912 0.02 1 1374 133 136 ARG HA H 5.174 0.02 1 1375 133 136 ARG HB2 H 1.844 0.02 2 1376 133 136 ARG HB3 H 1.982 0.02 2 1377 133 136 ARG HG2 H 1.767 0.02 2 1378 133 136 ARG HG3 H 1.871 0.02 2 1379 133 136 ARG HD2 H 3.250 0.02 2 1380 133 136 ARG HD3 H 3.096 0.02 2 1381 133 136 ARG C C 173.348 0.40 1 1382 133 136 ARG CA C 52.856 0.40 1 1383 133 136 ARG CB C 33.098 0.40 1 1384 133 136 ARG CG C 26.994 0.40 1 1385 133 136 ARG CD C 44.033 0.40 1 1386 133 136 ARG N N 121.512 0.40 1 1387 134 137 PRO HA H 4.551 0.02 1 1388 134 137 PRO HB2 H 1.554 0.02 2 1389 134 137 PRO HB3 H 1.851 0.02 2 1390 134 137 PRO HG2 H 2.243 0.02 2 1391 134 137 PRO HG3 H 2.333 0.02 2 1392 134 137 PRO HD2 H 4.057 0.02 2 1393 134 137 PRO HD3 H 4.210 0.02 2 1394 134 137 PRO C C 176.339 0.40 1 1395 134 137 PRO CA C 62.321 0.40 1 1396 134 137 PRO CB C 32.917 0.40 1 1397 134 137 PRO CG C 27.493 0.40 1 1398 134 137 PRO CD C 51.481 0.40 1 1399 135 138 VAL H H 8.825 0.02 1 1400 135 138 VAL HA H 4.576 0.02 1 1401 135 138 VAL HB H 2.339 0.02 1 1402 135 138 VAL HG1 H 0.324 0.02 1 1403 135 138 VAL HG2 H 0.784 0.02 1 1404 135 138 VAL C C 172.697 0.40 1 1405 135 138 VAL CA C 59.204 0.40 1 1406 135 138 VAL CB C 34.256 0.40 1 1407 135 138 VAL CG1 C 18.968 0.40 1 1408 135 138 VAL CG2 C 22.778 0.40 1 1409 135 138 VAL N N 122.324 0.40 1 1410 136 139 HIS H H 7.594 0.02 1 1411 136 139 HIS HA H 4.869 0.02 1 1412 136 139 HIS HB2 H 3.094 0.02 2 1413 136 139 HIS HB3 H 2.842 0.02 2 1414 136 139 HIS HD2 H 6.983 0.02 1 1415 136 139 HIS HE1 H 8.073 0.02 1 1416 136 139 HIS C C 173.804 0.40 1 1417 136 139 HIS CA C 56.306 0.40 1 1418 136 139 HIS CB C 33.548 0.40 1 1419 136 139 HIS N N 125.775 0.40 1 1420 137 140 VAL H H 9.304 0.02 1 1421 137 140 VAL HA H 5.260 0.02 1 1422 137 140 VAL HB H 1.939 0.02 1 1423 137 140 VAL HG1 H 0.776 0.02 1 1424 137 140 VAL HG2 H 0.769 0.02 1 1425 137 140 VAL C C 175.269 0.40 1 1426 137 140 VAL CA C 61.045 0.40 1 1427 137 140 VAL CB C 32.551 0.40 1 1428 137 140 VAL CG1 C 22.122 0.40 1 1429 137 140 VAL CG2 C 21.837 0.40 1 1430 137 140 VAL N N 125.942 0.40 1 1431 138 141 LEU H H 9.545 0.02 1 1432 138 141 LEU HA H 5.948 0.02 1 1433 138 141 LEU HB2 H 1.636 0.02 2 1434 138 141 LEU HB3 H 1.419 0.02 2 1435 138 141 LEU HG H 1.768 0.02 1 1436 138 141 LEU HD1 H 0.863 0.02 1 1437 138 141 LEU HD2 H 0.854 0.02 1 1438 138 141 LEU C C 174.423 0.40 1 1439 138 141 LEU CA C 53.297 0.40 1 1440 138 141 LEU CB C 46.512 0.40 1 1441 138 141 LEU CG C 28.141 0.40 1 1442 138 141 LEU CD1 C 27.004 0.40 1 1443 138 141 LEU CD2 C 26.601 0.40 1 1444 138 141 LEU N N 127.984 0.40 1 1445 139 142 ASN H H 8.734 0.02 1 1446 139 142 ASN HA H 5.472 0.02 1 1447 139 142 ASN HB2 H 1.975 0.02 2 1448 139 142 ASN HB3 H 2.146 0.02 2 1449 139 142 ASN C C 173.413 0.40 1 1450 139 142 ASN CA C 52.643 0.40 1 1451 139 142 ASN CB C 42.658 0.40 1 1452 139 142 ASN N N 119.190 0.40 1 1453 140 143 VAL H H 8.452 0.02 1 1454 140 143 VAL HA H 4.098 0.02 1 1455 140 143 VAL HB H 1.842 0.02 1 1456 140 143 VAL HG1 H 0.776 0.02 1 1457 140 143 VAL HG2 H 0.797 0.02 1 1458 140 143 VAL C C 172.876 0.40 1 1459 140 143 VAL CA C 60.286 0.40 1 1460 140 143 VAL CB C 33.757 0.40 1 1461 140 143 VAL CG1 C 20.615 0.40 1 1462 140 143 VAL CG2 C 21.420 0.40 1 1463 140 143 VAL N N 125.804 0.40 1 1464 141 144 ASP H H 8.122 0.02 1 1465 141 144 ASP HA H 4.457 0.02 1 1466 141 144 ASP HB2 H 2.495 0.02 2 1467 141 144 ASP HB3 H 2.603 0.02 2 1468 141 144 ASP C C 177.272 0.40 1 1469 141 144 ASP CA C 56.103 0.40 1 1470 141 144 ASP CB C 41.930 0.40 1 1471 141 144 ASP N N 122.788 0.40 1 1472 142 145 VAL H H 9.238 0.02 1 1473 142 145 VAL HA H 4.239 0.02 1 1474 142 145 VAL HB H 2.108 0.02 1 1475 142 145 VAL HG1 H 1.172 0.02 1 1476 142 145 VAL HG2 H 1.044 0.02 1 1477 142 145 VAL C C 175.872 0.40 1 1478 142 145 VAL CA C 61.831 0.40 1 1479 142 145 VAL CB C 36.079 0.40 1 1480 142 145 VAL CG1 C 22.094 0.40 1 1481 142 145 VAL CG2 C 21.168 0.40 1 1482 142 145 VAL N N 126.878 0.40 1 1483 143 146 VAL H H 9.514 0.02 1 1484 143 146 VAL HA H 4.113 0.02 1 1485 143 146 VAL HB H 2.128 0.02 1 1486 143 146 VAL HG1 H 1.097 0.02 1 1487 143 146 VAL HG2 H 1.102 0.02 1 1488 143 146 VAL C C 175.937 0.40 1 1489 143 146 VAL CA C 63.508 0.40 1 1490 143 146 VAL CB C 32.003 0.40 1 1491 143 146 VAL CG1 C 22.440 0.40 1 1492 143 146 VAL CG2 C 22.256 0.40 1 1493 143 146 VAL N N 130.960 0.40 1 1494 144 147 ASP H H 8.693 0.02 1 1495 144 147 ASP HA H 4.492 0.02 1 1496 144 147 ASP C C 175.155 0.40 1 1497 144 147 ASP CA C 53.942 0.40 1 1498 144 147 ASP CB C 38.851 0.40 1 1499 144 147 ASP N N 123.358 0.40 1 1500 145 148 ASN H H 8.625 0.02 1 1501 145 148 ASN HA H 4.816 0.02 1 1502 145 148 ASN HB2 H 3.009 0.02 2 1503 145 148 ASN HB3 H 3.119 0.02 2 1504 145 148 ASN C C 175.497 0.40 1 1505 145 148 ASN CA C 52.879 0.40 1 1506 145 148 ASN CB C 40.385 0.40 1 1507 145 148 ASN N N 120.055 0.40 1 1508 146 149 ALA HA H 4.323 0.02 1 1509 146 149 ALA HB H 1.552 0.02 1 1510 146 149 ALA CA C 55.494 0.40 1 1511 146 149 ALA CB C 18.938 0.40 1 1512 147 150 GLU H H 8.603 0.02 1 1513 147 150 GLU HA H 4.205 0.02 1 1514 147 150 GLU HB2 H 2.183 0.02 2 1515 147 150 GLU HB3 H 2.118 0.02 2 1516 147 150 GLU HG2 H 2.378 0.02 2 1517 147 150 GLU HG3 H 2.378 0.02 2 1518 147 150 GLU C C 179.080 0.40 1 1519 147 150 GLU CA C 59.766 0.40 1 1520 147 150 GLU CB C 29.698 0.40 1 1521 147 150 GLU CG C 36.937 0.40 1 1522 147 150 GLU N N 119.570 0.40 1 1523 148 151 ASP H H 9.122 0.02 1 1524 148 151 ASP HA H 4.813 0.02 1 1525 148 151 ASP HB2 H 2.696 0.02 2 1526 148 151 ASP HB3 H 3.010 0.02 2 1527 148 151 ASP CA C 56.874 0.40 1 1528 148 151 ASP CB C 41.393 0.40 1 1529 148 151 ASP N N 121.306 0.40 1 1530 149 152 ALA H H 8.425 0.02 1 1531 149 152 ALA HA H 4.257 0.02 1 1532 149 152 ALA HB H 1.600 0.02 1 1533 149 152 ALA C C 180.138 0.40 1 1534 149 152 ALA CA C 55.116 0.40 1 1535 149 152 ALA CB C 19.175 0.40 1 1536 149 152 ALA N N 121.710 0.40 1 1537 150 153 LEU H H 7.514 0.02 1 1538 150 153 LEU HA H 4.125 0.02 1 1539 150 153 LEU HB2 H 1.757 0.02 2 1540 150 153 LEU HB3 H 1.939 0.02 2 1541 150 153 LEU HG H 1.602 0.02 1 1542 150 153 LEU HD1 H 1.021 0.02 1 1543 150 153 LEU HD2 H 1.052 0.02 1 1544 150 153 LEU C C 177.793 0.40 1 1545 150 153 LEU CA C 57.976 0.40 1 1546 150 153 LEU CB C 41.818 0.40 1 1547 150 153 LEU CG C 27.364 0.40 1 1548 150 153 LEU CD1 C 24.381 0.40 1 1549 150 153 LEU CD2 C 25.349 0.40 1 1550 150 153 LEU N N 119.699 0.40 1 1551 151 154 MET H H 7.701 0.02 1 1552 151 154 MET HA H 4.459 0.02 1 1553 151 154 MET HB2 H 2.310 0.02 2 1554 151 154 MET HB3 H 2.310 0.02 2 1555 151 154 MET HG2 H 2.796 0.02 2 1556 151 154 MET HG3 H 2.796 0.02 2 1557 151 154 MET HE H 2.181 0.02 1 1558 151 154 MET C C 179.780 0.40 1 1559 151 154 MET CA C 57.830 0.40 1 1560 151 154 MET CB C 31.734 0.40 1 1561 151 154 MET CG C 32.469 0.40 1 1562 151 154 MET CE C 17.265 0.40 1 1563 151 154 MET N N 117.324 0.40 1 1564 152 155 GLY H H 9.375 0.02 1 1565 152 155 GLY HA2 H 3.882 0.02 2 1566 152 155 GLY HA3 H 3.716 0.02 2 1567 152 155 GLY C C 174.455 0.40 1 1568 152 155 GLY CA C 47.005 0.40 1 1569 152 155 GLY N N 108.099 0.40 1 1570 153 156 ALA H H 7.946 0.02 1 1571 153 156 ALA HA H 3.887 0.02 1 1572 153 156 ALA HB H 1.246 0.02 1 1573 153 156 ALA C C 180.350 0.40 1 1574 153 156 ALA CA C 55.695 0.40 1 1575 153 156 ALA CB C 17.759 0.40 1 1576 153 156 ALA N N 124.085 0.40 1 1577 154 157 PHE H H 7.849 0.02 1 1578 154 157 PHE HA H 4.214 0.02 1 1579 154 157 PHE HB2 H 3.381 0.02 2 1580 154 157 PHE HB3 H 3.353 0.02 2 1581 154 157 PHE HD1 H 7.253 0.02 3 1582 154 157 PHE HD2 H 7.253 0.02 3 1583 154 157 PHE HE1 H 7.271 0.02 3 1584 154 157 PHE HE2 H 7.271 0.02 3 1585 154 157 PHE C C 178.428 0.40 1 1586 154 157 PHE CA C 60.862 0.40 1 1587 154 157 PHE CB C 38.410 0.40 1 1588 154 157 PHE CD1 C 131.673 0.40 3 1589 154 157 PHE N N 119.857 0.40 1 1590 155 158 VAL H H 8.150 0.02 1 1591 155 158 VAL HA H 3.848 0.02 1 1592 155 158 VAL HB H 2.383 0.02 1 1593 155 158 VAL HG1 H 1.127 0.02 1 1594 155 158 VAL HG2 H 1.252 0.02 1 1595 155 158 VAL C C 177.793 0.40 1 1596 155 158 VAL CA C 66.828 0.40 1 1597 155 158 VAL CB C 31.912 0.40 1 1598 155 158 VAL CG1 C 22.001 0.40 1 1599 155 158 VAL CG2 C 22.893 0.40 1 1600 155 158 VAL N N 120.546 0.40 1 1601 156 159 ILE H H 8.896 0.02 1 1602 156 159 ILE HA H 3.463 0.02 1 1603 156 159 ILE HB H 1.817 0.02 1 1604 156 159 ILE HG2 H 0.783 0.02 1 1605 156 159 ILE HD1 H 0.673 0.02 1 1606 156 159 ILE C C 177.288 0.40 1 1607 156 159 ILE CA C 66.237 0.40 1 1608 156 159 ILE CB C 38.560 0.40 1 1609 156 159 ILE CG2 C 17.232 0.40 1 1610 156 159 ILE CD1 C 13.552 0.40 1 1611 156 159 ILE N N 120.202 0.40 1 1612 157 160 THR H H 8.003 0.02 1 1613 157 160 THR HA H 4.317 0.02 1 1614 157 160 THR HB H 3.701 0.02 1 1615 157 160 THR HG2 H 1.302 0.02 1 1616 157 160 THR C C 175.595 0.40 1 1617 157 160 THR CA C 67.504 0.40 1 1618 157 160 THR CB C 68.023 0.40 1 1619 157 160 THR CG2 C 21.633 0.40 1 1620 157 160 THR N N 116.708 0.40 1 1621 158 161 ASP H H 8.032 0.02 1 1622 158 161 ASP HA H 4.527 0.02 1 1623 158 161 ASP HB2 H 3.037 0.02 2 1624 158 161 ASP HB3 H 2.986 0.02 2 1625 158 161 ASP C C 178.331 0.40 1 1626 158 161 ASP CA C 57.434 0.40 1 1627 158 161 ASP CB C 41.141 0.40 1 1628 158 161 ASP N N 122.426 0.40 1 1629 159 162 MET H H 8.180 0.02 1 1630 159 162 MET HA H 3.464 0.02 1 1631 159 162 MET HB2 H 1.492 0.02 2 1632 159 162 MET HB3 H 1.966 0.02 2 1633 159 162 MET HG2 H 1.547 0.02 2 1634 159 162 MET HG3 H 1.742 0.02 2 1635 159 162 MET HE H 1.672 0.02 1 1636 159 162 MET C C 178.005 0.40 1 1637 159 162 MET CA C 59.558 0.40 1 1638 159 162 MET CB C 33.080 0.40 1 1639 159 162 MET CG C 31.363 0.40 1 1640 159 162 MET CE C 17.562 0.40 1 1641 159 162 MET N N 119.798 0.40 1 1642 160 163 ILE H H 8.464 0.02 1 1643 160 163 ILE HA H 3.506 0.02 1 1644 160 163 ILE HB H 1.710 0.02 1 1645 160 163 ILE HG12 H 1.551 0.02 2 1646 160 163 ILE HG13 H 1.143 0.02 2 1647 160 163 ILE HG2 H 0.251 0.02 1 1648 160 163 ILE HD1 H 0.550 0.02 1 1649 160 163 ILE C C 177.484 0.40 1 1650 160 163 ILE CA C 62.801 0.40 1 1651 160 163 ILE CB C 35.213 0.40 1 1652 160 163 ILE CG1 C 27.880 0.40 1 1653 160 163 ILE CG2 C 17.615 0.40 1 1654 160 163 ILE CD1 C 10.706 0.40 1 1655 160 163 ILE N N 119.196 0.40 1 1656 161 164 ASN H H 8.736 0.02 1 1657 161 164 ASN HA H 4.574 0.02 1 1658 161 164 ASN HB2 H 3.048 0.02 2 1659 161 164 ASN HB3 H 3.048 0.02 2 1660 161 164 ASN C C 177.696 0.40 1 1661 161 164 ASN CA C 57.043 0.40 1 1662 161 164 ASN CB C 39.206 0.40 1 1663 161 164 ASN N N 118.907 0.40 1 1664 162 165 MET H H 7.865 0.02 1 1665 162 165 MET HA H 4.209 0.02 1 1666 162 165 MET HB2 H 2.278 0.02 2 1667 162 165 MET HB3 H 2.370 0.02 2 1668 162 165 MET HG2 H 2.699 0.02 2 1669 162 165 MET HG3 H 2.888 0.02 2 1670 162 165 MET HE H 2.148 0.02 1 1671 162 165 MET C C 179.161 0.40 1 1672 162 165 MET CA C 58.856 0.40 1 1673 162 165 MET CB C 32.564 0.40 1 1674 162 165 MET CG C 32.394 0.40 1 1675 162 165 MET CE C 17.421 0.40 1 1676 162 165 MET N N 116.607 0.40 1 1677 163 166 MET H H 8.226 0.02 1 1678 163 166 MET HA H 3.919 0.02 1 1679 163 166 MET HG2 H 2.779 0.02 2 1680 163 166 MET HG3 H 2.323 0.02 2 1681 163 166 MET HE H 1.764 0.02 1 1682 163 166 MET C C 178.135 0.40 1 1683 163 166 MET CA C 59.185 0.40 1 1684 163 166 MET CB C 31.721 0.40 1 1685 163 166 MET CG C 34.255 0.40 1 1686 163 166 MET CE C 18.510 0.40 1 1687 163 166 MET N N 119.137 0.40 1 1688 164 167 ALA H H 8.780 0.02 1 1689 164 167 ALA HA H 4.227 0.02 1 1690 164 167 ALA HB H 1.734 0.02 1 1691 164 167 ALA C C 177.907 0.40 1 1692 164 167 ALA CA C 53.960 0.40 1 1693 164 167 ALA CB C 18.766 0.40 1 1694 164 167 ALA N N 120.410 0.40 1 1695 165 168 LYS H H 7.313 0.02 1 1696 165 168 LYS HA H 4.344 0.02 1 1697 165 168 LYS HG2 H 1.778 0.02 2 1698 165 168 LYS HG3 H 1.611 0.02 2 1699 165 168 LYS HE2 H 3.062 0.02 2 1700 165 168 LYS HE3 H 3.062 0.02 2 1701 165 168 LYS C C 177.207 0.40 1 1702 165 168 LYS CA C 56.643 0.40 1 1703 165 168 LYS CB C 32.947 0.40 1 1704 165 168 LYS CG C 25.293 0.40 1 1705 165 168 LYS CE C 41.876 0.40 1 1706 165 168 LYS N N 114.965 0.40 1 1707 166 169 SER H H 7.230 0.02 1 1708 166 169 SER HA H 4.461 0.02 1 1709 166 169 SER HB2 H 3.836 0.02 2 1710 166 169 SER HB3 H 3.972 0.02 2 1711 166 169 SER C C 176.539 0.40 1 1712 166 169 SER CA C 58.737 0.40 1 1713 166 169 SER CB C 63.643 0.40 1 1714 166 169 SER N N 113.454 0.40 1 1715 167 170 THR HA H 4.517 0.02 1 1716 167 170 THR HB H 4.595 0.02 1 1717 167 170 THR HG2 H 1.321 0.02 1 1718 167 170 THR CA C 62.202 0.40 1 1719 167 170 THR CB C 69.001 0.40 1 1720 167 170 THR CG2 C 21.993 0.40 1 1721 168 171 ASP H H 8.441 0.02 1 1722 168 171 ASP HA H 4.756 0.02 1 1723 168 171 ASP HB2 H 2.829 0.02 2 1724 168 171 ASP HB3 H 2.588 0.02 2 1725 168 171 ASP C C 175.302 0.40 1 1726 168 171 ASP CA C 53.217 0.40 1 1727 168 171 ASP CB C 40.210 0.40 1 1728 168 171 ASP N N 123.719 0.40 1 1729 169 172 LEU H H 8.778 0.02 1 1730 169 172 LEU HA H 4.090 0.02 1 1731 169 172 LEU HB2 H 1.659 0.02 2 1732 169 172 LEU HB3 H 1.786 0.02 2 1733 169 172 LEU HG H 1.426 0.02 1 1734 169 172 LEU HD1 H 0.932 0.02 1 1735 169 172 LEU HD2 H 0.895 0.02 1 1736 169 172 LEU C C 178.037 0.40 1 1737 169 172 LEU CA C 58.775 0.40 1 1738 169 172 LEU CB C 41.686 0.40 1 1739 169 172 LEU CG C 27.236 0.40 1 1740 169 172 LEU CD1 C 23.546 0.40 1 1741 169 172 LEU CD2 C 25.296 0.40 1 1742 169 172 LEU N N 126.895 0.40 1 1743 170 173 ASP H H 8.517 0.02 1 1744 170 173 ASP HA H 4.417 0.02 1 1745 170 173 ASP HB2 H 2.840 0.02 2 1746 170 173 ASP HB3 H 2.734 0.02 2 1747 170 173 ASP C C 178.493 0.40 1 1748 170 173 ASP CA C 57.763 0.40 1 1749 170 173 ASP CB C 40.714 0.40 1 1750 170 173 ASP N N 115.533 0.40 1 1751 171 174 ASN H H 7.411 0.02 1 1752 171 174 ASN HA H 4.853 0.02 1 1753 171 174 ASN HB2 H 2.669 0.02 2 1754 171 174 ASN HB3 H 2.827 0.02 2 1755 171 174 ASN C C 176.181 0.40 1 1756 171 174 ASN CA C 54.929 0.40 1 1757 171 174 ASN CB C 40.201 0.40 1 1758 171 174 ASN N N 114.679 0.40 1 1759 172 175 ASP H H 8.175 0.02 1 1760 172 175 ASP HA H 4.824 0.02 1 1761 172 175 ASP HB2 H 2.766 0.02 2 1762 172 175 ASP HB3 H 2.615 0.02 2 1763 172 175 ASP C C 178.575 0.40 1 1764 172 175 ASP CA C 55.478 0.40 1 1765 172 175 ASP CB C 41.577 0.40 1 1766 172 175 ASP N N 119.137 0.40 1 1767 173 176 ILE H H 8.419 0.02 1 1768 173 176 ILE HA H 3.826 0.02 1 1769 173 176 ILE HB H 1.937 0.02 1 1770 173 176 ILE HG12 H 1.107 0.02 2 1771 173 176 ILE HG13 H 0.846 0.02 2 1772 173 176 ILE HG2 H 0.859 0.02 1 1773 173 176 ILE HD1 H 0.371 0.02 1 1774 173 176 ILE C C 175.204 0.40 1 1775 173 176 ILE CA C 65.284 0.40 1 1776 173 176 ILE CB C 37.446 0.40 1 1777 173 176 ILE CG1 C 29.209 0.40 1 1778 173 176 ILE CG2 C 17.044 0.40 1 1779 173 176 ILE CD1 C 13.945 0.40 1 1780 173 176 ILE N N 120.200 0.40 1 1781 174 177 ASP H H 8.214 0.02 1 1782 174 177 ASP HA H 4.347 0.02 1 1783 174 177 ASP HB2 H 2.711 0.02 2 1784 174 177 ASP HB3 H 2.773 0.02 2 1785 174 177 ASP C C 179.226 0.40 1 1786 174 177 ASP CA C 58.218 0.40 1 1787 174 177 ASP CB C 40.216 0.40 1 1788 174 177 ASP N N 122.104 0.40 1 1789 175 178 GLU H H 8.156 0.02 1 1790 175 178 GLU HA H 4.180 0.02 1 1791 175 178 GLU HB2 H 2.170 0.02 2 1792 175 178 GLU HB3 H 2.170 0.02 2 1793 175 178 GLU HG2 H 2.383 0.02 2 1794 175 178 GLU HG3 H 2.383 0.02 2 1795 175 178 GLU C C 179.275 0.40 1 1796 175 178 GLU CA C 59.375 0.40 1 1797 175 178 GLU CB C 29.435 0.40 1 1798 175 178 GLU CG C 37.000 0.40 1 1799 175 178 GLU N N 120.850 0.40 1 1800 176 179 LEU H H 8.067 0.02 1 1801 176 179 LEU HA H 4.214 0.02 1 1802 176 179 LEU HB2 H 1.460 0.02 2 1803 176 179 LEU HB3 H 1.929 0.02 2 1804 176 179 LEU HG H 1.858 0.02 1 1805 176 179 LEU HD1 H 0.854 0.02 1 1806 176 179 LEU HD2 H 0.896 0.02 1 1807 176 179 LEU C C 179.340 0.40 1 1808 176 179 LEU CA C 58.250 0.40 1 1809 176 179 LEU CB C 42.009 0.40 1 1810 176 179 LEU CG C 26.819 0.40 1 1811 176 179 LEU CD1 C 26.762 0.40 1 1812 176 179 LEU CD2 C 23.594 0.40 1 1813 176 179 LEU N N 121.655 0.40 1 1814 177 180 ILE H H 8.749 0.02 1 1815 177 180 ILE HA H 3.516 0.02 1 1816 177 180 ILE HB H 1.951 0.02 1 1817 177 180 ILE HG12 H 0.755 0.02 2 1818 177 180 ILE HG13 H 1.628 0.02 2 1819 177 180 ILE HG2 H 0.941 0.02 1 1820 177 180 ILE HD1 H 0.502 0.02 1 1821 177 180 ILE C C 177.696 0.40 1 1822 177 180 ILE CA C 66.283 0.40 1 1823 177 180 ILE CB C 37.772 0.40 1 1824 177 180 ILE CG1 C 29.713 0.40 1 1825 177 180 ILE CG2 C 17.774 0.40 1 1826 177 180 ILE CD1 C 14.124 0.40 1 1827 177 180 ILE N N 119.358 0.40 1 1828 178 181 GLN H H 7.728 0.02 1 1829 178 181 GLN HA H 4.301 0.02 1 1830 178 181 GLN HB2 H 2.284 0.02 2 1831 178 181 GLN HB3 H 2.284 0.02 2 1832 178 181 GLN HG2 H 2.529 0.02 2 1833 178 181 GLN HG3 H 2.670 0.02 2 1834 178 181 GLN C C 178.982 0.40 1 1835 178 181 GLN CA C 59.374 0.40 1 1836 178 181 GLN CB C 28.622 0.40 1 1837 178 181 GLN CG C 34.333 0.40 1 1838 178 181 GLN N N 118.797 0.40 1 1839 179 182 GLU H H 8.069 0.02 1 1840 179 182 GLU HA H 4.188 0.02 1 1841 179 182 GLU C C 178.852 0.40 1 1842 179 182 GLU CA C 59.485 0.40 1 1843 179 182 GLU CB C 28.968 0.40 1 1844 179 182 GLU N N 120.028 0.40 1 1845 180 183 PHE H H 8.558 0.02 1 1846 180 183 PHE HA H 4.033 0.02 1 1847 180 183 PHE HB2 H 3.138 0.02 2 1848 180 183 PHE HB3 H 3.210 0.02 2 1849 180 183 PHE HD1 H 7.282 0.02 3 1850 180 183 PHE HD2 H 7.282 0.02 3 1851 180 183 PHE HE1 H 7.298 0.02 3 1852 180 183 PHE HE2 H 7.298 0.02 3 1853 180 183 PHE C C 178.103 0.40 1 1854 180 183 PHE CA C 62.685 0.40 1 1855 180 183 PHE CB C 39.481 0.40 1 1856 180 183 PHE CD1 C 131.950 0.40 3 1857 180 183 PHE N N 121.475 0.40 1 1858 181 184 GLU H H 9.205 0.02 1 1859 181 184 GLU HA H 4.111 0.02 1 1860 181 184 GLU HB2 H 2.084 0.02 2 1861 181 184 GLU HB3 H 2.429 0.02 2 1862 181 184 GLU HG2 H 2.802 0.02 2 1863 181 184 GLU HG3 H 2.516 0.02 2 1864 181 184 GLU C C 180.285 0.40 1 1865 181 184 GLU CA C 60.421 0.40 1 1866 181 184 GLU CB C 30.444 0.40 1 1867 181 184 GLU CG C 37.828 0.40 1 1868 181 184 GLU N N 120.942 0.40 1 1869 182 185 GLU H H 7.864 0.02 1 1870 182 185 GLU HA H 4.159 0.02 1 1871 182 185 GLU C C 178.607 0.40 1 1872 182 185 GLU CA C 59.090 0.40 1 1873 182 185 GLU CB C 29.417 0.40 1 1874 182 185 GLU N N 118.876 0.40 1 1875 183 186 ARG H H 8.178 0.02 1 1876 183 186 ARG HA H 4.204 0.02 1 1877 183 186 ARG C C 178.559 0.40 1 1878 183 186 ARG CA C 58.913 0.40 1 1879 183 186 ARG CB C 30.897 0.40 1 1880 183 186 ARG N N 117.629 0.40 1 1881 184 187 ARG H H 8.266 0.02 1 1882 184 187 ARG HA H 4.399 0.02 1 1883 184 187 ARG HB2 H 1.818 0.02 2 1884 184 187 ARG HB3 H 1.897 0.02 2 1885 184 187 ARG HG2 H 1.330 0.02 2 1886 184 187 ARG HG3 H 1.330 0.02 2 1887 184 187 ARG HD2 H 3.088 0.02 2 1888 184 187 ARG HD3 H 3.024 0.02 2 1889 184 187 ARG C C 175.546 0.40 1 1890 184 187 ARG CA C 54.411 0.40 1 1891 184 187 ARG CB C 29.887 0.40 1 1892 184 187 ARG CG C 26.824 0.40 1 1893 184 187 ARG CD C 42.395 0.40 1 1894 184 187 ARG N N 114.167 0.40 1 1895 185 188 LYS H H 7.871 0.02 1 1896 185 188 LYS HA H 4.072 0.02 1 1897 185 188 LYS HB2 H 1.672 0.02 2 1898 185 188 LYS HB3 H 1.776 0.02 2 1899 185 188 LYS HG2 H 1.362 0.02 2 1900 185 188 LYS HG3 H 1.407 0.02 2 1901 185 188 LYS C C 175.400 0.40 1 1902 185 188 LYS CA C 56.524 0.40 1 1903 185 188 LYS CB C 28.893 0.40 1 1904 185 188 LYS CG C 24.884 0.40 1 1905 185 188 LYS N N 117.221 0.40 1 1906 186 189 ARG H H 7.527 0.02 1 1907 186 189 ARG HA H 4.755 0.02 1 1908 186 189 ARG HB2 H 1.525 0.02 2 1909 186 189 ARG HB3 H 1.965 0.02 2 1910 186 189 ARG HG2 H 1.711 0.02 2 1911 186 189 ARG HG3 H 1.674 0.02 2 1912 186 189 ARG HD2 H 3.368 0.02 2 1913 186 189 ARG HD3 H 3.131 0.02 2 1914 186 189 ARG C C 174.488 0.40 1 1915 186 189 ARG CA C 53.981 0.40 1 1916 186 189 ARG CB C 34.222 0.40 1 1917 186 189 ARG CG C 27.381 0.40 1 1918 186 189 ARG CD C 43.434 0.40 1 1919 186 189 ARG N N 116.578 0.40 1 1920 187 190 VAL H H 8.109 0.02 1 1921 187 190 VAL HA H 4.122 0.02 1 1922 187 190 VAL HB H 1.929 0.02 1 1923 187 190 VAL HG1 H 0.908 0.02 1 1924 187 190 VAL HG2 H 1.007 0.02 1 1925 187 190 VAL C C 176.084 0.40 1 1926 187 190 VAL CA C 62.577 0.40 1 1927 187 190 VAL CB C 33.043 0.40 1 1928 187 190 VAL CG1 C 21.113 0.40 1 1929 187 190 VAL CG2 C 21.592 0.40 1 1930 187 190 VAL N N 121.277 0.40 1 1931 188 191 ILE H H 9.787 0.02 1 1932 188 191 ILE HA H 4.883 0.02 1 1933 188 191 ILE HB H 1.964 0.02 1 1934 188 191 ILE HG12 H 1.578 0.02 2 1935 188 191 ILE HG13 H 1.407 0.02 2 1936 188 191 ILE HG2 H 0.849 0.02 1 1937 188 191 ILE HD1 H 0.860 0.02 1 1938 188 191 ILE C C 175.937 0.40 1 1939 188 191 ILE CA C 58.951 0.40 1 1940 188 191 ILE CB C 39.246 0.40 1 1941 188 191 ILE CG1 C 27.803 0.40 1 1942 188 191 ILE CG2 C 17.652 0.40 1 1943 188 191 ILE CD1 C 13.207 0.40 1 1944 188 191 ILE N N 131.740 0.40 1 1945 189 192 LEU H H 7.441 0.02 1 1946 189 192 LEU HA H 4.526 0.02 1 1947 189 192 LEU HB2 H 1.028 0.02 2 1948 189 192 LEU HB3 H 0.773 0.02 2 1949 189 192 LEU HG H 1.625 0.02 1 1950 189 192 LEU HD1 H 0.471 0.02 1 1951 189 192 LEU HD2 H 0.757 0.02 1 1952 189 192 LEU C C 175.742 0.40 1 1953 189 192 LEU CA C 54.133 0.40 1 1954 189 192 LEU CB C 41.883 0.40 1 1955 189 192 LEU CG C 26.051 0.40 1 1956 189 192 LEU CD1 C 25.257 0.40 1 1957 189 192 LEU CD2 C 22.377 0.40 1 1958 189 192 LEU N N 126.597 0.40 1 1959 190 193 HIS H H 8.409 0.02 1 1960 190 193 HIS HA H 6.246 0.02 1 1961 190 193 HIS HB2 H 2.958 0.02 2 1962 190 193 HIS HB3 H 3.015 0.02 2 1963 190 193 HIS HD2 H 6.979 0.02 1 1964 190 193 HIS HE1 H 7.888 0.02 1 1965 190 193 HIS C C 174.227 0.40 1 1966 190 193 HIS CA C 54.461 0.40 1 1967 190 193 HIS CB C 36.082 0.40 1 1968 190 193 HIS N N 119.717 0.40 1 1969 191 194 SER H H 9.296 0.02 1 1970 191 194 SER HA H 4.473 0.02 1 1971 191 194 SER HB2 H 3.651 0.02 2 1972 191 194 SER HB3 H 3.449 0.02 2 1973 191 194 SER C C 171.150 0.40 1 1974 191 194 SER CA C 58.198 0.40 1 1975 191 194 SER CB C 67.357 0.40 1 1976 191 194 SER N N 122.715 0.40 1 1977 192 195 VAL H H 8.275 0.02 1 1978 192 195 VAL HA H 4.435 0.02 1 1979 192 195 VAL HB H 1.809 0.02 1 1980 192 195 VAL HG1 H 0.437 0.02 1 1981 192 195 VAL HG2 H 0.786 0.02 1 1982 192 195 VAL C C 174.553 0.40 1 1983 192 195 VAL CA C 61.562 0.40 1 1984 192 195 VAL CB C 32.338 0.40 1 1985 192 195 VAL CG1 C 20.858 0.40 1 1986 192 195 VAL CG2 C 21.615 0.40 1 1987 192 195 VAL N N 123.302 0.40 1 1988 193 196 LEU H H 8.324 0.02 1 1989 193 196 LEU HA H 4.583 0.02 1 1990 193 196 LEU HB2 H 1.526 0.02 2 1991 193 196 LEU HB3 H 1.185 0.02 2 1992 193 196 LEU HG H 1.532 0.02 1 1993 193 196 LEU HD1 H 0.883 0.02 1 1994 193 196 LEU HD2 H 0.911 0.02 1 1995 193 196 LEU C C 173.739 0.40 1 1996 193 196 LEU CA C 52.317 0.40 1 1997 193 196 LEU CB C 44.116 0.40 1 1998 193 196 LEU CG C 28.112 0.40 1 1999 193 196 LEU CD1 C 26.851 0.40 1 2000 193 196 LEU CD2 C 24.313 0.40 1 2001 193 196 LEU N N 130.177 0.40 1 2002 194 197 PHE H H 7.978 0.02 1 2003 194 197 PHE HA H 5.296 0.02 1 2004 194 197 PHE HB2 H 2.921 0.02 2 2005 194 197 PHE HB3 H 2.731 0.02 2 2006 194 197 PHE HD1 H 6.921 0.02 3 2007 194 197 PHE HD2 H 6.921 0.02 3 2008 194 197 PHE HE1 H 7.225 0.02 3 2009 194 197 PHE HE2 H 7.225 0.02 3 2010 194 197 PHE C C 176.914 0.40 1 2011 194 197 PHE CA C 57.197 0.40 1 2012 194 197 PHE CB C 42.336 0.40 1 2013 194 197 PHE CD1 C 131.729 0.40 3 2014 194 197 PHE N N 114.277 0.40 1 2015 195 198 TYR H H 9.018 0.02 1 2016 195 198 TYR HA H 4.521 0.02 1 2017 195 198 TYR HB2 H 3.479 0.02 2 2018 195 198 TYR HB3 H 2.717 0.02 2 2019 195 198 TYR HD1 H 7.145 0.02 3 2020 195 198 TYR HD2 H 7.145 0.02 3 2021 195 198 TYR HE1 H 7.287 0.02 3 2022 195 198 TYR HE2 H 7.287 0.02 3 2023 195 198 TYR C C 182.190 0.40 1 2024 195 198 TYR CA C 60.430 0.40 1 2025 195 198 TYR CB C 40.481 0.40 1 2026 195 198 TYR CD1 C 133.390 0.40 3 2027 195 198 TYR N N 128.898 0.40 1 stop_ save_