data_16021 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignments of juvenile hormone binding protein in complex with JH III ; _BMRB_accession_number 16021 _BMRB_flat_file_name bmr16021.str _Entry_type original _Submission_date 2008-11-05 _Accession_date 2008-11-05 _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 Tase Akira . . 2 Fujimoto Zui . . 3 Shiotsuki Takahiro . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1313 "13C chemical shifts" 1048 "15N chemical shifts" 242 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-03 update BMRB 'edit assembly name' 2009-08-20 update BMRB 'added PubMed ID' 2009-05-22 update BMRB 'complete entry citation' 2009-05-13 update BMRB 'add related entry loop' 2009-01-28 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 11073 'A more extended version of 16021' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR assignments of juvenile hormone binding protein in complex with JH III' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636950 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Suzuki Rintaro . . 2 Tase Akira . . 3 Fujimoto Zui . . 4 Shiotsuki Takahiro . . 5 Yamazaki Toshimasa . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 3 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 73 _Page_last 76 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name hJHBP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label hJHBP $hJHBP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details ; The ligand "JH III" has empirical formula of C16H26O3, and molecular weight of 266. It can be found in the KEGG COMPOUND database (COMPOUND ID: C09694) (Juvenile hormone III): http://www.genome.ad.jp/dbget-bin/www_bget?compound+C09694 ; save_ ######################## # Monomeric polymers # ######################## save_hJHBP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common hJHBP _Molecular_mass . _Mol_thiol_state 'free and disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 227 _Mol_residue_sequence ; GSDGDALLKPCKLGDMQCLS SATEQFLEKTSKGIPQYDIW PIDPLVVTSLDVIAPSDAGI VIRFKNLNITGLKNQQISDF QMDTKAKTVLLKTKADLHIV GDIVIELTEQSKSFTGLYTA DTNVIGAVRYGYNLKNDDNG VQHFEVQPETFTCESIGEPK ITLSSDLSSALEKDSGNNSL EPDMEPLKTLRQAAICKIAE ACYISVVHNIRASAKILPAS SFFENLN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 SER 3 1 ASP 4 2 GLY 5 3 ASP 6 4 ALA 7 5 LEU 8 6 LEU 9 7 LYS 10 8 PRO 11 9 CYS 12 10 LYS 13 11 LEU 14 12 GLY 15 13 ASP 16 14 MET 17 15 GLN 18 16 CYS 19 17 LEU 20 18 SER 21 19 SER 22 20 ALA 23 21 THR 24 22 GLU 25 23 GLN 26 24 PHE 27 25 LEU 28 26 GLU 29 27 LYS 30 28 THR 31 29 SER 32 30 LYS 33 31 GLY 34 32 ILE 35 33 PRO 36 34 GLN 37 35 TYR 38 36 ASP 39 37 ILE 40 38 TRP 41 39 PRO 42 40 ILE 43 41 ASP 44 42 PRO 45 43 LEU 46 44 VAL 47 45 VAL 48 46 THR 49 47 SER 50 48 LEU 51 49 ASP 52 50 VAL 53 51 ILE 54 52 ALA 55 53 PRO 56 54 SER 57 55 ASP 58 56 ALA 59 57 GLY 60 58 ILE 61 59 VAL 62 60 ILE 63 61 ARG 64 62 PHE 65 63 LYS 66 64 ASN 67 65 LEU 68 66 ASN 69 67 ILE 70 68 THR 71 69 GLY 72 70 LEU 73 71 LYS 74 72 ASN 75 73 GLN 76 74 GLN 77 75 ILE 78 76 SER 79 77 ASP 80 78 PHE 81 79 GLN 82 80 MET 83 81 ASP 84 82 THR 85 83 LYS 86 84 ALA 87 85 LYS 88 86 THR 89 87 VAL 90 88 LEU 91 89 LEU 92 90 LYS 93 91 THR 94 92 LYS 95 93 ALA 96 94 ASP 97 95 LEU 98 96 HIS 99 97 ILE 100 98 VAL 101 99 GLY 102 100 ASP 103 101 ILE 104 102 VAL 105 103 ILE 106 104 GLU 107 105 LEU 108 106 THR 109 107 GLU 110 108 GLN 111 109 SER 112 110 LYS 113 111 SER 114 112 PHE 115 113 THR 116 114 GLY 117 115 LEU 118 116 TYR 119 117 THR 120 118 ALA 121 119 ASP 122 120 THR 123 121 ASN 124 122 VAL 125 123 ILE 126 124 GLY 127 125 ALA 128 126 VAL 129 127 ARG 130 128 TYR 131 129 GLY 132 130 TYR 133 131 ASN 134 132 LEU 135 133 LYS 136 134 ASN 137 135 ASP 138 136 ASP 139 137 ASN 140 138 GLY 141 139 VAL 142 140 GLN 143 141 HIS 144 142 PHE 145 143 GLU 146 144 VAL 147 145 GLN 148 146 PRO 149 147 GLU 150 148 THR 151 149 PHE 152 150 THR 153 151 CYS 154 152 GLU 155 153 SER 156 154 ILE 157 155 GLY 158 156 GLU 159 157 PRO 160 158 LYS 161 159 ILE 162 160 THR 163 161 LEU 164 162 SER 165 163 SER 166 164 ASP 167 165 LEU 168 166 SER 169 167 SER 170 168 ALA 171 169 LEU 172 170 GLU 173 171 LYS 174 172 ASP 175 173 SER 176 174 GLY 177 175 ASN 178 176 ASN 179 177 SER 180 178 LEU 181 179 GLU 182 180 PRO 183 181 ASP 184 182 MET 185 183 GLU 186 184 PRO 187 185 LEU 188 186 LYS 189 187 THR 190 188 LEU 191 189 ARG 192 190 GLN 193 191 ALA 194 192 ALA 195 193 ILE 196 194 CYS 197 195 LYS 198 196 ILE 199 197 ALA 200 198 GLU 201 199 ALA 202 200 CYS 203 201 TYR 204 202 ILE 205 203 SER 206 204 VAL 207 205 VAL 208 206 HIS 209 207 ASN 210 208 ILE 211 209 ARG 212 210 ALA 213 211 SER 214 212 ALA 215 213 LYS 216 214 ILE 217 215 LEU 218 216 PRO 219 217 ALA 220 218 SER 221 219 SER 222 220 PHE 223 221 PHE 224 222 GLU 225 223 ASN 226 224 LEU 227 225 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 11073 hJHBP 100.00 227 100.00 100.00 1.22e-164 PDB 2RQF "Solution Structure Of Juvenile Hormone Binding Protein From Silkworm In Complex With Jh Iii" 100.00 227 100.00 100.00 1.22e-164 PDB 3A1Z "Crystal Structure Of Juvenile Hormone Binding Protein From S" 100.00 227 100.00 100.00 1.22e-164 PDB 3AOS "Crystal Structure Of Juvenile Hormone Binding Protein From Silkworm In Complex With Jh Ii" 100.00 227 100.00 100.00 1.22e-164 PDB 3AOT "Crystal Structure Of Juvenile Hormone Binding Protein From Silkworm In Its Apo Form" 100.00 227 100.00 100.00 1.22e-164 GB AAF19267 "hemolymph juvenile hormone binding protein precursor [Bombyx mori]" 100.00 243 99.56 99.56 3.71e-164 GB AAF19268 "hemolymph juvenile hormone binding protein precursor [Bombyx mori]" 100.00 243 98.24 99.56 3.10e-163 GB AAP41112 "juvenile hormone binding protein precursor [Bombyx mori]" 100.00 243 98.68 99.56 3.69e-163 REF NP_001037074 "hemolymph juvenile hormone binding protein precursor [Bombyx mori]" 100.00 243 98.24 99.56 3.10e-163 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $hJHBP Silkworm 7091 Eukaryota Metazoa Bombyx mori 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 $hJHBP 'recombinant technology' . Escherichia coli . pGEX-2T stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hJHBP 0.6-1.0 mM [U-15N] 'JH III' 0.6-1.0 mM 'natural abundance' 'sodium phosphate' 45 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_13C_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hJHBP 0.6-1.0 mM '[U-13C; U-15N]' 'JH III' 0.6-1.0 mM 'natural abundance' 'sodium phosphate' 45 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_13C_15N_in_100%_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hJHBP 0.6-1.0 mM '[U-13C; U-15N]' 'JH III' 0.6-1.0 mM 'natural abundance' 'sodium phosphate' 45 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version 3.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 'released at Feb 10, 2006' loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.113 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_DMX750 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $13C_15N_in_100%_D2O save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $13C_15N save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $13C_15N save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $13C_15N save_ save_3D_HCABGCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCABGCO' _Sample_label $13C_15N_in_100%_D2O save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $13C_15N_in_100%_D2O save_ save_3D_15N-separated_HOHAHA-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated HOHAHA-HSQC' _Sample_label $15N save_ save_3D_15N-separated_NOESY-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY-HSQC' _Sample_label $15N save_ save_3D_13C/15N-separated_NOESY-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C/15N-separated NOESY-HSQC' _Sample_label $13C_15N_in_100%_D2O save_ save_3D_13C-separated_NOESY-HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY-HSQC' _Sample_label $13C_15N_in_100%_D2O save_ save_3D_13C/13C-separated_NOESY-HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C/13C-separated NOESY-HSQC' _Sample_label $13C_15N_in_100%_D2O save_ ####################### # Sample conditions # ####################### save_pH_6.0_35C _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 . 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 TSP C 13 'methyl carbons' ppm 0.00 external direct . . . 1 TSP H 1 'methyl protons' ppm 0.00 external direct . . . 1 'ammonium hydroxide' N 15 nitrogen ppm 0.00 external direct . . . 1 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 'The error value of "." indicates that there's only one assignment for that chemical shift.' loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D CBCA(CO)NH' '3D HNCA' '3D HCABGCO' '3D HCCH-TOCSY' '3D 15N-separated HOHAHA-HSQC' '3D 15N-separated NOESY-HSQC' '3D 13C/15N-separated NOESY-HSQC' '3D 13C-separated NOESY-HSQC' '3D 13C/13C-separated NOESY-HSQC' stop_ loop_ _Sample_label $15N $13C_15N_in_100%_D2O $13C_15N stop_ _Sample_conditions_label $pH_6.0_35C _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name hJHBP _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 1 GLY HA2 H 3.909 0.002 2 2 -2 1 GLY HA3 H 3.909 0.002 2 3 -2 1 GLY C C 170.185 . 1 4 -2 1 GLY CA C 43.130 0.068 1 5 -1 2 SER HA H 4.565 0.006 1 6 -1 2 SER HB2 H 3.897 0.003 2 7 -1 2 SER HB3 H 3.864 0.004 2 8 -1 2 SER C C 174.290 0.018 1 9 -1 2 SER CA C 58.045 0.064 1 10 -1 2 SER CB C 63.736 0.045 1 11 1 3 ASP H H 8.550 0.002 1 12 1 3 ASP HA H 4.579 0.010 1 13 1 3 ASP HB2 H 2.677 . 2 14 1 3 ASP HB3 H 2.641 0.009 2 15 1 3 ASP C C 176.780 0.002 1 16 1 3 ASP CA C 54.599 0.116 1 17 1 3 ASP CB C 40.833 0.089 1 18 1 3 ASP CG C 177.807 . 1 19 1 3 ASP N N 122.491 0.042 1 20 2 4 GLY H H 8.314 0.002 1 21 2 4 GLY HA2 H 3.875 0.007 2 22 2 4 GLY HA3 H 3.875 0.007 2 23 2 4 GLY C C 173.864 0.010 1 24 2 4 GLY CA C 45.580 0.068 1 25 2 4 GLY N N 108.842 0.036 1 26 3 5 ASP H H 8.009 0.002 1 27 3 5 ASP HA H 4.536 0.006 1 28 3 5 ASP HB2 H 2.630 0.013 2 29 3 5 ASP HB3 H 2.630 0.013 2 30 3 5 ASP C C 175.715 0.004 1 31 3 5 ASP CA C 54.403 0.065 1 32 3 5 ASP CB C 40.961 0.060 1 33 3 5 ASP CG C 179.932 . 1 34 3 5 ASP N N 119.935 0.033 1 35 4 6 ALA H H 7.838 0.003 1 36 4 6 ALA HA H 4.309 0.006 1 37 4 6 ALA HB H 1.356 0.005 1 38 4 6 ALA C C 177.536 0.012 1 39 4 6 ALA CA C 51.920 0.084 1 40 4 6 ALA CB C 19.188 0.096 1 41 4 6 ALA N N 123.033 0.027 1 42 5 7 LEU H H 8.329 0.003 1 43 5 7 LEU HA H 3.985 0.008 1 44 5 7 LEU HB2 H 1.641 0.006 2 45 5 7 LEU HB3 H 1.511 0.010 2 46 5 7 LEU HD1 H 0.757 0.006 2 47 5 7 LEU HD2 H 0.700 0.010 2 48 5 7 LEU HG H 1.718 0.007 1 49 5 7 LEU C C 174.572 0.003 1 50 5 7 LEU CA C 57.218 0.111 1 51 5 7 LEU CB C 42.880 0.101 1 52 5 7 LEU CD1 C 24.383 0.119 2 53 5 7 LEU CD2 C 23.910 0.072 2 54 5 7 LEU CG C 26.906 0.109 1 55 5 7 LEU N N 120.553 0.032 1 56 6 8 LEU H H 7.080 0.002 1 57 6 8 LEU HA H 4.441 0.005 1 58 6 8 LEU HB2 H 1.460 0.004 2 59 6 8 LEU HB3 H 1.122 0.010 2 60 6 8 LEU HD1 H 0.276 0.013 2 61 6 8 LEU HD2 H 0.120 0.006 2 62 6 8 LEU HG H 1.085 0.009 1 63 6 8 LEU C C 174.500 0.004 1 64 6 8 LEU CA C 53.399 0.044 1 65 6 8 LEU CB C 44.692 0.061 1 66 6 8 LEU CD1 C 25.344 0.083 2 67 6 8 LEU CD2 C 25.558 0.105 2 68 6 8 LEU CG C 26.412 0.075 1 69 6 8 LEU N N 112.366 0.034 1 70 7 9 LYS H H 7.230 0.003 1 71 7 9 LYS HA H 4.707 0.009 1 72 7 9 LYS HB2 H 1.712 0.002 2 73 7 9 LYS HB3 H 1.660 0.009 2 74 7 9 LYS HD2 H 1.626 0.012 2 75 7 9 LYS HD3 H 1.626 0.012 2 76 7 9 LYS HE2 H 3.008 0.003 2 77 7 9 LYS HE3 H 2.930 0.002 2 78 7 9 LYS HG2 H 1.358 0.013 2 79 7 9 LYS HG3 H 1.289 0.006 2 80 7 9 LYS C C 172.206 . 1 81 7 9 LYS CA C 52.336 0.079 1 82 7 9 LYS CB C 33.505 0.068 1 83 7 9 LYS CD C 29.138 0.067 1 84 7 9 LYS CG C 24.001 0.078 1 85 7 9 LYS N N 122.037 0.031 1 86 8 10 PRO HA H 4.155 0.009 1 87 8 10 PRO HB2 H 1.898 0.004 2 88 8 10 PRO HB3 H 1.470 0.009 2 89 8 10 PRO HD2 H 3.657 0.007 2 90 8 10 PRO HD3 H 3.575 0.004 2 91 8 10 PRO HG2 H 1.973 0.012 2 92 8 10 PRO HG3 H 1.973 0.012 2 93 8 10 PRO C C 177.604 0.000 1 94 8 10 PRO CA C 61.675 0.125 1 95 8 10 PRO CB C 32.484 0.120 1 96 8 10 PRO CD C 50.072 0.076 1 97 8 10 PRO CG C 26.889 0.081 1 98 9 11 CYS H H 7.419 0.004 1 99 9 11 CYS HA H 5.332 0.007 1 100 9 11 CYS HB2 H 3.280 0.008 2 101 9 11 CYS HB3 H 2.448 0.008 2 102 9 11 CYS C C 175.643 0.003 1 103 9 11 CYS CA C 51.792 0.071 1 104 9 11 CYS CB C 42.786 0.093 1 105 9 11 CYS N N 115.600 0.035 1 106 10 12 LYS H H 9.479 0.004 1 107 10 12 LYS HA H 4.595 0.007 1 108 10 12 LYS HB2 H 1.873 0.008 2 109 10 12 LYS HB3 H 1.873 0.008 2 110 10 12 LYS HD2 H 1.770 0.009 2 111 10 12 LYS HD3 H 1.770 0.009 2 112 10 12 LYS HE2 H 3.072 0.001 2 113 10 12 LYS HE3 H 3.046 0.006 2 114 10 12 LYS HG2 H 1.701 0.007 2 115 10 12 LYS HG3 H 1.455 0.007 2 116 10 12 LYS C C 177.945 0.011 1 117 10 12 LYS CA C 56.586 0.086 1 118 10 12 LYS CB C 32.644 0.103 1 119 10 12 LYS CD C 29.066 0.092 1 120 10 12 LYS CE C 41.805 0.092 1 121 10 12 LYS CG C 25.752 0.074 1 122 10 12 LYS N N 123.413 0.040 1 123 11 13 LEU H H 9.333 0.005 1 124 11 13 LEU HA H 3.995 0.005 1 125 11 13 LEU HB2 H 1.498 0.010 2 126 11 13 LEU HB3 H 1.498 0.010 2 127 11 13 LEU HD1 H 0.707 0.008 2 128 11 13 LEU HD2 H 0.526 0.005 2 129 11 13 LEU HG H 1.487 0.008 1 130 11 13 LEU C C 178.004 0.018 1 131 11 13 LEU CA C 57.131 0.054 1 132 11 13 LEU CB C 41.237 0.042 1 133 11 13 LEU CD1 C 24.911 0.076 2 134 11 13 LEU CD2 C 24.321 0.099 2 135 11 13 LEU CG C 27.181 0.108 1 136 11 13 LEU N N 126.563 0.038 1 137 12 14 GLY H H 8.865 0.002 1 138 12 14 GLY HA2 H 4.356 0.007 2 139 12 14 GLY HA3 H 3.778 0.005 2 140 12 14 GLY C C 173.407 0.037 1 141 12 14 GLY CA C 45.018 0.064 1 142 12 14 GLY N N 112.988 0.033 1 143 13 15 ASP H H 7.699 0.005 1 144 13 15 ASP HA H 4.890 0.007 1 145 13 15 ASP HB2 H 3.335 0.010 2 146 13 15 ASP HB3 H 2.527 0.007 2 147 13 15 ASP C C 176.618 0.016 1 148 13 15 ASP CA C 52.291 0.050 1 149 13 15 ASP CB C 40.409 0.052 1 150 13 15 ASP CG C 181.092 0.027 1 151 13 15 ASP N N 118.927 0.062 1 152 14 16 MET H H 8.626 0.007 1 153 14 16 MET HA H 4.483 0.008 1 154 14 16 MET HB2 H 2.228 0.008 2 155 14 16 MET HB3 H 2.188 . 2 156 14 16 MET HE H 2.155 0.007 1 157 14 16 MET HG2 H 2.908 0.009 2 158 14 16 MET HG3 H 2.697 0.012 2 159 14 16 MET C C 178.782 0.017 1 160 14 16 MET CA C 56.209 0.099 1 161 14 16 MET CB C 31.004 0.070 1 162 14 16 MET CE C 16.530 0.090 1 163 14 16 MET CG C 32.341 0.070 1 164 14 16 MET N N 126.233 0.031 1 165 15 17 GLN H H 8.308 0.005 1 166 15 17 GLN HA H 4.206 0.005 1 167 15 17 GLN HB2 H 2.238 0.007 2 168 15 17 GLN HB3 H 2.238 0.007 2 169 15 17 GLN HE21 H 7.568 0.009 2 170 15 17 GLN HE22 H 6.872 0.001 2 171 15 17 GLN HG2 H 2.493 0.003 2 172 15 17 GLN HG3 H 2.437 0.004 2 173 15 17 GLN C C 178.596 0.016 1 174 15 17 GLN CA C 59.203 0.085 1 175 15 17 GLN CB C 27.746 0.069 1 176 15 17 GLN CD C 180.151 0.001 1 177 15 17 GLN CG C 34.062 0.099 1 178 15 17 GLN N N 122.314 0.032 1 179 15 17 GLN NE2 N 112.451 0.062 1 180 16 18 CYS H H 8.049 0.003 1 181 16 18 CYS HA H 4.218 0.009 1 182 16 18 CYS HB2 H 3.066 0.007 2 183 16 18 CYS HB3 H 2.924 0.010 2 184 16 18 CYS C C 177.002 0.010 1 185 16 18 CYS CA C 59.964 0.073 1 186 16 18 CYS CB C 37.519 0.079 1 187 16 18 CYS N N 121.267 0.045 1 188 17 19 LEU H H 8.174 0.004 1 189 17 19 LEU HA H 4.005 0.007 1 190 17 19 LEU HB2 H 1.635 0.009 2 191 17 19 LEU HB3 H 1.635 0.009 2 192 17 19 LEU HD1 H 0.547 0.009 2 193 17 19 LEU HD2 H 0.365 0.013 2 194 17 19 LEU HG H 1.383 0.008 1 195 17 19 LEU C C 180.549 0.005 1 196 17 19 LEU CA C 57.713 0.090 1 197 17 19 LEU CB C 42.028 0.083 1 198 17 19 LEU CD1 C 23.496 0.076 2 199 17 19 LEU CD2 C 25.449 0.081 2 200 17 19 LEU CG C 26.887 0.103 1 201 17 19 LEU N N 121.647 0.048 1 202 18 20 SER H H 8.540 0.003 1 203 18 20 SER HA H 4.240 0.007 1 204 18 20 SER HB2 H 4.152 0.002 2 205 18 20 SER HB3 H 4.072 0.007 2 206 18 20 SER C C 176.438 0.039 1 207 18 20 SER CA C 62.646 0.084 1 208 18 20 SER CB C 62.615 0.095 1 209 18 20 SER N N 117.750 0.029 1 210 19 21 SER H H 7.718 0.005 1 211 19 21 SER HA H 4.459 0.007 1 212 19 21 SER HB2 H 4.067 0.009 2 213 19 21 SER HB3 H 4.067 0.009 2 214 19 21 SER C C 176.839 0.005 1 215 19 21 SER CA C 61.475 0.082 1 216 19 21 SER CB C 62.626 0.094 1 217 19 21 SER N N 119.420 0.067 1 218 20 22 ALA H H 9.205 0.005 1 219 20 22 ALA HA H 4.140 0.006 1 220 20 22 ALA HB H 1.566 0.007 1 221 20 22 ALA C C 180.071 0.023 1 222 20 22 ALA CA C 55.119 0.081 1 223 20 22 ALA CB C 18.706 0.074 1 224 20 22 ALA N N 125.662 0.043 1 225 21 23 THR H H 8.340 0.006 1 226 21 23 THR HA H 4.470 0.008 1 227 21 23 THR HB H 3.816 0.012 1 228 21 23 THR HG2 H 1.236 0.009 1 229 21 23 THR C C 174.657 0.017 1 230 21 23 THR CA C 68.295 0.132 1 231 21 23 THR CB C 68.247 0.112 1 232 21 23 THR CG2 C 19.967 0.113 1 233 21 23 THR N N 116.998 0.049 1 234 22 24 GLU H H 7.844 0.003 1 235 22 24 GLU HA H 4.228 0.006 1 236 22 24 GLU HB2 H 2.266 0.012 2 237 22 24 GLU HB3 H 2.266 0.012 2 238 22 24 GLU HG2 H 2.571 0.009 2 239 22 24 GLU HG3 H 2.355 0.010 2 240 22 24 GLU C C 179.322 0.006 1 241 22 24 GLU CA C 59.616 0.081 1 242 22 24 GLU CB C 29.561 0.069 1 243 22 24 GLU CD C 183.349 0.014 1 244 22 24 GLU CG C 35.777 0.076 1 245 22 24 GLU N N 121.350 0.046 1 246 23 25 GLN H H 7.871 0.003 1 247 23 25 GLN HA H 4.179 0.007 1 248 23 25 GLN HB2 H 2.240 0.011 2 249 23 25 GLN HB3 H 2.240 0.011 2 250 23 25 GLN HE21 H 7.011 0.003 2 251 23 25 GLN HE22 H 6.649 0.004 2 252 23 25 GLN HG2 H 2.518 0.011 2 253 23 25 GLN HG3 H 2.374 0.008 2 254 23 25 GLN C C 177.291 0.002 1 255 23 25 GLN CA C 58.781 0.079 1 256 23 25 GLN CB C 28.608 0.103 1 257 23 25 GLN CD C 179.584 0.019 1 258 23 25 GLN CG C 33.503 0.090 1 259 23 25 GLN N N 118.311 0.043 1 260 23 25 GLN NE2 N 110.611 0.030 1 261 24 26 PHE H H 8.749 0.006 1 262 24 26 PHE HA H 4.361 0.009 1 263 24 26 PHE HB2 H 3.232 0.011 2 264 24 26 PHE HB3 H 2.929 0.015 2 265 24 26 PHE HD1 H 6.916 0.012 3 266 24 26 PHE HD2 H 6.916 0.012 3 267 24 26 PHE HE1 H 7.252 0.005 3 268 24 26 PHE HE2 H 7.252 0.005 3 269 24 26 PHE C C 179.971 0.000 1 270 24 26 PHE CA C 61.800 0.077 1 271 24 26 PHE CB C 40.153 0.090 1 272 24 26 PHE CD1 C 131.408 0.133 3 273 24 26 PHE CD2 C 131.408 0.133 3 274 24 26 PHE CE1 C 131.015 0.129 3 275 24 26 PHE CE2 C 131.015 0.129 3 276 24 26 PHE N N 121.608 0.076 1 277 25 27 LEU H H 9.055 0.007 1 278 25 27 LEU HA H 3.907 0.011 1 279 25 27 LEU HB2 H 2.166 0.012 2 280 25 27 LEU HB3 H 1.469 0.010 2 281 25 27 LEU HD1 H 0.990 0.006 2 282 25 27 LEU HD2 H 0.824 0.010 2 283 25 27 LEU HG H 2.071 0.006 1 284 25 27 LEU C C 178.401 0.020 1 285 25 27 LEU CA C 57.485 0.103 1 286 25 27 LEU CB C 41.493 0.108 1 287 25 27 LEU CD1 C 27.546 0.099 2 288 25 27 LEU CD2 C 22.367 0.077 2 289 25 27 LEU CG C 27.050 . 1 290 25 27 LEU N N 120.861 0.035 1 291 26 28 GLU H H 7.947 0.005 1 292 26 28 GLU HA H 4.049 0.007 1 293 26 28 GLU HB2 H 2.242 0.009 2 294 26 28 GLU HB3 H 2.242 0.009 2 295 26 28 GLU HG2 H 2.247 0.033 2 296 26 28 GLU HG3 H 2.337 0.030 2 297 26 28 GLU C C 179.861 0.007 1 298 26 28 GLU CA C 59.813 0.078 1 299 26 28 GLU CB C 28.805 0.079 1 300 26 28 GLU CD C 182.932 0.003 1 301 26 28 GLU CG C 35.468 0.127 1 302 26 28 GLU N N 120.080 0.055 1 303 27 29 LYS H H 8.139 0.004 1 304 27 29 LYS HA H 4.137 0.012 1 305 27 29 LYS HB2 H 1.906 0.009 2 306 27 29 LYS HB3 H 1.906 0.009 2 307 27 29 LYS HD2 H 1.712 0.010 2 308 27 29 LYS HD3 H 1.712 0.010 2 309 27 29 LYS HE2 H 3.004 0.005 2 310 27 29 LYS HE3 H 2.940 0.009 2 311 27 29 LYS HG2 H 1.721 0.009 2 312 27 29 LYS HG3 H 1.586 0.009 2 313 27 29 LYS C C 178.830 0.007 1 314 27 29 LYS CA C 58.305 0.089 1 315 27 29 LYS CB C 33.111 0.076 1 316 27 29 LYS CD C 28.888 0.111 1 317 27 29 LYS CE C 41.874 0.090 1 318 27 29 LYS CG C 25.611 0.108 1 319 27 29 LYS N N 117.022 0.037 1 320 28 30 THR H H 7.794 0.007 1 321 28 30 THR HA H 3.958 0.008 1 322 28 30 THR HB H 4.009 0.007 1 323 28 30 THR HG2 H 0.466 0.006 1 324 28 30 THR C C 176.980 0.000 1 325 28 30 THR CA C 62.534 0.096 1 326 28 30 THR CB C 70.284 0.075 1 327 28 30 THR CG2 C 21.338 0.085 1 328 28 30 THR N N 106.005 0.040 1 329 29 31 SER H H 7.482 0.004 1 330 29 31 SER HA H 3.967 0.007 1 331 29 31 SER HB2 H 4.391 0.010 2 332 29 31 SER HB3 H 4.391 0.010 2 333 29 31 SER C C 175.510 0.024 1 334 29 31 SER CA C 63.063 0.084 1 335 29 31 SER CB C 62.538 0.089 1 336 29 31 SER N N 117.422 0.037 1 337 30 32 LYS H H 7.938 0.005 1 338 30 32 LYS HA H 4.628 0.006 1 339 30 32 LYS HB2 H 2.134 0.008 2 340 30 32 LYS HB3 H 1.813 0.013 2 341 30 32 LYS HD2 H 1.758 0.011 2 342 30 32 LYS HD3 H 1.758 0.011 2 343 30 32 LYS HE2 H 3.083 0.006 2 344 30 32 LYS HE3 H 3.083 0.006 2 345 30 32 LYS HG2 H 1.573 0.005 2 346 30 32 LYS HG3 H 1.573 0.005 2 347 30 32 LYS C C 177.233 0.019 1 348 30 32 LYS CA C 55.349 0.078 1 349 30 32 LYS CB C 31.757 0.094 1 350 30 32 LYS CD C 28.430 0.100 1 351 30 32 LYS CE C 41.963 0.084 1 352 30 32 LYS CG C 24.763 0.069 1 353 30 32 LYS N N 118.193 0.029 1 354 31 33 GLY H H 7.980 0.005 1 355 31 33 GLY HA2 H 4.224 0.009 2 356 31 33 GLY HA3 H 3.316 0.008 2 357 31 33 GLY C C 172.467 0.001 1 358 31 33 GLY CA C 43.624 0.100 1 359 31 33 GLY N N 109.415 0.020 1 360 32 34 ILE H H 8.329 0.006 1 361 32 34 ILE HA H 4.439 0.010 1 362 32 34 ILE HB H 1.941 0.007 1 363 32 34 ILE HD1 H 0.821 0.008 1 364 32 34 ILE HG12 H 1.112 0.005 2 365 32 34 ILE HG13 H 1.112 0.005 2 366 32 34 ILE HG2 H 0.687 0.008 1 367 32 34 ILE C C 174.389 . 1 368 32 34 ILE CA C 59.883 0.125 1 369 32 34 ILE CB C 40.030 0.075 1 370 32 34 ILE CD1 C 14.411 0.084 1 371 32 34 ILE CG1 C 26.797 0.083 1 372 32 34 ILE CG2 C 18.516 0.085 1 373 32 34 ILE N N 116.722 0.059 1 374 33 35 PRO HA H 4.434 0.008 1 375 33 35 PRO HB2 H 2.497 0.009 2 376 33 35 PRO HB3 H 2.043 0.008 2 377 33 35 PRO HD2 H 3.928 0.009 2 378 33 35 PRO HD3 H 3.628 0.008 2 379 33 35 PRO HG2 H 2.164 0.006 2 380 33 35 PRO HG3 H 2.127 0.008 2 381 33 35 PRO C C 179.597 0.019 1 382 33 35 PRO CA C 65.969 0.081 1 383 33 35 PRO CB C 31.975 0.091 1 384 33 35 PRO CD C 50.811 0.059 1 385 33 35 PRO CG C 27.065 0.072 1 386 34 36 GLN H H 9.341 0.004 1 387 34 36 GLN HA H 4.157 0.008 1 388 34 36 GLN HB2 H 1.903 0.008 2 389 34 36 GLN HB3 H 1.711 0.007 2 390 34 36 GLN HE21 H 7.204 0.001 2 391 34 36 GLN HE22 H 6.762 0.001 2 392 34 36 GLN HG2 H 1.999 0.008 2 393 34 36 GLN HG3 H 1.774 0.007 2 394 34 36 GLN C C 175.997 0.016 1 395 34 36 GLN CA C 58.308 0.079 1 396 34 36 GLN CB C 27.022 0.092 1 397 34 36 GLN CD C 180.217 0.001 1 398 34 36 GLN CG C 32.567 0.080 1 399 34 36 GLN N N 117.665 0.043 1 400 34 36 GLN NE2 N 111.572 0.045 1 401 35 37 TYR H H 7.298 0.004 1 402 35 37 TYR HA H 5.086 0.005 1 403 35 37 TYR HB2 H 3.466 0.008 2 404 35 37 TYR HB3 H 2.523 0.015 2 405 35 37 TYR HD1 H 6.930 0.008 3 406 35 37 TYR HD2 H 6.930 0.008 3 407 35 37 TYR HE1 H 6.817 0.003 3 408 35 37 TYR HE2 H 6.817 0.003 3 409 35 37 TYR C C 174.995 0.016 1 410 35 37 TYR CA C 53.522 0.080 1 411 35 37 TYR CB C 39.361 0.118 1 412 35 37 TYR CD1 C 131.161 0.072 3 413 35 37 TYR CD2 C 131.161 0.072 3 414 35 37 TYR CE1 C 117.913 0.081 3 415 35 37 TYR CE2 C 117.913 0.081 3 416 35 37 TYR N N 116.819 0.049 1 417 36 38 ASP H H 8.287 0.006 1 418 36 38 ASP HA H 4.467 0.009 1 419 36 38 ASP HB2 H 3.301 0.006 2 420 36 38 ASP HB3 H 2.510 0.005 2 421 36 38 ASP C C 173.461 0.019 1 422 36 38 ASP CA C 55.436 0.042 1 423 36 38 ASP CB C 40.402 0.100 1 424 36 38 ASP CG C 181.689 0.013 1 425 36 38 ASP N N 117.982 0.063 1 426 37 39 ILE H H 7.325 0.004 1 427 37 39 ILE HA H 4.212 0.008 1 428 37 39 ILE HB H 1.798 0.009 1 429 37 39 ILE HD1 H 0.873 0.013 1 430 37 39 ILE HG2 H 0.813 0.008 1 431 37 39 ILE C C 177.159 . 1 432 37 39 ILE CA C 60.091 0.092 1 433 37 39 ILE CB C 37.684 0.080 1 434 37 39 ILE CD1 C 13.612 0.105 1 435 37 39 ILE CG2 C 17.471 0.106 1 436 37 39 ILE N N 117.609 0.062 1 437 38 40 TRP H H 10.148 0.004 1 438 38 40 TRP HA H 5.168 0.006 1 439 38 40 TRP HB2 H 3.323 0.012 2 440 38 40 TRP HB3 H 3.051 0.013 2 441 38 40 TRP HD1 H 6.706 0.007 1 442 38 40 TRP HE1 H 9.845 0.003 1 443 38 40 TRP HE3 H 7.431 0.008 1 444 38 40 TRP HH2 H 7.014 0.005 1 445 38 40 TRP HZ2 H 7.105 0.002 1 446 38 40 TRP HZ3 H 6.894 0.007 1 447 38 40 TRP C C 173.559 . 1 448 38 40 TRP CA C 52.980 0.091 1 449 38 40 TRP CB C 28.516 0.064 1 450 38 40 TRP CD1 C 124.107 0.077 1 451 38 40 TRP CE3 C 120.130 0.093 1 452 38 40 TRP CH2 C 124.349 0.035 1 453 38 40 TRP CZ2 C 113.529 0.047 1 454 38 40 TRP CZ3 C 121.095 0.107 1 455 38 40 TRP N N 138.113 0.041 1 456 38 40 TRP NE1 N 128.618 0.040 1 457 39 41 PRO HA H 4.227 0.004 1 458 39 41 PRO HB2 H 2.205 0.009 2 459 39 41 PRO HB3 H 1.924 0.011 2 460 39 41 PRO HD2 H 4.012 0.008 2 461 39 41 PRO HD3 H 3.710 0.006 2 462 39 41 PRO HG2 H 2.019 0.015 2 463 39 41 PRO HG3 H 2.019 0.015 2 464 39 41 PRO C C 177.012 0.006 1 465 39 41 PRO CA C 63.575 0.099 1 466 39 41 PRO CB C 31.611 0.112 1 467 39 41 PRO CD C 50.064 0.091 1 468 39 41 PRO CG C 27.413 0.094 1 469 40 42 ILE H H 7.537 0.005 1 470 40 42 ILE HA H 4.709 0.006 1 471 40 42 ILE HB H 1.956 0.008 1 472 40 42 ILE HD1 H 0.731 0.006 1 473 40 42 ILE HG12 H 1.214 0.010 2 474 40 42 ILE HG13 H 1.214 0.010 2 475 40 42 ILE HG2 H 0.798 0.008 1 476 40 42 ILE C C 174.977 0.017 1 477 40 42 ILE CA C 59.253 0.113 1 478 40 42 ILE CB C 41.543 0.077 1 479 40 42 ILE CD1 C 15.182 0.076 1 480 40 42 ILE CG1 C 27.337 0.092 1 481 40 42 ILE CG2 C 19.307 0.107 1 482 40 42 ILE N N 112.932 0.045 1 483 41 43 ASP H H 7.751 0.004 1 484 41 43 ASP HA H 4.864 0.009 1 485 41 43 ASP HB2 H 2.937 0.008 2 486 41 43 ASP HB3 H 2.369 0.008 2 487 41 43 ASP CA C 52.662 0.078 1 488 41 43 ASP CB C 42.567 0.105 1 489 41 43 ASP CG C 180.321 0.022 1 490 41 43 ASP N N 119.341 0.043 1 491 42 44 PRO HA H 4.930 0.010 1 492 42 44 PRO HB2 H 2.267 0.009 2 493 42 44 PRO HB3 H 1.815 0.010 2 494 42 44 PRO HD2 H 3.645 0.003 2 495 42 44 PRO HD3 H 3.595 0.005 2 496 42 44 PRO HG2 H 2.017 0.007 2 497 42 44 PRO HG3 H 1.871 0.009 2 498 42 44 PRO C C 174.752 0.029 1 499 42 44 PRO CA C 63.287 0.066 1 500 42 44 PRO CB C 34.170 0.073 1 501 42 44 PRO CD C 50.339 0.055 1 502 42 44 PRO CG C 25.518 0.080 1 503 43 45 LEU H H 8.833 0.004 1 504 43 45 LEU HA H 4.472 0.009 1 505 43 45 LEU HB2 H 1.637 0.011 2 506 43 45 LEU HB3 H 1.637 0.011 2 507 43 45 LEU HD1 H 1.095 0.007 2 508 43 45 LEU HD2 H 0.890 0.007 2 509 43 45 LEU HG H 1.501 0.012 1 510 43 45 LEU C C 174.882 0.005 1 511 43 45 LEU CA C 53.868 0.094 1 512 43 45 LEU CB C 43.786 0.097 1 513 43 45 LEU CD1 C 25.347 0.088 2 514 43 45 LEU CD2 C 27.533 0.093 2 515 43 45 LEU CG C 27.638 0.097 1 516 43 45 LEU N N 125.478 0.051 1 517 44 46 VAL H H 8.260 0.004 1 518 44 46 VAL HA H 5.176 0.007 1 519 44 46 VAL HB H 1.792 0.005 1 520 44 46 VAL HG1 H 0.703 0.010 2 521 44 46 VAL HG2 H 0.827 0.006 2 522 44 46 VAL C C 176.328 0.011 1 523 44 46 VAL CA C 60.258 0.075 1 524 44 46 VAL CB C 33.184 0.030 1 525 44 46 VAL CG1 C 20.331 0.076 2 526 44 46 VAL CG2 C 20.703 0.036 2 527 44 46 VAL N N 126.116 0.038 1 528 45 47 VAL H H 8.764 0.006 1 529 45 47 VAL HA H 4.227 0.006 1 530 45 47 VAL HB H 1.847 0.012 1 531 45 47 VAL HG1 H 0.790 0.007 2 532 45 47 VAL HG2 H 0.717 0.011 2 533 45 47 VAL C C 175.737 0.014 1 534 45 47 VAL CA C 60.630 0.096 1 535 45 47 VAL CB C 33.468 0.132 1 536 45 47 VAL CG1 C 21.144 0.094 2 537 45 47 VAL CG2 C 20.385 0.095 2 538 45 47 VAL N N 129.541 0.026 1 539 46 48 THR H H 8.721 0.002 1 540 46 48 THR HA H 3.811 0.004 1 541 46 48 THR HB H 4.135 0.004 1 542 46 48 THR HG2 H 1.259 0.005 1 543 46 48 THR C C 175.728 0.001 1 544 46 48 THR CA C 66.908 0.077 1 545 46 48 THR CB C 68.245 0.091 1 546 46 48 THR CG2 C 22.130 0.046 1 547 46 48 THR N N 122.232 0.021 1 548 47 49 SER H H 7.425 0.003 1 549 47 49 SER HA H 5.103 0.007 1 550 47 49 SER HB2 H 3.854 0.005 2 551 47 49 SER HB3 H 3.721 0.005 2 552 47 49 SER C C 171.935 0.031 1 553 47 49 SER CA C 57.328 0.076 1 554 47 49 SER CB C 64.646 0.082 1 555 47 49 SER N N 113.416 0.042 1 556 48 50 LEU H H 8.215 0.004 1 557 48 50 LEU HA H 4.446 0.005 1 558 48 50 LEU HB2 H 1.553 0.013 2 559 48 50 LEU HB3 H 1.437 0.010 2 560 48 50 LEU HD1 H 0.882 0.008 2 561 48 50 LEU HD2 H 0.604 0.006 2 562 48 50 LEU HG H 1.476 0.010 1 563 48 50 LEU C C 173.180 0.031 1 564 48 50 LEU CA C 55.672 0.086 1 565 48 50 LEU CB C 46.275 0.108 1 566 48 50 LEU CD1 C 24.601 0.098 2 567 48 50 LEU CD2 C 26.466 0.091 2 568 48 50 LEU CG C 27.206 0.118 1 569 48 50 LEU N N 125.956 0.038 1 570 49 51 ASP H H 8.602 0.003 1 571 49 51 ASP HA H 5.697 0.006 1 572 49 51 ASP HB2 H 2.515 0.009 2 573 49 51 ASP HB3 H 2.336 0.009 2 574 49 51 ASP C C 175.322 0.004 1 575 49 51 ASP CA C 52.964 0.077 1 576 49 51 ASP CB C 42.598 0.100 1 577 49 51 ASP CG C 178.886 0.002 1 578 49 51 ASP N N 126.928 0.048 1 579 50 52 VAL H H 9.532 0.006 1 580 50 52 VAL HA H 4.239 0.009 1 581 50 52 VAL HB H 1.972 0.010 1 582 50 52 VAL HG1 H 0.919 0.008 2 583 50 52 VAL HG2 H 0.744 0.011 2 584 50 52 VAL C C 173.255 0.028 1 585 50 52 VAL CA C 61.170 0.086 1 586 50 52 VAL CB C 34.668 0.097 1 587 50 52 VAL CG1 C 21.120 0.104 2 588 50 52 VAL CG2 C 20.513 0.117 2 589 50 52 VAL N N 122.560 0.050 1 590 51 53 ILE H H 8.442 0.003 1 591 51 53 ILE HA H 4.505 0.008 1 592 51 53 ILE HB H 1.780 0.007 1 593 51 53 ILE HD1 H 0.882 0.006 1 594 51 53 ILE HG12 H 1.538 0.008 2 595 51 53 ILE HG13 H 1.197 0.010 2 596 51 53 ILE HG2 H 0.992 0.008 1 597 51 53 ILE C C 175.963 0.009 1 598 51 53 ILE CA C 60.093 0.057 1 599 51 53 ILE CB C 38.589 0.078 1 600 51 53 ILE CD1 C 13.027 0.063 1 601 51 53 ILE CG1 C 28.017 0.063 1 602 51 53 ILE CG2 C 17.736 0.074 1 603 51 53 ILE N N 127.800 0.045 1 604 52 54 ALA H H 8.259 0.007 1 605 52 54 ALA HA H 4.523 0.006 1 606 52 54 ALA HB H 1.483 0.009 1 607 52 54 ALA C C 176.320 . 1 608 52 54 ALA CA C 50.675 0.070 1 609 52 54 ALA CB C 18.226 0.091 1 610 52 54 ALA N N 131.389 0.038 1 611 53 55 PRO HA H 4.417 0.006 1 612 53 55 PRO HB2 H 2.321 0.006 2 613 53 55 PRO HB3 H 2.039 0.004 2 614 53 55 PRO HD2 H 3.856 0.009 2 615 53 55 PRO HD3 H 3.856 0.009 2 616 53 55 PRO HG2 H 2.122 0.010 2 617 53 55 PRO HG3 H 2.122 0.010 2 618 53 55 PRO C C 177.199 0.008 1 619 53 55 PRO CA C 63.863 0.060 1 620 53 55 PRO CB C 31.586 0.062 1 621 53 55 PRO CD C 50.677 0.054 1 622 53 55 PRO CG C 27.484 0.063 1 623 54 56 SER H H 7.970 0.003 1 624 54 56 SER HA H 4.382 0.009 1 625 54 56 SER HB2 H 3.981 0.012 2 626 54 56 SER HB3 H 3.878 0.006 2 627 54 56 SER C C 174.396 0.008 1 628 54 56 SER CA C 58.470 0.064 1 629 54 56 SER CB C 63.368 0.082 1 630 54 56 SER N N 111.865 0.023 1 631 55 57 ASP H H 7.892 0.006 1 632 55 57 ASP HA H 4.508 0.007 1 633 55 57 ASP HB2 H 2.709 0.010 2 634 55 57 ASP HB3 H 2.611 0.008 2 635 55 57 ASP C C 174.774 0.009 1 636 55 57 ASP CA C 54.690 0.070 1 637 55 57 ASP CB C 40.569 0.083 1 638 55 57 ASP CG C 177.767 . 1 639 55 57 ASP N N 120.096 0.039 1 640 56 58 ALA H H 8.077 0.003 1 641 56 58 ALA HA H 4.237 0.005 1 642 56 58 ALA HB H 1.391 0.002 1 643 56 58 ALA C C 177.576 0.005 1 644 56 58 ALA CA C 52.978 0.063 1 645 56 58 ALA CB C 18.659 0.057 1 646 56 58 ALA N N 123.579 0.032 1 647 57 59 GLY H H 8.361 0.004 1 648 57 59 GLY HA2 H 4.069 0.007 2 649 57 59 GLY HA3 H 3.798 0.010 2 650 57 59 GLY C C 174.099 0.006 1 651 57 59 GLY CA C 45.818 0.068 1 652 57 59 GLY N N 105.471 0.023 1 653 58 60 ILE H H 7.768 0.004 1 654 58 60 ILE HA H 4.987 0.007 1 655 58 60 ILE HB H 1.830 0.009 1 656 58 60 ILE HD1 H 0.757 0.009 1 657 58 60 ILE HG12 H 1.509 0.008 2 658 58 60 ILE HG13 H 0.973 0.010 2 659 58 60 ILE HG2 H 0.751 0.007 1 660 58 60 ILE C C 173.851 0.009 1 661 58 60 ILE CA C 60.433 0.088 1 662 58 60 ILE CB C 39.707 0.101 1 663 58 60 ILE CD1 C 13.681 0.120 1 664 58 60 ILE CG1 C 26.978 0.078 1 665 58 60 ILE CG2 C 16.774 0.090 1 666 58 60 ILE N N 121.622 0.037 1 667 59 61 VAL H H 8.723 0.005 1 668 59 61 VAL HA H 4.502 0.008 1 669 59 61 VAL HB H 1.913 0.011 1 670 59 61 VAL HG1 H 0.886 0.011 2 671 59 61 VAL HG2 H 0.741 0.007 2 672 59 61 VAL C C 173.564 0.009 1 673 59 61 VAL CA C 61.154 0.089 1 674 59 61 VAL CB C 34.748 0.079 1 675 59 61 VAL CG1 C 21.173 0.089 2 676 59 61 VAL CG2 C 16.672 0.060 2 677 59 61 VAL N N 127.068 0.034 1 678 60 62 ILE H H 8.961 0.005 1 679 60 62 ILE HA H 4.568 0.007 1 680 60 62 ILE HB H 1.746 0.006 1 681 60 62 ILE HD1 H 0.718 0.011 1 682 60 62 ILE HG12 H 1.301 0.009 2 683 60 62 ILE HG13 H 1.059 0.007 2 684 60 62 ILE HG2 H 0.027 0.004 1 685 60 62 ILE C C 173.873 0.016 1 686 60 62 ILE CA C 59.029 0.067 1 687 60 62 ILE CB C 38.687 0.093 1 688 60 62 ILE CD1 C 13.756 0.107 1 689 60 62 ILE CG1 C 28.350 0.093 1 690 60 62 ILE CG2 C 18.742 0.066 1 691 60 62 ILE N N 127.066 0.042 1 692 61 63 ARG H H 9.114 0.005 1 693 61 63 ARG HA H 5.095 0.011 1 694 61 63 ARG HB2 H 1.679 0.009 2 695 61 63 ARG HB3 H 1.679 0.009 2 696 61 63 ARG HD2 H 3.029 0.011 2 697 61 63 ARG HD3 H 2.873 0.006 2 698 61 63 ARG HE H 7.635 0.002 1 699 61 63 ARG HG2 H 1.449 0.011 2 700 61 63 ARG HG3 H 1.338 0.011 2 701 61 63 ARG C C 175.261 0.010 1 702 61 63 ARG CA C 53.983 0.080 1 703 61 63 ARG CB C 30.784 0.089 1 704 61 63 ARG CD C 43.044 0.103 1 705 61 63 ARG CG C 27.386 0.077 1 706 61 63 ARG N N 125.480 0.042 1 707 61 63 ARG NE N 86.477 0.034 1 708 62 64 PHE H H 9.240 0.005 1 709 62 64 PHE HA H 5.523 0.007 1 710 62 64 PHE HB2 H 3.085 0.011 2 711 62 64 PHE HB3 H 2.713 0.010 2 712 62 64 PHE HD1 H 6.948 0.007 3 713 62 64 PHE HD2 H 6.948 0.007 3 714 62 64 PHE HE1 H 6.266 0.012 3 715 62 64 PHE HE2 H 6.266 0.012 3 716 62 64 PHE HZ H 6.118 0.007 1 717 62 64 PHE C C 176.898 0.010 1 718 62 64 PHE CA C 56.342 0.111 1 719 62 64 PHE CB C 41.533 0.101 1 720 62 64 PHE CD1 C 131.175 0.123 3 721 62 64 PHE CD2 C 131.175 0.123 3 722 62 64 PHE CE1 C 130.336 0.135 3 723 62 64 PHE CE2 C 130.336 0.135 3 724 62 64 PHE CZ C 128.027 0.070 1 725 62 64 PHE N N 121.473 0.038 1 726 63 65 LYS H H 8.934 0.006 1 727 63 65 LYS HA H 5.018 0.006 1 728 63 65 LYS HB2 H 1.855 0.008 2 729 63 65 LYS HB3 H 1.694 0.008 2 730 63 65 LYS HD2 H 1.669 0.013 2 731 63 65 LYS HD3 H 1.669 0.013 2 732 63 65 LYS HE2 H 2.891 0.002 2 733 63 65 LYS HE3 H 2.834 0.005 2 734 63 65 LYS HG2 H 1.390 0.006 2 735 63 65 LYS HG3 H 1.390 0.006 2 736 63 65 LYS C C 174.413 0.035 1 737 63 65 LYS CA C 54.250 0.088 1 738 63 65 LYS CB C 36.659 0.093 1 739 63 65 LYS CD C 28.897 0.106 1 740 63 65 LYS CE C 41.732 0.114 1 741 63 65 LYS CG C 24.890 0.074 1 742 63 65 LYS N N 121.144 0.049 1 743 64 66 ASN H H 8.611 0.003 1 744 64 66 ASN HA H 4.119 0.007 1 745 64 66 ASN HB2 H 3.009 0.008 2 746 64 66 ASN HB3 H 2.850 0.008 2 747 64 66 ASN HD21 H 7.919 0.002 2 748 64 66 ASN HD22 H 6.827 0.002 2 749 64 66 ASN C C 175.047 0.005 1 750 64 66 ASN CA C 53.866 0.064 1 751 64 66 ASN CB C 36.817 0.059 1 752 64 66 ASN CG C 178.397 0.002 1 753 64 66 ASN N N 117.888 0.048 1 754 64 66 ASN ND2 N 115.210 0.037 1 755 65 67 LEU H H 8.111 0.004 1 756 65 67 LEU HA H 4.742 0.006 1 757 65 67 LEU HB2 H 1.805 0.009 2 758 65 67 LEU HB3 H 1.127 0.009 2 759 65 67 LEU HD1 H 0.450 0.006 2 760 65 67 LEU HD2 H 0.407 0.005 2 761 65 67 LEU HG H 1.375 0.011 1 762 65 67 LEU C C 175.904 0.034 1 763 65 67 LEU CA C 54.727 0.094 1 764 65 67 LEU CB C 43.855 0.097 1 765 65 67 LEU CD1 C 23.803 0.085 2 766 65 67 LEU CD2 C 25.934 0.087 2 767 65 67 LEU CG C 26.760 0.091 1 768 65 67 LEU N N 117.598 0.056 1 769 66 68 ASN H H 9.529 0.005 1 770 66 68 ASN HA H 5.273 0.005 1 771 66 68 ASN HB2 H 2.736 0.005 2 772 66 68 ASN HB3 H 2.606 0.006 2 773 66 68 ASN HD21 H 7.043 0.002 2 774 66 68 ASN HD22 H 6.592 0.002 2 775 66 68 ASN C C 174.880 0.035 1 776 66 68 ASN CA C 52.594 0.090 1 777 66 68 ASN CB C 41.563 0.085 1 778 66 68 ASN CG C 176.226 0.006 1 779 66 68 ASN N N 123.331 0.035 1 780 66 68 ASN ND2 N 110.509 0.051 1 781 67 69 ILE H H 9.540 0.006 1 782 67 69 ILE HA H 5.250 0.011 1 783 67 69 ILE HB H 1.918 0.009 1 784 67 69 ILE HD1 H 0.711 0.007 1 785 67 69 ILE HG12 H 1.404 0.010 2 786 67 69 ILE HG13 H 0.910 0.007 2 787 67 69 ILE HG2 H 0.907 0.009 1 788 67 69 ILE C C 176.512 0.035 1 789 67 69 ILE CA C 60.807 0.098 1 790 67 69 ILE CB C 41.165 0.098 1 791 67 69 ILE CD1 C 16.514 0.094 1 792 67 69 ILE CG1 C 29.765 0.113 1 793 67 69 ILE CG2 C 20.285 0.100 1 794 67 69 ILE N N 126.656 0.018 1 795 68 70 THR H H 9.453 0.005 1 796 68 70 THR HA H 5.200 0.006 1 797 68 70 THR HB H 4.369 0.004 1 798 68 70 THR HG2 H 1.323 0.004 1 799 68 70 THR C C 173.362 0.007 1 800 68 70 THR CA C 59.515 0.095 1 801 68 70 THR CB C 71.416 0.077 1 802 68 70 THR CG2 C 22.258 0.054 1 803 68 70 THR N N 121.828 0.043 1 804 69 71 GLY H H 8.646 0.010 1 805 69 71 GLY HA2 H 5.342 0.008 2 806 69 71 GLY HA3 H 3.780 0.009 2 807 69 71 GLY C C 177.495 0.022 1 808 69 71 GLY CA C 45.031 0.075 1 809 69 71 GLY N N 110.130 0.048 1 810 70 72 LEU H H 9.074 0.003 1 811 70 72 LEU HA H 3.882 0.010 1 812 70 72 LEU HB2 H 1.975 0.014 2 813 70 72 LEU HB3 H 1.019 0.010 2 814 70 72 LEU HD1 H 0.894 0.009 2 815 70 72 LEU HD2 H 0.456 0.008 2 816 70 72 LEU HG H 1.660 0.007 1 817 70 72 LEU C C 180.009 0.044 1 818 70 72 LEU CA C 57.474 0.086 1 819 70 72 LEU CB C 41.328 0.099 1 820 70 72 LEU CD1 C 25.409 0.104 2 821 70 72 LEU CD2 C 22.434 0.109 2 822 70 72 LEU CG C 26.771 0.093 1 823 70 72 LEU N N 122.154 0.045 1 824 71 73 LYS H H 10.482 0.004 1 825 71 73 LYS HA H 4.172 0.008 1 826 71 73 LYS HB2 H 1.888 0.010 2 827 71 73 LYS HB3 H 1.594 0.010 2 828 71 73 LYS HD2 H 1.647 0.009 2 829 71 73 LYS HD3 H 1.647 0.009 2 830 71 73 LYS HE2 H 3.002 0.000 2 831 71 73 LYS HE3 H 2.957 0.011 2 832 71 73 LYS HG2 H 1.584 0.007 2 833 71 73 LYS HG3 H 1.165 0.007 2 834 71 73 LYS C C 174.801 0.019 1 835 71 73 LYS CA C 58.510 0.101 1 836 71 73 LYS CB C 31.461 0.093 1 837 71 73 LYS CD C 29.499 0.121 1 838 71 73 LYS CE C 41.749 0.108 1 839 71 73 LYS CG C 23.680 0.078 1 840 71 73 LYS N N 120.845 0.028 1 841 72 74 ASN H H 7.510 0.004 1 842 72 74 ASN HA H 5.106 0.005 1 843 72 74 ASN HB2 H 3.217 0.008 2 844 72 74 ASN HB3 H 2.670 0.006 2 845 72 74 ASN HD21 H 7.702 0.005 2 846 72 74 ASN HD22 H 6.903 0.007 2 847 72 74 ASN C C 174.889 0.001 1 848 72 74 ASN CA C 52.054 0.059 1 849 72 74 ASN CB C 39.261 0.063 1 850 72 74 ASN CG C 177.070 0.006 1 851 72 74 ASN N N 115.416 0.039 1 852 72 74 ASN ND2 N 112.679 0.054 1 853 73 75 GLN H H 6.918 0.005 1 854 73 75 GLN HA H 4.710 0.008 1 855 73 75 GLN HB2 H 2.011 0.008 2 856 73 75 GLN HB3 H 1.863 0.010 2 857 73 75 GLN HE22 H 7.883 0.005 2 858 73 75 GLN HG2 H 2.226 0.006 2 859 73 75 GLN HG3 H 2.226 0.006 2 860 73 75 GLN C C 173.411 0.019 1 861 73 75 GLN CA C 56.396 0.085 1 862 73 75 GLN CB C 32.210 0.091 1 863 73 75 GLN CD C 178.525 . 1 864 73 75 GLN CG C 34.963 0.106 1 865 73 75 GLN N N 118.053 0.038 1 866 73 75 GLN NE2 N 104.811 0.064 1 867 74 76 GLN H H 8.650 0.005 1 868 74 76 GLN HA H 4.824 0.007 1 869 74 76 GLN HB2 H 2.135 0.011 2 870 74 76 GLN HB3 H 1.858 0.005 2 871 74 76 GLN HE21 H 7.505 0.001 2 872 74 76 GLN HE22 H 6.859 0.005 2 873 74 76 GLN HG2 H 2.445 0.006 2 874 74 76 GLN HG3 H 2.445 0.006 2 875 74 76 GLN C C 176.168 0.017 1 876 74 76 GLN CA C 52.930 0.090 1 877 74 76 GLN CB C 32.150 0.066 1 878 74 76 GLN CD C 180.512 . 1 879 74 76 GLN CG C 33.782 0.089 1 880 74 76 GLN N N 117.970 0.027 1 881 74 76 GLN NE2 N 113.088 0.028 1 882 75 77 ILE H H 9.347 0.003 1 883 75 77 ILE HA H 4.076 0.007 1 884 75 77 ILE HB H 1.944 0.006 1 885 75 77 ILE HD1 H 0.814 0.006 1 886 75 77 ILE HG12 H 1.629 0.007 2 887 75 77 ILE HG13 H 1.226 0.009 2 888 75 77 ILE HG2 H 0.877 0.008 1 889 75 77 ILE C C 175.651 0.011 1 890 75 77 ILE CA C 62.259 0.083 1 891 75 77 ILE CB C 37.310 0.072 1 892 75 77 ILE CD1 C 11.601 0.072 1 893 75 77 ILE CG1 C 27.642 0.113 1 894 75 77 ILE CG2 C 17.579 0.065 1 895 75 77 ILE N N 123.242 0.041 1 896 76 78 SER H H 9.219 0.006 1 897 76 78 SER HA H 4.622 0.004 1 898 76 78 SER HB2 H 3.628 0.006 2 899 76 78 SER HB3 H 3.539 0.006 2 900 76 78 SER C C 174.387 0.018 1 901 76 78 SER CA C 58.879 0.112 1 902 76 78 SER CB C 64.213 0.090 1 903 76 78 SER N N 125.054 0.050 1 904 77 79 ASP H H 8.054 0.004 1 905 77 79 ASP HA H 4.779 0.005 1 906 77 79 ASP HB2 H 2.692 0.008 2 907 77 79 ASP HB3 H 2.228 0.008 2 908 77 79 ASP C C 173.380 0.019 1 909 77 79 ASP CA C 54.193 0.099 1 910 77 79 ASP CB C 44.044 0.070 1 911 77 79 ASP CG C 178.599 0.003 1 912 77 79 ASP N N 118.405 0.028 1 913 78 80 PHE H H 8.378 0.004 1 914 78 80 PHE HA H 5.359 0.006 1 915 78 80 PHE HB2 H 3.021 0.013 2 916 78 80 PHE HB3 H 2.735 0.009 2 917 78 80 PHE HD1 H 7.175 0.010 3 918 78 80 PHE HD2 H 7.175 0.010 3 919 78 80 PHE C C 173.208 0.004 1 920 78 80 PHE CA C 57.132 0.084 1 921 78 80 PHE CB C 42.003 0.114 1 922 78 80 PHE CD1 C 131.631 0.121 3 923 78 80 PHE CD2 C 131.631 0.121 3 924 78 80 PHE N N 123.872 0.052 1 925 79 81 GLN H H 8.627 0.004 1 926 79 81 GLN HA H 4.290 0.007 1 927 79 81 GLN HB2 H 1.877 0.007 2 928 79 81 GLN HB3 H 1.617 0.009 2 929 79 81 GLN HE21 H 8.061 0.002 2 930 79 81 GLN HE22 H 6.587 0.002 2 931 79 81 GLN HG2 H 2.162 0.006 2 932 79 81 GLN HG3 H 2.162 0.006 2 933 79 81 GLN C C 173.079 0.001 1 934 79 81 GLN CA C 53.618 0.112 1 935 79 81 GLN CB C 31.203 0.088 1 936 79 81 GLN CD C 179.859 . 1 937 79 81 GLN CG C 32.491 0.079 1 938 79 81 GLN N N 126.215 0.026 1 939 79 81 GLN NE2 N 113.425 0.051 1 940 80 82 MET H H 8.462 0.005 1 941 80 82 MET HA H 4.809 0.007 1 942 80 82 MET HB2 H 2.154 0.010 2 943 80 82 MET HB3 H 1.256 0.010 2 944 80 82 MET HE H 1.402 0.008 1 945 80 82 MET HG2 H 1.936 0.011 2 946 80 82 MET HG3 H 1.758 0.007 2 947 80 82 MET C C 172.958 0.003 1 948 80 82 MET CA C 54.102 0.097 1 949 80 82 MET CB C 35.164 0.101 1 950 80 82 MET CE C 17.575 0.086 1 951 80 82 MET CG C 31.864 0.119 1 952 80 82 MET N N 126.799 0.034 1 953 81 83 ASP H H 8.567 0.007 1 954 81 83 ASP HA H 4.864 0.007 1 955 81 83 ASP HB2 H 3.111 0.007 2 956 81 83 ASP HB3 H 2.325 0.008 2 957 81 83 ASP C C 177.706 0.006 1 958 81 83 ASP CA C 51.940 0.087 1 959 81 83 ASP CB C 41.569 0.075 1 960 81 83 ASP CG C 180.499 0.003 1 961 81 83 ASP N N 127.835 0.040 1 962 82 84 THR H H 8.534 0.005 1 963 82 84 THR HA H 4.642 0.010 1 964 82 84 THR HB H 4.505 0.006 1 965 82 84 THR HG2 H 1.220 0.007 1 966 82 84 THR C C 175.536 0.018 1 967 82 84 THR CA C 62.393 0.074 1 968 82 84 THR CB C 68.346 0.071 1 969 82 84 THR CG2 C 21.871 0.096 1 970 82 84 THR N N 114.935 0.028 1 971 83 85 LYS H H 8.399 0.003 1 972 83 85 LYS HA H 4.336 0.006 1 973 83 85 LYS HB2 H 1.929 0.006 2 974 83 85 LYS HB3 H 1.929 0.006 2 975 83 85 LYS HD2 H 1.689 0.009 2 976 83 85 LYS HD3 H 1.689 0.009 2 977 83 85 LYS HE2 H 2.975 0.006 2 978 83 85 LYS HE3 H 2.975 0.006 2 979 83 85 LYS HG2 H 1.472 0.009 2 980 83 85 LYS HG3 H 1.375 0.008 2 981 83 85 LYS C C 177.349 0.009 1 982 83 85 LYS CA C 57.856 0.067 1 983 83 85 LYS CB C 32.046 0.087 1 984 83 85 LYS CD C 28.628 0.097 1 985 83 85 LYS CE C 41.699 0.112 1 986 83 85 LYS CG C 24.713 0.088 1 987 83 85 LYS N N 123.714 0.030 1 988 84 86 ALA H H 7.891 0.005 1 989 84 86 ALA HA H 4.041 0.005 1 990 84 86 ALA HB H 1.215 0.010 1 991 84 86 ALA C C 176.646 0.002 1 992 84 86 ALA CA C 52.172 0.083 1 993 84 86 ALA CB C 19.168 0.065 1 994 84 86 ALA N N 121.799 0.052 1 995 85 87 LYS H H 7.720 0.006 1 996 85 87 LYS HA H 3.479 0.006 1 997 85 87 LYS HB2 H 1.619 0.013 2 998 85 87 LYS HB3 H 1.524 0.009 2 999 85 87 LYS HD2 H 1.874 0.012 2 1000 85 87 LYS HD3 H 0.561 0.013 2 1001 85 87 LYS HE2 H 3.098 0.008 2 1002 85 87 LYS HE3 H 3.067 0.006 2 1003 85 87 LYS HG2 H 1.072 0.009 2 1004 85 87 LYS HG3 H 0.912 0.009 2 1005 85 87 LYS C C 174.891 0.004 1 1006 85 87 LYS CA C 57.165 0.090 1 1007 85 87 LYS CB C 29.154 0.098 1 1008 85 87 LYS CD C 27.138 0.096 1 1009 85 87 LYS CE C 41.960 0.084 1 1010 85 87 LYS CG C 24.729 0.101 1 1011 85 87 LYS N N 114.298 0.037 1 1012 86 88 THR H H 7.776 0.003 1 1013 86 88 THR HA H 4.915 0.009 1 1014 86 88 THR HB H 4.002 0.007 1 1015 86 88 THR HG2 H 0.916 0.006 1 1016 86 88 THR C C 172.722 0.003 1 1017 86 88 THR CA C 59.449 0.048 1 1018 86 88 THR CB C 72.131 0.065 1 1019 86 88 THR CG2 C 21.016 0.116 1 1020 86 88 THR N N 108.214 0.049 1 1021 87 89 VAL H H 8.758 0.005 1 1022 87 89 VAL HA H 4.232 0.008 1 1023 87 89 VAL HB H 0.797 0.012 1 1024 87 89 VAL HG1 H 0.648 0.011 2 1025 87 89 VAL HG2 H 0.478 0.012 2 1026 87 89 VAL C C 173.884 0.041 1 1027 87 89 VAL CA C 61.230 0.064 1 1028 87 89 VAL CB C 35.218 0.086 1 1029 87 89 VAL CG1 C 22.277 0.075 2 1030 87 89 VAL CG2 C 21.936 0.115 2 1031 87 89 VAL N N 122.288 0.040 1 1032 88 90 LEU H H 8.147 0.006 1 1033 88 90 LEU HA H 4.878 0.008 1 1034 88 90 LEU HB2 H 1.466 0.006 2 1035 88 90 LEU HB3 H 1.326 0.008 2 1036 88 90 LEU HD1 H 0.677 0.005 2 1037 88 90 LEU HD2 H 0.685 0.005 2 1038 88 90 LEU HG H 1.260 0.008 1 1039 88 90 LEU C C 173.320 0.047 1 1040 88 90 LEU CA C 53.702 0.096 1 1041 88 90 LEU CB C 44.355 0.079 1 1042 88 90 LEU CD1 C 25.027 0.113 2 1043 88 90 LEU CD2 C 23.725 0.095 2 1044 88 90 LEU CG C 27.748 0.097 1 1045 88 90 LEU N N 128.626 0.038 1 1046 89 91 LEU H H 8.989 0.005 1 1047 89 91 LEU HA H 5.102 0.015 1 1048 89 91 LEU HB2 H 1.939 0.006 2 1049 89 91 LEU HB3 H 1.404 0.016 2 1050 89 91 LEU HD1 H 1.089 0.007 2 1051 89 91 LEU HD2 H 0.855 0.011 2 1052 89 91 LEU C C 173.314 0.046 1 1053 89 91 LEU CA C 53.763 0.109 1 1054 89 91 LEU CB C 45.229 0.076 1 1055 89 91 LEU CD1 C 23.835 0.101 2 1056 89 91 LEU CD2 C 25.383 0.046 2 1057 89 91 LEU N N 127.999 0.035 1 1058 90 92 LYS H H 8.976 0.007 1 1059 90 92 LYS HA H 5.883 0.008 1 1060 90 92 LYS HB2 H 1.640 0.011 2 1061 90 92 LYS HB3 H 1.640 0.011 2 1062 90 92 LYS HD2 H 1.576 0.010 2 1063 90 92 LYS HD3 H 1.576 0.010 2 1064 90 92 LYS HE2 H 2.739 0.007 2 1065 90 92 LYS HE3 H 2.681 0.006 2 1066 90 92 LYS HG2 H 1.262 0.007 2 1067 90 92 LYS HG3 H 1.210 0.012 2 1068 90 92 LYS C C 176.683 0.025 1 1069 90 92 LYS CA C 54.295 0.085 1 1070 90 92 LYS CB C 35.290 0.072 1 1071 90 92 LYS CD C 29.399 0.100 1 1072 90 92 LYS CE C 41.464 0.095 1 1073 90 92 LYS CG C 25.018 0.088 1 1074 90 92 LYS N N 126.105 0.056 1 1075 91 93 THR H H 9.049 0.005 1 1076 91 93 THR HA H 5.519 0.010 1 1077 91 93 THR HB H 4.295 0.007 1 1078 91 93 THR HG2 H 1.218 0.009 1 1079 91 93 THR C C 170.519 0.031 1 1080 91 93 THR CA C 58.196 0.095 1 1081 91 93 THR CB C 72.134 0.081 1 1082 91 93 THR CG2 C 21.401 0.125 1 1083 91 93 THR N N 115.323 0.032 1 1084 92 94 LYS H H 8.866 0.006 1 1085 92 94 LYS HA H 5.677 0.009 1 1086 92 94 LYS HB2 H 1.750 0.007 2 1087 92 94 LYS HB3 H 1.685 0.008 2 1088 92 94 LYS HE2 H 2.891 0.009 2 1089 92 94 LYS HE3 H 2.891 0.009 2 1090 92 94 LYS HG2 H 1.447 0.009 2 1091 92 94 LYS HG3 H 1.343 0.010 2 1092 92 94 LYS C C 175.680 0.034 1 1093 92 94 LYS CA C 53.536 0.114 1 1094 92 94 LYS CB C 36.207 0.096 1 1095 92 94 LYS CD C 29.615 0.005 1 1096 92 94 LYS CE C 41.613 0.125 1 1097 92 94 LYS CG C 24.459 0.103 1 1098 92 94 LYS N N 118.876 0.056 1 1099 93 95 ALA H H 8.985 0.004 1 1100 93 95 ALA HA H 4.752 0.006 1 1101 93 95 ALA HB H 1.130 0.006 1 1102 93 95 ALA C C 174.307 0.000 1 1103 93 95 ALA CA C 50.872 0.095 1 1104 93 95 ALA CB C 22.257 0.093 1 1105 93 95 ALA N N 126.175 0.046 1 1106 94 96 ASP H H 8.870 0.004 1 1107 94 96 ASP HA H 5.177 0.008 1 1108 94 96 ASP HB2 H 2.650 0.009 2 1109 94 96 ASP HB3 H 2.575 0.012 2 1110 94 96 ASP C C 175.067 0.037 1 1111 94 96 ASP CA C 53.666 0.078 1 1112 94 96 ASP CB C 40.882 0.124 1 1113 94 96 ASP CG C 180.367 0.029 1 1114 94 96 ASP N N 123.650 0.043 1 1115 95 97 LEU H H 8.967 0.003 1 1116 95 97 LEU HA H 5.271 0.006 1 1117 95 97 LEU HB2 H 1.724 0.013 2 1118 95 97 LEU HB3 H 1.146 0.013 2 1119 95 97 LEU HD1 H 0.757 0.007 2 1120 95 97 LEU HD2 H 0.572 0.006 2 1121 95 97 LEU HG H 1.676 0.011 1 1122 95 97 LEU C C 175.831 0.036 1 1123 95 97 LEU CA C 53.324 0.081 1 1124 95 97 LEU CB C 44.609 0.084 1 1125 95 97 LEU CD1 C 25.063 0.101 2 1126 95 97 LEU CD2 C 22.382 0.099 2 1127 95 97 LEU CG C 26.352 0.108 1 1128 95 97 LEU N N 122.619 0.040 1 1129 96 98 HIS H H 8.741 0.007 1 1130 96 98 HIS HA H 5.535 0.009 1 1131 96 98 HIS HB2 H 3.507 0.010 2 1132 96 98 HIS HB3 H 2.957 0.009 2 1133 96 98 HIS HD2 H 7.298 0.007 1 1134 96 98 HIS HE1 H 8.427 0.012 1 1135 96 98 HIS C C 173.443 0.048 1 1136 96 98 HIS CA C 54.899 0.071 1 1137 96 98 HIS CB C 29.550 0.103 1 1138 96 98 HIS CD2 C 119.752 0.070 1 1139 96 98 HIS CE1 C 135.818 0.084 1 1140 96 98 HIS N N 121.731 0.036 1 1141 97 99 ILE H H 9.138 0.005 1 1142 97 99 ILE HA H 4.622 0.016 1 1143 97 99 ILE HB H 1.750 0.008 1 1144 97 99 ILE HD1 H 0.757 0.009 1 1145 97 99 ILE HG2 H 0.788 0.012 1 1146 97 99 ILE C C 173.724 . 1 1147 97 99 ILE CA C 60.307 0.086 1 1148 97 99 ILE CB C 41.536 0.104 1 1149 97 99 ILE CD1 C 13.934 0.094 1 1150 97 99 ILE CG1 C 27.845 0.084 1 1151 97 99 ILE CG2 C 18.655 0.080 1 1152 97 99 ILE N N 128.649 0.039 1 1153 98 100 VAL H H 8.467 0.005 1 1154 98 100 VAL HA H 5.488 0.008 1 1155 98 100 VAL HB H 2.056 0.009 1 1156 98 100 VAL HG1 H 1.064 0.009 2 1157 98 100 VAL HG2 H 0.990 0.007 2 1158 98 100 VAL C C 175.498 0.029 1 1159 98 100 VAL CA C 59.847 0.183 1 1160 98 100 VAL CB C 35.585 0.102 1 1161 98 100 VAL CG1 C 20.507 0.120 2 1162 98 100 VAL CG2 C 21.273 0.060 2 1163 98 100 VAL N N 124.379 0.039 1 1164 99 101 GLY H H 9.172 0.004 1 1165 99 101 GLY HA2 H 4.635 0.009 2 1166 99 101 GLY HA3 H 3.973 0.009 2 1167 99 101 GLY C C 170.832 0.028 1 1168 99 101 GLY CA C 46.198 0.080 1 1169 99 101 GLY N N 111.858 0.036 1 1170 100 102 ASP H H 8.139 0.004 1 1171 100 102 ASP HA H 5.124 0.007 1 1172 100 102 ASP HB2 H 2.766 0.009 2 1173 100 102 ASP HB3 H 2.766 0.009 2 1174 100 102 ASP C C 175.005 0.032 1 1175 100 102 ASP CA C 55.073 0.099 1 1176 100 102 ASP CB C 42.027 0.075 1 1177 100 102 ASP CG C 175.970 . 1 1178 100 102 ASP N N 120.744 0.038 1 1179 101 103 ILE H H 8.718 0.004 1 1180 101 103 ILE HA H 5.263 0.009 1 1181 101 103 ILE HB H 1.427 0.004 1 1182 101 103 ILE HD1 H 0.440 0.005 1 1183 101 103 ILE HG12 H 0.606 0.014 2 1184 101 103 ILE HG13 H 0.813 0.013 2 1185 101 103 ILE HG2 H 0.618 0.009 1 1186 101 103 ILE C C 172.909 0.056 1 1187 101 103 ILE CA C 58.576 0.091 1 1188 101 103 ILE CB C 42.597 0.105 1 1189 101 103 ILE CD1 C 15.615 0.092 1 1190 101 103 ILE CG1 C 28.091 0.100 1 1191 101 103 ILE CG2 C 16.270 0.077 1 1192 101 103 ILE N N 118.987 0.034 1 1193 102 104 VAL H H 8.646 0.004 1 1194 102 104 VAL HA H 4.776 0.008 1 1195 102 104 VAL HB H 1.884 0.007 1 1196 102 104 VAL HG1 H 0.916 0.007 2 1197 102 104 VAL HG2 H 0.838 0.002 2 1198 102 104 VAL C C 174.829 0.045 1 1199 102 104 VAL CA C 60.877 0.109 1 1200 102 104 VAL CB C 34.862 0.101 1 1201 102 104 VAL CG1 C 20.708 0.099 2 1202 102 104 VAL CG2 C 20.708 0.099 2 1203 102 104 VAL N N 127.435 0.029 1 1204 103 105 ILE H H 9.309 0.006 1 1205 103 105 ILE HA H 4.514 0.006 1 1206 103 105 ILE HB H 1.850 0.009 1 1207 103 105 ILE HD1 H 0.795 0.010 1 1208 103 105 ILE HG12 H 1.547 0.012 2 1209 103 105 ILE HG13 H 1.547 0.012 2 1210 103 105 ILE HG2 H 0.752 0.008 1 1211 103 105 ILE C C 174.045 0.006 1 1212 103 105 ILE CA C 60.224 0.088 1 1213 103 105 ILE CB C 39.960 0.111 1 1214 103 105 ILE CD1 C 14.910 0.103 1 1215 103 105 ILE CG2 C 16.694 0.088 1 1216 103 105 ILE N N 126.462 0.035 1 1217 104 106 GLU H H 9.409 0.004 1 1218 104 106 GLU HA H 4.827 0.007 1 1219 104 106 GLU HB2 H 2.217 0.007 2 1220 104 106 GLU HB3 H 1.927 0.009 2 1221 104 106 GLU HG2 H 2.072 0.008 2 1222 104 106 GLU HG3 H 1.926 0.007 2 1223 104 106 GLU C C 174.579 0.035 1 1224 104 106 GLU CA C 54.844 0.066 1 1225 104 106 GLU CB C 31.528 0.141 1 1226 104 106 GLU CD C 182.912 0.001 1 1227 104 106 GLU CG C 35.942 0.102 1 1228 104 106 GLU N N 127.595 0.049 1 1229 105 107 LEU H H 8.452 0.003 1 1230 105 107 LEU HA H 5.083 0.007 1 1231 105 107 LEU HB2 H 1.784 0.001 2 1232 105 107 LEU HB3 H 1.719 0.011 2 1233 105 107 LEU HD1 H 0.945 0.005 2 1234 105 107 LEU HD2 H 0.877 0.007 2 1235 105 107 LEU HG H 1.669 0.012 1 1236 105 107 LEU C C 178.088 0.009 1 1237 105 107 LEU CA C 53.057 0.078 1 1238 105 107 LEU CB C 39.828 0.089 1 1239 105 107 LEU CD1 C 25.684 0.073 2 1240 105 107 LEU CD2 C 24.484 0.096 2 1241 105 107 LEU CG C 27.622 0.073 1 1242 105 107 LEU N N 125.732 0.038 1 1243 106 108 THR H H 8.101 0.004 1 1244 106 108 THR HA H 3.953 0.007 1 1245 106 108 THR HB H 4.124 0.009 1 1246 106 108 THR HG2 H 1.219 0.007 1 1247 106 108 THR C C 177.472 0.016 1 1248 106 108 THR CA C 65.855 0.077 1 1249 106 108 THR CB C 68.419 0.090 1 1250 106 108 THR CG2 C 21.749 0.073 1 1251 106 108 THR N N 116.992 0.060 1 1252 107 109 GLU H H 9.021 0.002 1 1253 107 109 GLU HA H 4.190 0.006 1 1254 107 109 GLU HB2 H 2.140 0.010 2 1255 107 109 GLU HB3 H 2.036 0.007 2 1256 107 109 GLU HG2 H 2.369 0.007 2 1257 107 109 GLU HG3 H 2.264 0.005 2 1258 107 109 GLU C C 177.245 0.002 1 1259 107 109 GLU CA C 58.241 0.085 1 1260 107 109 GLU CB C 29.060 0.074 1 1261 107 109 GLU CD C 183.138 0.003 1 1262 107 109 GLU CG C 36.195 0.085 1 1263 107 109 GLU N N 121.341 0.028 1 1264 108 110 GLN H H 7.410 0.003 1 1265 108 110 GLN HA H 4.444 0.006 1 1266 108 110 GLN HB2 H 2.354 0.006 2 1267 108 110 GLN HB3 H 1.745 0.009 2 1268 108 110 GLN HE21 H 7.580 0.002 2 1269 108 110 GLN HE22 H 6.983 0.002 2 1270 108 110 GLN HG2 H 2.351 0.008 2 1271 108 110 GLN HG3 H 2.351 0.008 2 1272 108 110 GLN C C 174.663 0.014 1 1273 108 110 GLN CA C 55.242 0.075 1 1274 108 110 GLN CB C 29.968 0.115 1 1275 108 110 GLN CD C 179.473 . 1 1276 108 110 GLN CG C 33.971 0.095 1 1277 108 110 GLN N N 114.613 0.042 1 1278 108 110 GLN NE2 N 112.603 0.046 1 1279 109 111 SER H H 7.800 0.004 1 1280 109 111 SER HA H 3.991 0.006 1 1281 109 111 SER HB2 H 4.046 0.004 2 1282 109 111 SER HB3 H 3.901 0.006 2 1283 109 111 SER C C 173.366 0.014 1 1284 109 111 SER CA C 58.271 0.099 1 1285 109 111 SER CB C 61.303 0.087 1 1286 109 111 SER N N 113.100 0.032 1 1287 110 112 LYS H H 7.214 0.003 1 1288 110 112 LYS HA H 4.561 0.005 1 1289 110 112 LYS HB2 H 1.493 0.006 2 1290 110 112 LYS HB3 H 1.437 0.004 2 1291 110 112 LYS HD2 H 1.768 0.012 2 1292 110 112 LYS HD3 H 1.603 0.008 2 1293 110 112 LYS HE2 H 2.962 0.009 2 1294 110 112 LYS HE3 H 2.962 0.009 2 1295 110 112 LYS HG2 H 1.312 0.004 2 1296 110 112 LYS HG3 H 1.230 0.010 2 1297 110 112 LYS C C 174.688 0.013 1 1298 110 112 LYS CA C 54.407 0.058 1 1299 110 112 LYS CB C 36.924 0.063 1 1300 110 112 LYS CD C 29.592 0.103 1 1301 110 112 LYS CE C 41.807 0.095 1 1302 110 112 LYS CG C 24.652 0.094 1 1303 110 112 LYS N N 116.963 0.033 1 1304 111 113 SER H H 7.881 0.004 1 1305 111 113 SER HA H 5.331 0.006 1 1306 111 113 SER HB2 H 3.532 0.005 2 1307 111 113 SER HB3 H 3.478 0.005 2 1308 111 113 SER C C 172.212 0.008 1 1309 111 113 SER CA C 56.500 0.056 1 1310 111 113 SER CB C 65.394 0.067 1 1311 111 113 SER N N 115.945 0.017 1 1312 112 114 PHE H H 8.879 0.005 1 1313 112 114 PHE HA H 4.988 0.006 1 1314 112 114 PHE HB2 H 3.112 0.007 2 1315 112 114 PHE HB3 H 2.525 0.009 2 1316 112 114 PHE HD1 H 7.106 0.007 3 1317 112 114 PHE HD2 H 7.106 0.007 3 1318 112 114 PHE HE1 H 7.150 0.005 3 1319 112 114 PHE HE2 H 7.150 0.005 3 1320 112 114 PHE HZ H 7.177 0.009 1 1321 112 114 PHE C C 174.480 0.016 1 1322 112 114 PHE CA C 55.818 0.094 1 1323 112 114 PHE CB C 42.821 0.128 1 1324 112 114 PHE CD1 C 131.891 0.087 3 1325 112 114 PHE CD2 C 131.891 0.087 3 1326 112 114 PHE CE1 C 130.610 0.129 3 1327 112 114 PHE CE2 C 130.610 0.129 3 1328 112 114 PHE CZ C 129.206 0.047 1 1329 112 114 PHE N N 121.645 0.035 1 1330 113 115 THR H H 8.581 0.005 1 1331 113 115 THR HA H 5.501 0.006 1 1332 113 115 THR HB H 4.197 0.006 1 1333 113 115 THR HG2 H 1.204 0.005 1 1334 113 115 THR C C 173.264 0.009 1 1335 113 115 THR CA C 59.745 0.063 1 1336 113 115 THR CB C 71.371 0.034 1 1337 113 115 THR CG2 C 20.919 0.074 1 1338 113 115 THR N N 114.713 0.031 1 1339 114 116 GLY H H 8.355 0.002 1 1340 114 116 GLY HA2 H 4.224 0.009 2 1341 114 116 GLY HA3 H 4.016 0.011 2 1342 114 116 GLY C C 170.545 0.014 1 1343 114 116 GLY CA C 46.615 0.084 1 1344 114 116 GLY N N 108.352 0.033 1 1345 115 117 LEU H H 8.778 0.006 1 1346 115 117 LEU HA H 5.142 0.010 1 1347 115 117 LEU HB2 H 1.797 0.006 2 1348 115 117 LEU HB3 H 1.560 0.006 2 1349 115 117 LEU HD1 H 0.895 0.006 2 1350 115 117 LEU HD2 H 0.954 0.007 2 1351 115 117 LEU HG H 1.664 0.010 1 1352 115 117 LEU C C 174.624 0.044 1 1353 115 117 LEU CA C 54.008 0.078 1 1354 115 117 LEU CB C 46.005 0.076 1 1355 115 117 LEU CD1 C 24.946 0.098 2 1356 115 117 LEU CD2 C 24.229 0.085 2 1357 115 117 LEU CG C 27.167 0.105 1 1358 115 117 LEU N N 127.462 0.033 1 1359 116 118 TYR H H 9.165 0.005 1 1360 116 118 TYR HA H 4.954 0.009 1 1361 116 118 TYR HB2 H 2.890 0.012 2 1362 116 118 TYR HB3 H 2.723 0.012 2 1363 116 118 TYR HD1 H 6.734 0.011 3 1364 116 118 TYR HD2 H 6.734 0.011 3 1365 116 118 TYR HE1 H 6.375 0.006 3 1366 116 118 TYR HE2 H 6.375 0.006 3 1367 116 118 TYR C C 172.692 0.006 1 1368 116 118 TYR CA C 56.521 0.070 1 1369 116 118 TYR CB C 42.627 0.110 1 1370 116 118 TYR CD1 C 132.850 0.137 3 1371 116 118 TYR CD2 C 132.850 0.137 3 1372 116 118 TYR CE1 C 118.079 0.080 3 1373 116 118 TYR CE2 C 118.079 0.080 3 1374 116 118 TYR N N 127.437 0.033 1 1375 117 119 THR H H 7.769 0.005 1 1376 117 119 THR HA H 5.291 0.014 1 1377 117 119 THR HB H 3.911 0.004 1 1378 117 119 THR HG2 H 1.076 0.011 1 1379 117 119 THR C C 172.082 0.018 1 1380 117 119 THR CA C 60.446 0.099 1 1381 117 119 THR CB C 70.939 0.074 1 1382 117 119 THR CG2 C 20.762 0.068 1 1383 117 119 THR N N 121.698 0.034 1 1384 118 120 ALA H H 9.156 0.005 1 1385 118 120 ALA HA H 5.217 0.006 1 1386 118 120 ALA HB H 0.974 0.008 1 1387 118 120 ALA C C 174.890 0.007 1 1388 118 120 ALA CA C 50.330 0.086 1 1389 118 120 ALA CB C 23.676 0.093 1 1390 118 120 ALA N N 125.084 0.084 1 1391 119 121 ASP H H 8.220 0.005 1 1392 119 121 ASP HA H 5.937 0.012 1 1393 119 121 ASP HB2 H 2.734 0.006 2 1394 119 121 ASP HB3 H 2.466 0.006 2 1395 119 121 ASP C C 175.528 0.038 1 1396 119 121 ASP CA C 53.535 0.098 1 1397 119 121 ASP CB C 44.632 0.055 1 1398 119 121 ASP CG C 180.899 0.018 1 1399 119 121 ASP N N 120.203 0.054 1 1400 120 122 THR H H 8.553 0.002 1 1401 120 122 THR HA H 4.737 0.006 1 1402 120 122 THR HB H 3.919 0.011 1 1403 120 122 THR HG2 H 1.001 0.005 1 1404 120 122 THR C C 170.224 0.011 1 1405 120 122 THR CA C 60.325 0.080 1 1406 120 122 THR CB C 69.500 0.088 1 1407 120 122 THR CG2 C 18.784 0.074 1 1408 120 122 THR N N 116.662 0.041 1 1409 121 123 ASN H H 8.304 0.003 1 1410 121 123 ASN HA H 5.622 0.008 1 1411 121 123 ASN HB2 H 2.665 0.009 2 1412 121 123 ASN HB3 H 2.604 0.006 2 1413 121 123 ASN HD21 H 7.670 0.002 2 1414 121 123 ASN HD22 H 6.285 0.003 2 1415 121 123 ASN C C 173.822 0.007 1 1416 121 123 ASN CA C 52.571 0.098 1 1417 121 123 ASN CB C 40.719 0.080 1 1418 121 123 ASN CG C 176.592 0.005 1 1419 121 123 ASN N N 124.762 0.053 1 1420 121 123 ASN ND2 N 111.643 0.042 1 1421 122 124 VAL H H 8.958 0.006 1 1422 122 124 VAL HA H 4.850 0.009 1 1423 122 124 VAL HB H 2.132 0.006 1 1424 122 124 VAL HG1 H 1.002 0.008 2 1425 122 124 VAL HG2 H 1.002 0.008 2 1426 122 124 VAL C C 174.966 0.021 1 1427 122 124 VAL CA C 59.546 0.060 1 1428 122 124 VAL CB C 35.210 0.096 1 1429 122 124 VAL CG1 C 21.155 0.095 2 1430 122 124 VAL CG2 C 21.155 0.095 2 1431 122 124 VAL N N 120.880 0.037 1 1432 123 125 ILE H H 8.501 0.005 1 1433 123 125 ILE HA H 5.122 0.008 1 1434 123 125 ILE HB H 1.588 0.009 1 1435 123 125 ILE HD1 H 0.844 0.009 1 1436 123 125 ILE HG12 H 1.703 0.013 2 1437 123 125 ILE HG13 H 1.703 0.013 2 1438 123 125 ILE HG2 H 0.707 0.010 1 1439 123 125 ILE C C 175.346 0.016 1 1440 123 125 ILE CA C 60.886 0.107 1 1441 123 125 ILE CB C 39.094 0.117 1 1442 123 125 ILE CD1 C 12.871 0.090 1 1443 123 125 ILE CG1 C 26.981 0.096 1 1444 123 125 ILE CG2 C 16.777 0.091 1 1445 123 125 ILE N N 122.420 0.054 1 1446 124 126 GLY H H 8.761 0.005 1 1447 124 126 GLY HA2 H 4.418 0.010 2 1448 124 126 GLY HA3 H 2.994 0.009 2 1449 124 126 GLY C C 170.033 0.039 1 1450 124 126 GLY CA C 43.492 0.083 1 1451 124 126 GLY N N 116.010 0.039 1 1452 125 127 ALA H H 7.790 0.006 1 1453 125 127 ALA HA H 5.461 0.009 1 1454 125 127 ALA HB H 1.130 0.006 1 1455 125 127 ALA C C 175.858 0.049 1 1456 125 127 ALA CA C 49.509 0.089 1 1457 125 127 ALA CB C 22.364 0.065 1 1458 125 127 ALA N N 122.718 0.037 1 1459 126 128 VAL H H 9.348 0.004 1 1460 126 128 VAL HA H 5.476 0.007 1 1461 126 128 VAL HB H 2.131 0.009 1 1462 126 128 VAL HG1 H 1.281 0.006 2 1463 126 128 VAL HG2 H 1.234 0.007 2 1464 126 128 VAL C C 173.469 0.024 1 1465 126 128 VAL CA C 58.564 0.103 1 1466 126 128 VAL CB C 35.734 0.090 1 1467 126 128 VAL CG1 C 23.470 0.092 2 1468 126 128 VAL CG2 C 19.546 0.110 2 1469 126 128 VAL N N 115.657 0.034 1 1470 127 129 ARG H H 8.210 0.004 1 1471 127 129 ARG HA H 5.492 0.009 1 1472 127 129 ARG HB2 H 1.713 0.005 2 1473 127 129 ARG HB3 H 1.513 0.008 2 1474 127 129 ARG HD2 H 3.035 . 2 1475 127 129 ARG HD3 H 3.007 . 2 1476 127 129 ARG HE H 7.222 0.001 1 1477 127 129 ARG HG2 H 1.540 0.008 2 1478 127 129 ARG HG3 H 1.479 0.010 2 1479 127 129 ARG C C 175.762 0.024 1 1480 127 129 ARG CA C 53.545 0.114 1 1481 127 129 ARG CB C 33.750 0.076 1 1482 127 129 ARG CD C 43.097 0.075 1 1483 127 129 ARG CG C 28.407 0.127 1 1484 127 129 ARG N N 121.767 0.034 1 1485 127 129 ARG NE N 85.480 0.037 1 1486 128 130 TYR H H 8.278 0.005 1 1487 128 130 TYR HA H 4.868 0.009 1 1488 128 130 TYR HB2 H 3.149 0.014 2 1489 128 130 TYR HB3 H 2.930 0.008 2 1490 128 130 TYR HD1 H 6.736 0.009 3 1491 128 130 TYR HD2 H 6.736 0.009 3 1492 128 130 TYR HE1 H 6.371 0.009 3 1493 128 130 TYR HE2 H 6.371 0.009 3 1494 128 130 TYR C C 173.786 0.006 1 1495 128 130 TYR CA C 55.796 0.079 1 1496 128 130 TYR CB C 39.707 0.100 1 1497 128 130 TYR CD1 C 134.163 0.094 3 1498 128 130 TYR CD2 C 134.163 0.094 3 1499 128 130 TYR CE1 C 116.151 0.135 3 1500 128 130 TYR CE2 C 116.151 0.135 3 1501 128 130 TYR N N 118.152 0.049 1 1502 129 131 GLY H H 8.661 0.003 1 1503 129 131 GLY HA2 H 5.164 0.005 2 1504 129 131 GLY HA3 H 3.750 0.007 2 1505 129 131 GLY C C 173.009 0.005 1 1506 129 131 GLY CA C 43.039 0.065 1 1507 129 131 GLY N N 107.138 0.029 1 1508 130 132 TYR H H 7.725 0.004 1 1509 130 132 TYR HA H 5.855 0.006 1 1510 130 132 TYR HB2 H 3.111 0.006 2 1511 130 132 TYR HB3 H 2.679 0.013 2 1512 130 132 TYR HD1 H 6.604 0.012 3 1513 130 132 TYR HD2 H 6.604 0.012 3 1514 130 132 TYR HE1 H 6.443 0.009 3 1515 130 132 TYR HE2 H 6.443 0.009 3 1516 130 132 TYR C C 172.693 0.011 1 1517 130 132 TYR CA C 55.878 0.086 1 1518 130 132 TYR CB C 41.898 0.107 1 1519 130 132 TYR CD1 C 133.131 0.097 3 1520 130 132 TYR CD2 C 133.131 0.097 3 1521 130 132 TYR CE1 C 117.287 0.167 3 1522 130 132 TYR CE2 C 117.287 0.167 3 1523 130 132 TYR N N 113.288 0.044 1 1524 131 133 ASN H H 8.550 0.007 1 1525 131 133 ASN HA H 5.050 0.006 1 1526 131 133 ASN HB2 H 2.789 0.003 2 1527 131 133 ASN HB3 H 2.751 0.007 2 1528 131 133 ASN HD21 H 7.724 0.005 2 1529 131 133 ASN HD22 H 7.033 0.003 2 1530 131 133 ASN C C 174.063 0.020 1 1531 131 133 ASN CA C 51.223 0.066 1 1532 131 133 ASN CB C 42.053 0.077 1 1533 131 133 ASN CG C 175.980 . 1 1534 131 133 ASN N N 114.512 0.037 1 1535 131 133 ASN ND2 N 113.769 0.051 1 1536 132 134 LEU H H 8.801 0.006 1 1537 132 134 LEU HA H 5.159 0.007 1 1538 132 134 LEU HB2 H 1.656 0.007 2 1539 132 134 LEU HB3 H 1.263 0.009 2 1540 132 134 LEU HD1 H 0.749 0.006 2 1541 132 134 LEU HD2 H 0.329 0.007 2 1542 132 134 LEU HG H 1.468 0.010 1 1543 132 134 LEU C C 175.499 0.001 1 1544 132 134 LEU CA C 54.010 0.083 1 1545 132 134 LEU CB C 43.313 0.088 1 1546 132 134 LEU CD1 C 24.941 0.059 2 1547 132 134 LEU CD2 C 23.863 0.073 2 1548 132 134 LEU CG C 27.206 0.085 1 1549 132 134 LEU N N 123.952 0.049 1 1550 133 135 LYS H H 8.815 0.004 1 1551 133 135 LYS HA H 4.660 0.004 1 1552 133 135 LYS HB2 H 1.744 0.007 2 1553 133 135 LYS HB3 H 1.642 0.011 2 1554 133 135 LYS HD2 H 1.642 0.008 2 1555 133 135 LYS HD3 H 1.642 0.008 2 1556 133 135 LYS HE2 H 2.936 0.008 2 1557 133 135 LYS HE3 H 2.936 0.008 2 1558 133 135 LYS HG2 H 1.338 0.008 2 1559 133 135 LYS HG3 H 1.338 0.008 2 1560 133 135 LYS C C 175.105 0.028 1 1561 133 135 LYS CA C 54.406 0.041 1 1562 133 135 LYS CB C 36.142 0.089 1 1563 133 135 LYS CD C 28.791 0.102 1 1564 133 135 LYS CG C 24.140 0.099 1 1565 133 135 LYS N N 123.558 0.045 1 1566 134 136 ASN H H 8.892 0.006 1 1567 134 136 ASN HA H 5.315 0.009 1 1568 134 136 ASN HB2 H 2.741 0.007 2 1569 134 136 ASN HB3 H 2.587 0.007 2 1570 134 136 ASN HD21 H 7.346 0.005 2 1571 134 136 ASN HD22 H 6.658 0.003 2 1572 134 136 ASN C C 176.103 0.001 1 1573 134 136 ASN CA C 52.155 0.110 1 1574 134 136 ASN CB C 39.330 0.054 1 1575 134 136 ASN CG C 175.414 0.010 1 1576 134 136 ASN N N 124.474 0.052 1 1577 134 136 ASN ND2 N 110.131 0.038 1 1578 135 137 ASP H H 8.570 0.005 1 1579 135 137 ASP HA H 4.795 0.007 1 1580 135 137 ASP HB2 H 3.433 0.006 2 1581 135 137 ASP HB3 H 2.781 0.013 2 1582 135 137 ASP C C 177.745 0.001 1 1583 135 137 ASP CA C 52.311 0.091 1 1584 135 137 ASP CB C 41.450 0.070 1 1585 135 137 ASP CG C 179.673 . 1 1586 135 137 ASP N N 121.696 0.022 1 1587 136 138 ASP H H 8.482 0.003 1 1588 136 138 ASP HA H 4.439 0.009 1 1589 136 138 ASP HB2 H 2.771 0.003 2 1590 136 138 ASP HB3 H 2.603 0.011 2 1591 136 138 ASP C C 176.517 0.004 1 1592 136 138 ASP CA C 56.434 0.070 1 1593 136 138 ASP CB C 40.148 0.075 1 1594 136 138 ASP CG C 179.813 0.000 1 1595 136 138 ASP N N 117.624 0.022 1 1596 137 139 ASN H H 8.439 0.005 1 1597 137 139 ASN HA H 4.921 0.005 1 1598 137 139 ASN HB2 H 3.016 0.009 2 1599 137 139 ASN HB3 H 2.839 0.008 2 1600 137 139 ASN HD21 H 7.671 0.003 2 1601 137 139 ASN HD22 H 6.890 0.004 2 1602 137 139 ASN C C 175.322 0.009 1 1603 137 139 ASN CA C 52.559 0.116 1 1604 137 139 ASN CB C 39.316 0.056 1 1605 137 139 ASN CG C 177.327 0.000 1 1606 137 139 ASN N N 116.696 0.057 1 1607 137 139 ASN ND2 N 113.497 0.044 1 1608 138 140 GLY H H 8.159 0.003 1 1609 138 140 GLY HA2 H 4.170 0.009 2 1610 138 140 GLY HA3 H 3.647 0.008 2 1611 138 140 GLY C C 173.364 0.024 1 1612 138 140 GLY CA C 45.519 0.060 1 1613 138 140 GLY N N 108.338 0.022 1 1614 139 141 VAL H H 8.110 0.004 1 1615 139 141 VAL HA H 3.915 0.007 1 1616 139 141 VAL HB H 2.434 0.009 1 1617 139 141 VAL HG1 H 0.704 0.007 2 1618 139 141 VAL HG2 H 0.884 0.008 2 1619 139 141 VAL C C 175.780 0.003 1 1620 139 141 VAL CA C 62.081 0.056 1 1621 139 141 VAL CB C 31.625 0.066 1 1622 139 141 VAL CG1 C 20.766 0.093 2 1623 139 141 VAL CG2 C 21.434 0.066 2 1624 139 141 VAL N N 123.256 0.033 1 1625 140 142 GLN H H 8.594 0.003 1 1626 140 142 GLN HA H 4.656 0.007 1 1627 140 142 GLN HB2 H 1.945 0.010 2 1628 140 142 GLN HB3 H 1.793 0.004 2 1629 140 142 GLN HE21 H 7.527 0.002 2 1630 140 142 GLN HE22 H 6.730 0.002 2 1631 140 142 GLN HG2 H 2.207 0.007 2 1632 140 142 GLN HG3 H 1.880 0.009 2 1633 140 142 GLN C C 175.942 0.019 1 1634 140 142 GLN CA C 56.288 0.064 1 1635 140 142 GLN CB C 30.671 0.084 1 1636 140 142 GLN CD C 179.111 0.006 1 1637 140 142 GLN CG C 34.999 0.106 1 1638 140 142 GLN N N 127.506 0.054 1 1639 140 142 GLN NE2 N 111.809 0.058 1 1640 141 143 HIS H H 9.094 0.005 1 1641 141 143 HIS HA H 4.932 0.007 1 1642 141 143 HIS HB2 H 3.604 0.011 2 1643 141 143 HIS HB3 H 2.957 0.007 2 1644 141 143 HIS HD2 H 7.370 0.006 1 1645 141 143 HIS HE1 H 8.130 0.008 1 1646 141 143 HIS C C 174.692 0.005 1 1647 141 143 HIS CA C 54.627 0.072 1 1648 141 143 HIS CB C 31.591 0.066 1 1649 141 143 HIS CD2 C 121.508 0.107 1 1650 141 143 HIS CE1 C 134.788 0.091 1 1651 141 143 HIS N N 121.875 0.055 1 1652 142 144 PHE H H 9.438 0.005 1 1653 142 144 PHE HA H 4.953 0.011 1 1654 142 144 PHE HB2 H 2.679 0.010 2 1655 142 144 PHE HB3 H 2.535 0.013 2 1656 142 144 PHE HD1 H 6.860 0.011 3 1657 142 144 PHE HD2 H 6.860 0.011 3 1658 142 144 PHE HE1 H 6.986 0.013 3 1659 142 144 PHE HE2 H 6.986 0.013 3 1660 142 144 PHE HZ H 7.152 0.010 1 1661 142 144 PHE C C 175.582 0.006 1 1662 142 144 PHE CA C 59.006 0.122 1 1663 142 144 PHE CB C 40.596 0.077 1 1664 142 144 PHE CD1 C 131.919 0.139 3 1665 142 144 PHE CD2 C 131.919 0.139 3 1666 142 144 PHE CE1 C 130.844 0.128 3 1667 142 144 PHE CE2 C 130.844 0.128 3 1668 142 144 PHE CZ C 129.213 0.152 1 1669 142 144 PHE N N 119.367 0.053 1 1670 143 145 GLU H H 9.294 0.005 1 1671 143 145 GLU HA H 4.575 0.008 1 1672 143 145 GLU HB2 H 2.036 0.014 2 1673 143 145 GLU HB3 H 1.851 0.006 2 1674 143 145 GLU HG2 H 2.146 0.007 2 1675 143 145 GLU HG3 H 1.968 0.008 2 1676 143 145 GLU C C 175.667 0.003 1 1677 143 145 GLU CA C 55.039 0.089 1 1678 143 145 GLU CB C 31.295 0.109 1 1679 143 145 GLU CD C 183.039 0.001 1 1680 143 145 GLU CG C 36.286 0.084 1 1681 143 145 GLU N N 123.362 0.026 1 1682 144 146 VAL H H 8.259 0.004 1 1683 144 146 VAL HA H 3.988 0.012 1 1684 144 146 VAL HB H 1.626 0.009 1 1685 144 146 VAL HG1 H 0.659 0.006 2 1686 144 146 VAL HG2 H 0.341 0.007 2 1687 144 146 VAL C C 176.505 0.013 1 1688 144 146 VAL CA C 63.812 0.103 1 1689 144 146 VAL CB C 31.723 0.085 1 1690 144 146 VAL CG1 C 21.363 0.094 2 1691 144 146 VAL CG2 C 19.385 0.115 2 1692 144 146 VAL N N 127.468 0.025 1 1693 145 147 GLN H H 8.539 0.005 1 1694 145 147 GLN HA H 4.394 0.011 1 1695 145 147 GLN HB2 H 2.351 0.010 2 1696 145 147 GLN HB3 H 2.054 0.009 2 1697 145 147 GLN HE21 H 6.929 0.003 2 1698 145 147 GLN HE22 H 6.834 0.003 2 1699 145 147 GLN HG2 H 2.347 . 2 1700 145 147 GLN HG3 H 2.323 0.002 2 1701 145 147 GLN C C 172.634 . 1 1702 145 147 GLN CA C 56.002 0.078 1 1703 145 147 GLN CB C 26.541 0.026 1 1704 145 147 GLN CD C 179.175 0.011 1 1705 145 147 GLN CG C 33.755 0.087 1 1706 145 147 GLN N N 132.282 0.061 1 1707 145 147 GLN NE2 N 111.134 0.047 1 1708 146 148 PRO HA H 4.184 0.005 1 1709 146 148 PRO HB2 H 2.439 0.010 2 1710 146 148 PRO HB3 H 1.874 0.009 2 1711 146 148 PRO HD2 H 3.770 0.005 2 1712 146 148 PRO HD3 H 3.606 0.008 2 1713 146 148 PRO HG2 H 2.163 0.001 2 1714 146 148 PRO HG3 H 1.921 0.012 2 1715 146 148 PRO C C 176.030 0.008 1 1716 146 148 PRO CA C 65.273 0.081 1 1717 146 148 PRO CB C 32.038 0.106 1 1718 146 148 PRO CD C 51.132 0.090 1 1719 146 148 PRO CG C 28.213 0.086 1 1720 147 149 GLU H H 10.212 0.006 1 1721 147 149 GLU HA H 5.454 0.006 1 1722 147 149 GLU HB2 H 2.132 0.009 2 1723 147 149 GLU HB3 H 2.132 0.009 2 1724 147 149 GLU HG2 H 2.500 0.018 2 1725 147 149 GLU HG3 H 2.320 0.011 2 1726 147 149 GLU C C 175.514 0.001 1 1727 147 149 GLU CA C 55.026 0.105 1 1728 147 149 GLU CB C 31.785 0.127 1 1729 147 149 GLU CD C 182.724 0.005 1 1730 147 149 GLU CG C 34.860 0.078 1 1731 147 149 GLU N N 127.838 0.032 1 1732 148 150 THR H H 8.959 0.006 1 1733 148 150 THR HA H 4.773 0.004 1 1734 148 150 THR HB H 4.062 0.005 1 1735 148 150 THR HG2 H 1.240 0.006 1 1736 148 150 THR C C 173.472 0.020 1 1737 148 150 THR CA C 61.270 0.064 1 1738 148 150 THR CB C 71.106 0.078 1 1739 148 150 THR CG2 C 21.336 0.063 1 1740 148 150 THR N N 113.930 0.036 1 1741 149 151 PHE H H 9.125 0.004 1 1742 149 151 PHE HA H 5.512 0.009 1 1743 149 151 PHE HB2 H 3.289 0.014 2 1744 149 151 PHE HB3 H 2.916 0.018 2 1745 149 151 PHE HD1 H 6.923 0.010 3 1746 149 151 PHE HD2 H 6.923 0.010 3 1747 149 151 PHE HE1 H 6.847 0.005 3 1748 149 151 PHE HE2 H 6.847 0.005 3 1749 149 151 PHE C C 174.209 0.005 1 1750 149 151 PHE CA C 56.486 0.066 1 1751 149 151 PHE CB C 42.242 0.171 1 1752 149 151 PHE CD1 C 131.329 0.098 3 1753 149 151 PHE CD2 C 131.329 0.098 3 1754 149 151 PHE CE1 C 127.702 0.146 3 1755 149 151 PHE CE2 C 127.702 0.146 3 1756 149 151 PHE N N 127.784 0.036 1 1757 150 152 THR H H 8.522 0.005 1 1758 150 152 THR HA H 3.967 0.006 1 1759 150 152 THR HB H 3.616 0.005 1 1760 150 152 THR HG2 H 0.917 0.004 1 1761 150 152 THR C C 170.637 0.015 1 1762 150 152 THR CA C 61.095 0.062 1 1763 150 152 THR CB C 70.889 0.058 1 1764 150 152 THR CG2 C 21.248 0.072 1 1765 150 152 THR N N 123.151 0.064 1 1766 151 153 CYS H H 8.627 0.002 1 1767 151 153 CYS HA H 3.938 0.008 1 1768 151 153 CYS HB2 H 3.502 0.015 2 1769 151 153 CYS HB3 H 3.256 0.007 2 1770 151 153 CYS C C 172.446 0.022 1 1771 151 153 CYS CA C 52.662 0.070 1 1772 151 153 CYS CB C 40.786 0.098 1 1773 151 153 CYS N N 125.710 0.049 1 1774 152 154 GLU H H 7.605 0.004 1 1775 152 154 GLU HA H 3.994 0.011 1 1776 152 154 GLU HB2 H 1.852 0.010 2 1777 152 154 GLU HB3 H 1.725 0.009 2 1778 152 154 GLU HG2 H 1.986 0.005 2 1779 152 154 GLU HG3 H 1.900 0.006 2 1780 152 154 GLU C C 176.825 0.002 1 1781 152 154 GLU CA C 59.536 0.071 1 1782 152 154 GLU CB C 29.472 0.085 1 1783 152 154 GLU CD C 181.774 0.005 1 1784 152 154 GLU CG C 36.064 0.093 1 1785 152 154 GLU N N 128.402 0.040 1 1786 153 155 SER H H 7.917 0.003 1 1787 153 155 SER HA H 4.693 0.007 1 1788 153 155 SER HB2 H 3.907 0.014 2 1789 153 155 SER HB3 H 3.539 0.007 2 1790 153 155 SER C C 173.841 0.022 1 1791 153 155 SER CA C 57.292 0.094 1 1792 153 155 SER CB C 64.695 0.065 1 1793 153 155 SER N N 109.711 0.020 1 1794 154 156 ILE H H 8.470 0.005 1 1795 154 156 ILE HA H 4.725 0.011 1 1796 154 156 ILE HB H 2.177 0.006 1 1797 154 156 ILE HD1 H 0.971 0.007 1 1798 154 156 ILE HG12 H 1.378 0.006 2 1799 154 156 ILE HG13 H 1.176 0.007 2 1800 154 156 ILE HG2 H 0.898 0.008 1 1801 154 156 ILE C C 175.395 0.005 1 1802 154 156 ILE CA C 60.120 0.099 1 1803 154 156 ILE CB C 38.787 0.065 1 1804 154 156 ILE CD1 C 15.201 0.070 1 1805 154 156 ILE CG1 C 26.250 0.113 1 1806 154 156 ILE CG2 C 19.786 0.079 1 1807 154 156 ILE N N 119.410 0.025 1 1808 155 157 GLY H H 8.142 0.003 1 1809 155 157 GLY HA2 H 4.001 0.008 2 1810 155 157 GLY HA3 H 3.846 0.010 2 1811 155 157 GLY C C 173.069 0.014 1 1812 155 157 GLY CA C 46.228 0.132 1 1813 155 157 GLY N N 110.242 0.033 1 1814 156 158 GLU H H 8.503 0.003 1 1815 156 158 GLU HA H 4.784 0.004 1 1816 156 158 GLU HB2 H 1.994 0.006 2 1817 156 158 GLU HB3 H 1.924 0.006 2 1818 156 158 GLU HG2 H 2.208 0.006 2 1819 156 158 GLU HG3 H 2.208 0.006 2 1820 156 158 GLU C C 173.027 . 1 1821 156 158 GLU CA C 52.926 0.074 1 1822 156 158 GLU CB C 29.597 0.076 1 1823 156 158 GLU CD C 184.276 . 1 1824 156 158 GLU CG C 35.709 0.069 1 1825 156 158 GLU N N 125.293 0.036 1 1826 157 159 PRO HA H 4.685 0.008 1 1827 157 159 PRO HB2 H 1.989 0.006 2 1828 157 159 PRO HB3 H 1.731 0.011 2 1829 157 159 PRO HD2 H 3.804 0.007 2 1830 157 159 PRO HD3 H 3.695 0.009 2 1831 157 159 PRO HG2 H 2.282 0.008 2 1832 157 159 PRO HG3 H 2.151 0.008 2 1833 157 159 PRO C C 176.510 0.014 1 1834 157 159 PRO CA C 63.405 0.096 1 1835 157 159 PRO CB C 32.891 0.090 1 1836 157 159 PRO CD C 50.454 0.093 1 1837 157 159 PRO CG C 27.468 0.061 1 1838 158 160 LYS H H 8.542 0.005 1 1839 158 160 LYS HA H 4.683 0.009 1 1840 158 160 LYS HB2 H 1.915 0.007 2 1841 158 160 LYS HB3 H 1.915 0.007 2 1842 158 160 LYS HD2 H 1.705 0.008 2 1843 158 160 LYS HD3 H 1.705 0.008 2 1844 158 160 LYS HE2 H 2.994 0.009 2 1845 158 160 LYS HE3 H 2.994 0.009 2 1846 158 160 LYS HG2 H 1.541 0.013 2 1847 158 160 LYS HG3 H 1.407 0.009 2 1848 158 160 LYS C C 175.664 0.018 1 1849 158 160 LYS CA C 55.019 0.094 1 1850 158 160 LYS CB C 32.928 0.082 1 1851 158 160 LYS CD C 28.657 0.098 1 1852 158 160 LYS CE C 41.832 0.083 1 1853 158 160 LYS CG C 24.458 0.073 1 1854 158 160 LYS N N 123.849 0.051 1 1855 159 161 ILE H H 8.732 0.007 1 1856 159 161 ILE HA H 4.933 0.005 1 1857 159 161 ILE HB H 1.812 0.006 1 1858 159 161 ILE HD1 H 0.847 0.007 1 1859 159 161 ILE HG12 H 1.317 0.006 2 1860 159 161 ILE HG13 H 1.215 0.011 2 1861 159 161 ILE HG2 H 0.732 0.007 1 1862 159 161 ILE C C 175.577 0.006 1 1863 159 161 ILE CA C 58.546 0.077 1 1864 159 161 ILE CB C 39.648 0.089 1 1865 159 161 ILE CD1 C 13.909 0.087 1 1866 159 161 ILE CG1 C 28.014 0.056 1 1867 159 161 ILE CG2 C 17.947 0.102 1 1868 159 161 ILE N N 127.187 0.070 1 1869 160 162 THR H H 9.146 0.004 1 1870 160 162 THR HA H 4.515 0.003 1 1871 160 162 THR HB H 3.882 0.007 1 1872 160 162 THR HG2 H 1.121 0.007 1 1873 160 162 THR C C 172.912 0.026 1 1874 160 162 THR CA C 61.207 0.062 1 1875 160 162 THR CB C 71.007 0.057 1 1876 160 162 THR CG2 C 21.276 0.071 1 1877 160 162 THR N N 122.401 0.053 1 1878 161 163 LEU H H 8.708 0.004 1 1879 161 163 LEU HA H 5.367 0.008 1 1880 161 163 LEU HB2 H 1.759 0.014 2 1881 161 163 LEU HB3 H 1.453 0.010 2 1882 161 163 LEU HD1 H 0.734 0.009 2 1883 161 163 LEU HD2 H 1.013 0.009 2 1884 161 163 LEU HG H 1.709 0.009 1 1885 161 163 LEU C C 176.918 0.013 1 1886 161 163 LEU CA C 52.113 0.092 1 1887 161 163 LEU CB C 43.438 0.096 1 1888 161 163 LEU CD1 C 24.950 0.088 2 1889 161 163 LEU CD2 C 23.055 0.115 2 1890 161 163 LEU CG C 26.921 0.110 1 1891 161 163 LEU N N 125.585 0.037 1 1892 162 164 SER H H 8.322 0.006 1 1893 162 164 SER HA H 4.410 0.007 1 1894 162 164 SER HB2 H 4.439 0.008 2 1895 162 164 SER HB3 H 4.178 0.010 2 1896 162 164 SER C C 175.826 0.005 1 1897 162 164 SER CA C 58.579 0.079 1 1898 162 164 SER CB C 62.533 0.091 1 1899 162 164 SER N N 116.631 0.047 1 1900 163 165 SER H H 8.929 0.002 1 1901 163 165 SER HA H 4.292 0.008 1 1902 163 165 SER HB2 H 3.996 0.005 2 1903 163 165 SER HB3 H 3.996 0.005 2 1904 163 165 SER C C 176.282 0.034 1 1905 163 165 SER CA C 61.760 0.103 1 1906 163 165 SER CB C 62.647 0.063 1 1907 163 165 SER N N 118.258 0.020 1 1908 164 166 ASP H H 8.963 0.007 1 1909 164 166 ASP HA H 4.383 0.006 1 1910 164 166 ASP HB2 H 2.856 0.007 2 1911 164 166 ASP HB3 H 2.771 0.010 2 1912 164 166 ASP C C 177.769 0.033 1 1913 164 166 ASP CA C 56.344 0.090 1 1914 164 166 ASP CB C 38.739 0.075 1 1915 164 166 ASP CG C 179.508 0.001 1 1916 164 166 ASP N N 121.044 0.055 1 1917 165 167 LEU H H 7.701 0.003 1 1918 165 167 LEU HA H 4.370 0.008 1 1919 165 167 LEU HB2 H 2.091 0.007 2 1920 165 167 LEU HB3 H 1.718 0.011 2 1921 165 167 LEU HD1 H 0.813 0.010 2 1922 165 167 LEU HD2 H 0.827 0.011 2 1923 165 167 LEU HG H 1.430 0.008 1 1924 165 167 LEU C C 177.474 . 1 1925 165 167 LEU CA C 57.026 0.087 1 1926 165 167 LEU CB C 41.155 0.108 1 1927 165 167 LEU CD1 C 27.237 0.119 2 1928 165 167 LEU CD2 C 23.811 0.088 2 1929 165 167 LEU CG C 27.143 0.123 1 1930 165 167 LEU N N 124.851 0.032 1 1931 166 168 SER H H 8.625 0.004 1 1932 166 168 SER HA H 3.876 0.010 1 1933 166 168 SER C C 176.547 0.022 1 1934 166 168 SER CA C 62.261 0.080 1 1935 166 168 SER N N 114.388 0.032 1 1936 167 169 SER H H 8.207 0.004 1 1937 167 169 SER HA H 4.248 0.011 1 1938 167 169 SER HB2 H 3.999 0.008 2 1939 167 169 SER HB3 H 3.999 0.008 2 1940 167 169 SER C C 176.284 0.023 1 1941 167 169 SER CA C 61.434 0.119 1 1942 167 169 SER CB C 62.594 0.095 1 1943 167 169 SER N N 115.072 0.030 1 1944 168 170 ALA H H 7.651 0.004 1 1945 168 170 ALA HA H 4.170 0.012 1 1946 168 170 ALA HB H 1.610 0.004 1 1947 168 170 ALA C C 180.382 0.031 1 1948 168 170 ALA CA C 55.097 0.077 1 1949 168 170 ALA CB C 18.344 0.094 1 1950 168 170 ALA N N 124.450 0.044 1 1951 169 171 LEU H H 8.099 0.004 1 1952 169 171 LEU HA H 3.599 0.006 1 1953 169 171 LEU HB2 H 1.780 0.009 2 1954 169 171 LEU HB3 H 1.232 0.005 2 1955 169 171 LEU HD1 H 0.510 0.008 2 1956 169 171 LEU HD2 H 0.155 0.005 2 1957 169 171 LEU HG H 1.456 0.008 1 1958 169 171 LEU C C 179.573 0.019 1 1959 169 171 LEU CA C 57.086 0.066 1 1960 169 171 LEU CB C 42.047 0.078 1 1961 169 171 LEU CD1 C 25.556 0.095 2 1962 169 171 LEU CD2 C 21.830 0.049 2 1963 169 171 LEU CG C 26.500 0.117 1 1964 169 171 LEU N N 118.192 0.034 1 1965 170 172 GLU H H 8.221 0.006 1 1966 170 172 GLU HA H 3.908 0.006 1 1967 170 172 GLU HB2 H 2.144 0.013 2 1968 170 172 GLU HB3 H 2.027 0.007 2 1969 170 172 GLU HG2 H 2.387 0.008 2 1970 170 172 GLU HG3 H 2.129 0.011 2 1971 170 172 GLU C C 178.834 0.014 1 1972 170 172 GLU CA C 58.911 0.091 1 1973 170 172 GLU CB C 29.269 0.115 1 1974 170 172 GLU CD C 182.272 . 1 1975 170 172 GLU CG C 36.098 0.112 1 1976 170 172 GLU N N 120.620 0.056 1 1977 171 173 LYS H H 8.070 0.005 1 1978 171 173 LYS HA H 4.145 0.006 1 1979 171 173 LYS HB2 H 1.940 0.007 2 1980 171 173 LYS HB3 H 1.940 0.007 2 1981 171 173 LYS HG2 H 1.604 0.008 2 1982 171 173 LYS HG3 H 1.604 0.008 2 1983 171 173 LYS C C 178.453 0.015 1 1984 171 173 LYS CA C 58.516 0.105 1 1985 171 173 LYS CB C 32.417 0.097 1 1986 171 173 LYS CG C 24.954 0.093 1 1987 171 173 LYS N N 119.292 0.030 1 1988 172 174 ASP H H 7.872 0.005 1 1989 172 174 ASP HA H 4.641 0.006 1 1990 172 174 ASP HB2 H 2.751 0.005 2 1991 172 174 ASP HB3 H 2.682 0.007 2 1992 172 174 ASP C C 176.616 0.005 1 1993 172 174 ASP CA C 56.373 0.040 1 1994 172 174 ASP CB C 42.858 0.089 1 1995 172 174 ASP CG C 179.153 0.002 1 1996 172 174 ASP N N 118.266 0.054 1 1997 173 175 SER H H 7.813 0.005 1 1998 173 175 SER HA H 4.447 0.004 1 1999 173 175 SER HB2 H 4.011 0.009 2 2000 173 175 SER HB3 H 4.011 0.009 2 2001 173 175 SER C C 175.253 0.011 1 2002 173 175 SER CA C 58.983 0.070 1 2003 173 175 SER CB C 64.206 0.095 1 2004 173 175 SER N N 112.284 0.042 1 2005 174 176 GLY H H 8.090 0.004 1 2006 174 176 GLY HA2 H 4.138 0.008 2 2007 174 176 GLY HA3 H 3.857 0.008 2 2008 174 176 GLY C C 173.834 0.006 1 2009 174 176 GLY CA C 45.723 0.088 1 2010 174 176 GLY N N 110.521 0.036 1 2011 175 177 ASN H H 8.246 0.006 1 2012 175 177 ASN HA H 4.721 0.007 1 2013 175 177 ASN HB2 H 2.881 0.009 2 2014 175 177 ASN HB3 H 2.741 0.008 2 2015 175 177 ASN HD21 H 7.450 0.003 2 2016 175 177 ASN HD22 H 6.869 0.003 2 2017 175 177 ASN C C 174.416 0.013 1 2018 175 177 ASN CA C 52.779 0.067 1 2019 175 177 ASN CB C 39.058 0.109 1 2020 175 177 ASN CG C 176.916 0.002 1 2021 175 177 ASN N N 118.072 0.051 1 2022 175 177 ASN ND2 N 112.519 0.064 1 2023 176 178 ASN H H 8.264 0.005 1 2024 176 178 ASN HA H 4.635 0.006 1 2025 176 178 ASN HB2 H 2.862 0.006 2 2026 176 178 ASN HB3 H 2.752 0.008 2 2027 176 178 ASN HD21 H 7.557 0.007 2 2028 176 178 ASN HD22 H 6.833 0.005 2 2029 176 178 ASN C C 174.243 0.008 1 2030 176 178 ASN CA C 53.640 0.065 1 2031 176 178 ASN CB C 38.865 0.062 1 2032 176 178 ASN CG C 177.142 0.000 1 2033 176 178 ASN N N 117.782 0.046 1 2034 176 178 ASN ND2 N 112.748 0.059 1 2035 177 179 SER H H 7.859 0.002 1 2036 177 179 SER HA H 4.446 0.002 1 2037 177 179 SER HB2 H 3.768 0.006 2 2038 177 179 SER HB3 H 3.768 0.006 2 2039 177 179 SER C C 173.298 0.014 1 2040 177 179 SER CA C 57.784 0.060 1 2041 177 179 SER CB C 64.135 0.058 1 2042 177 179 SER N N 112.675 0.030 1 2043 178 180 LEU H H 8.464 0.007 1 2044 178 180 LEU HA H 4.422 0.007 1 2045 178 180 LEU HB2 H 1.617 0.008 2 2046 178 180 LEU HB3 H 1.507 0.008 2 2047 178 180 LEU HD1 H 0.866 0.012 2 2048 178 180 LEU HD2 H 0.790 0.010 2 2049 178 180 LEU HG H 1.647 0.008 1 2050 178 180 LEU C C 176.161 0.018 1 2051 178 180 LEU CA C 54.253 0.097 1 2052 178 180 LEU CB C 41.478 0.061 1 2053 178 180 LEU CD1 C 25.194 0.110 2 2054 178 180 LEU CD2 C 23.507 0.085 2 2055 178 180 LEU CG C 26.772 0.089 1 2056 178 180 LEU N N 123.237 0.054 1 2057 179 181 GLU H H 8.099 0.004 1 2058 179 181 GLU HA H 4.672 0.005 1 2059 179 181 GLU HB2 H 2.198 0.010 2 2060 179 181 GLU HB3 H 1.797 0.006 2 2061 179 181 GLU HG2 H 2.348 0.006 2 2062 179 181 GLU HG3 H 2.241 0.010 2 2063 179 181 GLU C C 176.057 . 1 2064 179 181 GLU CA C 53.569 0.082 1 2065 179 181 GLU CB C 30.066 0.070 1 2066 179 181 GLU CD C 182.932 0.003 1 2067 179 181 GLU CG C 35.494 0.117 1 2068 179 181 GLU N N 124.056 0.035 1 2069 180 182 PRO HA H 4.197 0.006 1 2070 180 182 PRO HB2 H 2.210 0.005 2 2071 180 182 PRO HB3 H 1.914 0.009 2 2072 180 182 PRO HD2 H 3.886 0.008 2 2073 180 182 PRO HD3 H 3.833 0.013 2 2074 180 182 PRO HG2 H 2.024 0.011 2 2075 180 182 PRO HG3 H 2.024 0.011 2 2076 180 182 PRO C C 175.935 0.005 1 2077 180 182 PRO CA C 64.759 0.068 1 2078 180 182 PRO CB C 31.686 0.085 1 2079 180 182 PRO CD C 50.727 0.067 1 2080 180 182 PRO CG C 27.184 0.102 1 2081 181 183 ASP H H 8.144 0.002 1 2082 181 183 ASP HA H 4.710 0.007 1 2083 181 183 ASP HB2 H 2.743 0.008 2 2084 181 183 ASP HB3 H 2.643 0.004 2 2085 181 183 ASP C C 175.168 0.017 1 2086 181 183 ASP CA C 53.477 0.087 1 2087 181 183 ASP CB C 40.407 0.098 1 2088 181 183 ASP CG C 180.559 0.000 1 2089 181 183 ASP N N 114.440 0.036 1 2090 182 184 MET H H 7.696 0.003 1 2091 182 184 MET HA H 4.710 0.007 1 2092 182 184 MET HB2 H 2.214 0.003 2 2093 182 184 MET HB3 H 2.056 0.008 2 2094 182 184 MET HE H 2.163 0.007 1 2095 182 184 MET HG2 H 2.644 0.003 2 2096 182 184 MET HG3 H 2.578 0.005 2 2097 182 184 MET C C 176.214 0.001 1 2098 182 184 MET CA C 53.653 0.096 1 2099 182 184 MET CB C 34.746 0.099 1 2100 182 184 MET CE C 17.252 0.093 1 2101 182 184 MET CG C 32.268 0.076 1 2102 182 184 MET N N 118.841 0.055 1 2103 183 185 GLU H H 8.831 0.004 1 2104 183 185 GLU HA H 4.980 0.007 1 2105 183 185 GLU HB2 H 1.737 0.010 2 2106 183 185 GLU HB3 H 1.737 0.010 2 2107 183 185 GLU HG2 H 2.339 . 2 2108 183 185 GLU HG3 H 2.294 . 2 2109 183 185 GLU C C 176.834 . 1 2110 183 185 GLU CA C 54.543 0.093 1 2111 183 185 GLU CB C 28.025 0.104 1 2112 183 185 GLU CD C 181.699 0.010 1 2113 183 185 GLU CG C 33.343 0.087 1 2114 183 185 GLU N N 120.933 0.038 1 2115 184 186 PRO HA H 5.446 0.008 1 2116 184 186 PRO HB2 H 2.136 0.012 2 2117 184 186 PRO HB3 H 2.011 0.009 2 2118 184 186 PRO HD2 H 3.565 0.007 2 2119 184 186 PRO HD3 H 3.475 0.006 2 2120 184 186 PRO HG2 H 1.813 0.006 2 2121 184 186 PRO HG3 H 1.506 0.014 2 2122 184 186 PRO C C 175.628 0.007 1 2123 184 186 PRO CA C 63.056 0.098 1 2124 184 186 PRO CB C 33.744 0.088 1 2125 184 186 PRO CD C 48.711 0.055 1 2126 184 186 PRO CG C 24.566 0.089 1 2127 185 187 LEU H H 8.131 0.004 1 2128 185 187 LEU HA H 3.978 0.008 1 2129 185 187 LEU HB2 H 1.889 0.007 2 2130 185 187 LEU HB3 H 1.661 0.012 2 2131 185 187 LEU HD1 H 0.858 0.008 2 2132 185 187 LEU HD2 H 0.776 0.010 2 2133 185 187 LEU HG H 1.632 0.009 1 2134 185 187 LEU C C 178.026 0.005 1 2135 185 187 LEU CA C 58.569 0.088 1 2136 185 187 LEU CB C 40.502 0.089 1 2137 185 187 LEU CD1 C 24.444 0.104 2 2138 185 187 LEU CD2 C 23.571 0.093 2 2139 185 187 LEU CG C 27.708 0.106 1 2140 185 187 LEU N N 126.289 0.053 1 2141 186 188 LYS H H 8.139 0.004 1 2142 186 188 LYS HA H 3.977 0.009 1 2143 186 188 LYS HB2 H 1.482 0.007 2 2144 186 188 LYS HB3 H 1.421 0.007 2 2145 186 188 LYS HD2 H 1.620 0.012 2 2146 186 188 LYS HD3 H 1.620 0.012 2 2147 186 188 LYS HE2 H 2.943 0.010 2 2148 186 188 LYS HE3 H 2.943 0.010 2 2149 186 188 LYS HG2 H 1.383 0.008 2 2150 186 188 LYS HG3 H 1.317 0.007 2 2151 186 188 LYS C C 178.850 0.020 1 2152 186 188 LYS CA C 60.362 0.064 1 2153 186 188 LYS CB C 31.776 0.088 1 2154 186 188 LYS CD C 29.349 0.107 1 2155 186 188 LYS CE C 41.707 0.077 1 2156 186 188 LYS CG C 24.309 0.103 1 2157 186 188 LYS N N 119.092 0.044 1 2158 187 189 THR H H 7.840 0.005 1 2159 187 189 THR HA H 4.147 0.011 1 2160 187 189 THR HB H 4.184 0.009 1 2161 187 189 THR HG2 H 1.070 0.005 1 2162 187 189 THR C C 176.508 0.012 1 2163 187 189 THR CA C 67.997 0.094 1 2164 187 189 THR CB C 67.135 0.105 1 2165 187 189 THR CG2 C 22.568 0.084 1 2166 187 189 THR N N 117.571 0.032 1 2167 188 190 LEU H H 7.986 0.006 1 2168 188 190 LEU HA H 3.994 0.009 1 2169 188 190 LEU HB2 H 2.238 0.012 2 2170 188 190 LEU HB3 H 2.238 0.012 2 2171 188 190 LEU HD1 H 0.819 0.008 2 2172 188 190 LEU HD2 H 0.740 0.007 2 2173 188 190 LEU HG H 1.944 0.007 1 2174 188 190 LEU C C 175.608 0.028 1 2175 188 190 LEU CA C 57.483 0.079 1 2176 188 190 LEU CB C 41.579 0.080 1 2177 188 190 LEU CD1 C 25.357 0.107 2 2178 188 190 LEU CD2 C 23.869 0.090 2 2179 188 190 LEU CG C 26.565 0.080 1 2180 188 190 LEU N N 120.021 0.043 1 2181 189 191 ARG H H 7.770 0.004 1 2182 189 191 ARG HA H 4.438 0.009 1 2183 189 191 ARG HB2 H 1.968 0.007 2 2184 189 191 ARG HB3 H 1.898 0.006 2 2185 189 191 ARG HD2 H 3.313 0.008 2 2186 189 191 ARG HD3 H 3.214 0.007 2 2187 189 191 ARG HE H 7.461 0.002 1 2188 189 191 ARG HG2 H 1.775 0.010 2 2189 189 191 ARG HG3 H 1.775 0.010 2 2190 189 191 ARG C C 174.651 0.009 1 2191 189 191 ARG CA C 55.957 0.090 1 2192 189 191 ARG CB C 31.499 0.095 1 2193 189 191 ARG CD C 43.531 0.076 1 2194 189 191 ARG CG C 28.197 0.084 1 2195 189 191 ARG N N 114.506 0.036 1 2196 189 191 ARG NE N 83.866 0.027 1 2197 190 192 GLN H H 7.494 0.003 1 2198 190 192 GLN HA H 4.540 0.008 1 2199 190 192 GLN HB2 H 2.188 0.012 2 2200 190 192 GLN HB3 H 2.188 0.012 2 2201 190 192 GLN HE21 H 7.371 0.002 2 2202 190 192 GLN HE22 H 6.895 0.002 2 2203 190 192 GLN HG2 H 2.382 0.005 2 2204 190 192 GLN HG3 H 2.328 0.008 2 2205 190 192 GLN C C 175.550 0.037 1 2206 190 192 GLN CA C 57.599 0.083 1 2207 190 192 GLN CB C 29.324 0.087 1 2208 190 192 GLN CD C 179.752 0.011 1 2209 190 192 GLN CG C 33.848 0.096 1 2210 190 192 GLN N N 118.333 0.036 1 2211 190 192 GLN NE2 N 111.408 0.033 1 2212 191 193 ALA H H 8.495 0.005 1 2213 191 193 ALA HA H 4.186 0.010 1 2214 191 193 ALA HB H 1.607 0.006 1 2215 191 193 ALA C C 180.252 0.018 1 2216 191 193 ALA CA C 55.835 0.106 1 2217 191 193 ALA CB C 18.552 0.061 1 2218 191 193 ALA N N 124.329 0.037 1 2219 192 194 ALA H H 8.931 0.005 1 2220 192 194 ALA HA H 4.050 0.009 1 2221 192 194 ALA HB H 1.496 0.008 1 2222 192 194 ALA C C 178.351 0.001 1 2223 192 194 ALA CA C 55.414 0.081 1 2224 192 194 ALA CB C 18.596 0.075 1 2225 192 194 ALA N N 115.152 0.042 1 2226 193 195 ILE H H 7.084 0.004 1 2227 193 195 ILE HA H 3.578 0.005 1 2228 193 195 ILE HB H 2.055 0.012 1 2229 193 195 ILE HD1 H 0.770 0.006 1 2230 193 195 ILE HG12 H 1.629 0.010 2 2231 193 195 ILE HG13 H 1.182 0.007 2 2232 193 195 ILE HG2 H 0.851 0.009 1 2233 193 195 ILE C C 178.260 0.004 1 2234 193 195 ILE CA C 63.807 0.096 1 2235 193 195 ILE CB C 35.465 0.071 1 2236 193 195 ILE CD1 C 11.126 0.082 1 2237 193 195 ILE CG1 C 28.287 0.101 1 2238 193 195 ILE CG2 C 17.634 0.080 1 2239 193 195 ILE N N 115.107 0.033 1 2240 194 196 CYS H H 7.941 0.005 1 2241 194 196 CYS HA H 4.693 0.007 1 2242 194 196 CYS HB2 H 3.400 0.016 2 2243 194 196 CYS HB3 H 3.064 0.011 2 2244 194 196 CYS C C 176.971 0.016 1 2245 194 196 CYS CA C 57.588 0.109 1 2246 194 196 CYS CB C 37.131 0.112 1 2247 194 196 CYS N N 116.640 0.047 1 2248 195 197 LYS H H 8.044 0.006 1 2249 195 197 LYS HA H 4.329 0.008 1 2250 195 197 LYS HB2 H 2.018 0.010 2 2251 195 197 LYS HB3 H 1.907 0.009 2 2252 195 197 LYS HD2 H 1.846 0.011 2 2253 195 197 LYS HD3 H 1.846 0.011 2 2254 195 197 LYS HE2 H 3.111 0.008 2 2255 195 197 LYS HE3 H 3.111 0.008 2 2256 195 197 LYS HG2 H 1.698 0.009 2 2257 195 197 LYS HG3 H 1.596 0.012 2 2258 195 197 LYS C C 178.959 0.041 1 2259 195 197 LYS CA C 57.807 0.084 1 2260 195 197 LYS CB C 31.460 0.105 1 2261 195 197 LYS CD C 27.944 0.089 1 2262 195 197 LYS CE C 41.860 0.069 1 2263 195 197 LYS CG C 24.569 0.112 1 2264 195 197 LYS N N 121.174 0.046 1 2265 196 198 ILE H H 8.297 0.004 1 2266 196 198 ILE HA H 3.389 0.007 1 2267 196 198 ILE HB H 1.762 0.009 1 2268 196 198 ILE HD1 H 0.185 0.008 1 2269 196 198 ILE HG12 H 1.607 0.009 2 2270 196 198 ILE HG13 H 0.223 0.010 2 2271 196 198 ILE HG2 H 0.647 0.008 1 2272 196 198 ILE C C 177.955 0.038 1 2273 196 198 ILE CA C 65.733 0.099 1 2274 196 198 ILE CB C 38.368 0.105 1 2275 196 198 ILE CD1 C 13.208 0.099 1 2276 196 198 ILE CG1 C 29.561 0.095 1 2277 196 198 ILE CG2 C 17.332 0.083 1 2278 196 198 ILE N N 122.133 0.066 1 2279 197 199 ALA H H 9.154 0.006 1 2280 197 199 ALA HA H 3.997 0.007 1 2281 197 199 ALA HB H 1.707 0.008 1 2282 197 199 ALA C C 178.173 0.029 1 2283 197 199 ALA CA C 55.832 0.112 1 2284 197 199 ALA CB C 17.438 0.092 1 2285 197 199 ALA N N 122.558 0.051 1 2286 198 200 GLU H H 8.279 0.005 1 2287 198 200 GLU HA H 2.212 0.005 1 2288 198 200 GLU HB2 H 2.010 0.012 2 2289 198 200 GLU HB3 H 1.923 0.010 2 2290 198 200 GLU HG2 H 2.209 0.005 2 2291 198 200 GLU HG3 H 2.209 0.005 2 2292 198 200 GLU C C 177.267 0.019 1 2293 198 200 GLU CA C 59.584 0.059 1 2294 198 200 GLU CB C 29.482 0.108 1 2295 198 200 GLU CD C 184.276 . 1 2296 198 200 GLU CG C 35.672 0.101 1 2297 198 200 GLU N N 120.410 0.034 1 2298 199 201 ALA H H 7.335 0.003 1 2299 199 201 ALA HA H 4.085 0.009 1 2300 199 201 ALA HB H 1.535 0.006 1 2301 199 201 ALA C C 180.873 0.031 1 2302 199 201 ALA CA C 55.275 0.094 1 2303 199 201 ALA CB C 17.250 0.073 1 2304 199 201 ALA N N 120.474 0.017 1 2305 200 202 CYS H H 7.996 0.005 1 2306 200 202 CYS HA H 4.032 0.011 1 2307 200 202 CYS HB2 H 3.664 0.009 2 2308 200 202 CYS HB3 H 2.405 0.010 2 2309 200 202 CYS C C 176.993 0.040 1 2310 200 202 CYS CA C 62.766 0.089 1 2311 200 202 CYS CB C 26.561 0.068 1 2312 200 202 CYS N N 116.441 0.052 1 2313 201 203 TYR H H 8.626 0.005 1 2314 201 203 TYR HA H 3.883 0.009 1 2315 201 203 TYR HB2 H 2.743 0.011 2 2316 201 203 TYR HB3 H 2.541 0.005 2 2317 201 203 TYR HD1 H 7.193 0.012 3 2318 201 203 TYR HD2 H 7.193 0.012 3 2319 201 203 TYR HE1 H 6.704 0.006 3 2320 201 203 TYR HE2 H 6.704 0.006 3 2321 201 203 TYR C C 178.403 0.051 1 2322 201 203 TYR CA C 63.272 0.088 1 2323 201 203 TYR CB C 37.683 0.116 1 2324 201 203 TYR CD1 C 132.380 0.138 3 2325 201 203 TYR CD2 C 132.380 0.138 3 2326 201 203 TYR CE1 C 116.685 0.078 3 2327 201 203 TYR CE2 C 116.685 0.078 3 2328 201 203 TYR N N 119.226 0.039 1 2329 202 204 ILE H H 8.528 0.006 1 2330 202 204 ILE HA H 3.963 0.005 1 2331 202 204 ILE HB H 2.088 0.006 1 2332 202 204 ILE HD1 H 0.946 0.004 1 2333 202 204 ILE HG12 H 1.922 0.008 2 2334 202 204 ILE HG13 H 1.274 0.009 2 2335 202 204 ILE HG2 H 1.143 0.006 1 2336 202 204 ILE C C 180.315 0.006 1 2337 202 204 ILE CA C 65.729 0.073 1 2338 202 204 ILE CB C 37.876 0.079 1 2339 202 204 ILE CD1 C 13.515 0.044 1 2340 202 204 ILE CG1 C 29.123 0.095 1 2341 202 204 ILE CG2 C 16.949 0.082 1 2342 202 204 ILE N N 123.294 0.100 1 2343 203 205 SER H H 7.319 0.004 1 2344 203 205 SER HA H 4.549 0.010 1 2345 203 205 SER HB2 H 4.287 0.009 2 2346 203 205 SER HB3 H 3.911 0.010 2 2347 203 205 SER C C 174.975 . 1 2348 203 205 SER CA C 63.373 0.103 1 2349 203 205 SER CB C 62.815 0.099 1 2350 203 205 SER N N 117.947 0.071 1 2351 204 206 VAL H H 7.850 0.005 1 2352 204 206 VAL HA H 3.543 0.007 1 2353 204 206 VAL HB H 2.192 0.008 1 2354 204 206 VAL HG1 H 0.805 0.008 2 2355 204 206 VAL HG2 H 1.015 0.009 2 2356 204 206 VAL C C 179.124 0.029 1 2357 204 206 VAL CA C 66.662 0.086 1 2358 204 206 VAL CB C 32.176 0.087 1 2359 204 206 VAL CG1 C 23.083 0.109 2 2360 204 206 VAL CG2 C 20.203 0.122 2 2361 204 206 VAL N N 121.280 0.032 1 2362 205 207 VAL H H 8.891 0.004 1 2363 205 207 VAL HA H 3.553 0.007 1 2364 205 207 VAL HB H 2.137 0.008 1 2365 205 207 VAL HG1 H 1.223 0.009 2 2366 205 207 VAL HG2 H 0.629 0.005 2 2367 205 207 VAL C C 177.185 0.003 1 2368 205 207 VAL CA C 66.387 0.096 1 2369 205 207 VAL CB C 30.313 0.095 1 2370 205 207 VAL CG1 C 25.163 0.087 2 2371 205 207 VAL CG2 C 22.288 0.069 2 2372 205 207 VAL N N 119.214 0.038 1 2373 206 208 HIS H H 8.489 0.003 1 2374 206 208 HIS HA H 3.749 0.006 1 2375 206 208 HIS HB2 H 3.052 0.008 2 2376 206 208 HIS HB3 H 2.774 0.010 2 2377 206 208 HIS HD2 H 6.563 0.008 1 2378 206 208 HIS HE1 H 8.256 0.005 1 2379 206 208 HIS C C 176.093 0.003 1 2380 206 208 HIS CA C 60.109 0.098 1 2381 206 208 HIS CB C 26.956 0.096 1 2382 206 208 HIS CD2 C 120.210 0.080 1 2383 206 208 HIS CE1 C 134.359 0.078 1 2384 206 208 HIS N N 121.199 0.055 1 2385 207 209 ASN H H 7.614 0.005 1 2386 207 209 ASN HA H 4.422 0.007 1 2387 207 209 ASN HB2 H 3.181 0.012 2 2388 207 209 ASN HB3 H 2.736 0.009 2 2389 207 209 ASN HD21 H 8.925 0.007 2 2390 207 209 ASN HD22 H 8.628 0.006 2 2391 207 209 ASN C C 178.812 0.005 1 2392 207 209 ASN CA C 55.290 0.091 1 2393 207 209 ASN CB C 36.986 0.133 1 2394 207 209 ASN N N 117.796 0.029 1 2395 207 209 ASN ND2 N 113.919 0.038 1 2396 208 210 ILE H H 7.532 0.004 1 2397 208 210 ILE HA H 3.397 0.009 1 2398 208 210 ILE HB H 1.824 0.009 1 2399 208 210 ILE HD1 H 0.692 0.015 1 2400 208 210 ILE HG12 H 2.003 0.009 2 2401 208 210 ILE HG13 H 0.758 0.006 2 2402 208 210 ILE HG2 H 0.559 0.008 1 2403 208 210 ILE C C 176.534 0.028 1 2404 208 210 ILE CA C 66.811 0.097 1 2405 208 210 ILE CB C 37.988 0.094 1 2406 208 210 ILE CD1 C 12.669 0.081 1 2407 208 210 ILE CG1 C 28.486 0.106 1 2408 208 210 ILE CG2 C 17.326 0.099 1 2409 208 210 ILE N N 124.187 0.030 1 2410 209 211 ARG H H 8.316 0.006 1 2411 209 211 ARG HA H 3.480 0.011 1 2412 209 211 ARG HB2 H 1.809 0.007 2 2413 209 211 ARG HB3 H 1.407 0.010 2 2414 209 211 ARG HD2 H 3.377 0.007 2 2415 209 211 ARG HD3 H 3.170 0.012 2 2416 209 211 ARG HE H 6.141 0.003 1 2417 209 211 ARG C C 178.360 0.006 1 2418 209 211 ARG CA C 59.694 0.095 1 2419 209 211 ARG CB C 30.031 0.134 1 2420 209 211 ARG CD C 43.366 0.117 1 2421 209 211 ARG CG C 28.045 0.102 1 2422 209 211 ARG N N 121.049 0.042 1 2423 209 211 ARG NE N 82.998 0.031 1 2424 210 212 ALA H H 9.007 0.005 1 2425 210 212 ALA HA H 3.999 0.008 1 2426 210 212 ALA HB H 1.233 0.007 1 2427 210 212 ALA C C 181.415 0.002 1 2428 210 212 ALA CA C 54.684 0.080 1 2429 210 212 ALA CB C 18.796 0.088 1 2430 210 212 ALA N N 120.829 0.055 1 2431 211 213 SER H H 8.130 0.005 1 2432 211 213 SER HA H 4.010 0.010 1 2433 211 213 SER C C 175.747 . 1 2434 211 213 SER CA C 62.675 0.135 1 2435 211 213 SER CB C 62.323 . 1 2436 211 213 SER N N 115.380 0.044 1 2437 212 214 ALA H H 8.392 0.005 1 2438 212 214 ALA HA H 4.656 0.009 1 2439 212 214 ALA HB H 1.522 0.009 1 2440 212 214 ALA C C 178.530 0.004 1 2441 212 214 ALA CA C 53.535 0.124 1 2442 212 214 ALA CB C 17.667 0.082 1 2443 212 214 ALA N N 124.481 0.062 1 2444 213 215 LYS H H 7.349 0.004 1 2445 213 215 LYS HA H 4.155 0.007 1 2446 213 215 LYS HB2 H 1.905 0.008 2 2447 213 215 LYS HB3 H 1.905 0.008 2 2448 213 215 LYS HD2 H 1.690 0.010 2 2449 213 215 LYS HD3 H 1.690 0.010 2 2450 213 215 LYS HE2 H 2.979 0.011 2 2451 213 215 LYS HE3 H 2.979 0.011 2 2452 213 215 LYS HG2 H 1.670 0.012 2 2453 213 215 LYS HG3 H 1.448 0.014 2 2454 213 215 LYS C C 177.284 . 1 2455 213 215 LYS CA C 58.291 0.102 1 2456 213 215 LYS CB C 32.858 0.101 1 2457 213 215 LYS CD C 29.129 0.117 1 2458 213 215 LYS CE C 41.819 0.088 1 2459 213 215 LYS CG C 24.931 0.099 1 2460 213 215 LYS N N 116.096 0.041 1 2461 214 216 ILE H H 7.003 0.005 1 2462 214 216 ILE HA H 4.158 0.005 1 2463 214 216 ILE HB H 1.788 0.006 1 2464 214 216 ILE HD1 H 0.470 0.005 1 2465 214 216 ILE HG12 H 1.271 0.008 2 2466 214 216 ILE HG13 H 1.271 0.008 2 2467 214 216 ILE HG2 H 0.657 0.007 1 2468 214 216 ILE C C 176.577 0.008 1 2469 214 216 ILE CA C 60.997 0.062 1 2470 214 216 ILE CB C 39.032 0.084 1 2471 214 216 ILE CD1 C 12.049 0.066 1 2472 214 216 ILE CG1 C 26.577 0.096 1 2473 214 216 ILE CG2 C 17.562 0.059 1 2474 214 216 ILE N N 112.822 0.072 1 2475 215 217 LEU H H 8.347 0.003 1 2476 215 217 LEU HA H 4.801 0.009 1 2477 215 217 LEU HB2 H 1.810 0.012 2 2478 215 217 LEU HB3 H 1.325 0.011 2 2479 215 217 LEU HD1 H 0.621 0.007 2 2480 215 217 LEU HD2 H 0.827 0.006 2 2481 215 217 LEU HG H 1.718 0.007 1 2482 215 217 LEU C C 174.761 . 1 2483 215 217 LEU CA C 52.377 0.069 1 2484 215 217 LEU CB C 41.889 0.098 1 2485 215 217 LEU CD1 C 25.690 0.088 2 2486 215 217 LEU CD2 C 22.789 0.098 2 2487 215 217 LEU CG C 26.955 0.111 1 2488 215 217 LEU N N 123.224 0.046 1 2489 216 218 PRO HA H 3.859 0.007 1 2490 216 218 PRO HB2 H 2.178 0.006 2 2491 216 218 PRO HB3 H 1.957 0.008 2 2492 216 218 PRO HD2 H 3.676 0.011 2 2493 216 218 PRO HD3 H 3.676 0.011 2 2494 216 218 PRO HG2 H 2.052 0.009 2 2495 216 218 PRO HG3 H 2.052 0.009 2 2496 216 218 PRO C C 177.026 0.021 1 2497 216 218 PRO CA C 62.063 0.103 1 2498 216 218 PRO CB C 31.857 0.112 1 2499 216 218 PRO CD C 50.268 0.090 1 2500 216 218 PRO CG C 27.519 0.101 1 2501 217 219 ALA H H 8.810 0.004 1 2502 217 219 ALA HA H 4.287 0.006 1 2503 217 219 ALA HB H 0.681 0.010 1 2504 217 219 ALA C C 179.274 0.008 1 2505 217 219 ALA CA C 55.578 0.080 1 2506 217 219 ALA CB C 17.542 0.072 1 2507 217 219 ALA N N 126.695 0.041 1 2508 218 220 SER H H 8.257 0.003 1 2509 218 220 SER HA H 4.650 0.010 1 2510 218 220 SER HB2 H 4.108 0.011 2 2511 218 220 SER HB3 H 3.867 0.009 2 2512 218 220 SER C C 174.896 0.041 1 2513 218 220 SER CA C 59.054 0.067 1 2514 218 220 SER CB C 62.449 0.113 1 2515 218 220 SER N N 110.423 0.042 1 2516 219 221 SER H H 8.003 0.005 1 2517 219 221 SER HA H 4.162 0.007 1 2518 219 221 SER HB2 H 3.676 0.008 2 2519 219 221 SER HB3 H 3.566 0.010 2 2520 219 221 SER C C 171.879 0.010 1 2521 219 221 SER CA C 61.111 0.061 1 2522 219 221 SER CB C 62.754 0.084 1 2523 219 221 SER N N 117.530 0.053 1 2524 220 222 PHE H H 7.547 0.006 1 2525 220 222 PHE HA H 4.097 0.009 1 2526 220 222 PHE HB2 H 3.181 0.012 2 2527 220 222 PHE HB3 H 2.075 0.006 2 2528 220 222 PHE HD1 H 7.117 0.015 3 2529 220 222 PHE HD2 H 7.117 0.015 3 2530 220 222 PHE HE1 H 6.845 0.012 3 2531 220 222 PHE HE2 H 6.845 0.012 3 2532 220 222 PHE HZ H 6.944 0.017 1 2533 220 222 PHE C C 175.723 0.005 1 2534 220 222 PHE CA C 58.832 0.089 1 2535 220 222 PHE CB C 40.950 0.064 1 2536 220 222 PHE CD1 C 131.993 0.083 3 2537 220 222 PHE CD2 C 131.993 0.083 3 2538 220 222 PHE CE1 C 129.995 0.147 3 2539 220 222 PHE CE2 C 129.995 0.147 3 2540 220 222 PHE CZ C 128.916 0.128 1 2541 220 222 PHE N N 114.245 0.046 1 2542 221 223 PHE H H 7.143 0.006 1 2543 221 223 PHE HA H 6.145 0.009 1 2544 221 223 PHE HB2 H 3.204 0.005 2 2545 221 223 PHE HB3 H 2.603 0.007 2 2546 221 223 PHE HD1 H 7.179 0.008 3 2547 221 223 PHE HD2 H 7.179 0.008 3 2548 221 223 PHE C C 175.070 0.014 1 2549 221 223 PHE CA C 54.890 0.090 1 2550 221 223 PHE CB C 43.735 0.123 1 2551 221 223 PHE CD1 C 132.214 0.102 3 2552 221 223 PHE CD2 C 132.214 0.102 3 2553 221 223 PHE N N 111.124 0.045 1 2554 222 224 GLU H H 7.969 0.007 1 2555 222 224 GLU HA H 4.369 0.005 1 2556 222 224 GLU HB2 H 1.979 0.009 2 2557 222 224 GLU HB3 H 1.860 0.007 2 2558 222 224 GLU HG2 H 2.078 0.007 2 2559 222 224 GLU HG3 H 2.078 0.007 2 2560 222 224 GLU C C 175.903 0.006 1 2561 222 224 GLU CA C 56.206 0.104 1 2562 222 224 GLU CB C 31.430 0.102 1 2563 222 224 GLU CD C 182.150 . 1 2564 222 224 GLU CG C 36.029 0.102 1 2565 222 224 GLU N N 119.886 0.075 1 2566 223 225 ASN H H 8.426 0.005 1 2567 223 225 ASN HA H 4.725 0.009 1 2568 223 225 ASN HB2 H 2.878 0.008 2 2569 223 225 ASN HB3 H 2.878 0.008 2 2570 223 225 ASN HD21 H 7.659 0.004 2 2571 223 225 ASN HD22 H 7.029 0.003 2 2572 223 225 ASN C C 174.087 0.008 1 2573 223 225 ASN CA C 52.970 0.075 1 2574 223 225 ASN CB C 37.873 0.053 1 2575 223 225 ASN CG C 178.132 . 1 2576 223 225 ASN N N 116.559 0.051 1 2577 223 225 ASN ND2 N 112.041 0.072 1 2578 224 226 LEU H H 8.092 0.002 1 2579 224 226 LEU HA H 4.257 0.005 1 2580 224 226 LEU HB2 H 1.652 0.006 2 2581 224 226 LEU HB3 H 1.522 0.006 2 2582 224 226 LEU HD1 H 0.887 0.008 2 2583 224 226 LEU HD2 H 0.850 0.004 2 2584 224 226 LEU HG H 1.636 0.014 1 2585 224 226 LEU C C 175.764 0.016 1 2586 224 226 LEU CA C 55.497 0.055 1 2587 224 226 LEU CB C 42.319 0.121 1 2588 224 226 LEU CD1 C 25.362 0.093 2 2589 224 226 LEU CD2 C 24.537 0.060 2 2590 224 226 LEU CG C 26.904 0.110 1 2591 224 226 LEU N N 120.590 0.032 1 2592 225 227 ASN H H 7.791 0.002 1 2593 225 227 ASN HA H 4.428 0.005 1 2594 225 227 ASN HB2 H 2.736 0.007 2 2595 225 227 ASN HB3 H 2.658 0.008 2 2596 225 227 ASN HD21 H 7.402 0.004 2 2597 225 227 ASN HD22 H 6.756 0.001 2 2598 225 227 ASN C C 179.020 . 1 2599 225 227 ASN CA C 54.454 0.053 1 2600 225 227 ASN CB C 40.520 0.069 1 2601 225 227 ASN CG C 178.159 0.004 1 2602 225 227 ASN N N 124.328 0.026 1 2603 225 227 ASN ND2 N 112.628 0.041 1 stop_ save_