data_16536 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the E1064A mutant of the N-domain of Wilson Disease Associated Protein ; _BMRB_accession_number 16536 _BMRB_flat_file_name bmr16536.str _Entry_type original _Submission_date 2009-10-03 _Accession_date 2009-10-03 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'The E1064A variant of the ATP7B N-domain (residues 1032-1196) modified to delete the disordered loop A1115-H1138' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dmitriev Oleg Y. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 665 "13C chemical shifts" 523 "15N chemical shifts" 141 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-03 original author . stop_ _Original_release_date 2012-08-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The structure of the E1064A mutant reveals ATP-dependent conformational changes in the ATP7B N-domain.' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dmitriev Oleg Y. . 2 Lutsenko Svetlana L. . 3 Uhelmann Eva-Maria E. . stop_ _Journal_abbreviation Biochemistry _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Wilson Disease Associated Protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'E1064A mutant' $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'E1064A mutant' _Molecular_mass 14752.269 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 141 _Mol_residue_sequence ; AGHMVPRVMRVLLLGDVATL PLRKVLAVVGTAAASSEHPL GVAVTKYCKEELGTETLGYC TDFQAVPGCGIGCKVSNVEG ILAAVPQTFSVLIGNREWLR RNGLTISSDVSDAMTDHEMK GQTAILVAIDGVLCGMIAIA D ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 GLY 3 HIS 4 MET 5 VAL 6 PRO 7 ARG 8 VAL 9 MET 10 ARG 11 VAL 12 LEU 13 LEU 14 LEU 15 GLY 16 ASP 17 VAL 18 ALA 19 THR 20 LEU 21 PRO 22 LEU 23 ARG 24 LYS 25 VAL 26 LEU 27 ALA 28 VAL 29 VAL 30 GLY 31 THR 32 ALA 33 ALA 34 ALA 35 SER 36 SER 37 GLU 38 HIS 39 PRO 40 LEU 41 GLY 42 VAL 43 ALA 44 VAL 45 THR 46 LYS 47 TYR 48 CYS 49 LYS 50 GLU 51 GLU 52 LEU 53 GLY 54 THR 55 GLU 56 THR 57 LEU 58 GLY 59 TYR 60 CYS 61 THR 62 ASP 63 PHE 64 GLN 65 ALA 66 VAL 67 PRO 68 GLY 69 CYS 70 GLY 71 ILE 72 GLY 73 CYS 74 LYS 75 VAL 76 SER 77 ASN 78 VAL 79 GLU 80 GLY 81 ILE 82 LEU 83 ALA 84 ALA 85 VAL 86 PRO 87 GLN 88 THR 89 PHE 90 SER 91 VAL 92 LEU 93 ILE 94 GLY 95 ASN 96 ARG 97 GLU 98 TRP 99 LEU 100 ARG 101 ARG 102 ASN 103 GLY 104 LEU 105 THR 106 ILE 107 SER 108 SER 109 ASP 110 VAL 111 SER 112 ASP 113 ALA 114 MET 115 THR 116 ASP 117 HIS 118 GLU 119 MET 120 LYS 121 GLY 122 GLN 123 THR 124 ALA 125 ILE 126 LEU 127 VAL 128 ALA 129 ILE 130 ASP 131 GLY 132 VAL 133 LEU 134 CYS 135 GLY 136 MET 137 ILE 138 ALA 139 ILE 140 ALA 141 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2KOY "Structure Of The E1064a Mutant Of The N-Domain Of Wilson Disease Associated Protein" 100.00 141 100.00 100.00 1.86e-96 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity Human 9606 Eukaryota Metazoa Homo sapiens 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 $entity 'recombinant technology' . Escherichia coli BL21(DE3) pTYB12 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' DTT 5 mM 'natural abundance' DSS 0.3 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' $entity 0.8 mM '[13C; 15N]' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_Felix _Saveframe_category software _Name FELIX _Version 2007 loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details Cryoprobe save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 6.0 . pH pressure 1 . atm temperature 300 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HNCA' '3D HN(COCA)CB' '3D HNCACB' '3D C(CO)NH' '3D H(CCO)NH' '3D 1H-15N TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'E1064A mutant' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 ALA HB H 1.52 0.03 1 2 1 1 ALA C C 174.70 0.30 1 3 2 2 GLY H H 8.69 0.03 1 4 2 2 GLY HA2 H 3.95 0.03 2 5 2 2 GLY HA3 H 3.95 0.03 2 6 2 2 GLY C C 174.00 0.30 1 7 2 2 GLY CA C 45.30 0.30 1 8 2 2 GLY N N 108.50 0.20 1 9 3 3 HIS H H 8.59 0.03 1 10 3 3 HIS HA H 4.71 0.03 1 11 3 3 HIS HB2 H 3.23 0.03 2 12 3 3 HIS HB3 H 3.11 0.03 2 13 3 3 HIS C C 174.90 0.30 1 14 3 3 HIS CA C 55.80 0.30 1 15 3 3 HIS CB C 30.00 0.30 1 16 3 3 HIS N N 118.70 0.20 1 17 4 4 MET H H 8.49 0.03 1 18 4 4 MET HA H 4.50 0.03 1 19 4 4 MET HB2 H 2.01 0.03 2 20 4 4 MET HG2 H 2.50 0.03 2 21 4 4 MET C C 176.00 0.30 1 22 4 4 MET CA C 55.80 0.30 1 23 4 4 MET CB C 33.50 0.30 1 24 4 4 MET CG C 32.30 0.30 1 25 4 4 MET N N 122.00 0.20 1 26 5 5 VAL H H 8.15 0.03 1 27 5 5 VAL HA H 4.49 0.03 1 28 5 5 VAL HB H 2.10 0.03 1 29 5 5 VAL HG1 H 0.81 0.03 1 30 5 5 VAL HG2 H 0.94 0.03 1 31 5 5 VAL C C 173.90 0.30 1 32 5 5 VAL CA C 60.10 0.30 1 33 5 5 VAL CB C 33.00 0.30 1 34 5 5 VAL CG2 C 20.40 0.30 2 35 5 5 VAL N N 121.60 0.20 1 36 6 6 PRO HA H 4.75 0.03 1 37 6 6 PRO HB2 H 1.51 0.03 2 38 6 6 PRO HB3 H 2.17 0.03 2 39 6 6 PRO HD2 H 3.69 0.03 2 40 6 6 PRO HD3 H 3.85 0.03 2 41 6 6 PRO HG2 H 1.94 0.03 2 42 6 6 PRO C C 175.50 0.30 1 43 6 6 PRO CA C 63.00 0.30 1 44 6 6 PRO CB C 32.90 0.30 1 45 6 6 PRO CD C 51.20 0.30 1 46 6 6 PRO CG C 28.00 0.30 1 47 7 7 ARG H H 8.47 0.03 1 48 7 7 ARG HA H 4.72 0.03 1 49 7 7 ARG HB2 H 1.70 0.03 2 50 7 7 ARG HD2 H 3.18 0.03 2 51 7 7 ARG HG2 H 1.56 0.03 2 52 7 7 ARG C C 175.50 0.30 1 53 7 7 ARG CA C 54.40 0.30 1 54 7 7 ARG CB C 33.90 0.30 1 55 7 7 ARG CD C 43.90 0.30 1 56 7 7 ARG CG C 26.80 0.30 1 57 7 7 ARG N N 118.10 0.20 1 58 8 8 VAL H H 8.80 0.03 1 59 8 8 VAL HA H 3.60 0.03 1 60 8 8 VAL HB H 1.49 0.03 1 61 8 8 VAL HG1 H 0.53 0.03 1 62 8 8 VAL HG2 H -0.13 0.03 1 63 8 8 VAL C C 175.50 0.30 1 64 8 8 VAL CA C 64.40 0.30 1 65 8 8 VAL CB C 31.90 0.30 1 66 8 8 VAL CG1 C 22.70 0.30 2 67 8 8 VAL CG2 C 20.30 0.30 2 68 8 8 VAL N N 125.10 0.20 1 69 9 9 MET H H 9.07 0.03 1 70 9 9 MET HA H 4.65 0.03 1 71 9 9 MET HB2 H 2.03 0.03 2 72 9 9 MET HB3 H 1.63 0.03 2 73 9 9 MET HG2 H 2.45 0.03 2 74 9 9 MET C C 176.80 0.30 1 75 9 9 MET CA C 55.00 0.30 1 76 9 9 MET CB C 33.50 0.30 1 77 9 9 MET CG C 32.10 0.30 1 78 9 9 MET N N 125.50 0.20 1 79 10 10 ARG H H 7.30 0.03 1 80 10 10 ARG HA H 4.43 0.03 1 81 10 10 ARG HB2 H 1.59 0.03 2 82 10 10 ARG HB3 H 1.87 0.03 2 83 10 10 ARG HD2 H 3.24 0.03 2 84 10 10 ARG HG2 H 1.42 0.03 2 85 10 10 ARG HG3 H 1.87 0.03 2 86 10 10 ARG C C 173.50 0.30 1 87 10 10 ARG CA C 56.10 0.30 1 88 10 10 ARG CB C 34.30 0.30 1 89 10 10 ARG CD C 44.40 0.30 1 90 10 10 ARG CG C 26.70 0.30 1 91 10 10 ARG N N 116.30 0.20 1 92 11 11 VAL H H 8.42 0.03 1 93 11 11 VAL HA H 4.47 0.03 1 94 11 11 VAL HB H 2.00 0.03 1 95 11 11 VAL HG1 H 0.64 0.03 1 96 11 11 VAL HG2 H 0.77 0.03 1 97 11 11 VAL C C 174.20 0.30 1 98 11 11 VAL CA C 62.40 0.30 1 99 11 11 VAL CB C 33.50 0.30 1 100 11 11 VAL CG1 C 20.20 0.30 2 101 11 11 VAL CG2 C 22.30 0.30 2 102 11 11 VAL N N 123.60 0.20 1 103 12 12 LEU H H 9.22 0.03 1 104 12 12 LEU HA H 4.70 0.03 1 105 12 12 LEU HB2 H 1.78 0.03 2 106 12 12 LEU HB3 H 1.27 0.03 2 107 12 12 LEU HD2 H 0.88 0.03 1 108 12 12 LEU HG H 1.42 0.03 1 109 12 12 LEU C C 175.40 0.30 1 110 12 12 LEU CA C 53.60 0.30 1 111 12 12 LEU CB C 45.30 0.30 1 112 12 12 LEU CD1 C 25.80 0.30 2 113 12 12 LEU CD2 C 24.10 0.30 2 114 12 12 LEU CG C 27.50 0.30 1 115 12 12 LEU N N 129.80 0.20 1 116 13 13 LEU H H 8.72 0.03 1 117 13 13 LEU HA H 4.83 0.03 1 118 13 13 LEU HB2 H 1.76 0.03 2 119 13 13 LEU HB3 H 1.74 0.03 2 120 13 13 LEU HD1 H 1.03 0.03 1 121 13 13 LEU HD2 H 0.91 0.03 1 122 13 13 LEU C C 176.90 0.30 1 123 13 13 LEU CA C 54.60 0.30 1 124 13 13 LEU CB C 41.90 0.30 1 125 13 13 LEU CD1 C 25.60 0.30 2 126 13 13 LEU CD2 C 23.50 0.30 2 127 13 13 LEU N N 125.40 0.20 1 128 14 14 LEU H H 7.52 0.03 1 129 14 14 LEU HA H 4.55 0.03 1 130 14 14 LEU HB2 H 1.15 0.03 2 131 14 14 LEU HB3 H 1.46 0.03 2 132 14 14 LEU HD1 H 0.75 0.03 1 133 14 14 LEU HD2 H 0.88 0.03 1 134 14 14 LEU HG H 1.33 0.03 1 135 14 14 LEU C C 176.70 0.30 1 136 14 14 LEU CA C 53.80 0.30 1 137 14 14 LEU CB C 44.50 0.30 1 138 14 14 LEU CD1 C 26.50 0.30 2 139 14 14 LEU CD2 C 23.00 0.30 2 140 14 14 LEU N N 122.10 0.20 1 141 15 15 GLY H H 8.20 0.03 1 142 15 15 GLY HA3 H 3.97 0.03 2 143 15 15 GLY C C 173.70 0.30 1 144 15 15 GLY CA C 45.30 0.30 1 145 15 15 GLY N N 108.00 0.20 1 146 16 16 ASP H H 8.45 0.03 1 147 16 16 ASP HA H 4.61 0.03 1 148 16 16 ASP HB2 H 2.62 0.03 2 149 16 16 ASP HB3 H 2.81 0.03 2 150 16 16 ASP C C 176.60 0.30 1 151 16 16 ASP CA C 54.40 0.30 1 152 16 16 ASP CB C 41.30 0.30 1 153 16 16 ASP N N 120.60 0.20 1 154 17 17 VAL H H 8.30 0.03 1 155 17 17 VAL HA H 4.00 0.03 1 156 17 17 VAL HB H 2.23 0.03 1 157 17 17 VAL HG1 H 0.97 0.03 1 158 17 17 VAL HG2 H 0.99 0.03 1 159 17 17 VAL C C 177.10 0.30 1 160 17 17 VAL CA C 63.00 0.30 1 161 17 17 VAL CB C 32.40 0.30 1 162 17 17 VAL CG1 C 20.40 0.30 2 163 17 17 VAL CG2 C 21.60 0.30 2 164 17 17 VAL N N 121.70 0.20 1 165 18 18 ALA H H 8.45 0.03 1 166 18 18 ALA HA H 4.25 0.03 1 167 18 18 ALA HB H 1.47 0.03 1 168 18 18 ALA C C 179.10 0.30 1 169 18 18 ALA CA C 54.20 0.30 1 170 18 18 ALA CB C 19.40 0.30 1 171 18 18 ALA N N 125.70 0.20 1 172 19 19 THR H H 7.64 0.03 1 173 19 19 THR HA H 4.32 0.03 1 174 19 19 THR HB H 4.37 0.03 1 175 19 19 THR HG2 H 1.24 0.03 1 176 19 19 THR C C 174.60 0.30 1 177 19 19 THR CA C 62.40 0.30 1 178 19 19 THR CB C 69.60 0.30 1 179 19 19 THR CG2 C 22.30 0.30 1 180 19 19 THR N N 108.50 0.20 1 181 20 20 LEU H H 7.90 0.03 1 182 20 20 LEU HA H 4.70 0.03 1 183 20 20 LEU HB2 H 1.55 0.03 2 184 20 20 LEU HB3 H 1.36 0.03 2 185 20 20 LEU HD1 H 0.97 0.03 1 186 20 20 LEU HD2 H 0.86 0.03 1 187 20 20 LEU HG H 1.54 0.03 1 188 20 20 LEU C C 172.40 0.30 1 189 20 20 LEU CA C 52.60 0.30 1 190 20 20 LEU CB C 43.60 0.30 1 191 20 20 LEU CD1 C 21.60 0.30 2 192 20 20 LEU CD2 C 25.60 0.30 2 193 20 20 LEU CG C 26.50 0.30 1 194 20 20 LEU N N 123.40 0.20 1 195 21 21 PRO HA H 4.59 0.03 1 196 21 21 PRO HB2 H 2.12 0.03 2 197 21 21 PRO HB3 H 2.48 0.03 2 198 21 21 PRO HD2 H 3.44 0.03 2 199 21 21 PRO HD3 H 3.60 0.03 2 200 21 21 PRO HG2 H 1.93 0.03 2 201 21 21 PRO C C 177.80 0.30 1 202 21 21 PRO CA C 62.60 0.30 1 203 21 21 PRO CB C 32.70 0.30 1 204 21 21 PRO CD C 50.60 0.30 1 205 21 21 PRO CG C 28.40 0.30 1 206 22 22 LEU H H 8.76 0.03 1 207 22 22 LEU HA H 3.92 0.03 1 208 22 22 LEU HB2 H 1.82 0.03 2 209 22 22 LEU HB3 H 1.67 0.03 2 210 22 22 LEU HD1 H 0.97 0.03 1 211 22 22 LEU HD2 H 1.01 0.03 1 212 22 22 LEU HG H 1.49 0.03 1 213 22 22 LEU C C 178.20 0.30 1 214 22 22 LEU CA C 59.30 0.30 1 215 22 22 LEU CB C 42.00 0.30 1 216 22 22 LEU CD1 C 22.40 0.30 2 217 22 22 LEU CD2 C 25.80 0.30 2 218 22 22 LEU CG C 27.10 0.30 1 219 22 22 LEU N N 122.50 0.20 1 220 23 23 ARG H H 8.86 0.03 1 221 23 23 ARG HA H 3.75 0.03 1 222 23 23 ARG HB2 H 1.72 0.03 2 223 23 23 ARG HB3 H 2.12 0.03 2 224 23 23 ARG HD2 H 3.31 0.03 2 225 23 23 ARG HD3 H 3.14 0.03 2 226 23 23 ARG C C 178.20 0.30 1 227 23 23 ARG CA C 60.90 0.30 1 228 23 23 ARG CB C 30.30 0.30 1 229 23 23 ARG CD C 43.90 0.30 1 230 23 23 ARG N N 114.60 0.20 1 231 24 24 LYS H H 6.87 0.03 1 232 24 24 LYS HA H 3.95 0.03 1 233 24 24 LYS HB2 H 1.86 0.03 2 234 24 24 LYS HB3 H 1.80 0.03 2 235 24 24 LYS HE2 H 2.79 0.03 2 236 24 24 LYS HE3 H 2.90 0.03 2 237 24 24 LYS HG2 H 1.09 0.03 2 238 24 24 LYS C C 177.50 0.30 1 239 24 24 LYS CA C 59.30 0.30 1 240 24 24 LYS CB C 32.90 0.30 1 241 24 24 LYS CD C 30.10 0.30 1 242 24 24 LYS CE C 42.10 0.30 1 243 24 24 LYS CG C 24.90 0.30 1 244 24 24 LYS N N 116.80 0.20 1 245 25 25 VAL H H 7.73 0.03 1 246 25 25 VAL HA H 3.13 0.03 1 247 25 25 VAL HB H 2.14 0.03 1 248 25 25 VAL HG1 H 0.83 0.03 1 249 25 25 VAL HG2 H 0.65 0.03 1 250 25 25 VAL C C 178.20 0.30 1 251 25 25 VAL CA C 68.00 0.30 1 252 25 25 VAL CB C 31.70 0.30 1 253 25 25 VAL CG1 C 23.80 0.30 2 254 25 25 VAL CG2 C 20.20 0.30 2 255 25 25 VAL N N 118.40 0.20 1 256 26 26 LEU H H 8.82 0.03 1 257 26 26 LEU HA H 4.03 0.03 1 258 26 26 LEU HB2 H 1.98 0.03 2 259 26 26 LEU HB3 H 1.18 0.03 2 260 26 26 LEU HD1 H 0.86 0.03 1 261 26 26 LEU HD2 H 0.97 0.03 1 262 26 26 LEU HG H 2.02 0.03 1 263 26 26 LEU C C 179.50 0.30 1 264 26 26 LEU CA C 58.20 0.30 1 265 26 26 LEU CB C 41.80 0.30 1 266 26 26 LEU CD1 C 26.20 0.30 2 267 26 26 LEU CD2 C 22.70 0.30 2 268 26 26 LEU CG C 26.50 0.30 1 269 26 26 LEU N N 115.90 0.20 1 270 27 27 ALA H H 7.97 0.03 1 271 27 27 ALA HA H 3.88 0.03 1 272 27 27 ALA HB H 1.40 0.03 1 273 27 27 ALA C C 180.20 0.30 1 274 27 27 ALA CA C 55.60 0.30 1 275 27 27 ALA CB C 18.80 0.30 1 276 27 27 ALA N N 121.40 0.20 1 277 28 28 VAL H H 8.14 0.03 1 278 28 28 VAL HA H 3.55 0.03 1 279 28 28 VAL HB H 1.91 0.03 1 280 28 28 VAL HG1 H 0.64 0.03 1 281 28 28 VAL HG2 H 0.34 0.03 1 282 28 28 VAL C C 177.40 0.30 1 283 28 28 VAL CA C 67.00 0.30 1 284 28 28 VAL CB C 32.20 0.30 1 285 28 28 VAL CG1 C 21.90 0.30 2 286 28 28 VAL CG2 C 22.80 0.30 2 287 28 28 VAL N N 120.30 0.20 1 288 29 29 VAL H H 8.91 0.03 1 289 29 29 VAL HA H 3.34 0.03 1 290 29 29 VAL HB H 2.11 0.03 1 291 29 29 VAL HG1 H 0.78 0.03 1 292 29 29 VAL HG2 H 0.91 0.03 1 293 29 29 VAL C C 177.60 0.30 1 294 29 29 VAL CA C 66.90 0.30 1 295 29 29 VAL CB C 31.80 0.30 1 296 29 29 VAL CG1 C 21.50 0.30 2 297 29 29 VAL CG2 C 25.70 0.30 2 298 29 29 VAL N N 119.00 0.20 1 299 30 30 GLY H H 8.85 0.03 1 300 30 30 GLY HA2 H 3.60 0.03 2 301 30 30 GLY HA3 H 3.43 0.03 2 302 30 30 GLY C C 174.60 0.30 1 303 30 30 GLY CA C 48.40 0.30 1 304 30 30 GLY N N 107.40 0.20 1 305 31 31 THR H H 7.36 0.03 1 306 31 31 THR HA H 3.80 0.03 1 307 31 31 THR HB H 4.26 0.03 1 308 31 31 THR HG2 H 1.13 0.03 1 309 31 31 THR C C 175.50 0.30 1 310 31 31 THR CA C 67.70 0.30 1 311 31 31 THR CB C 68.80 0.30 1 312 31 31 THR CG2 C 22.40 0.30 1 313 31 31 THR N N 116.00 0.20 1 314 32 32 ALA H H 7.63 0.03 1 315 32 32 ALA HA H 4.29 0.03 1 316 32 32 ALA HB H 1.30 0.03 1 317 32 32 ALA C C 178.50 0.30 1 318 32 32 ALA CA C 55.20 0.30 1 319 32 32 ALA CB C 20.80 0.30 1 320 32 32 ALA N N 123.10 0.20 1 321 33 33 ALA H H 8.59 0.03 1 322 33 33 ALA HA H 3.83 0.03 1 323 33 33 ALA HB H 1.41 0.03 1 324 33 33 ALA C C 179.50 0.30 1 325 33 33 ALA CA C 54.50 0.30 1 326 33 33 ALA CB C 18.90 0.30 1 327 33 33 ALA N N 116.60 0.20 1 328 34 34 ALA H H 7.66 0.03 1 329 34 34 ALA HA H 4.23 0.03 1 330 34 34 ALA HB H 1.53 0.03 1 331 34 34 ALA C C 179.30 0.30 1 332 34 34 ALA CA C 54.50 0.30 1 333 34 34 ALA CB C 18.50 0.30 1 334 34 34 ALA N N 121.10 0.20 1 335 35 35 SER H H 7.36 0.03 1 336 35 35 SER HA H 4.26 0.03 1 337 35 35 SER HB2 H 3.20 0.03 2 338 35 35 SER HB3 H 3.44 0.03 2 339 35 35 SER C C 173.30 0.30 1 340 35 35 SER CA C 59.60 0.30 1 341 35 35 SER CB C 64.30 0.30 1 342 35 35 SER N N 112.10 0.20 1 343 36 36 SER H H 7.58 0.03 1 344 36 36 SER HA H 4.37 0.03 1 345 36 36 SER HB2 H 4.25 0.03 2 346 36 36 SER C C 175.30 0.30 1 347 36 36 SER CA C 57.80 0.30 1 348 36 36 SER CB C 65.20 0.30 1 349 36 36 SER N N 114.50 0.20 1 350 37 37 GLU H H 8.87 0.03 1 351 37 37 GLU HA H 4.38 0.03 1 352 37 37 GLU HB2 H 2.22 0.03 2 353 37 37 GLU HB3 H 1.89 0.03 2 354 37 37 GLU HG2 H 2.24 0.03 2 355 37 37 GLU C C 176.20 0.30 1 356 37 37 GLU CA C 55.80 0.30 1 357 37 37 GLU CB C 30.20 0.30 1 358 37 37 GLU CG C 36.40 0.30 1 359 37 37 GLU N N 125.60 0.20 1 360 38 38 HIS H H 8.42 0.03 1 361 38 38 HIS HA H 4.53 0.03 1 362 38 38 HIS HB2 H 3.22 0.03 2 363 38 38 HIS HB3 H 2.80 0.03 2 364 38 38 HIS C C 175.80 0.30 1 365 38 38 HIS CA C 56.60 0.30 1 366 38 38 HIS N N 125.20 0.20 1 367 39 39 PRO HA H 4.47 0.30 1 368 39 39 PRO HD2 H 3.85 0.03 2 369 39 39 PRO HD3 H 3.58 0.03 2 370 39 39 PRO HG2 H 2.12 0.03 2 371 39 39 PRO HG3 H 1.97 0.03 2 372 39 39 PRO CA C 58.50 0.30 1 373 39 39 PRO CD C 52.10 0.30 1 374 41 41 GLY H H 7.85 0.03 1 375 41 41 GLY HA2 H 3.60 0.03 2 376 41 41 GLY HA3 H 3.83 0.03 2 377 41 41 GLY CA C 47.60 0.30 1 378 41 41 GLY N N 107.50 0.20 1 379 42 42 VAL H H 8.24 0.03 1 380 42 42 VAL HA H 3.77 0.03 1 381 42 42 VAL HB H 2.09 0.03 1 382 42 42 VAL HG1 H 1.00 0.03 1 383 42 42 VAL HG2 H 0.95 0.03 1 384 42 42 VAL C C 178.90 0.30 1 385 42 42 VAL CA C 66.30 0.30 1 386 42 42 VAL CB C 32.30 0.30 1 387 42 42 VAL CG1 C 21.20 0.30 2 388 42 42 VAL CG2 C 21.90 0.30 2 389 42 42 VAL N N 125.70 0.20 1 390 43 43 ALA H H 7.76 0.03 1 391 43 43 ALA HA H 4.21 0.03 1 392 43 43 ALA HB H 1.38 0.03 1 393 43 43 ALA C C 181.50 0.30 1 394 43 43 ALA CA C 55.30 0.30 1 395 43 43 ALA CB C 18.90 0.30 1 396 43 43 ALA N N 121.20 0.20 1 397 44 44 VAL H H 8.11 0.03 1 398 44 44 VAL HA H 3.54 0.03 1 399 44 44 VAL HB H 2.07 0.03 1 400 44 44 VAL HG1 H 0.87 0.03 1 401 44 44 VAL HG2 H 0.67 0.03 1 402 44 44 VAL C C 177.60 0.30 1 403 44 44 VAL CA C 67.30 0.30 1 404 44 44 VAL CB C 32.30 0.30 1 405 44 44 VAL CG1 C 23.80 0.30 2 406 44 44 VAL N N 119.50 0.20 1 407 45 45 THR H H 8.56 0.03 1 408 45 45 THR HA H 3.57 0.03 1 409 45 45 THR HB H 4.22 0.03 1 410 45 45 THR HG2 H 1.18 0.03 1 411 45 45 THR CA C 69.70 0.30 1 412 45 45 THR CB C 68.10 0.30 1 413 45 45 THR CG2 C 21.60 0.30 1 414 45 45 THR N N 119.70 0.20 1 415 46 46 LYS H H 8.03 0.03 1 416 46 46 LYS HA H 3.93 0.03 1 417 46 46 LYS HB2 H 1.91 0.03 2 418 46 46 LYS HG2 H 1.40 0.03 2 419 46 46 LYS HG3 H 1.55 0.03 2 420 46 46 LYS C C 178.40 0.30 1 421 46 46 LYS CA C 60.40 0.30 1 422 46 46 LYS CB C 33.30 0.30 1 423 46 46 LYS CD C 30.00 0.30 1 424 46 46 LYS CE C 42.30 0.30 1 425 46 46 LYS CG C 25.10 0.30 1 426 46 46 LYS N N 120.60 0.20 1 427 47 47 TYR H H 7.69 0.03 1 428 47 47 TYR HA H 4.30 0.03 1 429 47 47 TYR HB2 H 3.17 0.03 2 430 47 47 TYR HD1 H 7.07 0.03 3 431 47 47 TYR C C 177.40 0.30 1 432 47 47 TYR CA C 61.70 0.30 1 433 47 47 TYR CB C 39.40 0.30 1 434 47 47 TYR N N 118.50 0.20 1 435 48 48 CYS H H 8.46 0.03 1 436 48 48 CYS HA H 3.83 0.03 1 437 48 48 CYS HB2 H 2.56 0.03 2 438 48 48 CYS HB3 H 3.07 0.03 2 439 48 48 CYS C C 176.90 0.30 1 440 48 48 CYS CA C 65.50 0.30 1 441 48 48 CYS CB C 27.40 0.30 1 442 48 48 CYS N N 116.50 0.20 1 443 49 49 LYS H H 8.26 0.03 1 444 49 49 LYS HA H 3.91 0.03 1 445 49 49 LYS HB2 H 1.98 0.03 2 446 49 49 LYS HB3 H 1.84 0.03 2 447 49 49 LYS HD2 H 1.65 0.30 2 448 49 49 LYS HE2 H 3.19 0.03 2 449 49 49 LYS HG2 H 1.21 0.03 2 450 49 49 LYS C C 179.80 0.30 1 451 49 49 LYS CA C 61.30 0.30 1 452 49 49 LYS CB C 33.50 0.30 1 453 49 49 LYS CD C 30.30 0.30 1 454 49 49 LYS CG C 27.10 0.30 1 455 49 49 LYS N N 117.50 0.20 1 456 50 50 GLU H H 8.06 0.03 1 457 50 50 GLU HA H 3.93 0.03 1 458 50 50 GLU HB2 H 1.95 0.03 2 459 50 50 GLU HG2 H 2.44 0.03 2 460 50 50 GLU HG3 H 2.15 0.03 2 461 50 50 GLU C C 180.00 0.30 1 462 50 50 GLU CA C 59.50 0.30 1 463 50 50 GLU CB C 29.20 0.30 1 464 50 50 GLU CG C 36.80 0.30 1 465 50 50 GLU N N 119.40 0.20 1 466 51 51 GLU H H 8.32 0.03 1 467 51 51 GLU HA H 3.79 0.03 1 468 51 51 GLU HB2 H 1.58 0.03 2 469 51 51 GLU HB3 H 1.77 0.03 2 470 51 51 GLU HG2 H 1.58 0.03 2 471 51 51 GLU C C 179.60 0.30 1 472 51 51 GLU CA C 58.50 0.30 1 473 51 51 GLU CB C 30.70 0.30 1 474 51 51 GLU CG C 35.80 0.30 1 475 51 51 GLU N N 118.60 0.20 1 476 52 52 LEU H H 8.07 0.03 1 477 52 52 LEU HA H 4.16 0.03 1 478 52 52 LEU HB2 H 1.90 0.03 2 479 52 52 LEU HB3 H 1.31 0.03 2 480 52 52 LEU HD1 H 0.92 0.03 1 481 52 52 LEU HD2 H 0.59 0.03 1 482 52 52 LEU HG H 1.75 0.03 1 483 52 52 LEU C C 178.60 0.30 1 484 52 52 LEU CA C 55.70 0.30 1 485 52 52 LEU CB C 44.10 0.30 1 486 52 52 LEU CD1 C 23.20 0.30 2 487 52 52 LEU CD2 C 25.40 0.30 2 488 52 52 LEU CG C 27.50 0.30 1 489 52 52 LEU N N 116.50 0.20 1 490 53 53 GLY H H 7.86 0.03 1 491 53 53 GLY HA2 H 3.94 0.03 2 492 53 53 GLY HA3 H 3.82 0.03 2 493 53 53 GLY C C 174.20 0.30 1 494 53 53 GLY CA C 46.60 0.30 1 495 53 53 GLY N N 108.80 0.20 1 496 54 54 THR H H 7.62 0.03 1 497 54 54 THR HA H 4.73 0.03 1 498 54 54 THR HB H 3.98 0.03 1 499 54 54 THR HG2 H 1.00 0.03 1 500 54 54 THR C C 171.70 0.30 1 501 54 54 THR CA C 59.30 0.30 1 502 54 54 THR CB C 70.30 0.30 1 503 54 54 THR CG2 C 19.80 0.30 1 504 54 54 THR N N 112.20 0.20 1 505 55 55 GLU H H 8.26 0.03 1 506 55 55 GLU HA H 4.35 0.03 1 507 55 55 GLU HB2 H 1.88 0.03 2 508 55 55 GLU HB3 H 2.21 0.03 2 509 55 55 GLU HG2 H 2.31 0.03 2 510 55 55 GLU C C 176.70 0.30 1 511 55 55 GLU CA C 56.40 0.30 1 512 55 55 GLU CB C 31.20 0.30 1 513 55 55 GLU CG C 36.50 0.30 1 514 55 55 GLU N N 121.70 0.20 1 515 56 56 THR H H 8.11 0.03 1 516 56 56 THR HA H 4.35 0.03 1 517 56 56 THR HB H 4.03 0.03 1 518 56 56 THR HG2 H 1.25 0.03 1 519 56 56 THR C C 173.60 0.30 1 520 56 56 THR CA C 61.90 0.30 1 521 56 56 THR CB C 70.40 0.30 1 522 56 56 THR CG2 C 21.80 0.30 1 523 56 56 THR N N 116.10 0.20 1 524 57 57 LEU H H 8.40 0.03 1 525 57 57 LEU HA H 4.56 0.03 1 526 57 57 LEU HB2 H 1.78 0.03 2 527 57 57 LEU HB3 H 1.66 0.03 2 528 57 57 LEU HD1 H 0.71 0.03 1 529 57 57 LEU HD2 H 0.88 0.03 1 530 57 57 LEU HG H 1.36 0.03 1 531 57 57 LEU C C 176.60 0.30 1 532 57 57 LEU CA C 53.20 0.30 1 533 57 57 LEU CB C 42.40 0.30 1 534 57 57 LEU CD1 C 23.00 0.30 2 535 57 57 LEU CD2 C 26.40 0.30 2 536 57 57 LEU CG C 27.00 0.30 1 537 57 57 LEU N N 126.30 0.20 1 538 58 58 GLY H H 7.78 0.03 1 539 58 58 GLY HA2 H 3.62 0.03 2 540 58 58 GLY HA3 H 4.46 0.03 2 541 58 58 GLY C C 173.00 0.30 1 542 58 58 GLY CA C 45.50 0.30 1 543 58 58 GLY N N 106.80 0.20 1 544 59 59 TYR H H 8.60 0.03 1 545 59 59 TYR HA H 5.07 0.03 1 546 59 59 TYR HB2 H 2.93 0.03 2 547 59 59 TYR HB3 H 2.99 0.03 2 548 59 59 TYR HD1 H 7.06 0.03 3 549 59 59 TYR HE1 H 7.35 0.03 3 550 59 59 TYR C C 174.40 0.30 1 551 59 59 TYR CA C 55.70 0.30 1 552 59 59 TYR CB C 41.10 0.30 1 553 59 59 TYR N N 120.30 0.20 1 554 60 60 CYS H H 8.66 0.03 1 555 60 60 CYS HA H 5.55 0.03 1 556 60 60 CYS HB2 H 2.78 0.03 2 557 60 60 CYS HB3 H 2.83 0.03 2 558 60 60 CYS C C 174.40 0.30 1 559 60 60 CYS CA C 56.80 0.30 1 560 60 60 CYS CB C 30.40 0.30 1 561 60 60 CYS N N 124.60 0.20 1 562 61 61 THR H H 9.11 0.03 1 563 61 61 THR HA H 4.71 0.03 1 564 61 61 THR HG2 H 1.11 0.03 1 565 61 61 THR C C 173.10 0.30 1 566 61 61 THR CA C 60.40 0.30 1 567 61 61 THR CB C 72.20 0.30 1 568 61 61 THR CG2 C 21.80 0.30 1 569 61 61 THR N N 117.60 0.20 1 570 62 62 ASP H H 8.89 0.03 1 571 62 62 ASP HA H 4.30 0.03 1 572 62 62 ASP HB2 H 2.92 0.03 2 573 62 62 ASP HB3 H 2.64 0.03 2 574 62 62 ASP C C 175.20 0.30 1 575 62 62 ASP CA C 55.30 0.30 1 576 62 62 ASP CB C 39.70 0.30 1 577 62 62 ASP N N 118.50 0.20 1 578 63 63 PHE H H 8.36 0.03 1 579 63 63 PHE HA H 4.57 0.03 1 580 63 63 PHE HB2 H 2.85 0.03 2 581 63 63 PHE HB3 H 3.10 0.03 2 582 63 63 PHE HD1 H 7.07 0.03 3 583 63 63 PHE HE1 H 7.32 0.03 3 584 63 63 PHE C C 176.10 0.30 1 585 63 63 PHE CA C 60.20 0.30 1 586 63 63 PHE CB C 40.60 0.30 1 587 63 63 PHE N N 118.50 0.20 1 588 64 64 GLN H H 8.86 0.03 1 589 64 64 GLN HA H 4.55 0.03 1 590 64 64 GLN HB2 H 1.90 0.03 2 591 64 64 GLN HB3 H 2.01 0.03 2 592 64 64 GLN HE21 H 6.80 0.03 2 593 64 64 GLN HE22 H 7.47 0.03 2 594 64 64 GLN HG2 H 2.23 0.03 2 595 64 64 GLN C C 172.80 0.30 1 596 64 64 GLN CA C 55.00 0.30 1 597 64 64 GLN CB C 32.20 0.30 1 598 64 64 GLN CG C 33.60 0.30 1 599 64 64 GLN N N 129.30 0.20 1 600 64 64 GLN NE2 N 111.20 0.03 1 601 65 65 ALA H H 8.55 0.03 1 602 65 65 ALA HA H 4.70 0.03 1 603 65 65 ALA HB H 1.33 0.03 1 604 65 65 ALA C C 176.80 0.30 1 605 65 65 ALA CA C 50.90 0.30 1 606 65 65 ALA CB C 22.40 0.30 1 607 65 65 ALA N N 125.00 0.20 1 608 66 66 VAL H H 8.40 0.03 1 609 66 66 VAL HA H 4.33 0.03 1 610 66 66 VAL HG1 H 1.14 0.03 1 611 66 66 VAL HG2 H 0.79 0.03 1 612 66 66 VAL CA C 59.60 0.30 1 613 66 66 VAL CB C 33.60 0.30 1 614 66 66 VAL CG1 C 21.50 0.30 2 615 66 66 VAL N N 124.00 0.20 1 616 67 67 PRO HA H 4.28 0.03 1 617 67 67 PRO HD3 H 3.64 0.03 2 618 67 67 PRO HG2 H 1.97 0.03 2 619 67 67 PRO CA C 63.90 0.30 1 620 68 68 GLY H H 8.53 0.03 1 621 68 68 GLY HA2 H 4.16 0.03 2 622 68 68 GLY HA3 H 3.98 0.03 2 623 68 68 GLY C C 174.50 0.30 1 624 68 68 GLY CA C 45.90 0.30 1 625 68 68 GLY N N 113.30 0.20 1 626 69 69 CYS H H 7.94 0.03 1 627 69 69 CYS HA H 4.71 0.03 1 628 69 69 CYS HB2 H 2.41 0.03 2 629 69 69 CYS HB3 H 2.62 0.03 2 630 69 69 CYS CB C 30.50 0.30 1 631 69 69 CYS N N 118.10 0.20 1 632 70 70 GLY H H 7.28 0.03 1 633 70 70 GLY HA2 H 3.36 0.03 2 634 70 70 GLY HA3 H 3.55 0.03 2 635 70 70 GLY C C 170.50 0.30 1 636 70 70 GLY CA C 44.10 0.30 1 637 70 70 GLY N N 104.70 0.20 1 638 71 71 ILE H H 8.76 0.03 1 639 71 71 ILE HA H 5.09 0.03 1 640 71 71 ILE HB H 1.34 0.03 1 641 71 71 ILE HD1 H 0.55 0.03 1 642 71 71 ILE HG12 H 1.14 0.03 2 643 71 71 ILE HG2 H 0.77 0.03 1 644 71 71 ILE CA C 58.60 0.30 1 645 71 71 ILE CB C 43.70 0.30 1 646 71 71 ILE CG1 C 26.60 0.30 1 647 71 71 ILE N N 111.20 0.20 1 648 72 72 GLY H H 8.91 0.03 1 649 72 72 GLY HA2 H 4.12 0.03 2 650 72 72 GLY HA3 H 5.51 0.03 2 651 72 72 GLY C C 171.70 0.30 1 652 72 72 GLY CA C 45.30 0.30 1 653 72 72 GLY N N 114.00 0.20 1 654 73 73 CYS H H 8.66 0.03 1 655 73 73 CYS HA H 5.12 0.03 1 656 73 73 CYS HB2 H 3.25 0.03 2 657 73 73 CYS HB3 H 3.54 0.03 2 658 73 73 CYS C C 172.40 0.30 1 659 73 73 CYS CA C 57.10 0.30 1 660 73 73 CYS CB C 30.80 0.30 1 661 73 73 CYS N N 113.30 0.20 1 662 74 74 LYS H H 8.83 0.03 1 663 74 74 LYS HA H 5.63 0.03 1 664 74 74 LYS HB2 H 1.84 0.03 2 665 74 74 LYS HB3 H 1.55 0.03 2 666 74 74 LYS HD2 H 1.69 0.03 2 667 74 74 LYS HE2 H 2.92 0.03 2 668 74 74 LYS HG2 H 1.37 0.03 2 669 74 74 LYS HG3 H 1.55 0.03 2 670 74 74 LYS C C 176.80 0.30 1 671 74 74 LYS CA C 55.30 0.30 1 672 74 74 LYS CB C 34.80 0.30 1 673 74 74 LYS CD C 29.60 0.30 1 674 74 74 LYS CE C 42.60 0.30 1 675 74 74 LYS CG C 25.70 0.30 1 676 74 74 LYS N N 118.10 0.20 1 677 75 75 VAL H H 9.35 0.03 1 678 75 75 VAL HA H 5.21 0.03 1 679 75 75 VAL HB H 1.97 0.03 1 680 75 75 VAL HG1 H 1.14 0.03 1 681 75 75 VAL HG2 H 1.18 0.03 1 682 75 75 VAL C C 174.60 0.30 1 683 75 75 VAL CA C 60.80 0.30 1 684 75 75 VAL CB C 36.10 0.30 1 685 75 75 VAL CG1 C 22.30 0.30 2 686 75 75 VAL N N 120.40 0.20 1 687 76 76 SER H H 9.04 0.03 1 688 76 76 SER HA H 5.40 0.03 1 689 76 76 SER HB2 H 3.72 0.03 2 690 76 76 SER HB3 H 3.92 0.03 2 691 76 76 SER C C 173.70 0.30 1 692 76 76 SER CA C 57.00 0.30 1 693 76 76 SER CB C 66.70 0.30 1 694 76 76 SER N N 119.90 0.20 1 695 77 77 ASN H H 9.32 0.03 1 696 77 77 ASN HA H 4.94 0.03 1 697 77 77 ASN HB2 H 3.15 0.03 2 698 77 77 ASN HB3 H 2.63 0.03 2 699 77 77 ASN HD21 H 6.80 0.03 2 700 77 77 ASN HD22 H 7.35 0.03 2 701 77 77 ASN C C 176.20 0.30 1 702 77 77 ASN CA C 54.70 0.30 1 703 77 77 ASN CB C 38.10 0.30 1 704 77 77 ASN N N 118.40 0.20 1 705 77 77 ASN ND2 N 111.60 0.03 1 706 78 78 VAL H H 8.30 0.03 1 707 78 78 VAL HA H 4.33 0.03 1 708 78 78 VAL HB H 2.31 0.03 1 709 78 78 VAL HG1 H 0.85 0.03 1 710 78 78 VAL HG2 H 0.72 0.03 1 711 78 78 VAL C C 177.20 0.30 1 712 78 78 VAL CA C 61.90 0.30 1 713 78 78 VAL CB C 32.30 0.30 1 714 78 78 VAL CG1 C 19.70 0.30 2 715 78 78 VAL N N 108.10 0.20 1 716 79 79 GLU H H 9.21 0.03 1 717 79 79 GLU HA H 4.17 0.03 1 718 79 79 GLU HB2 H 2.06 0.03 2 719 79 79 GLU HB3 H 1.93 0.03 2 720 79 79 GLU HG2 H 2.29 0.03 2 721 79 79 GLU HG3 H 2.23 0.03 2 722 79 79 GLU C C 179.40 0.30 1 723 79 79 GLU CA C 61.10 0.30 1 724 79 79 GLU CB C 28.80 0.30 1 725 79 79 GLU N N 121.60 0.20 1 726 80 80 GLY H H 8.42 0.03 1 727 80 80 GLY HA2 H 3.90 0.03 2 728 80 80 GLY HA3 H 3.90 0.03 2 729 80 80 GLY C C 175.90 0.30 1 730 80 80 GLY CA C 46.20 0.30 1 731 80 80 GLY N N 110.20 0.20 1 732 81 81 ILE H H 7.54 0.03 1 733 81 81 ILE HA H 4.03 0.03 1 734 81 81 ILE HB H 1.85 0.03 1 735 81 81 ILE HD1 H 0.76 0.03 1 736 81 81 ILE HG12 H 1.10 0.03 2 737 81 81 ILE HG13 H 1.57 0.03 2 738 81 81 ILE HG2 H 0.89 0.03 1 739 81 81 ILE C C 178.00 0.30 1 740 81 81 ILE CA C 62.80 0.30 1 741 81 81 ILE CB C 39.60 0.30 1 742 81 81 ILE CG1 C 27.80 0.30 1 743 81 81 ILE N N 120.30 0.20 1 744 82 82 LEU H H 7.74 0.03 1 745 82 82 LEU HA H 4.28 0.03 1 746 82 82 LEU HB2 H 1.60 0.03 2 747 82 82 LEU HB3 H 1.85 0.03 2 748 82 82 LEU HD1 H 0.74 0.03 1 749 82 82 LEU HD2 H 0.87 0.03 1 750 82 82 LEU HG H 1.72 0.03 1 751 82 82 LEU C C 177.90 0.30 1 752 82 82 LEU CA C 55.00 0.30 1 753 82 82 LEU CB C 41.90 0.30 1 754 82 82 LEU CD1 C 22.40 0.30 2 755 82 82 LEU CD2 C 25.40 0.30 2 756 82 82 LEU CG C 26.70 0.30 1 757 82 82 LEU N N 119.70 0.20 1 758 83 83 ALA H H 7.91 0.03 1 759 83 83 ALA HA H 4.18 0.03 1 760 83 83 ALA HB H 1.39 0.03 1 761 83 83 ALA C C 176.60 0.30 1 762 83 83 ALA CA C 52.90 0.30 1 763 83 83 ALA CB C 18.00 0.30 1 764 83 83 ALA N N 124.20 0.20 1 765 84 84 ALA H H 8.00 0.03 1 766 84 84 ALA HA H 4.63 0.03 1 767 84 84 ALA HB H 1.42 0.03 1 768 84 84 ALA C C 177.30 0.30 1 769 84 84 ALA CA C 51.80 0.30 1 770 84 84 ALA CB C 22.10 0.30 1 771 84 84 ALA N N 121.90 0.20 1 772 85 85 VAL H H 7.61 0.03 1 773 85 85 VAL HA H 4.55 0.03 1 774 85 85 VAL HB H 2.19 0.03 1 775 85 85 VAL HG1 H 1.02 0.03 1 776 85 85 VAL HG2 H 0.91 0.03 1 777 85 85 VAL C C 174.60 0.30 1 778 85 85 VAL CA C 60.10 0.30 1 779 85 85 VAL CB C 33.00 0.30 1 780 85 85 VAL CG2 C 19.70 0.30 2 781 85 85 VAL N N 115.90 0.20 1 782 86 86 PRO HA H 4.32 0.03 1 783 86 86 PRO HB2 H 2.28 0.03 2 784 86 86 PRO HB3 H 1.93 0.03 2 785 86 86 PRO HD2 H 3.67 0.03 2 786 86 86 PRO HD3 H 3.84 0.03 2 787 86 86 PRO HG2 H 2.06 0.03 2 788 86 86 PRO HG3 H 2.27 0.03 2 789 86 86 PRO C C 176.10 0.30 1 790 86 86 PRO CA C 64.50 0.30 1 791 86 86 PRO CB C 32.30 0.30 1 792 86 86 PRO CD C 51.40 0.30 1 793 86 86 PRO CG C 27.70 0.30 1 794 87 87 GLN H H 7.91 0.03 1 795 87 87 GLN HA H 4.22 0.03 1 796 87 87 GLN HB3 H 1.91 0.03 2 797 87 87 GLN HE21 H 6.79 0.03 2 798 87 87 GLN HE22 H 7.87 0.03 2 799 87 87 GLN HG2 H 2.01 0.03 2 800 87 87 GLN HG3 H 1.48 0.03 2 801 87 87 GLN C C 174.20 0.30 1 802 87 87 GLN CA C 56.30 0.30 1 803 87 87 GLN CB C 31.30 0.30 1 804 87 87 GLN CG C 33.20 0.30 1 805 87 87 GLN N N 123.00 0.20 1 806 87 87 GLN NE2 N 112.80 0.20 1 807 88 88 THR H H 8.38 0.03 1 808 88 88 THR HA H 5.08 0.03 1 809 88 88 THR HB H 3.79 0.03 1 810 88 88 THR HG2 H 1.12 0.03 1 811 88 88 THR C C 174.00 0.30 1 812 88 88 THR CA C 61.30 0.30 1 813 88 88 THR CB C 70.60 0.30 1 814 88 88 THR CG2 C 22.10 0.30 1 815 88 88 THR N N 121.10 0.20 1 816 89 89 PHE H H 9.74 0.03 1 817 89 89 PHE HA H 5.17 0.03 1 818 89 89 PHE HB2 H 2.94 0.03 2 819 89 89 PHE HB3 H 2.64 0.03 2 820 89 89 PHE HD1 H 7.22 0.03 3 821 89 89 PHE HE1 H 7.11 0.03 3 822 89 89 PHE C C 176.10 0.30 1 823 89 89 PHE CA C 56.70 0.30 1 824 89 89 PHE CB C 42.70 0.30 1 825 89 89 PHE N N 126.70 0.20 1 826 90 90 SER H H 9.49 0.03 1 827 90 90 SER HA H 5.08 0.03 1 828 90 90 SER HB2 H 3.97 0.03 2 829 90 90 SER C C 174.60 0.30 1 830 90 90 SER CA C 58.50 0.30 1 831 90 90 SER CB C 63.90 0.30 1 832 90 90 SER N N 119.70 0.20 1 833 91 91 VAL H H 9.31 0.03 1 834 91 91 VAL HA H 5.01 0.03 1 835 91 91 VAL HB H 2.12 0.03 1 836 91 91 VAL HG1 H 0.80 0.03 1 837 91 91 VAL HG2 H 0.64 0.03 1 838 91 91 VAL C C 175.00 0.30 1 839 91 91 VAL CA C 61.50 0.30 1 840 91 91 VAL CB C 35.40 0.30 1 841 91 91 VAL CG1 C 21.50 0.30 2 842 91 91 VAL CG2 C 23.10 0.30 2 843 91 91 VAL N N 127.10 0.20 1 844 92 92 LEU H H 8.86 0.03 1 845 92 92 LEU HA H 5.45 0.03 1 846 92 92 LEU HB2 H 1.68 0.03 2 847 92 92 LEU HB3 H 1.14 0.03 2 848 92 92 LEU HD1 H 0.53 0.03 1 849 92 92 LEU HD2 H 0.79 0.03 1 850 92 92 LEU C C 176.10 0.30 1 851 92 92 LEU CA C 54.00 0.30 1 852 92 92 LEU CB C 47.20 0.30 1 853 92 92 LEU CD2 C 22.70 0.30 2 854 92 92 LEU N N 127.20 0.20 1 855 93 93 ILE H H 8.52 0.03 1 856 93 93 ILE HA H 5.58 0.03 1 857 93 93 ILE HB H 1.59 0.03 1 858 93 93 ILE HD1 H 1.12 0.03 1 859 93 93 ILE HG2 H 0.99 0.03 1 860 93 93 ILE C C 175.50 0.30 1 861 93 93 ILE CA C 59.50 0.30 1 862 93 93 ILE CB C 42.40 0.30 1 863 93 93 ILE CG1 C 27.50 0.30 1 864 93 93 ILE CG2 C 18.80 0.30 1 865 93 93 ILE N N 119.10 0.20 1 866 94 94 GLY H H 9.04 0.03 1 867 94 94 GLY HA2 H 4.88 0.03 2 868 94 94 GLY HA3 H 3.97 0.03 2 869 94 94 GLY C C 171.00 0.30 1 870 94 94 GLY CA C 47.20 0.30 1 871 94 94 GLY N N 111.80 0.20 1 872 95 95 ASN H H 8.04 0.03 1 873 95 95 ASN HA H 4.91 0.03 1 874 95 95 ASN HB2 H 3.03 0.03 2 875 95 95 ASN HB3 H 3.79 0.03 2 876 95 95 ASN HD21 H 7.00 0.03 2 877 95 95 ASN HD22 H 7.60 0.03 2 878 95 95 ASN C C 175.00 0.30 1 879 95 95 ASN CA C 51.40 0.30 1 880 95 95 ASN CB C 39.30 0.30 1 881 95 95 ASN N N 119.00 0.20 1 882 95 95 ASN ND2 N 110.00 0.03 1 883 96 96 ARG H H 8.57 0.03 1 884 96 96 ARG HA H 3.78 0.03 1 885 96 96 ARG HB2 H 1.78 0.03 2 886 96 96 ARG HB3 H 1.48 0.03 2 887 96 96 ARG HD2 H 3.03 0.03 2 888 96 96 ARG HD3 H 3.19 0.03 2 889 96 96 ARG HG2 H 1.90 0.03 2 890 96 96 ARG C C 178.50 0.30 1 891 96 96 ARG CA C 60.80 0.30 1 892 96 96 ARG CB C 31.20 0.30 1 893 96 96 ARG CD C 44.30 0.30 1 894 96 96 ARG CG C 28.60 0.30 1 895 96 96 ARG N N 115.40 0.20 1 896 97 97 GLU H H 8.15 0.03 1 897 97 97 GLU HA H 4.11 0.03 1 898 97 97 GLU HB2 H 2.03 0.03 2 899 97 97 GLU HB3 H 2.19 0.03 2 900 97 97 GLU HG2 H 2.45 0.03 2 901 97 97 GLU HG3 H 2.28 0.03 2 902 97 97 GLU C C 178.50 0.30 1 903 97 97 GLU CA C 59.20 0.30 1 904 97 97 GLU CB C 28.90 0.30 1 905 97 97 GLU CG C 36.20 0.30 1 906 97 97 GLU N N 118.80 0.20 1 907 98 98 TRP H H 8.68 0.03 1 908 98 98 TRP HA H 4.70 0.03 1 909 98 98 TRP HB2 H 3.36 0.03 2 910 98 98 TRP HD1 H 6.52 0.03 1 911 98 98 TRP HE1 H 9.18 0.03 1 912 98 98 TRP HH2 H 6.93 0.03 1 913 98 98 TRP HZ2 H 7.50 0.03 1 914 98 98 TRP C C 178.90 0.30 1 915 98 98 TRP CA C 58.30 0.30 1 916 98 98 TRP CB C 31.50 0.30 1 917 98 98 TRP N N 121.10 0.20 1 918 98 98 TRP NE1 N 127.80 0.20 1 919 99 99 LEU H H 7.76 0.03 1 920 99 99 LEU HA H 3.57 0.03 1 921 99 99 LEU HB2 H 1.69 0.03 2 922 99 99 LEU HB3 H 1.51 0.03 2 923 99 99 LEU HD1 H 0.76 0.03 1 924 99 99 LEU HD2 H 0.68 0.03 1 925 99 99 LEU HG H 1.64 0.03 1 926 99 99 LEU C C 179.30 0.30 1 927 99 99 LEU CA C 58.50 0.30 1 928 99 99 LEU CB C 39.00 0.30 1 929 99 99 LEU CD1 C 25.00 0.30 2 930 99 99 LEU CD2 C 23.20 0.30 2 931 99 99 LEU CG C 30.10 0.30 1 932 99 99 LEU N N 121.30 0.20 1 933 100 100 ARG H H 8.30 0.03 1 934 100 100 ARG HA H 4.27 0.03 1 935 100 100 ARG HB2 H 1.98 0.03 2 936 100 100 ARG HD2 H 3.24 0.03 2 937 100 100 ARG HD3 H 3.13 0.03 2 938 100 100 ARG HG2 H 1.56 0.03 2 939 100 100 ARG HG3 H 1.80 0.03 2 940 100 100 ARG C C 181.70 0.30 1 941 100 100 ARG CA C 59.80 0.30 1 942 100 100 ARG CB C 30.20 0.30 1 943 100 100 ARG CD C 43.40 0.30 1 944 100 100 ARG CG C 27.30 0.30 1 945 100 100 ARG N N 120.90 0.20 1 946 101 101 ARG H H 8.76 0.03 1 947 101 101 ARG HA H 4.01 0.03 1 948 101 101 ARG HB3 H 1.96 0.03 2 949 101 101 ARG HD2 H 3.00 0.03 2 950 101 101 ARG HG2 H 1.84 0.03 2 951 101 101 ARG C C 177.30 0.30 1 952 101 101 ARG CA C 59.00 0.30 1 953 101 101 ARG CB C 30.40 0.30 1 954 101 101 ARG CD C 44.50 0.30 1 955 101 101 ARG CG C 27.10 0.30 1 956 101 101 ARG N N 121.20 0.20 1 957 102 102 ASN H H 6.93 0.03 1 958 102 102 ASN HA H 4.40 0.03 1 959 102 102 ASN HB2 H 2.56 0.03 2 960 102 102 ASN HB3 H 1.95 0.03 2 961 102 102 ASN HD21 H 6.37 0.03 2 962 102 102 ASN C C 173.80 0.30 1 963 102 102 ASN CA C 54.00 0.30 1 964 102 102 ASN CB C 41.30 0.30 1 965 102 102 ASN N N 115.10 0.20 1 966 102 102 ASN ND2 N 111.20 0.30 1 967 103 103 GLY H H 7.70 0.03 1 968 103 103 GLY HA2 H 4.11 0.03 2 969 103 103 GLY HA3 H 3.68 0.03 2 970 103 103 GLY C C 174.40 0.30 1 971 103 103 GLY CA C 46.00 0.30 1 972 103 103 GLY N N 105.90 0.20 1 973 104 104 LEU H H 7.81 0.03 1 974 104 104 LEU HA H 4.58 0.03 1 975 104 104 LEU HB2 H 1.31 0.03 2 976 104 104 LEU HB3 H 1.31 0.03 2 977 104 104 LEU HD1 H 0.62 0.03 1 978 104 104 LEU HD2 H 0.76 0.03 1 979 104 104 LEU HG H 1.47 0.03 1 980 104 104 LEU C C 176.20 0.30 1 981 104 104 LEU CA C 55.00 0.30 1 982 104 104 LEU CB C 42.50 0.30 1 983 104 104 LEU CD1 C 25.30 0.30 2 984 104 104 LEU CD2 C 23.70 0.30 2 985 104 104 LEU CG C 29.00 0.30 1 986 104 104 LEU N N 122.60 0.20 1 987 105 105 THR H H 8.18 0.03 1 988 105 105 THR HA H 4.23 0.03 1 989 105 105 THR HB H 4.01 0.03 1 990 105 105 THR HG2 H 1.11 0.03 1 991 105 105 THR C C 173.90 0.30 1 992 105 105 THR CA C 62.00 0.30 1 993 105 105 THR CB C 70.20 0.30 1 994 105 105 THR CG2 C 21.30 0.30 1 995 105 105 THR N N 115.90 0.20 1 996 106 106 ILE H H 8.46 0.03 1 997 106 106 ILE HA H 4.18 0.03 1 998 106 106 ILE HB H 1.84 0.03 1 999 106 106 ILE HD1 H 0.99 0.03 1 1000 106 106 ILE HG12 H 1.34 0.03 2 1001 106 106 ILE HG13 H 1.11 0.03 2 1002 106 106 ILE HG2 H 0.86 0.03 1 1003 106 106 ILE C C 175.90 0.30 1 1004 106 106 ILE CA C 60.00 0.30 1 1005 106 106 ILE CB C 38.50 0.30 1 1006 106 106 ILE CD1 C 13.60 0.30 1 1007 106 106 ILE CG1 C 27.10 0.30 1 1008 106 106 ILE CG2 C 17.80 0.30 1 1009 106 106 ILE N N 124.64 0.20 1 1010 107 107 SER H H 8.60 0.03 1 1011 107 107 SER HA H 4.45 0.03 1 1012 107 107 SER HB2 H 4.04 0.03 2 1013 107 107 SER HB3 H 4.34 0.03 2 1014 107 107 SER C C 175.70 0.30 1 1015 107 107 SER CA C 58.20 0.30 1 1016 107 107 SER CB C 64.70 0.30 1 1017 107 107 SER N N 123.90 0.20 1 1018 108 108 SER H H 9.10 0.03 1 1019 108 108 SER HA H 4.18 0.03 1 1020 108 108 SER HB2 H 3.98 0.03 2 1021 108 108 SER HB3 H 4.34 0.03 2 1022 108 108 SER C C 175.90 0.30 1 1023 108 108 SER CA C 62.00 0.30 1 1024 108 108 SER N N 118.40 0.20 1 1025 109 109 ASP H H 8.42 0.03 1 1026 109 109 ASP HA H 4.36 0.03 1 1027 109 109 ASP HB2 H 2.70 0.03 2 1028 109 109 ASP HB3 H 2.54 0.03 2 1029 109 109 ASP C C 179.60 0.30 1 1030 109 109 ASP CA C 57.20 0.30 1 1031 109 109 ASP CB C 40.10 0.30 1 1032 109 109 ASP N N 119.60 0.30 1 1033 110 110 VAL H H 7.49 0.03 1 1034 110 110 VAL HA H 3.60 0.03 1 1035 110 110 VAL HB H 2.14 0.03 1 1036 110 110 VAL HG1 H 1.00 0.03 1 1037 110 110 VAL HG2 H 0.86 0.03 1 1038 110 110 VAL C C 177.80 0.30 1 1039 110 110 VAL CA C 66.50 0.30 1 1040 110 110 VAL CB C 31.80 0.30 1 1041 110 110 VAL CG1 C 23.30 0.30 2 1042 110 110 VAL CG2 C 22.30 0.30 2 1043 110 110 VAL N N 122.50 0.20 1 1044 111 111 SER H H 8.20 0.03 1 1045 111 111 SER HA H 4.16 0.03 1 1046 111 111 SER HB2 H 3.89 0.03 2 1047 111 111 SER HB3 H 4.03 0.03 2 1048 111 111 SER C C 178.10 0.30 1 1049 111 111 SER CA C 62.20 0.30 1 1050 111 111 SER CB C 62.80 0.30 1 1051 111 111 SER N N 114.80 0.20 1 1052 112 112 ASP H H 8.83 0.03 1 1053 112 112 ASP HA H 4.37 0.03 1 1054 112 112 ASP HB2 H 2.69 0.03 2 1055 112 112 ASP HB3 H 2.80 0.03 2 1056 112 112 ASP C C 178.60 0.30 1 1057 112 112 ASP CA C 57.60 0.30 1 1058 112 112 ASP CB C 40.10 0.30 1 1059 112 112 ASP N N 120.90 0.20 1 1060 113 113 ALA H H 7.51 0.03 1 1061 113 113 ALA HA H 4.28 0.03 1 1062 113 113 ALA HB H 1.49 0.03 1 1063 113 113 ALA C C 180.80 0.30 1 1064 113 113 ALA CA C 55.10 0.30 1 1065 113 113 ALA CB C 18.10 0.30 1 1066 113 113 ALA N N 123.40 0.20 1 1067 114 114 MET H H 8.21 0.03 1 1068 114 114 MET HA H 3.98 0.03 1 1069 114 114 MET HB2 H 2.21 0.03 2 1070 114 114 MET HB3 H 2.40 0.03 2 1071 114 114 MET HG2 H 2.92 0.03 2 1072 114 114 MET C C 178.70 0.30 1 1073 114 114 MET CA C 60.30 0.30 1 1074 114 114 MET CB C 34.30 0.30 1 1075 114 114 MET CG C 32.50 0.30 1 1076 114 114 MET N N 117.70 0.20 1 1077 115 115 THR H H 8.50 0.03 1 1078 115 115 THR HA H 4.17 0.03 1 1079 115 115 THR HB H 4.37 0.03 1 1080 115 115 THR HG2 H 1.32 0.03 1 1081 115 115 THR C C 175.90 0.30 1 1082 115 115 THR CA C 66.70 0.30 1 1083 115 115 THR CB C 69.10 0.30 1 1084 115 115 THR CG2 C 22.50 0.30 1 1085 115 115 THR N N 117.50 0.20 1 1086 116 116 ASP H H 7.86 0.03 1 1087 116 116 ASP HA H 4.31 0.03 1 1088 116 116 ASP HB2 H 2.52 0.03 2 1089 116 116 ASP HB3 H 2.69 0.03 2 1090 116 116 ASP C C 178.50 0.30 1 1091 116 116 ASP CA C 57.90 0.30 1 1092 116 116 ASP CB C 41.50 0.30 1 1093 116 116 ASP N N 121.00 0.20 1 1094 117 117 HIS H H 7.36 0.03 1 1095 117 117 HIS HA H 4.03 0.03 1 1096 117 117 HIS HB2 H 3.13 0.03 2 1097 117 117 HIS HB3 H 3.04 0.03 2 1098 117 117 HIS C C 178.10 0.30 1 1099 117 117 HIS CA C 60.70 0.30 1 1100 117 117 HIS CB C 28.70 0.30 1 1101 117 117 HIS N N 115.50 0.20 1 1102 118 118 GLU H H 8.75 0.03 1 1103 118 118 GLU HA H 4.55 0.03 1 1104 118 118 GLU HB2 H 2.12 0.03 2 1105 118 118 GLU HB3 H 2.34 0.03 2 1106 118 118 GLU HG2 H 2.55 0.03 2 1107 118 118 GLU HG3 H 2.46 0.03 2 1108 118 118 GLU C C 181.70 0.30 1 1109 118 118 GLU CA C 59.40 0.30 1 1110 118 118 GLU CB C 29.60 0.30 1 1111 118 118 GLU CG C 36.70 0.30 1 1112 118 118 GLU N N 122.70 0.20 1 1113 119 119 MET H H 8.79 0.03 1 1114 119 119 MET HA H 4.39 0.03 1 1115 119 119 MET HB2 H 2.72 0.03 2 1116 119 119 MET HB3 H 2.23 0.03 2 1117 119 119 MET HG2 H 2.78 0.03 2 1118 119 119 MET HG3 H 2.97 0.03 2 1119 119 119 MET C C 177.90 0.30 1 1120 119 119 MET CA C 57.70 0.30 1 1121 119 119 MET CB C 32.70 0.30 1 1122 119 119 MET CG C 32.40 0.30 1 1123 119 119 MET N N 119.40 0.20 1 1124 120 120 LYS H H 7.41 0.03 1 1125 120 120 LYS HA H 4.43 0.03 1 1126 120 120 LYS HB2 H 1.81 0.03 2 1127 120 120 LYS HB3 H 2.10 0.03 2 1128 120 120 LYS HD2 H 1.44 0.03 2 1129 120 120 LYS HE2 H 2.82 0.03 2 1130 120 120 LYS HE3 H 2.71 0.03 2 1131 120 120 LYS HG2 H 1.54 0.03 2 1132 120 120 LYS C C 176.90 0.30 1 1133 120 120 LYS CA C 56.30 0.30 1 1134 120 120 LYS CB C 33.00 0.30 1 1135 120 120 LYS CD C 29.90 0.30 1 1136 120 120 LYS CE C 42.30 0.30 1 1137 120 120 LYS CG C 25.00 0.30 1 1138 120 120 LYS N N 118.20 0.20 1 1139 121 121 GLY H H 8.13 0.03 1 1140 121 121 GLY HA2 H 3.89 0.03 2 1141 121 121 GLY HA3 H 4.24 0.03 2 1142 121 121 GLY C C 175.00 0.30 1 1143 121 121 GLY CA C 45.90 0.30 1 1144 121 121 GLY N N 108.20 0.20 1 1145 122 122 GLN H H 7.74 0.03 1 1146 122 122 GLN HA H 4.75 0.03 1 1147 122 122 GLN HB2 H 1.88 0.03 2 1148 122 122 GLN HB3 H 2.23 0.03 2 1149 122 122 GLN HE21 H 7.62 0.03 2 1150 122 122 GLN HE22 H 6.90 0.03 2 1151 122 122 GLN HG2 H 2.29 0.03 2 1152 122 122 GLN HG3 H 2.03 0.03 2 1153 122 122 GLN C C 175.40 0.30 1 1154 122 122 GLN CA C 54.70 0.30 1 1155 122 122 GLN CB C 30.10 0.30 1 1156 122 122 GLN CG C 33.90 0.30 1 1157 122 122 GLN N N 119.10 0.20 1 1158 122 122 GLN NE2 N 108.80 0.30 1 1159 123 123 THR H H 8.88 0.03 1 1160 123 123 THR HA H 4.39 0.03 1 1161 123 123 THR HB H 3.83 0.03 1 1162 123 123 THR HG2 H 1.09 0.03 1 1163 123 123 THR C C 173.00 0.30 1 1164 123 123 THR CA C 63.10 0.30 1 1165 123 123 THR CB C 70.40 0.30 1 1166 123 123 THR CG2 C 21.30 0.30 1 1167 123 123 THR N N 118.40 0.20 1 1168 124 124 ALA H H 8.96 0.03 1 1169 124 124 ALA HA H 5.28 0.03 1 1170 124 124 ALA HB H 1.29 0.03 1 1171 124 124 ALA C C 175.30 0.30 1 1172 124 124 ALA CA C 50.30 0.30 1 1173 124 124 ALA CB C 21.80 0.30 1 1174 124 124 ALA N N 130.20 0.20 1 1175 125 125 ILE H H 8.89 0.03 1 1176 125 125 ILE HA H 4.36 0.03 1 1177 125 125 ILE HB H 1.89 0.03 1 1178 125 125 ILE C C 174.30 0.30 1 1179 125 125 ILE CA C 59.30 0.30 1 1180 125 125 ILE CB C 41.10 0.30 1 1181 125 125 ILE N N 118.80 0.20 1 1182 126 126 LEU H H 9.06 0.03 1 1183 126 126 LEU HA H 5.07 0.03 1 1184 126 126 LEU HB2 H 1.31 0.03 2 1185 126 126 LEU HB3 H 1.88 0.03 2 1186 126 126 LEU HD1 H 0.94 0.03 1 1187 126 126 LEU HD2 H 0.73 0.03 1 1188 126 126 LEU HG H 1.31 0.03 1 1189 126 126 LEU C C 175.80 0.30 1 1190 126 126 LEU CA C 54.00 0.30 1 1191 126 126 LEU CB C 45.50 0.30 1 1192 126 126 LEU CD1 C 23.00 0.30 2 1193 126 126 LEU CD2 C 26.00 0.30 2 1194 126 126 LEU CG C 27.50 0.30 1 1195 126 126 LEU N N 124.20 0.20 1 1196 127 127 VAL H H 8.29 0.03 1 1197 127 127 VAL HA H 4.88 0.03 1 1198 127 127 VAL HB H 1.67 0.03 1 1199 127 127 VAL HG1 H 0.70 0.03 1 1200 127 127 VAL HG2 H 0.74 0.03 1 1201 127 127 VAL C C 174.50 0.30 1 1202 127 127 VAL CA C 60.70 0.30 1 1203 127 127 VAL CB C 35.60 0.30 1 1204 127 127 VAL CG1 C 20.60 0.30 2 1205 127 127 VAL CG2 C 20.60 0.30 2 1206 127 127 VAL N N 116.50 0.20 1 1207 128 128 ALA H H 9.48 0.03 1 1208 128 128 ALA HA H 5.55 0.03 1 1209 128 128 ALA HB H 1.05 0.03 1 1210 128 128 ALA C C 176.10 0.30 1 1211 128 128 ALA CA C 50.60 0.30 1 1212 128 128 ALA CB C 22.90 0.30 1 1213 128 128 ALA N N 129.50 0.20 1 1214 129 129 ILE H H 8.33 0.03 1 1215 129 129 ILE HA H 4.84 0.03 1 1216 129 129 ILE HB H 1.70 0.03 1 1217 129 129 ILE HD1 H 0.66 0.03 1 1218 129 129 ILE HG12 H 1.56 0.03 2 1219 129 129 ILE HG2 H 0.90 0.03 1 1220 129 129 ILE C C 176.00 0.30 1 1221 129 129 ILE CA C 60.50 0.30 1 1222 129 129 ILE CB C 40.70 0.30 1 1223 129 129 ILE CD1 C 14.10 0.30 1 1224 129 129 ILE CG2 C 18.20 0.30 1 1225 129 129 ILE N N 121.20 0.20 1 1226 130 130 ASP H H 10.26 0.03 1 1227 130 130 ASP HA H 4.49 0.03 1 1228 130 130 ASP HB2 H 2.87 0.03 2 1229 130 130 ASP HB3 H 3.03 0.03 2 1230 130 130 ASP C C 176.30 0.30 1 1231 130 130 ASP CA C 56.00 0.30 1 1232 130 130 ASP CB C 39.70 0.30 1 1233 130 130 ASP N N 129.70 0.20 1 1234 131 131 GLY H H 9.20 0.03 1 1235 131 131 GLY HA2 H 3.34 0.03 2 1236 131 131 GLY HA3 H 4.09 0.03 2 1237 131 131 GLY C C 173.60 0.30 1 1238 131 131 GLY CA C 45.50 0.30 1 1239 131 131 GLY N N 103.00 0.20 1 1240 132 132 VAL H H 7.68 0.03 1 1241 132 132 VAL HA H 4.14 0.03 1 1242 132 132 VAL HB H 2.12 0.03 1 1243 132 132 VAL HG1 H 0.90 0.03 1 1244 132 132 VAL HG2 H 0.92 0.03 1 1245 132 132 VAL C C 176.10 0.30 1 1246 132 132 VAL CA C 61.30 0.30 1 1247 132 132 VAL CB C 34.30 0.30 1 1248 132 132 VAL CG1 C 21.30 0.30 2 1249 132 132 VAL CG2 C 21.30 0.30 2 1250 132 132 VAL N N 120.10 0.20 1 1251 133 133 LEU H H 8.93 0.03 1 1252 133 133 LEU HA H 4.33 0.03 1 1253 133 133 LEU HB2 H 1.91 0.03 2 1254 133 133 LEU HB3 H 1.44 0.03 2 1255 133 133 LEU HD1 H 0.69 0.03 1 1256 133 133 LEU HD2 H 0.90 0.03 1 1257 133 133 LEU HG H 1.56 0.03 1 1258 133 133 LEU C C 176.20 0.30 1 1259 133 133 LEU CA C 56.70 0.30 1 1260 133 133 LEU CB C 41.70 0.30 1 1261 133 133 LEU CD1 C 25.70 0.30 2 1262 133 133 LEU CG C 26.40 0.30 1 1263 133 133 LEU N N 130.10 0.20 1 1264 134 134 CYS H H 9.12 0.03 1 1265 134 134 CYS HA H 5.25 0.03 1 1266 134 134 CYS HB2 H 3.16 0.03 2 1267 134 134 CYS HB3 H 2.69 0.03 2 1268 134 134 CYS C C 175.20 0.30 1 1269 134 134 CYS CA C 57.80 0.30 1 1270 134 134 CYS CB C 31.80 0.30 1 1271 134 134 CYS N N 120.80 0.20 1 1272 135 135 GLY H H 7.95 0.03 1 1273 135 135 GLY HA2 H 3.45 0.03 2 1274 135 135 GLY HA3 H 5.22 0.03 2 1275 135 135 GLY C C 169.80 0.30 1 1276 135 135 GLY CA C 45.50 0.30 1 1277 135 135 GLY N N 110.00 0.20 1 1278 136 136 MET H H 9.06 0.03 1 1279 136 136 MET HA H 5.30 0.03 1 1280 136 136 MET HB2 H 2.07 0.03 2 1281 136 136 MET HB3 H 1.99 0.03 2 1282 136 136 MET HG3 H 2.31 0.03 2 1283 136 136 MET C C 173.70 0.30 1 1284 136 136 MET CA C 54.50 0.30 1 1285 136 136 MET CB C 37.50 0.30 1 1286 136 136 MET CG C 31.70 0.30 1 1287 136 136 MET N N 121.00 0.20 1 1288 137 137 ILE H H 9.37 0.03 1 1289 137 137 ILE HA H 4.60 0.03 1 1290 137 137 ILE HB H 1.45 0.03 1 1291 137 137 ILE HD1 H 0.56 0.03 1 1292 137 137 ILE HG2 H 0.62 0.03 1 1293 137 137 ILE C C 173.90 0.30 1 1294 137 137 ILE CA C 60.30 0.30 1 1295 137 137 ILE CB C 40.60 0.30 1 1296 137 137 ILE CD1 C 14.40 0.30 1 1297 137 137 ILE CG2 C 18.10 0.30 1 1298 137 137 ILE N N 126.30 0.20 1 1299 138 138 ALA H H 8.58 0.03 1 1300 138 138 ALA HA H 5.21 0.03 1 1301 138 138 ALA HB H 0.82 0.03 1 1302 138 138 ALA C C 176.60 0.30 1 1303 138 138 ALA CA C 50.30 0.30 1 1304 138 138 ALA CB C 20.40 0.30 1 1305 138 138 ALA N N 129.50 0.20 1 1306 139 139 ILE H H 9.27 0.03 1 1307 139 139 ILE HA H 4.58 0.03 1 1308 139 139 ILE HB H 1.52 0.03 1 1309 139 139 ILE HD1 H 0.59 0.03 1 1310 139 139 ILE HG2 H 0.70 0.03 1 1311 139 139 ILE C C 174.20 0.30 1 1312 139 139 ILE CA C 60.30 0.30 1 1313 139 139 ILE CG2 C 18.20 0.30 1 1314 139 139 ILE N N 124.30 0.20 1 1315 140 140 ALA H H 8.96 0.03 1 1316 140 140 ALA HA H 4.83 0.03 1 1317 140 140 ALA HB H 1.47 0.03 1 1318 140 140 ALA C C 175.30 0.30 1 1319 140 140 ALA CA C 51.40 0.30 1 1320 140 140 ALA CB C 21.60 0.30 1 1321 140 140 ALA N N 129.80 0.20 1 1322 141 141 ASP H H 8.23 0.03 1 1323 141 141 ASP HA H 4.32 0.03 1 1324 141 141 ASP HB2 H 2.69 0.03 2 1325 141 141 ASP HB3 H 2.50 0.03 2 1326 141 141 ASP C C 180.50 0.30 1 1327 141 141 ASP CA C 55.50 0.30 1 1328 141 141 ASP CB C 42.20 0.30 1 1329 141 141 ASP N N 126.70 0.20 1 stop_ save_