data_7119 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Assignment of the Human Cancer-Related Protein 32324 ; _BMRB_accession_number 7119 _BMRB_flat_file_name bmr7119.str _Entry_type original _Submission_date 2006-05-18 _Accession_date 2006-05-18 _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 Placzek William J. . 2 Almeida Marcius A. . 3 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1054 "13C chemical shifts" 789 "15N chemical shifts" 171 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-06-18 update BMRB 'update ligand saveframes' 2007-02-09 update BMRB 'complete entry citation' 2006-10-02 original author 'original release' stop_ _Original_release_date 2006-05-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR Assignment of the Human Cancer-Related nucleoside triphosphatase ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16933021 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Placzek William J. . 2 Almeida Marcius A. . 3 Wuthrich Kurt . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 36 _Journal_issue 'Suppl. 5' _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 59 _Page_last 59 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name '32324 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label '32324 monomer' $32324 'Magnesium ion' $entity_MG stop_ _System_molecular_weight 20581 _System_physical_state native _System_oligomer_state 'protein-ligand system' _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details ; It contains the ligand: ATP-g-S; C10 H12 N5 O12 P3 S LI4: Adenosine 5'-O-(3-Thiotriphosphate), Tetralithium Salt. ; save_ ######################## # Monomeric polymers # ######################## save_32324 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 32324 _Molecular_mass 20581 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 189 _Mol_residue_sequence ; ARHVFLTGPPGVGKTTLIHK ASEVLKSSGVPVDGFYTEEV RQGGRRIGFDVVTLSGTRGP LSRVGLEPPPGKRECRVGQY VVDLTSFEQLALPVLRNADC SSGPGQRVCVIDEIGKMELF SQLFIQAVRQTLSTPGTIIL GTIPVPKGKPLALVEEIRNR KDVKVFNVTKENRNHLLPDI VTCVQSSRK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ALA 2 2 ARG 3 3 HIS 4 4 VAL 5 5 PHE 6 6 LEU 7 7 THR 8 8 GLY 9 9 PRO 10 10 PRO 11 11 GLY 12 12 VAL 13 13 GLY 14 14 LYS 15 15 THR 16 16 THR 17 17 LEU 18 18 ILE 19 19 HIS 20 20 LYS 21 21 ALA 22 22 SER 23 23 GLU 24 24 VAL 25 25 LEU 26 26 LYS 27 27 SER 28 28 SER 29 29 GLY 30 30 VAL 31 31 PRO 32 32 VAL 33 33 ASP 34 34 GLY 35 35 PHE 36 36 TYR 37 37 THR 38 38 GLU 39 39 GLU 40 40 VAL 41 41 ARG 42 42 GLN 43 43 GLY 44 44 GLY 45 45 ARG 46 46 ARG 47 47 ILE 48 48 GLY 49 49 PHE 50 50 ASP 51 51 VAL 52 52 VAL 53 53 THR 54 54 LEU 55 55 SER 56 56 GLY 57 57 THR 58 58 ARG 59 59 GLY 60 60 PRO 61 61 LEU 62 62 SER 63 63 ARG 64 64 VAL 65 65 GLY 66 66 LEU 67 67 GLU 68 68 PRO 69 69 PRO 70 70 PRO 71 71 GLY 72 72 LYS 73 73 ARG 74 74 GLU 75 75 CYS 76 76 ARG 77 77 VAL 78 78 GLY 79 79 GLN 80 80 TYR 81 81 VAL 82 82 VAL 83 83 ASP 84 84 LEU 85 85 THR 86 86 SER 87 87 PHE 88 88 GLU 89 89 GLN 90 90 LEU 91 91 ALA 92 92 LEU 93 93 PRO 94 94 VAL 95 95 LEU 96 96 ARG 97 97 ASN 98 98 ALA 99 99 ASP 100 100 CYS 101 101 SER 102 102 SER 103 103 GLY 104 104 PRO 105 105 GLY 106 106 GLN 107 107 ARG 108 108 VAL 109 109 CYS 110 110 VAL 111 111 ILE 112 112 ASP 113 113 GLU 114 114 ILE 115 115 GLY 116 116 LYS 117 117 MET 118 118 GLU 119 119 LEU 120 120 PHE 121 121 SER 122 122 GLN 123 123 LEU 124 124 PHE 125 125 ILE 126 126 GLN 127 127 ALA 128 128 VAL 129 129 ARG 130 130 GLN 131 131 THR 132 132 LEU 133 133 SER 134 134 THR 135 135 PRO 136 136 GLY 137 137 THR 138 138 ILE 139 139 ILE 140 140 LEU 141 141 GLY 142 142 THR 143 143 ILE 144 144 PRO 145 145 VAL 146 146 PRO 147 147 LYS 148 148 GLY 149 149 LYS 150 150 PRO 151 151 LEU 152 152 ALA 153 153 LEU 154 154 VAL 155 155 GLU 156 156 GLU 157 157 ILE 158 158 ARG 159 159 ASN 160 160 ARG 161 161 LYS 162 162 ASP 163 163 VAL 164 164 LYS 165 165 VAL 166 166 PHE 167 167 ASN 168 168 VAL 169 169 THR 170 170 LYS 171 171 GLU 172 172 ASN 173 173 ARG 174 174 ASN 175 175 HIS 176 176 LEU 177 177 LEU 178 178 PRO 179 179 ASP 180 180 ILE 181 181 VAL 182 182 THR 183 183 CYS 184 184 VAL 185 185 GLN 186 186 SER 187 187 SER 188 188 ARG 189 189 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_MG _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'MAGNESIUM ION' _BMRB_code MG _PDB_code MG _Molecular_mass 24.305 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons MG MG MG . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $32324 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 $32324 'recombinant technology' . . . . . 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 $assembly 2 mM '[U-13C; U-15N]' MES 25 mM [U-2H] DTT 5 mM [U-2H] MgCl2 10 mM . stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version 1.5.3 loop_ _Vendor _Address _Electronic_address CARA . www.nmr.ch stop_ loop_ _Task 'Spectral analysis' 'data management' stop_ _Details 'Used for NMR Spectral analysis and data management' save_ save_Topspin _Saveframe_category software _Name Topspin _Version 1.3.b.16 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing 'spectral acquisition' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_800MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_15N1H_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N1H HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HC(C)H-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HC(C)H-TOCSY' _Sample_label $sample_1 save_ save_3D_H(C)C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(C)C(CO)NH' _Sample_label $sample_1 save_ save_2D_13C1H_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C1H HSQC' _Sample_label $sample_1 save_ save_3D_15N_[1H,1H]-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N [1H,1H]-TOCSY' _Sample_label $sample_1 save_ save_3D_13C_[1H,1H]-NOESY_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C [1H,1H]-NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_15N_[1H,1H}-NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N [1H,1H}-NOESY' _Sample_label $sample_1 save_ save_3D_HNCO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNHA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HNHAHB_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHAHB' _Sample_label $sample_1 save_ save_3D_13C_[1H,1H]-NOESY_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C [1H,1H]-NOESY aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.4 0.1 pH temperature 298.0 0.01 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 15N1H HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name '32324 monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 ARG HA H 4.380 0.020 1 2 2 2 ARG HB2 H 1.572 0.020 1 3 2 2 ARG HB3 H 1.572 0.020 1 4 2 2 ARG HG2 H 1.404 0.020 2 5 2 2 ARG HG3 H 1.320 0.020 2 6 2 2 ARG HD2 H 3.104 0.020 1 7 2 2 ARG HD3 H 3.104 0.020 1 8 2 2 ARG CA C 56.159 0.400 1 9 2 2 ARG CB C 32.221 0.400 1 10 2 2 ARG CG C 27.364 0.400 1 11 2 2 ARG CD C 43.271 0.400 1 12 3 3 HIS H H 7.649 0.020 1 13 3 3 HIS HA H 5.045 0.020 1 14 3 3 HIS HB2 H 3.247 0.020 2 15 3 3 HIS HB3 H 2.850 0.020 2 16 3 3 HIS HD2 H 6.797 0.020 1 17 3 3 HIS C C 171.234 0.400 1 18 3 3 HIS CA C 55.300 0.400 1 19 3 3 HIS CB C 35.060 0.400 1 20 3 3 HIS CD2 C 118.059 0.400 1 21 3 3 HIS N N 114.978 0.400 1 22 4 4 VAL H H 9.033 0.020 1 23 4 4 VAL HA H 4.953 0.020 1 24 4 4 VAL HB H 1.823 0.020 1 25 4 4 VAL HG1 H 0.956 0.020 2 26 4 4 VAL HG2 H 0.957 0.020 2 27 4 4 VAL C C 172.287 0.400 1 28 4 4 VAL CA C 61.408 0.400 1 29 4 4 VAL CB C 34.690 0.400 1 30 4 4 VAL CG1 C 22.208 0.400 1 31 4 4 VAL CG2 C 22.258 0.400 1 32 4 4 VAL N N 122.116 0.400 1 33 5 5 PHE H H 9.239 0.020 1 34 5 5 PHE HA H 5.535 0.020 1 35 5 5 PHE HB2 H 2.729 0.020 2 36 5 5 PHE HB3 H 2.624 0.020 2 37 5 5 PHE HD1 H 6.934 0.020 1 38 5 5 PHE HD2 H 6.934 0.020 1 39 5 5 PHE HE1 H 6.964 0.020 1 40 5 5 PHE HE2 H 6.964 0.020 1 41 5 5 PHE HZ H 6.758 0.020 1 42 5 5 PHE C C 170.434 0.400 1 43 5 5 PHE CA C 55.162 0.400 1 44 5 5 PHE CB C 43.672 0.400 1 45 5 5 PHE CD1 C 131.321 0.400 1 46 5 5 PHE CD2 C 131.321 0.400 1 47 5 5 PHE CE1 C 130.676 0.400 1 48 5 5 PHE CE2 C 130.676 0.400 1 49 5 5 PHE CZ C 128.563 0.400 1 50 5 5 PHE N N 122.373 0.400 1 51 6 6 LEU H H 9.494 0.020 1 52 6 6 LEU HA H 5.385 0.020 1 53 6 6 LEU HB2 H 1.827 0.020 2 54 6 6 LEU HB3 H 1.450 0.020 2 55 6 6 LEU HG H 1.744 0.020 1 56 6 6 LEU HD1 H 0.835 0.020 2 57 6 6 LEU HD2 H 0.768 0.020 2 58 6 6 LEU C C 171.878 0.400 1 59 6 6 LEU CA C 53.011 0.400 1 60 6 6 LEU CB C 43.215 0.400 1 61 6 6 LEU CG C 28.325 0.400 1 62 6 6 LEU CD1 C 26.021 0.400 1 63 6 6 LEU CD2 C 24.878 0.400 1 64 6 6 LEU N N 121.426 0.400 1 65 7 7 THR H H 8.886 0.020 1 66 7 7 THR HA H 5.424 0.020 1 67 7 7 THR HB H 3.754 0.020 1 68 7 7 THR HG2 H 1.055 0.020 1 69 7 7 THR C C 173.341 0.400 1 70 7 7 THR CA C 59.574 0.400 1 71 7 7 THR CB C 71.824 0.400 1 72 7 7 THR CG2 C 18.750 0.400 1 73 7 7 THR N N 114.792 0.400 1 74 8 8 GLY H H 7.090 0.020 1 75 8 8 GLY HA2 H 4.712 0.020 2 76 8 8 GLY HA3 H 4.231 0.020 2 77 8 8 GLY C C 168.796 0.400 1 78 8 8 GLY CA C 44.491 0.400 1 79 8 8 GLY N N 110.494 0.400 1 80 10 10 PRO HA H 4.342 0.020 1 81 10 10 PRO HB2 H 2.437 0.020 2 82 10 10 PRO HB3 H 1.946 0.020 2 83 10 10 PRO HG2 H 2.205 0.020 2 84 10 10 PRO HG3 H 2.071 0.020 2 85 10 10 PRO HD2 H 3.674 0.020 2 86 10 10 PRO HD3 H 3.563 0.020 2 87 10 10 PRO CA C 63.963 0.400 1 88 10 10 PRO CB C 31.653 0.400 1 89 10 10 PRO CG C 27.990 0.400 1 90 10 10 PRO CD C 50.449 0.400 1 91 11 11 GLY H H 10.701 0.020 1 92 11 11 GLY HA2 H 4.209 0.020 2 93 11 11 GLY HA3 H 3.760 0.020 2 94 11 11 GLY C C 175.486 0.400 1 95 11 11 GLY CA C 45.731 0.400 1 96 11 11 GLY N N 115.620 0.400 1 97 12 12 VAL H H 7.569 0.020 1 98 12 12 VAL HA H 3.891 0.020 1 99 12 12 VAL HB H 1.916 0.020 1 100 12 12 VAL HG1 H 0.944 0.020 2 101 12 12 VAL HG2 H 0.873 0.020 2 102 12 12 VAL C C 171.468 0.400 1 103 12 12 VAL CA C 63.407 0.400 1 104 12 12 VAL CB C 32.656 0.400 1 105 12 12 VAL CG1 C 21.192 0.400 1 106 12 12 VAL CG2 C 20.794 0.400 1 107 12 12 VAL N N 117.897 0.400 1 108 13 13 GLY H H 8.550 0.020 1 109 13 13 GLY HA2 H 4.884 0.020 2 110 13 13 GLY HA3 H 4.214 0.020 2 111 13 13 GLY C C 171.176 0.400 1 112 13 13 GLY CA C 45.051 0.400 1 113 13 13 GLY N N 107.884 0.400 1 114 14 14 LYS H H 10.798 0.020 1 115 14 14 LYS HA H 3.791 0.020 1 116 14 14 LYS HB2 H 1.488 0.020 1 117 14 14 LYS HB3 H 1.488 0.020 1 118 14 14 LYS HG2 H 1.473 0.020 1 119 14 14 LYS HG3 H 1.473 0.020 1 120 14 14 LYS HD2 H 1.667 0.020 2 121 14 14 LYS HD3 H 1.476 0.020 2 122 14 14 LYS HE2 H 2.918 0.020 1 123 14 14 LYS HE3 H 2.918 0.020 1 124 14 14 LYS C C 173.536 0.400 1 125 14 14 LYS CA C 60.815 0.400 1 126 14 14 LYS CB C 29.074 0.400 1 127 14 14 LYS CG C 26.273 0.400 1 128 14 14 LYS CD C 29.491 0.400 1 129 14 14 LYS CE C 41.959 0.400 1 130 14 14 LYS N N 126.240 0.400 1 131 15 15 THR H H 9.641 0.020 1 132 15 15 THR HA H 3.567 0.020 1 133 15 15 THR HB H 4.421 0.020 1 134 15 15 THR HG2 H 1.175 0.020 1 135 15 15 THR C C 174.804 0.400 1 136 15 15 THR CA C 67.823 0.400 1 137 15 15 THR CB C 68.191 0.400 1 138 15 15 THR CG2 C 21.128 0.400 1 139 15 15 THR N N 120.550 0.400 1 140 16 16 THR H H 8.996 0.020 1 141 16 16 THR HA H 3.670 0.020 1 142 16 16 THR HB H 4.164 0.020 1 143 16 16 THR HG2 H 0.913 0.020 1 144 16 16 THR C C 172.970 0.400 1 145 16 16 THR CA C 68.001 0.400 1 146 16 16 THR CB C 68.598 0.400 1 147 16 16 THR CG2 C 20.011 0.400 1 148 16 16 THR N N 119.016 0.400 1 149 17 17 LEU H H 7.571 0.020 1 150 17 17 LEU HA H 3.955 0.020 1 151 17 17 LEU HB2 H 1.983 0.020 2 152 17 17 LEU HB3 H 1.170 0.020 2 153 17 17 LEU HG H 1.708 0.020 1 154 17 17 LEU HD1 H 0.926 0.020 2 155 17 17 LEU HD2 H 0.907 0.020 2 156 17 17 LEU C C 173.731 0.400 1 157 17 17 LEU CA C 58.530 0.400 1 158 17 17 LEU CB C 43.044 0.400 1 159 17 17 LEU CG C 27.998 0.400 1 160 17 17 LEU CD1 C 24.635 0.400 1 161 17 17 LEU CD2 C 26.345 0.400 1 162 17 17 LEU N N 122.311 0.400 1 163 18 18 ILE H H 8.281 0.020 1 164 18 18 ILE HA H 3.526 0.020 1 165 18 18 ILE HB H 2.198 0.020 1 166 18 18 ILE HG12 H 1.371 0.020 2 167 18 18 ILE HG13 H 1.222 0.020 2 168 18 18 ILE HG2 H 0.701 0.020 1 169 18 18 ILE HD1 H 0.520 0.020 1 170 18 18 ILE C C 175.798 0.400 1 171 18 18 ILE CA C 63.454 0.400 1 172 18 18 ILE CB C 35.232 0.400 1 173 18 18 ILE CG1 C 28.700 0.400 1 174 18 18 ILE CG2 C 18.267 0.400 1 175 18 18 ILE CD1 C 10.291 0.400 1 176 18 18 ILE N N 120.805 0.400 1 177 19 19 HIS H H 8.726 0.020 1 178 19 19 HIS HA H 4.093 0.020 1 179 19 19 HIS HB2 H 2.966 0.020 2 180 19 19 HIS HB3 H 2.796 0.020 2 181 19 19 HIS HD2 H 6.608 0.020 1 182 19 19 HIS C C 176.579 0.400 1 183 19 19 HIS CA C 58.972 0.400 1 184 19 19 HIS CB C 30.009 0.400 1 185 19 19 HIS CD2 C 117.766 0.400 1 186 19 19 HIS N N 122.298 0.400 1 187 20 20 LYS H H 8.140 0.020 1 188 20 20 LYS HA H 3.925 0.020 1 189 20 20 LYS HB2 H 1.870 0.020 2 190 20 20 LYS HB3 H 1.806 0.020 2 191 20 20 LYS HG2 H 1.675 0.020 2 192 20 20 LYS HG3 H 1.389 0.020 2 193 20 20 LYS HD2 H 1.596 0.020 2 194 20 20 LYS HD3 H 1.556 0.020 2 195 20 20 LYS HE2 H 2.796 0.020 2 196 20 20 LYS HE3 H 2.722 0.020 2 197 20 20 LYS C C 176.150 0.400 1 198 20 20 LYS CA C 59.694 0.400 1 199 20 20 LYS CB C 33.312 0.400 1 200 20 20 LYS CG C 25.796 0.400 1 201 20 20 LYS CD C 29.615 0.400 1 202 20 20 LYS CE C 42.067 0.400 1 203 20 20 LYS N N 119.485 0.400 1 204 21 21 ALA H H 9.004 0.020 1 205 21 21 ALA HA H 3.738 0.020 1 206 21 21 ALA HB H 1.186 0.020 1 207 21 21 ALA C C 177.008 0.400 1 208 21 21 ALA CA C 55.057 0.400 1 209 21 21 ALA CB C 17.574 0.400 1 210 21 21 ALA N N 121.343 0.400 1 211 22 22 SER H H 8.625 0.020 1 212 22 22 SER HA H 3.843 0.020 1 213 22 22 SER HB2 H 4.007 0.020 1 214 22 22 SER HB3 H 4.007 0.020 1 215 22 22 SER C C 176.676 0.400 1 216 22 22 SER CA C 63.564 0.400 1 217 22 22 SER CB C 62.651 0.400 1 218 22 22 SER N N 114.409 0.400 1 219 23 23 GLU H H 7.640 0.020 1 220 23 23 GLU HA H 4.048 0.020 1 221 23 23 GLU HB2 H 2.082 0.020 1 222 23 23 GLU HB3 H 2.082 0.020 1 223 23 23 GLU HG2 H 2.274 0.020 2 224 23 23 GLU HG3 H 2.197 0.020 2 225 23 23 GLU C C 172.970 0.400 1 226 23 23 GLU CA C 59.440 0.400 1 227 23 23 GLU CB C 29.462 0.400 1 228 23 23 GLU CG C 36.120 0.400 1 229 23 23 GLU N N 121.354 0.400 1 230 24 24 VAL H H 7.696 0.020 1 231 24 24 VAL HA H 3.677 0.020 1 232 24 24 VAL HB H 2.062 0.020 1 233 24 24 VAL HG1 H 1.059 0.020 2 234 24 24 VAL HG2 H 0.917 0.020 2 235 24 24 VAL C C 176.949 0.400 1 236 24 24 VAL CA C 66.307 0.400 1 237 24 24 VAL CB C 31.462 0.400 1 238 24 24 VAL CG1 C 22.535 0.400 1 239 24 24 VAL CG2 C 22.103 0.400 1 240 24 24 VAL N N 121.000 0.400 1 241 25 25 LEU H H 8.552 0.020 1 242 25 25 LEU HA H 3.849 0.020 1 243 25 25 LEU HB2 H 1.925 0.020 2 244 25 25 LEU HB3 H 1.033 0.020 2 245 25 25 LEU HG H 1.844 0.020 1 246 25 25 LEU HD1 H 0.837 0.020 2 247 25 25 LEU HD2 H 0.715 0.020 2 248 25 25 LEU C C 177.281 0.400 1 249 25 25 LEU CA C 58.114 0.400 1 250 25 25 LEU CB C 41.268 0.400 1 251 25 25 LEU CG C 26.966 0.400 1 252 25 25 LEU CD1 C 22.641 0.400 1 253 25 25 LEU CD2 C 26.066 0.400 1 254 25 25 LEU N N 121.148 0.400 1 255 26 26 LYS H H 8.631 0.020 1 256 26 26 LYS HA H 4.299 0.020 1 257 26 26 LYS HB2 H 1.905 0.020 1 258 26 26 LYS HB3 H 1.905 0.020 1 259 26 26 LYS HG2 H 1.668 0.020 2 260 26 26 LYS HG3 H 1.484 0.020 2 261 26 26 LYS HD2 H 1.692 0.020 1 262 26 26 LYS HD3 H 1.692 0.020 1 263 26 26 LYS HE2 H 2.927 0.020 1 264 26 26 LYS HE3 H 2.927 0.020 1 265 26 26 LYS C C 176.754 0.400 1 266 26 26 LYS CA C 59.931 0.400 1 267 26 26 LYS CB C 32.522 0.400 1 268 26 26 LYS CG C 25.496 0.400 1 269 26 26 LYS CD C 29.675 0.400 1 270 26 26 LYS CE C 41.871 0.400 1 271 26 26 LYS N N 121.220 0.400 1 272 27 27 SER H H 8.198 0.020 1 273 27 27 SER HA H 4.321 0.020 1 274 27 27 SER HB2 H 4.081 0.020 2 275 27 27 SER HB3 H 4.020 0.020 2 276 27 27 SER C C 178.822 0.400 1 277 27 27 SER CA C 61.305 0.400 1 278 27 27 SER CB C 62.895 0.400 1 279 27 27 SER N N 116.032 0.400 1 280 28 28 SER H H 7.700 0.020 1 281 28 28 SER HA H 4.627 0.020 1 282 28 28 SER HB2 H 4.030 0.020 1 283 28 28 SER HB3 H 4.030 0.020 1 284 28 28 SER C C 172.560 0.400 1 285 28 28 SER CA C 58.608 0.400 1 286 28 28 SER CB C 63.726 0.400 1 287 28 28 SER N N 115.686 0.400 1 288 29 29 GLY H H 7.900 0.020 1 289 29 29 GLY HA2 H 4.250 0.020 2 290 29 29 GLY HA3 H 3.739 0.020 2 291 29 29 GLY C C 171.663 0.400 1 292 29 29 GLY CA C 45.389 0.400 1 293 29 29 GLY N N 108.802 0.400 1 294 30 30 VAL H H 7.620 0.020 1 295 30 30 VAL HA H 4.184 0.020 1 296 30 30 VAL HB H 1.710 0.020 1 297 30 30 VAL HG1 H 0.833 0.020 2 298 30 30 VAL HG2 H 0.793 0.020 2 299 30 30 VAL C C 171.527 0.400 1 300 30 30 VAL CA C 60.054 0.400 1 301 30 30 VAL CB C 32.907 0.400 1 302 30 30 VAL CG1 C 21.760 0.400 1 303 30 30 VAL CG2 C 20.390 0.400 1 304 30 30 VAL N N 123.501 0.400 1 305 31 31 PRO HA H 4.491 0.020 1 306 31 31 PRO HB2 H 2.265 0.020 2 307 31 31 PRO HB3 H 1.995 0.020 2 308 31 31 PRO HG2 H 2.016 0.020 1 309 31 31 PRO HG3 H 2.016 0.020 1 310 31 31 PRO HD2 H 3.681 0.020 2 311 31 31 PRO HD3 H 3.606 0.020 2 312 31 31 PRO CA C 62.972 0.400 1 313 31 31 PRO CB C 32.223 0.400 1 314 31 31 PRO CG C 27.033 0.400 1 315 31 31 PRO CD C 49.695 0.400 1 316 32 32 VAL H H 7.915 0.020 1 317 32 32 VAL HA H 5.134 0.020 1 318 32 32 VAL HB H 1.732 0.020 1 319 32 32 VAL HG1 H 0.843 0.020 2 320 32 32 VAL HG2 H 0.851 0.020 2 321 32 32 VAL C C 172.756 0.400 1 322 32 32 VAL CA C 60.200 0.400 1 323 32 32 VAL CB C 34.931 0.400 1 324 32 32 VAL CG1 C 21.767 0.400 1 325 32 32 VAL CG2 C 21.591 0.400 1 326 32 32 VAL N N 123.603 0.400 1 327 33 33 ASP H H 8.645 0.020 1 328 33 33 ASP HA H 5.004 0.020 1 329 33 33 ASP HB2 H 2.852 0.020 2 330 33 33 ASP HB3 H 2.660 0.020 2 331 33 33 ASP C C 171.468 0.400 1 332 33 33 ASP CA C 52.527 0.400 1 333 33 33 ASP CB C 44.344 0.400 1 334 33 33 ASP N N 125.766 0.400 1 335 34 34 GLY H H 9.347 0.020 1 336 34 34 GLY HA2 H 5.728 0.020 2 337 34 34 GLY HA3 H 3.654 0.020 2 338 34 34 GLY C C 171.741 0.400 1 339 34 34 GLY CA C 45.431 0.400 1 340 34 34 GLY N N 106.917 0.400 1 341 35 35 PHE H H 8.696 0.020 1 342 35 35 PHE HA H 5.497 0.020 1 343 35 35 PHE HB2 H 2.885 0.020 2 344 35 35 PHE HB3 H 2.640 0.020 2 345 35 35 PHE HD1 H 6.955 0.020 1 346 35 35 PHE HD2 H 6.955 0.020 1 347 35 35 PHE HE1 H 7.229 0.020 1 348 35 35 PHE HE2 H 7.229 0.020 1 349 35 35 PHE HZ H 7.207 0.020 1 350 35 35 PHE C C 169.596 0.400 1 351 35 35 PHE CA C 55.989 0.400 1 352 35 35 PHE CB C 42.277 0.400 1 353 35 35 PHE CD1 C 132.436 0.400 1 354 35 35 PHE CD2 C 132.436 0.400 1 355 35 35 PHE CE1 C 130.529 0.400 1 356 35 35 PHE CE2 C 130.529 0.400 1 357 35 35 PHE CZ C 129.238 0.400 1 358 35 35 PHE N N 118.187 0.400 1 359 36 36 TYR H H 9.088 0.020 1 360 36 36 TYR HA H 6.079 0.020 1 361 36 36 TYR HB2 H 3.674 0.020 2 362 36 36 TYR HB3 H 2.680 0.020 2 363 36 36 TYR HD1 H 6.868 0.020 1 364 36 36 TYR HD2 H 6.868 0.020 1 365 36 36 TYR HE1 H 6.665 0.020 1 366 36 36 TYR HE2 H 6.665 0.020 1 367 36 36 TYR C C 167.860 0.400 1 368 36 36 TYR CA C 55.023 0.400 1 369 36 36 TYR CB C 40.636 0.400 1 370 36 36 TYR CD1 C 133.485 0.400 1 371 36 36 TYR CD2 C 133.485 0.400 1 372 36 36 TYR CE1 C 117.678 0.400 1 373 36 36 TYR CE2 C 117.678 0.400 1 374 36 36 TYR N N 115.941 0.400 1 375 37 37 THR HA H 5.636 0.020 1 376 37 37 THR HB H 3.864 0.020 1 377 37 37 THR HG2 H 1.266 0.020 1 378 37 37 THR CA C 60.449 0.400 1 379 37 37 THR CB C 71.010 0.400 1 380 37 37 THR CG2 C 22.609 0.400 1 381 38 38 GLU H H 8.954 0.020 1 382 38 38 GLU HA H 4.971 0.020 1 383 38 38 GLU HB2 H 2.096 0.020 2 384 38 38 GLU HB3 H 1.977 0.020 2 385 38 38 GLU HG2 H 2.426 0.020 2 386 38 38 GLU HG3 H 2.328 0.020 2 387 38 38 GLU C C 172.736 0.400 1 388 38 38 GLU CA C 54.713 0.400 1 389 38 38 GLU CB C 34.790 0.400 1 390 38 38 GLU CG C 36.599 0.400 1 391 38 38 GLU N N 124.000 0.400 1 392 39 39 GLU H H 9.063 0.020 1 393 39 39 GLU HA H 4.058 0.020 1 394 39 39 GLU HB2 H 1.839 0.020 2 395 39 39 GLU HB3 H 1.746 0.020 2 396 39 39 GLU HG2 H 2.230 0.020 2 397 39 39 GLU HG3 H 1.926 0.020 2 398 39 39 GLU C C 172.717 0.400 1 399 39 39 GLU CA C 56.163 0.400 1 400 39 39 GLU CB C 30.394 0.400 1 401 39 39 GLU CG C 35.710 0.400 1 402 39 39 GLU N N 123.959 0.400 1 403 40 40 VAL H H 8.173 0.020 1 404 40 40 VAL HA H 4.102 0.020 1 405 40 40 VAL HB H 1.323 0.020 1 406 40 40 VAL HG1 H 0.733 0.020 2 407 40 40 VAL HG2 H 0.693 0.020 2 408 40 40 VAL C C 172.112 0.400 1 409 40 40 VAL CA C 61.636 0.400 1 410 40 40 VAL CB C 33.732 0.400 1 411 40 40 VAL CG1 C 21.233 0.400 1 412 40 40 VAL CG2 C 20.218 0.400 1 413 40 40 VAL N N 123.938 0.400 1 414 41 41 ARG H H 8.806 0.020 1 415 41 41 ARG HA H 5.233 0.020 1 416 41 41 ARG HB2 H 1.568 0.020 2 417 41 41 ARG HB3 H 1.410 0.020 2 418 41 41 ARG HG2 H 1.355 0.020 2 419 41 41 ARG HG3 H 1.056 0.020 2 420 41 41 ARG HD2 H 3.056 0.020 2 421 41 41 ARG HD3 H 2.908 0.020 2 422 41 41 ARG C C 172.248 0.400 1 423 41 41 ARG CA C 54.211 0.400 1 424 41 41 ARG CB C 33.704 0.400 1 425 41 41 ARG CG C 27.831 0.400 1 426 41 41 ARG CD C 43.204 0.400 1 427 41 41 ARG N N 126.166 0.400 1 428 42 42 GLN H H 8.815 0.020 1 429 42 42 GLN HA H 4.513 0.020 1 430 42 42 GLN HB2 H 1.963 0.020 2 431 42 42 GLN HB3 H 1.856 0.020 2 432 42 42 GLN HG2 H 2.279 0.020 1 433 42 42 GLN HG3 H 2.279 0.020 1 434 42 42 GLN HE21 H 7.515 0.020 2 435 42 42 GLN HE22 H 6.849 0.020 2 436 42 42 GLN C C 172.951 0.400 1 437 42 42 GLN CA C 55.535 0.400 1 438 42 42 GLN CB C 32.322 0.400 1 439 42 42 GLN CG C 33.795 0.400 1 440 42 42 GLN N N 121.652 0.400 1 441 42 42 GLN NE2 N 111.549 0.400 1 442 43 43 GLY HA2 H 4.124 0.020 2 443 43 43 GLY HA3 H 3.878 0.020 2 444 43 43 GLY CA C 44.652 0.400 1 445 44 44 GLY HA2 H 4.165 0.020 2 446 44 44 GLY HA3 H 3.699 0.020 2 447 44 44 GLY CA C 45.042 0.400 1 448 45 45 ARG H H 7.599 0.020 1 449 45 45 ARG HA H 4.663 0.020 1 450 45 45 ARG HB2 H 1.835 0.020 2 451 45 45 ARG HB3 H 1.788 0.020 2 452 45 45 ARG HG2 H 1.562 0.020 1 453 45 45 ARG HG3 H 1.562 0.020 1 454 45 45 ARG HD2 H 3.182 0.020 1 455 45 45 ARG HD3 H 3.182 0.020 1 456 45 45 ARG C C 171.020 0.400 1 457 45 45 ARG CA C 54.090 0.400 1 458 45 45 ARG CB C 32.802 0.400 1 459 45 45 ARG CG C 26.734 0.400 1 460 45 45 ARG CD C 43.393 0.400 1 461 45 45 ARG N N 119.316 0.400 1 462 46 46 ARG H H 8.872 0.020 1 463 46 46 ARG HA H 4.396 0.020 1 464 46 46 ARG HB2 H 1.894 0.020 2 465 46 46 ARG HB3 H 1.782 0.020 2 466 46 46 ARG HG2 H 1.425 0.020 1 467 46 46 ARG HG3 H 1.425 0.020 1 468 46 46 ARG HD2 H 3.120 0.020 1 469 46 46 ARG HD3 H 3.120 0.020 1 470 46 46 ARG C C 172.326 0.400 1 471 46 46 ARG CA C 57.072 0.400 1 472 46 46 ARG CB C 30.456 0.400 1 473 46 46 ARG CG C 27.529 0.400 1 474 46 46 ARG CD C 43.196 0.400 1 475 46 46 ARG N N 123.516 0.400 1 476 47 47 ILE H H 8.825 0.020 1 477 47 47 ILE HA H 4.751 0.020 1 478 47 47 ILE HB H 2.298 0.020 1 479 47 47 ILE HG12 H 0.987 0.020 2 480 47 47 ILE HG13 H 0.801 0.020 2 481 47 47 ILE HG2 H 0.905 0.020 1 482 47 47 ILE HD1 H 0.781 0.020 1 483 47 47 ILE C C 174.219 0.400 1 484 47 47 ILE CA C 60.990 0.400 1 485 47 47 ILE CB C 39.353 0.400 1 486 47 47 ILE CG1 C 27.116 0.400 1 487 47 47 ILE CG2 C 18.617 0.400 1 488 47 47 ILE CD1 C 14.092 0.400 1 489 47 47 ILE N N 120.283 0.400 1 490 48 48 GLY H H 7.366 0.020 1 491 48 48 GLY HA2 H 4.838 0.020 2 492 48 48 GLY HA3 H 3.389 0.020 2 493 48 48 GLY C C 172.561 0.400 1 494 48 48 GLY CA C 45.120 0.400 1 495 48 48 GLY N N 106.501 0.400 1 496 49 49 PHE H H 8.105 0.020 1 497 49 49 PHE HA H 5.339 0.020 1 498 49 49 PHE HB2 H 2.734 0.020 2 499 49 49 PHE HB3 H 2.547 0.020 2 500 49 49 PHE HD1 H 6.725 0.020 1 501 49 49 PHE HD2 H 6.725 0.020 1 502 49 49 PHE HE1 H 6.879 0.020 1 503 49 49 PHE HE2 H 6.879 0.020 1 504 49 49 PHE HZ H 7.107 0.020 1 505 49 49 PHE C C 166.845 0.400 1 506 49 49 PHE CA C 56.698 0.400 1 507 49 49 PHE CB C 43.967 0.400 1 508 49 49 PHE CD1 C 131.350 0.400 1 509 49 49 PHE CD2 C 131.350 0.400 1 510 49 49 PHE CE1 C 131.321 0.400 1 511 49 49 PHE CE2 C 131.321 0.400 1 512 49 49 PHE CZ C 129.825 0.400 1 513 49 49 PHE N N 116.520 0.400 1 514 50 50 ASP H H 9.753 0.020 1 515 50 50 ASP HA H 5.467 0.020 1 516 50 50 ASP HB2 H 2.493 0.020 2 517 50 50 ASP HB3 H 2.169 0.020 2 518 50 50 ASP C C 171.858 0.400 1 519 50 50 ASP CA C 53.326 0.400 1 520 50 50 ASP CB C 43.085 0.400 1 521 50 50 ASP N N 125.745 0.400 1 522 51 51 VAL H H 8.975 0.020 1 523 51 51 VAL HA H 4.613 0.020 1 524 51 51 VAL HB H 1.816 0.020 1 525 51 51 VAL HG1 H 0.837 0.020 2 526 51 51 VAL HG2 H 0.730 0.020 2 527 51 51 VAL C C 172.756 0.400 1 528 51 51 VAL CA C 60.961 0.400 1 529 51 51 VAL CB C 33.350 0.400 1 530 51 51 VAL CG1 C 22.233 0.400 1 531 51 51 VAL CG2 C 21.380 0.400 1 532 51 51 VAL N N 118.635 0.400 1 533 52 52 VAL H H 8.942 0.020 1 534 52 52 VAL HA H 4.589 0.020 1 535 52 52 VAL HB H 0.864 0.020 1 536 52 52 VAL HG1 H 0.768 0.020 2 537 52 52 VAL HG2 H 0.554 0.020 2 538 52 52 VAL C C 170.727 0.400 1 539 52 52 VAL CA C 60.393 0.400 1 540 52 52 VAL CB C 33.226 0.400 1 541 52 52 VAL CG1 C 21.063 0.400 1 542 52 52 VAL CG2 C 20.055 0.400 1 543 52 52 VAL N N 126.726 0.400 1 544 53 53 THR H H 9.184 0.020 1 545 53 53 THR HA H 5.188 0.020 1 546 53 53 THR HB H 5.053 0.020 1 547 53 53 THR HG2 H 1.190 0.020 1 548 53 53 THR C C 173.828 0.400 1 549 53 53 THR CA C 60.753 0.400 1 550 53 53 THR CB C 70.932 0.400 1 551 53 53 THR CG2 C 21.927 0.400 1 552 53 53 THR N N 114.627 0.400 1 553 54 54 LEU H H 8.696 0.020 1 554 54 54 LEU HA H 4.272 0.020 1 555 54 54 LEU HB2 H 1.906 0.020 1 556 54 54 LEU HB3 H 1.906 0.020 1 557 54 54 LEU HG H 1.742 0.020 1 558 54 54 LEU HD1 H 0.856 0.020 2 559 54 54 LEU HD2 H 0.804 0.020 2 560 54 54 LEU C C 175.506 0.400 1 561 54 54 LEU CA C 57.867 0.400 1 562 54 54 LEU CB C 40.071 0.400 1 563 54 54 LEU CG C 29.920 0.400 1 564 54 54 LEU CD1 C 23.634 0.400 1 565 54 54 LEU CD2 C 24.479 0.400 1 566 54 54 LEU N N 123.341 0.400 1 567 55 55 SER H H 8.264 0.020 1 568 55 55 SER HA H 4.557 0.020 1 569 55 55 SER HB2 H 4.030 0.020 1 570 55 55 SER HB3 H 4.030 0.020 1 571 55 55 SER C C 175.915 0.400 1 572 55 55 SER CA C 58.864 0.400 1 573 55 55 SER CB C 63.354 0.400 1 574 55 55 SER N N 111.920 0.400 1 575 56 56 GLY H H 8.043 0.020 1 576 56 56 GLY HA2 H 4.389 0.020 2 577 56 56 GLY HA3 H 3.641 0.020 2 578 56 56 GLY C C 172.638 0.400 1 579 56 56 GLY CA C 45.539 0.400 1 580 56 56 GLY N N 110.068 0.400 1 581 57 57 THR H H 7.585 0.020 1 582 57 57 THR HA H 4.362 0.020 1 583 57 57 THR HB H 4.069 0.020 1 584 57 57 THR HG2 H 1.167 0.020 1 585 57 57 THR C C 171.956 0.400 1 586 57 57 THR CA C 62.482 0.400 1 587 57 57 THR CB C 69.155 0.400 1 588 57 57 THR CG2 C 22.623 0.400 1 589 57 57 THR N N 117.418 0.400 1 590 58 58 ARG H H 8.500 0.020 1 591 58 58 ARG HA H 5.694 0.020 1 592 58 58 ARG HB2 H 1.795 0.020 2 593 58 58 ARG HB3 H 1.690 0.020 2 594 58 58 ARG HG2 H 1.404 0.020 1 595 58 58 ARG HG3 H 1.404 0.020 1 596 58 58 ARG HD2 H 3.116 0.020 1 597 58 58 ARG HD3 H 3.116 0.020 1 598 58 58 ARG C C 169.615 0.400 1 599 58 58 ARG CA C 53.900 0.400 1 600 58 58 ARG CB C 35.461 0.400 1 601 58 58 ARG CG C 26.848 0.400 1 602 58 58 ARG CD C 43.490 0.400 1 603 58 58 ARG N N 123.259 0.400 1 604 59 59 GLY H H 8.715 0.020 1 605 59 59 GLY HA2 H 4.311 0.020 2 606 59 59 GLY HA3 H 3.733 0.020 2 607 59 59 GLY C C 173.067 0.400 1 608 59 59 GLY CA C 44.872 0.400 1 609 59 59 GLY N N 111.259 0.400 1 610 60 60 PRO HA H 5.053 0.020 1 611 60 60 PRO HB2 H 2.033 0.020 2 612 60 60 PRO HB3 H 1.932 0.020 2 613 60 60 PRO HG2 H 2.206 0.020 2 614 60 60 PRO HG3 H 1.970 0.020 2 615 60 60 PRO HD2 H 3.555 0.020 1 616 60 60 PRO HD3 H 3.555 0.020 1 617 60 60 PRO CA C 63.704 0.400 1 618 60 60 PRO CB C 32.247 0.400 1 619 60 60 PRO CG C 27.513 0.400 1 620 60 60 PRO CD C 49.269 0.400 1 621 61 61 LEU H H 9.058 0.020 1 622 61 61 LEU HA H 4.768 0.020 1 623 61 61 LEU HB2 H 1.494 0.020 2 624 61 61 LEU HB3 H 1.346 0.020 2 625 61 61 LEU HG H 1.209 0.020 1 626 61 61 LEU HD1 H 0.521 0.020 2 627 61 61 LEU HD2 H 0.354 0.020 2 628 61 61 LEU C C 173.653 0.400 1 629 61 61 LEU CA C 55.608 0.400 1 630 61 61 LEU CB C 44.078 0.400 1 631 61 61 LEU CG C 27.887 0.400 1 632 61 61 LEU CD1 C 27.173 0.400 1 633 61 61 LEU CD2 C 22.464 0.400 1 634 61 61 LEU N N 121.076 0.400 1 635 62 62 SER H H 8.471 0.020 1 636 62 62 SER HA H 5.572 0.020 1 637 62 62 SER HB2 H 3.847 0.020 2 638 62 62 SER HB3 H 3.647 0.020 2 639 62 62 SER C C 173.165 0.400 1 640 62 62 SER CA C 56.178 0.400 1 641 62 62 SER CB C 66.675 0.400 1 642 62 62 SER N N 107.719 0.400 1 643 63 63 ARG H H 8.817 0.020 1 644 63 63 ARG HA H 5.674 0.020 1 645 63 63 ARG HB2 H 2.040 0.020 2 646 63 63 ARG HB3 H 1.949 0.020 2 647 63 63 ARG C C 172.756 0.400 1 648 63 63 ARG CA C 53.455 0.400 1 649 63 63 ARG CB C 36.505 0.400 1 650 63 63 ARG N N 121.910 0.400 1 651 64 64 VAL H H 8.488 0.020 1 652 64 64 VAL HA H 4.389 0.020 1 653 64 64 VAL HB H 1.967 0.020 1 654 64 64 VAL HG1 H 0.832 0.020 2 655 64 64 VAL HG2 H 0.847 0.020 2 656 64 64 VAL C C 173.711 0.400 1 657 64 64 VAL CA C 62.522 0.400 1 658 64 64 VAL CB C 32.342 0.400 1 659 64 64 VAL CG1 C 20.953 0.400 1 660 64 64 VAL CG2 C 21.070 0.400 1 661 64 64 VAL N N 121.446 0.400 1 662 65 65 GLY H H 8.767 0.020 1 663 65 65 GLY HA2 H 4.041 0.020 2 664 65 65 GLY HA3 H 3.904 0.020 2 665 65 65 GLY C C 174.531 0.400 1 666 65 65 GLY CA C 45.805 0.400 1 667 65 65 GLY N N 112.888 0.400 1 668 66 66 LEU H H 7.457 0.020 1 669 66 66 LEU HA H 4.351 0.020 1 670 66 66 LEU HB2 H 1.588 0.020 2 671 66 66 LEU HB3 H 1.511 0.020 2 672 66 66 LEU HG H 1.577 0.020 1 673 66 66 LEU HD1 H 0.924 0.020 2 674 66 66 LEU HD2 H 0.837 0.020 2 675 66 66 LEU C C 170.825 0.400 1 676 66 66 LEU CA C 54.618 0.400 1 677 66 66 LEU CB C 42.889 0.400 1 678 66 66 LEU CG C 26.778 0.400 1 679 66 66 LEU CD1 C 24.568 0.400 1 680 66 66 LEU CD2 C 23.523 0.400 1 681 66 66 LEU N N 121.251 0.400 1 682 67 67 GLU H H 8.373 0.020 1 683 67 67 GLU HA H 4.575 0.020 1 684 67 67 GLU HB2 H 1.970 0.020 2 685 67 67 GLU HB3 H 1.874 0.020 2 686 67 67 GLU HG2 H 2.262 0.020 1 687 67 67 GLU HG3 H 2.262 0.020 1 688 67 67 GLU C C 173.750 0.400 1 689 67 67 GLU CA C 54.005 0.400 1 690 67 67 GLU CB C 29.720 0.400 1 691 67 67 GLU CG C 35.747 0.400 1 692 67 67 GLU N N 122.878 0.400 1 693 68 68 PRO HA H 4.663 0.020 1 694 68 68 PRO HB2 H 2.225 0.020 2 695 68 68 PRO HB3 H 1.916 0.020 2 696 68 68 PRO HG2 H 2.020 0.020 2 697 68 68 PRO HG3 H 1.900 0.020 2 698 68 68 PRO HD2 H 3.789 0.020 2 699 68 68 PRO HD3 H 3.672 0.020 2 700 68 68 PRO CA C 61.240 0.400 1 701 68 68 PRO CB C 30.628 0.400 1 702 68 68 PRO CG C 27.140 0.400 1 703 68 68 PRO CD C 50.402 0.400 1 704 69 69 PRO HA H 4.717 0.020 1 705 69 69 PRO HB2 H 2.378 0.020 2 706 69 69 PRO HB3 H 1.813 0.020 2 707 69 69 PRO HG2 H 2.041 0.020 1 708 69 69 PRO HG3 H 2.041 0.020 1 709 69 69 PRO HD2 H 3.858 0.020 2 710 69 69 PRO HD3 H 3.521 0.020 2 711 69 69 PRO CA C 61.078 0.400 1 712 69 69 PRO CB C 30.619 0.400 1 713 69 69 PRO CG C 27.519 0.400 1 714 69 69 PRO CD C 50.299 0.400 1 715 70 70 PRO HA H 4.349 0.020 1 716 70 70 PRO HB2 H 2.299 0.020 2 717 70 70 PRO HB3 H 1.899 0.020 2 718 70 70 PRO HG2 H 2.037 0.020 1 719 70 70 PRO HG3 H 2.037 0.020 1 720 70 70 PRO HD2 H 3.858 0.020 2 721 70 70 PRO HD3 H 3.613 0.020 2 722 70 70 PRO CA C 63.575 0.400 1 723 70 70 PRO CB C 31.775 0.400 1 724 70 70 PRO CG C 27.497 0.400 1 725 70 70 PRO CD C 50.466 0.400 1 726 71 71 GLY H H 8.710 0.020 1 727 71 71 GLY HA2 H 4.148 0.020 2 728 71 71 GLY HA3 H 3.772 0.020 2 729 71 71 GLY CA C 45.368 0.400 1 730 71 71 GLY N N 110.517 0.400 1 731 72 72 LYS H H 7.765 0.020 1 732 72 72 LYS HA H 4.539 0.020 1 733 72 72 LYS HB2 H 1.918 0.020 2 734 72 72 LYS HB3 H 1.720 0.020 2 735 72 72 LYS HG2 H 1.404 0.020 2 736 72 72 LYS HG3 H 1.325 0.020 2 737 72 72 LYS HD2 H 1.673 0.020 1 738 72 72 LYS HD3 H 1.673 0.020 1 739 72 72 LYS HE2 H 2.987 0.020 1 740 72 72 LYS HE3 H 2.987 0.020 1 741 72 72 LYS C C 171.663 0.400 1 742 72 72 LYS CA C 54.815 0.400 1 743 72 72 LYS CB C 33.536 0.400 1 744 72 72 LYS CG C 24.807 0.400 1 745 72 72 LYS CD C 28.725 0.400 1 746 72 72 LYS CE C 42.255 0.400 1 747 72 72 LYS N N 119.708 0.400 1 748 73 73 ARG H H 8.350 0.020 1 749 73 73 ARG HA H 4.255 0.020 1 750 73 73 ARG HB2 H 1.808 0.020 1 751 73 73 ARG HB3 H 1.808 0.020 1 752 73 73 ARG HG2 H 1.704 0.020 2 753 73 73 ARG HG3 H 1.626 0.020 2 754 73 73 ARG HD2 H 3.210 0.020 2 755 73 73 ARG HD3 H 4.255 0.020 2 756 73 73 ARG C C 173.497 0.400 1 757 73 73 ARG CA C 56.429 0.400 1 758 73 73 ARG CB C 30.519 0.400 1 759 73 73 ARG CG C 27.012 0.400 1 760 73 73 ARG CD C 43.544 0.400 1 761 73 73 ARG N N 122.002 0.400 1 762 74 74 GLU H H 8.646 0.020 1 763 74 74 GLU HA H 4.329 0.020 1 764 74 74 GLU HB2 H 2.008 0.020 2 765 74 74 GLU HB3 H 1.932 0.020 2 766 74 74 GLU HG2 H 2.136 0.020 1 767 74 74 GLU HG3 H 2.136 0.020 1 768 74 74 GLU C C 173.282 0.400 1 769 74 74 GLU CA C 56.046 0.400 1 770 74 74 GLU CB C 30.986 0.400 1 771 74 74 GLU CG C 36.209 0.400 1 772 74 74 GLU N N 122.620 0.400 1 773 75 75 CYS H H 8.673 0.020 1 774 75 75 CYS HA H 3.850 0.020 1 775 75 75 CYS HB2 H 2.549 0.020 2 776 75 75 CYS HB3 H 1.437 0.020 2 777 75 75 CYS C C 173.087 0.400 1 778 75 75 CYS CA C 57.836 0.400 1 779 75 75 CYS CB C 27.068 0.400 1 780 75 75 CYS N N 123.588 0.400 1 781 76 76 ARG H H 8.153 0.020 1 782 76 76 ARG HA H 5.178 0.020 1 783 76 76 ARG HB2 H 1.685 0.020 2 784 76 76 ARG HB3 H 1.572 0.020 2 785 76 76 ARG HG2 H 1.417 0.020 1 786 76 76 ARG HG3 H 1.417 0.020 1 787 76 76 ARG HD2 H 3.241 0.020 2 788 76 76 ARG HD3 H 3.129 0.020 2 789 76 76 ARG C C 169.752 0.400 1 790 76 76 ARG CA C 54.584 0.400 1 791 76 76 ARG CB C 33.854 0.400 1 792 76 76 ARG CG C 27.433 0.400 1 793 76 76 ARG CD C 43.360 0.400 1 794 76 76 ARG N N 123.752 0.400 1 795 77 77 VAL H H 8.750 0.020 1 796 77 77 VAL HA H 4.197 0.020 1 797 77 77 VAL HB H 1.990 0.020 1 798 77 77 VAL HG1 H 0.989 0.020 2 799 77 77 VAL HG2 H 0.938 0.020 2 800 77 77 VAL C C 172.580 0.400 1 801 77 77 VAL CA C 61.636 0.400 1 802 77 77 VAL CB C 33.331 0.400 1 803 77 77 VAL CG1 C 21.138 0.400 1 804 77 77 VAL CG2 C 21.977 0.400 1 805 77 77 VAL N N 123.568 0.400 1 806 79 79 GLN HA H 4.201 0.020 1 807 79 79 GLN HB2 H 1.937 0.020 2 808 79 79 GLN HB3 H 1.641 0.020 2 809 79 79 GLN HG2 H 1.942 0.020 1 810 79 79 GLN HG3 H 1.942 0.020 1 811 79 79 GLN HE21 H 7.316 0.020 2 812 79 79 GLN HE22 H 6.834 0.020 2 813 79 79 GLN CA C 56.014 0.400 1 814 79 79 GLN CB C 29.050 0.400 1 815 79 79 GLN CG C 33.239 0.400 1 816 79 79 GLN NE2 N 112.327 0.400 1 817 80 80 TYR H H 8.239 0.020 1 818 80 80 TYR HA H 4.324 0.020 1 819 80 80 TYR HB2 H 3.194 0.020 2 820 80 80 TYR HB3 H 2.773 0.020 2 821 80 80 TYR HD1 H 7.083 0.020 1 822 80 80 TYR HD2 H 7.083 0.020 1 823 80 80 TYR HE1 H 6.669 0.020 1 824 80 80 TYR HE2 H 6.669 0.020 1 825 80 80 TYR C C 172.444 0.400 1 826 80 80 TYR CA C 58.153 0.400 1 827 80 80 TYR CB C 39.380 0.400 1 828 80 80 TYR CD1 C 133.082 0.400 1 829 80 80 TYR CD2 C 133.082 0.400 1 830 80 80 TYR CE1 C 118.499 0.400 1 831 80 80 TYR CE2 C 118.499 0.400 1 832 80 80 TYR N N 118.828 0.400 1 833 81 81 VAL H H 8.525 0.020 1 834 81 81 VAL HA H 4.278 0.020 1 835 81 81 VAL HB H 2.117 0.020 1 836 81 81 VAL HG1 H 0.943 0.020 2 837 81 81 VAL HG2 H 0.849 0.020 2 838 81 81 VAL C C 171.683 0.400 1 839 81 81 VAL CA C 62.034 0.400 1 840 81 81 VAL CB C 32.538 0.400 1 841 81 81 VAL CG1 C 21.324 0.400 1 842 81 81 VAL CG2 C 21.593 0.400 1 843 81 81 VAL N N 124.216 0.400 1 844 82 82 VAL H H 8.715 0.020 1 845 82 82 VAL HA H 4.044 0.020 1 846 82 82 VAL HB H 1.714 0.020 1 847 82 82 VAL HG1 H 0.823 0.020 2 848 82 82 VAL HG2 H 0.792 0.020 2 849 82 82 VAL C C 173.789 0.400 1 850 82 82 VAL CA C 62.570 0.400 1 851 82 82 VAL CB C 32.708 0.400 1 852 82 82 VAL CG1 C 21.943 0.400 1 853 82 82 VAL CG2 C 20.029 0.400 1 854 82 82 VAL N N 129.543 0.400 1 855 83 83 ASP H H 8.791 0.020 1 856 83 83 ASP HA H 4.710 0.020 1 857 83 83 ASP HB2 H 3.013 0.020 2 858 83 83 ASP HB3 H 2.249 0.020 2 859 83 83 ASP C C 171.858 0.400 1 860 83 83 ASP CA C 51.379 0.400 1 861 83 83 ASP CB C 39.523 0.400 1 862 83 83 ASP N N 129.134 0.400 1 863 84 84 LEU H H 7.844 0.020 1 864 84 84 LEU HA H 4.045 0.020 1 865 84 84 LEU HB2 H 1.708 0.020 1 866 84 84 LEU HB3 H 1.708 0.020 1 867 84 84 LEU HG H 1.717 0.020 1 868 84 84 LEU HD1 H 1.022 0.020 2 869 84 84 LEU HD2 H 0.914 0.020 2 870 84 84 LEU C C 173.009 0.400 1 871 84 84 LEU CA C 57.959 0.400 1 872 84 84 LEU CB C 42.773 0.400 1 873 84 84 LEU CG C 27.270 0.400 1 874 84 84 LEU CD1 C 25.396 0.400 1 875 84 84 LEU CD2 C 24.484 0.400 1 876 84 84 LEU N N 123.975 0.400 1 877 85 85 THR H H 8.119 0.020 1 878 85 85 THR HA H 4.001 0.020 1 879 85 85 THR HB H 4.165 0.020 1 880 85 85 THR HG2 H 1.220 0.020 1 881 85 85 THR C C 175.896 0.400 1 882 85 85 THR CA C 66.321 0.400 1 883 85 85 THR CB C 68.518 0.400 1 884 85 85 THR CG2 C 21.905 0.400 1 885 85 85 THR N N 113.691 0.400 1 886 86 86 SER H H 7.614 0.020 1 887 86 86 SER HA H 4.083 0.020 1 888 86 86 SER HB2 H 3.866 0.020 2 889 86 86 SER HB3 H 3.739 0.020 2 890 86 86 SER C C 174.023 0.400 1 891 86 86 SER CA C 60.684 0.400 1 892 86 86 SER CB C 62.628 0.400 1 893 86 86 SER N N 116.605 0.400 1 894 87 87 PHE H H 8.290 0.020 1 895 87 87 PHE HA H 4.040 0.020 1 896 87 87 PHE HB2 H 3.203 0.020 2 897 87 87 PHE HB3 H 2.977 0.020 2 898 87 87 PHE HD1 H 6.814 0.020 1 899 87 87 PHE HD2 H 6.814 0.020 1 900 87 87 PHE HE1 H 6.634 0.020 1 901 87 87 PHE HE2 H 6.634 0.020 1 902 87 87 PHE C C 173.770 0.400 1 903 87 87 PHE CA C 60.742 0.400 1 904 87 87 PHE CB C 39.569 0.400 1 905 87 87 PHE CD1 C 130.822 0.400 1 906 87 87 PHE CD2 C 130.822 0.400 1 907 87 87 PHE CE1 C 130.764 0.400 1 908 87 87 PHE CE2 C 130.764 0.400 1 909 87 87 PHE N N 117.240 0.400 1 910 88 88 GLU H H 8.775 0.020 1 911 88 88 GLU HA H 3.271 0.020 1 912 88 88 GLU HB2 H 2.205 0.020 2 913 88 88 GLU HB3 H 1.765 0.020 2 914 88 88 GLU HG2 H 1.978 0.020 1 915 88 88 GLU HG3 H 1.978 0.020 1 916 88 88 GLU C C 174.355 0.400 1 917 88 88 GLU CA C 60.116 0.400 1 918 88 88 GLU CB C 28.929 0.400 1 919 88 88 GLU CG C 30.959 0.400 1 920 88 88 GLU N N 116.333 0.400 1 921 89 89 GLN H H 7.823 0.020 1 922 89 89 GLN HA H 3.925 0.020 1 923 89 89 GLN HB2 H 2.228 0.020 2 924 89 89 GLN HB3 H 2.082 0.020 2 925 89 89 GLN HG2 H 2.507 0.020 2 926 89 89 GLN HG3 H 2.385 0.020 2 927 89 89 GLN HE21 H 7.374 0.020 2 928 89 89 GLN HE22 H 6.758 0.020 2 929 89 89 GLN C C 174.648 0.400 1 930 89 89 GLN CA C 58.299 0.400 1 931 89 89 GLN CB C 28.373 0.400 1 932 89 89 GLN CG C 34.242 0.400 1 933 89 89 GLN N N 116.990 0.400 1 934 89 89 GLN NE2 N 111.243 0.400 1 935 90 90 LEU H H 7.242 0.020 1 936 90 90 LEU HA H 4.161 0.020 1 937 90 90 LEU HB2 H 1.453 0.020 2 938 90 90 LEU HB3 H 0.977 0.020 2 939 90 90 LEU HG H 1.538 0.020 1 940 90 90 LEU HD1 H 0.585 0.020 2 941 90 90 LEU HD2 H 0.616 0.020 2 942 90 90 LEU C C 174.297 0.400 1 943 90 90 LEU CA C 55.797 0.400 1 944 90 90 LEU CB C 43.659 0.400 1 945 90 90 LEU CG C 27.185 0.400 1 946 90 90 LEU CD1 C 25.255 0.400 1 947 90 90 LEU CD2 C 23.544 0.400 1 948 90 90 LEU N N 116.877 0.400 1 949 91 91 ALA H H 8.350 0.020 1 950 91 91 ALA HA H 3.610 0.020 1 951 91 91 ALA HB H 0.115 0.020 1 952 91 91 ALA C C 175.467 0.400 1 953 91 91 ALA CA C 53.949 0.400 1 954 91 91 ALA CB C 19.604 0.400 1 955 91 91 ALA N N 118.092 0.400 1 956 92 92 LEU H H 7.218 0.020 1 957 92 92 LEU HA H 4.056 0.020 1 958 92 92 LEU HB2 H 1.289 0.020 1 959 92 92 LEU HB3 H 1.289 0.020 1 960 92 92 LEU HG H 1.754 0.020 1 961 92 92 LEU HD1 H 0.816 0.020 2 962 92 92 LEU HD2 H 0.688 0.020 2 963 92 92 LEU C C 175.837 0.400 1 964 92 92 LEU CA C 58.924 0.400 1 965 92 92 LEU CB C 37.200 0.400 1 966 92 92 LEU CG C 27.300 0.400 1 967 92 92 LEU CD1 C 25.886 0.400 1 968 92 92 LEU CD2 C 21.133 0.400 1 969 92 92 LEU N N 112.671 0.400 1 970 93 93 PRO HA H 4.184 0.020 1 971 93 93 PRO HB2 H 2.330 0.020 2 972 93 93 PRO HB3 H 1.776 0.020 2 973 93 93 PRO HG2 H 2.133 0.020 2 974 93 93 PRO HG3 H 1.815 0.020 2 975 93 93 PRO HD2 H 3.543 0.020 2 976 93 93 PRO HD3 H 3.156 0.020 2 977 93 93 PRO CA C 66.131 0.400 1 978 93 93 PRO CB C 31.474 0.400 1 979 93 93 PRO CG C 28.536 0.400 1 980 93 93 PRO CD C 51.059 0.400 1 981 94 94 VAL H H 6.584 0.020 1 982 94 94 VAL HA H 4.212 0.020 1 983 94 94 VAL HB H 2.404 0.020 1 984 94 94 VAL HG1 H 1.210 0.020 2 985 94 94 VAL HG2 H 1.135 0.020 2 986 94 94 VAL C C 176.384 0.400 1 987 94 94 VAL CA C 63.280 0.400 1 988 94 94 VAL CB C 31.321 0.400 1 989 94 94 VAL CG1 C 20.933 0.400 1 990 94 94 VAL CG2 C 21.795 0.400 1 991 94 94 VAL N N 109.026 0.400 1 992 95 95 LEU H H 7.408 0.020 1 993 95 95 LEU HA H 4.289 0.020 1 994 95 95 LEU HB2 H 1.711 0.020 2 995 95 95 LEU HB3 H 1.568 0.020 2 996 95 95 LEU HG H 1.998 0.020 1 997 95 95 LEU HD1 H 0.954 0.020 2 998 95 95 LEU HD2 H 0.852 0.020 2 999 95 95 LEU C C 174.101 0.400 1 1000 95 95 LEU CA C 56.052 0.400 1 1001 95 95 LEU CB C 42.019 0.400 1 1002 95 95 LEU CG C 27.698 0.400 1 1003 95 95 LEU CD1 C 26.285 0.400 1 1004 95 95 LEU CD2 C 23.926 0.400 1 1005 95 95 LEU N N 119.885 0.400 1 1006 96 96 ARG H H 7.596 0.020 1 1007 96 96 ARG HA H 4.192 0.020 1 1008 96 96 ARG HB2 H 1.839 0.020 2 1009 96 96 ARG HB3 H 1.732 0.020 2 1010 96 96 ARG HG2 H 1.663 0.020 2 1011 96 96 ARG HG3 H 1.598 0.020 2 1012 96 96 ARG HD2 H 3.108 0.020 1 1013 96 96 ARG HD3 H 3.108 0.020 1 1014 96 96 ARG C C 175.252 0.400 1 1015 96 96 ARG CA C 56.807 0.400 1 1016 96 96 ARG CB C 30.582 0.400 1 1017 96 96 ARG CG C 27.220 0.400 1 1018 96 96 ARG CD C 43.628 0.400 1 1019 96 96 ARG N N 118.128 0.400 1 1020 97 97 ASN H H 8.046 0.020 1 1021 97 97 ASN HA H 4.610 0.020 1 1022 97 97 ASN HB2 H 2.720 0.020 2 1023 97 97 ASN HB3 H 2.830 0.020 2 1024 97 97 ASN HD21 H 7.660 0.020 2 1025 97 97 ASN HD22 H 6.871 0.020 2 1026 97 97 ASN C C 173.711 0.400 1 1027 97 97 ASN CA C 53.560 0.400 1 1028 97 97 ASN CB C 38.761 0.400 1 1029 97 97 ASN N N 118.975 0.400 1 1030 97 97 ASN ND2 N 112.577 0.400 1 1031 98 98 ALA H H 8.187 0.020 1 1032 98 98 ALA HA H 4.270 0.020 1 1033 98 98 ALA HB H 1.371 0.020 1 1034 98 98 ALA C C 172.600 0.400 1 1035 98 98 ALA CA C 52.653 0.400 1 1036 98 98 ALA CB C 19.210 0.400 1 1037 98 98 ALA N N 124.561 0.400 1 1038 99 99 ASP H H 8.185 0.020 1 1039 99 99 ASP HA H 4.597 0.020 1 1040 99 99 ASP HB2 H 2.744 0.020 2 1041 99 99 ASP HB3 H 2.673 0.020 2 1042 99 99 ASP C C 174.765 0.400 1 1043 99 99 ASP CA C 54.352 0.400 1 1044 99 99 ASP CB C 41.077 0.400 1 1045 99 99 ASP N N 118.944 0.400 1 1046 100 100 CYS H H 8.197 0.020 1 1047 100 100 CYS HA H 4.538 0.020 1 1048 100 100 CYS HB2 H 2.965 0.020 1 1049 100 100 CYS HB3 H 2.965 0.020 1 1050 100 100 CYS C C 173.337 0.400 1 1051 100 100 CYS CA C 58.570 0.400 1 1052 100 100 CYS CB C 27.879 0.400 1 1053 100 100 CYS N N 119.316 0.400 1 1054 102 102 SER HA H 4.510 0.020 1 1055 102 102 SER HB2 H 3.934 0.020 2 1056 102 102 SER HB3 H 3.880 0.020 2 1057 102 102 SER CA C 58.423 0.400 1 1058 102 102 SER CB C 63.870 0.400 1 1059 103 103 GLY H H 8.154 0.020 1 1060 103 103 GLY HA2 H 4.182 0.020 2 1061 103 103 GLY HA3 H 4.072 0.020 2 1062 103 103 GLY C C 171.916 0.400 1 1063 103 103 GLY CA C 44.845 0.400 1 1064 103 103 GLY N N 110.575 0.400 1 1065 104 104 PRO HA H 4.490 0.020 1 1066 104 104 PRO HB2 H 2.281 0.020 2 1067 104 104 PRO HB3 H 1.988 0.020 2 1068 104 104 PRO HG2 H 2.019 0.020 1 1069 104 104 PRO HG3 H 2.019 0.020 1 1070 104 104 PRO HD2 H 3.696 0.020 1 1071 104 104 PRO HD3 H 3.696 0.020 1 1072 104 104 PRO CA C 63.323 0.400 1 1073 104 104 PRO CB C 32.225 0.400 1 1074 104 104 PRO CG C 26.913 0.400 1 1075 104 104 PRO CD C 50.252 0.400 1 1076 105 105 GLY H H 8.343 0.020 1 1077 105 105 GLY HA2 H 3.953 0.020 1 1078 105 105 GLY HA3 H 3.953 0.020 1 1079 105 105 GLY C C 174.823 0.400 1 1080 105 105 GLY CA C 45.224 0.400 1 1081 105 105 GLY N N 108.769 0.400 1 1082 106 106 GLN H H 8.116 0.020 1 1083 106 106 GLN HA H 4.647 0.020 1 1084 106 106 GLN HB2 H 1.985 0.020 2 1085 106 106 GLN HB3 H 1.912 0.020 2 1086 106 106 GLN HG2 H 2.384 0.020 2 1087 106 106 GLN HG3 H 2.253 0.020 2 1088 106 106 GLN HE21 H 7.352 0.020 2 1089 106 106 GLN HE22 H 6.784 0.020 2 1090 106 106 GLN C C 170.903 0.400 1 1091 106 106 GLN CA C 55.878 0.400 1 1092 106 106 GLN CB C 30.582 0.400 1 1093 106 106 GLN CG C 34.567 0.400 1 1094 106 106 GLN N N 118.960 0.400 1 1095 106 106 GLN NE2 N 110.974 0.400 1 1096 107 107 ARG H H 8.285 0.020 1 1097 107 107 ARG HA H 4.740 0.020 1 1098 107 107 ARG HB2 H 1.807 0.020 1 1099 107 107 ARG HB3 H 1.807 0.020 1 1100 107 107 ARG HG2 H 1.613 0.020 2 1101 107 107 ARG HG3 H 1.415 0.020 2 1102 107 107 ARG HD2 H 3.140 0.020 1 1103 107 107 ARG HD3 H 3.140 0.020 1 1104 107 107 ARG C C 173.087 0.400 1 1105 107 107 ARG CA C 54.701 0.400 1 1106 107 107 ARG CB C 32.405 0.400 1 1107 107 107 ARG CG C 27.009 0.400 1 1108 107 107 ARG CD C 43.695 0.400 1 1109 107 107 ARG N N 120.155 0.400 1 1110 108 108 VAL H H 8.552 0.020 1 1111 108 108 VAL HA H 5.150 0.020 1 1112 108 108 VAL HB H 1.971 0.020 1 1113 108 108 VAL HG1 H 0.871 0.020 2 1114 108 108 VAL HG2 H 0.740 0.020 2 1115 108 108 VAL C C 171.332 0.400 1 1116 108 108 VAL CA C 60.320 0.400 1 1117 108 108 VAL CB C 33.473 0.400 1 1118 108 108 VAL CG1 C 20.831 0.400 1 1119 108 108 VAL CG2 C 22.172 0.400 1 1120 108 108 VAL N N 121.632 0.400 1 1121 109 109 CYS H H 9.347 0.020 1 1122 109 109 CYS HA H 5.172 0.020 1 1123 109 109 CYS HB2 H 2.582 0.020 2 1124 109 109 CYS HB3 H 2.336 0.020 2 1125 109 109 CYS C C 172.326 0.400 1 1126 109 109 CYS CA C 56.573 0.400 1 1127 109 109 CYS CB C 28.885 0.400 1 1128 109 109 CYS N N 129.889 0.400 1 1129 110 110 VAL H H 9.664 0.020 1 1130 110 110 VAL HA H 5.240 0.020 1 1131 110 110 VAL HB H 1.711 0.020 1 1132 110 110 VAL HG1 H 0.825 0.020 2 1133 110 110 VAL HG2 H 0.780 0.020 2 1134 110 110 VAL C C 170.512 0.400 1 1135 110 110 VAL CA C 61.108 0.400 1 1136 110 110 VAL CB C 32.955 0.400 1 1137 110 110 VAL CG1 C 22.298 0.400 1 1138 110 110 VAL CG2 C 21.193 0.400 1 1139 110 110 VAL N N 131.459 0.400 1 1140 111 111 ILE H H 8.038 0.020 1 1141 111 111 ILE HA H 3.603 0.020 1 1142 111 111 ILE HB H 1.688 0.020 1 1143 111 111 ILE HG12 H 1.533 0.020 1 1144 111 111 ILE HG13 H 1.533 0.020 1 1145 111 111 ILE HG2 H 0.861 0.020 1 1146 111 111 ILE HD1 H 0.803 0.020 1 1147 111 111 ILE C C 173.321 0.400 1 1148 111 111 ILE CA C 60.447 0.400 1 1149 111 111 ILE CB C 40.511 0.400 1 1150 111 111 ILE CG1 C 26.589 0.400 1 1151 111 111 ILE CG2 C 19.053 0.400 1 1152 111 111 ILE CD1 C 14.557 0.400 1 1153 111 111 ILE N N 124.096 0.400 1 1154 112 112 ASP H H 7.022 0.020 1 1155 112 112 ASP HA H 5.670 0.020 1 1156 112 112 ASP HB2 H 2.897 0.020 2 1157 112 112 ASP HB3 H 2.339 0.020 2 1158 112 112 ASP C C 170.161 0.400 1 1159 112 112 ASP CA C 47.022 0.400 1 1160 112 112 ASP CB C 42.996 0.400 1 1161 112 112 ASP N N 126.418 0.400 1 1162 114 114 ILE HA H 4.175 0.020 1 1163 114 114 ILE HB H 2.276 0.020 1 1164 114 114 ILE HG12 H 2.024 0.020 1 1165 114 114 ILE HG13 H 2.024 0.020 1 1166 114 114 ILE HG2 H 0.859 0.020 1 1167 114 114 ILE HD1 H 0.958 0.020 1 1168 114 114 ILE CA C 61.036 0.400 1 1169 114 114 ILE CB C 35.574 0.400 1 1170 114 114 ILE CG1 C 27.380 0.400 1 1171 114 114 ILE CG2 C 18.941 0.400 1 1172 114 114 ILE CD1 C 14.705 0.400 1 1173 115 115 GLY H H 6.866 0.020 1 1174 115 115 GLY HA2 H 4.400 0.020 2 1175 115 115 GLY HA3 H 3.686 0.020 2 1176 115 115 GLY C C 170.259 0.400 1 1177 115 115 GLY CA C 43.175 0.400 1 1178 115 115 GLY N N 106.731 0.400 1 1179 116 116 LYS H H 8.407 0.020 1 1180 116 116 LYS HA H 3.789 0.020 1 1181 116 116 LYS C C 170.727 0.400 1 1182 116 116 LYS CA C 60.142 0.400 1 1183 116 116 LYS N N 117.563 0.400 1 1184 117 117 MET HA H 3.603 0.020 1 1185 117 117 MET HB2 H 2.262 0.020 1 1186 117 117 MET HB3 H 2.262 0.020 1 1187 117 117 MET HG2 H 1.025 0.020 2 1188 117 117 MET HG3 H 0.974 0.020 2 1189 117 117 MET HE H 2.036 0.020 1 1190 117 117 MET CA C 63.199 0.400 1 1191 117 117 MET CB C 31.521 0.400 1 1192 117 117 MET CG C 20.461 0.400 1 1193 117 117 MET CE C 17.051 0.400 1 1194 118 118 GLU H H 8.365 0.020 1 1195 118 118 GLU HA H 3.555 0.020 1 1196 118 118 GLU HB2 H 1.709 0.020 1 1197 118 118 GLU HB3 H 1.709 0.020 1 1198 118 118 GLU HG2 H 1.310 0.020 1 1199 118 118 GLU HG3 H 1.310 0.020 1 1200 118 118 GLU C C 175.545 0.400 1 1201 118 118 GLU CA C 60.116 0.400 1 1202 118 118 GLU CB C 33.341 0.400 1 1203 118 118 GLU CG C 25.548 0.400 1 1204 118 118 GLU N N 112.540 0.400 1 1205 119 119 LEU H H 7.756 0.020 1 1206 119 119 LEU HA H 4.142 0.020 1 1207 119 119 LEU HB2 H 1.688 0.020 1 1208 119 119 LEU HB3 H 1.688 0.020 1 1209 119 119 LEU HG H 1.958 0.020 1 1210 119 119 LEU HD1 H 0.892 0.020 2 1211 119 119 LEU HD2 H 0.815 0.020 2 1212 119 119 LEU C C 175.389 0.400 1 1213 119 119 LEU CA C 55.913 0.400 1 1214 119 119 LEU CB C 40.448 0.400 1 1215 119 119 LEU CG C 27.691 0.400 1 1216 119 119 LEU CD1 C 16.932 0.400 1 1217 119 119 LEU CD2 C 25.736 0.400 1 1218 119 119 LEU N N 114.591 0.400 1 1219 120 120 PHE H H 7.055 0.020 1 1220 120 120 PHE HA H 4.432 0.020 1 1221 120 120 PHE HB2 H 3.360 0.020 2 1222 120 120 PHE HB3 H 2.873 0.020 2 1223 120 120 PHE HD1 H 7.584 0.020 1 1224 120 120 PHE HD2 H 7.584 0.020 1 1225 120 120 PHE HE1 H 7.218 0.020 1 1226 120 120 PHE HE2 H 7.218 0.020 1 1227 120 120 PHE HZ H 7.330 0.020 1 1228 120 120 PHE C C 174.375 0.400 1 1229 120 120 PHE CA C 60.900 0.400 1 1230 120 120 PHE CB C 40.008 0.400 1 1231 120 120 PHE CD1 C 132.377 0.400 1 1232 120 120 PHE CD2 C 132.377 0.400 1 1233 120 120 PHE CE1 C 131.292 0.400 1 1234 120 120 PHE CE2 C 131.292 0.400 1 1235 120 120 PHE CZ C 129.942 0.400 1 1236 120 120 PHE N N 115.375 0.400 1 1237 121 121 SER H H 7.934 0.020 1 1238 121 121 SER HA H 4.736 0.020 1 1239 121 121 SER HB2 H 3.995 0.020 2 1240 121 121 SER HB3 H 4.565 0.020 2 1241 121 121 SER C C 173.945 0.400 1 1242 121 121 SER CA C 56.724 0.400 1 1243 121 121 SER CB C 61.294 0.400 1 1244 121 121 SER N N 112.610 0.400 1 1245 122 122 GLN H H 8.803 0.020 1 1246 122 122 GLN HA H 4.155 0.020 1 1247 122 122 GLN HB2 H 2.153 0.020 1 1248 122 122 GLN HB3 H 2.153 0.020 1 1249 122 122 GLN HG2 H 2.525 0.020 1 1250 122 122 GLN HG3 H 2.525 0.020 1 1251 122 122 GLN HE21 H 7.562 0.020 2 1252 122 122 GLN HE22 H 6.827 0.020 2 1253 122 122 GLN C C 172.112 0.400 1 1254 122 122 GLN CA C 58.562 0.400 1 1255 122 122 GLN CB C 28.223 0.400 1 1256 122 122 GLN CG C 33.872 0.400 1 1257 122 122 GLN N N 131.204 0.400 1 1258 123 123 LEU H H 8.404 0.020 1 1259 123 123 LEU HA H 4.075 0.020 1 1260 123 123 LEU HB2 H 1.627 0.020 2 1261 123 123 LEU HB3 H 1.422 0.020 2 1262 123 123 LEU HG H 1.793 0.020 1 1263 123 123 LEU HD1 H 0.877 0.020 2 1264 123 123 LEU HD2 H 0.877 0.020 2 1265 123 123 LEU C C 176.813 0.400 1 1266 123 123 LEU CA C 57.695 0.400 1 1267 123 123 LEU CB C 42.201 0.400 1 1268 123 123 LEU CG C 27.182 0.400 1 1269 123 123 LEU CD1 C 25.224 0.400 1 1270 123 123 LEU CD2 C 21.185 0.400 1 1271 123 123 LEU N N 119.737 0.400 1 1272 124 124 PHE H H 8.850 0.020 1 1273 124 124 PHE HA H 4.088 0.020 1 1274 124 124 PHE HB2 H 3.185 0.020 1 1275 124 124 PHE HB3 H 3.185 0.020 1 1276 124 124 PHE HD1 H 7.077 0.020 1 1277 124 124 PHE HD2 H 7.077 0.020 1 1278 124 124 PHE HE1 H 7.261 0.020 1 1279 124 124 PHE HE2 H 7.261 0.020 1 1280 124 124 PHE C C 177.573 0.400 1 1281 124 124 PHE CA C 61.065 0.400 1 1282 124 124 PHE CB C 39.422 0.400 1 1283 124 124 PHE CD1 C 132.495 0.400 1 1284 124 124 PHE CD2 C 132.495 0.400 1 1285 124 124 PHE CE1 C 129.355 0.400 1 1286 124 124 PHE CE2 C 129.355 0.400 1 1287 124 124 PHE N N 122.744 0.400 1 1288 125 125 ILE H H 7.901 0.020 1 1289 125 125 ILE HA H 3.127 0.020 1 1290 125 125 ILE HB H 1.973 0.020 1 1291 125 125 ILE HG12 H 2.085 0.020 1 1292 125 125 ILE HG13 H 2.085 0.020 1 1293 125 125 ILE HG2 H 0.890 0.020 1 1294 125 125 ILE HD1 H 1.043 0.020 1 1295 125 125 ILE C C 173.282 0.400 1 1296 125 125 ILE CA C 66.490 0.400 1 1297 125 125 ILE CB C 38.452 0.400 1 1298 125 125 ILE CG1 C 30.195 0.400 1 1299 125 125 ILE CG2 C 16.968 0.400 1 1300 125 125 ILE CD1 C 13.832 0.400 1 1301 125 125 ILE N N 119.707 0.400 1 1302 126 126 GLN H H 7.924 0.020 1 1303 126 126 GLN HA H 3.936 0.020 1 1304 126 126 GLN HB2 H 2.112 0.020 1 1305 126 126 GLN HB3 H 2.112 0.020 1 1306 126 126 GLN HG2 H 2.504 0.020 2 1307 126 126 GLN HG3 H 2.400 0.020 2 1308 126 126 GLN HE21 H 7.461 0.020 2 1309 126 126 GLN HE22 H 6.831 0.020 2 1310 126 126 GLN C C 175.057 0.400 1 1311 126 126 GLN CA C 58.767 0.400 1 1312 126 126 GLN CB C 28.318 0.400 1 1313 126 126 GLN CG C 33.790 0.400 1 1314 126 126 GLN N N 116.589 0.400 1 1315 126 126 GLN NE2 N 111.326 0.400 1 1316 127 127 ALA H H 8.144 0.020 1 1317 127 127 ALA HA H 4.166 0.020 1 1318 127 127 ALA HB H 1.410 0.020 1 1319 127 127 ALA C C 175.837 0.400 1 1320 127 127 ALA CA C 54.778 0.400 1 1321 127 127 ALA CB C 18.705 0.400 1 1322 127 127 ALA N N 122.404 0.400 1 1323 128 128 VAL H H 8.709 0.020 1 1324 128 128 VAL HA H 3.173 0.020 1 1325 128 128 VAL HB H 1.767 0.020 1 1326 128 128 VAL HG1 H 0.622 0.020 2 1327 128 128 VAL HG2 H 0.159 0.020 2 1328 128 128 VAL C C 178.646 0.400 1 1329 128 128 VAL CA C 67.577 0.400 1 1330 128 128 VAL CB C 30.790 0.400 1 1331 128 128 VAL CG1 C 21.497 0.400 1 1332 128 128 VAL CG2 C 23.282 0.400 1 1333 128 128 VAL N N 122.450 0.400 1 1334 129 129 ARG H H 8.182 0.020 1 1335 129 129 ARG HA H 3.747 0.020 1 1336 129 129 ARG HB2 H 1.814 0.020 2 1337 129 129 ARG HB3 H 1.370 0.020 2 1338 129 129 ARG HD2 H 3.077 0.020 1 1339 129 129 ARG HD3 H 3.077 0.020 1 1340 129 129 ARG C C 175.057 0.400 1 1341 129 129 ARG CA C 61.213 0.400 1 1342 129 129 ARG CB C 29.451 0.400 1 1343 129 129 ARG CD C 43.311 0.400 1 1344 129 129 ARG N N 118.356 0.400 1 1345 130 130 GLN H H 8.214 0.020 1 1346 130 130 GLN HA H 4.029 0.020 1 1347 130 130 GLN HB2 H 2.174 0.020 2 1348 130 130 GLN HB3 H 2.094 0.020 2 1349 130 130 GLN HG2 H 2.392 0.020 2 1350 130 130 GLN HG3 H 2.330 0.020 2 1351 130 130 GLN HE21 H 7.112 0.020 2 1352 130 130 GLN HE22 H 6.592 0.020 2 1353 130 130 GLN C C 176.930 0.400 1 1354 130 130 GLN CA C 58.855 0.400 1 1355 130 130 GLN CB C 28.331 0.400 1 1356 130 130 GLN CG C 33.815 0.400 1 1357 130 130 GLN N N 118.410 0.400 1 1358 130 130 GLN NE2 N 109.505 0.400 1 1359 131 131 THR H H 8.375 0.020 1 1360 131 131 THR HA H 3.909 0.020 1 1361 131 131 THR HB H 4.164 0.020 1 1362 131 131 THR HG2 H 1.226 0.020 1 1363 131 131 THR C C 177.008 0.400 1 1364 131 131 THR CA C 67.723 0.400 1 1365 131 131 THR CB C 68.504 0.400 1 1366 131 131 THR CG2 C 22.490 0.400 1 1367 131 131 THR N N 120.509 0.400 1 1368 132 132 LEU H H 8.197 0.020 1 1369 132 132 LEU HA H 3.793 0.020 1 1370 132 132 LEU HB2 H 1.867 0.020 2 1371 132 132 LEU HB3 H 1.297 0.020 2 1372 132 132 LEU HG H 1.472 0.020 1 1373 132 132 LEU HD1 H 0.581 0.020 2 1374 132 132 LEU HD2 H 0.220 0.020 2 1375 132 132 LEU CA C 56.949 0.400 1 1376 132 132 LEU CB C 42.662 0.400 1 1377 132 132 LEU CG C 26.288 0.400 1 1378 132 132 LEU CD1 C 26.097 0.400 1 1379 132 132 LEU CD2 C 22.832 0.400 1 1380 132 132 LEU N N 119.272 0.400 1 1381 133 133 SER H H 7.244 0.020 1 1382 133 133 SER HA H 4.708 0.020 1 1383 133 133 SER HB2 H 4.056 0.020 2 1384 133 133 SER HB3 H 3.969 0.020 2 1385 133 133 SER C C 175.545 0.400 1 1386 133 133 SER CA C 57.869 0.400 1 1387 133 133 SER CB C 64.355 0.400 1 1388 133 133 SER N N 110.556 0.400 1 1389 134 134 THR H H 7.765 0.020 1 1390 134 134 THR HA H 4.667 0.020 1 1391 134 134 THR HB H 4.377 0.020 1 1392 134 134 THR HG2 H 1.314 0.020 1 1393 134 134 THR C C 171.644 0.400 1 1394 134 134 THR CA C 60.818 0.400 1 1395 134 134 THR CB C 70.420 0.400 1 1396 134 134 THR CG2 C 20.768 0.400 1 1397 134 134 THR N N 120.415 0.400 1 1398 135 135 PRO HA H 4.408 0.020 1 1399 135 135 PRO HB2 H 2.356 0.020 2 1400 135 135 PRO HB3 H 1.939 0.020 2 1401 135 135 PRO HG2 H 2.135 0.020 2 1402 135 135 PRO HG3 H 2.047 0.020 2 1403 135 135 PRO HD2 H 4.180 0.020 2 1404 135 135 PRO HD3 H 3.848 0.020 2 1405 135 135 PRO CA C 63.958 0.400 1 1406 135 135 PRO CB C 32.063 0.400 1 1407 135 135 PRO CG C 27.559 0.400 1 1408 135 135 PRO CD C 51.400 0.400 1 1409 136 136 GLY H H 8.671 0.020 1 1410 136 136 GLY HA2 H 4.266 0.020 2 1411 136 136 GLY HA3 H 3.882 0.020 2 1412 136 136 GLY CA C 46.012 0.400 1 1413 136 136 GLY N N 109.726 0.400 1 1414 137 137 THR H H 7.662 0.020 1 1415 137 137 THR HA H 4.912 0.020 1 1416 137 137 THR HB H 4.100 0.020 1 1417 137 137 THR HG2 H 1.059 0.020 1 1418 137 137 THR C C 170.883 0.400 1 1419 137 137 THR CA C 62.310 0.400 1 1420 137 137 THR CB C 70.923 0.400 1 1421 137 137 THR CG2 C 23.013 0.400 1 1422 137 137 THR N N 116.156 0.400 1 1423 138 138 ILE H H 8.882 0.020 1 1424 138 138 ILE HA H 4.500 0.020 1 1425 138 138 ILE HB H 1.765 0.020 1 1426 138 138 ILE HG12 H 1.451 0.020 2 1427 138 138 ILE HG13 H 1.049 0.020 2 1428 138 138 ILE HG2 H 0.888 0.020 1 1429 138 138 ILE HD1 H 0.678 0.020 1 1430 138 138 ILE C C 170.356 0.400 1 1431 138 138 ILE CA C 59.316 0.400 1 1432 138 138 ILE CB C 41.265 0.400 1 1433 138 138 ILE CG1 C 27.498 0.400 1 1434 138 138 ILE CG2 C 17.307 0.400 1 1435 138 138 ILE CD1 C 14.392 0.400 1 1436 138 138 ILE N N 128.601 0.400 1 1437 139 139 ILE H H 11.688 0.020 1 1438 139 139 ILE HA H 4.837 0.020 1 1439 139 139 ILE HB H 1.604 0.020 1 1440 139 139 ILE HG12 H 0.761 0.020 1 1441 139 139 ILE HG13 H 0.761 0.020 1 1442 139 139 ILE HG2 H 0.564 0.020 1 1443 139 139 ILE HD1 H 0.501 0.020 1 1444 139 139 ILE C C 172.268 0.400 1 1445 139 139 ILE CA C 61.073 0.400 1 1446 139 139 ILE CB C 38.265 0.400 1 1447 139 139 ILE CG1 C 28.533 0.400 1 1448 139 139 ILE CG2 C 17.322 0.400 1 1449 139 139 ILE CD1 C 13.253 0.400 1 1450 139 139 ILE N N 131.670 0.400 1 1451 140 140 LEU H H 8.025 0.020 1 1452 140 140 LEU HA H 5.300 0.020 1 1453 140 140 LEU HB2 H 1.541 0.020 2 1454 140 140 LEU HB3 H 0.835 0.020 2 1455 140 140 LEU HG H 1.331 0.020 1 1456 140 140 LEU HD1 H 0.580 0.020 2 1457 140 140 LEU HD2 H 0.547 0.020 2 1458 140 140 LEU C C 171.137 0.400 1 1459 140 140 LEU CA C 52.246 0.400 1 1460 140 140 LEU CB C 44.056 0.400 1 1461 140 140 LEU CG C 27.059 0.400 1 1462 140 140 LEU CD1 C 25.653 0.400 1 1463 140 140 LEU CD2 C 22.904 0.400 1 1464 140 140 LEU N N 128.642 0.400 1 1465 141 141 GLY H H 8.428 0.020 1 1466 141 141 GLY HA2 H 4.954 0.020 2 1467 141 141 GLY HA3 H 3.315 0.020 2 1468 141 141 GLY C C 172.131 0.400 1 1469 141 141 GLY CA C 44.761 0.400 1 1470 141 141 GLY N N 111.023 0.400 1 1471 142 142 THR H H 8.145 0.020 1 1472 142 142 THR HA H 5.758 0.020 1 1473 142 142 THR HB H 4.051 0.020 1 1474 142 142 THR HG2 H 1.146 0.020 1 1475 142 142 THR C C 169.966 0.400 1 1476 142 142 THR CA C 59.366 0.400 1 1477 142 142 THR CB C 71.164 0.400 1 1478 142 142 THR CG2 C 24.508 0.400 1 1479 142 142 THR N N 110.186 0.400 1 1480 143 143 ILE H H 8.698 0.020 1 1481 143 143 ILE HA H 5.120 0.020 1 1482 143 143 ILE HB H 1.939 0.020 1 1483 143 143 ILE HG12 H 1.596 0.020 2 1484 143 143 ILE HG13 H 1.019 0.020 2 1485 143 143 ILE HG2 H 1.008 0.020 1 1486 143 143 ILE HD1 H 0.537 0.020 1 1487 143 143 ILE C C 171.176 0.400 1 1488 143 143 ILE CA C 57.164 0.400 1 1489 143 143 ILE CB C 41.023 0.400 1 1490 143 143 ILE CG1 C 24.843 0.400 1 1491 143 143 ILE CG2 C 19.344 0.400 1 1492 143 143 ILE CD1 C 12.554 0.400 1 1493 143 143 ILE N N 115.140 0.400 1 1494 144 144 PRO HA H 4.792 0.020 1 1495 144 144 PRO HB2 H 2.378 0.020 2 1496 144 144 PRO HB3 H 2.075 0.020 2 1497 144 144 PRO HG2 H 2.033 0.020 2 1498 144 144 PRO HG3 H 1.946 0.020 2 1499 144 144 PRO HD2 H 3.789 0.020 1 1500 144 144 PRO HD3 H 3.789 0.020 1 1501 144 144 PRO CA C 61.539 0.400 1 1502 144 144 PRO CB C 32.624 0.400 1 1503 144 144 PRO CG C 27.072 0.400 1 1504 144 144 PRO CD C 51.371 0.400 1 1505 145 145 VAL H H 7.728 0.020 1 1506 145 145 VAL HA H 4.387 0.020 1 1507 145 145 VAL HB H 2.118 0.020 1 1508 145 145 VAL HG1 H 0.949 0.020 2 1509 145 145 VAL HG2 H 0.892 0.020 2 1510 145 145 VAL C C 174.004 0.400 1 1511 145 145 VAL CA C 59.769 0.400 1 1512 145 145 VAL CB C 31.161 0.400 1 1513 145 145 VAL CG1 C 21.218 0.400 1 1514 145 145 VAL CG2 C 19.419 0.400 1 1515 145 145 VAL N N 115.802 0.400 1 1516 146 146 PRO HA H 4.375 0.020 1 1517 146 146 PRO HB2 H 2.133 0.020 2 1518 146 146 PRO HB3 H 1.893 0.020 2 1519 146 146 PRO HG2 H 2.028 0.020 2 1520 146 146 PRO HG3 H 1.913 0.020 2 1521 146 146 PRO HD2 H 3.747 0.020 2 1522 146 146 PRO HD3 H 3.621 0.020 2 1523 146 146 PRO CA C 63.471 0.400 1 1524 146 146 PRO CB C 31.148 0.400 1 1525 146 146 PRO CG C 27.361 0.400 1 1526 146 146 PRO CD C 50.611 0.400 1 1527 147 147 LYS H H 8.212 0.020 1 1528 147 147 LYS HA H 4.295 0.020 1 1529 147 147 LYS HB2 H 1.755 0.020 1 1530 147 147 LYS HB3 H 1.755 0.020 1 1531 147 147 LYS HG2 H 1.396 0.020 2 1532 147 147 LYS HG3 H 1.335 0.020 2 1533 147 147 LYS HD2 H 1.671 0.020 1 1534 147 147 LYS HD3 H 1.671 0.020 1 1535 147 147 LYS HE2 H 3.018 0.020 1 1536 147 147 LYS HE3 H 3.018 0.020 1 1537 147 147 LYS C C 173.575 0.400 1 1538 147 147 LYS CA C 56.368 0.400 1 1539 147 147 LYS CB C 33.646 0.400 1 1540 147 147 LYS CG C 24.595 0.400 1 1541 147 147 LYS CD C 29.369 0.400 1 1542 147 147 LYS CE C 43.466 0.400 1 1543 147 147 LYS N N 124.133 0.400 1 1544 148 148 GLY HA2 H 4.073 0.020 2 1545 148 148 GLY HA3 H 3.691 0.020 2 1546 148 148 GLY CA C 44.910 0.400 1 1547 149 149 LYS H H 8.273 0.020 1 1548 149 149 LYS HA H 4.429 0.020 1 1549 149 149 LYS HB2 H 1.753 0.020 2 1550 149 149 LYS HB3 H 1.712 0.020 2 1551 149 149 LYS HG2 H 1.500 0.020 2 1552 149 149 LYS HG3 H 1.469 0.020 2 1553 149 149 LYS HD2 H 1.686 0.020 1 1554 149 149 LYS HD3 H 1.686 0.020 1 1555 149 149 LYS HE2 H 3.006 0.020 1 1556 149 149 LYS HE3 H 3.006 0.020 1 1557 149 149 LYS C C 173.399 0.400 1 1558 149 149 LYS CA C 54.588 0.400 1 1559 149 149 LYS CB C 32.261 0.400 1 1560 149 149 LYS CG C 24.504 0.400 1 1561 149 149 LYS CD C 29.353 0.400 1 1562 149 149 LYS CE C 42.175 0.400 1 1563 149 149 LYS N N 125.236 0.400 1 1564 150 150 PRO HA H 4.395 0.020 1 1565 150 150 PRO HB2 H 2.140 0.020 2 1566 150 150 PRO HB3 H 1.695 0.020 2 1567 150 150 PRO HG2 H 2.020 0.020 1 1568 150 150 PRO HG3 H 2.020 0.020 1 1569 150 150 PRO HD2 H 3.844 0.020 2 1570 150 150 PRO HD3 H 3.600 0.020 2 1571 150 150 PRO CA C 62.883 0.400 1 1572 150 150 PRO CB C 32.279 0.400 1 1573 150 150 PRO CG C 27.278 0.400 1 1574 150 150 PRO CD C 50.733 0.400 1 1575 151 151 LEU H H 8.935 0.020 1 1576 151 151 LEU HA H 4.454 0.020 1 1577 151 151 LEU HB2 H 1.754 0.020 2 1578 151 151 LEU HB3 H 1.211 0.020 2 1579 151 151 LEU HG H 1.522 0.020 1 1580 151 151 LEU HD1 H 0.859 0.020 2 1581 151 151 LEU HD2 H 0.804 0.020 2 1582 151 151 LEU C C 174.219 0.400 1 1583 151 151 LEU CA C 53.259 0.400 1 1584 151 151 LEU CB C 41.540 0.400 1 1585 151 151 LEU CG C 26.851 0.400 1 1586 151 151 LEU CD1 C 25.935 0.400 1 1587 151 151 LEU CD2 C 23.196 0.400 1 1588 151 151 LEU N N 124.772 0.400 1 1589 152 152 ALA H H 8.384 0.020 1 1590 152 152 ALA HA H 3.944 0.020 1 1591 152 152 ALA HB H 1.418 0.020 1 1592 152 152 ALA C C 170.747 0.400 1 1593 152 152 ALA CA C 56.315 0.400 1 1594 152 152 ALA CB C 17.879 0.400 1 1595 152 152 ALA N N 119.117 0.400 1 1596 153 153 LEU HA H 4.028 0.020 1 1597 153 153 LEU HB2 H 1.529 0.020 1 1598 153 153 LEU HB3 H 1.529 0.020 1 1599 153 153 LEU HG H 1.479 0.020 1 1600 153 153 LEU HD1 H 0.758 0.020 2 1601 153 153 LEU HD2 H 0.758 0.020 2 1602 153 153 LEU CA C 57.667 0.400 1 1603 153 153 LEU CB C 41.956 0.400 1 1604 153 153 LEU CG C 26.884 0.400 1 1605 153 153 LEU CD1 C 22.915 0.400 1 1606 153 153 LEU CD2 C 22.915 0.400 1 1607 154 154 VAL H H 6.634 0.020 1 1608 154 154 VAL HA H 3.192 0.020 1 1609 154 154 VAL HB H 2.250 0.020 1 1610 154 154 VAL HG1 H 0.991 0.020 2 1611 154 154 VAL HG2 H 0.877 0.020 2 1612 154 154 VAL C C 175.525 0.400 1 1613 154 154 VAL CA C 66.750 0.400 1 1614 154 154 VAL CB C 31.183 0.400 1 1615 154 154 VAL CG1 C 23.928 0.400 1 1616 154 154 VAL CG2 C 22.045 0.400 1 1617 154 154 VAL N N 116.380 0.400 1 1618 155 155 GLU H H 7.841 0.020 1 1619 155 155 GLU HA H 3.984 0.020 1 1620 155 155 GLU HB2 H 1.990 0.020 2 1621 155 155 GLU HB3 H 1.839 0.020 2 1622 155 155 GLU HG2 H 2.253 0.020 1 1623 155 155 GLU HG3 H 2.253 0.020 1 1624 155 155 GLU C C 176.442 0.400 1 1625 155 155 GLU CA C 57.992 0.400 1 1626 155 155 GLU CB C 28.474 0.400 1 1627 155 155 GLU CG C 35.917 0.400 1 1628 155 155 GLU N N 117.046 0.400 1 1629 156 156 GLU H H 8.003 0.020 1 1630 156 156 GLU HA H 3.906 0.020 1 1631 156 156 GLU HB2 H 2.127 0.020 2 1632 156 156 GLU HB3 H 2.081 0.020 2 1633 156 156 GLU HG2 H 2.285 0.020 2 1634 156 156 GLU HG3 H 1.965 0.020 2 1635 156 156 GLU C C 176.111 0.400 1 1636 156 156 GLU CA C 59.072 0.400 1 1637 156 156 GLU CB C 29.518 0.400 1 1638 156 156 GLU CG C 35.908 0.400 1 1639 156 156 GLU N N 119.671 0.400 1 1640 157 157 ILE H H 7.816 0.020 1 1641 157 157 ILE HA H 3.082 0.020 1 1642 157 157 ILE HB H 1.589 0.020 1 1643 157 157 ILE HG12 H 1.666 0.020 1 1644 157 157 ILE HG13 H 1.666 0.020 1 1645 157 157 ILE HG2 H -0.204 0.020 1 1646 157 157 ILE HD1 H 0.416 0.020 1 1647 157 157 ILE C C 177.105 0.400 1 1648 157 157 ILE CA C 66.292 0.400 1 1649 157 157 ILE CB C 37.809 0.400 1 1650 157 157 ILE CG1 C 30.194 0.400 1 1651 157 157 ILE CG2 C 16.642 0.400 1 1652 157 157 ILE CD1 C 14.065 0.400 1 1653 157 157 ILE N N 119.634 0.400 1 1654 158 158 ARG H H 8.096 0.020 1 1655 158 158 ARG HA H 3.465 0.020 1 1656 158 158 ARG HB2 H 1.733 0.020 2 1657 158 158 ARG HB3 H 1.587 0.020 2 1658 158 158 ARG HG2 H 1.606 0.020 2 1659 158 158 ARG HG3 H 1.454 0.020 2 1660 158 158 ARG C C 174.336 0.400 1 1661 158 158 ARG CA C 58.913 0.400 1 1662 158 158 ARG CB C 30.716 0.400 1 1663 158 158 ARG CG C 27.473 0.400 1 1664 158 158 ARG N N 115.505 0.400 1 1665 159 159 ASN H H 7.244 0.020 1 1666 159 159 ASN HA H 4.701 0.020 1 1667 159 159 ASN HB2 H 2.869 0.020 2 1668 159 159 ASN HB3 H 2.599 0.020 2 1669 159 159 ASN HD21 H 7.598 0.020 2 1670 159 159 ASN HD22 H 7.008 0.020 2 1671 159 159 ASN C C 174.394 0.400 1 1672 159 159 ASN CA C 53.061 0.400 1 1673 159 159 ASN CB C 40.134 0.400 1 1674 159 159 ASN N N 112.671 0.400 1 1675 159 159 ASN ND2 N 114.634 0.400 1 1676 160 160 ARG H H 7.534 0.020 1 1677 160 160 ARG HA H 4.182 0.020 1 1678 160 160 ARG HB2 H 1.989 0.020 1 1679 160 160 ARG HB3 H 1.989 0.020 1 1680 160 160 ARG HG2 H 2.290 0.020 2 1681 160 160 ARG HG3 H 1.563 0.020 2 1682 160 160 ARG HD2 H 3.464 0.020 2 1683 160 160 ARG HD3 H 2.789 0.020 2 1684 160 160 ARG C C 172.873 0.400 1 1685 160 160 ARG CA C 57.728 0.400 1 1686 160 160 ARG CB C 32.461 0.400 1 1687 160 160 ARG CG C 29.458 0.400 1 1688 160 160 ARG CD C 43.767 0.400 1 1689 160 160 ARG N N 122.404 0.400 1 1690 161 161 LYS H H 8.847 0.020 1 1691 161 161 LYS HA H 4.312 0.020 1 1692 161 161 LYS HB2 H 1.983 0.020 2 1693 161 161 LYS HB3 H 1.827 0.020 2 1694 161 161 LYS HG2 H 1.576 0.020 2 1695 161 161 LYS HG3 H 1.544 0.020 2 1696 161 161 LYS HD2 H 1.709 0.020 1 1697 161 161 LYS HD3 H 1.709 0.020 1 1698 161 161 LYS HE2 H 3.028 0.020 1 1699 161 161 LYS HE3 H 3.028 0.020 1 1700 161 161 LYS C C 174.160 0.400 1 1701 161 161 LYS CA C 57.072 0.400 1 1702 161 161 LYS CB C 32.156 0.400 1 1703 161 161 LYS CG C 25.021 0.400 1 1704 161 161 LYS CD C 28.655 0.400 1 1705 161 161 LYS CE C 42.223 0.400 1 1706 161 161 LYS N N 120.084 0.400 1 1707 162 162 ASP H H 8.365 0.020 1 1708 162 162 ASP HA H 4.694 0.020 1 1709 162 162 ASP HB2 H 3.179 0.020 2 1710 162 162 ASP HB3 H 2.569 0.020 2 1711 162 162 ASP C C 174.433 0.400 1 1712 162 162 ASP CA C 52.799 0.400 1 1713 162 162 ASP CB C 39.883 0.400 1 1714 162 162 ASP N N 116.644 0.400 1 1715 163 163 VAL H H 7.154 0.020 1 1716 163 163 VAL HA H 4.850 0.020 1 1717 163 163 VAL HB H 2.143 0.020 1 1718 163 163 VAL HG1 H 1.073 0.020 2 1719 163 163 VAL HG2 H 0.934 0.020 2 1720 163 163 VAL C C 171.936 0.400 1 1721 163 163 VAL CA C 60.373 0.400 1 1722 163 163 VAL CB C 35.110 0.400 1 1723 163 163 VAL CG1 C 21.337 0.400 1 1724 163 163 VAL CG2 C 22.700 0.400 1 1725 163 163 VAL N N 116.686 0.400 1 1726 164 164 LYS H H 8.707 0.020 1 1727 164 164 LYS HA H 4.589 0.020 1 1728 164 164 LYS HB2 H 1.846 0.020 2 1729 164 164 LYS HB3 H 1.458 0.020 2 1730 164 164 LYS HG2 H 1.139 0.020 2 1731 164 164 LYS HG3 H 0.707 0.020 2 1732 164 164 LYS HD2 H 1.438 0.020 1 1733 164 164 LYS HD3 H 1.438 0.020 1 1734 164 164 LYS HE2 H 2.427 0.020 2 1735 164 164 LYS HE3 H 2.002 0.020 2 1736 164 164 LYS C C 172.248 0.400 1 1737 164 164 LYS CA C 54.193 0.400 1 1738 164 164 LYS CB C 34.523 0.400 1 1739 164 164 LYS CG C 25.354 0.400 1 1740 164 164 LYS CD C 28.443 0.400 1 1741 164 164 LYS CE C 41.729 0.400 1 1742 164 164 LYS N N 127.934 0.400 1 1743 165 165 VAL H H 8.562 0.020 1 1744 165 165 VAL HA H 5.130 0.020 1 1745 165 165 VAL HB H 1.910 0.020 1 1746 165 165 VAL HG1 H 0.848 0.020 2 1747 165 165 VAL HG2 H 0.745 0.020 2 1748 165 165 VAL C C 171.137 0.400 1 1749 165 165 VAL CA C 60.140 0.400 1 1750 165 165 VAL CB C 33.175 0.400 1 1751 165 165 VAL CG1 C 21.629 0.400 1 1752 165 165 VAL CG2 C 22.387 0.400 1 1753 165 165 VAL N N 126.593 0.400 1 1754 166 166 PHE H H 9.481 0.020 1 1755 166 166 PHE HA H 4.662 0.020 1 1756 166 166 PHE HB2 H 2.896 0.020 2 1757 166 166 PHE HB3 H 2.730 0.020 2 1758 166 166 PHE HD1 H 7.198 0.020 1 1759 166 166 PHE HD2 H 7.198 0.020 1 1760 166 166 PHE HE1 H 7.270 0.020 1 1761 166 166 PHE HE2 H 7.270 0.020 1 1762 166 166 PHE HZ H 7.124 0.020 1 1763 166 166 PHE C C 174.199 0.400 1 1764 166 166 PHE CA C 57.208 0.400 1 1765 166 166 PHE CB C 41.083 0.400 1 1766 166 166 PHE CD1 C 132.143 0.400 1 1767 166 166 PHE CD2 C 132.143 0.400 1 1768 166 166 PHE CE1 C 131.145 0.400 1 1769 166 166 PHE CE2 C 131.145 0.400 1 1770 166 166 PHE CZ C 129.619 0.400 1 1771 166 166 PHE N N 126.301 0.400 1 1772 167 167 ASN H H 8.781 0.020 1 1773 167 167 ASN HA H 4.831 0.020 1 1774 167 167 ASN HB2 H 2.679 0.020 2 1775 167 167 ASN HB3 H 2.639 0.020 2 1776 167 167 ASN HD21 H 7.349 0.020 2 1777 167 167 ASN HD22 H 6.780 0.020 2 1778 167 167 ASN C C 171.741 0.400 1 1779 167 167 ASN CA C 52.976 0.400 1 1780 167 167 ASN CB C 39.109 0.400 1 1781 167 167 ASN N N 123.073 0.400 1 1782 168 168 VAL H H 8.984 0.020 1 1783 168 168 VAL HA H 4.226 0.020 1 1784 168 168 VAL HB H 1.919 0.020 1 1785 168 168 VAL HG1 H 0.932 0.020 2 1786 168 168 VAL HG2 H 0.702 0.020 2 1787 168 168 VAL C C 171.351 0.400 1 1788 168 168 VAL CA C 62.833 0.400 1 1789 168 168 VAL CB C 31.682 0.400 1 1790 168 168 VAL CG1 C 22.506 0.400 1 1791 168 168 VAL CG2 C 22.853 0.400 1 1792 168 168 VAL N N 128.165 0.400 1 1793 169 169 THR H H 9.308 0.020 1 1794 169 169 THR HA H 4.734 0.020 1 1795 169 169 THR HB H 4.621 0.020 1 1796 169 169 THR HG2 H 1.147 0.020 1 1797 169 169 THR C C 171.995 0.400 1 1798 169 169 THR CA C 58.458 0.400 1 1799 169 169 THR CB C 73.180 0.400 1 1800 169 169 THR CG2 C 21.245 0.400 1 1801 169 169 THR N N 118.460 0.400 1 1802 170 170 LYS H H 8.906 0.020 1 1803 170 170 LYS HA H 3.634 0.020 1 1804 170 170 LYS HB2 H 1.749 0.020 2 1805 170 170 LYS HB3 H 1.689 0.020 2 1806 170 170 LYS HG2 H 1.476 0.020 2 1807 170 170 LYS HG3 H 1.176 0.020 2 1808 170 170 LYS HD2 H 1.605 0.020 1 1809 170 170 LYS HD3 H 1.605 0.020 1 1810 170 170 LYS HE2 H 2.896 0.020 1 1811 170 170 LYS HE3 H 2.896 0.020 1 1812 170 170 LYS C C 172.092 0.400 1 1813 170 170 LYS CA C 59.546 0.400 1 1814 170 170 LYS CB C 31.548 0.400 1 1815 170 170 LYS CG C 26.182 0.400 1 1816 170 170 LYS CD C 29.162 0.400 1 1817 170 170 LYS CE C 42.025 0.400 1 1818 170 170 LYS N N 118.779 0.400 1 1819 171 171 GLU H H 7.975 0.020 1 1820 171 171 GLU HA H 4.190 0.020 1 1821 171 171 GLU HB2 H 2.042 0.020 2 1822 171 171 GLU HB3 H 1.980 0.020 2 1823 171 171 GLU HG2 H 2.404 0.020 2 1824 171 171 GLU HG3 H 2.206 0.020 2 1825 171 171 GLU C C 175.096 0.400 1 1826 171 171 GLU CA C 58.978 0.400 1 1827 171 171 GLU CB C 29.554 0.400 1 1828 171 171 GLU CG C 37.368 0.400 1 1829 171 171 GLU N N 115.226 0.400 1 1830 172 172 ASN H H 8.071 0.020 1 1831 172 172 ASN HA H 4.815 0.020 1 1832 172 172 ASN HB2 H 3.242 0.020 2 1833 172 172 ASN HB3 H 2.653 0.020 2 1834 172 172 ASN HD21 H 7.483 0.020 2 1835 172 172 ASN HD22 H 7.345 0.020 2 1836 172 172 ASN C C 175.681 0.400 1 1837 172 172 ASN CA C 52.507 0.400 1 1838 172 172 ASN CB C 39.380 0.400 1 1839 172 172 ASN N N 117.085 0.400 1 1840 172 172 ASN ND2 N 106.881 0.400 1 1841 173 173 ARG H H 7.864 0.020 1 1842 173 173 ARG HA H 4.031 0.020 1 1843 173 173 ARG HB2 H 2.172 0.020 2 1844 173 173 ARG HB3 H 1.990 0.020 2 1845 173 173 ARG C C 178.412 0.400 1 1846 173 173 ARG CA C 60.198 0.400 1 1847 173 173 ARG CB C 28.293 0.400 1 1848 173 173 ARG N N 119.746 0.400 1 1849 174 174 ASN H H 8.506 0.020 1 1850 174 174 ASN HA H 4.785 0.020 1 1851 174 174 ASN HB2 H 2.780 0.020 2 1852 174 174 ASN HB3 H 2.529 0.020 2 1853 174 174 ASN HD21 H 7.512 0.020 2 1854 174 174 ASN HD22 H 7.559 0.020 2 1855 174 174 ASN C C 175.408 0.400 1 1856 174 174 ASN CA C 54.379 0.400 1 1857 174 174 ASN CB C 37.935 0.400 1 1858 174 174 ASN N N 118.198 0.400 1 1859 174 174 ASN ND2 N 114.069 0.400 1 1860 175 175 HIS H H 8.024 0.020 1 1861 175 175 HIS HA H 4.887 0.020 1 1862 175 175 HIS HB2 H 3.203 0.020 2 1863 175 175 HIS HB3 H 3.078 0.020 2 1864 175 175 HIS HD2 H 7.018 0.020 1 1865 175 175 HIS C C 173.087 0.400 1 1866 175 175 HIS CA C 56.251 0.400 1 1867 175 175 HIS CB C 32.106 0.400 1 1868 175 175 HIS CD2 C 120.260 0.400 1 1869 175 175 HIS N N 117.534 0.400 1 1870 176 176 LEU H H 7.107 0.020 1 1871 176 176 LEU HA H 4.305 0.020 1 1872 176 176 LEU HB2 H 1.517 0.020 2 1873 176 176 LEU HB3 H 1.203 0.020 2 1874 176 176 LEU HG H 1.721 0.020 1 1875 176 176 LEU HD1 H 0.816 0.020 2 1876 176 176 LEU HD2 H 0.816 0.020 2 1877 176 176 LEU C C 173.458 0.400 1 1878 176 176 LEU CA C 56.205 0.400 1 1879 176 176 LEU CB C 45.224 0.400 1 1880 176 176 LEU CG C 26.563 0.400 1 1881 176 176 LEU CD1 C 25.933 0.400 1 1882 176 176 LEU CD2 C 25.987 0.400 1 1883 176 176 LEU N N 119.308 0.400 1 1884 177 177 LEU H H 8.504 0.020 1 1885 177 177 LEU HA H 3.927 0.020 1 1886 177 177 LEU HB2 H 1.897 0.020 2 1887 177 177 LEU HB3 H 1.496 0.020 2 1888 177 177 LEU HG H 1.503 0.020 1 1889 177 177 LEU HD1 H 0.859 0.020 2 1890 177 177 LEU HD2 H 0.773 0.020 2 1891 177 177 LEU C C 175.408 0.400 1 1892 177 177 LEU CA C 60.698 0.400 1 1893 177 177 LEU CB C 38.814 0.400 1 1894 177 177 LEU CG C 26.916 0.400 1 1895 177 177 LEU CD1 C 23.541 0.400 1 1896 177 177 LEU CD2 C 23.574 0.400 1 1897 177 177 LEU N N 118.491 0.400 1 1898 178 178 PRO HA H 4.224 0.020 1 1899 178 178 PRO HB2 H 2.256 0.020 2 1900 178 178 PRO HB3 H 1.899 0.020 2 1901 178 178 PRO HG2 H 2.011 0.020 1 1902 178 178 PRO HG3 H 2.011 0.020 1 1903 178 178 PRO CA C 65.882 0.400 1 1904 178 178 PRO CB C 30.595 0.400 1 1905 178 178 PRO CG C 27.095 0.400 1 1906 179 179 ASP H H 7.206 0.020 1 1907 179 179 ASP HA H 4.415 0.020 1 1908 179 179 ASP HB2 H 2.731 0.020 1 1909 179 179 ASP HB3 H 2.731 0.020 1 1910 179 179 ASP C C 176.618 0.400 1 1911 179 179 ASP CA C 57.165 0.400 1 1912 179 179 ASP CB C 40.481 0.400 1 1913 179 179 ASP N N 118.284 0.400 1 1914 180 180 ILE H H 7.811 0.020 1 1915 180 180 ILE HA H 3.231 0.020 1 1916 180 180 ILE HB H 1.747 0.020 1 1917 180 180 ILE HG12 H 0.953 0.020 2 1918 180 180 ILE HG13 H 0.080 0.020 2 1919 180 180 ILE HG2 H 0.530 0.020 1 1920 180 180 ILE HD1 H 0.449 0.020 1 1921 180 180 ILE C C 176.267 0.400 1 1922 180 180 ILE CA C 65.415 0.400 1 1923 180 180 ILE CB C 38.375 0.400 1 1924 180 180 ILE CG1 C 27.143 0.400 1 1925 180 180 ILE CG2 C 16.838 0.400 1 1926 180 180 ILE CD1 C 15.596 0.400 1 1927 180 180 ILE N N 121.298 0.400 1 1928 181 181 VAL H H 8.084 0.020 1 1929 181 181 VAL HA H 3.290 0.020 1 1930 181 181 VAL HB H 2.063 0.020 1 1931 181 181 VAL HG1 H 0.920 0.020 2 1932 181 181 VAL HG2 H 0.825 0.020 2 1933 181 181 VAL C C 174.901 0.400 1 1934 181 181 VAL CA C 67.695 0.400 1 1935 181 181 VAL CB C 31.657 0.400 1 1936 181 181 VAL CG1 C 22.660 0.400 1 1937 181 181 VAL CG2 C 21.063 0.400 1 1938 181 181 VAL N N 117.868 0.400 1 1939 182 182 THR H H 8.435 0.020 1 1940 182 182 THR HA H 3.965 0.020 1 1941 182 182 THR HB H 4.272 0.020 1 1942 182 182 THR HG2 H 1.272 0.020 1 1943 182 182 THR C C 175.486 0.400 1 1944 182 182 THR CA C 66.564 0.400 1 1945 182 182 THR CB C 68.668 0.400 1 1946 182 182 THR CG2 C 21.778 0.400 1 1947 182 182 THR N N 115.296 0.400 1 1948 183 183 CYS H H 7.926 0.020 1 1949 183 183 CYS HA H 4.179 0.020 1 1950 183 183 CYS HB2 H 3.334 0.020 2 1951 183 183 CYS HB3 H 2.967 0.020 2 1952 183 183 CYS C C 174.023 0.400 1 1953 183 183 CYS CA C 63.767 0.400 1 1954 183 183 CYS CB C 26.744 0.400 1 1955 183 183 CYS N N 121.382 0.400 1 1956 184 184 VAL H H 8.035 0.020 1 1957 184 184 VAL HA H 3.649 0.020 1 1958 184 184 VAL HB H 2.177 0.020 1 1959 184 184 VAL HG1 H 0.999 0.020 2 1960 184 184 VAL HG2 H 0.866 0.020 2 1961 184 184 VAL C C 174.901 0.400 1 1962 184 184 VAL CA C 66.364 0.400 1 1963 184 184 VAL CB C 31.570 0.400 1 1964 184 184 VAL CG1 C 23.004 0.400 1 1965 184 184 VAL CG2 C 22.540 0.400 1 1966 184 184 VAL N N 118.743 0.400 1 1967 185 185 GLN H H 8.321 0.020 1 1968 185 185 GLN HA H 4.213 0.020 1 1969 185 185 GLN HB2 H 2.114 0.020 2 1970 185 185 GLN HB3 H 2.042 0.020 2 1971 185 185 GLN HG2 H 2.395 0.020 1 1972 185 185 GLN HG3 H 2.395 0.020 1 1973 185 185 GLN HE21 H 7.464 0.020 2 1974 185 185 GLN HE22 H 6.795 0.020 2 1975 185 185 GLN C C 174.570 0.400 1 1976 185 185 GLN CA C 58.211 0.400 1 1977 185 185 GLN CB C 29.137 0.400 1 1978 185 185 GLN CG C 33.795 0.400 1 1979 185 185 GLN N N 115.900 0.400 1 1980 185 185 GLN NE2 N 111.715 0.400 1 1981 186 186 SER H H 8.229 0.020 1 1982 186 186 SER HA H 4.333 0.020 1 1983 186 186 SER HB2 H 4.031 0.020 1 1984 186 186 SER HB3 H 4.031 0.020 1 1985 186 186 SER C C 176.052 0.400 1 1986 186 186 SER CA C 60.493 0.400 1 1987 186 186 SER CB C 63.384 0.400 1 1988 186 186 SER N N 114.831 0.400 1 1989 187 187 SER CA C 59.440 0.400 1 1990 187 187 SER CB C 63.637 0.400 1 1991 188 188 ARG H H 7.737 0.020 1 1992 188 188 ARG HA H 4.327 0.020 1 1993 188 188 ARG HB2 H 1.919 0.020 2 1994 188 188 ARG HB3 H 1.778 0.020 2 1995 188 188 ARG CA C 56.310 0.400 1 1996 188 188 ARG CB C 30.764 0.400 1 1997 188 188 ARG N N 121.279 0.400 1 1998 189 189 LYS H H 7.724 0.020 1 1999 189 189 LYS HA H 4.114 0.020 1 2000 189 189 LYS HB2 H 1.820 0.020 2 2001 189 189 LYS HB3 H 1.712 0.020 2 2002 189 189 LYS HG2 H 1.408 0.020 1 2003 189 189 LYS HG3 H 1.408 0.020 1 2004 189 189 LYS HD2 H 1.659 0.020 1 2005 189 189 LYS HD3 H 1.659 0.020 1 2006 189 189 LYS HE2 H 2.974 0.020 1 2007 189 189 LYS HE3 H 2.974 0.020 1 2008 189 189 LYS C C 172.483 0.400 1 2009 189 189 LYS CA C 57.763 0.400 1 2010 189 189 LYS CB C 33.706 0.400 1 2011 189 189 LYS CG C 24.800 0.400 1 2012 189 189 LYS CD C 29.107 0.400 1 2013 189 189 LYS CE C 42.082 0.400 1 2014 189 189 LYS N N 127.061 0.400 1 stop_ save_