data_30556 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of human Coa6 ; _BMRB_accession_number 30556 _BMRB_flat_file_name bmr30556.str _Entry_type original _Submission_date 2019-01-07 _Accession_date 2019-01-07 _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 Naik M. T. . 2 Soma S. . . 3 Gohil V. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 397 "13C chemical shifts" 275 "15N chemical shifts" 78 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-11-12 original BMRB . stop_ _Original_release_date 2019-01-10 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Redox role of COA6 in CuA site formation in cytochrome c oxidase ; _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 Soma S. . . 2 Naik M. T. . 3 Gohil V. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _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 'Cytochrome c oxidase assembly factor 6 homolog' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 9586.769 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 81 _Mol_residue_sequence ; GSMAAPSMKERQVCWGARDE YWKCLDENLEDASQCKKLRS SFESSCPQQWIKYFDKRRDY LKFKEKFEAGQFEPSETTAK S ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 GLY 2 0 SER 3 1 MET 4 2 ALA 5 3 ALA 6 4 PRO 7 5 SER 8 6 MET 9 7 LYS 10 8 GLU 11 9 ARG 12 10 GLN 13 11 VAL 14 12 CYS 15 13 TRP 16 14 GLY 17 15 ALA 18 16 ARG 19 17 ASP 20 18 GLU 21 19 TYR 22 20 TRP 23 21 LYS 24 22 CYS 25 23 LEU 26 24 ASP 27 25 GLU 28 26 ASN 29 27 LEU 30 28 GLU 31 29 ASP 32 30 ALA 33 31 SER 34 32 GLN 35 33 CYS 36 34 LYS 37 35 LYS 38 36 LEU 39 37 ARG 40 38 SER 41 39 SER 42 40 PHE 43 41 GLU 44 42 SER 45 43 SER 46 44 CYS 47 45 PRO 48 46 GLN 49 47 GLN 50 48 TRP 51 49 ILE 52 50 LYS 53 51 TYR 54 52 PHE 55 53 ASP 56 54 LYS 57 55 ARG 58 56 ARG 59 57 ASP 60 58 TYR 61 59 LEU 62 60 LYS 63 61 PHE 64 62 LYS 65 63 GLU 66 64 LYS 67 65 PHE 68 66 GLU 69 67 ALA 70 68 GLY 71 69 GLN 72 70 PHE 73 71 GLU 74 72 PRO 75 73 SER 76 74 GLU 77 75 THR 78 76 THR 79 77 ALA 80 78 LYS 81 79 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'COA6, C1orf31' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . . . BL21(DE3) PLASMID pGEX-4T1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.5 mM [U-15N] Coa6, 50 mM TRIS, 150 mM sodium chloride, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM [U-15N] TRIS 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.5 mM [U-13C; U-15N] Coa6, 50 mM TRIS, 150 mM sodium chloride, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-13C; U-15N]' TRIS 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '0.5 mM Coa6, 50 mM TRIS, 150 mM sodium chloride, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM 'natural abundance' TRIS 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D COSY' _Sample_label $sample_3 save_ save_2D_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_2 save_ save_3D_HNCO_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_2D_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample_3 save_ save_2D-hbCBcgcdHD_17 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-hbCBcgcdHD _Sample_label $sample_2 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' 150 . mM pH 7.4 0.1 pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D COSY' '2D TOCSY' '2D 1H-13C HSQC' '2D 1H-13C HSQC aromatic' '2D 1H-15N HSQC' '3D HCCH-COSY' '3D 1H-15N TOCSY' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D CBCA(CO)NH' '3D HNCA' '3D HNCACO' '3D HNCO' '3D 1H-13C NOESY' '3D 1H-15N NOESY' '2D NOESY' 2D-hbCBcgcdHD stop_ loop_ _Sample_label $sample_3 $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 3 MET HA H 4.476 0.020 1 2 1 3 MET HB2 H 1.994 0.020 2 3 1 3 MET HB3 H 2.018 0.020 2 4 1 3 MET HG2 H 2.524 0.020 2 5 1 3 MET HG3 H 2.601 0.020 2 6 1 3 MET HE H 2.091 0.020 1 7 1 3 MET C C 175.649 0.400 1 8 1 3 MET CA C 55.422 0.400 1 9 1 3 MET CB C 33.475 0.400 1 10 1 3 MET CG C 32.056 0.400 1 11 1 3 MET CE C 17.039 0.400 1 12 2 4 ALA H H 8.294 0.020 1 13 2 4 ALA HA H 4.297 0.020 1 14 2 4 ALA HB H 1.351 0.020 1 15 2 4 ALA C C 176.952 0.400 1 16 2 4 ALA CA C 52.344 0.400 1 17 2 4 ALA CB C 19.378 0.400 1 18 2 4 ALA N N 125.701 0.400 1 19 3 5 ALA H H 8.293 0.020 1 20 3 5 ALA HA H 4.510 0.020 1 21 3 5 ALA HB H 1.324 0.020 1 22 3 5 ALA C C 175.437 0.400 1 23 3 5 ALA CA C 50.438 0.400 1 24 3 5 ALA CB C 18.195 0.400 1 25 3 5 ALA N N 124.517 0.400 1 26 6 8 MET HE H 1.945 0.020 1 27 6 8 MET CE C 16.879 0.400 1 28 8 10 GLU C C 179.542 0.400 1 29 9 11 ARG H H 8.342 0.020 1 30 9 11 ARG C C 176.722 0.400 1 31 9 11 ARG N N 120.437 0.400 1 32 10 12 GLN H H 7.987 0.020 1 33 10 12 GLN HA H 4.007 0.020 1 34 10 12 GLN HB2 H 2.240 0.020 2 35 10 12 GLN HB3 H 2.240 0.020 2 36 10 12 GLN HG2 H 2.486 0.020 2 37 10 12 GLN HG3 H 2.486 0.020 2 38 10 12 GLN HE21 H 6.882 0.020 2 39 10 12 GLN HE22 H 7.465 0.020 2 40 10 12 GLN C C 179.674 0.400 1 41 10 12 GLN CA C 59.281 0.400 1 42 10 12 GLN CB C 28.254 0.400 1 43 10 12 GLN CG C 33.908 0.400 1 44 10 12 GLN N N 117.483 0.400 1 45 10 12 GLN NE2 N 111.528 0.400 1 46 11 13 VAL H H 8.047 0.020 1 47 11 13 VAL HA H 3.804 0.020 1 48 11 13 VAL HB H 2.185 0.020 1 49 11 13 VAL HG1 H 1.055 0.020 1 50 11 13 VAL HG2 H 1.106 0.020 1 51 11 13 VAL C C 178.666 0.400 1 52 11 13 VAL CA C 66.113 0.400 1 53 11 13 VAL CB C 31.818 0.400 1 54 11 13 VAL CG1 C 20.972 0.400 1 55 11 13 VAL CG2 C 22.629 0.400 1 56 11 13 VAL N N 120.525 0.400 1 57 12 14 CYS H H 7.812 0.020 1 58 12 14 CYS HA H 4.416 0.020 1 59 12 14 CYS HB2 H 3.850 0.020 2 60 12 14 CYS HB3 H 3.026 0.020 2 61 12 14 CYS C C 175.833 0.400 1 62 12 14 CYS CA C 58.693 0.400 1 63 12 14 CYS CB C 37.566 0.400 1 64 12 14 CYS N N 118.756 0.400 1 65 13 15 TRP H H 8.998 0.020 1 66 13 15 TRP HA H 4.101 0.020 1 67 13 15 TRP HB2 H 3.271 0.020 2 68 13 15 TRP HB3 H 3.271 0.020 2 69 13 15 TRP HD1 H 7.070 0.020 1 70 13 15 TRP HE1 H 10.363 0.020 1 71 13 15 TRP HZ2 H 7.487 0.020 1 72 13 15 TRP C C 178.614 0.400 1 73 13 15 TRP CA C 60.127 0.400 1 74 13 15 TRP CB C 28.566 0.400 1 75 13 15 TRP CD1 C 124.630 0.400 1 76 13 15 TRP CZ2 C 114.728 0.400 1 77 13 15 TRP N N 120.977 0.400 1 78 13 15 TRP NE1 N 129.742 0.400 1 79 14 16 GLY H H 8.328 0.020 1 80 14 16 GLY HA2 H 3.940 0.020 2 81 14 16 GLY HA3 H 3.940 0.020 2 82 14 16 GLY C C 176.047 0.400 1 83 14 16 GLY CA C 47.402 0.400 1 84 14 16 GLY N N 104.596 0.400 1 85 15 17 ALA H H 7.934 0.020 1 86 15 17 ALA HA H 4.224 0.020 1 87 15 17 ALA HB H 1.623 0.020 1 88 15 17 ALA C C 181.453 0.400 1 89 15 17 ALA CA C 54.798 0.400 1 90 15 17 ALA CB C 18.487 0.400 1 91 15 17 ALA N N 125.020 0.400 1 92 16 18 ARG H H 8.748 0.020 1 93 16 18 ARG HA H 2.499 0.020 1 94 16 18 ARG HB2 H 1.286 0.020 2 95 16 18 ARG HB3 H 1.286 0.020 2 96 16 18 ARG HG2 H -0.675 0.020 2 97 16 18 ARG HG3 H -0.159 0.020 2 98 16 18 ARG HD2 H 0.458 0.020 2 99 16 18 ARG HD3 H 0.458 0.020 2 100 16 18 ARG HE H 5.812 0.020 1 101 16 18 ARG C C 176.805 0.400 1 102 16 18 ARG CA C 58.752 0.400 1 103 16 18 ARG CB C 28.103 0.400 1 104 16 18 ARG CG C 23.468 0.400 1 105 16 18 ARG CD C 40.811 0.400 1 106 16 18 ARG N N 122.232 0.400 1 107 16 18 ARG NE N 82.174 0.400 1 108 17 19 ASP H H 8.337 0.020 1 109 17 19 ASP HA H 4.168 0.020 1 110 17 19 ASP HB2 H 2.854 0.020 2 111 17 19 ASP HB3 H 2.626 0.020 2 112 17 19 ASP C C 179.674 0.400 1 113 17 19 ASP CA C 57.858 0.400 1 114 17 19 ASP CB C 39.321 0.400 1 115 17 19 ASP N N 119.053 0.400 1 116 18 20 GLU H H 8.121 0.020 1 117 18 20 GLU HA H 4.060 0.020 1 118 18 20 GLU HB2 H 2.110 0.020 2 119 18 20 GLU HB3 H 2.110 0.020 2 120 18 20 GLU HG2 H 2.365 0.020 2 121 18 20 GLU HG3 H 2.468 0.020 2 122 18 20 GLU C C 179.178 0.400 1 123 18 20 GLU CA C 59.520 0.400 1 124 18 20 GLU CB C 29.856 0.400 1 125 18 20 GLU CG C 36.841 0.400 1 126 18 20 GLU N N 119.964 0.400 1 127 19 21 TYR H H 7.726 0.020 1 128 19 21 TYR HA H 4.358 0.020 1 129 19 21 TYR HB2 H 2.913 0.020 2 130 19 21 TYR HB3 H 2.767 0.020 2 131 19 21 TYR HD1 H 6.686 0.020 1 132 19 21 TYR HD2 H 6.686 0.020 1 133 19 21 TYR HE1 H 6.667 0.020 1 134 19 21 TYR HE2 H 6.667 0.020 1 135 19 21 TYR C C 176.513 0.400 1 136 19 21 TYR CA C 61.348 0.400 1 137 19 21 TYR CB C 37.904 0.400 1 138 19 21 TYR CD1 C 133.439 0.400 1 139 19 21 TYR CE1 C 118.056 0.400 1 140 19 21 TYR N N 121.117 0.400 1 141 20 22 TRP H H 9.025 0.020 1 142 20 22 TRP HA H 4.002 0.020 1 143 20 22 TRP HB2 H 3.279 0.020 2 144 20 22 TRP HB3 H 3.155 0.020 2 145 20 22 TRP HE1 H 10.092 0.020 1 146 20 22 TRP HZ2 H 7.367 0.020 1 147 20 22 TRP C C 177.687 0.400 1 148 20 22 TRP CA C 58.818 0.400 1 149 20 22 TRP CB C 28.716 0.400 1 150 20 22 TRP CZ2 C 114.176 0.400 1 151 20 22 TRP N N 120.546 0.400 1 152 20 22 TRP NE1 N 127.800 0.400 1 153 21 23 LYS C C 176.671 0.400 1 154 22 24 CYS H H 8.436 0.020 1 155 22 24 CYS HA H 4.199 0.020 1 156 22 24 CYS HB2 H 2.604 0.020 2 157 22 24 CYS HB3 H 2.604 0.020 2 158 22 24 CYS C C 177.394 0.400 1 159 22 24 CYS CA C 57.839 0.400 1 160 22 24 CYS CB C 32.450 0.400 1 161 22 24 CYS N N 119.435 0.400 1 162 23 25 LEU H H 8.018 0.020 1 163 23 25 LEU HA H 4.342 0.020 1 164 23 25 LEU HB2 H 1.673 0.020 2 165 23 25 LEU HB3 H 1.673 0.020 2 166 23 25 LEU HG H 1.722 0.020 1 167 23 25 LEU HD1 H 0.739 0.020 2 168 23 25 LEU HD2 H 0.754 0.020 2 169 23 25 LEU C C 176.846 0.400 1 170 23 25 LEU CA C 58.549 0.400 1 171 23 25 LEU CB C 42.425 0.400 1 172 23 25 LEU CG C 27.135 0.400 1 173 23 25 LEU CD1 C 25.580 0.400 1 174 23 25 LEU CD2 C 22.547 0.400 1 175 23 25 LEU N N 119.871 0.400 1 176 24 26 ASP H H 8.317 0.020 1 177 24 26 ASP HA H 4.275 0.020 1 178 24 26 ASP HB2 H 3.000 0.020 2 179 24 26 ASP HB3 H 2.647 0.020 2 180 24 26 ASP C C 179.977 0.400 1 181 24 26 ASP CA C 57.260 0.400 1 182 24 26 ASP CB C 40.233 0.400 1 183 24 26 ASP N N 120.584 0.400 1 184 25 27 GLU H H 8.105 0.020 1 185 25 27 GLU HA H 4.117 0.020 1 186 25 27 GLU HB2 H 2.088 0.020 2 187 25 27 GLU HB3 H 2.088 0.020 2 188 25 27 GLU HG2 H 2.512 0.020 2 189 25 27 GLU HG3 H 2.288 0.020 2 190 25 27 GLU C C 177.089 0.400 1 191 25 27 GLU CA C 58.033 0.400 1 192 25 27 GLU CB C 30.272 0.400 1 193 25 27 GLU CG C 36.590 0.400 1 194 25 27 GLU N N 118.788 0.400 1 195 26 28 ASN H H 7.668 0.020 1 196 26 28 ASN HA H 4.969 0.020 1 197 26 28 ASN HB2 H 2.895 0.020 2 198 26 28 ASN HB3 H 2.479 0.020 2 199 26 28 ASN HD21 H 7.859 0.020 2 200 26 28 ASN HD22 H 7.454 0.020 2 201 26 28 ASN C C 174.571 0.400 1 202 26 28 ASN CA C 53.340 0.400 1 203 26 28 ASN CB C 39.542 0.400 1 204 26 28 ASN N N 115.906 0.400 1 205 26 28 ASN ND2 N 120.233 0.400 1 206 27 29 LEU H H 7.910 0.020 1 207 27 29 LEU HA H 4.128 0.020 1 208 27 29 LEU HB2 H 1.809 0.020 2 209 27 29 LEU HB3 H 1.582 0.020 2 210 27 29 LEU HG H 1.617 0.020 1 211 27 29 LEU HD1 H 0.909 0.020 2 212 27 29 LEU HD2 H 0.870 0.020 2 213 27 29 LEU C C 177.328 0.400 1 214 27 29 LEU CA C 56.551 0.400 1 215 27 29 LEU CB C 39.255 0.400 1 216 27 29 LEU CG C 27.157 0.400 1 217 27 29 LEU CD1 C 25.313 0.400 1 218 27 29 LEU CD2 C 23.434 0.400 1 219 27 29 LEU N N 119.998 0.400 1 220 28 30 GLU H H 9.014 0.020 1 221 28 30 GLU HA H 3.547 0.020 1 222 28 30 GLU HB2 H 2.334 0.020 2 223 28 30 GLU HB3 H 1.965 0.020 2 224 28 30 GLU HG2 H 2.175 0.020 2 225 28 30 GLU HG3 H 2.175 0.020 2 226 28 30 GLU C C 176.152 0.400 1 227 28 30 GLU CA C 57.183 0.400 1 228 28 30 GLU CB C 29.541 0.400 1 229 28 30 GLU CG C 36.552 0.400 1 230 28 30 GLU N N 113.701 0.400 1 231 29 31 ASP H H 7.494 0.020 1 232 29 31 ASP HA H 4.698 0.020 1 233 29 31 ASP HB2 H 3.018 0.020 2 234 29 31 ASP HB3 H 2.666 0.020 2 235 29 31 ASP C C 175.738 0.400 1 236 29 31 ASP CA C 53.130 0.400 1 237 29 31 ASP CB C 39.892 0.400 1 238 29 31 ASP N N 118.486 0.400 1 239 30 32 ALA H H 8.369 0.020 1 240 30 32 ALA HA H 3.774 0.020 1 241 30 32 ALA HB H 1.521 0.020 1 242 30 32 ALA C C 180.711 0.400 1 243 30 32 ALA CA C 54.551 0.400 1 244 30 32 ALA CB C 18.570 0.400 1 245 30 32 ALA N N 128.011 0.400 1 246 31 33 SER H H 8.478 0.020 1 247 31 33 SER HA H 4.234 0.020 1 248 31 33 SER HB2 H 4.051 0.020 2 249 31 33 SER HB3 H 4.051 0.020 2 250 31 33 SER C C 176.514 0.400 1 251 31 33 SER CA C 61.882 0.400 1 252 31 33 SER CB C 62.630 0.400 1 253 31 33 SER N N 116.010 0.400 1 254 32 34 GLN H H 7.636 0.020 1 255 32 34 GLN HA H 4.301 0.020 1 256 32 34 GLN HB2 H 1.931 0.020 2 257 32 34 GLN HB3 H 1.931 0.020 2 258 32 34 GLN HG2 H 2.167 0.020 2 259 32 34 GLN HG3 H 2.167 0.020 2 260 32 34 GLN HE21 H 6.897 0.020 2 261 32 34 GLN HE22 H 7.450 0.020 2 262 32 34 GLN CA C 55.686 0.400 1 263 32 34 GLN CB C 29.463 0.400 1 264 32 34 GLN CG C 33.721 0.400 1 265 32 34 GLN N N 119.347 0.400 1 266 32 34 GLN NE2 N 111.775 0.400 1 267 33 35 CYS H H 8.124 0.020 1 268 33 35 CYS HA H 4.138 0.020 1 269 33 35 CYS HB2 H 1.919 0.020 2 270 33 35 CYS HB3 H 1.919 0.020 2 271 33 35 CYS C C 178.037 0.400 1 272 33 35 CYS CA C 59.538 0.400 1 273 33 35 CYS CB C 32.006 0.400 1 274 33 35 CYS N N 119.681 0.400 1 275 34 36 LYS H H 7.435 0.020 1 276 34 36 LYS HA H 4.115 0.020 1 277 34 36 LYS HB2 H 1.964 0.020 2 278 34 36 LYS HB3 H 1.964 0.020 2 279 34 36 LYS HG2 H 1.541 0.020 2 280 34 36 LYS HG3 H 1.649 0.020 2 281 34 36 LYS HD2 H 1.791 0.020 2 282 34 36 LYS HD3 H 1.791 0.020 2 283 34 36 LYS HE2 H 3.046 0.020 2 284 34 36 LYS HE3 H 3.046 0.020 2 285 34 36 LYS CA C 60.641 0.400 1 286 34 36 LYS CB C 32.817 0.400 1 287 34 36 LYS CG C 25.201 0.400 1 288 34 36 LYS CD C 29.363 0.400 1 289 34 36 LYS CE C 41.986 0.400 1 290 34 36 LYS N N 118.965 0.400 1 291 35 37 LYS H H 8.780 0.020 1 292 35 37 LYS HA H 4.255 0.020 1 293 35 37 LYS HB2 H 1.927 0.020 2 294 35 37 LYS HB3 H 1.927 0.020 2 295 35 37 LYS HG2 H 1.590 0.020 2 296 35 37 LYS HG3 H 1.590 0.020 2 297 35 37 LYS HD2 H 1.757 0.020 2 298 35 37 LYS HD3 H 1.757 0.020 2 299 35 37 LYS HE2 H 2.997 0.020 2 300 35 37 LYS HE3 H 2.997 0.020 2 301 35 37 LYS C C 179.851 0.400 1 302 35 37 LYS CA C 59.971 0.400 1 303 35 37 LYS CB C 31.590 0.400 1 304 35 37 LYS CG C 25.295 0.400 1 305 35 37 LYS CD C 29.309 0.400 1 306 35 37 LYS CE C 42.253 0.400 1 307 35 37 LYS N N 121.083 0.400 1 308 36 38 LEU H H 7.807 0.020 1 309 36 38 LEU HA H 4.351 0.020 1 310 36 38 LEU HB2 H 2.096 0.020 2 311 36 38 LEU HB3 H 1.640 0.020 2 312 36 38 LEU HG H 1.867 0.020 1 313 36 38 LEU HD1 H 1.103 0.020 2 314 36 38 LEU HD2 H 1.003 0.020 2 315 36 38 LEU C C 180.790 0.400 1 316 36 38 LEU CA C 56.917 0.400 1 317 36 38 LEU CB C 42.331 0.400 1 318 36 38 LEU CG C 27.983 0.400 1 319 36 38 LEU CD1 C 26.431 0.400 1 320 36 38 LEU CD2 C 23.499 0.400 1 321 36 38 LEU N N 119.781 0.400 1 322 37 39 ARG H H 8.902 0.020 1 323 37 39 ARG HA H 3.472 0.020 1 324 37 39 ARG HB2 H 2.284 0.020 2 325 37 39 ARG HB3 H 2.284 0.020 2 326 37 39 ARG HG2 H 1.356 0.020 2 327 37 39 ARG HG3 H 1.356 0.020 2 328 37 39 ARG HD2 H 2.714 0.020 2 329 37 39 ARG HD3 H 2.714 0.020 2 330 37 39 ARG C C 178.117 0.400 1 331 37 39 ARG CA C 58.050 0.400 1 332 37 39 ARG CB C 28.271 0.400 1 333 37 39 ARG CG C 24.827 0.400 1 334 37 39 ARG CD C 41.509 0.400 1 335 37 39 ARG N N 124.394 0.400 1 336 38 40 SER H H 8.092 0.020 1 337 38 40 SER HA H 4.319 0.020 1 338 38 40 SER HB2 H 4.050 0.020 2 339 38 40 SER HB3 H 4.050 0.020 2 340 38 40 SER C C 177.633 0.400 1 341 38 40 SER CA C 62.208 0.400 1 342 38 40 SER CB C 62.302 0.400 1 343 38 40 SER N N 115.744 0.400 1 344 39 41 SER H H 7.895 0.020 1 345 39 41 SER HA H 4.319 0.020 1 346 39 41 SER HB2 H 3.965 0.020 2 347 39 41 SER HB3 H 3.965 0.020 2 348 39 41 SER C C 176.632 0.400 1 349 39 41 SER CA C 61.726 0.400 1 350 39 41 SER CB C 62.699 0.400 1 351 39 41 SER N N 116.877 0.400 1 352 40 42 PHE H H 7.982 0.020 1 353 40 42 PHE HA H 4.331 0.020 1 354 40 42 PHE HB2 H 3.023 0.020 2 355 40 42 PHE HB3 H 3.277 0.020 2 356 40 42 PHE HD1 H 7.035 0.020 1 357 40 42 PHE HD2 H 7.035 0.020 1 358 40 42 PHE C C 176.039 0.400 1 359 40 42 PHE CA C 59.367 0.400 1 360 40 42 PHE CB C 38.900 0.400 1 361 40 42 PHE CD1 C 131.435 0.400 1 362 40 42 PHE N N 124.939 0.400 1 363 41 43 GLU H H 8.401 0.020 1 364 41 43 GLU HA H 3.669 0.020 1 365 41 43 GLU HB2 H 2.030 0.020 2 366 41 43 GLU HB3 H 2.030 0.020 2 367 41 43 GLU HG2 H 2.359 0.020 2 368 41 43 GLU HG3 H 1.952 0.020 2 369 41 43 GLU C C 178.270 0.400 1 370 41 43 GLU CA C 58.748 0.400 1 371 41 43 GLU CB C 29.258 0.400 1 372 41 43 GLU CG C 37.187 0.400 1 373 41 43 GLU N N 116.356 0.400 1 374 42 44 SER H H 7.913 0.020 1 375 42 44 SER HA H 4.449 0.020 1 376 42 44 SER HB2 H 3.942 0.020 2 377 42 44 SER HB3 H 3.942 0.020 2 378 42 44 SER C C 175.951 0.400 1 379 42 44 SER CA C 60.138 0.400 1 380 42 44 SER CB C 63.646 0.400 1 381 42 44 SER N N 110.645 0.400 1 382 43 45 SER H H 7.582 0.020 1 383 43 45 SER HA H 4.566 0.020 1 384 43 45 SER HB2 H 3.902 0.020 2 385 43 45 SER HB3 H 3.902 0.020 2 386 43 45 SER C C 172.737 0.400 1 387 43 45 SER CA C 59.986 0.400 1 388 43 45 SER CB C 65.424 0.400 1 389 43 45 SER N N 114.459 0.400 1 390 44 46 CYS H H 7.146 0.020 1 391 44 46 CYS HA H 5.196 0.020 1 392 44 46 CYS HB2 H 2.573 0.020 2 393 44 46 CYS HB3 H 2.941 0.020 2 394 44 46 CYS CA C 52.169 0.400 1 395 44 46 CYS CB C 45.634 0.400 1 396 44 46 CYS N N 116.693 0.400 1 397 45 47 PRO HA H 4.448 0.020 1 398 45 47 PRO HB2 H 2.402 0.020 2 399 45 47 PRO HB3 H 1.632 0.020 2 400 45 47 PRO HG2 H 1.629 0.020 2 401 45 47 PRO HG3 H 1.629 0.020 2 402 45 47 PRO HD2 H 3.432 0.020 2 403 45 47 PRO HD3 H 3.579 0.020 2 404 45 47 PRO CA C 62.324 0.400 1 405 45 47 PRO CB C 32.805 0.400 1 406 45 47 PRO CG C 27.451 0.400 1 407 45 47 PRO CD C 50.359 0.400 1 408 46 48 GLN H H 9.092 0.020 1 409 46 48 GLN HA H 3.908 0.020 1 410 46 48 GLN HB2 H 2.153 0.020 2 411 46 48 GLN HB3 H 2.153 0.020 2 412 46 48 GLN HG2 H 2.452 0.020 2 413 46 48 GLN HG3 H 2.452 0.020 2 414 46 48 GLN HE21 H 6.924 0.020 2 415 46 48 GLN HE22 H 7.589 0.020 2 416 46 48 GLN C C 178.365 0.400 1 417 46 48 GLN CA C 59.896 0.400 1 418 46 48 GLN CB C 28.404 0.400 1 419 46 48 GLN CG C 33.934 0.400 1 420 46 48 GLN N N 125.003 0.400 1 421 46 48 GLN NE2 N 112.576 0.400 1 422 47 49 GLN H H 9.424 0.020 1 423 47 49 GLN HA H 4.120 0.020 1 424 47 49 GLN HB2 H 2.093 0.020 2 425 47 49 GLN HB3 H 2.093 0.020 2 426 47 49 GLN HG2 H 2.274 0.020 2 427 47 49 GLN HG3 H 2.274 0.020 2 428 47 49 GLN HE21 H 7.153 0.020 2 429 47 49 GLN HE22 H 6.572 0.020 2 430 47 49 GLN C C 177.696 0.400 1 431 47 49 GLN CA C 59.062 0.400 1 432 47 49 GLN CB C 28.439 0.400 1 433 47 49 GLN CG C 37.001 0.400 1 434 47 49 GLN N N 116.647 0.400 1 435 47 49 GLN NE2 N 112.108 0.400 1 436 48 50 TRP H H 8.133 0.020 1 437 48 50 TRP HA H 4.332 0.020 1 438 48 50 TRP HB2 H 3.228 0.020 2 439 48 50 TRP HB3 H 3.228 0.020 2 440 48 50 TRP HD1 H 6.686 0.020 1 441 48 50 TRP HE1 H 11.087 0.020 1 442 48 50 TRP HZ2 H 7.877 0.020 1 443 48 50 TRP C C 176.897 0.400 1 444 48 50 TRP CA C 59.880 0.400 1 445 48 50 TRP CB C 28.588 0.400 1 446 48 50 TRP CD1 C 123.878 0.400 1 447 48 50 TRP CZ2 C 114.473 0.400 1 448 48 50 TRP N N 119.356 0.400 1 449 48 50 TRP NE1 N 128.277 0.400 1 450 49 51 ILE H H 7.734 0.020 1 451 49 51 ILE HA H 3.616 0.020 1 452 49 51 ILE HB H 1.892 0.020 1 453 49 51 ILE HG12 H 0.358 0.020 2 454 49 51 ILE HG13 H 1.231 0.020 2 455 49 51 ILE HG2 H 0.696 0.020 1 456 49 51 ILE HD1 H 0.377 0.020 1 457 49 51 ILE C C 177.168 0.400 1 458 49 51 ILE CA C 65.419 0.400 1 459 49 51 ILE CB C 37.457 0.400 1 460 49 51 ILE CG1 C 28.031 0.400 1 461 49 51 ILE CG2 C 17.217 0.400 1 462 49 51 ILE CD1 C 13.575 0.400 1 463 49 51 ILE N N 120.020 0.400 1 464 50 52 LYS H H 7.564 0.020 1 465 50 52 LYS HA H 4.136 0.020 1 466 50 52 LYS HB2 H 1.850 0.020 2 467 50 52 LYS HB3 H 1.774 0.020 2 468 50 52 LYS HG2 H 1.436 0.020 2 469 50 52 LYS HG3 H 1.436 0.020 2 470 50 52 LYS HD2 H 1.730 0.020 2 471 50 52 LYS HD3 H 1.730 0.020 2 472 50 52 LYS HE2 H 2.997 0.020 2 473 50 52 LYS HE3 H 2.997 0.020 2 474 50 52 LYS C C 178.594 0.400 1 475 50 52 LYS CA C 59.302 0.400 1 476 50 52 LYS CB C 32.463 0.400 1 477 50 52 LYS CG C 25.084 0.400 1 478 50 52 LYS CD C 29.407 0.400 1 479 50 52 LYS CE C 42.227 0.400 1 480 50 52 LYS N N 115.853 0.400 1 481 51 53 TYR H H 7.425 0.020 1 482 51 53 TYR HA H 4.085 0.020 1 483 51 53 TYR HB2 H 2.833 0.020 2 484 51 53 TYR HB3 H 2.633 0.020 2 485 51 53 TYR HD1 H 6.877 0.020 1 486 51 53 TYR HD2 H 6.877 0.020 1 487 51 53 TYR HE1 H 7.075 0.020 1 488 51 53 TYR HE2 H 7.075 0.020 1 489 51 53 TYR C C 177.091 0.400 1 490 51 53 TYR CA C 61.519 0.400 1 491 51 53 TYR CB C 38.150 0.400 1 492 51 53 TYR CD1 C 131.164 0.400 1 493 51 53 TYR CE1 C 118.717 0.400 1 494 51 53 TYR N N 118.186 0.400 1 495 52 54 PHE H H 9.002 0.020 1 496 52 54 PHE HA H 4.610 0.020 1 497 52 54 PHE HB2 H 3.553 0.020 2 498 52 54 PHE HB3 H 3.553 0.020 2 499 52 54 PHE HD1 H 7.236 0.020 1 500 52 54 PHE HD2 H 7.236 0.020 1 501 52 54 PHE C C 178.353 0.400 1 502 52 54 PHE CA C 59.783 0.400 1 503 52 54 PHE CB C 37.995 0.400 1 504 52 54 PHE CD1 C 129.948 0.400 1 505 52 54 PHE N N 119.095 0.400 1 506 53 55 ASP H H 9.328 0.020 1 507 53 55 ASP HA H 4.867 0.020 1 508 53 55 ASP HB2 H 2.938 0.020 2 509 53 55 ASP HB3 H 2.791 0.020 2 510 53 55 ASP C C 179.680 0.400 1 511 53 55 ASP CA C 57.680 0.400 1 512 53 55 ASP CB C 39.702 0.400 1 513 53 55 ASP N N 121.095 0.400 1 514 54 56 LYS H H 7.857 0.020 1 515 54 56 LYS C C 177.406 0.400 1 516 54 56 LYS N N 120.463 0.400 1 517 55 57 ARG H H 8.572 0.020 1 518 55 57 ARG N N 119.410 0.400 1 519 56 58 ARG HA H 4.393 0.020 1 520 56 58 ARG HB2 H 2.370 0.020 2 521 56 58 ARG HB3 H 1.887 0.020 2 522 56 58 ARG C C 176.772 0.400 1 523 56 58 ARG CA C 55.664 0.400 1 524 56 58 ARG CB C 29.281 0.400 1 525 57 59 ASP H H 7.560 0.020 1 526 57 59 ASP HA H 5.411 0.020 1 527 57 59 ASP HB2 H 3.652 0.020 2 528 57 59 ASP HB3 H 2.626 0.020 2 529 57 59 ASP C C 176.274 0.400 1 530 57 59 ASP CA C 53.504 0.400 1 531 57 59 ASP CB C 42.524 0.400 1 532 57 59 ASP N N 115.377 0.400 1 533 58 60 TYR H H 7.687 0.020 1 534 58 60 TYR HA H 4.240 0.020 1 535 58 60 TYR HB2 H 3.511 0.020 2 536 58 60 TYR HB3 H 3.158 0.020 2 537 58 60 TYR HD1 H 6.868 0.020 1 538 58 60 TYR HD2 H 6.868 0.020 1 539 58 60 TYR HE1 H 6.669 0.020 1 540 58 60 TYR HE2 H 6.669 0.020 1 541 58 60 TYR C C 178.345 0.400 1 542 58 60 TYR CA C 60.596 0.400 1 543 58 60 TYR CB C 40.775 0.400 1 544 58 60 TYR CD1 C 132.520 0.400 1 545 58 60 TYR CE1 C 118.363 0.400 1 546 58 60 TYR N N 122.078 0.400 1 547 59 61 LEU H H 8.136 0.020 1 548 59 61 LEU HA H 3.620 0.020 1 549 59 61 LEU HB2 H 1.844 0.020 2 550 59 61 LEU HB3 H 1.125 0.020 2 551 59 61 LEU HG H 1.102 0.020 1 552 59 61 LEU HD1 H 0.512 0.020 2 553 59 61 LEU HD2 H 0.577 0.020 2 554 59 61 LEU C C 179.997 0.400 1 555 59 61 LEU CA C 58.124 0.400 1 556 59 61 LEU CB C 41.541 0.400 1 557 59 61 LEU CG C 25.439 0.400 1 558 59 61 LEU CD1 C 21.083 0.400 1 559 59 61 LEU CD2 C 26.109 0.400 1 560 59 61 LEU N N 122.915 0.400 1 561 60 62 LYS H H 8.433 0.020 1 562 60 62 LYS HA H 4.171 0.020 1 563 60 62 LYS HB2 H 1.883 0.020 2 564 60 62 LYS HB3 H 1.883 0.020 2 565 60 62 LYS HG2 H 1.549 0.020 2 566 60 62 LYS HG3 H 1.549 0.020 2 567 60 62 LYS HD2 H 1.689 0.020 2 568 60 62 LYS HD3 H 1.689 0.020 2 569 60 62 LYS HE2 H 2.967 0.020 2 570 60 62 LYS HE3 H 2.967 0.020 2 571 60 62 LYS C C 178.875 0.400 1 572 60 62 LYS CA C 57.295 0.400 1 573 60 62 LYS CB C 32.033 0.400 1 574 60 62 LYS CG C 25.395 0.400 1 575 60 62 LYS CD C 29.167 0.400 1 576 60 62 LYS CE C 42.131 0.400 1 577 60 62 LYS N N 119.809 0.400 1 578 61 63 PHE H H 7.944 0.020 1 579 61 63 PHE HA H 4.321 0.020 1 580 61 63 PHE HB2 H 3.151 0.020 2 581 61 63 PHE HB3 H 3.151 0.020 2 582 61 63 PHE HD1 H 7.417 0.020 1 583 61 63 PHE HD2 H 7.417 0.020 1 584 61 63 PHE CA C 61.087 0.400 1 585 61 63 PHE CB C 39.083 0.400 1 586 61 63 PHE CD1 C 131.441 0.400 1 587 61 63 PHE N N 120.823 0.400 1 588 62 64 LYS HA H 4.401 0.020 1 589 62 64 LYS HB2 H 1.688 0.020 2 590 62 64 LYS HB3 H 1.688 0.020 2 591 62 64 LYS HG2 H 1.389 0.020 2 592 62 64 LYS HG3 H 1.389 0.020 2 593 62 64 LYS HD2 H 1.542 0.020 2 594 62 64 LYS HD3 H 1.542 0.020 2 595 62 64 LYS HE2 H 2.825 0.020 2 596 62 64 LYS HE3 H 2.825 0.020 2 597 62 64 LYS C C 177.021 0.400 1 598 62 64 LYS CA C 63.002 0.400 1 599 62 64 LYS CB C 32.026 0.400 1 600 62 64 LYS CG C 25.067 0.400 1 601 62 64 LYS CD C 29.009 0.400 1 602 62 64 LYS CE C 42.074 0.400 1 603 63 65 GLU H H 8.655 0.020 1 604 63 65 GLU C C 177.934 0.400 1 605 63 65 GLU N N 118.011 0.400 1 606 64 66 LYS H H 8.303 0.020 1 607 64 66 LYS HA H 3.515 0.020 1 608 64 66 LYS HB2 H 1.485 0.020 2 609 64 66 LYS HB3 H 1.485 0.020 2 610 64 66 LYS C C 177.542 0.400 1 611 64 66 LYS CA C 59.048 0.400 1 612 64 66 LYS CB C 29.022 0.400 1 613 64 66 LYS N N 119.848 0.400 1 614 65 67 PHE H H 7.595 0.020 1 615 65 67 PHE HA H 4.489 0.020 1 616 65 67 PHE HB2 H 3.031 0.020 2 617 65 67 PHE HB3 H 3.031 0.020 2 618 65 67 PHE HD1 H 7.278 0.020 1 619 65 67 PHE HD2 H 7.278 0.020 1 620 65 67 PHE C C 175.170 0.400 1 621 65 67 PHE CA C 57.218 0.400 1 622 65 67 PHE CB C 39.506 0.400 1 623 65 67 PHE CD2 C 131.597 0.400 1 624 65 67 PHE N N 116.841 0.400 1 625 66 68 GLU H H 7.993 0.020 1 626 66 68 GLU HA H 4.605 0.020 1 627 66 68 GLU C C 176.953 0.400 1 628 66 68 GLU CA C 57.377 0.400 1 629 66 68 GLU N N 122.282 0.400 1 630 67 69 ALA H H 7.877 0.020 1 631 67 69 ALA HA H 4.138 0.020 1 632 67 69 ALA HB H 1.343 0.020 1 633 67 69 ALA C C 178.632 0.400 1 634 67 69 ALA CA C 53.819 0.400 1 635 67 69 ALA CB C 18.835 0.400 1 636 67 69 ALA N N 122.709 0.400 1 637 68 70 GLY H H 8.056 0.020 1 638 68 70 GLY HA2 H 3.874 0.020 2 639 68 70 GLY HA3 H 3.874 0.020 2 640 68 70 GLY C C 174.648 0.400 1 641 68 70 GLY CA C 45.739 0.400 1 642 68 70 GLY N N 106.899 0.400 1 643 69 71 GLN H H 7.769 0.020 1 644 69 71 GLN HA H 4.169 0.020 1 645 69 71 GLN HB2 H 1.852 0.020 2 646 69 71 GLN HB3 H 1.852 0.020 2 647 69 71 GLN HG2 H 2.307 0.020 2 648 69 71 GLN HG3 H 2.307 0.020 2 649 69 71 GLN HE21 H 7.450 0.020 2 650 69 71 GLN HE22 H 6.804 0.020 2 651 69 71 GLN C C 175.545 0.400 1 652 69 71 GLN CA C 56.101 0.400 1 653 69 71 GLN CB C 29.138 0.400 1 654 69 71 GLN CG C 33.394 0.400 1 655 69 71 GLN N N 118.491 0.400 1 656 69 71 GLN NE2 N 113.600 0.400 1 657 70 72 PHE H H 7.982 0.020 1 658 70 72 PHE HA H 4.353 0.020 1 659 70 72 PHE HB2 H 2.803 0.020 2 660 70 72 PHE HB3 H 2.642 0.020 2 661 70 72 PHE HD1 H 7.245 0.020 1 662 70 72 PHE HD2 H 7.245 0.020 1 663 70 72 PHE C C 178.486 0.400 1 664 70 72 PHE CA C 57.245 0.400 1 665 70 72 PHE CB C 41.138 0.400 1 666 70 72 PHE CD1 C 132.116 0.400 1 667 70 72 PHE N N 119.117 0.400 1 668 71 73 GLU H H 7.919 0.020 1 669 71 73 GLU N N 119.025 0.400 1 670 72 74 PRO HA H 4.253 0.020 1 671 72 74 PRO HB2 H 2.085 0.020 2 672 72 74 PRO HB3 H 1.851 0.020 2 673 72 74 PRO HG2 H 2.027 0.020 2 674 72 74 PRO HG3 H 2.027 0.020 2 675 72 74 PRO HD2 H 3.659 0.020 2 676 72 74 PRO HD3 H 3.718 0.020 2 677 72 74 PRO C C 176.989 0.400 1 678 72 74 PRO CA C 63.259 0.400 1 679 72 74 PRO CB C 31.977 0.400 1 680 72 74 PRO CG C 27.386 0.400 1 681 72 74 PRO CD C 50.340 0.400 1 682 73 75 SER H H 8.355 0.020 1 683 73 75 SER HA H 4.424 0.020 1 684 73 75 SER HB2 H 3.861 0.020 2 685 73 75 SER HB3 H 3.861 0.020 2 686 73 75 SER C C 174.741 0.400 1 687 73 75 SER CA C 58.394 0.400 1 688 73 75 SER CB C 64.032 0.400 1 689 73 75 SER N N 115.855 0.400 1 690 74 76 GLU H H 8.488 0.020 1 691 74 76 GLU HA H 4.383 0.020 1 692 74 76 GLU HB2 H 2.112 0.020 2 693 74 76 GLU HB3 H 1.976 0.020 2 694 74 76 GLU HG2 H 2.255 0.020 2 695 74 76 GLU HG3 H 2.255 0.020 2 696 74 76 GLU C C 176.746 0.400 1 697 74 76 GLU CA C 56.666 0.400 1 698 74 76 GLU CB C 30.348 0.400 1 699 74 76 GLU CG C 36.249 0.400 1 700 74 76 GLU N N 122.655 0.400 1 701 75 77 THR H H 8.224 0.020 1 702 75 77 THR HA H 4.422 0.020 1 703 75 77 THR HB H 4.246 0.020 1 704 75 77 THR HG2 H 1.199 0.020 1 705 75 77 THR C C 174.784 0.400 1 706 75 77 THR CA C 61.820 0.400 1 707 75 77 THR CB C 69.819 0.400 1 708 75 77 THR CG2 C 21.602 0.400 1 709 75 77 THR N N 114.900 0.400 1 710 76 78 THR H H 8.098 0.020 1 711 76 78 THR HA H 4.386 0.020 1 712 76 78 THR HB H 4.224 0.020 1 713 76 78 THR HG2 H 1.220 0.020 1 714 76 78 THR C C 174.284 0.400 1 715 76 78 THR CA C 62.008 0.400 1 716 76 78 THR CB C 69.812 0.400 1 717 76 78 THR CG2 C 21.847 0.400 1 718 76 78 THR N N 116.629 0.400 1 719 77 79 ALA H H 8.305 0.020 1 720 77 79 ALA HA H 4.332 0.020 1 721 77 79 ALA HB H 1.394 0.020 1 722 77 79 ALA C C 177.524 0.400 1 723 77 79 ALA CA C 52.537 0.400 1 724 77 79 ALA CB C 19.328 0.400 1 725 77 79 ALA N N 126.989 0.400 1 726 78 80 LYS H H 8.317 0.020 1 727 78 80 LYS HA H 4.359 0.020 1 728 78 80 LYS HB2 H 1.887 0.020 2 729 78 80 LYS HB3 H 1.756 0.020 2 730 78 80 LYS HG2 H 1.462 0.020 2 731 78 80 LYS HG3 H 1.462 0.020 2 732 78 80 LYS HD2 H 1.721 0.020 2 733 78 80 LYS HD3 H 1.721 0.020 2 734 78 80 LYS HE2 H 3.002 0.020 2 735 78 80 LYS HE3 H 3.002 0.020 2 736 78 80 LYS C C 175.886 0.400 1 737 78 80 LYS CA C 56.206 0.400 1 738 78 80 LYS CB C 33.148 0.400 1 739 78 80 LYS CG C 24.764 0.400 1 740 78 80 LYS CD C 29.246 0.400 1 741 78 80 LYS CE C 42.340 0.400 1 742 78 80 LYS N N 121.535 0.400 1 743 79 81 SER H H 7.967 0.020 1 744 79 81 SER HA H 4.433 0.020 1 745 79 81 SER HB2 H 4.028 0.020 2 746 79 81 SER HB3 H 4.028 0.020 2 747 79 81 SER C C 178.682 0.400 1 748 79 81 SER CA C 60.014 0.400 1 749 79 81 SER CB C 63.650 0.400 1 750 79 81 SER N N 122.901 0.400 1 stop_ save_