data_18850 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the Haloferax volcanii HVO_2177 protein ; _BMRB_accession_number 18850 _BMRB_flat_file_name bmr18850.str _Entry_type original _Submission_date 2012-11-21 _Accession_date 2012-11-21 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details No loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Yunfeng . . 2 Maciejewski Mark W. . 3 Martin Jonathan . . 4 Jin Kai . . 5 Zhang Yuhang . . 6 Lu Min . . 7 Maupin-Furlow Julie A. . 8 Hao Bing . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 554 "13C chemical shifts" 441 "15N chemical shifts" 98 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-17 update BMRB 'update entry citation' 2013-08-05 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Crystal structure of the ubiquitin-like small archaeal modifier protein 2 from Haloferax volcanii.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23821306 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Yunfeng . . 2 Maciejewski Mark W. . 3 Martin Jonathan . . 4 Jin Kai . . 5 Zhang Yuhang . . 6 Maupin-Furlow Julie A. . 7 Hao Bing . . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_name_full 'Protein science : a publication of the Protein Society' _Journal_volume 22 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1206 _Page_last 1217 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Haloferax volcanii HVO_2177 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Haloferax volcanii HVO_2177 protein' $Ubl_protein_HVO_2177 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Ubl_protein_HVO_2177 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Ubl_protein_HVO_2177 _Molecular_mass 11540.825 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 106 _Mol_residue_sequence ; GGGRDYKDDDDKGTMELELR FFATFREVVGQKSIYWRVDD DATVGDVLRSLEAEYDGLAG RLIEDGEVKPHVNVLKNGRE VVHLDGMATALDDGDAVSVF PPVAGG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -13 GLY 2 -12 GLY 3 -11 GLY 4 -10 ARG 5 -9 ASP 6 -8 TYR 7 -7 LYS 8 -6 ASP 9 -5 ASP 10 -4 ASP 11 -3 ASP 12 -2 LYS 13 -1 GLY 14 0 THR 15 1 MET 16 2 GLU 17 3 LEU 18 4 GLU 19 5 LEU 20 6 ARG 21 7 PHE 22 8 PHE 23 9 ALA 24 10 THR 25 11 PHE 26 12 ARG 27 13 GLU 28 14 VAL 29 15 VAL 30 16 GLY 31 17 GLN 32 18 LYS 33 19 SER 34 20 ILE 35 21 TYR 36 22 TRP 37 23 ARG 38 24 VAL 39 25 ASP 40 26 ASP 41 27 ASP 42 28 ALA 43 29 THR 44 30 VAL 45 31 GLY 46 32 ASP 47 33 VAL 48 34 LEU 49 35 ARG 50 36 SER 51 37 LEU 52 38 GLU 53 39 ALA 54 40 GLU 55 41 TYR 56 42 ASP 57 43 GLY 58 44 LEU 59 45 ALA 60 46 GLY 61 47 ARG 62 48 LEU 63 49 ILE 64 50 GLU 65 51 ASP 66 52 GLY 67 53 GLU 68 54 VAL 69 55 LYS 70 56 PRO 71 57 HIS 72 58 VAL 73 59 ASN 74 60 VAL 75 61 LEU 76 62 LYS 77 63 ASN 78 64 GLY 79 65 ARG 80 66 GLU 81 67 VAL 82 68 VAL 83 69 HIS 84 70 LEU 85 71 ASP 86 72 GLY 87 73 MET 88 74 ALA 89 75 THR 90 76 ALA 91 77 LEU 92 78 ASP 93 79 ASP 94 80 GLY 95 81 ASP 96 82 ALA 97 83 VAL 98 84 SER 99 85 VAL 100 86 PHE 101 87 PRO 102 88 PRO 103 89 VAL 104 90 ALA 105 91 GLY 106 92 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2M19 "Solution Structure Of The Haloferax Volcanii Hvo 2177 Protein" 100.00 106 100.00 100.00 2.11e-67 EMBL CQR48598 "Sulfur carrier protein CysO [Haloferax sp. Arc-Hr]" 86.79 92 97.83 97.83 1.81e-55 GB ADE02783 "molybdopterin converting factor subunit 1 [Haloferax volcanii DS2]" 86.79 113 100.00 100.00 3.64e-57 GB ELK45920 "molybdopterin converting factor subunit 1 [Haloferax sp. BAB2207]" 86.79 92 100.00 100.00 3.33e-57 GB ELY33406 "molybdopterin converting factor subunit 1 [Haloferax volcanii DS2]" 86.79 92 100.00 100.00 3.33e-57 GB ELZ55725 "molybdopterin converting factor subunit 1 [Haloferax sp. ATCC BAA-646]" 86.79 92 98.91 98.91 1.72e-56 GB ELZ67244 "molybdopterin converting factor subunit 1 [Haloferax sp. ATCC BAA-645]" 86.79 92 98.91 98.91 1.72e-56 REF WP_004042069 "MULTISPECIES: molybdopterin synthase sulfur carrier subunit [Haloferax]" 86.79 92 100.00 100.00 3.33e-57 REF WP_006601267 "MULTISPECIES: molybdopterin synthase sulfur carrier subunit [Haloferax]" 86.79 92 98.91 98.91 1.72e-56 SP D4GVB0 "RecName: Full=Small archaeal modifier protein 3; Short=SAMP3; AltName: Full=Ubiquitin-like small archaeal modifier protein 3" 86.79 92 100.00 100.00 3.33e-57 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $Ubl_protein_HVO_2177 'Haloferax volcanii' 2246 Archaea . Haloferax volcanii DS2 HVO_2177 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $Ubl_protein_HVO_2177 'recombinant technology' . Escherichia coli BL21 DE3 pET15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ubl_protein_HVO_2177 1 mM '[U-99% 13C; U-99% 15N]' NaCl 500 mM 'natural abundance' 'Na-K phosphate' 25 mM 'natural abundance' EDTA 0.2 mM 'natural abundance' NaN3 0.02 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ubl_protein_HVO_2177 1 mM '[U-99% 13C; U-99% 15N]' NaCl 500 mM 'natural abundance' 'Na-K phosphate' 25 mM 'natural abundance' EDTA 0.2 mM 'natural abundance' NaN3 0.02 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version 3.1 loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_Rowland_NMR_Toolkit _Saveframe_category software _Name 'Rowland NMR Toolkit' _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Hoch, Jeffrey C. & Stern, Alan S.' . hoch@uchc.edu stop_ loop_ _Task processing stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_TALOS+ _Saveframe_category software _Name TALOS+ _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . 'Shen, Delaglio, Cornilescu, and Bax' . . stop_ loop_ _Task 'torsion angle restraints' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR600 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMRS _Field_strength 600 _Details . save_ save_NMR800 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMRS _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '1 mM protein, 25 mM Na-K phosphate, pH 7.2, 500 mM NaCl, 0.2 mM EDTA, 10% D2O, 0.02% NaN3' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.5 . M pH 7.2 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.772 na indirect . . . 0.251449530 water H 1 protons ppm 4.772 internal direct . . . 1.0 water N 15 protons ppm 4.772 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HCACO' '3D HCCH-TOCSY' '2D 1H-13C HSQC aromatic' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Haloferax volcanii HVO_2177 protein' _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 -11 3 GLY HA2 H 3.903 0.020 1 2 -11 3 GLY C C 174.164 0.200 1 3 -11 3 GLY CA C 45.228 0.200 1 4 -10 4 ARG H H 8.218 0.020 1 5 -10 4 ARG HA H 4.299 0.020 1 6 -10 4 ARG HB2 H 1.695 0.020 1 7 -10 4 ARG HG2 H 1.753 0.020 1 8 -10 4 ARG HD2 H 3.085 0.020 1 9 -10 4 ARG C C 175.927 0.200 1 10 -10 4 ARG CA C 56.069 0.200 1 11 -10 4 ARG CB C 30.844 0.200 1 12 -10 4 ARG CG C 26.876 0.200 1 13 -10 4 ARG CD C 43.263 0.200 1 14 -10 4 ARG N N 120.532 0.200 1 15 -9 5 ASP H H 8.390 0.020 1 16 -9 5 ASP HA H 4.572 0.020 1 17 -9 5 ASP HB2 H 2.578 0.020 2 18 -9 5 ASP HB3 H 2.699 0.020 2 19 -9 5 ASP C C 175.763 0.200 1 20 -9 5 ASP CA C 54.247 0.200 1 21 -9 5 ASP CB C 41.136 0.200 1 22 -9 5 ASP N N 121.418 0.200 1 23 -8 6 TYR H H 8.019 0.020 1 24 -8 6 TYR HA H 4.510 0.020 1 25 -8 6 TYR HB2 H 3.012 0.020 2 26 -8 6 TYR HB3 H 2.913 0.020 2 27 -8 6 TYR HD1 H 7.103 0.020 3 28 -8 6 TYR HD2 H 7.103 0.020 3 29 -8 6 TYR HE1 H 6.827 0.020 3 30 -8 6 TYR HE2 H 6.827 0.020 3 31 -8 6 TYR C C 175.528 0.200 1 32 -8 6 TYR CA C 57.982 0.200 1 33 -8 6 TYR CB C 38.757 0.200 1 34 -8 6 TYR CD1 C 133.265 0.200 3 35 -8 6 TYR CD2 C 133.265 0.200 3 36 -8 6 TYR CE1 C 118.139 0.200 3 37 -8 6 TYR CE2 C 118.139 0.200 3 38 -8 6 TYR N N 120.455 0.200 1 39 -7 7 LYS H H 8.163 0.020 1 40 -7 7 LYS HA H 4.266 0.020 1 41 -7 7 LYS HB2 H 1.666 0.020 2 42 -7 7 LYS HB3 H 1.777 0.020 2 43 -7 7 LYS HG2 H 1.298 0.020 2 44 -7 7 LYS HD2 H 1.621 0.020 2 45 -7 7 LYS HE2 H 2.969 0.020 1 46 -7 7 LYS C C 176.021 0.200 1 47 -7 7 LYS CA C 56.096 0.200 1 48 -7 7 LYS CB C 33.332 0.200 1 49 -7 7 LYS CG C 24.483 0.200 1 50 -7 7 LYS CD C 28.906 0.200 1 51 -7 7 LYS CE C 42.030 0.200 1 52 -7 7 LYS N N 123.104 0.200 1 53 -6 8 ASP H H 8.237 0.020 1 54 -6 8 ASP N N 121.396 0.200 1 55 -3 11 ASP HA H 4.237 0.020 1 56 -3 11 ASP HB2 H 3.606 0.020 1 57 -3 11 ASP C C 176.256 0.200 1 58 -3 11 ASP CA C 54.309 0.200 1 59 -3 11 ASP CB C 41.158 0.200 1 60 -2 12 LYS H H 8.011 0.020 1 61 -2 12 LYS HA H 4.278 0.020 1 62 -2 12 LYS HB2 H 1.751 0.020 2 63 -2 12 LYS HB3 H 1.843 0.020 2 64 -2 12 LYS HG2 H 1.452 0.020 2 65 -2 12 LYS HG3 H 1.335 0.020 2 66 -2 12 LYS HD2 H 1.650 0.020 1 67 -2 12 LYS HE2 H 2.955 0.020 1 68 -2 12 LYS C C 177.138 0.200 1 69 -2 12 LYS CA C 56.568 0.200 1 70 -2 12 LYS CB C 33.057 0.200 1 71 -2 12 LYS CG C 24.556 0.200 1 72 -2 12 LYS CD C 28.906 0.200 1 73 -2 12 LYS CE C 42.103 0.200 1 74 -2 12 LYS N N 121.971 0.200 1 75 -1 13 GLY H H 8.542 0.020 1 76 -1 13 GLY HA2 H 3.926 0.020 2 77 -1 13 GLY HA3 H 4.162 0.020 2 78 -1 13 GLY C C 174.094 0.200 1 79 -1 13 GLY CA C 45.474 0.200 1 80 -1 13 GLY N N 111.332 0.200 1 81 0 14 THR H H 7.933 0.020 1 82 0 14 THR HA H 5.138 0.020 1 83 0 14 THR HB H 4.059 0.020 1 84 0 14 THR HG2 H 1.056 0.020 1 85 0 14 THR C C 173.353 0.200 1 86 0 14 THR CA C 60.193 0.200 1 87 0 14 THR CB C 72.951 0.200 1 88 0 14 THR CG2 C 21.148 0.200 1 89 0 14 THR N N 110.402 0.200 1 90 1 15 MET H H 9.373 0.020 1 91 1 15 MET HA H 4.813 0.020 1 92 1 15 MET HB2 H 1.932 0.020 2 93 1 15 MET HB3 H 1.941 0.020 2 94 1 15 MET HG2 H 2.137 0.020 2 95 1 15 MET HG3 H 2.262 0.020 2 96 1 15 MET HE H 2.114 0.020 1 97 1 15 MET C C 172.295 0.200 1 98 1 15 MET CA C 54.284 0.200 1 99 1 15 MET CB C 35.591 0.200 1 100 1 15 MET CG C 30.864 0.200 1 101 1 15 MET CE C 19.378 0.200 1 102 1 15 MET N N 118.897 0.200 1 103 2 16 GLU H H 9.237 0.020 1 104 2 16 GLU HA H 5.256 0.020 1 105 2 16 GLU HB2 H 1.866 0.020 2 106 2 16 GLU HB3 H 2.182 0.020 2 107 2 16 GLU HG2 H 2.199 0.020 1 108 2 16 GLU HG3 H 2.199 0.020 1 109 2 16 GLU C C 174.822 0.200 1 110 2 16 GLU CA C 55.480 0.200 1 111 2 16 GLU CB C 32.756 0.200 1 112 2 16 GLU CG C 38.422 0.200 1 113 2 16 GLU N N 122.636 0.200 1 114 3 17 LEU H H 9.096 0.020 1 115 3 17 LEU HA H 5.114 0.020 1 116 3 17 LEU HB2 H 1.659 0.020 2 117 3 17 LEU HB3 H 1.397 0.020 2 118 3 17 LEU HG H 1.692 0.020 1 119 3 17 LEU HD1 H 0.876 0.020 2 120 3 17 LEU HD2 H 0.952 0.020 2 121 3 17 LEU C C 175.434 0.200 1 122 3 17 LEU CA C 52.689 0.200 1 123 3 17 LEU CB C 46.507 0.200 1 124 3 17 LEU CG C 27.250 0.200 1 125 3 17 LEU CD1 C 28.773 0.200 2 126 3 17 LEU CD2 C 24.991 0.200 2 127 3 17 LEU N N 125.615 0.200 1 128 4 18 GLU H H 8.428 0.020 1 129 4 18 GLU HA H 4.459 0.020 1 130 4 18 GLU HB2 H 1.760 0.020 2 131 4 18 GLU HB3 H 1.874 0.020 2 132 4 18 GLU HG2 H 1.575 0.020 2 133 4 18 GLU HG3 H 1.603 0.020 2 134 4 18 GLU C C 173.953 0.200 1 135 4 18 GLU CA C 54.465 0.200 1 136 4 18 GLU CB C 31.480 0.200 1 137 4 18 GLU CG C 35.940 0.200 1 138 4 18 GLU N N 122.713 0.200 1 139 5 19 LEU H H 8.989 0.020 1 140 5 19 LEU HA H 5.000 0.020 1 141 5 19 LEU HB2 H 1.525 0.020 2 142 5 19 LEU HB3 H 0.661 0.020 2 143 5 19 LEU HG H 1.234 0.020 1 144 5 19 LEU HD1 H 0.070 0.020 2 145 5 19 LEU HD2 H 0.412 0.020 2 146 5 19 LEU C C 174.869 0.200 1 147 5 19 LEU CA C 52.387 0.200 1 148 5 19 LEU CB C 42.675 0.200 1 149 5 19 LEU CG C 27.503 0.200 1 150 5 19 LEU CD1 C 25.426 0.200 2 151 5 19 LEU CD2 C 24.411 0.200 2 152 5 19 LEU N N 128.582 0.200 1 153 6 20 ARG H H 8.542 0.020 1 154 6 20 ARG HA H 4.909 0.020 1 155 6 20 ARG HB2 H 1.537 0.020 2 156 6 20 ARG HB3 H 1.630 0.020 2 157 6 20 ARG HG2 H 1.379 0.020 2 158 6 20 ARG HG3 H 1.226 0.020 2 159 6 20 ARG HD2 H 2.958 0.020 2 160 6 20 ARG HD3 H 3.009 0.020 2 161 6 20 ARG C C 174.094 0.200 1 162 6 20 ARG CA C 53.958 0.200 1 163 6 20 ARG CB C 33.054 0.200 1 164 6 20 ARG CG C 27.311 0.200 1 165 6 20 ARG CD C 43.843 0.200 1 166 6 20 ARG N N 120.502 0.200 1 167 7 21 PHE H H 8.097 0.020 1 168 7 21 PHE HA H 4.931 0.020 1 169 7 21 PHE HB2 H 2.512 0.020 2 170 7 21 PHE HB3 H 2.572 0.020 2 171 7 21 PHE HD1 H 6.867 0.020 3 172 7 21 PHE HD2 H 6.867 0.020 3 173 7 21 PHE HE1 H 6.713 0.020 3 174 7 21 PHE HE2 H 6.713 0.020 3 175 7 21 PHE HZ H 6.675 0.020 1 176 7 21 PHE C C 175.175 0.200 1 177 7 21 PHE CA C 57.185 0.200 1 178 7 21 PHE CB C 42.438 0.200 1 179 7 21 PHE CD1 C 131.810 0.200 3 180 7 21 PHE CD2 C 131.810 0.200 3 181 7 21 PHE CE1 C 130.193 0.200 3 182 7 21 PHE CE2 C 130.193 0.200 3 183 7 21 PHE CZ C 128.751 0.200 1 184 7 21 PHE N N 118.205 0.200 1 185 8 22 PHE H H 6.785 0.020 1 186 8 22 PHE HA H 4.515 0.020 1 187 8 22 PHE HB2 H 3.192 0.020 2 188 8 22 PHE HB3 H 2.345 0.020 2 189 8 22 PHE HD1 H 6.790 0.020 3 190 8 22 PHE HD2 H 6.790 0.020 3 191 8 22 PHE HE1 H 6.929 0.020 3 192 8 22 PHE HE2 H 6.929 0.020 3 193 8 22 PHE HZ H 7.112 0.020 1 194 8 22 PHE C C 174.270 0.200 1 195 8 22 PHE CA C 57.211 0.200 1 196 8 22 PHE CB C 43.500 0.200 1 197 8 22 PHE CD1 C 132.079 0.200 3 198 8 22 PHE CD2 C 132.079 0.200 3 199 8 22 PHE CE1 C 130.793 0.200 3 200 8 22 PHE CE2 C 130.793 0.200 3 201 8 22 PHE CZ C 129.028 0.200 1 202 8 22 PHE N N 117.421 0.200 1 203 9 23 ALA HA H 4.049 0.020 1 204 9 23 ALA HB H 1.577 0.020 1 205 9 23 ALA CA C 53.403 0.200 1 206 9 23 ALA CB C 17.855 0.200 1 207 10 24 THR HA H 4.049 0.020 1 208 10 24 THR HB H 4.051 0.020 1 209 10 24 THR HG2 H 1.308 0.020 1 210 10 24 THR C C 176.821 0.200 1 211 10 24 THR CA C 65.403 0.200 1 212 10 24 THR CB C 68.798 0.200 1 213 10 24 THR CG2 C 22.308 0.200 1 214 11 25 PHE H H 7.454 0.020 1 215 11 25 PHE HA H 4.681 0.020 1 216 11 25 PHE HB2 H 3.538 0.020 2 217 11 25 PHE HB3 H 3.271 0.020 2 218 11 25 PHE HD1 H 7.084 0.020 3 219 11 25 PHE HD2 H 7.084 0.020 3 220 11 25 PHE HE1 H 7.241 0.020 3 221 11 25 PHE HE2 H 7.241 0.020 3 222 11 25 PHE HZ H 7.355 0.020 1 223 11 25 PHE C C 177.350 0.200 1 224 11 25 PHE CA C 56.351 0.200 1 225 11 25 PHE CB C 36.644 0.200 1 226 11 25 PHE CD1 C 129.594 0.200 3 227 11 25 PHE CD2 C 129.594 0.200 3 228 11 25 PHE CE1 C 131.958 0.200 3 229 11 25 PHE CE2 C 131.958 0.200 3 230 11 25 PHE CZ C 130.014 0.200 1 231 11 25 PHE N N 116.872 0.200 1 232 12 26 ARG H H 7.045 0.020 1 233 12 26 ARG HA H 3.647 0.020 1 234 12 26 ARG HB2 H 1.309 0.020 2 235 12 26 ARG HB3 H 1.928 0.020 2 236 12 26 ARG HG2 H 1.368 0.020 2 237 12 26 ARG HG3 H 1.277 0.020 2 238 12 26 ARG HD2 H 3.002 0.020 2 239 12 26 ARG HD3 H 3.023 0.020 2 240 12 26 ARG C C 178.114 0.200 1 241 12 26 ARG CA C 58.634 0.200 1 242 12 26 ARG CB C 29.291 0.200 1 243 12 26 ARG CG C 25.716 0.200 1 244 12 26 ARG CD C 43.500 0.200 1 245 12 26 ARG N N 121.435 0.200 1 246 13 27 GLU H H 7.312 0.020 1 247 13 27 GLU HA H 3.910 0.020 1 248 13 27 GLU HB2 H 2.098 0.020 2 249 13 27 GLU HB3 H 2.183 0.020 2 250 13 27 GLU HG2 H 2.262 0.020 2 251 13 27 GLU HG3 H 2.190 0.020 1 252 13 27 GLU C C 178.360 0.200 1 253 13 27 GLU CA C 58.743 0.200 1 254 13 27 GLU CB C 29.027 0.200 1 255 13 27 GLU CG C 36.390 0.200 1 256 13 27 GLU N N 118.241 0.200 1 257 14 28 VAL H H 7.285 0.020 1 258 14 28 VAL HA H 3.666 0.020 1 259 14 28 VAL HB H 1.935 0.020 1 260 14 28 VAL HG1 H 1.077 0.020 2 261 14 28 VAL HG2 H 0.736 0.020 2 262 14 28 VAL C C 177.255 0.200 1 263 14 28 VAL CA C 65.337 0.200 1 264 14 28 VAL CB C 32.309 0.200 1 265 14 28 VAL CG1 C 21.663 0.200 2 266 14 28 VAL CG2 C 21.366 0.200 2 267 14 28 VAL N N 116.891 0.200 1 268 15 29 VAL H H 7.194 0.020 1 269 15 29 VAL HA H 3.241 0.020 1 270 15 29 VAL HB H 1.210 0.020 1 271 15 29 VAL HG1 H 0.069 0.020 2 272 15 29 VAL HG2 H -0.680 0.020 2 273 15 29 VAL C C 177.067 0.200 1 274 15 29 VAL CA C 64.321 0.200 1 275 15 29 VAL CB C 31.958 0.200 1 276 15 29 VAL CG1 C 20.140 0.200 2 277 15 29 VAL CG2 C 20.140 0.200 2 278 15 29 VAL N N 116.993 0.200 1 279 16 30 GLY H H 8.054 0.020 1 280 16 30 GLY HA2 H 4.222 0.020 2 281 16 30 GLY HA3 H 3.608 0.020 2 282 16 30 GLY C C 173.459 0.200 1 283 16 30 GLY CA C 44.966 0.200 1 284 16 30 GLY N N 107.110 0.200 1 285 17 31 GLN H H 7.050 0.020 1 286 17 31 GLN HA H 4.542 0.020 1 287 17 31 GLN HB2 H 1.580 0.020 2 288 17 31 GLN HB3 H 2.294 0.020 2 289 17 31 GLN HG2 H 2.173 0.020 2 290 17 31 GLN HG3 H 2.238 0.020 2 291 17 31 GLN HE21 H 6.956 0.020 1 292 17 31 GLN HE22 H 7.677 0.020 1 293 17 31 GLN C C 173.435 0.200 1 294 17 31 GLN CA C 53.885 0.200 1 295 17 31 GLN CB C 33.085 0.200 1 296 17 31 GLN CG C 32.836 0.200 1 297 17 31 GLN N N 114.225 0.200 1 298 17 31 GLN NE2 N 112.346 0.200 1 299 18 32 LYS H H 8.398 0.020 1 300 18 32 LYS HA H 3.990 0.020 1 301 18 32 LYS HB2 H 1.695 0.020 2 302 18 32 LYS HB3 H 1.727 0.020 2 303 18 32 LYS HG2 H 1.289 0.020 2 304 18 32 LYS HG3 H 1.285 0.020 2 305 18 32 LYS HD2 H 1.619 0.020 2 306 18 32 LYS HD3 H 1.608 0.020 2 307 18 32 LYS HE2 H 2.873 0.020 2 308 18 32 LYS HE3 H 2.873 0.020 2 309 18 32 LYS C C 175.880 0.200 1 310 18 32 LYS CA C 58.852 0.200 1 311 18 32 LYS CB C 32.822 0.200 1 312 18 32 LYS CG C 24.701 0.200 1 313 18 32 LYS CD C 29.631 0.200 1 314 18 32 LYS CE C 41.723 0.200 1 315 18 32 LYS N N 117.725 0.200 1 316 19 33 SER H H 7.552 0.020 1 317 19 33 SER HA H 5.658 0.020 1 318 19 33 SER HB2 H 3.486 0.020 2 319 19 33 SER HB3 H 3.547 0.020 2 320 19 33 SER C C 173.294 0.200 1 321 19 33 SER CA C 56.604 0.200 1 322 19 33 SER CB C 65.282 0.200 1 323 19 33 SER N N 111.541 0.200 1 324 20 34 ILE H H 8.869 0.020 1 325 20 34 ILE HA H 4.531 0.020 1 326 20 34 ILE HB H 1.896 0.020 1 327 20 34 ILE HG12 H 1.227 0.020 1 328 20 34 ILE HG13 H 1.067 0.020 1 329 20 34 ILE HG2 H 0.855 0.020 1 330 20 34 ILE HD1 H 0.754 0.020 1 331 20 34 ILE C C 173.388 0.200 1 332 20 34 ILE CA C 59.497 0.200 1 333 20 34 ILE CB C 42.009 0.200 1 334 20 34 ILE CG1 C 26.514 0.200 1 335 20 34 ILE CG2 C 17.601 0.200 1 336 20 34 ILE CD1 C 13.172 0.200 1 337 20 34 ILE N N 119.365 0.200 1 338 21 35 TYR H H 8.568 0.020 1 339 21 35 TYR HA H 5.524 0.020 1 340 21 35 TYR HB2 H 2.833 0.020 2 341 21 35 TYR HB3 H 2.908 0.020 2 342 21 35 TYR HD1 H 7.094 0.020 3 343 21 35 TYR HD2 H 7.094 0.020 3 344 21 35 TYR HE1 H 6.767 0.020 3 345 21 35 TYR HE2 H 6.767 0.020 3 346 21 35 TYR C C 175.927 0.200 1 347 21 35 TYR CA C 57.257 0.200 1 348 21 35 TYR CB C 39.701 0.200 1 349 21 35 TYR CD1 C 133.110 0.200 3 350 21 35 TYR CD2 C 133.110 0.200 3 351 21 35 TYR CE1 C 117.634 0.200 3 352 21 35 TYR CE2 C 117.634 0.200 3 353 21 35 TYR N N 121.568 0.200 1 354 22 36 TRP H H 9.178 0.020 1 355 22 36 TRP HA H 5.251 0.020 1 356 22 36 TRP HB2 H 3.135 0.020 1 357 22 36 TRP HB3 H 2.901 0.020 1 358 22 36 TRP HD1 H 7.171 0.020 1 359 22 36 TRP HE1 H 10.350 0.020 1 360 22 36 TRP HE3 H 7.366 0.020 1 361 22 36 TRP HZ2 H 7.368 0.020 1 362 22 36 TRP HZ3 H 7.155 0.020 1 363 22 36 TRP HH2 H 6.868 0.020 1 364 22 36 TRP C C 174.787 0.200 1 365 22 36 TRP CA C 54.465 0.200 1 366 22 36 TRP CB C 35.215 0.200 1 367 22 36 TRP CD1 C 124.078 0.200 1 368 22 36 TRP CE3 C 120.214 0.200 1 369 22 36 TRP CZ2 C 114.204 0.200 1 370 22 36 TRP CZ3 C 121.241 0.200 1 371 22 36 TRP CH2 C 124.014 0.200 1 372 22 36 TRP N N 125.691 0.200 1 373 22 36 TRP NE1 N 128.252 0.200 1 374 23 37 ARG H H 8.380 0.020 1 375 23 37 ARG HA H 5.406 0.020 1 376 23 37 ARG HB2 H 1.695 0.020 2 377 23 37 ARG HB3 H 1.647 0.020 2 378 23 37 ARG HG2 H 1.620 0.020 2 379 23 37 ARG HG3 H 1.368 0.020 2 380 23 37 ARG HD2 H 3.105 0.020 2 381 23 37 ARG HD3 H 3.178 0.020 2 382 23 37 ARG C C 175.927 0.200 1 383 23 37 ARG CA C 55.263 0.200 1 384 23 37 ARG CB C 30.830 0.200 1 385 23 37 ARG CG C 27.601 0.200 1 386 23 37 ARG CD C 42.900 0.200 1 387 23 37 ARG N N 123.824 0.200 1 388 24 38 VAL H H 8.783 0.020 1 389 24 38 VAL HA H 4.718 0.020 1 390 24 38 VAL HB H 2.327 0.020 1 391 24 38 VAL HG1 H 0.962 0.020 2 392 24 38 VAL HG2 H 0.804 0.020 2 393 24 38 VAL C C 174.411 0.200 1 394 24 38 VAL CA C 58.453 0.200 1 395 24 38 VAL CB C 36.137 0.200 1 396 24 38 VAL CG1 C 22.679 0.200 2 397 24 38 VAL CG2 C 19.770 0.200 2 398 24 38 VAL N N 118.260 0.200 1 399 25 39 ASP H H 8.344 0.020 1 400 25 39 ASP HA H 4.714 0.020 1 401 25 39 ASP HB2 H 2.833 0.020 2 402 25 39 ASP HB3 H 2.614 0.020 2 403 25 39 ASP C C 176.915 0.200 1 404 25 39 ASP CA C 55.263 0.200 1 405 25 39 ASP CB C 41.924 0.200 1 406 25 39 ASP N N 121.307 0.200 1 407 26 40 ASP H H 8.051 0.020 1 408 26 40 ASP HA H 4.380 0.020 1 409 26 40 ASP HB2 H 2.977 0.020 2 410 26 40 ASP HB3 H 2.129 0.020 2 411 26 40 ASP C C 175.281 0.200 1 412 26 40 ASP CA C 55.516 0.200 1 413 26 40 ASP CB C 40.022 0.200 1 414 26 40 ASP N N 118.495 0.200 1 415 27 41 ASP H H 7.938 0.020 1 416 27 41 ASP HA H 4.742 0.020 1 417 27 41 ASP HB2 H 2.943 0.020 2 418 27 41 ASP HB3 H 2.616 0.020 2 419 27 41 ASP C C 176.915 0.200 1 420 27 41 ASP CA C 52.362 0.200 1 421 27 41 ASP CB C 40.072 0.200 1 422 27 41 ASP N N 116.103 0.200 1 423 28 42 ALA H H 7.744 0.020 1 424 28 42 ALA HA H 4.417 0.020 1 425 28 42 ALA HB H 1.451 0.020 1 426 28 42 ALA C C 177.373 0.200 1 427 28 42 ALA CA C 53.403 0.200 1 428 28 42 ALA CB C 19.372 0.200 1 429 28 42 ALA N N 124.052 0.200 1 430 29 43 THR H H 8.694 0.020 1 431 29 43 THR HA H 4.930 0.020 1 432 29 43 THR HB H 4.509 0.020 1 433 29 43 THR HG2 H 1.178 0.020 1 434 29 43 THR C C 177.067 0.200 1 435 29 43 THR CA C 59.178 0.200 1 436 29 43 THR CB C 73.462 0.200 1 437 29 43 THR CG2 C 22.018 0.200 1 438 29 43 THR N N 110.406 0.200 1 439 30 44 VAL H H 8.775 0.020 1 440 30 44 VAL HA H 3.444 0.020 1 441 30 44 VAL HB H 2.018 0.020 1 442 30 44 VAL HG1 H 0.980 0.020 2 443 30 44 VAL HG2 H 0.880 0.020 2 444 30 44 VAL C C 177.185 0.200 1 445 30 44 VAL CA C 67.625 0.200 1 446 30 44 VAL CB C 32.074 0.200 1 447 30 44 VAL CG1 C 24.483 0.200 2 448 30 44 VAL CG2 C 21.583 0.200 2 449 30 44 VAL N N 119.256 0.200 1 450 31 45 GLY H H 9.272 0.020 1 451 31 45 GLY HA2 H 3.782 0.020 2 452 31 45 GLY HA3 H 3.867 0.020 2 453 31 45 GLY C C 175.422 0.200 1 454 31 45 GLY CA C 48.664 0.200 1 455 31 45 GLY N N 107.468 0.200 1 456 32 46 ASP H H 7.459 0.020 1 457 32 46 ASP HA H 4.413 0.020 1 458 32 46 ASP HB2 H 3.084 0.020 2 459 32 46 ASP HB3 H 2.873 0.020 2 460 32 46 ASP C C 179.301 0.200 1 461 32 46 ASP CA C 57.692 0.200 1 462 32 46 ASP CB C 41.204 0.200 1 463 32 46 ASP N N 120.430 0.200 1 464 33 47 VAL H H 7.936 0.020 1 465 33 47 VAL HA H 3.774 0.020 1 466 33 47 VAL HB H 2.302 0.020 1 467 33 47 VAL HG1 H 0.980 0.020 2 468 33 47 VAL HG2 H 0.779 0.020 2 469 33 47 VAL C C 178.067 0.200 1 470 33 47 VAL CA C 66.792 0.200 1 471 33 47 VAL CB C 31.618 0.200 1 472 33 47 VAL CG1 C 23.323 0.200 2 473 33 47 VAL CG2 C 21.663 0.200 2 474 33 47 VAL N N 121.415 0.200 1 475 34 48 LEU H H 8.626 0.020 1 476 34 48 LEU HA H 3.990 0.020 1 477 34 48 LEU HB2 H 1.914 0.020 2 478 34 48 LEU HB3 H 1.282 0.020 2 479 34 48 LEU HG H 2.096 0.020 1 480 34 48 LEU HD1 H 0.875 0.020 2 481 34 48 LEU HD2 H 0.747 0.020 2 482 34 48 LEU C C 178.878 0.200 1 483 34 48 LEU CA C 58.381 0.200 1 484 34 48 LEU CB C 40.896 0.200 1 485 34 48 LEU CG C 26.488 0.200 1 486 34 48 LEU CD1 C 26.659 0.200 2 487 34 48 LEU CD2 C 21.656 0.200 2 488 34 48 LEU N N 118.789 0.200 1 489 35 49 ARG H H 8.324 0.020 1 490 35 49 ARG HA H 3.863 0.020 1 491 35 49 ARG HB2 H 2.049 0.020 2 492 35 49 ARG HB3 H 1.843 0.020 2 493 35 49 ARG HG2 H 1.806 0.020 2 494 35 49 ARG HG3 H 1.551 0.020 2 495 35 49 ARG HD2 H 3.329 0.020 2 496 35 49 ARG HD3 H 3.095 0.020 2 497 35 49 ARG C C 180.276 0.200 1 498 35 49 ARG CA C 60.258 0.200 1 499 35 49 ARG CB C 30.798 0.200 1 500 35 49 ARG CG C 29.281 0.200 1 501 35 49 ARG CD C 43.263 0.200 1 502 35 49 ARG N N 118.530 0.200 1 503 36 50 SER H H 8.312 0.020 1 504 36 50 SER HA H 4.392 0.020 1 505 36 50 SER HB2 H 4.142 0.020 2 506 36 50 SER HB3 H 4.384 0.020 2 507 36 50 SER C C 177.009 0.200 1 508 36 50 SER CA C 62.477 0.200 1 509 36 50 SER CB C 63.051 0.200 1 510 36 50 SER N N 117.304 0.200 1 511 37 51 LEU H H 8.611 0.020 1 512 37 51 LEU HA H 4.226 0.020 1 513 37 51 LEU HB2 H 2.161 0.020 2 514 37 51 LEU HB3 H 1.173 0.020 2 515 37 51 LEU HG H 1.694 0.020 1 516 37 51 LEU HD1 H 0.506 0.020 2 517 37 51 LEU HD2 H 0.668 0.020 2 518 37 51 LEU C C 178.642 0.200 1 519 37 51 LEU CA C 58.453 0.200 1 520 37 51 LEU CB C 42.606 0.200 1 521 37 51 LEU CG C 26.234 0.200 1 522 37 51 LEU CD1 C 23.187 0.200 2 523 37 51 LEU CD2 C 25.726 0.200 2 524 37 51 LEU N N 124.397 0.200 1 525 38 52 GLU H H 7.766 0.020 1 526 38 52 GLU HA H 3.721 0.020 1 527 38 52 GLU HB2 H 2.218 0.020 2 528 38 52 GLU HB3 H 2.086 0.020 2 529 38 52 GLU HG2 H 2.804 0.020 2 530 38 52 GLU HG3 H 2.205 0.020 2 531 38 52 GLU C C 176.950 0.200 1 532 38 52 GLU CA C 61.020 0.200 1 533 38 52 GLU CB C 29.735 0.200 1 534 38 52 GLU CG C 37.897 0.200 1 535 38 52 GLU N N 116.114 0.200 1 536 39 53 ALA H H 7.402 0.020 1 537 39 53 ALA HA H 4.217 0.020 1 538 39 53 ALA HB H 1.530 0.020 1 539 39 53 ALA C C 178.901 0.200 1 540 39 53 ALA CA C 53.403 0.200 1 541 39 53 ALA CB C 18.828 0.200 1 542 39 53 ALA N N 117.203 0.200 1 543 40 54 GLU H H 7.897 0.020 1 544 40 54 GLU HA H 4.124 0.020 1 545 40 54 GLU HB2 H 1.847 0.020 2 546 40 54 GLU HB3 H 2.075 0.020 2 547 40 54 GLU HG2 H 2.112 0.020 2 548 40 54 GLU HG3 H 1.802 0.020 2 549 40 54 GLU C C 176.386 0.200 1 550 40 54 GLU CA C 57.402 0.200 1 551 40 54 GLU CB C 31.003 0.200 1 552 40 54 GLU CG C 35.287 0.200 1 553 40 54 GLU N N 117.510 0.200 1 554 41 55 TYR H H 7.835 0.020 1 555 41 55 TYR HA H 4.645 0.020 1 556 41 55 TYR HB2 H 2.782 0.020 1 557 41 55 TYR HB3 H 2.535 0.020 1 558 41 55 TYR HD1 H 7.190 0.020 3 559 41 55 TYR HD2 H 7.190 0.020 3 560 41 55 TYR HE1 H 6.749 0.020 3 561 41 55 TYR HE2 H 6.749 0.020 3 562 41 55 TYR C C 175.457 0.200 1 563 41 55 TYR CA C 56.423 0.200 1 564 41 55 TYR CB C 38.479 0.200 1 565 41 55 TYR CD1 C 133.459 0.200 3 566 41 55 TYR CD2 C 133.459 0.200 3 567 41 55 TYR CE1 C 117.879 0.200 3 568 41 55 TYR CE2 C 117.879 0.200 3 569 41 55 TYR N N 116.741 0.200 1 570 42 56 ASP H H 8.762 0.020 1 571 42 56 ASP HA H 4.417 0.020 1 572 42 56 ASP HB2 H 2.696 0.020 2 573 42 56 ASP HB3 H 2.693 0.020 2 574 42 56 ASP C C 179.254 0.200 1 575 42 56 ASP CA C 57.366 0.200 1 576 42 56 ASP CB C 40.246 0.200 1 577 42 56 ASP N N 126.302 0.200 1 578 43 57 GLY H H 9.069 0.020 1 579 43 57 GLY HA2 H 4.124 0.020 2 580 43 57 GLY HA3 H 3.652 0.020 2 581 43 57 GLY C C 173.988 0.200 1 582 43 57 GLY CA C 46.163 0.200 1 583 43 57 GLY N N 104.595 0.200 1 584 44 58 LEU H H 7.979 0.020 1 585 44 58 LEU HA H 4.322 0.020 1 586 44 58 LEU HB2 H 1.928 0.020 2 587 44 58 LEU HB3 H 1.221 0.020 2 588 44 58 LEU HG H 1.206 0.020 1 589 44 58 LEU HD1 H 0.163 0.020 2 590 44 58 LEU HD2 H 0.388 0.020 2 591 44 58 LEU C C 176.456 0.200 1 592 44 58 LEU CA C 53.890 0.200 1 593 44 58 LEU CB C 41.668 0.200 1 594 44 58 LEU CG C 26.488 0.200 1 595 44 58 LEU CD1 C 22.091 0.200 2 596 44 58 LEU CD2 C 25.861 0.200 2 597 44 58 LEU N N 115.649 0.200 1 598 45 59 ALA H H 7.330 0.020 1 599 45 59 ALA HA H 3.929 0.020 1 600 45 59 ALA HB H 1.602 0.020 1 601 45 59 ALA C C 179.042 0.200 1 602 45 59 ALA CA C 54.418 0.200 1 603 45 59 ALA CB C 17.958 0.200 1 604 45 59 ALA N N 124.270 0.200 1 605 46 60 GLY H H 8.393 0.020 1 606 46 60 GLY HA2 H 4.189 0.020 2 607 46 60 GLY HA3 H 4.190 0.020 2 608 46 60 GLY C C 174.446 0.200 1 609 46 60 GLY CA C 46.018 0.200 1 610 46 60 GLY N N 111.754 0.200 1 611 47 61 ARG H H 8.214 0.020 1 612 47 61 ARG HA H 4.470 0.020 1 613 47 61 ARG HB2 H 2.153 0.020 2 614 47 61 ARG HB3 H 1.698 0.020 2 615 47 61 ARG HG2 H 1.526 0.020 2 616 47 61 ARG HG3 H 1.709 0.020 2 617 47 61 ARG HD2 H 3.278 0.020 2 618 47 61 ARG HD3 H 3.277 0.020 2 619 47 61 ARG C C 175.398 0.200 1 620 47 61 ARG CA C 56.061 0.200 1 621 47 61 ARG CB C 31.618 0.200 1 622 47 61 ARG CG C 27.456 0.200 1 623 47 61 ARG CD C 43.480 0.200 1 624 47 61 ARG N N 116.125 0.200 1 625 48 62 LEU H H 8.966 0.020 1 626 48 62 LEU HA H 4.694 0.020 1 627 48 62 LEU HB2 H 2.277 0.020 2 628 48 62 LEU HB3 H 1.286 0.020 2 629 48 62 LEU HG H 1.698 0.020 1 630 48 62 LEU HD1 H 0.905 0.020 2 631 48 62 LEU HD2 H 0.392 0.020 2 632 48 62 LEU C C 176.491 0.200 1 633 48 62 LEU CA C 56.051 0.200 1 634 48 62 LEU CB C 43.263 0.200 1 635 48 62 LEU CG C 26.488 0.200 1 636 48 62 LEU CD1 C 27.503 0.200 2 637 48 62 LEU CD2 C 24.411 0.200 2 638 48 62 LEU N N 117.031 0.200 1 639 49 63 ILE H H 8.214 0.020 1 640 49 63 ILE HA H 4.694 0.020 1 641 49 63 ILE HB H 1.541 0.020 1 642 49 63 ILE HG12 H 1.289 0.020 1 643 49 63 ILE HG13 H 0.718 0.020 1 644 49 63 ILE HG2 H 0.758 0.020 1 645 49 63 ILE HD1 H 0.715 0.020 1 646 49 63 ILE C C 176.092 0.200 1 647 49 63 ILE CA C 59.214 0.200 1 648 49 63 ILE CB C 41.469 0.200 1 649 49 63 ILE CG1 C 27.094 0.200 1 650 49 63 ILE CG2 C 17.160 0.200 1 651 49 63 ILE CD1 C 14.405 0.200 1 652 49 63 ILE N N 118.516 0.200 1 653 50 64 GLU H H 9.208 0.020 1 654 50 64 GLU HA H 4.498 0.020 1 655 50 64 GLU HB2 H 1.842 0.020 2 656 50 64 GLU HB3 H 1.928 0.020 2 657 50 64 GLU HG2 H 2.212 0.020 2 658 50 64 GLU HG3 H 2.044 0.020 2 659 50 64 GLU C C 175.116 0.200 1 660 50 64 GLU CA C 56.169 0.200 1 661 50 64 GLU CB C 34.051 0.200 1 662 50 64 GLU CG C 36.157 0.200 1 663 50 64 GLU N N 127.173 0.200 1 664 51 65 ASP H H 9.539 0.020 1 665 51 65 ASP HA H 4.294 0.020 1 666 51 65 ASP HB2 H 2.985 0.020 2 667 51 65 ASP HB3 H 2.579 0.020 2 668 51 65 ASP C C 175.986 0.200 1 669 51 65 ASP CA C 55.480 0.200 1 670 51 65 ASP CB C 39.612 0.200 1 671 51 65 ASP N N 129.393 0.200 1 672 52 66 GLY H H 8.255 0.020 1 673 52 66 GLY HA2 H 4.063 0.020 2 674 52 66 GLY HA3 H 3.469 0.020 2 675 52 66 GLY C C 172.377 0.200 1 676 52 66 GLY CA C 45.800 0.200 1 677 52 66 GLY N N 102.951 0.200 1 678 53 67 GLU H H 7.542 0.020 1 679 53 67 GLU HA H 4.791 0.020 1 680 53 67 GLU HB2 H 1.734 0.020 2 681 53 67 GLU HB3 H 2.190 0.020 2 682 53 67 GLU HG2 H 2.417 0.020 2 683 53 67 GLU HG3 H 2.241 0.020 2 684 53 67 GLU C C 174.634 0.200 1 685 53 67 GLU CA C 53.522 0.200 1 686 53 67 GLU CB C 33.433 0.200 1 687 53 67 GLU CG C 35.649 0.200 1 688 53 67 GLU N N 119.826 0.200 1 689 54 68 VAL H H 8.828 0.020 1 690 54 68 VAL HA H 3.827 0.020 1 691 54 68 VAL HB H 1.842 0.020 1 692 54 68 VAL HG1 H 1.052 0.020 2 693 54 68 VAL HG2 H 0.851 0.020 2 694 54 68 VAL C C 177.173 0.200 1 695 54 68 VAL CA C 64.435 0.200 1 696 54 68 VAL CB C 31.344 0.200 1 697 54 68 VAL CG1 C 21.873 0.200 2 698 54 68 VAL CG2 C 21.801 0.200 2 699 54 68 VAL N N 122.950 0.200 1 700 55 69 LYS H H 8.510 0.020 1 701 55 69 LYS HA H 4.108 0.020 1 702 55 69 LYS HB2 H 1.741 0.020 2 703 55 69 LYS HB3 H 1.113 0.020 2 704 55 69 LYS HG2 H 1.513 0.020 2 705 55 69 LYS HG3 H 1.480 0.020 2 706 55 69 LYS HD2 H 1.611 0.020 2 707 55 69 LYS HD3 H 1.471 0.020 2 708 55 69 LYS HE2 H 3.108 0.020 2 709 55 69 LYS HE3 H 3.109 0.020 2 710 55 69 LYS C C 173.830 0.200 1 711 55 69 LYS CA C 55.180 0.200 1 712 55 69 LYS CB C 33.343 0.200 1 713 55 69 LYS CG C 24.710 0.200 1 714 55 69 LYS CD C 30.043 0.200 1 715 55 69 LYS CE C 42.230 0.200 1 716 55 69 LYS N N 101.377 0.200 1 717 56 70 PRO HA H 4.061 0.020 1 718 56 70 PRO HB2 H 1.933 0.020 2 719 56 70 PRO HB3 H 1.580 0.020 2 720 56 70 PRO HG2 H 2.055 0.020 2 721 56 70 PRO HG3 H 1.910 0.020 2 722 56 70 PRO HD2 H 3.493 0.020 2 723 56 70 PRO HD3 H 3.963 0.020 2 724 56 70 PRO C C 176.656 0.200 1 725 56 70 PRO CA C 64.652 0.200 1 726 56 70 PRO CB C 31.622 0.200 1 727 56 70 PRO CG C 27.891 0.200 1 728 56 70 PRO CD C 51.094 0.200 1 729 57 71 HIS H H 8.291 0.020 1 730 57 71 HIS HA H 4.136 0.020 1 731 57 71 HIS HB2 H 3.337 0.020 2 732 57 71 HIS HB3 H 3.672 0.020 2 733 57 71 HIS HD2 H 6.998 0.020 1 734 57 71 HIS HE1 H 8.065 0.020 1 735 57 71 HIS C C 174.364 0.200 1 736 57 71 HIS CA C 58.321 0.200 1 737 57 71 HIS CB C 27.884 0.200 1 738 57 71 HIS CD2 C 119.743 0.200 1 739 57 71 HIS CE1 C 137.866 0.200 1 740 57 71 HIS N N 113.983 0.200 1 741 58 72 VAL H H 7.827 0.020 1 742 58 72 VAL HA H 4.132 0.020 1 743 58 72 VAL HB H 2.467 0.020 1 744 58 72 VAL HG1 H 1.289 0.020 2 745 58 72 VAL HG2 H 1.126 0.020 2 746 58 72 VAL C C 175.351 0.200 1 747 58 72 VAL CA C 63.383 0.200 1 748 58 72 VAL CB C 31.882 0.200 1 749 58 72 VAL CG1 C 23.903 0.200 2 750 58 72 VAL CG2 C 21.156 0.200 2 751 58 72 VAL N N 122.302 0.200 1 752 59 73 ASN H H 8.456 0.020 1 753 59 73 ASN HA H 5.190 0.020 1 754 59 73 ASN HB2 H 2.478 0.020 2 755 59 73 ASN HB3 H 2.521 0.020 2 756 59 73 ASN HD21 H 6.676 0.020 2 757 59 73 ASN HD22 H 6.933 0.020 2 758 59 73 ASN C C 173.588 0.200 1 759 59 73 ASN CA C 51.879 0.200 1 760 59 73 ASN CB C 40.784 0.200 1 761 59 73 ASN N N 126.310 0.200 1 762 59 73 ASN ND2 N 110.177 0.200 1 763 60 74 VAL H H 8.116 0.020 1 764 60 74 VAL HA H 5.247 0.020 1 765 60 74 VAL HB H 1.986 0.020 1 766 60 74 VAL HG1 H 1.027 0.020 2 767 60 74 VAL HG2 H 0.822 0.020 2 768 60 74 VAL C C 174.893 0.200 1 769 60 74 VAL CA C 60.701 0.200 1 770 60 74 VAL CB C 33.570 0.200 1 771 60 74 VAL CG1 C 22.425 0.200 2 772 60 74 VAL CG2 C 21.583 0.200 2 773 60 74 VAL N N 124.311 0.200 1 774 61 75 LEU H H 9.312 0.020 1 775 61 75 LEU HA H 5.247 0.020 1 776 61 75 LEU HB2 H 1.799 0.020 2 777 61 75 LEU HB3 H 1.093 0.020 2 778 61 75 LEU HG H 1.502 0.020 1 779 61 75 LEU HD1 H 0.822 0.020 2 780 61 75 LEU HD2 H 0.673 0.020 2 781 61 75 LEU C C 175.868 0.200 1 782 61 75 LEU CA C 52.906 0.200 1 783 61 75 LEU CB C 44.458 0.200 1 784 61 75 LEU CG C 28.011 0.200 1 785 61 75 LEU CD1 C 25.789 0.200 2 786 61 75 LEU CD2 C 23.976 0.200 2 787 61 75 LEU N N 126.125 0.200 1 788 62 76 LYS H H 9.120 0.020 1 789 62 76 LYS HA H 4.877 0.020 1 790 62 76 LYS HB2 H 1.729 0.020 2 791 62 76 LYS HB3 H 1.275 0.020 2 792 62 76 LYS HG2 H 1.155 0.020 2 793 62 76 LYS HG3 H 0.961 0.020 2 794 62 76 LYS HD2 H 1.501 0.020 2 795 62 76 LYS HD3 H 1.756 0.020 2 796 62 76 LYS HE2 H 3.199 0.020 2 797 62 76 LYS HE3 H 2.839 0.020 2 798 62 76 LYS C C 176.139 0.200 1 799 62 76 LYS CA C 54.719 0.200 1 800 62 76 LYS CB C 34.653 0.200 1 801 62 76 LYS CG C 26.151 0.200 1 802 62 76 LYS CD C 30.356 0.200 1 803 62 76 LYS CE C 42.320 0.200 1 804 62 76 LYS N N 121.151 0.200 1 805 63 77 ASN H H 9.844 0.020 1 806 63 77 ASN HA H 4.494 0.020 1 807 63 77 ASN HB2 H 3.013 0.020 2 808 63 77 ASN HB3 H 3.013 0.020 2 809 63 77 ASN C C 175.492 0.200 1 810 63 77 ASN CA C 54.501 0.200 1 811 63 77 ASN CB C 37.234 0.200 1 812 63 77 ASN N N 128.748 0.200 1 813 64 78 GLY H H 8.052 0.020 1 814 64 78 GLY HA2 H 4.238 0.020 2 815 64 78 GLY HA3 H 3.597 0.020 2 816 64 78 GLY C C 173.106 0.200 1 817 64 78 GLY CA C 45.764 0.200 1 818 64 78 GLY N N 101.502 0.200 1 819 65 79 ARG H H 7.951 0.020 1 820 65 79 ARG HA H 4.689 0.020 1 821 65 79 ARG HB2 H 2.000 0.020 2 822 65 79 ARG HB3 H 1.856 0.020 2 823 65 79 ARG HG2 H 1.785 0.020 2 824 65 79 ARG HG3 H 1.708 0.020 2 825 65 79 ARG HD2 H 3.339 0.020 2 826 65 79 ARG HD3 H 3.242 0.020 2 827 65 79 ARG C C 175.328 0.200 1 828 65 79 ARG CA C 54.211 0.200 1 829 65 79 ARG CB C 32.167 0.200 1 830 65 79 ARG CG C 26.742 0.200 1 831 65 79 ARG CD C 43.335 0.200 1 832 65 79 ARG N N 121.729 0.200 1 833 66 80 GLU H H 9.505 0.020 1 834 66 80 GLU HA H 4.409 0.020 1 835 66 80 GLU HB2 H 2.147 0.020 2 836 66 80 GLU HB3 H 2.001 0.020 2 837 66 80 GLU HG2 H 2.391 0.020 2 838 66 80 GLU HG3 H 2.395 0.020 2 839 66 80 GLU C C 179.312 0.200 1 840 66 80 GLU CA C 57.945 0.200 1 841 66 80 GLU CB C 29.977 0.200 1 842 66 80 GLU CG C 36.810 0.200 1 843 66 80 GLU N N 127.198 0.200 1 844 67 81 VAL H H 8.523 0.020 1 845 67 81 VAL HA H 4.095 0.020 1 846 67 81 VAL HB H 2.474 0.020 1 847 67 81 VAL HG1 H 1.092 0.020 2 848 67 81 VAL HG2 H 0.973 0.020 2 849 67 81 VAL C C 179.019 0.200 1 850 67 81 VAL CA C 65.160 0.200 1 851 67 81 VAL CB C 31.047 0.200 1 852 67 81 VAL CG1 C 22.679 0.200 2 853 67 81 VAL CG2 C 18.755 0.200 2 854 67 81 VAL N N 117.696 0.200 1 855 68 82 VAL H H 7.958 0.020 1 856 68 82 VAL HA H 4.014 0.020 1 857 68 82 VAL HB H 2.119 0.020 1 858 68 82 VAL HG1 H 0.769 0.020 2 859 68 82 VAL HG2 H 0.582 0.020 2 860 68 82 VAL C C 176.104 0.200 1 861 68 82 VAL CA C 64.067 0.200 1 862 68 82 VAL CB C 30.867 0.200 1 863 68 82 VAL CG1 C 20.394 0.200 2 864 68 82 VAL CG2 C 19.625 0.200 2 865 68 82 VAL N N 121.124 0.200 1 866 69 83 HIS H H 7.347 0.020 1 867 69 83 HIS HA H 4.897 0.020 1 868 69 83 HIS HB2 H 3.482 0.020 2 869 69 83 HIS HB3 H 3.041 0.020 2 870 69 83 HIS HD2 H 7.113 0.020 1 871 69 83 HIS HE1 H 7.867 0.020 1 872 69 83 HIS C C 175.034 0.200 1 873 69 83 HIS CA C 55.734 0.200 1 874 69 83 HIS CB C 30.639 0.200 1 875 69 83 HIS CD2 C 118.923 0.200 1 876 69 83 HIS CE1 C 138.700 0.200 1 877 69 83 HIS N N 117.992 0.200 1 878 70 84 LEU H H 7.475 0.020 1 879 70 84 LEU HA H 4.742 0.020 1 880 70 84 LEU HB2 H 1.753 0.020 2 881 70 84 LEU HB3 H 1.996 0.020 2 882 70 84 LEU HG H 1.033 0.020 1 883 70 84 LEU HD1 H 0.962 0.020 2 884 70 84 LEU HD2 H 0.958 0.020 2 885 70 84 LEU C C 175.116 0.200 1 886 70 84 LEU CA C 53.631 0.200 1 887 70 84 LEU CB C 39.893 0.200 1 888 70 84 LEU CG C 27.250 0.200 1 889 70 84 LEU CD1 C 22.432 0.200 2 890 70 84 LEU CD2 C 22.425 0.200 2 891 70 84 LEU N N 123.360 0.200 1 892 71 85 ASP H H 7.776 0.020 1 893 71 85 ASP HA H 5.231 0.020 1 894 71 85 ASP HB2 H 2.869 0.020 2 895 71 85 ASP HB3 H 2.104 0.020 2 896 71 85 ASP C C 176.809 0.200 1 897 71 85 ASP CA C 53.051 0.200 1 898 71 85 ASP CB C 42.738 0.200 1 899 71 85 ASP N N 120.898 0.200 1 900 72 86 GLY H H 8.044 0.020 1 901 72 86 GLY HA2 H 4.116 0.020 2 902 72 86 GLY HA3 H 3.390 0.020 2 903 72 86 GLY C C 178.008 0.200 1 904 72 86 GLY CA C 46.547 0.200 1 905 72 86 GLY N N 107.726 0.200 1 906 73 87 MET H H 9.771 0.020 1 907 73 87 MET HA H 3.943 0.020 1 908 73 87 MET HB2 H 2.248 0.020 2 909 73 87 MET HB3 H 2.009 0.020 2 910 73 87 MET HG2 H 3.041 0.020 2 911 73 87 MET HG3 H 2.634 0.020 2 912 73 87 MET HE H 1.831 0.020 1 913 73 87 MET C C 176.538 0.200 1 914 73 87 MET CA C 57.148 0.200 1 915 73 87 MET CB C 33.100 0.200 1 916 73 87 MET CG C 32.242 0.200 1 917 73 87 MET CE C 17.855 0.200 1 918 73 87 MET N N 126.964 0.200 1 919 74 88 ALA H H 7.615 0.020 1 920 74 88 ALA HA H 4.433 0.020 1 921 74 88 ALA HB H 1.541 0.020 1 922 74 88 ALA C C 176.198 0.200 1 923 74 88 ALA CA C 51.906 0.200 1 924 74 88 ALA CB C 18.429 0.200 1 925 74 88 ALA N N 118.820 0.200 1 926 75 89 THR H H 7.232 0.020 1 927 75 89 THR HA H 3.924 0.020 1 928 75 89 THR HB H 3.951 0.020 1 929 75 89 THR HG2 H 1.472 0.020 1 930 75 89 THR C C 172.789 0.200 1 931 75 89 THR CA C 65.591 0.200 1 932 75 89 THR CB C 69.653 0.200 1 933 75 89 THR CG2 C 22.453 0.200 1 934 75 89 THR N N 116.102 0.200 1 935 76 90 ALA H H 8.659 0.020 1 936 76 90 ALA HA H 4.230 0.020 1 937 76 90 ALA HB H 1.462 0.020 1 938 76 90 ALA C C 176.221 0.200 1 939 76 90 ALA CA C 52.133 0.200 1 940 76 90 ALA CB C 19.946 0.200 1 941 76 90 ALA N N 100.620 0.200 1 942 77 91 LEU H H 7.929 0.020 1 943 77 91 LEU HA H 4.624 0.020 1 944 77 91 LEU HB2 H 1.587 0.020 2 945 77 91 LEU HB3 H 1.332 0.020 2 946 77 91 LEU HG H 1.508 0.020 1 947 77 91 LEU HD1 H 0.801 0.020 2 948 77 91 LEU HD2 H 0.639 0.020 2 949 77 91 LEU C C 173.435 0.200 1 950 77 91 LEU CA C 53.403 0.200 1 951 77 91 LEU CB C 46.685 0.200 1 952 77 91 LEU CG C 26.996 0.200 1 953 77 91 LEU CD1 C 23.695 0.200 2 954 77 91 LEU CD2 C 26.742 0.200 2 955 77 91 LEU N N 120.277 0.200 1 956 78 92 ASP H H 8.944 0.020 1 957 78 92 ASP HA H 5.043 0.020 1 958 78 92 ASP HB2 H 2.623 0.020 2 959 78 92 ASP HB3 H 2.356 0.020 2 960 78 92 ASP C C 174.634 0.200 1 961 78 92 ASP CA C 52.979 0.200 1 962 78 92 ASP CB C 45.522 0.200 1 963 78 92 ASP N N 120.357 0.200 1 964 79 93 ASP H H 8.285 0.020 1 965 79 93 ASP HA H 4.323 0.020 1 966 79 93 ASP HB2 H 2.625 0.020 2 967 79 93 ASP HB3 H 2.761 0.020 2 968 79 93 ASP C C 177.655 0.200 1 969 79 93 ASP CA C 56.459 0.200 1 970 79 93 ASP CB C 42.309 0.200 1 971 79 93 ASP N N 116.839 0.200 1 972 80 94 GLY H H 9.336 0.020 1 973 80 94 GLY HA2 H 4.374 0.020 2 974 80 94 GLY HA3 H 3.811 0.020 2 975 80 94 GLY C C 174.893 0.200 1 976 80 94 GLY CA C 45.111 0.200 1 977 80 94 GLY N N 115.504 0.200 1 978 81 95 ASP H H 8.211 0.020 1 979 81 95 ASP HA H 4.840 0.020 1 980 81 95 ASP HB2 H 2.977 0.020 2 981 81 95 ASP HB3 H 2.269 0.020 2 982 81 95 ASP C C 174.082 0.200 1 983 81 95 ASP CA C 55.734 0.200 1 984 81 95 ASP CB C 42.288 0.200 1 985 81 95 ASP N N 122.009 0.200 1 986 82 96 ALA H H 8.381 0.020 1 987 82 96 ALA HA H 5.756 0.020 1 988 82 96 ALA HB H 1.239 0.020 1 989 82 96 ALA C C 177.890 0.200 1 990 82 96 ALA CA C 49.353 0.200 1 991 82 96 ALA CB C 20.604 0.200 1 992 82 96 ALA N N 119.417 0.200 1 993 83 97 VAL H H 9.275 0.020 1 994 83 97 VAL HA H 5.182 0.020 1 995 83 97 VAL HB H 1.892 0.020 1 996 83 97 VAL HG1 H 0.808 0.020 2 997 83 97 VAL HG2 H 0.668 0.020 2 998 83 97 VAL C C 174.987 0.200 1 999 83 97 VAL CA C 60.084 0.200 1 1000 83 97 VAL CB C 33.574 0.200 1 1001 83 97 VAL CG1 C 22.171 0.200 2 1002 83 97 VAL CG2 C 20.394 0.200 2 1003 83 97 VAL N N 127.546 0.200 1 1004 84 98 SER H H 8.877 0.020 1 1005 84 98 SER HA H 5.373 0.020 1 1006 84 98 SER HB2 H 3.804 0.020 2 1007 84 98 SER HB3 H 3.740 0.020 2 1008 84 98 SER C C 173.165 0.200 1 1009 84 98 SER CA C 56.967 0.200 1 1010 84 98 SER CB C 65.083 0.200 1 1011 84 98 SER N N 121.871 0.200 1 1012 85 99 VAL H H 8.711 0.020 1 1013 85 99 VAL HA H 4.844 0.020 1 1014 85 99 VAL HB H 2.079 0.020 1 1015 85 99 VAL HG1 H 0.916 0.020 2 1016 85 99 VAL HG2 H 0.611 0.020 2 1017 85 99 VAL C C 173.953 0.200 1 1018 85 99 VAL CA C 61.897 0.200 1 1019 85 99 VAL CB C 33.433 0.200 1 1020 85 99 VAL CG1 C 22.816 0.200 2 1021 85 99 VAL CG2 C 20.133 0.200 2 1022 85 99 VAL N N 122.351 0.200 1 1023 86 100 PHE H H 9.174 0.020 1 1024 86 100 PHE HA H 5.227 0.020 1 1025 86 100 PHE HB2 H 3.131 0.020 2 1026 86 100 PHE HB3 H 3.128 0.020 2 1027 86 100 PHE HD1 H 7.057 0.020 3 1028 86 100 PHE HD2 H 7.057 0.020 3 1029 86 100 PHE HE1 H 6.612 0.020 3 1030 86 100 PHE HE2 H 6.612 0.020 3 1031 86 100 PHE HZ H 6.460 0.020 1 1032 86 100 PHE C C 173.500 0.200 1 1033 86 100 PHE CA C 54.164 0.200 1 1034 86 100 PHE CB C 40.707 0.200 1 1035 86 100 PHE CD1 C 131.429 0.200 3 1036 86 100 PHE CD2 C 131.429 0.200 3 1037 86 100 PHE CE1 C 130.888 0.200 3 1038 86 100 PHE CE2 C 130.888 0.200 3 1039 86 100 PHE CZ C 129.083 0.200 1 1040 86 100 PHE N N 124.445 0.200 1 1041 87 101 PRO HA H 4.424 0.020 1 1042 87 101 PRO HB2 H 0.446 0.020 2 1043 87 101 PRO HB3 H 1.646 0.020 2 1044 87 101 PRO HG2 H 1.914 0.020 2 1045 87 101 PRO HG3 H 1.465 0.020 2 1046 87 101 PRO HD2 H 3.602 0.020 2 1047 87 101 PRO HD3 H 3.783 0.020 2 1048 87 101 PRO CA C 61.528 0.200 1 1049 87 101 PRO CB C 29.027 0.200 1 1050 87 101 PRO CG C 26.742 0.200 1 1051 87 101 PRO CD C 50.356 0.200 1 1052 88 102 PRO HA H 4.533 0.020 1 1053 88 102 PRO HB2 H 2.270 0.020 2 1054 88 102 PRO HB3 H 1.777 0.020 2 1055 88 102 PRO HG2 H 1.903 0.020 2 1056 88 102 PRO HG3 H 2.073 0.020 2 1057 88 102 PRO HD2 H 3.662 0.020 2 1058 88 102 PRO HD3 H 3.432 0.020 2 1059 88 102 PRO C C 177.397 0.200 1 1060 88 102 PRO CA C 62.767 0.200 1 1061 88 102 PRO CB C 32.024 0.200 1 1062 88 102 PRO CG C 27.819 0.200 1 1063 88 102 PRO CD C 50.513 0.200 1 1064 89 103 VAL H H 8.331 0.020 1 1065 89 103 VAL HA H 4.002 0.020 1 1066 89 103 VAL HB H 2.050 0.020 1 1067 89 103 VAL HG1 H 0.944 0.020 2 1068 89 103 VAL HG2 H 0.966 0.020 2 1069 89 103 VAL C C 176.198 0.200 1 1070 89 103 VAL CA C 62.544 0.200 1 1071 89 103 VAL CB C 32.544 0.200 1 1072 89 103 VAL CG1 C 20.786 0.200 2 1073 89 103 VAL CG2 C 20.423 0.200 2 1074 89 103 VAL N N 122.083 0.200 1 1075 90 104 ALA H H 8.332 0.020 1 1076 90 104 ALA HA H 4.331 0.020 1 1077 90 104 ALA HB H 1.365 0.020 1 1078 90 104 ALA C C 177.878 0.200 1 1079 90 104 ALA CA C 52.508 0.200 1 1080 90 104 ALA CB C 19.263 0.200 1 1081 90 104 ALA N N 127.234 0.200 1 1082 91 105 GLY H H 8.267 0.020 1 1083 91 105 GLY HA2 H 3.876 0.020 2 1084 91 105 GLY HA3 H 3.885 0.020 2 1085 91 105 GLY C C 173.694 0.200 1 1086 91 105 GLY CA C 45.220 0.200 1 1087 91 105 GLY N N 109.104 0.200 1 1088 92 106 GLY H H 7.887 0.020 1 1089 92 106 GLY HA2 H 3.754 0.020 2 1090 92 106 GLY HA3 H 3.715 0.020 2 1091 92 106 GLY C C 179.107 0.200 1 1092 92 106 GLY CA C 45.785 0.200 1 1093 92 106 GLY N N 115.054 0.200 1 stop_ save_