data_16570 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of YbbR family protein Dhaf_0833 (residues 32-118) from Desulfitobacterium hafniense DCB-2: Northeast Structural Genomics Consortium target DhR29B ; _BMRB_accession_number 16570 _BMRB_flat_file_name bmr16570.str _Entry_type original _Submission_date 2009-10-20 _Accession_date 2009-10-20 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'structure of fragment 32-118 of the full length protein (437 residues)' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cort John R. . 2 Ramelot Theresa A. . 3 Yang Yunhuang . . 4 Belote Rachel L. . 5 Ciccosanti Colleen . . 6 Haleema Janjua . . 7 Acton Thomas B. . 8 Xiao Rong . . 9 Everett John K. . 10 Montelione Gaetano T. . 11 Kennedy Michael A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 538 "13C chemical shifts" 409 "15N chemical shifts" 94 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-01-24 original author . stop_ _Original_release_date 2012-01-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structures of domains I and IV from YbbR are representative of a widely distributed protein family' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21154411 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Barb Adam W. . 2 Cort John R. . 3 Seetharaman Jayaraman . . 4 Lew Scott . . 5 Lee Hsiau-Wei . . 6 Acton Thomas . . 7 Xiao Rong . . 8 Kennedy Michael A. . 9 Tong Liang . . 10 Montelione Gaetano T. . 11 Prestegard James H. . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 20 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 396 _Page_last 405 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'YbbR family protein Dhaf_0833' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Dhaf_0833 $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Dhaf_0833 _Molecular_mass 10782 _Mol_thiol_state 'not present' loop_ _Biological_function 'unknown function' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 96 _Mol_residue_sequence ; SSQTLDRDPTLTLSLIAKNT PANSMIMTKLPSVRVKTEGY NPSINVNELFAYVDLSGSEP GEHDYEVKVEPIPNIKIVEI SPRVVTLQLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 SER 2 SER 3 GLN 4 THR 5 LEU 6 ASP 7 ARG 8 ASP 9 PRO 10 THR 11 LEU 12 THR 13 LEU 14 SER 15 LEU 16 ILE 17 ALA 18 LYS 19 ASN 20 THR 21 PRO 22 ALA 23 ASN 24 SER 25 MET 26 ILE 27 MET 28 THR 29 LYS 30 LEU 31 PRO 32 SER 33 VAL 34 ARG 35 VAL 36 LYS 37 THR 38 GLU 39 GLY 40 TYR 41 ASN 42 PRO 43 SER 44 ILE 45 ASN 46 VAL 47 ASN 48 GLU 49 LEU 50 PHE 51 ALA 52 TYR 53 VAL 54 ASP 55 LEU 56 SER 57 GLY 58 SER 59 GLU 60 PRO 61 GLY 62 GLU 63 HIS 64 ASP 65 TYR 66 GLU 67 VAL 68 LYS 69 VAL 70 GLU 71 PRO 72 ILE 73 PRO 74 ASN 75 ILE 76 LYS 77 ILE 78 VAL 79 GLU 80 ILE 81 SER 82 PRO 83 ARG 84 VAL 85 VAL 86 THR 87 LEU 88 GLN 89 LEU 90 GLU 91 HIS 92 HIS 93 HIS 94 HIS 95 HIS 96 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-26 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 2KPU "Nmr Structure Of Ybbr Family Protein Dhaf_0833 (Residues 32-118) From Desulfitobacterium Hafniense Dcb-2: Northeast Structural " 100.00 96 100.00 100.00 1.36e-61 PDB 2L5N "Nmr Structure Of Ybbr Family Protein Dhaf_0833 (Residues 32-118) From Desulfitobacterium Hafniense Dcb-2: Northeast Structural " 100.00 96 100.00 100.00 1.36e-61 PDB 3LYW "Crystal Structure Of Ybbr Family Protein Dhaf_0833 From Desulfitobacterium Hafniense Dcb-2. Northeast Structural Genomics Conso" 93.75 90 97.78 97.78 6.34e-55 GB ACL18896 "YbbR family protein [Desulfitobacterium hafniense DCB-2]" 92.71 437 98.88 100.00 9.63e-52 REF WP_015943054 "hypothetical protein [Desulfitobacterium hafniense]" 92.71 437 98.88 100.00 9.63e-52 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 $entity 'Desulfitobacterium hafniense' 49338 Eubacteria . Desulfitobacterium hafniense DCB-2 'Dhaf_0833 (32-118)' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli . pET21-23C 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 $entity 0.8 mM '[U-100% 13C; U-100% 15N]' 'ammonium acetate' 20 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' 'calcium chloride' 10 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.8 mM '[U-100% 13C; U-100% 15N]' 'ammonium acetate' 20 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' 'calcium chloride' 10 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.8 mM '[5% 13C from 5% U-13C glucose in growth medium; U-100% 15N]' 'ammonium acetate' 20 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' 'calcium chloride' 10 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AutoStructure _Saveframe_category software _Name AutoStruct _Version . loop_ _Vendor _Address _Electronic_address 'Huang, Tejero, Powers and Montelione' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_Felix _Saveframe_category software _Name FELIX _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _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_3 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_4D_1H-13C-13C-1H_HMQC-NOESY-HMQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 1H-13C-13C-1H HMQC-NOESY-HMQC' _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' 0.23 . M pH 4.5 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRPipe $Felix $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCACB' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '4D 1H-13C-13C-1H HMQC-NOESY-HMQC' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Dhaf_0833 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 SER HA H 4.21 0.02 1 2 1 1 SER HB2 H 4.00 0.02 2 3 1 1 SER HB3 H 4.03 0.02 2 4 1 1 SER C C 171.1 0.2 1 5 1 1 SER CA C 57.3 0.2 1 6 1 1 SER CB C 63.1 0.2 1 7 2 2 SER H H 8.82 0.02 1 8 2 2 SER HA H 4.53 0.02 1 9 2 2 SER HB2 H 3.85 0.02 2 10 2 2 SER HB3 H 3.88 0.02 2 11 2 2 SER C C 174.4 0.2 1 12 2 2 SER CA C 58.6 0.2 1 13 2 2 SER CB C 63.7 0.2 1 14 2 2 SER N N 116.8 0.2 1 15 3 3 GLN H H 8.55 0.02 1 16 3 3 GLN HA H 4.41 0.02 1 17 3 3 GLN HB2 H 1.99 0.02 2 18 3 3 GLN HB3 H 2.14 0.02 2 19 3 3 GLN HE21 H 6.86 0.02 2 20 3 3 GLN HE22 H 7.52 0.02 2 21 3 3 GLN HG2 H 2.34 0.02 2 22 3 3 GLN HG3 H 2.36 0.02 2 23 3 3 GLN C C 176.2 0.2 1 24 3 3 GLN CA C 56.2 0.2 1 25 3 3 GLN CB C 29.8 0.2 1 26 3 3 GLN CD C 180.4 0.2 1 27 3 3 GLN CG C 34.0 0.2 1 28 3 3 GLN N N 122.6 0.2 1 29 3 3 GLN NE2 N 112.5 0.2 1 30 4 4 THR H H 8.22 0.02 1 31 4 4 THR HA H 4.29 0.02 1 32 4 4 THR HB H 4.19 0.02 1 33 4 4 THR HG2 H 1.15 0.02 1 34 4 4 THR C C 174.4 0.2 1 35 4 4 THR CA C 61.9 0.2 1 36 4 4 THR CB C 69.4 0.2 1 37 4 4 THR CG2 C 21.7 0.2 1 38 4 4 THR N N 115.1 0.2 1 39 5 5 LEU H H 8.19 0.02 1 40 5 5 LEU HA H 4.33 0.02 1 41 5 5 LEU HB2 H 1.55 0.02 2 42 5 5 LEU HB3 H 1.64 0.02 2 43 5 5 LEU HD1 H 0.85 0.02 1 44 5 5 LEU HD2 H 0.81 0.02 1 45 5 5 LEU HG H 1.62 0.02 1 46 5 5 LEU C C 176.7 0.2 1 47 5 5 LEU CA C 55.3 0.2 1 48 5 5 LEU CB C 42.5 0.2 1 49 5 5 LEU CD1 C 25.1 0.2 1 50 5 5 LEU CD2 C 23.4 0.2 1 51 5 5 LEU CG C 27.0 0.2 1 52 5 5 LEU N N 123.8 0.2 1 53 6 6 ASP H H 8.16 0.02 1 54 6 6 ASP HA H 4.67 0.02 1 55 6 6 ASP HB2 H 2.62 0.02 2 56 6 6 ASP HB3 H 2.82 0.02 2 57 6 6 ASP C C 175.2 0.2 1 58 6 6 ASP CA C 53.6 0.2 1 59 6 6 ASP CB C 41.1 0.2 1 60 6 6 ASP N N 120.4 0.2 1 61 7 7 ARG H H 8.15 0.02 1 62 7 7 ARG HA H 4.44 0.02 1 63 7 7 ARG HB2 H 1.68 0.02 2 64 7 7 ARG HB3 H 1.75 0.02 2 65 7 7 ARG HD2 H 3.07 0.02 2 66 7 7 ARG HD3 H 3.10 0.02 2 67 7 7 ARG HE H 7.18 0.02 1 68 7 7 ARG HG2 H 1.43 0.02 2 69 7 7 ARG HG3 H 1.48 0.02 2 70 7 7 ARG C C 175.1 0.2 1 71 7 7 ARG CA C 56.2 0.2 1 72 7 7 ARG CB C 31.0 0.2 1 73 7 7 ARG CD C 43.0 0.2 1 74 7 7 ARG CG C 27.7 0.2 1 75 7 7 ARG CZ C 159.3 0.2 1 76 7 7 ARG N N 119.4 0.2 1 77 7 7 ARG NE N 83.9 0.2 1 78 8 8 ASP H H 9.29 0.02 1 79 8 8 ASP HA H 4.32 0.02 1 80 8 8 ASP HB2 H 2.91 0.02 2 81 8 8 ASP HB3 H 3.06 0.02 2 82 8 8 ASP CA C 53.7 0.2 1 83 8 8 ASP CB C 39.4 0.2 1 84 8 8 ASP N N 121.0 0.2 1 85 9 9 PRO HA H 4.33 0.02 1 86 9 9 PRO HB2 H 1.68 0.02 2 87 9 9 PRO HB3 H 2.09 0.02 2 88 9 9 PRO HD2 H 3.60 0.02 2 89 9 9 PRO HD3 H 3.70 0.02 2 90 9 9 PRO HG2 H 1.83 0.02 2 91 9 9 PRO HG3 H 1.87 0.02 2 92 9 9 PRO C C 177.4 0.2 1 93 9 9 PRO CA C 63.5 0.2 1 94 9 9 PRO CB C 32.1 0.2 1 95 9 9 PRO CD C 50.8 0.2 1 96 9 9 PRO CG C 27.0 0.2 1 97 10 10 THR H H 8.41 0.02 1 98 10 10 THR HA H 5.05 0.02 1 99 10 10 THR HB H 3.98 0.02 1 100 10 10 THR HG2 H 1.00 0.02 1 101 10 10 THR C C 174.6 0.2 1 102 10 10 THR CA C 61.8 0.2 1 103 10 10 THR CB C 69.2 0.2 1 104 10 10 THR CG2 C 21.6 0.2 1 105 10 10 THR N N 117.7 0.2 1 106 11 11 LEU H H 9.16 0.02 1 107 11 11 LEU HA H 4.63 0.02 1 108 11 11 LEU HB2 H 1.28 0.02 2 109 11 11 LEU HB3 H 1.55 0.02 2 110 11 11 LEU HD1 H 0.64 0.02 1 111 11 11 LEU HD2 H 0.69 0.02 1 112 11 11 LEU HG H 1.54 0.02 1 113 11 11 LEU C C 175.9 0.2 1 114 11 11 LEU CA C 53.3 0.2 1 115 11 11 LEU CB C 44.0 0.2 1 116 11 11 LEU CD1 C 25.5 0.2 1 117 11 11 LEU CD2 C 22.1 0.2 1 118 11 11 LEU CG C 26.8 0.2 1 119 11 11 LEU N N 128.5 0.2 1 120 12 12 THR H H 8.58 0.02 1 121 12 12 THR HA H 4.95 0.02 1 122 12 12 THR HB H 3.96 0.02 1 123 12 12 THR HG2 H 1.06 0.02 1 124 12 12 THR C C 173.7 0.2 1 125 12 12 THR CA C 62.3 0.2 1 126 12 12 THR CB C 69.2 0.2 1 127 12 12 THR CG2 C 21.1 0.2 1 128 12 12 THR N N 119.3 0.2 1 129 13 13 LEU H H 9.47 0.02 1 130 13 13 LEU HA H 4.80 0.02 1 131 13 13 LEU HB2 H 1.45 0.02 2 132 13 13 LEU HB3 H 1.50 0.02 2 133 13 13 LEU HD1 H 0.59 0.02 1 134 13 13 LEU HD2 H 0.72 0.02 1 135 13 13 LEU HG H 1.41 0.02 1 136 13 13 LEU C C 176.6 0.2 1 137 13 13 LEU CA C 52.8 0.2 1 138 13 13 LEU CB C 45.2 0.2 1 139 13 13 LEU CD1 C 26.7 0.2 1 140 13 13 LEU CD2 C 23.7 0.2 1 141 13 13 LEU CG C 27.3 0.2 1 142 13 13 LEU N N 126.9 0.2 1 143 14 14 SER H H 8.82 0.02 1 144 14 14 SER HA H 4.49 0.02 1 145 14 14 SER HB2 H 3.84 0.02 2 146 14 14 SER HB3 H 3.87 0.02 2 147 14 14 SER C C 171.5 0.2 1 148 14 14 SER CA C 58.9 0.2 1 149 14 14 SER CB C 64.0 0.2 1 150 14 14 SER N N 117.4 0.2 1 151 15 15 LEU H H 8.23 0.02 1 152 15 15 LEU HA H 4.77 0.02 1 153 15 15 LEU HB2 H 1.34 0.02 2 154 15 15 LEU HB3 H 1.83 0.02 2 155 15 15 LEU HD1 H 0.77 0.02 1 156 15 15 LEU HD2 H 0.75 0.02 1 157 15 15 LEU HG H 1.36 0.02 1 158 15 15 LEU C C 175.3 0.2 1 159 15 15 LEU CA C 53.6 0.2 1 160 15 15 LEU CB C 44.9 0.2 1 161 15 15 LEU CD1 C 24.8 0.2 1 162 15 15 LEU CD2 C 26.6 0.2 1 163 15 15 LEU CG C 27.2 0.2 1 164 15 15 LEU N N 124.9 0.2 1 165 16 16 ILE H H 8.75 0.02 1 166 16 16 ILE HA H 4.45 0.02 1 167 16 16 ILE HB H 1.79 0.02 1 168 16 16 ILE HD1 H 0.37 0.02 1 169 16 16 ILE HG12 H 1.13 0.02 2 170 16 16 ILE HG13 H 1.18 0.02 2 171 16 16 ILE HG2 H 0.67 0.02 1 172 16 16 ILE C C 174.3 0.2 1 173 16 16 ILE CA C 58.8 0.2 1 174 16 16 ILE CB C 40.7 0.2 1 175 16 16 ILE CD1 C 12.8 0.2 1 176 16 16 ILE CG1 C 26.5 0.2 1 177 16 16 ILE CG2 C 17.7 0.2 1 178 16 16 ILE N N 122.2 0.2 1 179 17 17 ALA H H 8.38 0.02 1 180 17 17 ALA HA H 4.78 0.02 1 181 17 17 ALA HB H 1.02 0.02 1 182 17 17 ALA C C 177.1 0.2 1 183 17 17 ALA CA C 50.5 0.2 1 184 17 17 ALA CB C 20.4 0.2 1 185 17 17 ALA N N 124.0 0.2 1 186 18 18 LYS H H 8.99 0.02 1 187 18 18 LYS HA H 4.53 0.02 1 188 18 18 LYS HB2 H 1.61 0.02 2 189 18 18 LYS HB3 H 1.64 0.02 2 190 18 18 LYS HD2 H 1.11 0.02 2 191 18 18 LYS HD3 H 1.28 0.02 2 192 18 18 LYS HE2 H 2.25 0.02 2 193 18 18 LYS HE3 H 2.45 0.02 2 194 18 18 LYS HG2 H 1.18 0.02 2 195 18 18 LYS HG3 H 1.20 0.02 2 196 18 18 LYS C C 175.3 0.2 1 197 18 18 LYS CA C 54.6 0.2 1 198 18 18 LYS CB C 35.6 0.2 1 199 18 18 LYS CD C 29.3 0.2 1 200 18 18 LYS CE C 41.3 0.2 1 201 18 18 LYS CG C 25.1 0.2 1 202 18 18 LYS N N 122.8 0.2 1 203 19 19 ASN H H 9.05 0.02 1 204 19 19 ASN HA H 4.17 0.02 1 205 19 19 ASN HB2 H 2.75 0.02 2 206 19 19 ASN HB3 H 3.13 0.02 2 207 19 19 ASN HD21 H 6.98 0.02 2 208 19 19 ASN HD22 H 7.85 0.02 2 209 19 19 ASN C C 174.4 0.2 1 210 19 19 ASN CA C 54.1 0.2 1 211 19 19 ASN CB C 36.6 0.2 1 212 19 19 ASN CG C 178.3 0.2 1 213 19 19 ASN N N 115.3 0.2 1 214 19 19 ASN ND2 N 116.7 0.2 1 215 20 20 THR H H 7.96 0.02 1 216 20 20 THR HA H 3.84 0.02 1 217 20 20 THR HB H 3.79 0.02 1 218 20 20 THR HG2 H 1.05 0.02 1 219 20 20 THR CA C 62.8 0.2 1 220 20 20 THR CB C 68.9 0.2 1 221 20 20 THR CG2 C 21.2 0.2 1 222 20 20 THR N N 116.3 0.2 1 223 21 21 PRO HA H 4.29 0.02 1 224 21 21 PRO HB2 H 1.80 0.02 2 225 21 21 PRO HB3 H 2.40 0.02 2 226 21 21 PRO HD2 H 3.24 0.02 2 227 21 21 PRO HD3 H 4.09 0.02 2 228 21 21 PRO HG2 H 1.97 0.02 2 229 21 21 PRO HG3 H 2.13 0.02 2 230 21 21 PRO C C 176.6 0.2 1 231 21 21 PRO CA C 63.1 0.2 1 232 21 21 PRO CB C 32.3 0.2 1 233 21 21 PRO CD C 51.3 0.2 1 234 21 21 PRO CG C 27.9 0.2 1 235 22 22 ALA H H 8.50 0.02 1 236 22 22 ALA HA H 4.10 0.02 1 237 22 22 ALA HB H 1.36 0.02 1 238 22 22 ALA C C 178.7 0.2 1 239 22 22 ALA CA C 53.7 0.2 1 240 22 22 ALA CB C 18.7 0.2 1 241 22 22 ALA N N 124.6 0.2 1 242 23 23 ASN H H 8.71 0.02 1 243 23 23 ASN HA H 4.49 0.02 1 244 23 23 ASN HB2 H 2.82 0.02 2 245 23 23 ASN HB3 H 2.89 0.02 2 246 23 23 ASN HD21 H 6.94 0.02 2 247 23 23 ASN HD22 H 7.59 0.02 2 248 23 23 ASN C C 174.8 0.2 1 249 23 23 ASN CA C 53.8 0.2 1 250 23 23 ASN CB C 37.8 0.2 1 251 23 23 ASN CG C 178.0 0.2 1 252 23 23 ASN N N 114.3 0.2 1 253 23 23 ASN ND2 N 113.6 0.2 1 254 24 24 SER H H 7.78 0.02 1 255 24 24 SER HA H 5.28 0.02 1 256 24 24 SER HB2 H 3.46 0.02 2 257 24 24 SER HB3 H 3.53 0.02 2 258 24 24 SER HG H 4.78 0.02 1 259 24 24 SER C C 171.3 0.2 1 260 24 24 SER CA C 58.1 0.2 1 261 24 24 SER CB C 66.3 0.2 1 262 24 24 SER N N 113.4 0.2 1 263 25 25 MET H H 8.86 0.02 1 264 25 25 MET HA H 4.62 0.02 1 265 25 25 MET HB2 H 1.76 0.02 2 266 25 25 MET HB3 H 1.78 0.02 2 267 25 25 MET HE H 1.92 0.02 1 268 25 25 MET HG2 H 2.27 0.02 2 269 25 25 MET HG3 H 2.29 0.02 2 270 25 25 MET C C 174.2 0.2 1 271 25 25 MET CA C 54.1 0.2 1 272 25 25 MET CB C 36.3 0.2 1 273 25 25 MET CE C 17.2 0.2 1 274 25 25 MET CG C 31.2 0.2 1 275 25 25 MET N N 118.9 0.2 1 276 26 26 ILE H H 8.83 0.02 1 277 26 26 ILE HA H 4.29 0.02 1 278 26 26 ILE HB H 1.81 0.02 1 279 26 26 ILE HD1 H 0.74 0.02 1 280 26 26 ILE HG12 H 0.70 0.02 2 281 26 26 ILE HG13 H 1.50 0.02 2 282 26 26 ILE HG2 H 1.03 0.02 1 283 26 26 ILE C C 176.7 0.2 1 284 26 26 ILE CA C 61.7 0.2 1 285 26 26 ILE CB C 38.6 0.2 1 286 26 26 ILE CD1 C 14.5 0.2 1 287 26 26 ILE CG1 C 27.4 0.2 1 288 26 26 ILE CG2 C 18.7 0.2 1 289 26 26 ILE N N 124.3 0.2 1 290 27 27 MET H H 8.90 0.02 1 291 27 27 MET HA H 4.64 0.02 1 292 27 27 MET HB2 H 1.72 0.02 2 293 27 27 MET HB3 H 2.26 0.02 2 294 27 27 MET HE H 1.95 0.02 1 295 27 27 MET HG2 H 2.28 0.02 2 296 27 27 MET HG3 H 2.56 0.02 2 297 27 27 MET C C 176.3 0.2 1 298 27 27 MET CA C 54.6 0.2 1 299 27 27 MET CB C 31.4 0.2 1 300 27 27 MET CE C 15.8 0.2 1 301 27 27 MET CG C 31.8 0.2 1 302 27 27 MET N N 125.4 0.2 1 303 28 28 THR H H 6.94 0.02 1 304 28 28 THR HA H 4.25 0.02 1 305 28 28 THR HB H 3.73 0.02 1 306 28 28 THR HG2 H 1.42 0.02 1 307 28 28 THR C C 173.1 0.2 1 308 28 28 THR CA C 61.9 0.2 1 309 28 28 THR CB C 71.9 0.2 1 310 28 28 THR CG2 C 21.9 0.2 1 311 28 28 THR N N 116.2 0.2 1 312 29 29 LYS H H 8.62 0.02 1 313 29 29 LYS HA H 4.12 0.02 1 314 29 29 LYS HB2 H 1.73 0.02 2 315 29 29 LYS HB3 H 1.76 0.02 2 316 29 29 LYS HD2 H 1.63 0.02 2 317 29 29 LYS HD3 H 1.69 0.02 2 318 29 29 LYS HE2 H 2.98 0.02 2 319 29 29 LYS HE3 H 3.00 0.02 2 320 29 29 LYS HG2 H 1.32 0.02 2 321 29 29 LYS HG3 H 1.44 0.02 2 322 29 29 LYS C C 176.1 0.2 1 323 29 29 LYS CA C 56.4 0.2 1 324 29 29 LYS CB C 32.3 0.2 1 325 29 29 LYS CD C 29.0 0.2 1 326 29 29 LYS CE C 42.2 0.2 1 327 29 29 LYS CG C 24.7 0.2 1 328 29 29 LYS N N 126.3 0.2 1 329 30 30 LEU H H 8.58 0.02 1 330 30 30 LEU HA H 4.40 0.02 1 331 30 30 LEU HB2 H 1.29 0.02 2 332 30 30 LEU HB3 H 1.86 0.02 2 333 30 30 LEU HD1 H 0.84 0.02 1 334 30 30 LEU HD2 H 0.69 0.02 1 335 30 30 LEU HG H 1.75 0.02 1 336 30 30 LEU CA C 52.8 0.2 1 337 30 30 LEU CB C 40.3 0.2 1 338 30 30 LEU CD1 C 25.8 0.2 1 339 30 30 LEU CD2 C 24.0 0.2 1 340 30 30 LEU CG C 27.2 0.2 1 341 30 30 LEU N N 127.9 0.2 1 342 31 31 PRO HA H 4.60 0.02 1 343 31 31 PRO HB2 H 2.19 0.02 2 344 31 31 PRO HB3 H 2.23 0.02 2 345 31 31 PRO HD2 H 3.41 0.02 2 346 31 31 PRO HD3 H 3.91 0.02 2 347 31 31 PRO HG2 H 1.68 0.02 2 348 31 31 PRO HG3 H 2.07 0.02 2 349 31 31 PRO C C 175.4 0.2 1 350 31 31 PRO CA C 62.4 0.2 1 351 31 31 PRO CB C 32.3 0.2 1 352 31 31 PRO CD C 50.1 0.2 1 353 31 31 PRO CG C 26.4 0.2 1 354 32 32 SER H H 7.83 0.02 1 355 32 32 SER HA H 4.69 0.02 1 356 32 32 SER HB2 H 3.69 0.02 2 357 32 32 SER HB3 H 3.74 0.02 2 358 32 32 SER C C 173.7 0.2 1 359 32 32 SER CA C 58.2 0.2 1 360 32 32 SER CB C 64.3 0.2 1 361 32 32 SER N N 111.4 0.2 1 362 33 33 VAL H H 8.79 0.02 1 363 33 33 VAL HA H 4.64 0.02 1 364 33 33 VAL HB H 1.67 0.02 1 365 33 33 VAL HG1 H 0.64 0.02 1 366 33 33 VAL HG2 H 0.66 0.02 1 367 33 33 VAL C C 174.1 0.2 1 368 33 33 VAL CA C 60.4 0.2 1 369 33 33 VAL CB C 35.0 0.2 1 370 33 33 VAL CG1 C 21.7 0.2 1 371 33 33 VAL CG2 C 21.4 0.2 1 372 33 33 VAL N N 118.6 0.2 1 373 34 34 ARG H H 8.98 0.02 1 374 34 34 ARG HA H 5.18 0.02 1 375 34 34 ARG HB2 H 1.68 0.02 2 376 34 34 ARG HB3 H 1.71 0.02 2 377 34 34 ARG HD2 H 3.09 0.02 2 378 34 34 ARG HD3 H 3.11 0.02 2 379 34 34 ARG HE H 7.20 0.02 1 380 34 34 ARG HG2 H 1.44 0.02 2 381 34 34 ARG HG3 H 1.55 0.02 2 382 34 34 ARG C C 176.2 0.2 1 383 34 34 ARG CA C 54.6 0.2 1 384 34 34 ARG CB C 32.3 0.2 1 385 34 34 ARG CD C 43.3 0.2 1 386 34 34 ARG CG C 27.5 0.2 1 387 34 34 ARG CZ C 159.4 0.2 1 388 34 34 ARG N N 125.8 0.2 1 389 34 34 ARG NE N 84.5 0.2 1 390 35 35 VAL H H 9.32 0.02 1 391 35 35 VAL HA H 4.95 0.02 1 392 35 35 VAL HB H 1.93 0.02 1 393 35 35 VAL HG1 H 0.79 0.02 1 394 35 35 VAL HG2 H 0.76 0.02 1 395 35 35 VAL C C 174.8 0.2 1 396 35 35 VAL CA C 60.0 0.2 1 397 35 35 VAL CB C 34.6 0.2 1 398 35 35 VAL CG1 C 22.6 0.2 1 399 35 35 VAL CG2 C 21.5 0.2 1 400 35 35 VAL N N 125.2 0.2 1 401 36 36 LYS H H 8.75 0.02 1 402 36 36 LYS HA H 4.72 0.02 1 403 36 36 LYS HB2 H 1.60 0.02 2 404 36 36 LYS HB3 H 1.79 0.02 2 405 36 36 LYS HD2 H 1.55 0.02 2 406 36 36 LYS HD3 H 1.61 0.02 2 407 36 36 LYS HE2 H 2.86 0.02 2 408 36 36 LYS HE3 H 2.89 0.02 2 409 36 36 LYS HG2 H 1.32 0.02 2 410 36 36 LYS HG3 H 1.52 0.02 2 411 36 36 LYS C C 176.8 0.2 1 412 36 36 LYS CA C 55.9 0.2 1 413 36 36 LYS CB C 34.5 0.2 1 414 36 36 LYS CD C 29.3 0.2 1 415 36 36 LYS CE C 42.0 0.2 1 416 36 36 LYS CG C 25.2 0.2 1 417 36 36 LYS N N 126.7 0.2 1 418 37 37 THR H H 8.12 0.02 1 419 37 37 THR HA H 5.36 0.02 1 420 37 37 THR HB H 4.00 0.02 1 421 37 37 THR HG2 H 0.91 0.02 1 422 37 37 THR C C 173.5 0.2 1 423 37 37 THR CA C 60.6 0.2 1 424 37 37 THR CB C 72.3 0.2 1 425 37 37 THR CG2 C 20.9 0.2 1 426 37 37 THR N N 115.2 0.2 1 427 38 38 GLU H H 8.75 0.02 1 428 38 38 GLU HA H 4.78 0.02 1 429 38 38 GLU HB2 H 1.76 0.02 2 430 38 38 GLU HB3 H 1.91 0.02 2 431 38 38 GLU HG2 H 2.20 0.02 2 432 38 38 GLU HG3 H 2.25 0.02 2 433 38 38 GLU C C 175.9 0.2 1 434 38 38 GLU CA C 54.8 0.2 1 435 38 38 GLU CB C 33.0 0.2 1 436 38 38 GLU CG C 35.4 0.2 1 437 38 38 GLU N N 116.7 0.2 1 438 39 39 GLY H H 9.33 0.02 1 439 39 39 GLY HA2 H 3.80 0.02 2 440 39 39 GLY HA3 H 5.00 0.02 2 441 39 39 GLY C C 171.8 0.2 1 442 39 39 GLY CA C 44.1 0.2 1 443 39 39 GLY N N 113.1 0.2 1 444 40 40 TYR H H 8.03 0.02 1 445 40 40 TYR HA H 4.77 0.02 1 446 40 40 TYR HB2 H 2.76 0.02 2 447 40 40 TYR HB3 H 2.96 0.02 2 448 40 40 TYR HD1 H 6.96 0.02 3 449 40 40 TYR HE1 H 6.77 0.02 3 450 40 40 TYR C C 173.8 0.2 1 451 40 40 TYR CA C 57.2 0.2 1 452 40 40 TYR CB C 40.8 0.2 1 453 40 40 TYR CD1 C 133.0 0.2 3 454 40 40 TYR CE1 C 118.1 0.2 3 455 40 40 TYR N N 118.6 0.2 1 456 41 41 ASN H H 8.58 0.02 1 457 41 41 ASN HA H 4.57 0.02 1 458 41 41 ASN HB2 H 2.63 0.02 2 459 41 41 ASN HB3 H 2.73 0.02 2 460 41 41 ASN HD21 H 7.27 0.02 2 461 41 41 ASN HD22 H 7.73 0.02 2 462 41 41 ASN CA C 50.6 0.2 1 463 41 41 ASN CB C 38.8 0.2 1 464 41 41 ASN CG C 177.3 0.2 1 465 41 41 ASN N N 123.1 0.2 1 466 41 41 ASN ND2 N 112.1 0.2 1 467 42 42 PRO HA H 4.41 0.02 1 468 42 42 PRO HB2 H 2.04 0.02 2 469 42 42 PRO HB3 H 2.17 0.02 2 470 42 42 PRO HD2 H 2.49 0.02 2 471 42 42 PRO HD3 H 3.53 0.02 2 472 42 42 PRO HG2 H 1.81 0.02 2 473 42 42 PRO HG3 H 1.83 0.02 2 474 42 42 PRO C C 176.8 0.2 1 475 42 42 PRO CA C 63.5 0.2 1 476 42 42 PRO CB C 32.1 0.2 1 477 42 42 PRO CD C 49.9 0.2 1 478 42 42 PRO CG C 26.3 0.2 1 479 43 43 SER H H 7.96 0.02 1 480 43 43 SER HA H 4.45 0.02 1 481 43 43 SER HB2 H 3.80 0.02 2 482 43 43 SER HB3 H 3.85 0.02 2 483 43 43 SER C C 174.3 0.2 1 484 43 43 SER CA C 58.4 0.2 1 485 43 43 SER CB C 63.7 0.2 1 486 43 43 SER N N 114.4 0.2 1 487 44 44 ILE H H 7.03 0.02 1 488 44 44 ILE HA H 3.81 0.02 1 489 44 44 ILE HB H 1.69 0.02 1 490 44 44 ILE HD1 H 0.77 0.02 1 491 44 44 ILE HG12 H 1.02 0.02 2 492 44 44 ILE HG13 H 1.37 0.02 2 493 44 44 ILE HG2 H 0.71 0.02 1 494 44 44 ILE C C 174.8 0.2 1 495 44 44 ILE CA C 61.4 0.2 1 496 44 44 ILE CB C 38.8 0.2 1 497 44 44 ILE CD1 C 13.5 0.2 1 498 44 44 ILE CG1 C 27.1 0.2 1 499 44 44 ILE CG2 C 17.3 0.2 1 500 44 44 ILE N N 120.8 0.2 1 501 45 45 ASN H H 8.52 0.02 1 502 45 45 ASN HA H 4.87 0.02 1 503 45 45 ASN HB2 H 2.70 0.02 2 504 45 45 ASN HB3 H 2.94 0.02 2 505 45 45 ASN HD21 H 7.00 0.02 2 506 45 45 ASN HD22 H 7.58 0.02 2 507 45 45 ASN C C 176.6 0.2 1 508 45 45 ASN CA C 51.5 0.2 1 509 45 45 ASN CB C 38.2 0.2 1 510 45 45 ASN CG C 177.1 0.2 1 511 45 45 ASN N N 124.5 0.2 1 512 45 45 ASN ND2 N 111.8 0.2 1 513 46 46 VAL H H 8.54 0.02 1 514 46 46 VAL HA H 3.70 0.02 1 515 46 46 VAL HB H 2.22 0.02 1 516 46 46 VAL HG1 H 0.96 0.02 1 517 46 46 VAL HG2 H 0.95 0.02 1 518 46 46 VAL C C 176.5 0.2 1 519 46 46 VAL CA C 64.8 0.2 1 520 46 46 VAL CB C 31.5 0.2 1 521 46 46 VAL CG1 C 21.6 0.2 1 522 46 46 VAL CG2 C 20.3 0.2 1 523 46 46 VAL N N 121.7 0.2 1 524 47 47 ASN H H 8.16 0.02 1 525 47 47 ASN HA H 4.58 0.02 1 526 47 47 ASN HB2 H 2.82 0.02 2 527 47 47 ASN HB3 H 2.86 0.02 2 528 47 47 ASN HD21 H 7.00 0.02 2 529 47 47 ASN HD22 H 7.67 0.02 2 530 47 47 ASN C C 175.8 0.2 1 531 47 47 ASN CA C 54.8 0.2 1 532 47 47 ASN CB C 38.4 0.2 1 533 47 47 ASN CG C 176.9 0.2 1 534 47 47 ASN N N 116.6 0.2 1 535 47 47 ASN ND2 N 113.7 0.2 1 536 48 48 GLU H H 7.60 0.02 1 537 48 48 GLU HA H 4.40 0.02 1 538 48 48 GLU HB2 H 1.89 0.02 2 539 48 48 GLU HB3 H 2.30 0.02 2 540 48 48 GLU HG2 H 2.26 0.02 2 541 48 48 GLU HG3 H 2.29 0.02 2 542 48 48 GLU C C 175.2 0.2 1 543 48 48 GLU CA C 55.2 0.2 1 544 48 48 GLU CB C 30.1 0.2 1 545 48 48 GLU CG C 35.0 0.2 1 546 48 48 GLU N N 116.6 0.2 1 547 49 49 LEU H H 7.09 0.02 1 548 49 49 LEU HA H 4.48 0.02 1 549 49 49 LEU HB2 H 1.28 0.02 2 550 49 49 LEU HB3 H 1.65 0.02 2 551 49 49 LEU HD1 H 0.75 0.02 1 552 49 49 LEU HD2 H 0.74 0.02 1 553 49 49 LEU HG H 1.64 0.02 1 554 49 49 LEU C C 174.8 0.2 1 555 49 49 LEU CA C 54.0 0.2 1 556 49 49 LEU CB C 44.1 0.2 1 557 49 49 LEU CD1 C 25.9 0.2 1 558 49 49 LEU CD2 C 23.3 0.2 1 559 49 49 LEU CG C 26.5 0.2 1 560 49 49 LEU N N 121.0 0.2 1 561 50 50 PHE H H 7.87 0.02 1 562 50 50 PHE HA H 4.89 0.02 1 563 50 50 PHE HB2 H 2.88 0.02 2 564 50 50 PHE HB3 H 3.23 0.02 2 565 50 50 PHE HD1 H 7.09 0.02 3 566 50 50 PHE HE1 H 7.12 0.02 3 567 50 50 PHE HZ H 7.14 0.02 1 568 50 50 PHE C C 173.6 0.2 1 569 50 50 PHE CA C 57.1 0.2 1 570 50 50 PHE CB C 41.2 0.2 1 571 50 50 PHE CD1 C 132.8 0.2 3 572 50 50 PHE CE1 C 130.7 0.2 3 573 50 50 PHE CZ C 129.5 0.2 1 574 50 50 PHE N N 116.8 0.2 1 575 51 51 ALA H H 8.76 0.02 1 576 51 51 ALA HA H 5.18 0.02 1 577 51 51 ALA HB H 1.13 0.02 1 578 51 51 ALA C C 175.7 0.2 1 579 51 51 ALA CA C 49.9 0.2 1 580 51 51 ALA CB C 21.9 0.2 1 581 51 51 ALA N N 124.4 0.2 1 582 52 52 TYR H H 9.56 0.02 1 583 52 52 TYR HA H 6.15 0.02 1 584 52 52 TYR HB2 H 2.85 0.02 2 585 52 52 TYR HB3 H 2.89 0.02 2 586 52 52 TYR HD1 H 6.69 0.02 3 587 52 52 TYR HE1 H 6.58 0.02 3 588 52 52 TYR C C 173.8 0.2 1 589 52 52 TYR CA C 56.5 0.2 1 590 52 52 TYR CB C 42.5 0.2 1 591 52 52 TYR CD1 C 133.4 0.2 3 592 52 52 TYR CE1 C 118.0 0.2 3 593 52 52 TYR N N 116.7 0.2 1 594 53 53 VAL H H 7.94 0.02 1 595 53 53 VAL HA H 4.61 0.02 1 596 53 53 VAL HB H 1.68 0.02 1 597 53 53 VAL HG1 H 0.75 0.02 1 598 53 53 VAL HG2 H 0.51 0.02 1 599 53 53 VAL C C 174.0 0.2 1 600 53 53 VAL CA C 58.5 0.2 1 601 53 53 VAL CB C 34.6 0.2 1 602 53 53 VAL CG1 C 23.6 0.2 1 603 53 53 VAL CG2 C 18.1 0.2 1 604 53 53 VAL N N 109.3 0.2 1 605 54 54 ASP H H 9.38 0.02 1 606 54 54 ASP HA H 4.97 0.02 1 607 54 54 ASP HB2 H 2.42 0.02 2 608 54 54 ASP HB3 H 3.16 0.02 2 609 54 54 ASP C C 175.9 0.2 1 610 54 54 ASP CA C 52.6 0.2 1 611 54 54 ASP CB C 42.2 0.2 1 612 54 54 ASP N N 122.7 0.2 1 613 55 55 LEU H H 8.69 0.02 1 614 55 55 LEU HA H 4.27 0.02 1 615 55 55 LEU HB2 H 1.38 0.02 2 616 55 55 LEU HB3 H 1.75 0.02 2 617 55 55 LEU HD1 H 0.43 0.02 1 618 55 55 LEU HD2 H 0.27 0.02 1 619 55 55 LEU HG H 1.28 0.02 1 620 55 55 LEU C C 177.4 0.2 1 621 55 55 LEU CA C 55.2 0.2 1 622 55 55 LEU CB C 41.1 0.2 1 623 55 55 LEU CD1 C 25.8 0.2 1 624 55 55 LEU CD2 C 24.8 0.2 1 625 55 55 LEU CG C 28.7 0.2 1 626 55 55 LEU N N 125.8 0.2 1 627 56 56 SER H H 8.38 0.02 1 628 56 56 SER HA H 4.19 0.02 1 629 56 56 SER HB2 H 3.81 0.02 2 630 56 56 SER HB3 H 3.85 0.02 2 631 56 56 SER C C 176.6 0.2 1 632 56 56 SER CA C 60.9 0.2 1 633 56 56 SER CB C 63.2 0.2 1 634 56 56 SER N N 117.3 0.2 1 635 57 57 GLY H H 9.13 0.02 1 636 57 57 GLY HA2 H 3.81 0.02 2 637 57 57 GLY HA3 H 4.02 0.02 2 638 57 57 GLY C C 174.7 0.2 1 639 57 57 GLY CA C 45.8 0.2 1 640 57 57 GLY N N 114.2 0.2 1 641 58 58 SER H H 7.78 0.02 1 642 58 58 SER HA H 4.25 0.02 1 643 58 58 SER HB2 H 3.64 0.02 2 644 58 58 SER HB3 H 3.78 0.02 2 645 58 58 SER C C 173.5 0.2 1 646 58 58 SER CA C 59.8 0.2 1 647 58 58 SER CB C 64.6 0.2 1 648 58 58 SER N N 114.8 0.2 1 649 59 59 GLU H H 8.34 0.02 1 650 59 59 GLU HA H 4.70 0.02 1 651 59 59 GLU HB2 H 1.69 0.02 2 652 59 59 GLU HB3 H 2.18 0.02 2 653 59 59 GLU HG2 H 2.29 0.02 2 654 59 59 GLU HG3 H 2.38 0.02 2 655 59 59 GLU CA C 53.6 0.2 1 656 59 59 GLU CB C 29.7 0.2 1 657 59 59 GLU CG C 34.6 0.2 1 658 59 59 GLU N N 122.5 0.2 1 659 60 60 PRO HA H 4.13 0.02 1 660 60 60 PRO HB2 H 1.85 0.02 2 661 60 60 PRO HB3 H 2.16 0.02 2 662 60 60 PRO HD2 H 3.63 0.02 2 663 60 60 PRO HD3 H 3.74 0.02 2 664 60 60 PRO HG2 H 1.49 0.02 2 665 60 60 PRO HG3 H 1.80 0.02 2 666 60 60 PRO C C 175.7 0.2 1 667 60 60 PRO CA C 63.9 0.2 1 668 60 60 PRO CB C 32.3 0.2 1 669 60 60 PRO CD C 50.4 0.2 1 670 60 60 PRO CG C 27.8 0.2 1 671 61 61 GLY H H 8.86 0.02 1 672 61 61 GLY HA2 H 3.75 0.02 2 673 61 61 GLY HA3 H 4.41 0.02 2 674 61 61 GLY C C 172.1 0.2 1 675 61 61 GLY CA C 43.7 0.2 1 676 61 61 GLY N N 110.8 0.2 1 677 62 62 GLU H H 8.26 0.02 1 678 62 62 GLU HA H 5.02 0.02 1 679 62 62 GLU HB2 H 1.79 0.02 2 680 62 62 GLU HB3 H 1.82 0.02 2 681 62 62 GLU HG2 H 1.98 0.02 2 682 62 62 GLU HG3 H 2.00 0.02 2 683 62 62 GLU C C 175.2 0.2 1 684 62 62 GLU CA C 55.1 0.2 1 685 62 62 GLU CB C 30.6 0.2 1 686 62 62 GLU CG C 35.5 0.2 1 687 62 62 GLU N N 121.5 0.2 1 688 63 63 HIS H H 8.63 0.02 1 689 63 63 HIS HA H 4.82 0.02 1 690 63 63 HIS HB2 H 2.87 0.02 2 691 63 63 HIS HB3 H 2.91 0.02 2 692 63 63 HIS HD2 H 6.90 0.02 1 693 63 63 HIS C C 171.0 0.2 1 694 63 63 HIS CA C 53.7 0.2 1 695 63 63 HIS CB C 32.1 0.2 1 696 63 63 HIS CD2 C 120.9 0.2 1 697 63 63 HIS N N 121.4 0.2 1 698 64 64 ASP H H 8.12 0.02 1 699 64 64 ASP HA H 5.33 0.02 1 700 64 64 ASP HB2 H 2.22 0.02 2 701 64 64 ASP HB3 H 2.40 0.02 2 702 64 64 ASP C C 175.9 0.2 1 703 64 64 ASP CA C 52.7 0.2 1 704 64 64 ASP CB C 41.2 0.2 1 705 64 64 ASP N N 120.7 0.2 1 706 65 65 TYR H H 9.12 0.02 1 707 65 65 TYR HA H 4.61 0.02 1 708 65 65 TYR HB2 H 2.46 0.02 2 709 65 65 TYR HB3 H 3.03 0.02 2 710 65 65 TYR HD1 H 7.03 0.02 3 711 65 65 TYR HE1 H 6.63 0.02 3 712 65 65 TYR C C 174.5 0.2 1 713 65 65 TYR CA C 57.5 0.2 1 714 65 65 TYR CB C 42.1 0.2 1 715 65 65 TYR CD1 C 133.8 0.2 3 716 65 65 TYR CE1 C 118.1 0.2 3 717 65 65 TYR N N 120.0 0.2 1 718 66 66 GLU H H 8.73 0.02 1 719 66 66 GLU HA H 4.44 0.02 1 720 66 66 GLU HB2 H 1.96 0.02 2 721 66 66 GLU HB3 H 2.00 0.02 2 722 66 66 GLU HG2 H 2.16 0.02 2 723 66 66 GLU HG3 H 2.39 0.02 2 724 66 66 GLU C C 175.3 0.2 1 725 66 66 GLU CA C 56.3 0.2 1 726 66 66 GLU CB C 30.6 0.2 1 727 66 66 GLU CG C 35.9 0.2 1 728 66 66 GLU N N 123.0 0.2 1 729 67 67 VAL H H 8.03 0.02 1 730 67 67 VAL HA H 3.75 0.02 1 731 67 67 VAL HB H 1.85 0.02 1 732 67 67 VAL HG1 H 0.71 0.02 1 733 67 67 VAL HG2 H 0.66 0.02 1 734 67 67 VAL C C 175.0 0.2 1 735 67 67 VAL CA C 63.4 0.2 1 736 67 67 VAL CB C 32.0 0.2 1 737 67 67 VAL CG1 C 23.3 0.2 1 738 67 67 VAL CG2 C 22.3 0.2 1 739 67 67 VAL N N 126.9 0.2 1 740 68 68 LYS H H 8.81 0.02 1 741 68 68 LYS HA H 4.44 0.02 1 742 68 68 LYS HB2 H 0.31 0.02 2 743 68 68 LYS HB3 H 1.26 0.02 2 744 68 68 LYS HD2 H 1.46 0.02 2 745 68 68 LYS HD3 H 1.52 0.02 2 746 68 68 LYS HE2 H 2.97 0.02 2 747 68 68 LYS HE3 H 2.99 0.02 2 748 68 68 LYS HG2 H 1.15 0.02 2 749 68 68 LYS HG3 H 1.18 0.02 2 750 68 68 LYS C C 174.4 0.2 1 751 68 68 LYS CA C 54.2 0.2 1 752 68 68 LYS CB C 34.6 0.2 1 753 68 68 LYS CD C 28.9 0.2 1 754 68 68 LYS CE C 42.3 0.2 1 755 68 68 LYS CG C 24.8 0.2 1 756 68 68 LYS N N 127.5 0.2 1 757 69 69 VAL H H 8.05 0.02 1 758 69 69 VAL HA H 4.28 0.02 1 759 69 69 VAL HB H 1.72 0.02 1 760 69 69 VAL HG1 H 0.88 0.02 1 761 69 69 VAL HG2 H 0.71 0.02 1 762 69 69 VAL C C 175.8 0.2 1 763 69 69 VAL CA C 61.4 0.2 1 764 69 69 VAL CB C 35.2 0.2 1 765 69 69 VAL CG1 C 20.9 0.2 1 766 69 69 VAL CG2 C 21.9 0.2 1 767 69 69 VAL N N 118.4 0.2 1 768 70 70 GLU H H 8.59 0.02 1 769 70 70 GLU HA H 4.52 0.02 1 770 70 70 GLU HB2 H 1.86 0.02 2 771 70 70 GLU HB3 H 1.99 0.02 2 772 70 70 GLU HG2 H 2.37 0.02 2 773 70 70 GLU HG3 H 2.40 0.02 2 774 70 70 GLU CA C 55.1 0.2 1 775 70 70 GLU CB C 28.1 0.2 1 776 70 70 GLU CG C 35.0 0.2 1 777 70 70 GLU N N 128.4 0.2 1 778 71 71 PRO HA H 4.20 0.02 1 779 71 71 PRO HB2 H 1.77 0.02 2 780 71 71 PRO HB3 H 2.27 0.02 2 781 71 71 PRO HD2 H 3.59 0.02 2 782 71 71 PRO HD3 H 3.85 0.02 2 783 71 71 PRO HG2 H 1.88 0.02 2 784 71 71 PRO HG3 H 1.98 0.02 2 785 71 71 PRO C C 176.3 0.2 1 786 71 71 PRO CA C 63.5 0.2 1 787 71 71 PRO CB C 32.1 0.2 1 788 71 71 PRO CD C 50.4 0.2 1 789 71 71 PRO CG C 27.8 0.2 1 790 72 72 ILE H H 8.96 0.02 1 791 72 72 ILE HA H 4.40 0.02 1 792 72 72 ILE HB H 1.52 0.02 1 793 72 72 ILE HD1 H 0.62 0.02 1 794 72 72 ILE HG12 H 0.85 0.02 2 795 72 72 ILE HG13 H 1.82 0.02 2 796 72 72 ILE HG2 H 0.79 0.02 1 797 72 72 ILE CA C 58.1 0.2 1 798 72 72 ILE CB C 41.5 0.2 1 799 72 72 ILE CD1 C 14.0 0.2 1 800 72 72 ILE CG1 C 26.7 0.2 1 801 72 72 ILE CG2 C 17.7 0.2 1 802 72 72 ILE N N 126.0 0.2 1 803 73 73 PRO HA H 4.15 0.02 1 804 73 73 PRO HB2 H 1.65 0.02 2 805 73 73 PRO HB3 H 2.22 0.02 2 806 73 73 PRO HD2 H 3.43 0.02 2 807 73 73 PRO HD3 H 3.80 0.02 2 808 73 73 PRO HG2 H 1.91 0.02 2 809 73 73 PRO HG3 H 1.99 0.02 2 810 73 73 PRO C C 176.8 0.2 1 811 73 73 PRO CA C 64.3 0.2 1 812 73 73 PRO CB C 31.8 0.2 1 813 73 73 PRO CD C 51.1 0.2 1 814 73 73 PRO CG C 27.7 0.2 1 815 74 74 ASN H H 8.80 0.02 1 816 74 74 ASN HA H 4.25 0.02 1 817 74 74 ASN HB2 H 2.97 0.02 2 818 74 74 ASN HB3 H 3.18 0.02 2 819 74 74 ASN HD21 H 6.98 0.02 2 820 74 74 ASN HD22 H 7.47 0.02 2 821 74 74 ASN C C 173.1 0.2 1 822 74 74 ASN CA C 55.2 0.2 1 823 74 74 ASN CB C 38.3 0.2 1 824 74 74 ASN CG C 178.7 0.2 1 825 74 74 ASN N N 115.7 0.2 1 826 74 74 ASN ND2 N 113.0 0.2 1 827 75 75 ILE H H 7.74 0.02 1 828 75 75 ILE HA H 4.59 0.02 1 829 75 75 ILE HB H 1.73 0.02 1 830 75 75 ILE HD1 H 0.59 0.02 1 831 75 75 ILE HG12 H 1.14 0.02 2 832 75 75 ILE HG13 H 1.17 0.02 2 833 75 75 ILE HG2 H 0.66 0.02 1 834 75 75 ILE C C 174.4 0.2 1 835 75 75 ILE CA C 58.6 0.2 1 836 75 75 ILE CB C 39.7 0.2 1 837 75 75 ILE CD1 C 10.8 0.2 1 838 75 75 ILE CG1 C 27.1 0.2 1 839 75 75 ILE CG2 C 17.6 0.2 1 840 75 75 ILE N N 119.3 0.2 1 841 76 76 LYS H H 8.84 0.02 1 842 76 76 LYS HA H 4.58 0.02 1 843 76 76 LYS HB2 H 1.72 0.02 2 844 76 76 LYS HB3 H 1.78 0.02 2 845 76 76 LYS HD2 H 1.58 0.02 2 846 76 76 LYS HD3 H 1.63 0.02 2 847 76 76 LYS HE2 H 2.97 0.02 2 848 76 76 LYS HE3 H 3.00 0.02 2 849 76 76 LYS HG2 H 1.18 0.02 2 850 76 76 LYS HG3 H 1.40 0.02 2 851 76 76 LYS C C 175.6 0.2 1 852 76 76 LYS CA C 54.4 0.2 1 853 76 76 LYS CB C 34.9 0.2 1 854 76 76 LYS CD C 29.2 0.2 1 855 76 76 LYS CE C 42.1 0.2 1 856 76 76 LYS CG C 24.6 0.2 1 857 76 76 LYS N N 127.3 0.2 1 858 77 77 ILE H H 8.79 0.02 1 859 77 77 ILE HA H 3.88 0.02 1 860 77 77 ILE HB H 1.86 0.02 1 861 77 77 ILE HD1 H 0.64 0.02 1 862 77 77 ILE HG12 H 1.02 0.02 2 863 77 77 ILE HG13 H 1.50 0.02 2 864 77 77 ILE HG2 H 0.70 0.02 1 865 77 77 ILE C C 176.2 0.2 1 866 77 77 ILE CA C 61.5 0.2 1 867 77 77 ILE CB C 37.0 0.2 1 868 77 77 ILE CD1 C 12.1 0.2 1 869 77 77 ILE CG1 C 27.8 0.2 1 870 77 77 ILE CG2 C 17.8 0.2 1 871 77 77 ILE N N 126.2 0.2 1 872 78 78 VAL H H 8.81 0.02 1 873 78 78 VAL HA H 4.14 0.02 1 874 78 78 VAL HB H 1.80 0.02 1 875 78 78 VAL HG1 H 0.82 0.02 1 876 78 78 VAL HG2 H 0.70 0.02 1 877 78 78 VAL C C 175.9 0.2 1 878 78 78 VAL CA C 63.0 0.2 1 879 78 78 VAL CB C 33.1 0.2 1 880 78 78 VAL CG1 C 21.1 0.2 1 881 78 78 VAL CG2 C 20.5 0.2 1 882 78 78 VAL N N 126.0 0.2 1 883 79 79 GLU H H 7.46 0.02 1 884 79 79 GLU HA H 4.43 0.02 1 885 79 79 GLU HB2 H 1.85 0.02 2 886 79 79 GLU HB3 H 2.03 0.02 2 887 79 79 GLU HG2 H 2.03 0.02 2 888 79 79 GLU HG3 H 2.26 0.02 2 889 79 79 GLU C C 173.1 0.2 1 890 79 79 GLU CA C 56.6 0.2 1 891 79 79 GLU CB C 33.7 0.2 1 892 79 79 GLU CG C 36.2 0.2 1 893 79 79 GLU N N 118.9 0.2 1 894 80 80 ILE H H 8.33 0.02 1 895 80 80 ILE HA H 4.45 0.02 1 896 80 80 ILE HB H 1.48 0.02 1 897 80 80 ILE HD1 H 0.77 0.02 1 898 80 80 ILE HG12 H 0.62 0.02 2 899 80 80 ILE HG13 H 1.42 0.02 2 900 80 80 ILE HG2 H 0.62 0.02 1 901 80 80 ILE C C 174.9 0.2 1 902 80 80 ILE CA C 61.2 0.2 1 903 80 80 ILE CB C 41.2 0.2 1 904 80 80 ILE CD1 C 14.2 0.2 1 905 80 80 ILE CG1 C 28.1 0.2 1 906 80 80 ILE CG2 C 17.5 0.2 1 907 80 80 ILE N N 126.3 0.2 1 908 81 81 SER H H 8.73 0.02 1 909 81 81 SER HA H 4.91 0.02 1 910 81 81 SER HB2 H 3.62 0.02 2 911 81 81 SER HB3 H 3.75 0.02 2 912 81 81 SER CA C 54.4 0.2 1 913 81 81 SER CB C 65.2 0.2 1 914 81 81 SER N N 119.6 0.2 1 915 82 82 PRO HA H 4.81 0.02 1 916 82 82 PRO HB2 H 2.24 0.02 2 917 82 82 PRO HB3 H 2.38 0.02 2 918 82 82 PRO HD2 H 3.54 0.02 2 919 82 82 PRO HD3 H 3.86 0.02 2 920 82 82 PRO HG2 H 1.67 0.02 2 921 82 82 PRO HG3 H 1.88 0.02 2 922 82 82 PRO C C 173.7 0.2 1 923 82 82 PRO CA C 62.8 0.2 1 924 82 82 PRO CB C 34.2 0.2 1 925 82 82 PRO CD C 50.3 0.2 1 926 82 82 PRO CG C 24.6 0.2 1 927 83 83 ARG H H 8.29 0.02 1 928 83 83 ARG HA H 4.13 0.02 1 929 83 83 ARG HB2 H 1.91 0.02 2 930 83 83 ARG HB3 H 1.95 0.02 2 931 83 83 ARG HD2 H 3.27 0.02 2 932 83 83 ARG HD3 H 3.30 0.02 2 933 83 83 ARG HE H 7.37 0.02 1 934 83 83 ARG HG2 H 1.77 0.02 2 935 83 83 ARG HG3 H 1.80 0.02 2 936 83 83 ARG C C 177.0 0.2 1 937 83 83 ARG CA C 57.2 0.2 1 938 83 83 ARG CB C 31.4 0.2 1 939 83 83 ARG CD C 43.4 0.2 1 940 83 83 ARG CG C 27.6 0.2 1 941 83 83 ARG CZ C 159.5 0.2 1 942 83 83 ARG N N 116.3 0.2 1 943 83 83 ARG NE N 84.4 0.2 1 944 84 84 VAL H H 7.53 0.02 1 945 84 84 VAL HA H 4.94 0.02 1 946 84 84 VAL HB H 1.76 0.02 1 947 84 84 VAL HG1 H 0.74 0.02 1 948 84 84 VAL HG2 H 0.78 0.02 1 949 84 84 VAL C C 174.7 0.2 1 950 84 84 VAL CA C 59.4 0.2 1 951 84 84 VAL CB C 36.0 0.2 1 952 84 84 VAL CG1 C 21.3 0.2 1 953 84 84 VAL CG2 C 20.8 0.2 1 954 84 84 VAL N N 116.5 0.2 1 955 85 85 VAL H H 8.79 0.02 1 956 85 85 VAL HA H 4.60 0.02 1 957 85 85 VAL HB H 1.87 0.02 1 958 85 85 VAL HG1 H 0.70 0.02 1 959 85 85 VAL HG2 H 0.75 0.02 1 960 85 85 VAL C C 174.1 0.2 1 961 85 85 VAL CA C 59.2 0.2 1 962 85 85 VAL CB C 35.3 0.2 1 963 85 85 VAL CG1 C 21.9 0.2 1 964 85 85 VAL CG2 C 20.1 0.2 1 965 85 85 VAL N N 118.5 0.2 1 966 86 86 THR H H 8.62 0.02 1 967 86 86 THR HA H 5.18 0.02 1 968 86 86 THR HB H 3.74 0.02 1 969 86 86 THR HG2 H 1.06 0.02 1 970 86 86 THR C C 174.4 0.2 1 971 86 86 THR CA C 62.0 0.2 1 972 86 86 THR CB C 69.6 0.2 1 973 86 86 THR CG2 C 21.8 0.2 1 974 86 86 THR N N 123.2 0.2 1 975 87 87 LEU H H 9.13 0.02 1 976 87 87 LEU HA H 4.91 0.02 1 977 87 87 LEU HB2 H 1.31 0.02 2 978 87 87 LEU HB3 H 1.82 0.02 2 979 87 87 LEU HD1 H 0.61 0.02 1 980 87 87 LEU HD2 H 0.72 0.02 1 981 87 87 LEU HG H 1.71 0.02 1 982 87 87 LEU C C 174.7 0.2 1 983 87 87 LEU CA C 53.2 0.2 1 984 87 87 LEU CB C 45.9 0.2 1 985 87 87 LEU CD1 C 25.7 0.2 1 986 87 87 LEU CD2 C 24.4 0.2 1 987 87 87 LEU CG C 26.9 0.2 1 988 87 87 LEU N N 124.8 0.2 1 989 88 88 GLN H H 8.36 0.02 1 990 88 88 GLN HA H 4.86 0.02 1 991 88 88 GLN HB2 H 1.85 0.02 2 992 88 88 GLN HB3 H 1.94 0.02 2 993 88 88 GLN HE21 H 6.73 0.02 2 994 88 88 GLN HE22 H 7.56 0.02 2 995 88 88 GLN HG2 H 2.08 0.02 2 996 88 88 GLN HG3 H 2.10 0.02 2 997 88 88 GLN C C 174.0 0.2 1 998 88 88 GLN CA C 54.4 0.2 1 999 88 88 GLN CB C 30.1 0.2 1 1000 88 88 GLN CD C 179.0 0.2 1 1001 88 88 GLN CG C 33.5 0.2 1 1002 88 88 GLN N N 120.9 0.2 1 1003 88 88 GLN NE2 N 111.0 0.2 1 1004 89 89 LEU H H 8.81 0.02 1 1005 89 89 LEU HA H 5.15 0.02 1 1006 89 89 LEU HB2 H 1.64 0.02 2 1007 89 89 LEU HB3 H 1.67 0.02 2 1008 89 89 LEU HD1 H 0.79 0.02 1 1009 89 89 LEU HD2 H 0.69 0.02 1 1010 89 89 LEU HG H 1.51 0.02 1 1011 89 89 LEU C C 176.5 0.2 1 1012 89 89 LEU CA C 53.6 0.2 1 1013 89 89 LEU CB C 45.3 0.2 1 1014 89 89 LEU CD1 C 25.0 0.2 1 1015 89 89 LEU CD2 C 25.8 0.2 1 1016 89 89 LEU CG C 28.5 0.2 1 1017 89 89 LEU N N 128.9 0.2 1 1018 90 90 GLU H H 8.85 0.02 1 1019 90 90 GLU HA H 4.78 0.02 1 1020 90 90 GLU HB2 H 1.87 0.02 2 1021 90 90 GLU HB3 H 2.15 0.02 2 1022 90 90 GLU C C 175.5 0.2 1 1023 90 90 GLU CA C 54.1 0.2 1 1024 90 90 GLU CB C 33.7 0.2 1 1025 90 90 GLU CG C 35.1 0.2 1 1026 90 90 GLU N N 122.4 0.2 1 1027 91 91 HIS H H 9.23 0.02 1 1028 91 91 HIS HA H 5.02 0.02 1 1029 91 91 HIS HB2 H 3.09 0.02 2 1030 91 91 HIS HB3 H 3.21 0.02 2 1031 91 91 HIS C C 174.5 0.2 1 1032 91 91 HIS CA C 55.2 0.2 1 1033 91 91 HIS CB C 29.4 0.2 1 1034 91 91 HIS N N 121.2 0.2 1 1035 92 92 HIS H H 8.26 0.02 1 1036 92 92 HIS HA H 4.52 0.02 1 1037 92 92 HIS HB2 H 2.93 0.02 2 1038 92 92 HIS HB3 H 2.99 0.02 2 1039 92 92 HIS CA C 55.6 0.2 1 1040 92 92 HIS CB C 29.9 0.2 1 1041 92 92 HIS N N 121.7 0.2 1 stop_ save_