data_16791 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; solution NMR structure of yaiA from Escherichia Eoli. Northeast Structural Genomics Target ER244 ; _BMRB_accession_number 16791 _BMRB_flat_file_name bmr16791.str _Entry_type original _Submission_date 2010-03-28 _Accession_date 2010-03-28 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tang Yuefeng . . 2 Janjua Haleema . . 3 Xiao Rong . . 4 Acton Thomas B. . 5 Swapna G.V.T. . . 6 Rost Burkhard . . 7 Montelione Geatano T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 393 "13C chemical shifts" 281 "15N chemical shifts" 58 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-04-26 original author . stop_ _Original_release_date 2010-04-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'solution NMR structure of yaiA from Escherichia coli. Northeast Structural Genomics Target ER244' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tang Yuefeng . . 2 Janjua Haleema . . 3 Xiao Rong . . 4 Acton Thomas B. . 5 Swapna G.V.T. . . 6 Rost Burkhard . . 7 Montelione Gaetano T. . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name yaiA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ER244 $ER244 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_ER244 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common yaiA _Molecular_mass 16710.875 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 71 _Mol_residue_sequence ; MPTKPPYPREAYIVTIEKGK PGQTVTWYQLRADHPKPDSL ISEHPTAQEAMDAKKRYEDP DKELEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 PRO 3 THR 4 LYS 5 PRO 6 PRO 7 TYR 8 PRO 9 ARG 10 GLU 11 ALA 12 TYR 13 ILE 14 VAL 15 THR 16 ILE 17 GLU 18 LYS 19 GLY 20 LYS 21 PRO 22 GLY 23 GLN 24 THR 25 VAL 26 THR 27 TRP 28 TYR 29 GLN 30 LEU 31 ARG 32 ALA 33 ASP 34 HIS 35 PRO 36 LYS 37 PRO 38 ASP 39 SER 40 LEU 41 ILE 42 SER 43 GLU 44 HIS 45 PRO 46 THR 47 ALA 48 GLN 49 GLU 50 ALA 51 MET 52 ASP 53 ALA 54 LYS 55 LYS 56 ARG 57 TYR 58 GLU 59 ASP 60 PRO 61 ASP 62 LYS 63 GLU 64 LEU 65 GLU 66 HIS 67 HIS 68 HIS 69 HIS 70 HIS 71 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2KVT "Solution Nmr Structure Of Yaia From Escherichia Eoli. Northe Structural Genomics Target Er244" 100.00 71 100.00 100.00 9.20e-43 DBJ BAB33862 "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" 88.73 63 100.00 100.00 9.05e-37 DBJ BAE76170 "hypothetical protein [Escherichia coli str. K12 substr. W3110]" 88.73 63 100.00 100.00 9.05e-37 DBJ BAG75934 "conserved hypothetical protein [Escherichia coli SE11]" 88.73 63 100.00 100.00 9.05e-37 DBJ BAI23762 "conserved predicted protein [Escherichia coli O26:H11 str. 11368]" 88.73 63 100.00 100.00 9.05e-37 DBJ BAI29233 "conserved predicted protein [Escherichia coli O103:H2 str. 12009]" 88.73 63 100.00 100.00 9.05e-37 EMBL CAP74924 "Uncharacterized protein yaiA [Escherichia coli LF82]" 88.73 63 100.00 100.00 9.05e-37 EMBL CAQ30857 "predicted protein [Escherichia coli BL21(DE3)]" 88.73 63 100.00 100.00 9.05e-37 EMBL CAQ97261 "conserved hypothetical protein [Escherichia coli IAI1]" 88.73 63 100.00 100.00 9.05e-37 EMBL CAR01733 "conserved hypothetical protein [Escherichia coli S88]" 88.73 63 98.41 100.00 2.89e-36 EMBL CAR06622 "conserved hypothetical protein [Escherichia coli ED1a]" 88.73 63 100.00 100.00 9.05e-37 GB AAA83834 "unknown protein [Escherichia coli]" 88.73 63 100.00 100.00 9.05e-37 GB AAB18113 "unknown [Escherichia coli str. K-12 substr. MG1655]" 88.73 63 100.00 100.00 9.05e-37 GB AAC73492 "OxyR-regulated conserved protein [Escherichia coli str. K-12 substr. MG1655]" 88.73 63 100.00 100.00 9.05e-37 GB AAG54735 "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" 88.73 63 100.00 100.00 9.05e-37 GB AAN41984 "conserved hypothetical protein [Shigella flexneri 2a str. 301]" 88.73 63 100.00 100.00 9.05e-37 REF NP_308466 "hypothetical protein ECs0439 [Escherichia coli O157:H7 str. Sakai]" 88.73 63 100.00 100.00 9.05e-37 REF NP_414923 "OxyR-regulated conserved protein [Escherichia coli str. K-12 substr. MG1655]" 88.73 63 100.00 100.00 9.05e-37 REF NP_706277 "hypothetical protein SF0325 [Shigella flexneri 2a str. 301]" 88.73 63 100.00 100.00 9.05e-37 REF WP_001142433 "MULTISPECIES: hypothetical protein [Escherichia]" 88.73 63 98.41 100.00 2.89e-36 REF WP_001142434 "hypothetical protein [Escherichia coli]" 88.73 63 98.41 98.41 3.09e-36 SP P0AAN5 "RecName: Full=Uncharacterized protein YaiA" 88.73 63 100.00 100.00 9.05e-37 SP P0AAN6 "RecName: Full=Uncharacterized protein YaiA" 88.73 63 100.00 100.00 9.05e-37 SP P0AAN7 "RecName: Full=Uncharacterized protein YaiA" 88.73 63 100.00 100.00 9.05e-37 SP P0AAN8 "RecName: Full=Uncharacterized protein YaiA" 88.73 63 100.00 100.00 9.05e-37 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _ICTVdb_decimal_code _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ER244 'E. coli' Eubacteria 562 . . Escherichia coli 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 $ER244 'recombinant technology' 'E. coli' Escherichia coli . ER244-21.1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ER244 1.00 mM '[U-5% 13C; U-100% 15N]' DTT 5 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' TRIS 10 mM 'natural abundance' NaN3 10 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ER244 1.37 mM '[U-100% 13C; U-100% 15N]' DTT 5 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' TRIS 10 mM 'natural abundance' NaN3 10 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.110 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version 2.2.1 loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.3 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_AutoStructure _Saveframe_category software _Name AutoStruct _Version 2.2.1 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 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version 1.4 loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task 'structure validation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_CCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_aliphatic_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C aliphatic NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_aromatic_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C aromatic NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_(high_resolution)_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC (high resolution)' _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' 0.1 . M pH 7.5 . 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 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 $SPARKY $AutoAssign stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D CCH-TOCSY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name ER244 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 PRO HA H 4.432 . 1 2 2 2 PRO HB2 H 2.469 . 2 3 2 2 PRO HB3 H 2.050 . 2 4 2 2 PRO HD2 H 3.402 . 2 5 2 2 PRO HD3 H 3.372 . 2 6 2 2 PRO HG2 H 2.030 . 2 7 2 2 PRO HG3 H 2.030 . 2 8 2 2 PRO CA C 62.458 . 1 9 2 2 PRO CB C 32.678 . 1 10 2 2 PRO CD C 49.448 . 1 11 2 2 PRO CG C 26.672 . 1 12 3 3 THR HA H 4.363 . 1 13 3 3 THR HB H 4.181 . 1 14 3 3 THR HG2 H 1.255 . 1 15 3 3 THR CA C 62.309 . 1 16 3 3 THR CB C 70.020 . 1 17 3 3 THR CG2 C 21.876 . 1 18 4 4 LYS HA H 4.594 . 1 19 4 4 LYS HB2 H 1.792 . 2 20 4 4 LYS HB3 H 1.706 . 2 21 4 4 LYS HD2 H 1.691 . 2 22 4 4 LYS HD3 H 1.691 . 2 23 4 4 LYS HE2 H 2.978 . 2 24 4 4 LYS HE3 H 2.978 . 2 25 4 4 LYS HG2 H 1.450 . 2 26 4 4 LYS HG3 H 1.450 . 2 27 4 4 LYS CA C 54.217 . 1 28 4 4 LYS CB C 32.747 . 1 29 4 4 LYS CD C 29.290 . 1 30 4 4 LYS CE C 42.184 . 1 31 4 4 LYS CG C 24.519 . 1 32 5 5 PRO HA H 4.630 . 1 33 5 5 PRO HB2 H 2.264 . 2 34 5 5 PRO HB3 H 1.774 . 2 35 5 5 PRO HD2 H 3.829 . 2 36 5 5 PRO HD3 H 3.598 . 2 37 5 5 PRO HG2 H 1.974 . 2 38 5 5 PRO HG3 H 1.974 . 2 39 5 5 PRO CA C 61.379 . 1 40 5 5 PRO CB C 30.934 . 1 41 5 5 PRO CD C 50.649 . 1 42 5 5 PRO CG C 27.311 . 1 43 6 6 PRO HA H 4.338 . 1 44 6 6 PRO HB2 H 2.148 . 2 45 6 6 PRO HB3 H 1.800 . 2 46 6 6 PRO HD2 H 3.588 . 2 47 6 6 PRO HD3 H 3.712 . 2 48 6 6 PRO HG2 H 1.973 . 2 49 6 6 PRO HG3 H 1.892 . 2 50 6 6 PRO C C 176.089 . 1 51 6 6 PRO CA C 63.156 . 1 52 6 6 PRO CB C 31.720 . 1 53 6 6 PRO CD C 50.398 . 1 54 6 6 PRO CG C 27.226 . 1 55 7 7 TYR H H 7.668 . 1 56 7 7 TYR HA H 4.801 . 1 57 7 7 TYR HB2 H 2.991 . 2 58 7 7 TYR HB3 H 2.757 . 2 59 7 7 TYR HD1 H 7.080 . 3 60 7 7 TYR HD2 H 7.080 . 3 61 7 7 TYR HE1 H 6.771 . 3 62 7 7 TYR HE2 H 6.771 . 3 63 7 7 TYR CA C 55.070 . 1 64 7 7 TYR CB C 37.972 . 1 65 7 7 TYR CD1 C 133.733 . 3 66 7 7 TYR CD2 C 133.733 . 3 67 7 7 TYR CE1 C 118.107 . 3 68 7 7 TYR CE2 C 118.107 . 3 69 7 7 TYR N N 119.105 . 1 70 8 8 PRO HA H 4.386 . 1 71 8 8 PRO HB2 H 2.270 . 2 72 8 8 PRO HB3 H 1.904 . 2 73 8 8 PRO HD2 H 3.717 . 2 74 8 8 PRO HD3 H 3.803 . 2 75 8 8 PRO HG2 H 1.981 . 2 76 8 8 PRO HG3 H 1.888 . 2 77 8 8 PRO C C 176.765 . 1 78 8 8 PRO CA C 63.492 . 1 79 8 8 PRO CB C 32.161 . 1 80 8 8 PRO CD C 50.710 . 1 81 8 8 PRO CG C 27.238 . 1 82 9 9 ARG H H 8.469 . 1 83 9 9 ARG HA H 4.437 . 1 84 9 9 ARG HB2 H 1.711 . 2 85 9 9 ARG HB3 H 1.786 . 2 86 9 9 ARG HD2 H 2.923 . 2 87 9 9 ARG HD3 H 2.874 . 2 88 9 9 ARG HG2 H 1.529 . 2 89 9 9 ARG HG3 H 1.454 . 2 90 9 9 ARG C C 175.002 . 1 91 9 9 ARG CA C 55.663 . 1 92 9 9 ARG CB C 30.956 . 1 93 9 9 ARG CD C 43.290 . 1 94 9 9 ARG CG C 27.175 . 1 95 9 9 ARG N N 122.105 . 1 96 10 10 GLU H H 8.120 . 1 97 10 10 GLU HA H 4.759 . 1 98 10 10 GLU HB2 H 2.091 . 2 99 10 10 GLU HB3 H 2.019 . 2 100 10 10 GLU HG2 H 2.301 . 2 101 10 10 GLU HG3 H 2.301 . 2 102 10 10 GLU C C 175.249 . 1 103 10 10 GLU CA C 56.070 . 1 104 10 10 GLU CB C 32.610 . 1 105 10 10 GLU CG C 36.644 . 1 106 10 10 GLU N N 121.315 . 1 107 11 11 ALA H H 9.636 . 1 108 11 11 ALA HA H 5.106 . 1 109 11 11 ALA HB H 1.233 . 1 110 11 11 ALA C C 175.390 . 1 111 11 11 ALA CA C 50.754 . 1 112 11 11 ALA CB C 23.294 . 1 113 11 11 ALA N N 128.755 . 1 114 12 12 TYR H H 8.982 . 1 115 12 12 TYR HA H 4.976 . 1 116 12 12 TYR HB2 H 3.086 . 2 117 12 12 TYR HB3 H 2.938 . 2 118 12 12 TYR HD1 H 6.804 . 3 119 12 12 TYR HD2 H 6.804 . 3 120 12 12 TYR HE1 H 6.577 . 3 121 12 12 TYR HE2 H 6.577 . 3 122 12 12 TYR C C 172.945 . 1 123 12 12 TYR CA C 55.723 . 1 124 12 12 TYR CB C 40.064 . 1 125 12 12 TYR CD1 C 134.194 . 3 126 12 12 TYR CD2 C 134.194 . 3 127 12 12 TYR CE1 C 117.829 . 3 128 12 12 TYR CE2 C 117.829 . 3 129 12 12 TYR N N 116.246 . 1 130 13 13 ILE H H 8.564 . 1 131 13 13 ILE HA H 5.391 . 1 132 13 13 ILE HB H 1.697 . 1 133 13 13 ILE HD1 H 0.789 . 1 134 13 13 ILE HG12 H 1.534 . 2 135 13 13 ILE HG13 H 0.795 . 2 136 13 13 ILE HG2 H 0.964 . 1 137 13 13 ILE C C 176.943 . 1 138 13 13 ILE CA C 59.799 . 1 139 13 13 ILE CB C 40.062 . 1 140 13 13 ILE CD1 C 13.964 . 1 141 13 13 ILE CG1 C 29.082 . 1 142 13 13 ILE CG2 C 17.967 . 1 143 13 13 ILE N N 119.980 . 1 144 14 14 VAL H H 9.273 . 1 145 14 14 VAL HA H 4.779 . 1 146 14 14 VAL HB H 2.149 . 1 147 14 14 VAL HG1 H 1.080 . 1 148 14 14 VAL HG2 H 1.040 . 1 149 14 14 VAL C C 174.988 . 1 150 14 14 VAL CA C 60.079 . 1 151 14 14 VAL CB C 35.615 . 1 152 14 14 VAL CG1 C 21.281 . 1 153 14 14 VAL CG2 C 20.934 . 1 154 14 14 VAL N N 126.139 . 1 155 15 15 THR H H 8.442 . 1 156 15 15 THR HA H 4.942 . 1 157 15 15 THR HB H 3.954 . 1 158 15 15 THR HG2 H 0.885 . 1 159 15 15 THR C C 174.329 . 1 160 15 15 THR CA C 60.655 . 1 161 15 15 THR CB C 70.353 . 1 162 15 15 THR CG2 C 22.415 . 1 163 15 15 THR N N 116.535 . 1 164 16 16 ILE H H 8.719 . 1 165 16 16 ILE HA H 4.588 . 1 166 16 16 ILE HB H 1.630 . 1 167 16 16 ILE HD1 H 0.760 . 1 168 16 16 ILE HG12 H 1.368 . 2 169 16 16 ILE HG13 H 0.872 . 2 170 16 16 ILE HG2 H 0.751 . 1 171 16 16 ILE C C 173.133 . 1 172 16 16 ILE CA C 59.244 . 1 173 16 16 ILE CB C 42.347 . 1 174 16 16 ILE CD1 C 14.371 . 1 175 16 16 ILE CG1 C 27.860 . 1 176 16 16 ILE CG2 C 17.556 . 1 177 16 16 ILE N N 119.995 . 1 178 17 17 GLU H H 8.330 . 1 179 17 17 GLU HA H 4.945 . 1 180 17 17 GLU HB2 H 1.856 . 2 181 17 17 GLU HB3 H 1.712 . 2 182 17 17 GLU HG2 H 2.104 . 2 183 17 17 GLU HG3 H 2.197 . 2 184 17 17 GLU C C 176.594 . 1 185 17 17 GLU CA C 54.810 . 1 186 17 17 GLU CB C 30.907 . 1 187 17 17 GLU CG C 36.124 . 1 188 17 17 GLU N N 122.736 . 1 189 18 18 LYS H H 9.039 . 1 190 18 18 LYS HA H 4.660 . 1 191 18 18 LYS HB2 H 1.661 . 2 192 18 18 LYS HB3 H 1.582 . 2 193 18 18 LYS HD2 H 0.978 . 2 194 18 18 LYS HD3 H 0.601 . 2 195 18 18 LYS HE2 H 1.963 . 2 196 18 18 LYS HE3 H 2.231 . 2 197 18 18 LYS HG2 H 1.117 . 2 198 18 18 LYS HG3 H 1.061 . 2 199 18 18 LYS C C 176.032 . 1 200 18 18 LYS CA C 55.565 . 1 201 18 18 LYS CB C 35.655 . 1 202 18 18 LYS CD C 29.040 . 1 203 18 18 LYS CE C 41.463 . 1 204 18 18 LYS CG C 25.433 . 1 205 18 18 LYS N N 122.983 . 1 206 19 19 GLY H H 8.589 . 1 207 19 19 GLY HA2 H 4.642 . 2 208 19 19 GLY HA3 H 3.751 . 2 209 19 19 GLY C C 173.225 . 1 210 19 19 GLY CA C 43.674 . 1 211 19 19 GLY N N 110.655 . 1 212 20 20 LYS H H 8.236 . 1 213 20 20 LYS HA H 4.462 . 1 214 20 20 LYS HB2 H 1.788 . 2 215 20 20 LYS HB3 H 1.582 . 2 216 20 20 LYS HD2 H 1.671 . 2 217 20 20 LYS HD3 H 1.671 . 2 218 20 20 LYS HE2 H 2.978 . 2 219 20 20 LYS HE3 H 2.978 . 2 220 20 20 LYS HG2 H 1.468 . 2 221 20 20 LYS HG3 H 1.468 . 2 222 20 20 LYS CA C 54.433 . 1 223 20 20 LYS CB C 32.099 . 1 224 20 20 LYS CD C 29.239 . 1 225 20 20 LYS CE C 42.163 . 1 226 20 20 LYS CG C 24.737 . 1 227 20 20 LYS N N 121.545 . 1 228 21 21 PRO HA H 4.183 . 1 229 21 21 PRO HB2 H 2.272 . 2 230 21 21 PRO HB3 H 1.851 . 2 231 21 21 PRO HD2 H 3.867 . 2 232 21 21 PRO HD3 H 3.546 . 2 233 21 21 PRO HG2 H 2.127 . 2 234 21 21 PRO HG3 H 1.982 . 2 235 21 21 PRO C C 177.845 . 1 236 21 21 PRO CA C 64.554 . 1 237 21 21 PRO CB C 31.620 . 1 238 21 21 PRO CD C 50.395 . 1 239 21 21 PRO CG C 27.901 . 1 240 22 22 GLY H H 8.914 . 1 241 22 22 GLY HA2 H 4.316 . 2 242 22 22 GLY HA3 H 3.721 . 2 243 22 22 GLY C C 174.548 . 1 244 22 22 GLY CA C 45.419 . 1 245 22 22 GLY N N 113.893 . 1 246 23 23 GLN H H 8.737 . 1 247 23 23 GLN HA H 4.745 . 1 248 23 23 GLN HB2 H 2.258 . 2 249 23 23 GLN HB3 H 1.795 . 2 250 23 23 GLN HE21 H 7.601 . 2 251 23 23 GLN HE22 H 6.850 . 2 252 23 23 GLN HG2 H 2.253 . 2 253 23 23 GLN HG3 H 2.253 . 2 254 23 23 GLN C C 175.703 . 1 255 23 23 GLN CA C 54.405 . 1 256 23 23 GLN CB C 29.869 . 1 257 23 23 GLN CG C 33.938 . 1 258 23 23 GLN N N 121.707 . 1 259 23 23 GLN NE2 N 112.157 . 1 260 24 24 THR H H 7.792 . 1 261 24 24 THR HA H 4.660 . 1 262 24 24 THR HB H 4.028 . 1 263 24 24 THR HG2 H 0.925 . 1 264 24 24 THR C C 174.954 . 1 265 24 24 THR CA C 61.424 . 1 266 24 24 THR CB C 70.847 . 1 267 24 24 THR CG2 C 22.185 . 1 268 24 24 THR N N 112.725 . 1 269 25 25 VAL H H 8.810 . 1 270 25 25 VAL HA H 4.405 . 1 271 25 25 VAL HB H 2.099 . 1 272 25 25 VAL HG1 H 0.947 . 1 273 25 25 VAL HG2 H 1.044 . 1 274 25 25 VAL C C 175.358 . 1 275 25 25 VAL CA C 60.985 . 1 276 25 25 VAL CB C 35.806 . 1 277 25 25 VAL CG1 C 21.370 . 1 278 25 25 VAL CG2 C 21.155 . 1 279 25 25 VAL N N 120.816 . 1 280 26 26 THR H H 8.546 . 1 281 26 26 THR HA H 4.678 . 1 282 26 26 THR HB H 3.808 . 1 283 26 26 THR HG2 H 0.840 . 1 284 26 26 THR C C 173.948 . 1 285 26 26 THR CA C 63.867 . 1 286 26 26 THR CB C 69.295 . 1 287 26 26 THR CG2 C 22.223 . 1 288 26 26 THR N N 124.595 . 1 289 27 27 TRP H H 9.289 . 1 290 27 27 TRP HA H 4.646 . 1 291 27 27 TRP HB2 H 3.055 . 2 292 27 27 TRP HB3 H 2.765 . 2 293 27 27 TRP HD1 H 7.185 . 1 294 27 27 TRP HE1 H 10.253 . 1 295 27 27 TRP HE3 H 7.303 . 1 296 27 27 TRP HH2 H 7.236 . 1 297 27 27 TRP HZ2 H 7.476 . 1 298 27 27 TRP HZ3 H 6.929 . 1 299 27 27 TRP C C 173.585 . 1 300 27 27 TRP CA C 56.649 . 1 301 27 27 TRP CB C 32.152 . 1 302 27 27 TRP CD1 C 125.922 . 1 303 27 27 TRP CE3 C 120.380 . 1 304 27 27 TRP CH2 C 124.581 . 1 305 27 27 TRP CZ2 C 114.731 . 1 306 27 27 TRP CZ3 C 120.257 . 1 307 27 27 TRP N N 127.596 . 1 308 27 27 TRP NE1 N 130.140 . 1 309 28 28 TYR H H 8.916 . 1 310 28 28 TYR HA H 4.767 . 1 311 28 28 TYR HB2 H 2.776 . 2 312 28 28 TYR HB3 H 2.426 . 2 313 28 28 TYR HD1 H 6.722 . 3 314 28 28 TYR HD2 H 6.722 . 3 315 28 28 TYR HE1 H 6.652 . 3 316 28 28 TYR HE2 H 6.652 . 3 317 28 28 TYR C C 175.724 . 1 318 28 28 TYR CA C 57.352 . 1 319 28 28 TYR CB C 40.517 . 1 320 28 28 TYR CD1 C 132.931 . 3 321 28 28 TYR CD2 C 132.931 . 3 322 28 28 TYR CE1 C 118.154 . 3 323 28 28 TYR CE2 C 118.154 . 3 324 28 28 TYR N N 118.166 . 1 325 29 29 GLN H H 9.725 . 1 326 29 29 GLN HA H 5.036 . 1 327 29 29 GLN HB2 H 2.277 . 2 328 29 29 GLN HB3 H 1.603 . 2 329 29 29 GLN HE21 H 8.401 . 2 330 29 29 GLN HE22 H 7.166 . 2 331 29 29 GLN HG2 H 2.209 . 2 332 29 29 GLN HG3 H 2.335 . 2 333 29 29 GLN C C 173.944 . 1 334 29 29 GLN CA C 54.728 . 1 335 29 29 GLN CB C 30.266 . 1 336 29 29 GLN CG C 34.199 . 1 337 29 29 GLN N N 121.413 . 1 338 29 29 GLN NE2 N 116.343 . 1 339 30 30 LEU H H 9.360 . 1 340 30 30 LEU HA H 4.848 . 1 341 30 30 LEU HB2 H 2.342 . 2 342 30 30 LEU HB3 H 1.036 . 2 343 30 30 LEU HD1 H 0.719 . 1 344 30 30 LEU HD2 H 0.581 . 1 345 30 30 LEU HG H 1.079 . 1 346 30 30 LEU C C 174.795 . 1 347 30 30 LEU CA C 54.014 . 1 348 30 30 LEU CB C 43.410 . 1 349 30 30 LEU CD1 C 24.774 . 1 350 30 30 LEU CD2 C 25.488 . 1 351 30 30 LEU CG C 27.064 . 1 352 30 30 LEU N N 125.766 . 1 353 31 31 ARG H H 9.169 . 1 354 31 31 ARG HA H 5.157 . 1 355 31 31 ARG HB2 H 1.402 . 2 356 31 31 ARG HB3 H 0.858 . 2 357 31 31 ARG HD2 H 3.100 . 2 358 31 31 ARG HD3 H 2.964 . 2 359 31 31 ARG HE H 6.587 . 1 360 31 31 ARG HG2 H 1.337 . 2 361 31 31 ARG HG3 H 1.213 . 2 362 31 31 ARG C C 172.557 . 1 363 31 31 ARG CA C 54.507 . 1 364 31 31 ARG CB C 34.350 . 1 365 31 31 ARG CD C 43.444 . 1 366 31 31 ARG CG C 29.208 . 1 367 31 31 ARG N N 127.666 . 1 368 31 31 ARG NE N 83.439 . 1 369 32 32 ALA H H 8.587 . 1 370 32 32 ALA HA H 4.675 . 1 371 32 32 ALA HB H 1.456 . 1 372 32 32 ALA C C 176.343 . 1 373 32 32 ALA CA C 51.451 . 1 374 32 32 ALA CB C 23.425 . 1 375 32 32 ALA N N 117.474 . 1 376 33 33 ASP H H 9.097 . 1 377 33 33 ASP HA H 5.441 . 1 378 33 33 ASP HB2 H 2.955 . 2 379 33 33 ASP HB3 H 2.528 . 2 380 33 33 ASP C C 174.003 . 1 381 33 33 ASP CA C 54.047 . 1 382 33 33 ASP CB C 40.095 . 1 383 33 33 ASP N N 117.950 . 1 384 34 34 HIS H H 7.085 . 1 385 34 34 HIS HA H 4.508 . 1 386 34 34 HIS HB2 H 2.904 . 2 387 34 34 HIS HB3 H 2.904 . 2 388 34 34 HIS CA C 53.973 . 1 389 34 34 HIS CB C 33.560 . 1 390 34 34 HIS N N 117.252 . 1 391 35 35 PRO HA H 3.826 . 1 392 35 35 PRO HB2 H 2.018 . 2 393 35 35 PRO HB3 H 1.923 . 2 394 35 35 PRO HD2 H 3.643 . 2 395 35 35 PRO HD3 H 3.361 . 2 396 35 35 PRO HG2 H 1.657 . 2 397 35 35 PRO HG3 H 1.908 . 2 398 35 35 PRO C C 175.363 . 1 399 35 35 PRO CA C 63.669 . 1 400 35 35 PRO CB C 34.002 . 1 401 35 35 PRO CD C 49.464 . 1 402 35 35 PRO CG C 24.815 . 1 403 36 36 LYS H H 7.072 . 1 404 36 36 LYS HB2 H 1.761 . 2 405 36 36 LYS HB3 H 1.497 . 2 406 36 36 LYS HD2 H 1.641 . 2 407 36 36 LYS HD3 H 1.686 . 2 408 36 36 LYS HE2 H 2.955 . 2 409 36 36 LYS HE3 H 2.958 . 2 410 36 36 LYS HG2 H 1.277 . 2 411 36 36 LYS HG3 H 1.278 . 2 412 36 36 LYS CA C 53.076 . 1 413 36 36 LYS CB C 33.846 . 1 414 36 36 LYS CD C 29.118 . 1 415 36 36 LYS CE C 42.099 . 1 416 36 36 LYS CG C 24.273 . 1 417 36 36 LYS N N 120.651 . 1 418 37 37 PRO HA H 4.204 . 1 419 37 37 PRO HB2 H 2.273 . 2 420 37 37 PRO HB3 H 1.794 . 2 421 37 37 PRO HD2 H 3.547 . 2 422 37 37 PRO HD3 H 3.844 . 2 423 37 37 PRO HG2 H 2.128 . 2 424 37 37 PRO HG3 H 1.981 . 2 425 37 37 PRO C C 175.859 . 1 426 37 37 PRO CA C 63.902 . 1 427 37 37 PRO CB C 31.818 . 1 428 37 37 PRO CD C 50.451 . 1 429 37 37 PRO CG C 27.836 . 1 430 38 38 ASP H H 9.367 . 1 431 38 38 ASP HA H 4.380 . 1 432 38 38 ASP HB2 H 3.047 . 2 433 38 38 ASP HB3 H 2.438 . 2 434 38 38 ASP C C 176.097 . 1 435 38 38 ASP CA C 55.036 . 1 436 38 38 ASP CB C 40.098 . 1 437 38 38 ASP N N 121.357 . 1 438 39 39 SER H H 9.012 . 1 439 39 39 SER HA H 4.356 . 1 440 39 39 SER HB2 H 3.963 . 2 441 39 39 SER HB3 H 3.637 . 2 442 39 39 SER C C 173.181 . 1 443 39 39 SER CA C 60.154 . 1 444 39 39 SER CB C 64.251 . 1 445 39 39 SER N N 116.652 . 1 446 40 40 LEU H H 8.604 . 1 447 40 40 LEU HA H 4.208 . 1 448 40 40 LEU HB2 H 1.843 . 2 449 40 40 LEU HB3 H 1.219 . 2 450 40 40 LEU HD1 H 0.732 . 1 451 40 40 LEU HD2 H 0.728 . 1 452 40 40 LEU HG H 1.190 . 1 453 40 40 LEU C C 176.199 . 1 454 40 40 LEU CA C 55.244 . 1 455 40 40 LEU CB C 42.384 . 1 456 40 40 LEU CD1 C 23.871 . 1 457 40 40 LEU CD2 C 25.843 . 1 458 40 40 LEU CG C 27.078 . 1 459 40 40 LEU N N 124.905 . 1 460 41 41 ILE H H 9.410 . 1 461 41 41 ILE HA H 4.057 . 1 462 41 41 ILE HB H 1.599 . 1 463 41 41 ILE HD1 H 0.308 . 1 464 41 41 ILE HG12 H 1.004 . 2 465 41 41 ILE HG13 H 0.864 . 2 466 41 41 ILE HG2 H 0.802 . 1 467 41 41 ILE C C 176.477 . 1 468 41 41 ILE CA C 62.276 . 1 469 41 41 ILE CB C 37.097 . 1 470 41 41 ILE CD1 C 10.718 . 1 471 41 41 ILE CG1 C 26.865 . 1 472 41 41 ILE CG2 C 17.526 . 1 473 41 41 ILE N N 129.751 . 1 474 42 42 SER H H 7.819 . 1 475 42 42 SER HA H 4.429 . 1 476 42 42 SER HB2 H 4.036 . 2 477 42 42 SER HB3 H 3.671 . 2 478 42 42 SER C C 171.810 . 1 479 42 42 SER CA C 58.102 . 1 480 42 42 SER CB C 62.385 . 1 481 42 42 SER N N 109.508 . 1 482 43 43 GLU H H 8.330 . 1 483 43 43 GLU HA H 5.282 . 1 484 43 43 GLU HB2 H 1.882 . 2 485 43 43 GLU HB3 H 1.986 . 2 486 43 43 GLU HG2 H 2.189 . 2 487 43 43 GLU HG3 H 2.114 . 2 488 43 43 GLU C C 174.950 . 1 489 43 43 GLU CA C 55.270 . 1 490 43 43 GLU CB C 34.354 . 1 491 43 43 GLU CG C 38.049 . 1 492 43 43 GLU N N 117.699 . 1 493 44 44 HIS H H 9.179 . 1 494 44 44 HIS HA H 5.196 . 1 495 44 44 HIS HB2 H 3.134 . 2 496 44 44 HIS HB3 H 2.957 . 2 497 44 44 HIS CA C 54.068 . 1 498 44 44 HIS CB C 33.360 . 1 499 44 44 HIS N N 119.140 . 1 500 45 45 PRO HA H 3.791 . 1 501 45 45 PRO HB2 H 1.770 . 2 502 45 45 PRO HB3 H 1.401 . 2 503 45 45 PRO HD2 H 4.067 . 2 504 45 45 PRO HD3 H 3.824 . 2 505 45 45 PRO HG2 H 2.103 . 2 506 45 45 PRO HG3 H 2.015 . 2 507 45 45 PRO C C 176.148 . 1 508 45 45 PRO CA C 63.420 . 1 509 45 45 PRO CB C 32.175 . 1 510 45 45 PRO CD C 51.022 . 1 511 45 45 PRO CG C 26.974 . 1 512 46 46 THR H H 6.656 . 1 513 46 46 THR HA H 4.545 . 1 514 46 46 THR HB H 4.346 . 1 515 46 46 THR HG2 H 1.140 . 1 516 46 46 THR C C 173.495 . 1 517 46 46 THR CA C 58.822 . 1 518 46 46 THR CB C 73.033 . 1 519 46 46 THR CG2 C 21.492 . 1 520 46 46 THR N N 104.042 . 1 521 47 47 ALA H H 8.151 . 1 522 47 47 ALA HA H 2.894 . 1 523 47 47 ALA HB H 0.930 . 1 524 47 47 ALA C C 180.112 . 1 525 47 47 ALA CA C 54.390 . 1 526 47 47 ALA CB C 17.496 . 1 527 47 47 ALA N N 125.757 . 1 528 48 48 GLN H H 8.461 . 1 529 48 48 GLN HA H 3.768 . 1 530 48 48 GLN HB2 H 2.081 . 2 531 48 48 GLN HB3 H 1.849 . 2 532 48 48 GLN HE21 H 7.653 . 2 533 48 48 GLN HE22 H 6.840 . 2 534 48 48 GLN HG2 H 2.354 . 2 535 48 48 GLN HG3 H 2.256 . 2 536 48 48 GLN C C 178.097 . 1 537 48 48 GLN CA C 58.804 . 1 538 48 48 GLN CB C 28.015 . 1 539 48 48 GLN CG C 33.568 . 1 540 48 48 GLN N N 117.063 . 1 541 48 48 GLN NE2 N 114.951 . 1 542 49 49 GLU H H 7.524 . 1 543 49 49 GLU HA H 3.978 . 1 544 49 49 GLU HB2 H 2.091 . 2 545 49 49 GLU HB3 H 2.035 . 2 546 49 49 GLU HG2 H 2.270 . 2 547 49 49 GLU HG3 H 2.270 . 2 548 49 49 GLU C C 179.360 . 1 549 49 49 GLU CA C 59.329 . 1 550 49 49 GLU CB C 30.604 . 1 551 49 49 GLU CG C 38.211 . 1 552 49 49 GLU N N 117.639 . 1 553 50 50 ALA H H 7.242 . 1 554 50 50 ALA HA H 3.309 . 1 555 50 50 ALA HB H 1.296 . 1 556 50 50 ALA C C 178.327 . 1 557 50 50 ALA CA C 54.830 . 1 558 50 50 ALA CB C 18.124 . 1 559 50 50 ALA N N 122.230 . 1 560 51 51 MET H H 8.413 . 1 561 51 51 MET HA H 4.009 . 1 562 51 51 MET HB2 H 2.118 . 2 563 51 51 MET HB3 H 2.005 . 2 564 51 51 MET HG2 H 2.534 . 2 565 51 51 MET HG3 H 2.483 . 2 566 51 51 MET C C 179.335 . 1 567 51 51 MET CA C 58.338 . 1 568 51 51 MET CB C 31.692 . 1 569 51 51 MET CG C 32.558 . 1 570 51 51 MET N N 118.809 . 1 571 52 52 ASP H H 8.296 . 1 572 52 52 ASP HA H 4.360 . 1 573 52 52 ASP HB2 H 2.628 . 2 574 52 52 ASP HB3 H 2.571 . 2 575 52 52 ASP C C 178.693 . 1 576 52 52 ASP CA C 57.325 . 1 577 52 52 ASP CB C 40.023 . 1 578 52 52 ASP N N 121.983 . 1 579 53 53 ALA H H 7.678 . 1 580 53 53 ALA HA H 3.992 . 1 581 53 53 ALA HB H 1.239 . 1 582 53 53 ALA C C 180.346 . 1 583 53 53 ALA CA C 54.973 . 1 584 53 53 ALA CB C 18.816 . 1 585 53 53 ALA N N 123.311 . 1 586 54 54 LYS H H 8.562 . 1 587 54 54 LYS HA H 3.732 . 1 588 54 54 LYS HB2 H 2.201 . 2 589 54 54 LYS HB3 H 1.720 . 2 590 54 54 LYS HD2 H 1.713 . 2 591 54 54 LYS HD3 H 1.477 . 2 592 54 54 LYS HE2 H 3.198 . 2 593 54 54 LYS HE3 H 3.133 . 2 594 54 54 LYS HG2 H 1.328 . 2 595 54 54 LYS HG3 H 1.231 . 2 596 54 54 LYS C C 177.115 . 1 597 54 54 LYS CA C 60.349 . 1 598 54 54 LYS CB C 33.299 . 1 599 54 54 LYS CD C 30.548 . 1 600 54 54 LYS CE C 42.218 . 1 601 54 54 LYS CG C 25.007 . 1 602 54 54 LYS N N 123.350 . 1 603 55 55 LYS H H 7.782 . 1 604 55 55 LYS HA H 4.148 . 1 605 55 55 LYS HB2 H 1.949 . 2 606 55 55 LYS HB3 H 1.949 . 2 607 55 55 LYS HD2 H 1.718 . 2 608 55 55 LYS HD3 H 1.718 . 2 609 55 55 LYS HE2 H 2.982 . 2 610 55 55 LYS HE3 H 2.982 . 2 611 55 55 LYS HG2 H 1.596 . 2 612 55 55 LYS HG3 H 1.489 . 2 613 55 55 LYS C C 179.316 . 1 614 55 55 LYS CA C 59.233 . 1 615 55 55 LYS CB C 32.139 . 1 616 55 55 LYS CD C 29.272 . 1 617 55 55 LYS CE C 42.221 . 1 618 55 55 LYS CG C 25.068 . 1 619 55 55 LYS N N 118.557 . 1 620 56 56 ARG H H 7.632 . 1 621 56 56 ARG HA H 4.118 . 1 622 56 56 ARG HB2 H 1.867 . 2 623 56 56 ARG HB3 H 1.869 . 2 624 56 56 ARG HD2 H 3.282 . 2 625 56 56 ARG HD3 H 3.195 . 2 626 56 56 ARG HG2 H 1.603 . 2 627 56 56 ARG HG3 H 1.824 . 2 628 56 56 ARG C C 178.334 . 1 629 56 56 ARG CA C 59.019 . 1 630 56 56 ARG CB C 30.534 . 1 631 56 56 ARG CD C 43.473 . 1 632 56 56 ARG CG C 28.061 . 1 633 56 56 ARG N N 117.044 . 1 634 57 57 TYR H H 8.159 . 1 635 57 57 TYR HA H 4.030 . 1 636 57 57 TYR HB2 H 3.142 . 2 637 57 57 TYR HB3 H 3.050 . 2 638 57 57 TYR HD1 H 6.948 . 3 639 57 57 TYR HD2 H 6.948 . 3 640 57 57 TYR HE1 H 6.684 . 3 641 57 57 TYR HE2 H 6.684 . 3 642 57 57 TYR C C 177.143 . 1 643 57 57 TYR CA C 61.414 . 1 644 57 57 TYR CB C 39.179 . 1 645 57 57 TYR CD1 C 133.373 . 3 646 57 57 TYR CD2 C 133.373 . 3 647 57 57 TYR CE1 C 117.962 . 3 648 57 57 TYR CE2 C 117.962 . 3 649 57 57 TYR N N 119.863 . 1 650 58 58 GLU H H 8.069 . 1 651 58 58 GLU HA H 3.967 . 1 652 58 58 GLU HB2 H 2.145 . 2 653 58 58 GLU HB3 H 2.054 . 2 654 58 58 GLU HG2 H 2.861 . 2 655 58 58 GLU HG3 H 2.518 . 2 656 58 58 GLU C C 176.273 . 1 657 58 58 GLU CA C 57.281 . 1 658 58 58 GLU CB C 30.286 . 1 659 58 58 GLU CG C 37.768 . 1 660 58 58 GLU N N 115.337 . 1 661 59 59 ASP H H 7.487 . 1 662 59 59 ASP HA H 4.857 . 1 663 59 59 ASP HB2 H 2.841 . 2 664 59 59 ASP HB3 H 2.659 . 2 665 59 59 ASP CA C 52.389 . 1 666 59 59 ASP CB C 41.447 . 1 667 59 59 ASP N N 119.922 . 1 668 60 60 PRO HA H 4.393 . 1 669 60 60 PRO HB2 H 2.243 . 2 670 60 60 PRO HB3 H 1.928 . 2 671 60 60 PRO HD2 H 3.770 . 2 672 60 60 PRO HD3 H 3.768 . 2 673 60 60 PRO HG2 H 1.931 . 2 674 60 60 PRO HG3 H 1.931 . 2 675 60 60 PRO C C 177.801 . 1 676 60 60 PRO CA C 63.937 . 1 677 60 60 PRO CB C 32.188 . 1 678 60 60 PRO CD C 50.657 . 1 679 60 60 PRO CG C 27.143 . 1 680 61 61 ASP H H 8.405 . 1 681 61 61 ASP HA H 4.599 . 1 682 61 61 ASP HB2 H 2.732 . 2 683 61 61 ASP HB3 H 2.604 . 2 684 61 61 ASP C C 176.626 . 1 685 61 61 ASP CA C 54.809 . 1 686 61 61 ASP CB C 40.952 . 1 687 61 61 ASP N N 119.041 . 1 688 62 62 LYS H H 7.813 . 1 689 62 62 LYS HA H 4.215 . 1 690 62 62 LYS HB2 H 1.807 . 2 691 62 62 LYS HB3 H 1.807 . 2 692 62 62 LYS HD2 H 1.647 . 2 693 62 62 LYS HD3 H 1.647 . 2 694 62 62 LYS HE2 H 2.966 . 2 695 62 62 LYS HE3 H 2.966 . 2 696 62 62 LYS HG2 H 1.387 . 2 697 62 62 LYS HG3 H 1.387 . 2 698 62 62 LYS C C 176.760 . 1 699 62 62 LYS CA C 56.570 . 1 700 62 62 LYS CB C 32.749 . 1 701 62 62 LYS CD C 28.952 . 1 702 62 62 LYS CE C 42.221 . 1 703 62 62 LYS CG C 24.625 . 1 704 62 62 LYS N N 120.813 . 1 705 63 63 GLU H H 8.386 . 1 706 63 63 GLU HA H 4.187 . 1 707 63 63 GLU HB2 H 2.023 . 2 708 63 63 GLU HB3 H 1.909 . 2 709 63 63 GLU HG2 H 2.208 . 2 710 63 63 GLU HG3 H 2.258 . 2 711 63 63 GLU C C 176.830 . 1 712 63 63 GLU CA C 56.935 . 1 713 63 63 GLU CB C 30.040 . 1 714 63 63 GLU CG C 36.297 . 1 715 63 63 GLU N N 121.390 . 1 716 64 64 LEU H H 8.177 . 1 717 64 64 LEU HA H 4.227 . 1 718 64 64 LEU HB2 H 1.585 . 2 719 64 64 LEU HB3 H 1.463 . 2 720 64 64 LEU HD1 H 0.872 . 1 721 64 64 LEU HD2 H 0.805 . 1 722 64 64 LEU HG H 1.571 . 1 723 64 64 LEU C C 177.599 . 1 724 64 64 LEU CA C 55.400 . 1 725 64 64 LEU CB C 42.235 . 1 726 64 64 LEU CD1 C 25.042 . 1 727 64 64 LEU CD2 C 23.373 . 1 728 64 64 LEU CG C 26.971 . 1 729 64 64 LEU N N 121.903 . 1 730 65 65 GLU H H 8.251 . 1 731 65 65 GLU CA C 56.813 . 1 732 65 65 GLU N N 120.854 . 1 stop_ save_