data_7256 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of protein Hydrogenase-1 operon protein hyaE from Escherichia coli: Northeast Structural Genomics Consortium Target ER415 ; _BMRB_accession_number 7256 _BMRB_flat_file_name bmr7256.str _Entry_type original _Submission_date 2006-08-10 _Accession_date 2006-08-17 _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 Singarapu K. K. . 2 Liu G. . . 3 Eletsky A. . . 4 Parish D. . . 5 Atreya H. S. . 6 Xu D. . . 7 Janjua H. . . 8 Cunningham K. . . 9 Ma L. C. . 10 Xiao . R . 11 Liu J. . . 12 Baran M. . . 13 Swapna G. V.T. . 14 Acton T. B. . 15 Rost B. . . 16 Montelione G. T. . 17 Szyperski T. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 733 "13C chemical shifts" 544 "15N chemical shifts" 119 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-01-23 original author . stop_ _Original_release_date 2007-01-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR structure of protein Hydrogenase-1 operon protein hyaE from Escherichia coli: Northeast Structural Genomics Consortium Target ER415 ; _Citation_status submitted _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 Singarapu K. K. . 2 Liu G. . . 3 Eletsky A. . . 4 Parish D. . . 5 Atreya H. S. . 6 Xu D. . . 7 Janjua H. . . 8 Cunningham K. . . 9 Ma L. C. . 10 Xiao R. . . 11 Liu J. . . 12 Baran M. . . 13 Swapna G. V.T. . 14 Acton T. B. . 15 Montelione G. T. . 16 Szyperski T. . . stop_ _Journal_abbreviation . _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 . loop_ _Keyword ALFA-BETA NESGC 'Northeast Structural Genomics Consortium' 'PROTEIN STRUCTURE' 'Protein Structure Initiative' PSI-2 'Structural Genomics' stop_ save_ ################################## # Molecular system description # ################################## save_system_hyaE _Saveframe_category molecular_system _Mol_system_name 'Hydrogenase-1 operon protein hyaE' _Abbreviation_common hyaE _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Hydrogenase-1 operon protein hyaE' $hyaE stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_hyaE _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Hydrogenase-1 operon protein hyaE' _Name_variant 'Hydrogenase-1 operon protein hyaE' _Abbreviation_common hyaE _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 140 _Mol_residue_sequence ; MSNDTPFDALWQRMLARGWT PVSESRLDDWLTQAPDGVVL LSSDPKRTPEVSDNPVMIGE LLREFPDYTWQVAIADLEQS EAIGDRFGVFRFPATLVFTG GNYRGVLNGIHPWAELINLM RGLVEPQQERASLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 ASN 4 ASP 5 THR 6 PRO 7 PHE 8 ASP 9 ALA 10 LEU 11 TRP 12 GLN 13 ARG 14 MET 15 LEU 16 ALA 17 ARG 18 GLY 19 TRP 20 THR 21 PRO 22 VAL 23 SER 24 GLU 25 SER 26 ARG 27 LEU 28 ASP 29 ASP 30 TRP 31 LEU 32 THR 33 GLN 34 ALA 35 PRO 36 ASP 37 GLY 38 VAL 39 VAL 40 LEU 41 LEU 42 SER 43 SER 44 ASP 45 PRO 46 LYS 47 ARG 48 THR 49 PRO 50 GLU 51 VAL 52 SER 53 ASP 54 ASN 55 PRO 56 VAL 57 MET 58 ILE 59 GLY 60 GLU 61 LEU 62 LEU 63 ARG 64 GLU 65 PHE 66 PRO 67 ASP 68 TYR 69 THR 70 TRP 71 GLN 72 VAL 73 ALA 74 ILE 75 ALA 76 ASP 77 LEU 78 GLU 79 GLN 80 SER 81 GLU 82 ALA 83 ILE 84 GLY 85 ASP 86 ARG 87 PHE 88 GLY 89 VAL 90 PHE 91 ARG 92 PHE 93 PRO 94 ALA 95 THR 96 LEU 97 VAL 98 PHE 99 THR 100 GLY 101 GLY 102 ASN 103 TYR 104 ARG 105 GLY 106 VAL 107 LEU 108 ASN 109 GLY 110 ILE 111 HIS 112 PRO 113 TRP 114 ALA 115 GLU 116 LEU 117 ILE 118 ASN 119 LEU 120 MET 121 ARG 122 GLY 123 LEU 124 VAL 125 GLU 126 PRO 127 GLN 128 GLN 129 GLU 130 ARG 131 ALA 132 SER 133 LEU 134 GLU 135 HIS 136 HIS 137 HIS 138 HIS 139 HIS 140 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 2HFD "Nmr Structure Of Protein Hydrogenase-1 Operon Protein Hyae From Escherichia Coli: Northeast Structural Genomics Consortium Targ" 100.00 140 100.00 100.00 1.81e-97 DBJ BAA35741 "protein involved in processing of HyaA and HyaB proteins [Escherichia coli str. K-12 substr. W3110]" 94.29 132 100.00 100.00 1.97e-90 DBJ BAB34555 "hydrogenase 1 formation factor HyaE [Escherichia coli O157:H7 str. Sakai]" 94.29 132 99.24 99.24 2.90e-89 DBJ BAG76562 "hydrogenase 1 maturation protease HyaE [Escherichia coli SE11]" 94.29 132 100.00 100.00 1.97e-90 DBJ BAI24832 "HyaE protein [Escherichia coli O26:H11 str. 11368]" 94.29 132 98.48 99.24 2.63e-89 DBJ BAI29868 "HyaE protein [Escherichia coli O103:H2 str. 12009]" 94.29 132 99.24 99.24 1.18e-89 EMBL CAP75438 "hydrogenase-1 operon protein hyae [Escherichia coli LF82]" 94.29 132 99.24 99.24 6.56e-90 EMBL CAQ31503 "protein involved in quality control of HyaA [Escherichia coli BL21(DE3)]" 94.29 132 100.00 100.00 1.97e-90 EMBL CAQ88643 "protein involved in processing of HyaA and HyaB proteins [Escherichia fergusonii ATCC 35469]" 94.29 132 98.48 100.00 1.29e-89 EMBL CAQ97881 "protein involved in processing of HyaA and HyaB proteins [Escherichia coli IAI1]" 94.29 132 100.00 100.00 1.97e-90 EMBL CAR02329 "protein involved in processing of HyaA and HyaB proteins [Escherichia coli S88]" 94.29 132 98.48 99.24 2.11e-89 GB AAA24001 "hyaE protein [Escherichia coli]" 94.29 132 100.00 100.00 1.97e-90 GB AAC74061 "putative HyaA chaperone [Escherichia coli str. K-12 substr. MG1655]" 94.29 132 100.00 100.00 1.97e-90 GB AAG55524 "processing of HyaA and HyaB proteins [Escherichia coli O157:H7 str. EDL933]" 94.29 132 99.24 99.24 2.90e-89 GB AAN42605 "Hydrogenase-1 operon protein hyaE [Shigella flexneri 2a str. 301]" 94.29 132 98.48 98.48 1.01e-88 GB AAN79585 "Hydrogenase-1 operon protein hyaE [Escherichia coli CFT073]" 94.29 132 98.48 99.24 2.11e-89 REF NP_286913 "hydrogenase-1 operon protein HyaE [Escherichia coli O157:H7 str. EDL933]" 94.29 132 99.24 99.24 2.90e-89 REF NP_309159 "hydrogenase-1 operon protein HyaE [Escherichia coli O157:H7 str. Sakai]" 94.29 132 99.24 99.24 2.90e-89 REF NP_415495 "putative HyaA chaperone [Escherichia coli str. K-12 substr. MG1655]" 94.29 132 100.00 100.00 1.97e-90 REF NP_706898 "hydrogenase-1 operon protein HyaE [Shigella flexneri 2a str. 301]" 94.29 132 98.48 98.48 1.01e-88 REF NP_753042 "hydrogenase-1 operon protein HyaE [Escherichia coli CFT073]" 94.29 132 98.48 99.24 2.11e-89 SP P19931 "RecName: Full=Hydrogenase-1 operon protein HyaE [Escherichia coli K-12]" 94.29 132 100.00 100.00 1.97e-90 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $hyaE 'E. coli' 562 Eubacteria . 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 $hyaE 'recombinant technology' 'E. coli' Escherichia coli . . 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 $hyaE 0.6 mM '[U-13C; U-15N]' NaN3 0.02 % . DTT 100 mM . CaCl2 5 mM . NaCl 100 mM . MES 20 mM . H2O 95 % . D2O 5 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRPipe _Version 2004.061.12.44 loop_ _Task processing stop_ _Details 'Delaglio et al' save_ save_software_2 _Saveframe_category software _Name DYANA _Version 1.5 loop_ _Task 'data analysis' stop_ _Details 'GUNTERT et al' save_ save_software_3 _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Task 'data analysis' refinement stop_ _Details 'GUNTERT et al' save_ save_software_4 _Saveframe_category software _Name AutoStruct _Version 2.0.0 loop_ _Task 'data analysis' stop_ _Details 'HUANG et al' save_ save_software_5 _Saveframe_category software _Name AutoStruct _Version 2.0.0 loop_ _Task 'data analysis' stop_ _Details 'HUANG et al' save_ save_software_6 _Saveframe_category software _Name CNS _Version 1.1 loop_ _Task refinement stop_ _Details 'BRUNGER et al' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_CBCACONH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCACONH' _Sample_label . save_ save_3D_HBHACONH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHACONH' _Sample_label . save_ save_3D_HCCH_COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH COSY' _Sample_label . save_ save_3D_13C-separated_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_3D_15N-separated_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_3D_aro_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D aro NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCACONH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHACONH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D aro NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Hydrogenase-1 operon protein hyaE' _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 . 3 ASN CA C 53.2 . 1 2 . 3 ASN HA H 4.76 . 1 3 . 3 ASN CB C 39.7 . 1 4 . 3 ASN HB2 H 2.84 . 2 5 . 3 ASN HB3 H 2.70 . 2 6 . 3 ASN C C 174.6 . 1 7 . 4 ASP N N 119.9 . 1 8 . 4 ASP H H 8.45 . 1 9 . 4 ASP CA C 54.2 . 1 10 . 4 ASP HA H 4.72 . 1 11 . 4 ASP CB C 41.1 . 1 12 . 4 ASP HB2 H 2.63 . 2 13 . 4 ASP HB3 H 2.71 . 2 14 . 4 ASP C C 176.3 . 1 15 . 5 THR N N 114.2 . 1 16 . 5 THR H H 8.45 . 1 17 . 5 THR CA C 60.1 . 1 18 . 5 THR HA H 4.77 . 1 19 . 5 THR CB C 69.4 . 1 20 . 5 THR HB H 4.51 . 1 21 . 5 THR HG2 H 1.31 . 1 22 . 5 THR CG2 C 21.6 . 1 23 . 6 PRO CD C 50.5 . 1 24 . 6 PRO CA C 64.7 . 1 25 . 6 PRO HA H 4.50 . 1 26 . 6 PRO CB C 32.0 . 1 27 . 6 PRO HB2 H 2.48 . 2 28 . 6 PRO HB3 H 1.98 . 2 29 . 6 PRO CG C 27.7 . 1 30 . 6 PRO HG2 H 2.11 . 1 31 . 6 PRO HG3 H 2.11 . 1 32 . 6 PRO HD2 H 3.94 . 1 33 . 6 PRO HD3 H 3.94 . 1 34 . 6 PRO C C 179.4 . 1 35 . 7 PHE N N 119.4 . 1 36 . 7 PHE H H 9.46 . 1 37 . 7 PHE CA C 62.3 . 1 38 . 7 PHE HA H 4.17 . 1 39 . 7 PHE CB C 39.0 . 1 40 . 7 PHE HB2 H 3.22 . 2 41 . 7 PHE HB3 H 3.01 . 2 42 . 7 PHE HD1 H 7.16 . 1 43 . 7 PHE HD2 H 7.16 . 1 44 . 7 PHE HE1 H 7.08 . 1 45 . 7 PHE HE2 H 7.08 . 1 46 . 7 PHE CD1 C 130.9 . 1 47 . 7 PHE CE1 C 129.7 . 1 48 . 7 PHE CZ C 127.9 . 1 49 . 7 PHE HZ H 7.28 . 1 50 . 7 PHE C C 175.8 . 1 51 . 8 ASP N N 117.9 . 1 52 . 8 ASP H H 8.09 . 1 53 . 8 ASP CA C 58.0 . 1 54 . 8 ASP HA H 4.31 . 1 55 . 8 ASP CB C 40.5 . 1 56 . 8 ASP HB2 H 2.83 . 2 57 . 8 ASP HB3 H 2.72 . 2 58 . 8 ASP C C 178.4 . 1 59 . 9 ALA N N 120.5 . 1 60 . 9 ALA H H 7.62 . 1 61 . 9 ALA CA C 54.7 . 1 62 . 9 ALA HA H 4.16 . 1 63 . 9 ALA HB H 1.47 . 1 64 . 9 ALA CB C 18.1 . 1 65 . 9 ALA C C 180.2 . 1 66 . 10 LEU N N 121.0 . 1 67 . 10 LEU H H 7.32 . 1 68 . 10 LEU CA C 57.7 . 1 69 . 10 LEU HA H 3.98 . 1 70 . 10 LEU CB C 41.8 . 1 71 . 10 LEU HB2 H 1.85 . 2 72 . 10 LEU HB3 H 1.59 . 2 73 . 10 LEU CG C 27.3 . 1 74 . 10 LEU HG H 1.60 . 1 75 . 10 LEU HD1 H 1.11 . 2 76 . 10 LEU HD2 H 1.09 . 2 77 . 10 LEU CD1 C 23.8 . 1 78 . 10 LEU CD2 C 26.4 . 1 79 . 10 LEU C C 177.9 . 1 80 . 11 TRP N N 120.7 . 1 81 . 11 TRP H H 8.88 . 1 82 . 11 TRP CA C 60.3 . 1 83 . 11 TRP HA H 3.98 . 1 84 . 11 TRP CB C 29.7 . 1 85 . 11 TRP HB2 H 2.64 . 2 86 . 11 TRP HB3 H 3.21 . 2 87 . 11 TRP CD1 C 126.2 . 1 88 . 11 TRP NE1 N 129.1 . 1 89 . 11 TRP HD1 H 7.17 . 1 90 . 11 TRP CZ3 C 120.0 . 1 91 . 11 TRP CZ2 C 113.0 . 1 92 . 11 TRP HE1 H 10.36 . 1 93 . 11 TRP HZ3 H 7.14 . 1 94 . 11 TRP CH2 C 123.8 . 1 95 . 11 TRP HZ2 H 7.50 . 1 96 . 11 TRP HH2 H 7.17 . 1 97 . 11 TRP C C 177.8 . 1 98 . 12 GLN N N 113.8 . 1 99 . 12 GLN H H 7.99 . 1 100 . 12 GLN CA C 58.7 . 1 101 . 12 GLN HA H 3.81 . 1 102 . 12 GLN CB C 27.9 . 1 103 . 12 GLN HB2 H 2.16 . 2 104 . 12 GLN HB3 H 2.13 . 2 105 . 12 GLN CG C 33.6 . 1 106 . 12 GLN HG2 H 2.60 . 2 107 . 12 GLN HG3 H 2.61 . 2 108 . 12 GLN NE2 N 112.8 . 1 109 . 12 GLN HE21 H 7.71 . 2 110 . 12 GLN HE22 H 6.93 . 2 111 . 12 GLN C C 179.4 . 1 112 . 13 ARG N N 119.2 . 1 113 . 13 ARG H H 7.64 . 1 114 . 13 ARG CA C 59.3 . 1 115 . 13 ARG HA H 3.94 . 1 116 . 13 ARG CB C 30.0 . 1 117 . 13 ARG HB2 H 2.01 . 2 118 . 13 ARG HB3 H 1.77 . 2 119 . 13 ARG CG C 27.6 . 1 120 . 13 ARG HG2 H 1.87 . 2 121 . 13 ARG HG3 H 1.54 . 2 122 . 13 ARG CD C 43.8 . 1 123 . 13 ARG HD2 H 3.10 . 2 124 . 13 ARG HD3 H 3.21 . 2 125 . 13 ARG C C 179.2 . 1 126 . 14 MET N N 119.4 . 1 127 . 14 MET H H 7.98 . 1 128 . 14 MET CA C 60.3 . 1 129 . 14 MET HA H 3.44 . 1 130 . 14 MET CB C 34.0 . 1 131 . 14 MET HB2 H 2.15 . 2 132 . 14 MET HB3 H 1.92 . 2 133 . 14 MET CG C 31.9 . 1 134 . 14 MET HG2 H 1.98 . 1 135 . 14 MET HG3 H 1.98 . 1 136 . 14 MET HE H 2.18 . 1 137 . 14 MET CE C 16.0 . 1 138 . 14 MET C C 178.2 . 1 139 . 15 LEU N N 119.7 . 1 140 . 15 LEU H H 8.30 . 1 141 . 15 LEU CA C 57.3 . 1 142 . 15 LEU HA H 3.81 . 1 143 . 15 LEU CB C 41.5 . 1 144 . 15 LEU HB2 H 1.24 . 2 145 . 15 LEU HB3 H 1.61 . 2 146 . 15 LEU CG C 25.6 . 1 147 . 15 LEU HG H 0.95 . 1 148 . 15 LEU HD1 H 0.67 . 2 149 . 15 LEU HD2 H 0.55 . 2 150 . 15 LEU CD1 C 25.7 . 1 151 . 15 LEU CD2 C 22.5 . 1 152 . 15 LEU C C 182.0 . 1 153 . 16 ALA N N 120.9 . 1 154 . 16 ALA H H 7.70 . 1 155 . 16 ALA CA C 53.9 . 1 156 . 16 ALA HA H 4.06 . 1 157 . 16 ALA HB H 1.38 . 1 158 . 16 ALA CB C 17.7 . 1 159 . 16 ALA C C 178.7 . 1 160 . 17 ARG N N 115.4 . 1 161 . 17 ARG H H 6.82 . 1 162 . 17 ARG CA C 55.8 . 1 163 . 17 ARG HA H 3.94 . 1 164 . 17 ARG CB C 28.4 . 1 165 . 17 ARG HB2 H 0.54 . 2 166 . 17 ARG HB3 H 0.84 . 2 167 . 17 ARG CG C 26.6 . 1 168 . 17 ARG HG2 H 0.98 . 2 169 . 17 ARG HG3 H 1.03 . 2 170 . 17 ARG CD C 42.1 . 1 171 . 17 ARG HD2 H 1.92 . 2 172 . 17 ARG HD3 H 1.77 . 2 173 . 17 ARG C C 176.4 . 1 174 . 18 GLY N N 106.2 . 1 175 . 18 GLY H H 8.00 . 1 176 . 18 GLY CA C 44.7 . 1 177 . 18 GLY HA2 H 3.76 . 2 178 . 18 GLY HA3 H 4.23 . 2 179 . 18 GLY C C 174.1 . 1 180 . 19 TRP N N 122.4 . 1 181 . 19 TRP H H 6.67 . 1 182 . 19 TRP CA C 55.0 . 1 183 . 19 TRP HA H 5.02 . 1 184 . 19 TRP CB C 29.6 . 1 185 . 19 TRP HB2 H 2.83 . 2 186 . 19 TRP HB3 H 2.66 . 2 187 . 19 TRP CD1 C 124.4 . 1 188 . 19 TRP CE3 C 120.3 . 1 189 . 19 TRP NE1 N 128.0 . 1 190 . 19 TRP HD1 H 6.85 . 1 191 . 19 TRP HE3 H 6.70 . 1 192 . 19 TRP CZ3 C 120.3 . 1 193 . 19 TRP CZ2 C 112.4 . 1 194 . 19 TRP HE1 H 10.10 . 1 195 . 19 TRP HZ3 H 7.30 . 1 196 . 19 TRP CH2 C 122.9 . 1 197 . 19 TRP HZ2 H 7.31 . 1 198 . 19 TRP HH2 H 7.30 . 1 199 . 19 TRP C C 175.8 . 1 200 . 20 THR N N 118.4 . 1 201 . 20 THR H H 8.16 . 1 202 . 20 THR CA C 61.7 . 1 203 . 20 THR HA H 4.52 . 1 204 . 20 THR CB C 71.4 . 1 205 . 20 THR HB H 3.85 . 1 206 . 20 THR HG2 H 1.20 . 1 207 . 20 THR CG2 C 21.0 . 1 208 . 21 PRO CD C 50.8 . 1 209 . 21 PRO CA C 62.2 . 1 210 . 21 PRO HA H 5.15 . 1 211 . 21 PRO CB C 32.4 . 1 212 . 21 PRO HB2 H 1.79 . 2 213 . 21 PRO HB3 H 2.47 . 2 214 . 21 PRO CG C 27.1 . 1 215 . 21 PRO HG2 H 2.51 . 2 216 . 21 PRO HG3 H 2.31 . 2 217 . 21 PRO HD2 H 3.75 . 1 218 . 21 PRO HD3 H 3.75 . 1 219 . 21 PRO C C 177.7 . 1 220 . 22 VAL N N 119.4 . 1 221 . 22 VAL H H 8.77 . 1 222 . 22 VAL CA C 59.3 . 1 223 . 22 VAL HA H 4.55 . 1 224 . 22 VAL CB C 35.8 . 1 225 . 22 VAL HB H 1.55 . 1 226 . 22 VAL HG1 H 0.28 . 2 227 . 22 VAL HG2 H 0.50 . 2 228 . 22 VAL CG1 C 20.5 . 1 229 . 22 VAL CG2 C 19.5 . 1 230 . 22 VAL C C 173.0 . 1 231 . 23 SER N N 114.3 . 1 232 . 23 SER H H 6.88 . 1 233 . 23 SER CA C 59.6 . 1 234 . 23 SER HA H 4.73 . 1 235 . 23 SER CB C 65.8 . 1 236 . 23 SER HB2 H 3.80 . 2 237 . 23 SER HB3 H 4.03 . 2 238 . 23 SER C C 174.7 . 1 239 . 24 GLU N N 122.0 . 1 240 . 24 GLU H H 9.17 . 1 241 . 24 GLU CA C 61.6 . 1 242 . 24 GLU HA H 3.75 . 1 243 . 24 GLU CB C 28.6 . 1 244 . 24 GLU HB2 H 2.40 . 2 245 . 24 GLU HB3 H 1.89 . 2 246 . 24 GLU CG C 36.4 . 1 247 . 24 GLU HG2 H 2.08 . 2 248 . 24 GLU HG3 H 2.29 . 2 249 . 24 GLU C C 178.6 . 1 250 . 25 SER N N 111.2 . 1 251 . 25 SER H H 8.57 . 1 252 . 25 SER CA C 60.5 . 1 253 . 25 SER HA H 4.15 . 1 254 . 25 SER CB C 62.7 . 1 255 . 25 SER HB2 H 3.91 . 2 256 . 25 SER HB3 H 3.96 . 2 257 . 25 SER C C 175.7 . 1 258 . 26 ARG N N 119.0 . 1 259 . 26 ARG H H 7.26 . 1 260 . 26 ARG CA C 55.0 . 1 261 . 26 ARG HA H 4.76 . 1 262 . 26 ARG CB C 30.9 . 1 263 . 26 ARG HB2 H 1.64 . 2 264 . 26 ARG HB3 H 2.26 . 2 265 . 26 ARG CG C 27.1 . 1 266 . 26 ARG HG2 H 1.68 . 2 267 . 26 ARG HG3 H 1.67 . 2 268 . 26 ARG CD C 43.0 . 1 269 . 26 ARG HD2 H 3.26 . 1 270 . 26 ARG HD3 H 3.26 . 1 271 . 26 ARG C C 176.7 . 1 272 . 27 LEU N N 124.6 . 1 273 . 27 LEU H H 7.54 . 1 274 . 27 LEU CA C 58.8 . 1 275 . 27 LEU HA H 4.02 . 1 276 . 27 LEU CB C 41.8 . 1 277 . 27 LEU HB2 H 1.94 . 2 278 . 27 LEU HB3 H 1.66 . 2 279 . 27 LEU CG C 26.6 . 1 280 . 27 LEU HG H 1.70 . 1 281 . 27 LEU HD1 H 1.05 . 2 282 . 27 LEU HD2 H 0.84 . 2 283 . 27 LEU CD1 C 26.7 . 1 284 . 27 LEU CD2 C 23.8 . 1 285 . 27 LEU C C 177.5 . 1 286 . 28 ASP N N 118.2 . 1 287 . 28 ASP H H 8.92 . 1 288 . 28 ASP CA C 57.9 . 1 289 . 28 ASP HA H 4.34 . 1 290 . 28 ASP CB C 39.3 . 1 291 . 28 ASP HB2 H 2.61 . 2 292 . 28 ASP HB3 H 2.70 . 2 293 . 28 ASP C C 179.1 . 1 294 . 29 ASP N N 119.9 . 1 295 . 29 ASP H H 8.04 . 1 296 . 29 ASP CA C 57.0 . 1 297 . 29 ASP HA H 4.37 . 1 298 . 29 ASP CB C 40.6 . 1 299 . 29 ASP HB2 H 2.79 . 2 300 . 29 ASP HB3 H 2.70 . 2 301 . 29 ASP C C 172.6 . 1 302 . 30 TRP N N 118.4 . 1 303 . 30 TRP H H 8.35 . 1 304 . 30 TRP CA C 57.7 . 1 305 . 30 TRP HA H 4.31 . 1 306 . 30 TRP CB C 30.2 . 1 307 . 30 TRP HB2 H 3.22 . 2 308 . 30 TRP HB3 H 3.18 . 2 309 . 30 TRP CD1 C 126.2 . 1 310 . 30 TRP HD1 H 6.97 . 1 311 . 30 TRP C C 178.4 . 1 312 . 31 LEU N N 118.2 . 1 313 . 31 LEU H H 8.58 . 1 314 . 31 LEU CA C 56.8 . 1 315 . 31 LEU HA H 3.41 . 1 316 . 31 LEU CB C 41.7 . 1 317 . 31 LEU HB2 H 1.14 . 2 318 . 31 LEU HB3 H 1.73 . 2 319 . 31 LEU CG C 26.6 . 1 320 . 31 LEU HG H 1.64 . 1 321 . 31 LEU HD1 H 0.55 . 2 322 . 31 LEU HD2 H 0.00 . 2 323 . 31 LEU CD1 C 25.7 . 1 324 . 31 LEU CD2 C 21.4 . 1 325 . 31 LEU C C 179.7 . 1 326 . 32 THR N N 111.7 . 1 327 . 32 THR H H 7.55 . 1 328 . 32 THR CA C 65.4 . 1 329 . 32 THR HA H 3.90 . 1 330 . 32 THR CB C 69.0 . 1 331 . 32 THR HB H 4.22 . 1 332 . 32 THR HG2 H 1.28 . 1 333 . 32 THR CG2 C 21.7 . 1 334 . 32 THR C C 175.2 . 1 335 . 33 GLN N N 116.9 . 1 336 . 33 GLN H H 6.99 . 1 337 . 33 GLN CA C 54.5 . 1 338 . 33 GLN HA H 4.34 . 1 339 . 33 GLN CB C 29.2 . 1 340 . 33 GLN HB2 H 2.11 . 2 341 . 33 GLN HB3 H 1.98 . 2 342 . 33 GLN CG C 33.0 . 1 343 . 33 GLN HG2 H 2.23 . 2 344 . 33 GLN HG3 H 2.32 . 2 345 . 34 ALA CA C 49.2 . 1 346 . 34 ALA HA H 4.41 . 1 347 . 34 ALA HB H -0.20 . 1 348 . 34 ALA CB C 17.5 . 1 349 . 35 PRO CD C 50.4 . 1 350 . 35 PRO CA C 64.0 . 1 351 . 35 PRO HA H 4.41 . 1 352 . 35 PRO CB C 31.5 . 1 353 . 35 PRO HB2 H 1.80 . 2 354 . 35 PRO HB3 H 2.00 . 2 355 . 35 PRO CG C 27.3 . 1 356 . 35 PRO HG2 H 1.93 . 2 357 . 35 PRO HG3 H 1.90 . 2 358 . 35 PRO HD2 H 3.64 . 2 359 . 35 PRO HD3 H 3.63 . 2 360 . 35 PRO C C 177.2 . 1 361 . 36 ASP N N 114.4 . 1 362 . 36 ASP H H 7.44 . 1 363 . 36 ASP CA C 51.2 . 1 364 . 36 ASP HA H 5.39 . 1 365 . 36 ASP CB C 40.5 . 1 366 . 36 ASP HB2 H 1.61 . 2 367 . 36 ASP HB3 H 2.33 . 2 368 . 36 ASP C C 175.1 . 1 369 . 37 GLY N N 111.9 . 1 370 . 37 GLY H H 9.40 . 1 371 . 37 GLY CA C 45.3 . 1 372 . 37 GLY HA2 H 3.02 . 2 373 . 37 GLY HA3 H 3.00 . 2 374 . 37 GLY C C 180.0 . 1 375 . 38 VAL N N 110.9 . 1 376 . 38 VAL H H 8.39 . 1 377 . 38 VAL CA C 57.5 . 1 378 . 38 VAL HA H 5.97 . 1 379 . 38 VAL CB C 34.5 . 1 380 . 38 VAL HB H 1.85 . 1 381 . 38 VAL HG1 H 0.54 . 2 382 . 38 VAL HG2 H 0.57 . 2 383 . 38 VAL CG1 C 20.3 . 1 384 . 38 VAL CG2 C 22.6 . 1 385 . 38 VAL C C 174.4 . 1 386 . 39 VAL N N 119.1 . 1 387 . 39 VAL H H 8.54 . 1 388 . 39 VAL CA C 59.8 . 1 389 . 39 VAL HA H 4.63 . 1 390 . 39 VAL CB C 34.1 . 1 391 . 39 VAL HB H 1.85 . 1 392 . 39 VAL HG1 H 0.75 . 2 393 . 39 VAL HG2 H 0.46 . 2 394 . 39 VAL CG1 C 21.2 . 1 395 . 39 VAL CG2 C 20.4 . 1 396 . 39 VAL C C 175.2 . 1 397 . 40 LEU N N 127.9 . 1 398 . 40 LEU H H 8.76 . 1 399 . 40 LEU CA C 56.6 . 1 400 . 40 LEU HA H 4.65 . 1 401 . 40 LEU CB C 41.3 . 1 402 . 40 LEU HB2 H 1.78 . 2 403 . 40 LEU HB3 H 1.70 . 2 404 . 40 LEU CG C 29.0 . 1 405 . 40 LEU HG H 1.58 . 1 406 . 40 LEU HD1 H 0.75 . 2 407 . 40 LEU HD2 H 0.55 . 2 408 . 40 LEU CD1 C 26.2 . 1 409 . 40 LEU CD2 C 26.0 . 1 410 . 40 LEU C C 176.3 . 1 411 . 41 LEU N N 124.3 . 1 412 . 41 LEU H H 9.26 . 1 413 . 41 LEU CA C 53.5 . 1 414 . 41 LEU HA H 4.63 . 1 415 . 41 LEU CB C 42.4 . 1 416 . 41 LEU HB2 H 1.96 . 2 417 . 41 LEU HB3 H 1.57 . 2 418 . 41 LEU CG C 26.7 . 1 419 . 41 LEU HG H 1.69 . 1 420 . 41 LEU HD1 H 0.64 . 2 421 . 41 LEU HD2 H 0.78 . 2 422 . 41 LEU CD1 C 23.8 . 1 423 . 41 LEU CD2 C 25.3 . 1 424 . 45 PRO CD C 50.3 . 1 425 . 45 PRO CA C 63.6 . 1 426 . 45 PRO HA H 4.60 . 1 427 . 45 PRO CB C 32.0 . 1 428 . 45 PRO HB2 H 2.36 . 2 429 . 45 PRO HB3 H 2.12 . 2 430 . 45 PRO CG C 27.2 . 1 431 . 45 PRO HG2 H 1.98 . 1 432 . 45 PRO HG3 H 1.98 . 1 433 . 45 PRO HD2 H 3.57 . 1 434 . 45 PRO HD3 H 3.57 . 1 435 . 45 PRO C C 177.1 . 1 436 . 46 LYS N N 117.9 . 1 437 . 46 LYS H H 8.50 . 1 438 . 46 LYS CA C 58.5 . 1 439 . 46 LYS HA H 4.08 . 1 440 . 46 LYS CB C 32.2 . 1 441 . 46 LYS HB2 H 1.84 . 2 442 . 46 LYS HB3 H 1.86 . 2 443 . 46 LYS CG C 25.0 . 1 444 . 46 LYS HG2 H 1.54 . 2 445 . 46 LYS HG3 H 1.45 . 2 446 . 46 LYS CD C 28.9 . 1 447 . 46 LYS HD2 H 1.76 . 1 448 . 46 LYS HD3 H 1.76 . 1 449 . 46 LYS CE C 41.7 . 1 450 . 46 LYS HE2 H 3.02 . 1 451 . 46 LYS HE3 H 3.02 . 1 452 . 46 LYS C C 177.8 . 1 453 . 47 ARG N N 115.4 . 1 454 . 47 ARG H H 7.29 . 1 455 . 47 ARG CA C 56.5 . 1 456 . 47 ARG HA H 4.41 . 1 457 . 47 ARG CB C 31.5 . 1 458 . 47 ARG HB2 H 2.02 . 2 459 . 47 ARG HB3 H 1.88 . 2 460 . 47 ARG CG C 27.4 . 1 461 . 47 ARG HG2 H 1.68 . 1 462 . 47 ARG HG3 H 1.68 . 1 463 . 47 ARG CD C 43.1 . 1 464 . 47 ARG HD2 H 3.25 . 1 465 . 47 ARG HD3 H 3.25 . 1 466 . 47 ARG C C 176.6 . 1 467 . 48 THR N N 112.9 . 1 468 . 48 THR H H 7.63 . 1 469 . 48 THR CA C 58.3 . 1 470 . 48 THR HA H 4.76 . 1 471 . 48 THR CB C 69.5 . 1 472 . 48 THR HB H 4.01 . 1 473 . 48 THR HG2 H 1.28 . 1 474 . 48 THR CG2 C 22.2 . 1 475 . 49 PRO CD C 50.6 . 1 476 . 49 PRO CA C 63.3 . 1 477 . 49 PRO HA H 4.26 . 1 478 . 49 PRO CB C 31.8 . 1 479 . 49 PRO HB2 H 2.05 . 1 480 . 49 PRO HB3 H 2.05 . 1 481 . 49 PRO CG C 27.1 . 1 482 . 49 PRO HG2 H 1.84 . 1 483 . 49 PRO HG3 H 1.84 . 1 484 . 49 PRO HD2 H 3.28 . 2 485 . 49 PRO HD3 H 3.83 . 2 486 . 49 PRO C C 178.6 . 1 487 . 50 GLU N N 118.4 . 1 488 . 50 GLU H H 9.88 . 1 489 . 50 GLU CA C 57.4 . 1 490 . 50 GLU HA H 4.34 . 1 491 . 50 GLU CB C 29.4 . 1 492 . 50 GLU HB2 H 2.07 . 1 493 . 50 GLU HB3 H 2.07 . 1 494 . 50 GLU CG C 36.4 . 1 495 . 50 GLU HG2 H 2.34 . 1 496 . 50 GLU HG3 H 2.34 . 1 497 . 50 GLU C C 178.5 . 1 498 . 51 VAL N N 119.9 . 1 499 . 51 VAL H H 8.18 . 1 500 . 51 VAL CA C 65.9 . 1 501 . 51 VAL HA H 3.70 . 1 502 . 51 VAL CB C 32.4 . 1 503 . 51 VAL HB H 2.15 . 1 504 . 51 VAL HG1 H 1.20 . 2 505 . 51 VAL HG2 H 1.31 . 2 506 . 51 VAL CG1 C 23.3 . 1 507 . 51 VAL CG2 C 20.9 . 1 508 . 51 VAL C C 177.5 . 1 509 . 52 SER N N 113.7 . 1 510 . 52 SER H H 7.87 . 1 511 . 52 SER CA C 60.7 . 1 512 . 52 SER HA H 4.35 . 1 513 . 52 SER CB C 62.9 . 1 514 . 52 SER HB2 H 3.96 . 2 515 . 52 SER HB3 H 3.93 . 2 516 . 52 SER C C 174.6 . 1 517 . 53 ASP N N 118.6 . 1 518 . 53 ASP H H 7.53 . 1 519 . 53 ASP CB C 41.5 . 1 520 . 53 ASP HB2 H 2.68 . 2 521 . 53 ASP HB3 H 2.79 . 2 522 . 55 PRO CD C 50.3 . 1 523 . 55 PRO CA C 63.3 . 1 524 . 55 PRO HA H 4.42 . 1 525 . 55 PRO CB C 31.5 . 1 526 . 55 PRO HB2 H 2.03 . 1 527 . 55 PRO HB3 H 2.03 . 1 528 . 55 PRO CG C 27.1 . 1 529 . 55 PRO HG2 H 1.93 . 2 530 . 55 PRO HG3 H 1.92 . 2 531 . 55 PRO HD2 H 3.64 . 2 532 . 55 PRO HD3 H 3.63 . 2 533 . 55 PRO C C 177.8 . 1 534 . 56 VAL N N 115.1 . 1 535 . 56 VAL H H 7.00 . 1 536 . 56 VAL CA C 65.1 . 1 537 . 56 VAL HA H 3.74 . 1 538 . 56 VAL CB C 31.8 . 1 539 . 56 VAL HB H 2.15 . 1 540 . 56 VAL HG1 H 0.95 . 2 541 . 56 VAL HG2 H 1.02 . 2 542 . 56 VAL CG1 C 20.8 . 1 543 . 56 VAL CG2 C 22.2 . 1 544 . 56 VAL C C 178.4 . 1 545 . 57 MET N N 119.2 . 1 546 . 57 MET H H 7.69 . 1 547 . 57 MET CA C 58.8 . 1 548 . 57 MET HA H 4.29 . 1 549 . 57 MET CB C 33.0 . 1 550 . 57 MET HB2 H 2.25 . 1 551 . 57 MET HB3 H 2.25 . 1 552 . 57 MET CG C 32.6 . 1 553 . 57 MET HG2 H 2.86 . 2 554 . 57 MET HG3 H 2.51 . 2 555 . 57 MET HE H 2.27 . 1 556 . 57 MET CE C 17.3 . 1 557 . 57 MET C C 178.4 . 1 558 . 58 ILE N N 118.2 . 1 559 . 58 ILE H H 8.59 . 1 560 . 58 ILE CA C 61.2 . 1 561 . 58 ILE HA H 3.85 . 1 562 . 58 ILE CB C 34.7 . 1 563 . 58 ILE HB H 1.99 . 1 564 . 58 ILE HG2 H 0.56 . 1 565 . 58 ILE CG2 C 17.4 . 1 566 . 58 ILE CG1 C 26.5 . 1 567 . 58 ILE HG12 H 1.22 . 2 568 . 58 ILE HG13 H 1.73 . 2 569 . 58 ILE HD1 H 0.56 . 1 570 . 58 ILE CD1 C 9.0 . 1 571 . 58 ILE C C 177.9 . 1 572 . 59 GLY N N 105.5 . 1 573 . 59 GLY H H 8.33 . 1 574 . 59 GLY CA C 47.2 . 1 575 . 59 GLY HA2 H 3.83 . 2 576 . 59 GLY HA3 H 4.11 . 2 577 . 59 GLY C C 176.7 . 1 578 . 60 GLU N N 118.4 . 1 579 . 60 GLU H H 7.67 . 1 580 . 60 GLU CA C 58.7 . 1 581 . 60 GLU HA H 4.24 . 1 582 . 60 GLU CB C 29.4 . 1 583 . 60 GLU HB2 H 2.19 . 2 584 . 60 GLU HB3 H 2.10 . 2 585 . 60 GLU CG C 36.1 . 1 586 . 60 GLU HG2 H 2.32 . 2 587 . 60 GLU HG3 H 2.37 . 2 588 . 60 GLU C C 179.5 . 1 589 . 61 LEU N N 123.6 . 1 590 . 61 LEU H H 8.76 . 1 591 . 61 LEU CA C 58.0 . 1 592 . 61 LEU HA H 4.24 . 1 593 . 61 LEU CB C 42.5 . 1 594 . 61 LEU HB2 H 2.20 . 2 595 . 61 LEU HB3 H 1.72 . 2 596 . 61 LEU CG C 27.0 . 1 597 . 61 LEU HG H 1.37 . 1 598 . 61 LEU HD1 H 0.62 . 2 599 . 61 LEU HD2 H 0.66 . 2 600 . 61 LEU CD1 C 25.9 . 1 601 . 61 LEU CD2 C 23.7 . 1 602 . 61 LEU C C 179.2 . 1 603 . 62 LEU N N 114.1 . 1 604 . 62 LEU H H 8.05 . 1 605 . 62 LEU CA C 57.8 . 1 606 . 62 LEU HA H 3.67 . 1 607 . 62 LEU CB C 39.6 . 1 608 . 62 LEU HB2 H 1.61 . 2 609 . 62 LEU HB3 H 1.12 . 2 610 . 62 LEU CG C 24.6 . 1 611 . 62 LEU HG H 0.34 . 1 612 . 62 LEU HD1 H 1.73 . 2 613 . 62 LEU HD2 H -0.67 . 2 614 . 62 LEU CD1 C 24.7 . 1 615 . 62 LEU CD2 C 18.7 . 1 616 . 62 LEU C C 180.9 . 1 617 . 63 ARG N N 116.9 . 1 618 . 63 ARG H H 7.39 . 1 619 . 63 ARG CA C 58.2 . 1 620 . 63 ARG HA H 4.16 . 1 621 . 63 ARG CB C 30.0 . 1 622 . 63 ARG HB2 H 2.12 . 1 623 . 63 ARG HB3 H 2.12 . 1 624 . 63 ARG CG C 27.7 . 1 625 . 63 ARG HG2 H 2.00 . 2 626 . 63 ARG HG3 H 1.79 . 2 627 . 63 ARG CD C 43.4 . 1 628 . 63 ARG HD2 H 3.34 . 2 629 . 63 ARG HD3 H 3.35 . 2 630 . 63 ARG C C 177.7 . 1 631 . 64 GLU N N 115.5 . 1 632 . 64 GLU H H 7.86 . 1 633 . 64 GLU CA C 55.7 . 1 634 . 64 GLU HA H 4.18 . 1 635 . 64 GLU CB C 29.0 . 1 636 . 64 GLU HB2 H 2.01 . 2 637 . 64 GLU HB3 H 2.16 . 2 638 . 64 GLU CG C 36.2 . 1 639 . 64 GLU HG2 H 2.41 . 2 640 . 64 GLU HG3 H 2.33 . 2 641 . 64 GLU C C 175.0 . 1 642 . 65 PHE N N 116.4 . 1 643 . 65 PHE H H 7.56 . 1 644 . 65 PHE CA C 56.1 . 1 645 . 65 PHE HA H 5.13 . 1 646 . 65 PHE CB C 41.1 . 1 647 . 65 PHE HB2 H 3.35 . 2 648 . 65 PHE HB3 H 3.62 . 2 649 . 65 PHE HD1 H 6.92 . 1 650 . 65 PHE HD2 H 6.92 . 1 651 . 65 PHE CD1 C 131.4 . 1 652 . 66 PRO CD C 50.6 . 1 653 . 66 PRO CA C 64.4 . 1 654 . 66 PRO HA H 4.88 . 1 655 . 66 PRO CB C 32.5 . 1 656 . 66 PRO HB2 H 2.20 . 2 657 . 66 PRO HB3 H 2.33 . 2 658 . 66 PRO CG C 27.1 . 1 659 . 66 PRO HG2 H 2.02 . 2 660 . 66 PRO HG3 H 2.09 . 2 661 . 66 PRO HD2 H 3.45 . 2 662 . 66 PRO HD3 H 3.86 . 2 663 . 66 PRO C C 177.0 . 1 664 . 67 ASP N N 118.7 . 1 665 . 67 ASP H H 8.46 . 1 666 . 67 ASP CA C 55.2 . 1 667 . 67 ASP HA H 4.37 . 1 668 . 67 ASP CB C 39.6 . 1 669 . 67 ASP HB2 H 2.43 . 2 670 . 67 ASP HB3 H 2.15 . 2 671 . 67 ASP C C 174.0 . 1 672 . 68 TYR N N 117.1 . 1 673 . 68 TYR H H 7.01 . 1 674 . 68 TYR CA C 56.3 . 1 675 . 68 TYR HA H 4.23 . 1 676 . 68 TYR CB C 38.9 . 1 677 . 68 TYR HB2 H 1.12 . 2 678 . 68 TYR HB3 H 1.35 . 2 679 . 68 TYR HD1 H 6.91 . 1 680 . 68 TYR HD2 H 6.91 . 1 681 . 68 TYR HE1 H 6.84 . 1 682 . 68 TYR HE2 H 6.84 . 1 683 . 68 TYR CD1 C 132.0 . 1 684 . 68 TYR CE1 C 116.7 . 1 685 . 68 TYR C C 175.5 . 1 686 . 69 THR N N 119.6 . 1 687 . 69 THR H H 9.50 . 1 688 . 69 THR CA C 59.2 . 1 689 . 69 THR HA H 4.41 . 1 690 . 69 THR CB C 67.5 . 1 691 . 69 THR HB H 4.30 . 1 692 . 69 THR HG2 H 1.20 . 1 693 . 69 THR CG2 C 21.6 . 1 694 . 69 THR C C 175.0 . 1 695 . 70 TRP N N 118.9 . 1 696 . 70 TRP H H 6.94 . 1 697 . 70 TRP CA C 58.0 . 1 698 . 70 TRP HA H 4.31 . 1 699 . 70 TRP CB C 31.6 . 1 700 . 70 TRP HB2 H 3.00 . 2 701 . 70 TRP HB3 H 2.89 . 2 702 . 70 TRP CD1 C 127.9 . 1 703 . 70 TRP CE3 C 118.1 . 1 704 . 70 TRP NE1 N 129.0 . 1 705 . 70 TRP HD1 H 7.43 . 1 706 . 70 TRP HE3 H 7.02 . 1 707 . 70 TRP CZ3 C 122.0 . 1 708 . 70 TRP CZ2 C 112.4 . 1 709 . 70 TRP HE1 H 10.67 . 1 710 . 70 TRP HZ3 H 7.03 . 1 711 . 70 TRP CH2 C 123.6 . 1 712 . 70 TRP HZ2 H 6.70 . 1 713 . 70 TRP HH2 H 6.18 . 1 714 . 71 GLN H H 6.99 . 1 715 . 71 GLN CA C 54.9 . 1 716 . 71 GLN HA H 4.86 . 1 717 . 71 GLN CB C 32.8 . 1 718 . 71 GLN HB2 H 2.55 . 2 719 . 71 GLN HB3 H 1.93 . 2 720 . 71 GLN CG C 34.4 . 1 721 . 71 GLN HG2 H 2.53 . 1 722 . 71 GLN HG3 H 2.53 . 1 723 . 71 GLN NE2 N 113.3 . 1 724 . 71 GLN HE21 H 6.81 . 2 725 . 71 GLN HE22 H 7.60 . 2 726 . 71 GLN C C 174.5 . 1 727 . 72 VAL N N 120.6 . 1 728 . 72 VAL H H 8.48 . 1 729 . 72 VAL CA C 62.3 . 1 730 . 72 VAL HA H 4.41 . 1 731 . 72 VAL CB C 33.0 . 1 732 . 72 VAL HB H 0.70 . 1 733 . 72 VAL HG1 H 0.20 . 2 734 . 72 VAL HG2 H -0.74 . 2 735 . 72 VAL CG1 C 19.9 . 1 736 . 72 VAL CG2 C 21.2 . 1 737 . 72 VAL C C 174.4 . 1 738 . 73 ALA N N 131.4 . 1 739 . 73 ALA H H 8.86 . 1 740 . 73 ALA CA C 48.9 . 1 741 . 73 ALA HA H 5.11 . 1 742 . 73 ALA HB H 0.06 . 1 743 . 73 ALA CB C 20.9 . 1 744 . 73 ALA C C 175.8 . 1 745 . 74 ILE N N 111.6 . 1 746 . 74 ILE H H 8.12 . 1 747 . 74 ILE CA C 59.3 . 1 748 . 74 ILE HA H 4.76 . 1 749 . 74 ILE CB C 41.4 . 1 750 . 74 ILE HB H 1.89 . 1 751 . 74 ILE HG2 H 1.03 . 1 752 . 74 ILE CG2 C 21.9 . 1 753 . 74 ILE CG1 C 24.4 . 1 754 . 74 ILE HG12 H 0.30 . 2 755 . 74 ILE HG13 H 1.15 . 2 756 . 74 ILE HD1 H -0.27 . 1 757 . 74 ILE CD1 C 12.3 . 1 758 . 74 ILE C C 172.8 . 1 759 . 75 ALA N N 121.9 . 1 760 . 75 ALA H H 7.26 . 1 761 . 75 ALA CA C 49.3 . 1 762 . 75 ALA HA H 5.46 . 1 763 . 75 ALA HB H 1.23 . 1 764 . 75 ALA CB C 22.4 . 1 765 . 75 ALA C C 177.4 . 1 766 . 76 ASP N N 125.1 . 1 767 . 76 ASP H H 9.32 . 1 768 . 76 ASP CA C 53.1 . 1 769 . 76 ASP HA H 4.05 . 1 770 . 76 ASP CB C 37.8 . 1 771 . 76 ASP HB2 H 2.74 . 2 772 . 76 ASP HB3 H 1.76 . 2 773 . 76 ASP C C 176.8 . 1 774 . 77 LEU N N 116.4 . 1 775 . 77 LEU H H 7.69 . 1 776 . 77 LEU CA C 58.9 . 1 777 . 77 LEU HA H 3.56 . 1 778 . 77 LEU CB C 39.7 . 1 779 . 77 LEU HB2 H 1.10 . 2 780 . 77 LEU HB3 H 1.44 . 2 781 . 77 LEU CG C 25.3 . 1 782 . 77 LEU HG H 0.52 . 1 783 . 77 LEU HD1 H -0.12 . 2 784 . 77 LEU HD2 H 0.52 . 2 785 . 77 LEU CD1 C 21.8 . 1 786 . 77 LEU CD2 C 25.2 . 1 787 . 77 LEU C C 179.9 . 1 788 . 78 GLU N N 119.9 . 1 789 . 78 GLU H H 7.82 . 1 790 . 78 GLU CA C 59.1 . 1 791 . 78 GLU HA H 4.11 . 1 792 . 78 GLU CB C 29.9 . 1 793 . 78 GLU HB2 H 2.03 . 2 794 . 78 GLU HB3 H 2.12 . 2 795 . 78 GLU CG C 36.5 . 1 796 . 78 GLU HG2 H 2.24 . 2 797 . 78 GLU HG3 H 2.15 . 2 798 . 78 GLU C C 180.4 . 1 799 . 79 GLN N N 119.4 . 1 800 . 79 GLN H H 9.73 . 1 801 . 79 GLN CA C 56.9 . 1 802 . 79 GLN HA H 4.14 . 1 803 . 79 GLN CB C 27.6 . 1 804 . 79 GLN HB2 H 2.12 . 2 805 . 79 GLN HB3 H 2.17 . 2 806 . 79 GLN CG C 33.7 . 1 807 . 79 GLN HG2 H 2.52 . 1 808 . 79 GLN HG3 H 2.52 . 1 809 . 79 GLN NE2 N 116.5 . 1 810 . 79 GLN HE21 H 8.03 . 2 811 . 79 GLN HE22 H 7.18 . 2 812 . 79 GLN C C 178.8 . 1 813 . 80 SER N N 118.3 . 1 814 . 80 SER H H 9.07 . 1 815 . 80 SER CA C 63.8 . 1 816 . 80 SER HA H 4.18 . 1 817 . 80 SER CB C 63.8 . 1 818 . 80 SER HB2 H 4.00 . 2 819 . 80 SER HB3 H 3.59 . 2 820 . 80 SER C C 175.5 . 1 821 . 81 GLU N N 120.5 . 1 822 . 81 GLU H H 6.78 . 1 823 . 81 GLU CA C 59.2 . 1 824 . 81 GLU HA H 4.11 . 1 825 . 81 GLU CB C 29.3 . 1 826 . 81 GLU HB2 H 2.12 . 2 827 . 81 GLU HB3 H 2.06 . 2 828 . 81 GLU CG C 36.4 . 1 829 . 81 GLU HG2 H 2.48 . 2 830 . 81 GLU HG3 H 2.46 . 2 831 . 81 GLU C C 177.8 . 1 832 . 82 ALA N N 121.0 . 1 833 . 82 ALA H H 7.41 . 1 834 . 82 ALA CA C 55.3 . 1 835 . 82 ALA HA H 4.25 . 1 836 . 82 ALA HB H 1.52 . 1 837 . 82 ALA CB C 18.4 . 1 838 . 82 ALA C C 181.2 . 1 839 . 83 ILE N N 118.8 . 1 840 . 83 ILE H H 9.06 . 1 841 . 83 ILE CA C 65.8 . 1 842 . 83 ILE HA H 3.63 . 1 843 . 83 ILE CB C 37.7 . 1 844 . 83 ILE HB H 1.75 . 1 845 . 83 ILE HG2 H 0.90 . 1 846 . 83 ILE CG2 C 19.6 . 1 847 . 83 ILE CG1 C 30.1 . 1 848 . 83 ILE HG12 H 2.04 . 2 849 . 83 ILE HG13 H 0.75 . 2 850 . 83 ILE HD1 H 0.54 . 1 851 . 83 ILE CD1 C 13.7 . 1 852 . 83 ILE C C 177.8 . 1 853 . 84 GLY N N 109.0 . 1 854 . 84 GLY H H 8.77 . 1 855 . 84 GLY CA C 48.4 . 1 856 . 84 GLY HA2 H 4.12 . 2 857 . 84 GLY HA3 H 3.57 . 2 858 . 84 GLY C C 176.4 . 1 859 . 85 ASP N N 122.0 . 1 860 . 85 ASP H H 8.62 . 1 861 . 85 ASP CA C 57.5 . 1 862 . 85 ASP HA H 4.30 . 1 863 . 85 ASP CB C 40.6 . 1 864 . 85 ASP HB2 H 2.87 . 2 865 . 85 ASP HB3 H 2.69 . 2 866 . 85 ASP C C 178.8 . 1 867 . 86 ARG N N 119.4 . 1 868 . 86 ARG H H 7.27 . 1 869 . 86 ARG CA C 58.7 . 1 870 . 86 ARG HA H 3.96 . 1 871 . 86 ARG CB C 29.7 . 1 872 . 86 ARG HB2 H 2.09 . 2 873 . 86 ARG HB3 H 1.87 . 2 874 . 86 ARG CG C 25.8 . 1 875 . 86 ARG HG2 H 0.59 . 2 876 . 86 ARG HG3 H 1.49 . 2 877 . 86 ARG CD C 44.5 . 1 878 . 86 ARG HD2 H 2.75 . 2 879 . 86 ARG HD3 H 3.41 . 2 880 . 86 ARG C C 177.2 . 1 881 . 87 PHE N N 114.3 . 1 882 . 87 PHE H H 7.64 . 1 883 . 87 PHE CA C 58.8 . 1 884 . 87 PHE HA H 4.24 . 1 885 . 87 PHE CB C 39.8 . 1 886 . 87 PHE HB2 H 3.18 . 2 887 . 87 PHE HB3 H 2.39 . 2 888 . 87 PHE HD1 H 7.00 . 1 889 . 87 PHE HD2 H 7.00 . 1 890 . 87 PHE HE1 H 6.77 . 1 891 . 87 PHE HE2 H 6.77 . 1 892 . 87 PHE CD1 C 131.0 . 1 893 . 87 PHE CE1 C 129.2 . 1 894 . 87 PHE CZ C 127.6 . 1 895 . 87 PHE HZ H 7.20 . 1 896 . 87 PHE C C 174.7 . 1 897 . 88 GLY N N 110.7 . 1 898 . 88 GLY H H 7.82 . 1 899 . 88 GLY CA C 47.1 . 1 900 . 88 GLY HA2 H 3.67 . 2 901 . 88 GLY HA3 H 3.90 . 2 902 . 88 GLY C C 176.3 . 1 903 . 89 VAL N N 121.2 . 1 904 . 89 VAL H H 8.34 . 1 905 . 89 VAL CA C 61.7 . 1 906 . 89 VAL HA H 3.71 . 1 907 . 89 VAL CB C 33.2 . 1 908 . 89 VAL HB H 1.64 . 1 909 . 89 VAL HG1 H 0.57 . 2 910 . 89 VAL HG2 H 0.73 . 2 911 . 89 VAL CG1 C 21.8 . 1 912 . 89 VAL CG2 C 21.1 . 1 913 . 93 PRO CD C 50.6 . 1 914 . 93 PRO CA C 56.0 . 1 915 . 93 PRO HA H 4.94 . 1 916 . 93 PRO CB C 29.5 . 1 917 . 93 PRO HB2 H 2.11 . 2 918 . 93 PRO HB3 H 1.99 . 2 919 . 93 PRO CG C 27.1 . 1 920 . 93 PRO HG2 H 2.06 . 2 921 . 93 PRO HG3 H 2.02 . 2 922 . 93 PRO HD2 H 3.90 . 2 923 . 93 PRO HD3 H 3.77 . 2 924 . 93 PRO C C 177.8 . 1 925 . 94 ALA N N 122.0 . 1 926 . 94 ALA H H 8.48 . 1 927 . 94 ALA CA C 51.4 . 1 928 . 94 ALA HA H 5.18 . 1 929 . 94 ALA HB H 1.42 . 1 930 . 94 ALA CB C 23.9 . 1 931 . 94 ALA C C 175.2 . 1 932 . 95 THR N N 117.3 . 1 933 . 95 THR H H 8.57 . 1 934 . 95 THR CA C 61.3 . 1 935 . 95 THR HA H 5.14 . 1 936 . 95 THR CB C 70.5 . 1 937 . 95 THR HB H 3.85 . 1 938 . 95 THR HG2 H 0.84 . 1 939 . 95 THR CG2 C 21.2 . 1 940 . 95 THR C C 174.0 . 1 941 . 96 LEU N N 126.4 . 1 942 . 96 LEU H H 9.21 . 1 943 . 96 LEU CA C 54.3 . 1 944 . 96 LEU HA H 4.62 . 1 945 . 96 LEU CB C 43.2 . 1 946 . 96 LEU HB2 H 1.87 . 2 947 . 96 LEU HB3 H 1.27 . 2 948 . 96 LEU CG C 26.6 . 1 949 . 96 LEU HG H 1.56 . 1 950 . 96 LEU HD1 H 0.24 . 2 951 . 96 LEU HD2 H 0.59 . 2 952 . 96 LEU CD1 C 25.6 . 1 953 . 96 LEU CD2 C 21.8 . 1 954 . 96 LEU C C 176.2 . 1 955 . 97 VAL N N 120.9 . 1 956 . 97 VAL H H 8.38 . 1 957 . 97 VAL CA C 62.8 . 1 958 . 97 VAL HA H 4.50 . 1 959 . 97 VAL CB C 33.7 . 1 960 . 97 VAL HB H 1.50 . 1 961 . 97 VAL HG1 H 0.55 . 2 962 . 97 VAL HG2 H 0.63 . 2 963 . 97 VAL CG1 C 20.1 . 1 964 . 97 VAL CG2 C 20.7 . 1 965 . 97 VAL C C 173.2 . 1 966 . 98 PHE N N 127.1 . 1 967 . 98 PHE H H 9.43 . 1 968 . 98 PHE CA C 56.0 . 1 969 . 98 PHE HA H 5.44 . 1 970 . 98 PHE CB C 41.7 . 1 971 . 98 PHE HB2 H 2.64 . 2 972 . 98 PHE HB3 H 3.02 . 2 973 . 98 PHE HD1 H 7.08 . 1 974 . 98 PHE HD2 H 7.08 . 1 975 . 98 PHE HE1 H 7.25 . 1 976 . 98 PHE HE2 H 7.25 . 1 977 . 98 PHE CD1 C 131.2 . 1 978 . 98 PHE CE1 C 129.8 . 1 979 . 98 PHE CZ C 128.1 . 1 980 . 98 PHE HZ H 6.77 . 1 981 . 98 PHE C C 176.1 . 1 982 . 99 THR N N 109.5 . 1 983 . 99 THR H H 8.45 . 1 984 . 99 THR CA C 60.3 . 1 985 . 99 THR HA H 5.44 . 1 986 . 99 THR CB C 71.7 . 1 987 . 99 THR HB H 4.19 . 1 988 . 99 THR HG2 H 0.67 . 1 989 . 99 THR CG2 C 24.4 . 1 990 . 99 THR C C 177.3 . 1 991 . 100 GLY N N 114.9 . 1 992 . 100 GLY H H 9.20 . 1 993 . 100 GLY CA C 46.8 . 1 994 . 100 GLY HA2 H 3.97 . 2 995 . 100 GLY HA3 H 3.87 . 2 996 . 100 GLY C C 175.4 . 1 997 . 101 GLY N N 107.0 . 1 998 . 101 GLY H H 9.83 . 1 999 . 101 GLY CA C 44.9 . 1 1000 . 101 GLY HA2 H 3.83 . 2 1001 . 101 GLY HA3 H 4.21 . 2 1002 . 101 GLY C C 173.7 . 1 1003 . 102 ASN N N 118.6 . 1 1004 . 102 ASN H H 8.29 . 1 1005 . 102 ASN CA C 51.8 . 1 1006 . 102 ASN HA H 5.21 . 1 1007 . 102 ASN CB C 41.0 . 1 1008 . 102 ASN HB2 H 2.79 . 2 1009 . 102 ASN HB3 H 2.68 . 2 1010 . 102 ASN HD21 H 7.07 . 2 1011 . 102 ASN C C 174.1 . 1 1012 . 103 TYR N N 123.4 . 1 1013 . 103 TYR H H 9.18 . 1 1014 . 103 TYR CA C 58.2 . 1 1015 . 103 TYR HA H 4.05 . 1 1016 . 103 TYR CB C 37.6 . 1 1017 . 103 TYR HB2 H 3.25 . 2 1018 . 103 TYR HB3 H 2.86 . 2 1019 . 103 TYR HD1 H 6.36 . 1 1020 . 103 TYR HD2 H 6.36 . 1 1021 . 103 TYR HE1 H 6.48 . 1 1022 . 103 TYR HE2 H 6.48 . 1 1023 . 103 TYR CD1 C 131.2 . 1 1024 . 103 TYR CE1 C 117.8 . 1 1025 . 103 TYR C C 175.9 . 1 1026 . 104 ARG N N 126.3 . 1 1027 . 104 ARG H H 9.06 . 1 1028 . 104 ARG CA C 53.2 . 1 1029 . 104 ARG HA H 4.25 . 1 1030 . 104 ARG CB C 29.9 . 1 1031 . 104 ARG HB2 H 1.90 . 1 1032 . 104 ARG HB3 H 1.90 . 1 1033 . 104 ARG CG C 26.8 . 1 1034 . 104 ARG HG2 H 1.21 . 1 1035 . 104 ARG HG3 H 1.21 . 1 1036 . 104 ARG CD C 41.4 . 1 1037 . 104 ARG HD2 H 3.06 . 1 1038 . 104 ARG HD3 H 3.06 . 1 1039 . 104 ARG C C 175.6 . 1 1040 . 105 GLY N N 104.2 . 1 1041 . 105 GLY H H 5.95 . 1 1042 . 105 GLY CA C 44.5 . 1 1043 . 105 GLY HA2 H 3.09 . 2 1044 . 105 GLY HA3 H 4.13 . 2 1045 . 105 GLY C C 181.4 . 1 1046 . 106 VAL N N 114.8 . 1 1047 . 106 VAL H H 7.88 . 1 1048 . 106 VAL CA C 57.3 . 1 1049 . 106 VAL HA H 5.13 . 1 1050 . 106 VAL CB C 34.4 . 1 1051 . 106 VAL HB H 2.10 . 1 1052 . 106 VAL HG1 H 0.84 . 2 1053 . 106 VAL HG2 H 0.75 . 2 1054 . 106 VAL CG1 C 19.0 . 1 1055 . 106 VAL CG2 C 22.9 . 1 1056 . 106 VAL C C 173.8 . 1 1057 . 107 LEU N N 125.6 . 1 1058 . 107 LEU H H 8.77 . 1 1059 . 107 LEU CA C 52.7 . 1 1060 . 107 LEU HA H 4.46 . 1 1061 . 107 LEU CB C 42.4 . 1 1062 . 107 LEU HB2 H 1.70 . 2 1063 . 107 LEU HB3 H 1.13 . 2 1064 . 107 LEU CG C 25.8 . 1 1065 . 107 LEU HG H 1.33 . 1 1066 . 107 LEU HD1 H 0.53 . 2 1067 . 107 LEU HD2 H 0.60 . 2 1068 . 107 LEU CD1 C 23.9 . 1 1069 . 107 LEU CD2 C 25.5 . 1 1070 . 108 ASN CA C 53.4 . 1 1071 . 108 ASN HA H 4.70 . 1 1072 . 108 ASN CB C 38.7 . 1 1073 . 108 ASN HB2 H 2.80 . 2 1074 . 108 ASN HB3 H 2.78 . 2 1075 . 109 GLY CA C 45.3 . 1 1076 . 109 GLY HA2 H 3.88 . 2 1077 . 109 GLY HA3 H 3.95 . 2 1078 . 110 ILE CA C 59.0 . 1 1079 . 110 ILE HA H 4.29 . 1 1080 . 110 ILE CB C 37.7 . 1 1081 . 110 ILE HB H 1.75 . 1 1082 . 110 ILE HG2 H 0.85 . 1 1083 . 110 ILE CG2 C 17.5 . 1 1084 . 110 ILE CG1 C 27.0 . 1 1085 . 110 ILE HG12 H 1.25 . 2 1086 . 110 ILE HG13 H 1.39 . 2 1087 . 110 ILE HD1 H 0.77 . 1 1088 . 110 ILE CD1 C 11.2 . 1 1089 . 111 HIS CA C 56.4 . 1 1090 . 111 HIS HA H 4.62 . 1 1091 . 111 HIS CB C 29.9 . 1 1092 . 111 HIS HB2 H 3.12 . 2 1093 . 111 HIS HB3 H 3.11 . 2 1094 . 111 HIS CD2 C 119.8 . 1 1095 . 111 HIS HD2 H 7.08 . 1 1096 . 112 PRO CD C 50.6 . 1 1097 . 112 PRO CA C 62.4 . 1 1098 . 112 PRO HA H 4.63 . 1 1099 . 112 PRO CB C 32.3 . 1 1100 . 112 PRO HB2 H 2.07 . 2 1101 . 112 PRO HB3 H 2.54 . 2 1102 . 112 PRO CG C 27.6 . 1 1103 . 112 PRO HG2 H 2.11 . 2 1104 . 112 PRO HG3 H 2.16 . 2 1105 . 112 PRO HD2 H 3.79 . 2 1106 . 112 PRO HD3 H 3.78 . 2 1107 . 112 PRO C C 176.9 . 1 1108 . 113 TRP N N 124.0 . 1 1109 . 113 TRP H H 8.82 . 1 1110 . 113 TRP CA C 60.7 . 1 1111 . 113 TRP HA H 4.46 . 1 1112 . 113 TRP CB C 30.6 . 1 1113 . 113 TRP HB2 H 3.47 . 2 1114 . 113 TRP HB3 H 3.20 . 2 1115 . 113 TRP CD1 C 126.2 . 1 1116 . 113 TRP CE3 C 120.3 . 1 1117 . 113 TRP HD1 H 7.20 . 1 1118 . 113 TRP HE3 H 6.73 . 1 1119 . 113 TRP CZ3 C 120.3 . 1 1120 . 113 TRP CZ2 C 113.8 . 1 1121 . 113 TRP HE1 H 10.20 . 1 1122 . 113 TRP HZ3 H 7.12 . 1 1123 . 113 TRP CH2 C 123.3 . 1 1124 . 113 TRP HZ2 H 7.47 . 1 1125 . 113 TRP HH2 H 7.05 . 1 1126 . 113 TRP C C 176.1 . 1 1127 . 114 ALA N N 116.5 . 1 1128 . 114 ALA H H 8.90 . 1 1129 . 114 ALA CA C 55.2 . 1 1130 . 114 ALA HA H 3.77 . 1 1131 . 114 ALA HB H 1.43 . 1 1132 . 114 ALA CB C 17.9 . 1 1133 . 114 ALA C C 180.5 . 1 1134 . 115 GLU N N 116.2 . 1 1135 . 115 GLU H H 7.16 . 1 1136 . 115 GLU CA C 58.4 . 1 1137 . 115 GLU HA H 4.13 . 1 1138 . 115 GLU CB C 30.4 . 1 1139 . 115 GLU HB2 H 2.14 . 1 1140 . 115 GLU HB3 H 2.14 . 1 1141 . 115 GLU CG C 36.5 . 1 1142 . 115 GLU HG2 H 2.36 . 1 1143 . 115 GLU HG3 H 2.36 . 1 1144 . 115 GLU C C 174.3 . 1 1145 . 116 LEU N N 121.9 . 1 1146 . 116 LEU H H 8.48 . 1 1147 . 116 LEU CA C 57.8 . 1 1148 . 116 LEU HA H 3.67 . 1 1149 . 116 LEU CB C 41.5 . 1 1150 . 116 LEU HB2 H 1.86 . 2 1151 . 116 LEU HB3 H 1.43 . 2 1152 . 116 LEU CG C 26.3 . 1 1153 . 116 LEU HG H 1.46 . 1 1154 . 116 LEU HD1 H 0.92 . 2 1155 . 116 LEU HD2 H 0.99 . 2 1156 . 116 LEU CD1 C 23.5 . 1 1157 . 116 LEU CD2 C 26.2 . 1 1158 . 116 LEU C C 178.2 . 1 1159 . 117 ILE N N 116.3 . 1 1160 . 117 ILE H H 7.81 . 1 1161 . 117 ILE CA C 65.0 . 1 1162 . 117 ILE HA H 3.35 . 1 1163 . 117 ILE CB C 37.0 . 1 1164 . 117 ILE HB H 1.50 . 1 1165 . 117 ILE HG2 H 0.71 . 1 1166 . 117 ILE CG2 C 17.1 . 1 1167 . 117 ILE CG1 C 28.1 . 1 1168 . 117 ILE HG12 H 0.36 . 2 1169 . 117 ILE HG13 H 0.84 . 2 1170 . 117 ILE HD1 H 0.25 . 1 1171 . 117 ILE CD1 C 11.8 . 1 1172 . 117 ILE C C 177.7 . 1 1173 . 118 ASN N N 117.7 . 1 1174 . 118 ASN H H 7.18 . 1 1175 . 118 ASN CA C 56.5 . 1 1176 . 118 ASN HA H 4.37 . 1 1177 . 118 ASN CB C 38.1 . 1 1178 . 118 ASN HB2 H 2.81 . 1 1179 . 118 ASN HB3 H 2.81 . 1 1180 . 118 ASN ND2 N 112.7 . 1 1181 . 118 ASN HD21 H 7.62 . 2 1182 . 118 ASN HD22 H 6.84 . 2 1183 . 118 ASN C C 178.7 . 1 1184 . 119 LEU N N 122.6 . 1 1185 . 119 LEU H H 8.50 . 1 1186 . 119 LEU CA C 57.3 . 1 1187 . 119 LEU HA H 3.97 . 1 1188 . 119 LEU CB C 41.8 . 1 1189 . 119 LEU HB2 H 1.66 . 2 1190 . 119 LEU HB3 H 1.14 . 2 1191 . 119 LEU CG C 26.2 . 1 1192 . 119 LEU HG H 1.57 . 1 1193 . 119 LEU HD1 H 0.23 . 2 1194 . 119 LEU HD2 H 0.69 . 2 1195 . 119 LEU CD1 C 23.8 . 1 1196 . 119 LEU CD2 C 22.5 . 1 1197 . 119 LEU C C 179.8 . 1 1198 . 120 MET N N 119.9 . 1 1199 . 120 MET H H 8.30 . 1 1200 . 120 MET CA C 57.8 . 1 1201 . 120 MET HA H 3.72 . 1 1202 . 120 MET CB C 32.5 . 1 1203 . 120 MET HB2 H 2.13 . 2 1204 . 120 MET HB3 H 1.65 . 2 1205 . 120 MET CG C 32.1 . 1 1206 . 120 MET HG2 H 2.47 . 2 1207 . 120 MET HG3 H 1.64 . 2 1208 . 120 MET HE H 1.05 . 1 1209 . 120 MET CE C 18.7 . 1 1210 . 120 MET C C 177.7 . 1 1211 . 121 ARG N N 119.5 . 1 1212 . 121 ARG H H 8.75 . 1 1213 . 121 ARG CA C 60.3 . 1 1214 . 121 ARG HA H 3.88 . 1 1215 . 121 ARG CB C 29.5 . 1 1216 . 121 ARG HB2 H 2.06 . 2 1217 . 121 ARG HB3 H 1.98 . 2 1218 . 121 ARG CG C 27.5 . 1 1219 . 121 ARG HG2 H 1.80 . 2 1220 . 121 ARG HG3 H 1.79 . 2 1221 . 121 ARG CD C 43.2 . 1 1222 . 121 ARG HD2 H 3.31 . 1 1223 . 121 ARG HD3 H 3.31 . 1 1224 . 121 ARG C C 178.0 . 1 1225 . 122 GLY N N 102.9 . 1 1226 . 122 GLY H H 7.63 . 1 1227 . 122 GLY CA C 46.4 . 1 1228 . 122 GLY HA2 H 3.73 . 2 1229 . 122 GLY HA3 H 3.85 . 2 1230 . 122 GLY C C 175.1 . 1 1231 . 123 LEU N N 117.7 . 1 1232 . 123 LEU H H 7.34 . 1 1233 . 123 LEU CA C 56.3 . 1 1234 . 123 LEU HA H 4.16 . 1 1235 . 123 LEU CB C 42.3 . 1 1236 . 123 LEU HB2 H 1.94 . 2 1237 . 123 LEU HB3 H 0.77 . 2 1238 . 123 LEU CG C 25.5 . 1 1239 . 123 LEU HG H 1.72 . 1 1240 . 123 LEU HD1 H 0.37 . 2 1241 . 123 LEU HD2 H 0.57 . 2 1242 . 123 LEU CD1 C 25.7 . 1 1243 . 123 LEU CD2 C 22.1 . 1 1244 . 123 LEU C C 178.7 . 1 1245 . 124 VAL N N 108.7 . 1 1246 . 124 VAL H H 7.62 . 1 1247 . 124 VAL CA C 62.3 . 1 1248 . 124 VAL HA H 4.11 . 1 1249 . 124 VAL CB C 32.1 . 1 1250 . 124 VAL HB H 2.21 . 1 1251 . 124 VAL HG1 H 0.65 . 2 1252 . 124 VAL HG2 H 0.85 . 2 1253 . 124 VAL CG1 C 22.4 . 1 1254 . 124 VAL CG2 C 19.2 . 1 1255 . 124 VAL C C 176.1 . 1 1256 . 125 GLU N N 122.0 . 1 1257 . 125 GLU H H 8.10 . 1 1258 . 125 GLU CA C 54.5 . 1 1259 . 125 GLU HA H 4.69 . 1 1260 . 125 GLU CB C 29.3 . 1 1261 . 125 GLU HB2 H 2.06 . 1 1262 . 125 GLU HB3 H 2.06 . 1 1263 . 125 GLU CG C 36.2 . 1 1264 . 125 GLU HG2 H 2.40 . 1 1265 . 125 GLU HG3 H 2.40 . 1 1266 . 126 PRO CD C 50.3 . 1 1267 . 126 PRO CA C 63.4 . 1 1268 . 126 PRO HA H 4.41 . 1 1269 . 126 PRO CB C 31.8 . 1 1270 . 126 PRO HB2 H 2.32 . 2 1271 . 126 PRO HB3 H 1.89 . 2 1272 . 126 PRO CG C 27.5 . 1 1273 . 126 PRO HG2 H 1.98 . 1 1274 . 126 PRO HG3 H 1.98 . 1 1275 . 126 PRO HD2 H 3.58 . 1 1276 . 126 PRO HD3 H 3.58 . 1 1277 . 126 PRO C C 177.5 . 1 1278 . 127 GLN N N 120.3 . 1 1279 . 127 GLN H H 8.57 . 1 1280 . 127 GLN CA C 55.8 . 1 1281 . 127 GLN HA H 4.29 . 1 1282 . 127 GLN CB C 29.2 . 1 1283 . 127 GLN HB2 H 2.12 . 2 1284 . 127 GLN HB3 H 1.97 . 2 1285 . 127 GLN CG C 33.7 . 1 1286 . 127 GLN HG2 H 2.40 . 1 1287 . 127 GLN HG3 H 2.40 . 1 1288 . 127 GLN NE2 N 112.4 . 1 1289 . 127 GLN HE21 H 7.57 . 2 1290 . 127 GLN HE22 H 6.85 . 2 1291 . 127 GLN C C 176.3 . 1 1292 . 128 GLN N N 121.0 . 1 1293 . 128 GLN H H 8.41 . 1 1294 . 128 GLN CA C 55.8 . 1 1295 . 128 GLN HA H 4.29 . 1 1296 . 128 GLN CB C 29.4 . 1 1297 . 128 GLN HB2 H 1.98 . 2 1298 . 128 GLN HB3 H 2.10 . 2 1299 . 128 GLN CG C 33.7 . 1 1300 . 128 GLN HG2 H 2.37 . 1 1301 . 128 GLN HG3 H 2.37 . 1 1302 . 128 GLN C C 173.9 . 1 1303 . 129 GLU N N 125.3 . 1 1304 . 129 GLU H H 8.12 . 1 1305 . 129 GLU CA C 57.2 . 1 1306 . 129 GLU HA H 4.23 . 1 1307 . 129 GLU CB C 30.0 . 1 1308 . 129 GLU HB2 H 1.92 . 2 1309 . 129 GLU HB3 H 1.94 . 2 1310 . 129 GLU CG C 36.4 . 1 1311 . 129 GLU HG2 H 2.31 . 1 1312 . 129 GLU HG3 H 2.31 . 1 1313 . 129 GLU C C 176.6 . 1 1314 . 130 ARG N N 122.0 . 1 1315 . 130 ARG H H 8.35 . 1 1316 . 130 ARG CA C 56.4 . 1 1317 . 130 ARG HA H 4.28 . 1 1318 . 130 ARG CB C 30.6 . 1 1319 . 130 ARG HB2 H 1.86 . 2 1320 . 130 ARG HB3 H 1.77 . 2 1321 . 130 ARG CG C 27.1 . 1 1322 . 130 ARG HG2 H 1.62 . 2 1323 . 130 ARG HG3 H 1.63 . 2 1324 . 130 ARG CD C 43.2 . 1 1325 . 130 ARG HD2 H 3.18 . 1 1326 . 130 ARG HD3 H 3.18 . 1 1327 . 130 ARG C C 176.3 . 1 1328 . 131 ALA N N 124.7 . 1 1329 . 131 ALA H H 8.35 . 1 1330 . 131 ALA CA C 52.8 . 1 1331 . 131 ALA HA H 4.29 . 1 1332 . 131 ALA HB H 1.38 . 1 1333 . 131 ALA CB C 19.1 . 1 1334 . 131 ALA C C 178.0 . 1 1335 . 132 SER N N 114.3 . 1 1336 . 132 SER H H 8.24 . 1 1337 . 132 SER CA C 58.4 . 1 1338 . 132 SER HA H 4.40 . 1 1339 . 132 SER CB C 63.8 . 1 1340 . 132 SER HB2 H 3.91 . 2 1341 . 132 SER HB3 H 3.86 . 2 1342 . 132 SER C C 174.8 . 1 1343 . 133 LEU N N 123.6 . 1 1344 . 133 LEU H H 8.21 . 1 1345 . 133 LEU CA C 55.4 . 1 1346 . 133 LEU HA H 4.29 . 1 1347 . 133 LEU CB C 42.1 . 1 1348 . 133 LEU HB2 H 1.61 . 2 1349 . 133 LEU HB3 H 1.54 . 2 1350 . 133 LEU CG C 26.8 . 1 1351 . 133 LEU HG H 1.58 . 1 1352 . 133 LEU HD1 H 0.87 . 2 1353 . 133 LEU HD2 H 0.82 . 2 1354 . 133 LEU CD1 C 23.1 . 1 1355 . 133 LEU CD2 C 23.3 . 1 1356 . 133 LEU C C 177.5 . 1 1357 . 134 GLU N N 120.2 . 1 1358 . 134 GLU H H 8.22 . 1 1359 . 134 GLU CA C 56.7 . 1 1360 . 134 GLU HA H 4.15 . 1 1361 . 134 GLU CB C 30.1 . 1 1362 . 134 GLU HB2 H 1.85 . 1 1363 . 134 GLU HB3 H 1.85 . 1 1364 . 134 GLU CG C 36.0 . 1 1365 . 134 GLU HG2 H 2.12 . 2 1366 . 134 GLU HG3 H 2.18 . 2 1367 . 134 GLU C C 176.5 . 1 1368 . 135 HIS N N 122.6 . 1 1369 . 135 HIS H H 8.41 . 1 1370 . 135 HIS CA C 56.2 . 1 1371 . 135 HIS HA H 4.62 . 1 1372 . 135 HIS CB C 30.7 . 1 1373 . 135 HIS HB2 H 3.12 . 2 1374 . 135 HIS HB3 H 3.11 . 2 1375 . 135 HIS CD2 C 119.8 . 1 1376 . 135 HIS HD2 H 7.08 . 1 1377 . 135 HIS C C 176.2 . 1 1378 . 136 HIS N N 125.1 . 1 1379 . 136 HIS H H 8.40 . 1 1380 . 136 HIS CA C 52.7 . 1 1381 . 136 HIS HA H 4.62 . 1 1382 . 136 HIS CB C 19.2 . 1 1383 . 136 HIS HB2 H 3.12 . 2 1384 . 136 HIS HB3 H 3.11 . 2 1385 . 136 HIS CD2 C 119.8 . 1 1386 . 136 HIS HD2 H 7.08 . 1 1387 . 136 HIS C C 176.1 . 1 1388 . 137 HIS N N 122.2 . 1 1389 . 137 HIS H H 8.53 . 1 1390 . 137 HIS CA C 56.4 . 1 1391 . 137 HIS HA H 4.62 . 1 1392 . 137 HIS CB C 29.9 . 1 1393 . 137 HIS HB2 H 3.12 . 2 1394 . 137 HIS HB3 H 3.11 . 2 1395 . 137 HIS CD2 C 119.8 . 1 1396 . 137 HIS HD2 H 7.08 . 1 stop_ save_