data_16097 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution structure of an uncharacterized protein from Chlorobium tepidum. Northeast Structural Genomics target CtR107 ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mills Jeffrey L. . 2 Zhang Qi . . 3 Sukumaran Dinesh K. . 4 Wang Dongyan . . 5 Jiang Mei . . 6 Foote Erica L. . 7 Xiao Rong . . 8 Nair Rajesh . . 9 Everett John K. . 10 Swapna G.V.T. . . 11 Acton Thomas B. . 12 Rost Burkhard . . 13 Montelione Gaetano T. . 14 SZYPERSKI THOMAS . . stop_ _BMRB_accession_number 16097 _BMRB_flat_file_name bmr16097.str _Entry_type new _Submission_date 2008-12-29 _Accession_date 2008-12-29 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 1034 '13C chemical shifts' 488 '15N chemical shifts' 155 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-03-05 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution NMR structure of an uncharacterized protein from Chlorobium tepidum. Northeast Structural Genomics target CtR107' _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 Mills Jeffrey L. . 2 Zhang Qi . . 3 Sukumaran Dinesh K. . 4 Wang Dongyan . . 5 Jiang Mei . . 6 Foote Erica L. . 7 Xiao Rong . . 8 Nair Rajesh . . 9 Everett John K. . 10 Swapna G.V.T. . . 11 Acton Thomas B. . 12 Rost Burkhard . . 13 Montelione Gaetano . . 14 SZYPERSKI THOMAS . . 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 . loop_ _Keyword 'protein structure' PSI NESG stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CtR107 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CtR107 $CtR107 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CtR107 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CtR107 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 166 _Mol_residue_sequence ; MDFECQFVCELKELAPVPAL LIRTQTAMSELGSLFEAGYH DILQLLAGQGKSPSGPPFAR YFGMSAGTFEVEFGFPVEGG VEGSGRVVTGLTPSGKAASS LYIGPYGEIEAVYDALMKWV DDNGFDLSGEAYEIYLDNPA ETAPDQLRTRVSLMLHESLE HHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 PHE 4 GLU 5 CYS 6 GLN 7 PHE 8 VAL 9 CYS 10 GLU 11 LEU 12 LYS 13 GLU 14 LEU 15 ALA 16 PRO 17 VAL 18 PRO 19 ALA 20 LEU 21 LEU 22 ILE 23 ARG 24 THR 25 GLN 26 THR 27 ALA 28 MET 29 SER 30 GLU 31 LEU 32 GLY 33 SER 34 LEU 35 PHE 36 GLU 37 ALA 38 GLY 39 TYR 40 HIS 41 ASP 42 ILE 43 LEU 44 GLN 45 LEU 46 LEU 47 ALA 48 GLY 49 GLN 50 GLY 51 LYS 52 SER 53 PRO 54 SER 55 GLY 56 PRO 57 PRO 58 PHE 59 ALA 60 ARG 61 TYR 62 PHE 63 GLY 64 MET 65 SER 66 ALA 67 GLY 68 THR 69 PHE 70 GLU 71 VAL 72 GLU 73 PHE 74 GLY 75 PHE 76 PRO 77 VAL 78 GLU 79 GLY 80 GLY 81 VAL 82 GLU 83 GLY 84 SER 85 GLY 86 ARG 87 VAL 88 VAL 89 THR 90 GLY 91 LEU 92 THR 93 PRO 94 SER 95 GLY 96 LYS 97 ALA 98 ALA 99 SER 100 SER 101 LEU 102 TYR 103 ILE 104 GLY 105 PRO 106 TYR 107 GLY 108 GLU 109 ILE 110 GLU 111 ALA 112 VAL 113 TYR 114 ASP 115 ALA 116 LEU 117 MET 118 LYS 119 TRP 120 VAL 121 ASP 122 ASP 123 ASN 124 GLY 125 PHE 126 ASP 127 LEU 128 SER 129 GLY 130 GLU 131 ALA 132 TYR 133 GLU 134 ILE 135 TYR 136 LEU 137 ASP 138 ASN 139 PRO 140 ALA 141 GLU 142 THR 143 ALA 144 PRO 145 ASP 146 GLN 147 LEU 148 ARG 149 THR 150 ARG 151 VAL 152 SER 153 LEU 154 MET 155 LEU 156 HIS 157 GLU 158 SER 159 LEU 160 GLU 161 HIS 162 HIS 163 HIS 164 HIS 165 HIS 166 HIS stop_ _Sequence_homology_query_date 2010-08-28 _Sequence_homology_query_revised_last_date 2009-10-07 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 2KCU "Nmr Solution Structure Of An Uncharacterized Protein From Chlorobium Tepidum. Northeast Structural Genomics Target Ctr107" 100.00 166 100.00 100.00 2.30e-92 GB AAM71427 "conserved hypothetical protein [Chlorobium tepidum TLS]" 95.18 158 99.37 99.37 2.10e-86 REF NP_661085 "hypothetical protein CT0179 [Chlorobium tepidum TLS]" 95.18 158 99.37 99.37 2.10e-86 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CtR107 'Chlorobium tepidum' 1097 Bacteria . Chlorobium tepidum 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 $CtR107 'recombinant technology' . Escherichia coli . 'pET 21-23C' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CtR107 0.45 mM '[U-99% 13C; U-99% 15N]' D2O 5 % [U-2H] H2O 95 % 'natural abundance' DSS 50 uM 'natural abundance' DTT 10 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' 'calcium chloride' 5 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' MES 20 mM 'natural abundance' stop_ save_ save_NC5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CtR107 0.45 mM '[U-5% 13C; U-99% 15N]' D2O 5 % [U-2H] H2O 95 % 'natural abundance' DSS 50 uM 'natural abundance' DTT 10 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' 'calcium chloride' 5 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' MES 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection 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_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPSCAN _Saveframe_category software _Name SPSCAN _Version . loop_ _Vendor _Address _Electronic_address Glaser . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version . loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CSI _Saveframe_category software _Name CSI _Version . loop_ _Vendor _Address _Electronic_address '(CSI) Wishart and Sykes' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . 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 'geometry optimization' stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' 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_ ######################### # 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_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $NC save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $NC save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $NC save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $NC save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $NC save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $NC save_ save_3D_HCCH-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $NC save_ save_3D_simultaneous_NCaliCaro_HH_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D simultaneous NCaliCaro HH NOESY' _Sample_label $NC save_ save_2D_1H-13C_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $NC5 save_ save_2D_1H-15N_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $NC5 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 6.5 . pH pressure 1 . atm 'ionic strength' 235 . mM 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 n/a indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 n/a 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 $XEASY stop_ loop_ _Sample_label $NC stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CtR107 _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 MET HE H 2.084 0.020 1 2 1 1 MET CE C 16.650 0.400 1 3 2 2 ASP HA H 4.640 0.020 1 4 2 2 ASP HB2 H 2.664 0.020 2 5 2 2 ASP HB3 H 2.538 0.020 2 6 2 2 ASP CA C 54.253 0.400 1 7 2 2 ASP CB C 41.319 0.400 1 8 3 3 PHE H H 8.317 0.020 1 9 3 3 PHE HA H 4.588 0.020 1 10 3 3 PHE HB2 H 3.175 0.020 2 11 3 3 PHE HB3 H 3.039 0.020 2 12 3 3 PHE HD1 H 7.286 0.020 1 13 3 3 PHE HD2 H 7.286 0.020 1 14 3 3 PHE HE1 H 7.387 0.020 1 15 3 3 PHE HE2 H 7.387 0.020 1 16 3 3 PHE HZ H 7.474 0.020 1 17 3 3 PHE CA C 57.844 0.400 1 18 3 3 PHE CB C 39.567 0.400 1 19 3 3 PHE CD1 C 131.723 0.400 1 20 3 3 PHE CE1 C 131.355 0.400 1 21 3 3 PHE CZ C 131.458 0.400 1 22 3 3 PHE N N 120.513 0.400 1 23 4 4 GLU H H 8.441 0.020 1 24 4 4 GLU HA H 4.256 0.020 1 25 4 4 GLU HB2 H 2.017 0.020 2 26 4 4 GLU HB3 H 1.924 0.020 2 27 4 4 GLU HG2 H 2.207 0.020 2 28 4 4 GLU HG3 H 2.202 0.020 2 29 4 4 GLU CA C 56.455 0.400 1 30 4 4 GLU CB C 30.108 0.400 1 31 4 4 GLU CG C 36.010 0.400 1 32 4 4 GLU N N 122.014 0.400 1 33 5 5 CYS H H 8.243 0.020 1 34 5 5 CYS HA H 4.378 0.020 1 35 5 5 CYS HB2 H 2.859 0.020 2 36 5 5 CYS HB3 H 2.859 0.020 2 37 5 5 CYS CA C 58.334 0.400 1 38 5 5 CYS CB C 28.033 0.400 1 39 5 5 CYS N N 119.884 0.400 1 40 6 6 GLN H H 8.426 0.020 1 41 6 6 GLN HA H 4.212 0.020 1 42 6 6 GLN HB2 H 1.841 0.020 2 43 6 6 GLN HB3 H 1.777 0.020 2 44 6 6 GLN HE21 H 7.409 0.020 2 45 6 6 GLN HE22 H 6.840 0.020 2 46 6 6 GLN HG2 H 2.117 0.020 2 47 6 6 GLN HG3 H 2.032 0.020 2 48 6 6 GLN CA C 55.943 0.400 1 49 6 6 GLN CB C 29.456 0.400 1 50 6 6 GLN CG C 33.277 0.400 1 51 6 6 GLN N N 123.347 0.400 1 52 6 6 GLN NE2 N 112.300 0.400 1 53 7 7 PHE H H 8.076 0.020 1 54 7 7 PHE HA H 4.691 0.020 1 55 7 7 PHE HB2 H 3.153 0.020 2 56 7 7 PHE HB3 H 2.578 0.020 2 57 7 7 PHE HD1 H 7.321 0.020 1 58 7 7 PHE HD2 H 7.321 0.020 1 59 7 7 PHE HE1 H 7.378 0.020 1 60 7 7 PHE HE2 H 7.378 0.020 1 61 7 7 PHE CA C 57.460 0.400 1 62 7 7 PHE CB C 39.768 0.400 1 63 7 7 PHE CD1 C 132.115 0.400 1 64 7 7 PHE N N 119.939 0.400 1 65 8 8 VAL H H 8.757 0.020 1 66 8 8 VAL HA H 4.034 0.020 1 67 8 8 VAL HB H 1.982 0.020 1 68 8 8 VAL HG1 H 0.958 0.020 2 69 8 8 VAL HG2 H 0.839 0.020 2 70 8 8 VAL CA C 62.517 0.400 1 71 8 8 VAL CB C 32.243 0.400 1 72 8 8 VAL CG1 C 20.752 0.400 1 73 8 8 VAL CG2 C 20.287 0.400 1 74 8 8 VAL N N 124.576 0.400 1 75 9 9 CYS H H 8.501 0.020 1 76 9 9 CYS HA H 4.634 0.020 1 77 9 9 CYS HB2 H 1.554 0.020 2 78 9 9 CYS HB3 H 1.177 0.020 2 79 9 9 CYS CA C 56.958 0.400 1 80 9 9 CYS CB C 28.172 0.400 1 81 9 9 CYS N N 129.160 0.400 1 82 10 10 GLU H H 8.426 0.020 1 83 10 10 GLU HA H 4.438 0.020 1 84 10 10 GLU HB2 H 1.850 0.020 2 85 10 10 GLU HB3 H 1.722 0.020 2 86 10 10 GLU HG2 H 2.024 0.020 2 87 10 10 GLU HG3 H 2.023 0.020 2 88 10 10 GLU CA C 53.867 0.400 1 89 10 10 GLU CB C 34.492 0.400 1 90 10 10 GLU CG C 36.010 0.400 1 91 10 10 GLU N N 119.060 0.400 1 92 11 11 LEU H H 8.687 0.020 1 93 11 11 LEU HA H 4.917 0.020 1 94 11 11 LEU HB2 H 1.836 0.020 2 95 11 11 LEU HB3 H 1.661 0.020 2 96 11 11 LEU HD1 H 0.805 0.020 2 97 11 11 LEU HD2 H 0.665 0.020 2 98 11 11 LEU HG H 1.515 0.020 1 99 11 11 LEU CA C 54.040 0.400 1 100 11 11 LEU CB C 42.883 0.400 1 101 11 11 LEU CD1 C 25.262 0.400 1 102 11 11 LEU CD2 C 24.100 0.400 1 103 11 11 LEU CG C 27.179 0.400 1 104 11 11 LEU N N 123.045 0.400 1 105 12 12 LYS H H 9.234 0.020 1 106 12 12 LYS HA H 4.641 0.020 1 107 12 12 LYS HB2 H 1.610 0.020 2 108 12 12 LYS HB3 H 1.398 0.020 2 109 12 12 LYS HD2 H 1.550 0.020 2 110 12 12 LYS HD3 H 1.551 0.020 2 111 12 12 LYS HE2 H 2.930 0.020 2 112 12 12 LYS HE3 H 2.927 0.020 2 113 12 12 LYS HG2 H 1.249 0.020 2 114 12 12 LYS HG3 H 1.192 0.020 2 115 12 12 LYS CA C 53.781 0.400 1 116 12 12 LYS CB C 36.308 0.400 1 117 12 12 LYS CD C 29.017 0.400 1 118 12 12 LYS CE C 41.780 0.400 1 119 12 12 LYS CG C 24.525 0.400 1 120 12 12 LYS N N 126.537 0.400 1 121 13 13 GLU H H 8.441 0.020 1 122 13 13 GLU HA H 4.480 0.020 1 123 13 13 GLU HB2 H 1.901 0.020 2 124 13 13 GLU HB3 H 1.791 0.020 2 125 13 13 GLU HG2 H 2.035 0.020 2 126 13 13 GLU HG3 H 2.034 0.020 2 127 13 13 GLU CA C 55.222 0.400 1 128 13 13 GLU CB C 30.080 0.400 1 129 13 13 GLU CG C 36.010 0.400 1 130 13 13 GLU N N 122.071 0.400 1 131 14 14 LEU H H 8.879 0.020 1 132 14 14 LEU HA H 4.440 0.020 1 133 14 14 LEU HB2 H 1.569 0.020 2 134 14 14 LEU HB3 H 1.240 0.020 2 135 14 14 LEU HD1 H 0.703 0.020 2 136 14 14 LEU HD2 H 0.607 0.020 2 137 14 14 LEU HG H 1.497 0.020 1 138 14 14 LEU CA C 54.213 0.400 1 139 14 14 LEU CB C 41.757 0.400 1 140 14 14 LEU CD1 C 23.070 0.400 1 141 14 14 LEU CD2 C 26.230 0.400 1 142 14 14 LEU CG C 26.770 0.400 1 143 14 14 LEU N N 127.489 0.400 1 144 15 15 ALA H H 8.621 0.020 1 145 15 15 ALA HA H 4.875 0.020 1 146 15 15 ALA HB H 1.304 0.020 1 147 15 15 ALA CA C 48.331 0.400 1 148 15 15 ALA CB C 18.922 0.400 1 149 15 15 ALA N N 128.083 0.400 1 150 16 16 PRO HA H 4.162 0.020 1 151 16 16 PRO HB2 H 1.986 0.020 2 152 16 16 PRO HB3 H 1.986 0.020 2 153 16 16 PRO CA C 62.570 0.400 1 154 16 16 PRO CB C 32.502 0.400 1 155 17 17 VAL H H 8.581 0.020 1 156 17 17 VAL HA H 4.772 0.020 1 157 17 17 VAL HB H 2.365 0.020 1 158 17 17 VAL HG1 H 0.865 0.020 2 159 17 17 VAL HG2 H 0.909 0.020 2 160 17 17 VAL CA C 58.365 0.400 1 161 17 17 VAL CB C 32.848 0.400 1 162 17 17 VAL CG1 C 19.275 0.400 1 163 17 17 VAL CG2 C 21.463 0.400 1 164 17 17 VAL N N 120.637 0.400 1 165 18 18 PRO HA H 4.656 0.020 1 166 18 18 PRO HB2 H 2.316 0.020 2 167 18 18 PRO HB3 H 2.076 0.020 2 168 18 18 PRO HD2 H 3.776 0.020 2 169 18 18 PRO HD3 H 3.748 0.020 2 170 18 18 PRO HG2 H 2.042 0.020 2 171 18 18 PRO HG3 H 1.867 0.020 2 172 18 18 PRO CA C 63.555 0.400 1 173 18 18 PRO CB C 31.676 0.400 1 174 18 18 PRO CD C 51.216 0.400 1 175 18 18 PRO CG C 27.618 0.400 1 176 19 19 ALA H H 8.232 0.020 1 177 19 19 ALA HA H 5.293 0.020 1 178 19 19 ALA HB H 1.160 0.020 1 179 19 19 ALA CA C 50.977 0.400 1 180 19 19 ALA CB C 23.506 0.400 1 181 19 19 ALA N N 120.703 0.400 1 182 20 20 LEU H H 8.337 0.020 1 183 20 20 LEU HA H 5.064 0.020 1 184 20 20 LEU HB2 H 1.498 0.020 2 185 20 20 LEU HB3 H 1.261 0.020 2 186 20 20 LEU HD1 H 0.906 0.020 2 187 20 20 LEU HD2 H 0.672 0.020 2 188 20 20 LEU HG H 1.536 0.020 1 189 20 20 LEU CA C 53.731 0.400 1 190 20 20 LEU CB C 45.131 0.400 1 191 20 20 LEU CD1 C 24.730 0.400 1 192 20 20 LEU CD2 C 24.100 0.400 1 193 20 20 LEU CG C 26.770 0.400 1 194 20 20 LEU N N 120.567 0.400 1 195 21 21 LEU H H 9.192 0.020 1 196 21 21 LEU HA H 4.225 0.020 1 197 21 21 LEU HB2 H 1.658 0.020 2 198 21 21 LEU HB3 H 1.658 0.020 2 199 21 21 LEU HD1 H 0.523 0.020 2 200 21 21 LEU HD2 H 0.522 0.020 2 201 21 21 LEU HG H 1.448 0.020 1 202 21 21 LEU CA C 53.832 0.400 1 203 21 21 LEU CB C 46.169 0.400 1 204 21 21 LEU CD1 C 24.730 0.400 1 205 21 21 LEU CD2 C 24.100 0.400 1 206 21 21 LEU CG C 26.770 0.400 1 207 21 21 LEU N N 119.409 0.400 1 208 22 22 ILE H H 8.227 0.020 1 209 22 22 ILE HA H 4.211 0.020 1 210 22 22 ILE HB H 0.238 0.020 1 211 22 22 ILE HD1 H 0.702 0.020 1 212 22 22 ILE HG12 H 1.255 0.020 2 213 22 22 ILE HG13 H 0.717 0.020 2 214 22 22 ILE HG2 H 0.674 0.020 1 215 22 22 ILE CA C 60.000 0.400 1 216 22 22 ILE CB C 40.245 0.400 1 217 22 22 ILE CD1 C 13.410 0.400 1 218 22 22 ILE CG1 C 28.881 0.400 1 219 22 22 ILE CG2 C 17.523 0.400 1 220 22 22 ILE N N 118.924 0.400 1 221 23 23 ARG H H 8.753 0.020 1 222 23 23 ARG HA H 5.603 0.020 1 223 23 23 ARG HB2 H 1.821 0.020 2 224 23 23 ARG HB3 H 1.636 0.020 2 225 23 23 ARG HD2 H 3.251 0.020 2 226 23 23 ARG HD3 H 3.166 0.020 2 227 23 23 ARG HE H 7.554 0.020 1 228 23 23 ARG HG2 H 1.544 0.020 2 229 23 23 ARG HG3 H 1.546 0.020 2 230 23 23 ARG CA C 53.954 0.400 1 231 23 23 ARG CB C 32.502 0.400 1 232 23 23 ARG CD C 43.100 0.400 1 233 23 23 ARG CG C 28.108 0.400 1 234 23 23 ARG N N 126.579 0.400 1 235 24 24 THR H H 9.014 0.020 1 236 24 24 THR HA H 4.757 0.020 1 237 24 24 THR HB H 4.153 0.020 1 238 24 24 THR HG2 H 1.134 0.020 1 239 24 24 THR CA C 60.000 0.400 1 240 24 24 THR CB C 69.091 0.400 1 241 24 24 THR CG2 C 19.281 0.400 1 242 24 24 THR N N 119.704 0.400 1 243 25 25 GLN H H 8.139 0.020 1 244 25 25 GLN HA H 5.133 0.020 1 245 25 25 GLN HB2 H 1.936 0.020 2 246 25 25 GLN HB3 H 1.936 0.020 2 247 25 25 GLN HE21 H 7.666 0.020 2 248 25 25 GLN HE22 H 6.772 0.020 2 249 25 25 GLN HG2 H 2.275 0.020 2 250 25 25 GLN HG3 H 2.213 0.020 2 251 25 25 GLN CA C 54.819 0.400 1 252 25 25 GLN CB C 30.426 0.400 1 253 25 25 GLN CG C 33.720 0.400 1 254 25 25 GLN N N 122.157 0.400 1 255 25 25 GLN NE2 N 111.827 0.400 1 256 26 26 THR H H 8.857 0.020 1 257 26 26 THR HA H 4.532 0.020 1 258 26 26 THR HB H 3.723 0.020 1 259 26 26 THR HG2 H 0.621 0.020 1 260 26 26 THR CA C 60.181 0.400 1 261 26 26 THR CB C 69.177 0.400 1 262 26 26 THR CG2 C 19.411 0.400 1 263 26 26 THR N N 119.487 0.400 1 264 27 27 ALA H H 8.332 0.020 1 265 27 27 ALA HA H 4.756 0.020 1 266 27 27 ALA HB H 1.404 0.020 1 267 27 27 ALA CA C 50.667 0.400 1 268 27 27 ALA CB C 21.328 0.400 1 269 27 27 ALA N N 123.158 0.400 1 270 28 28 MET H H 9.194 0.020 1 271 28 28 MET HA H 4.289 0.020 1 272 28 28 MET HB2 H 2.193 0.020 2 273 28 28 MET HB3 H 2.193 0.020 2 274 28 28 MET HE H 1.906 0.020 1 275 28 28 MET HG2 H 2.643 0.020 2 276 28 28 MET HG3 H 2.626 0.020 2 277 28 28 MET CA C 58.192 0.400 1 278 28 28 MET CB C 31.644 0.400 1 279 28 28 MET CE C 16.650 0.400 1 280 28 28 MET CG C 32.070 0.400 1 281 28 28 MET N N 121.110 0.400 1 282 29 29 SER H H 8.386 0.020 1 283 29 29 SER HA H 4.176 0.020 1 284 29 29 SER HB2 H 3.989 0.020 2 285 29 29 SER HB3 H 3.862 0.020 2 286 29 29 SER CA C 60.254 0.400 1 287 29 29 SER CB C 62.344 0.400 1 288 29 29 SER N N 111.369 0.400 1 289 30 30 GLU H H 7.274 0.020 1 290 30 30 GLU HA H 4.447 0.020 1 291 30 30 GLU HB2 H 2.239 0.020 2 292 30 30 GLU HB3 H 1.881 0.020 2 293 30 30 GLU HG2 H 2.183 0.020 2 294 30 30 GLU HG3 H 2.185 0.020 2 295 30 30 GLU CA C 55.424 0.400 1 296 30 30 GLU CB C 30.513 0.400 1 297 30 30 GLU CG C 36.367 0.400 1 298 30 30 GLU N N 119.258 0.400 1 299 31 31 LEU H H 7.214 0.020 1 300 31 31 LEU HA H 3.480 0.020 1 301 31 31 LEU HB2 H 1.466 0.020 2 302 31 31 LEU HB3 H 1.171 0.020 2 303 31 31 LEU HD1 H 0.785 0.020 2 304 31 31 LEU HD2 H 0.704 0.020 2 305 31 31 LEU HG H 1.564 0.020 1 306 31 31 LEU CA C 57.926 0.400 1 307 31 31 LEU CB C 42.434 0.400 1 308 31 31 LEU CD1 C 25.765 0.400 1 309 31 31 LEU CD2 C 24.886 0.400 1 310 31 31 LEU CG C 26.770 0.400 1 311 31 31 LEU N N 119.881 0.400 1 312 32 32 GLY H H 8.465 0.020 1 313 32 32 GLY HA2 H 3.809 0.020 2 314 32 32 GLY HA3 H 3.590 0.020 2 315 32 32 GLY CA C 47.466 0.400 1 316 32 32 GLY N N 104.605 0.400 1 317 33 33 SER H H 8.093 0.020 1 318 33 33 SER HA H 4.321 0.020 1 319 33 33 SER HB2 H 3.885 0.020 2 320 33 33 SER HB3 H 3.885 0.020 2 321 33 33 SER CA C 60.699 0.400 1 322 33 33 SER CB C 62.603 0.400 1 323 33 33 SER N N 117.090 0.400 1 324 34 34 LEU H H 7.864 0.020 1 325 34 34 LEU HA H 4.130 0.020 1 326 34 34 LEU HB2 H 1.700 0.020 2 327 34 34 LEU HB3 H 1.571 0.020 2 328 34 34 LEU HD1 H 1.029 0.020 2 329 34 34 LEU HD2 H 0.747 0.020 2 330 34 34 LEU HG H 1.541 0.020 1 331 34 34 LEU CA C 57.846 0.400 1 332 34 34 LEU CB C 42.103 0.400 1 333 34 34 LEU CD1 C 23.339 0.400 1 334 34 34 LEU CD2 C 25.878 0.400 1 335 34 34 LEU CG C 26.770 0.400 1 336 34 34 LEU N N 125.096 0.400 1 337 35 35 PHE H H 8.622 0.020 1 338 35 35 PHE HA H 3.901 0.020 1 339 35 35 PHE HB2 H 3.128 0.020 2 340 35 35 PHE HB3 H 3.013 0.020 2 341 35 35 PHE HD1 H 6.089 0.020 1 342 35 35 PHE HD2 H 6.089 0.020 1 343 35 35 PHE HE1 H 6.769 0.020 1 344 35 35 PHE HE2 H 6.769 0.020 1 345 35 35 PHE HZ H 6.977 0.020 1 346 35 35 PHE CA C 56.840 0.400 1 347 35 35 PHE CB C 36.440 0.400 1 348 35 35 PHE CD1 C 128.402 0.400 1 349 35 35 PHE CE1 C 130.480 0.400 1 350 35 35 PHE CZ C 128.741 0.400 1 351 35 35 PHE N N 119.108 0.400 1 352 36 36 GLU H H 8.026 0.020 1 353 36 36 GLU HA H 4.116 0.020 1 354 36 36 GLU HB2 H 2.244 0.020 2 355 36 36 GLU HB3 H 2.113 0.020 2 356 36 36 GLU HG2 H 2.386 0.020 2 357 36 36 GLU HG3 H 2.260 0.020 2 358 36 36 GLU CA C 60.069 0.400 1 359 36 36 GLU CB C 29.757 0.400 1 360 36 36 GLU CG C 36.010 0.400 1 361 36 36 GLU N N 118.798 0.400 1 362 37 37 ALA H H 7.621 0.020 1 363 37 37 ALA HA H 4.370 0.020 1 364 37 37 ALA HB H 1.575 0.020 1 365 37 37 ALA CA C 54.437 0.400 1 366 37 37 ALA CB C 18.843 0.400 1 367 37 37 ALA N N 118.487 0.400 1 368 38 38 GLY H H 8.667 0.020 1 369 38 38 GLY HA2 H 3.962 0.020 2 370 38 38 GLY HA3 H 3.949 0.020 2 371 38 38 GLY CA C 47.880 0.400 1 372 38 38 GLY N N 107.087 0.400 1 373 39 39 TYR H H 9.586 0.020 1 374 39 39 TYR HA H 4.656 0.020 1 375 39 39 TYR HB2 H 3.304 0.020 2 376 39 39 TYR HB3 H 3.190 0.020 2 377 39 39 TYR HD1 H 6.920 0.020 1 378 39 39 TYR HD2 H 6.920 0.020 1 379 39 39 TYR HE1 H 6.291 0.020 1 380 39 39 TYR HE2 H 6.291 0.020 1 381 39 39 TYR CA C 61.969 0.400 1 382 39 39 TYR CB C 36.496 0.400 1 383 39 39 TYR CD1 C 132.249 0.400 1 384 39 39 TYR CE1 C 117.810 0.400 1 385 39 39 TYR N N 120.685 0.400 1 386 40 40 HIS H H 7.357 0.020 1 387 40 40 HIS HA H 4.412 0.020 1 388 40 40 HIS HB2 H 3.551 0.020 2 389 40 40 HIS HB3 H 3.514 0.020 2 390 40 40 HIS CA C 60.061 0.400 1 391 40 40 HIS CB C 28.523 0.400 1 392 40 40 HIS N N 115.640 0.400 1 393 41 41 ASP H H 8.476 0.020 1 394 41 41 ASP N N 120.822 0.400 1 395 42 42 ILE HD1 H 0.908 0.020 1 396 42 42 ILE CD1 C 14.900 0.400 1 397 44 44 GLN H H 8.429 0.020 1 398 44 44 GLN HA H 4.046 0.020 1 399 44 44 GLN HE21 H 7.500 0.020 2 400 44 44 GLN HE22 H 6.736 0.020 2 401 44 44 GLN HG3 H 2.175 0.020 2 402 44 44 GLN N N 119.060 0.400 1 403 44 44 GLN NE2 N 113.252 0.400 1 404 45 45 LEU H H 7.841 0.020 1 405 45 45 LEU HA H 4.188 0.020 1 406 45 45 LEU HB2 H 1.885 0.020 2 407 45 45 LEU HB3 H 1.838 0.020 2 408 45 45 LEU HD1 H 0.950 0.020 2 409 45 45 LEU HD2 H 0.674 0.020 2 410 45 45 LEU CA C 57.780 0.400 1 411 45 45 LEU CB C 42.028 0.400 1 412 45 45 LEU CD1 C 25.401 0.400 1 413 45 45 LEU CD2 C 23.651 0.400 1 414 45 45 LEU N N 123.663 0.400 1 415 46 46 LEU H H 8.224 0.020 1 416 46 46 LEU HA H 3.755 0.020 1 417 46 46 LEU HB2 H 1.807 0.020 2 418 46 46 LEU HB3 H 1.176 0.020 2 419 46 46 LEU HD1 H 0.626 0.020 2 420 46 46 LEU HD2 H 0.468 0.020 2 421 46 46 LEU HG H 1.555 0.020 1 422 46 46 LEU CA C 57.932 0.400 1 423 46 46 LEU CB C 41.318 0.400 1 424 46 46 LEU CD1 C 24.166 0.400 1 425 46 46 LEU CD2 C 25.548 0.400 1 426 46 46 LEU CG C 26.770 0.400 1 427 46 46 LEU N N 120.232 0.400 1 428 47 47 ALA H H 8.521 0.020 1 429 47 47 ALA HA H 4.249 0.020 1 430 47 47 ALA HB H 1.508 0.020 1 431 47 47 ALA CA C 55.251 0.400 1 432 47 47 ALA CB C 17.587 0.400 1 433 47 47 ALA N N 122.562 0.400 1 434 48 48 GLY H H 8.168 0.020 1 435 48 48 GLY HA2 H 4.077 0.020 2 436 48 48 GLY HA3 H 4.006 0.020 2 437 48 48 GLY CA C 46.636 0.400 1 438 48 48 GLY N N 106.088 0.400 1 439 49 49 GLN H H 7.473 0.020 1 440 49 49 GLN HA H 4.639 0.020 1 441 49 49 GLN HB2 H 2.330 0.020 2 442 49 49 GLN HB3 H 2.046 0.020 2 443 49 49 GLN HE21 H 7.645 0.020 2 444 49 49 GLN HE22 H 6.605 0.020 2 445 49 49 GLN HG2 H 2.537 0.020 2 446 49 49 GLN HG3 H 2.372 0.020 2 447 49 49 GLN CA C 54.758 0.400 1 448 49 49 GLN CB C 30.247 0.400 1 449 49 49 GLN CG C 34.261 0.400 1 450 49 49 GLN N N 116.559 0.400 1 451 49 49 GLN NE2 N 110.406 0.400 1 452 50 50 GLY H H 8.004 0.020 1 453 50 50 GLY HA2 H 4.021 0.020 2 454 50 50 GLY HA3 H 3.920 0.020 2 455 50 50 GLY CA C 46.342 0.400 1 456 50 50 GLY N N 109.153 0.400 1 457 51 51 LYS H H 7.930 0.020 1 458 51 51 LYS HA H 4.793 0.020 1 459 51 51 LYS HB2 H 1.803 0.020 2 460 51 51 LYS HB3 H 1.437 0.020 2 461 51 51 LYS HD2 H 1.514 0.020 2 462 51 51 LYS HD3 H 1.673 0.020 2 463 51 51 LYS HE2 H 2.969 0.020 2 464 51 51 LYS HE3 H 2.966 0.020 2 465 51 51 LYS HG2 H 1.332 0.020 2 466 51 51 LYS HG3 H 1.322 0.020 2 467 51 51 LYS CA C 53.801 0.400 1 468 51 51 LYS CB C 36.653 0.400 1 469 51 51 LYS CD C 28.464 0.400 1 470 51 51 LYS CE C 42.119 0.400 1 471 51 51 LYS CG C 24.574 0.400 1 472 51 51 LYS N N 118.185 0.400 1 473 52 52 SER H H 8.303 0.020 1 474 52 52 SER HA H 4.777 0.020 1 475 52 52 SER HB2 H 3.827 0.020 2 476 52 52 SER HB3 H 3.646 0.020 2 477 52 52 SER CA C 56.065 0.400 1 478 52 52 SER CB C 64.101 0.400 1 479 52 52 SER N N 114.683 0.400 1 480 53 53 PRO HA H 4.483 0.020 1 481 53 53 PRO HB2 H 2.184 0.020 2 482 53 53 PRO HB3 H 2.087 0.020 2 483 53 53 PRO HD2 H 3.861 0.020 2 484 53 53 PRO HD3 H 3.751 0.020 2 485 53 53 PRO HG2 H 2.127 0.020 2 486 53 53 PRO HG3 H 2.068 0.020 2 487 53 53 PRO CA C 62.949 0.400 1 488 53 53 PRO CB C 33.281 0.400 1 489 53 53 PRO CD C 50.092 0.400 1 490 53 53 PRO CG C 27.140 0.400 1 491 54 54 SER H H 9.107 0.020 1 492 54 54 SER HA H 4.640 0.020 1 493 54 54 SER HB2 H 3.794 0.020 2 494 54 54 SER HB3 H 3.794 0.020 2 495 54 54 SER CA C 57.932 0.400 1 496 54 54 SER CB C 63.814 0.400 1 497 54 54 SER N N 116.685 0.400 1 498 55 55 GLY H H 7.424 0.020 1 499 55 55 GLY HA2 H 4.260 0.020 2 500 55 55 GLY HA3 H 4.083 0.020 2 501 55 55 GLY CA C 45.066 0.400 1 502 55 55 GLY N N 108.494 0.400 1 503 57 57 PRO HA H 4.455 0.020 1 504 57 57 PRO HB2 H 2.050 0.020 2 505 57 57 PRO HB3 H 2.050 0.020 2 506 57 57 PRO CA C 61.998 0.400 1 507 57 57 PRO CB C 31.378 0.400 1 508 58 58 PHE H H 8.124 0.020 1 509 58 58 PHE HA H 5.566 0.020 1 510 58 58 PHE HB2 H 3.269 0.020 2 511 58 58 PHE HB3 H 2.748 0.020 2 512 58 58 PHE HD1 H 7.101 0.020 1 513 58 58 PHE HD2 H 7.101 0.020 1 514 58 58 PHE HE1 H 6.902 0.020 1 515 58 58 PHE HE2 H 6.902 0.020 1 516 58 58 PHE CA C 54.905 0.400 1 517 58 58 PHE CB C 44.745 0.400 1 518 58 58 PHE CD1 C 132.546 0.400 1 519 58 58 PHE CE1 C 129.888 0.400 1 520 58 58 PHE N N 111.654 0.400 1 521 59 59 ALA H H 9.580 0.020 1 522 59 59 ALA HA H 5.022 0.020 1 523 59 59 ALA HB H 1.413 0.020 1 524 59 59 ALA CA C 52.573 0.400 1 525 59 59 ALA CB C 24.751 0.400 1 526 59 59 ALA N N 124.233 0.400 1 527 60 60 ARG H H 9.769 0.020 1 528 60 60 ARG HA H 5.462 0.020 1 529 60 60 ARG HB2 H 1.657 0.020 2 530 60 60 ARG HB3 H 1.657 0.020 2 531 60 60 ARG CA C 54.183 0.400 1 532 60 60 ARG CB C 34.279 0.400 1 533 60 60 ARG N N 123.535 0.400 1 534 61 61 TYR H H 9.403 0.020 1 535 61 61 TYR HA H 5.133 0.020 1 536 61 61 TYR HB2 H 2.896 0.020 2 537 61 61 TYR HB3 H 2.871 0.020 2 538 61 61 TYR HD1 H 6.948 0.020 1 539 61 61 TYR HD2 H 6.948 0.020 1 540 61 61 TYR HE1 H 6.640 0.020 1 541 61 61 TYR HE2 H 6.640 0.020 1 542 61 61 TYR CA C 56.622 0.400 1 543 61 61 TYR CB C 41.190 0.400 1 544 61 61 TYR CD1 C 133.141 0.400 1 545 61 61 TYR CE1 C 117.810 0.400 1 546 61 61 TYR N N 123.061 0.400 1 547 62 62 PHE H H 8.876 0.020 1 548 62 62 PHE HA H 4.870 0.020 1 549 62 62 PHE HB2 H 3.256 0.020 2 550 62 62 PHE HB3 H 3.162 0.020 2 551 62 62 PHE HD1 H 7.161 0.020 1 552 62 62 PHE HD2 H 7.161 0.020 1 553 62 62 PHE HE1 H 6.989 0.020 1 554 62 62 PHE HE2 H 6.989 0.020 1 555 62 62 PHE CA C 56.981 0.400 1 556 62 62 PHE CB C 39.163 0.400 1 557 62 62 PHE CD1 C 131.655 0.400 1 558 62 62 PHE CE1 C 129.096 0.400 1 559 62 62 PHE N N 121.534 0.400 1 560 63 63 GLY H H 8.256 0.020 1 561 63 63 GLY HA2 H 4.003 0.020 2 562 63 63 GLY HA3 H 3.922 0.020 2 563 63 63 GLY CA C 46.631 0.400 1 564 63 63 GLY N N 110.214 0.400 1 565 64 64 MET H H 8.332 0.020 1 566 64 64 MET HA H 4.733 0.020 1 567 64 64 MET HB2 H 1.688 0.020 2 568 64 64 MET HB3 H 1.636 0.020 2 569 64 64 MET HE H 1.564 0.020 1 570 64 64 MET HG2 H 2.097 0.020 2 571 64 64 MET HG3 H 2.071 0.020 2 572 64 64 MET CA C 56.635 0.400 1 573 64 64 MET CB C 33.167 0.400 1 574 64 64 MET CE C 16.650 0.400 1 575 64 64 MET CG C 32.070 0.400 1 576 64 64 MET N N 119.204 0.400 1 577 65 65 SER H H 7.863 0.020 1 578 65 65 SER N N 117.577 0.400 1 579 66 66 ALA HA H 4.364 0.020 1 580 66 66 ALA HB H 1.471 0.020 1 581 66 66 ALA CA C 52.743 0.400 1 582 66 66 ALA CB C 18.805 0.400 1 583 67 67 GLY H H 8.429 0.020 1 584 67 67 GLY HA2 H 4.061 0.020 2 585 67 67 GLY HA3 H 4.057 0.020 2 586 67 67 GLY CA C 45.650 0.400 1 587 67 67 GLY N N 107.558 0.400 1 588 68 68 THR H H 7.980 0.020 1 589 68 68 THR HA H 4.811 0.020 1 590 68 68 THR HB H 3.993 0.020 1 591 68 68 THR HG2 H 1.071 0.020 1 592 68 68 THR CA C 60.959 0.400 1 593 68 68 THR CB C 70.964 0.400 1 594 68 68 THR CG2 C 21.332 0.400 1 595 68 68 THR N N 116.033 0.400 1 596 69 69 PHE H H 8.451 0.020 1 597 69 69 PHE HA H 5.093 0.020 1 598 69 69 PHE HB2 H 3.256 0.020 2 599 69 69 PHE HB3 H 3.192 0.020 2 600 69 69 PHE HD1 H 7.184 0.020 1 601 69 69 PHE HD2 H 7.184 0.020 1 602 69 69 PHE HE1 H 7.172 0.020 1 603 69 69 PHE HE2 H 7.172 0.020 1 604 69 69 PHE CA C 55.943 0.400 1 605 69 69 PHE CB C 40.719 0.400 1 606 69 69 PHE CD1 C 132.480 0.400 1 607 69 69 PHE CE1 C 132.299 0.400 1 608 69 69 PHE N N 120.703 0.400 1 609 70 70 GLU H H 8.655 0.020 1 610 70 70 GLU HA H 4.967 0.020 1 611 70 70 GLU HB2 H 1.964 0.020 2 612 70 70 GLU HB3 H 1.964 0.020 2 613 70 70 GLU HG2 H 2.264 0.020 2 614 70 70 GLU HG3 H 2.091 0.020 2 615 70 70 GLU CA C 55.770 0.400 1 616 70 70 GLU CB C 31.378 0.400 1 617 70 70 GLU CG C 36.845 0.400 1 618 70 70 GLU N N 120.157 0.400 1 619 71 71 VAL H H 8.952 0.020 1 620 71 71 VAL HA H 5.676 0.020 1 621 71 71 VAL HB H 2.084 0.020 1 622 71 71 VAL HG1 H 0.957 0.020 2 623 71 71 VAL CA C 58.637 0.400 1 624 71 71 VAL CB C 36.359 0.400 1 625 71 71 VAL CG1 C 22.338 0.400 1 626 71 71 VAL N N 121.045 0.400 1 627 72 72 GLU H H 9.002 0.020 1 628 72 72 GLU N N 124.154 0.400 1 629 73 73 PHE HA H 4.740 0.020 1 630 73 73 PHE HB2 H 3.167 0.020 2 631 73 73 PHE HB3 H 3.029 0.020 2 632 73 73 PHE HD1 H 7.112 0.020 1 633 73 73 PHE HD2 H 7.112 0.020 1 634 73 73 PHE HE1 H 6.997 0.020 1 635 73 73 PHE HE2 H 6.997 0.020 1 636 73 73 PHE CA C 60.685 0.400 1 637 73 73 PHE CB C 37.231 0.400 1 638 73 73 PHE CD1 C 131.556 0.400 1 639 73 73 PHE CE1 C 129.063 0.400 1 640 74 74 GLY H H 8.831 0.020 1 641 74 74 GLY HA2 H 4.726 0.020 2 642 74 74 GLY HA3 H 4.001 0.020 2 643 74 74 GLY CA C 46.082 0.400 1 644 74 74 GLY N N 103.935 0.400 1 645 75 75 PHE H H 8.426 0.020 1 646 75 75 PHE HA H 5.081 0.020 1 647 75 75 PHE HB2 H 3.215 0.020 2 648 75 75 PHE HB3 H 2.423 0.020 2 649 75 75 PHE HD1 H 7.316 0.020 1 650 75 75 PHE HD2 H 7.316 0.020 1 651 75 75 PHE HE1 H 6.941 0.020 1 652 75 75 PHE HE2 H 6.941 0.020 1 653 75 75 PHE CA C 54.905 0.400 1 654 75 75 PHE CB C 43.487 0.400 1 655 75 75 PHE CD1 C 131.482 0.400 1 656 75 75 PHE CD2 C 131.482 0.400 1 657 75 75 PHE CE1 C 130.600 0.400 1 658 75 75 PHE N N 115.039 0.400 1 659 76 76 PRO HA H 5.241 0.020 1 660 76 76 PRO HB2 H 2.197 0.020 2 661 76 76 PRO HB3 H 1.901 0.020 2 662 76 76 PRO HD2 H 3.783 0.020 2 663 76 76 PRO HD3 H 3.767 0.020 2 664 76 76 PRO HG2 H 2.084 0.020 2 665 76 76 PRO HG3 H 2.072 0.020 2 666 76 76 PRO CA C 62.084 0.400 1 667 76 76 PRO CB C 31.637 0.400 1 668 76 76 PRO CD C 50.081 0.400 1 669 76 76 PRO CG C 27.140 0.400 1 670 77 77 VAL H H 8.437 0.020 1 671 77 77 VAL HA H 4.675 0.020 1 672 77 77 VAL HB H 2.165 0.020 1 673 77 77 VAL HG1 H 0.904 0.020 2 674 77 77 VAL HG2 H 0.608 0.020 2 675 77 77 VAL CA C 59.922 0.400 1 676 77 77 VAL CB C 36.481 0.400 1 677 77 77 VAL CG1 C 22.981 0.400 1 678 77 77 VAL CG2 C 18.318 0.400 1 679 77 77 VAL N N 116.090 0.400 1 680 78 78 GLU H H 8.152 0.020 1 681 78 78 GLU HA H 4.367 0.020 1 682 78 78 GLU HB2 H 2.079 0.020 2 683 78 78 GLU HB3 H 1.932 0.020 2 684 78 78 GLU HG2 H 2.318 0.020 2 685 78 78 GLU HG3 H 2.317 0.020 2 686 78 78 GLU CA C 55.698 0.400 1 687 78 78 GLU CB C 31.089 0.400 1 688 78 78 GLU CG C 36.326 0.400 1 689 78 78 GLU N N 119.654 0.400 1 690 79 79 GLY H H 8.331 0.020 1 691 79 79 GLY HA2 H 3.968 0.020 2 692 79 79 GLY HA3 H 3.821 0.020 2 693 79 79 GLY CA C 45.409 0.400 1 694 79 79 GLY N N 106.634 0.400 1 695 80 80 GLY H H 8.468 0.020 1 696 80 80 GLY HA2 H 4.047 0.020 2 697 80 80 GLY HA3 H 3.760 0.020 2 698 80 80 GLY CA C 45.650 0.400 1 699 80 80 GLY N N 109.606 0.400 1 700 81 81 VAL H H 7.447 0.020 1 701 81 81 VAL HA H 4.146 0.020 1 702 81 81 VAL HB H 1.921 0.020 1 703 81 81 VAL HG1 H 0.807 0.020 2 704 81 81 VAL HG2 H 0.803 0.020 2 705 81 81 VAL CA C 61.652 0.400 1 706 81 81 VAL CB C 32.856 0.400 1 707 81 81 VAL CG1 C 21.293 0.400 1 708 81 81 VAL CG2 C 21.310 0.400 1 709 81 81 VAL N N 118.549 0.400 1 710 82 82 GLU H H 8.587 0.020 1 711 82 82 GLU HA H 4.501 0.020 1 712 82 82 GLU HB2 H 2.125 0.020 2 713 82 82 GLU HB3 H 1.846 0.020 2 714 82 82 GLU HG2 H 2.333 0.020 2 715 82 82 GLU HG3 H 2.251 0.020 2 716 82 82 GLU CA C 55.078 0.400 1 717 82 82 GLU CB C 32.416 0.400 1 718 82 82 GLU CG C 36.010 0.400 1 719 82 82 GLU N N 124.826 0.400 1 720 83 83 GLY H H 8.344 0.020 1 721 83 83 GLY HA2 H 4.037 0.020 2 722 83 83 GLY HA3 H 3.675 0.020 2 723 83 83 GLY CA C 43.535 0.400 1 724 83 83 GLY N N 106.540 0.400 1 725 84 84 SER H H 8.058 0.020 1 726 84 84 SER HA H 4.383 0.020 1 727 84 84 SER HB2 H 3.944 0.020 2 728 84 84 SER HB3 H 3.584 0.020 2 729 84 84 SER CA C 58.797 0.400 1 730 84 84 SER CB C 64.247 0.400 1 731 84 84 SER N N 112.042 0.400 1 732 85 85 GLY H H 9.089 0.020 1 733 85 85 GLY HA2 H 4.016 0.020 2 734 85 85 GLY HA3 H 3.695 0.020 2 735 85 85 GLY CA C 46.861 0.400 1 736 85 85 GLY N N 118.203 0.400 1 737 86 86 ARG H H 8.856 0.020 1 738 86 86 ARG HA H 4.356 0.020 1 739 86 86 ARG HB2 H 2.112 0.020 2 740 86 86 ARG HB3 H 1.835 0.020 2 741 86 86 ARG HD2 H 3.212 0.020 2 742 86 86 ARG HD3 H 3.129 0.020 2 743 86 86 ARG HG2 H 1.405 0.020 2 744 86 86 ARG HG3 H 1.400 0.020 2 745 86 86 ARG CA C 56.462 0.400 1 746 86 86 ARG CB C 29.734 0.400 1 747 86 86 ARG CD C 43.100 0.400 1 748 86 86 ARG CG C 25.852 0.400 1 749 86 86 ARG N N 125.141 0.400 1 750 87 87 VAL H H 7.881 0.020 1 751 87 87 VAL HA H 4.303 0.020 1 752 87 87 VAL HB H 2.227 0.020 1 753 87 87 VAL HG1 H 0.879 0.020 2 754 87 87 VAL HG2 H 0.841 0.020 2 755 87 87 VAL CA C 61.738 0.400 1 756 87 87 VAL CB C 30.945 0.400 1 757 87 87 VAL CG1 C 20.809 0.400 1 758 87 87 VAL CG2 C 20.845 0.400 1 759 87 87 VAL N N 121.092 0.400 1 760 88 88 VAL H H 9.427 0.020 1 761 88 88 VAL HA H 4.848 0.020 1 762 88 88 VAL HB H 2.282 0.020 1 763 88 88 VAL HG1 H 0.890 0.020 2 764 88 88 VAL HG2 H 0.748 0.020 2 765 88 88 VAL CA C 58.508 0.400 1 766 88 88 VAL CB C 34.766 0.400 1 767 88 88 VAL CG1 C 20.793 0.400 1 768 88 88 VAL CG2 C 18.349 0.400 1 769 88 88 VAL N N 122.572 0.400 1 770 89 89 THR H H 8.045 0.020 1 771 89 89 THR HA H 4.842 0.020 1 772 89 89 THR HB H 4.420 0.020 1 773 89 89 THR HG2 H 1.248 0.020 1 774 89 89 THR CA C 60.441 0.400 1 775 89 89 THR CB C 69.869 0.400 1 776 89 89 THR CG2 C 22.160 0.400 1 777 89 89 THR N N 110.202 0.400 1 778 90 90 GLY H H 8.236 0.020 1 779 90 90 GLY HA2 H 4.238 0.020 2 780 90 90 GLY HA3 H 3.783 0.020 2 781 90 90 GLY CA C 45.404 0.400 1 782 90 90 GLY N N 109.322 0.400 1 783 91 91 LEU H H 8.297 0.020 1 784 91 91 LEU HA H 5.283 0.020 1 785 91 91 LEU HB2 H 1.464 0.020 2 786 91 91 LEU HB3 H 1.456 0.020 2 787 91 91 LEU HD1 H 0.753 0.020 2 788 91 91 LEU HD2 H 0.693 0.020 2 789 91 91 LEU HG H 1.540 0.020 1 790 91 91 LEU CA C 53.089 0.400 1 791 91 91 LEU CB C 46.836 0.400 1 792 91 91 LEU CD1 C 22.016 0.400 1 793 91 91 LEU CD2 C 23.122 0.400 1 794 91 91 LEU CG C 26.770 0.400 1 795 91 91 LEU N N 124.145 0.400 1 796 92 92 THR H H 8.450 0.020 1 797 92 92 THR N N 111.353 0.400 1 798 93 93 PRO HA H 3.903 0.020 1 799 93 93 PRO HB2 H 1.820 0.020 2 800 93 93 PRO HB3 H 0.905 0.020 2 801 93 93 PRO HD2 H 3.640 0.020 2 802 93 93 PRO HD3 H 3.630 0.020 2 803 93 93 PRO HG2 H 1.930 0.020 2 804 93 93 PRO HG3 H 1.920 0.020 2 805 93 93 PRO CA C 63.555 0.400 1 806 93 93 PRO CB C 32.070 0.400 1 807 93 93 PRO CD C 49.981 0.400 1 808 93 93 PRO CG C 27.140 0.400 1 809 94 94 SER H H 7.891 0.020 1 810 94 94 SER HA H 4.502 0.020 1 811 94 94 SER HB2 H 3.590 0.020 2 812 94 94 SER HB3 H 3.412 0.020 2 813 94 94 SER CA C 55.251 0.400 1 814 94 94 SER CB C 65.804 0.400 1 815 94 94 SER N N 112.249 0.400 1 816 95 95 GLY H H 8.181 0.020 1 817 95 95 GLY HA2 H 4.548 0.020 2 818 95 95 GLY HA3 H 3.787 0.020 2 819 95 95 GLY CA C 43.639 0.400 1 820 95 95 GLY N N 109.438 0.400 1 821 96 96 LYS H H 8.550 0.020 1 822 96 96 LYS HA H 4.790 0.020 1 823 96 96 LYS HB2 H 1.664 0.020 2 824 96 96 LYS HB3 H 1.497 0.020 2 825 96 96 LYS HD2 H 1.551 0.020 2 826 96 96 LYS HD3 H 1.550 0.020 2 827 96 96 LYS HE2 H 2.930 0.020 2 828 96 96 LYS HE3 H 2.931 0.020 2 829 96 96 LYS HG2 H 1.549 0.020 2 830 96 96 LYS HG3 H 1.277 0.020 2 831 96 96 LYS CA C 56.116 0.400 1 832 96 96 LYS CB C 34.631 0.400 1 833 96 96 LYS CD C 28.780 0.400 1 834 96 96 LYS CE C 41.780 0.400 1 835 96 96 LYS CG C 25.823 0.400 1 836 96 96 LYS N N 120.135 0.400 1 837 97 97 ALA H H 8.962 0.020 1 838 97 97 ALA HA H 5.024 0.020 1 839 97 97 ALA HB H 1.176 0.020 1 840 97 97 ALA CA C 50.753 0.400 1 841 97 97 ALA CB C 23.939 0.400 1 842 97 97 ALA N N 122.610 0.400 1 843 98 98 ALA H H 8.471 0.020 1 844 98 98 ALA HA H 4.685 0.020 1 845 98 98 ALA HB H 1.352 0.020 1 846 98 98 ALA CA C 50.580 0.400 1 847 98 98 ALA CB C 21.178 0.400 1 848 98 98 ALA N N 123.489 0.400 1 849 99 99 SER H H 9.091 0.020 1 850 99 99 SER HA H 5.692 0.020 1 851 99 99 SER HB2 H 3.256 0.020 2 852 99 99 SER HB3 H 3.256 0.020 2 853 99 99 SER CA C 56.289 0.400 1 854 99 99 SER CB C 66.409 0.400 1 855 99 99 SER N N 118.558 0.400 1 856 100 100 SER H H 8.962 0.020 1 857 100 100 SER HA H 4.624 0.020 1 858 100 100 SER HB2 H 3.632 0.020 2 859 100 100 SER HB3 H 3.028 0.020 2 860 100 100 SER CA C 57.759 0.400 1 861 100 100 SER CB C 66.150 0.400 1 862 100 100 SER N N 120.075 0.400 1 863 101 101 LEU H H 8.596 0.020 1 864 101 101 LEU HA H 4.588 0.020 1 865 101 101 LEU HB2 H 1.901 0.020 2 866 101 101 LEU HB3 H 1.311 0.020 2 867 101 101 LEU HD1 H 0.821 0.020 2 868 101 101 LEU HD2 H 0.774 0.020 2 869 101 101 LEU HG H 1.623 0.020 1 870 101 101 LEU CA C 54.386 0.400 1 871 101 101 LEU CB C 42.884 0.400 1 872 101 101 LEU CD1 C 24.730 0.400 1 873 101 101 LEU CD2 C 23.839 0.400 1 874 101 101 LEU CG C 26.770 0.400 1 875 101 101 LEU N N 127.641 0.400 1 876 102 102 TYR H H 9.070 0.020 1 877 102 102 TYR HA H 4.726 0.020 1 878 102 102 TYR HB2 H 3.065 0.020 2 879 102 102 TYR HB3 H 2.710 0.020 2 880 102 102 TYR HD1 H 7.075 0.020 1 881 102 102 TYR HD2 H 7.075 0.020 1 882 102 102 TYR HE1 H 6.598 0.020 1 883 102 102 TYR HE2 H 6.598 0.020 1 884 102 102 TYR CA C 57.067 0.400 1 885 102 102 TYR CB C 41.002 0.400 1 886 102 102 TYR CD1 C 133.248 0.400 1 887 102 102 TYR CE1 C 117.810 0.400 1 888 102 102 TYR N N 129.582 0.400 1 889 103 103 ILE H H 7.164 0.020 1 890 103 103 ILE HA H 4.829 0.020 1 891 103 103 ILE HB H 1.470 0.020 1 892 103 103 ILE HD1 H 0.763 0.020 1 893 103 103 ILE HG12 H 1.300 0.020 2 894 103 103 ILE HG13 H 1.240 0.020 2 895 103 103 ILE HG2 H 0.533 0.020 1 896 103 103 ILE CA C 59.094 0.400 1 897 103 103 ILE CB C 39.451 0.400 1 898 103 103 ILE CD1 C 13.410 0.400 1 899 103 103 ILE CG1 C 27.650 0.400 1 900 103 103 ILE CG2 C 17.121 0.400 1 901 103 103 ILE N N 127.489 0.400 1 902 104 104 GLY H H 8.592 0.020 1 903 104 104 GLY HA2 H 4.256 0.020 2 904 104 104 GLY HA3 H 3.786 0.020 2 905 104 104 GLY CA C 44.179 0.400 1 906 104 104 GLY N N 115.080 0.400 1 907 106 106 TYR HA H 5.052 0.020 1 908 106 106 TYR HB2 H 3.578 0.020 2 909 106 106 TYR HB3 H 2.781 0.020 2 910 106 106 TYR HD1 H 6.355 0.020 1 911 106 106 TYR HD2 H 6.355 0.020 1 912 106 106 TYR HE1 H 6.760 0.020 1 913 106 106 TYR HE2 H 6.760 0.020 1 914 106 106 TYR CA C 54.905 0.400 1 915 106 106 TYR CB C 41.065 0.400 1 916 106 106 TYR CD1 C 132.540 0.400 1 917 106 106 TYR CE1 C 117.810 0.400 1 918 107 107 GLY H H 6.921 0.020 1 919 107 107 GLY HA2 H 5.055 0.020 2 920 107 107 GLY HA3 H 4.747 0.020 2 921 107 107 GLY CA C 45.996 0.400 1 922 107 107 GLY N N 105.044 0.400 1 923 108 108 GLU H H 7.194 0.020 1 924 108 108 GLU HA H 4.737 0.020 1 925 108 108 GLU HB2 H 2.646 0.020 2 926 108 108 GLU HB3 H 1.799 0.020 2 927 108 108 GLU HG2 H 2.239 0.020 2 928 108 108 GLU HG3 H 2.258 0.020 2 929 108 108 GLU CA C 55.101 0.400 1 930 108 108 GLU CB C 30.182 0.400 1 931 108 108 GLU CG C 36.162 0.400 1 932 108 108 GLU N N 117.953 0.400 1 933 109 109 ILE H H 7.211 0.020 1 934 109 109 ILE HA H 2.991 0.020 1 935 109 109 ILE HB H 1.501 0.020 1 936 109 109 ILE HD1 H 0.801 0.020 1 937 109 109 ILE HG12 H 1.004 0.020 2 938 109 109 ILE HG13 H 0.981 0.020 2 939 109 109 ILE HG2 H 0.721 0.020 1 940 109 109 ILE CA C 64.297 0.400 1 941 109 109 ILE CB C 40.081 0.400 1 942 109 109 ILE CD1 C 15.011 0.400 1 943 109 109 ILE CG1 C 27.197 0.400 1 944 109 109 ILE CG2 C 16.661 0.400 1 945 109 109 ILE N N 121.252 0.400 1 946 110 110 GLU H H 8.604 0.020 1 947 110 110 GLU HA H 3.967 0.020 1 948 110 110 GLU HB2 H 2.010 0.020 2 949 110 110 GLU HB3 H 1.882 0.020 2 950 110 110 GLU HG2 H 2.198 0.020 2 951 110 110 GLU HG3 H 2.198 0.020 2 952 110 110 GLU CA C 59.403 0.400 1 953 110 110 GLU CB C 28.686 0.400 1 954 110 110 GLU CG C 35.900 0.400 1 955 110 110 GLU N N 122.732 0.400 1 956 111 111 ALA H H 7.628 0.020 1 957 111 111 ALA HA H 4.224 0.020 1 958 111 111 ALA HB H 1.692 0.020 1 959 111 111 ALA CA C 55.104 0.400 1 960 111 111 ALA CB C 19.210 0.400 1 961 111 111 ALA N N 118.591 0.400 1 962 112 112 VAL H H 7.405 0.020 1 963 112 112 VAL HA H 3.364 0.020 1 964 112 112 VAL HB H 1.408 0.020 1 965 112 112 VAL HG1 H 0.628 0.020 2 966 112 112 VAL HG2 H 0.426 0.020 2 967 112 112 VAL CA C 63.382 0.400 1 968 112 112 VAL CB C 31.118 0.400 1 969 112 112 VAL CG1 C 20.355 0.400 1 970 112 112 VAL CG2 C 23.405 0.400 1 971 112 112 VAL N N 117.751 0.400 1 972 113 113 TYR H H 6.989 0.020 1 973 113 113 TYR HA H 4.630 0.020 1 974 113 113 TYR HB2 H 2.916 0.020 2 975 113 113 TYR HB3 H 2.899 0.020 2 976 113 113 TYR HD1 H 6.877 0.020 1 977 113 113 TYR HD2 H 6.877 0.020 1 978 113 113 TYR HE1 H 6.453 0.020 1 979 113 113 TYR HE2 H 6.453 0.020 1 980 113 113 TYR CA C 64.129 0.400 1 981 113 113 TYR CB C 37.925 0.400 1 982 113 113 TYR CD1 C 131.878 0.400 1 983 113 113 TYR CE1 C 118.124 0.400 1 984 113 113 TYR N N 123.252 0.400 1 985 114 114 ASP H H 8.411 0.020 1 986 114 114 ASP HA H 4.361 0.020 1 987 114 114 ASP HB2 H 2.753 0.020 2 988 114 114 ASP HB3 H 2.647 0.020 2 989 114 114 ASP CA C 57.413 0.400 1 990 114 114 ASP CB C 40.460 0.400 1 991 114 114 ASP N N 118.455 0.400 1 992 115 115 ALA H H 7.305 0.020 1 993 115 115 ALA HA H 4.179 0.020 1 994 115 115 ALA HB H 1.455 0.020 1 995 115 115 ALA CA C 55.251 0.400 1 996 115 115 ALA CB C 18.663 0.400 1 997 115 115 ALA N N 121.563 0.400 1 998 116 116 LEU H H 8.689 0.020 1 999 116 116 LEU HA H 4.228 0.020 1 1000 116 116 LEU HB2 H 1.975 0.020 2 1001 116 116 LEU HB3 H 1.165 0.020 2 1002 116 116 LEU HD1 H 0.535 0.020 2 1003 116 116 LEU HD2 H 0.514 0.020 2 1004 116 116 LEU HG H 1.508 0.020 1 1005 116 116 LEU CA C 57.932 0.400 1 1006 116 116 LEU CB C 43.660 0.400 1 1007 116 116 LEU CD1 C 24.730 0.400 1 1008 116 116 LEU CD2 C 24.100 0.400 1 1009 116 116 LEU CG C 26.770 0.400 1 1010 116 116 LEU N N 120.988 0.400 1 1011 117 117 MET H H 8.720 0.020 1 1012 117 117 MET HA H 3.972 0.020 1 1013 117 117 MET HB2 H 2.207 0.020 2 1014 117 117 MET HB3 H 2.033 0.020 2 1015 117 117 MET HE H 2.128 0.020 1 1016 117 117 MET HG2 H 2.902 0.020 2 1017 117 117 MET HG3 H 2.885 0.020 2 1018 117 117 MET CA C 59.125 0.400 1 1019 117 117 MET CB C 35.703 0.400 1 1020 117 117 MET CE C 17.088 0.400 1 1021 117 117 MET CG C 33.403 0.400 1 1022 117 117 MET N N 117.988 0.400 1 1023 118 118 LYS H H 7.824 0.020 1 1024 118 118 LYS HA H 4.191 0.020 1 1025 118 118 LYS HB2 H 2.050 0.020 2 1026 118 118 LYS HB3 H 1.963 0.020 2 1027 118 118 LYS HD2 H 1.784 0.020 2 1028 118 118 LYS HD3 H 1.740 0.020 2 1029 118 118 LYS HE2 H 3.067 0.020 2 1030 118 118 LYS HE3 H 3.062 0.020 2 1031 118 118 LYS HG2 H 1.611 0.020 2 1032 118 118 LYS HG3 H 1.519 0.020 2 1033 118 118 LYS CA C 59.155 0.400 1 1034 118 118 LYS CB C 32.258 0.400 1 1035 118 118 LYS CD C 28.780 0.400 1 1036 118 118 LYS CE C 42.285 0.400 1 1037 118 118 LYS CG C 25.162 0.400 1 1038 118 118 LYS N N 120.157 0.400 1 1039 119 119 TRP H H 8.358 0.020 1 1040 119 119 TRP HA H 4.228 0.020 1 1041 119 119 TRP HB2 H 3.476 0.020 2 1042 119 119 TRP HB3 H 3.467 0.020 2 1043 119 119 TRP HD1 H 7.405 0.020 1 1044 119 119 TRP HE1 H 10.180 0.020 1 1045 119 119 TRP HE3 H 7.378 0.020 1 1046 119 119 TRP HH2 H 7.111 0.020 1 1047 119 119 TRP HZ2 H 7.480 0.020 1 1048 119 119 TRP HZ3 H 6.746 0.020 1 1049 119 119 TRP CA C 62.583 0.400 1 1050 119 119 TRP CB C 29.840 0.400 1 1051 119 119 TRP CD1 C 127.331 0.400 1 1052 119 119 TRP CE3 C 118.952 0.400 1 1053 119 119 TRP CH2 C 123.806 0.400 1 1054 119 119 TRP CZ2 C 114.305 0.400 1 1055 119 119 TRP CZ3 C 120.553 0.400 1 1056 119 119 TRP N N 120.824 0.400 1 1057 119 119 TRP NE1 N 130.292 0.400 1 1058 120 120 VAL H H 9.128 0.020 1 1059 120 120 VAL HA H 3.569 0.020 1 1060 120 120 VAL HB H 2.499 0.020 1 1061 120 120 VAL HG1 H 1.374 0.020 2 1062 120 120 VAL HG2 H 1.044 0.020 2 1063 120 120 VAL CA C 67.793 0.400 1 1064 120 120 VAL CB C 31.551 0.400 1 1065 120 120 VAL CG1 C 24.757 0.400 1 1066 120 120 VAL CG2 C 22.011 0.400 1 1067 120 120 VAL N N 120.314 0.400 1 1068 121 121 ASP H H 7.829 0.020 1 1069 121 121 ASP HA H 4.494 0.020 1 1070 121 121 ASP HB2 H 2.822 0.020 2 1071 121 121 ASP HB3 H 2.882 0.020 2 1072 121 121 ASP CA C 57.327 0.400 1 1073 121 121 ASP CB C 41.065 0.400 1 1074 121 121 ASP N N 120.137 0.400 1 1075 122 122 ASP H H 8.788 0.020 1 1076 122 122 ASP HA H 4.276 0.020 1 1077 122 122 ASP HB2 H 2.660 0.020 2 1078 122 122 ASP HB3 H 2.454 0.020 2 1079 122 122 ASP CA C 56.808 0.400 1 1080 122 122 ASP CB C 40.460 0.400 1 1081 122 122 ASP N N 120.075 0.400 1 1082 123 123 ASN H H 7.356 0.020 1 1083 123 123 ASN HA H 4.182 0.020 1 1084 123 123 ASN HB2 H 1.683 0.020 2 1085 123 123 ASN HB3 H 1.451 0.020 2 1086 123 123 ASN HD21 H 6.210 0.020 2 1087 123 123 ASN HD22 H 5.892 0.020 2 1088 123 123 ASN CA C 53.826 0.400 1 1089 123 123 ASN CB C 39.770 0.400 1 1090 123 123 ASN N N 113.986 0.400 1 1091 123 123 ASN ND2 N 113.721 0.400 1 1092 124 124 GLY H H 7.555 0.020 1 1093 124 124 GLY HA2 H 3.826 0.020 2 1094 124 124 GLY HA3 H 3.688 0.020 2 1095 124 124 GLY CA C 46.633 0.400 1 1096 124 124 GLY N N 107.572 0.400 1 1097 125 125 PHE H H 7.558 0.020 1 1098 125 125 PHE HA H 4.994 0.020 1 1099 125 125 PHE HB2 H 3.439 0.020 2 1100 125 125 PHE HB3 H 2.795 0.020 2 1101 125 125 PHE HD1 H 7.026 0.020 1 1102 125 125 PHE HD2 H 7.026 0.020 1 1103 125 125 PHE HE1 H 7.122 0.020 1 1104 125 125 PHE HE2 H 7.122 0.020 1 1105 125 125 PHE CA C 55.703 0.400 1 1106 125 125 PHE CB C 41.642 0.400 1 1107 125 125 PHE CD1 C 130.655 0.400 1 1108 125 125 PHE CE1 C 130.480 0.400 1 1109 125 125 PHE N N 117.637 0.400 1 1110 126 126 ASP H H 8.892 0.020 1 1111 126 126 ASP HA H 5.061 0.020 1 1112 126 126 ASP HB2 H 2.734 0.020 2 1113 126 126 ASP HB3 H 2.647 0.020 2 1114 126 126 ASP CA C 53.089 0.400 1 1115 126 126 ASP CB C 43.747 0.400 1 1116 126 126 ASP N N 119.043 0.400 1 1117 127 127 LEU H H 8.789 0.020 1 1118 127 127 LEU HA H 4.679 0.020 1 1119 127 127 LEU HB2 H 1.865 0.020 2 1120 127 127 LEU HB3 H 1.704 0.020 2 1121 127 127 LEU HD1 H 1.009 0.020 2 1122 127 127 LEU HD2 H 1.019 0.020 2 1123 127 127 LEU HG H 1.540 0.020 1 1124 127 127 LEU CA C 54.732 0.400 1 1125 127 127 LEU CB C 42.709 0.400 1 1126 127 127 LEU CD1 C 24.730 0.400 1 1127 127 127 LEU CD2 C 24.886 0.400 1 1128 127 127 LEU CG C 26.770 0.400 1 1129 127 127 LEU N N 122.545 0.400 1 1130 128 128 SER H H 8.498 0.020 1 1131 128 128 SER HA H 4.290 0.020 1 1132 128 128 SER HB2 H 3.331 0.020 2 1133 128 128 SER HB3 H 3.331 0.020 2 1134 128 128 SER CA C 58.624 0.400 1 1135 128 128 SER CB C 64.420 0.400 1 1136 128 128 SER N N 115.792 0.400 1 1137 129 129 GLY H H 8.610 0.020 1 1138 129 129 GLY HA2 H 4.606 0.020 2 1139 129 129 GLY HA3 H 3.751 0.020 2 1140 129 129 GLY CA C 45.044 0.400 1 1141 129 129 GLY N N 111.079 0.400 1 1142 130 130 GLU H H 7.713 0.020 1 1143 130 130 GLU HA H 5.128 0.020 1 1144 130 130 GLU HB2 H 1.729 0.020 2 1145 130 130 GLU HB3 H 1.729 0.020 2 1146 130 130 GLU HG2 H 1.987 0.020 2 1147 130 130 GLU HG3 H 1.862 0.020 2 1148 130 130 GLU CA C 55.251 0.400 1 1149 130 130 GLU CB C 32.156 0.400 1 1150 130 130 GLU CG C 36.307 0.400 1 1151 130 130 GLU N N 120.251 0.400 1 1152 131 131 ALA H H 8.988 0.020 1 1153 131 131 ALA HA H 5.375 0.020 1 1154 131 131 ALA HB H 1.654 0.020 1 1155 131 131 ALA CA C 50.667 0.400 1 1156 131 131 ALA CB C 23.420 0.400 1 1157 131 131 ALA N N 129.016 0.400 1 1158 132 132 TYR H H 9.327 0.020 1 1159 132 132 TYR HA H 5.889 0.020 1 1160 132 132 TYR HB2 H 3.259 0.020 2 1161 132 132 TYR HB3 H 3.259 0.020 2 1162 132 132 TYR HD1 H 6.848 0.020 1 1163 132 132 TYR HD2 H 6.848 0.020 1 1164 132 132 TYR HE1 H 6.429 0.020 1 1165 132 132 TYR HE2 H 6.429 0.020 1 1166 132 132 TYR CA C 54.213 0.400 1 1167 132 132 TYR CB C 41.584 0.400 1 1168 132 132 TYR CD1 C 131.342 0.400 1 1169 132 132 TYR CE1 C 118.157 0.400 1 1170 132 132 TYR N N 123.752 0.400 1 1171 133 133 GLU H H 9.661 0.020 1 1172 133 133 GLU HA H 5.089 0.020 1 1173 133 133 GLU HB2 H 1.540 0.020 2 1174 133 133 GLU HB3 H 1.413 0.020 2 1175 133 133 GLU HG2 H 2.060 0.020 2 1176 133 133 GLU HG3 H 2.051 0.020 2 1177 133 133 GLU CA C 54.135 0.400 1 1178 133 133 GLU CB C 31.949 0.400 1 1179 133 133 GLU CG C 36.010 0.400 1 1180 133 133 GLU N N 129.538 0.400 1 1181 134 134 ILE H H 8.303 0.020 1 1182 134 134 ILE HA H 3.993 0.020 1 1183 134 134 ILE HB H 1.253 0.020 1 1184 134 134 ILE HD1 H 0.573 0.020 1 1185 134 134 ILE HG12 H 0.480 0.020 2 1186 134 134 ILE HG13 H 0.465 0.020 2 1187 134 134 ILE HG2 H 0.761 0.020 1 1188 134 134 ILE CA C 60.232 0.400 1 1189 134 134 ILE CB C 40.936 0.400 1 1190 134 134 ILE CD1 C 13.410 0.400 1 1191 134 134 ILE CG1 C 27.650 0.400 1 1192 134 134 ILE CG2 C 18.398 0.400 1 1193 134 134 ILE N N 119.146 0.400 1 1194 135 135 TYR H H 8.321 0.020 1 1195 135 135 TYR HA H 5.025 0.020 1 1196 135 135 TYR HB2 H 3.241 0.020 2 1197 135 135 TYR HB3 H 2.727 0.020 2 1198 135 135 TYR HD1 H 6.995 0.020 1 1199 135 135 TYR HD2 H 6.995 0.020 1 1200 135 135 TYR HE1 H 6.694 0.020 1 1201 135 135 TYR HE2 H 6.694 0.020 1 1202 135 135 TYR CA C 56.721 0.400 1 1203 135 135 TYR CB C 35.789 0.400 1 1204 135 135 TYR CD1 C 132.406 0.400 1 1205 135 135 TYR CE1 C 118.861 0.400 1 1206 135 135 TYR N N 129.141 0.400 1 1207 136 136 LEU H H 7.441 0.020 1 1208 136 136 LEU HA H 3.873 0.020 1 1209 136 136 LEU HB2 H 1.674 0.020 2 1210 136 136 LEU HB3 H 1.443 0.020 2 1211 136 136 LEU HD1 H 0.802 0.020 2 1212 136 136 LEU HD2 H 0.760 0.020 2 1213 136 136 LEU HG H 1.540 0.020 1 1214 136 136 LEU CA C 58.365 0.400 1 1215 136 136 LEU CB C 42.276 0.400 1 1216 136 136 LEU CD1 C 24.730 0.400 1 1217 136 136 LEU CD2 C 18.394 0.400 1 1218 136 136 LEU CG C 26.770 0.400 1 1219 136 136 LEU N N 122.467 0.400 1 1220 137 137 ASP H H 7.495 0.020 1 1221 137 137 ASP HA H 5.104 0.020 1 1222 137 137 ASP HB2 H 2.859 0.020 2 1223 137 137 ASP HB3 H 2.495 0.020 2 1224 137 137 ASP CA C 52.570 0.400 1 1225 137 137 ASP CB C 45.972 0.400 1 1226 137 137 ASP N N 113.089 0.400 1 1227 138 138 ASN H H 8.969 0.020 1 1228 138 138 ASN HA H 5.086 0.020 1 1229 138 138 ASN HB2 H 2.971 0.020 2 1230 138 138 ASN HB3 H 2.863 0.020 2 1231 138 138 ASN HD21 H 7.850 0.020 2 1232 138 138 ASN HD22 H 7.180 0.020 2 1233 138 138 ASN CA C 57.846 0.400 1 1234 138 138 ASN CB C 39.595 0.400 1 1235 138 138 ASN N N 119.704 0.400 1 1236 139 139 PRO HA H 4.503 0.020 1 1237 139 139 PRO HB2 H 2.308 0.020 2 1238 139 139 PRO HB3 H 2.114 0.020 2 1239 139 139 PRO HD2 H 3.638 0.020 2 1240 139 139 PRO HD3 H 3.628 0.020 2 1241 139 139 PRO HG2 H 1.930 0.020 2 1242 139 139 PRO HG3 H 1.920 0.020 2 1243 139 139 PRO CA C 64.160 0.400 1 1244 139 139 PRO CB C 31.810 0.400 1 1245 139 139 PRO CD C 49.981 0.400 1 1246 139 139 PRO CG C 26.516 0.400 1 1247 140 140 ALA H H 8.230 0.020 1 1248 140 140 ALA HA H 4.295 0.020 1 1249 140 140 ALA HB H 1.422 0.020 1 1250 140 140 ALA CA C 53.520 0.400 1 1251 140 140 ALA CB C 18.749 0.400 1 1252 140 140 ALA N N 119.543 0.400 1 1253 141 141 GLU H H 7.532 0.020 1 1254 141 141 GLU HA H 4.546 0.020 1 1255 141 141 GLU HB2 H 2.201 0.020 2 1256 141 141 GLU HB3 H 1.887 0.020 2 1257 141 141 GLU HG2 H 2.153 0.020 2 1258 141 141 GLU HG3 H 2.144 0.020 2 1259 141 141 GLU CA C 55.379 0.400 1 1260 141 141 GLU CB C 32.386 0.400 1 1261 141 141 GLU CG C 35.465 0.400 1 1262 141 141 GLU N N 113.667 0.400 1 1263 142 142 THR H H 7.305 0.020 1 1264 142 142 THR HA H 4.309 0.020 1 1265 142 142 THR HB H 3.529 0.020 1 1266 142 142 THR HG2 H 1.187 0.020 1 1267 142 142 THR CA C 62.084 0.400 1 1268 142 142 THR CB C 70.671 0.400 1 1269 142 142 THR CG2 C 21.258 0.400 1 1270 142 142 THR N N 117.109 0.400 1 1271 143 143 ALA H H 8.673 0.020 1 1272 143 143 ALA HA H 4.407 0.020 1 1273 143 143 ALA HB H 1.372 0.020 1 1274 143 143 ALA CA C 50.840 0.400 1 1275 143 143 ALA CB C 17.625 0.400 1 1276 143 143 ALA N N 130.943 0.400 1 1277 144 144 PRO HA H 4.066 0.020 1 1278 144 144 PRO HB2 H 2.326 0.020 2 1279 144 144 PRO HB3 H 1.966 0.020 2 1280 144 144 PRO HD2 H 3.846 0.020 2 1281 144 144 PRO HD3 H 3.750 0.020 2 1282 144 144 PRO HG2 H 2.091 0.020 2 1283 144 144 PRO HG3 H 2.085 0.020 2 1284 144 144 PRO CA C 65.025 0.400 1 1285 144 144 PRO CB C 31.810 0.400 1 1286 144 144 PRO CD C 49.917 0.400 1 1287 144 144 PRO CG C 27.140 0.400 1 1288 145 145 ASP H H 7.939 0.020 1 1289 145 145 ASP HA H 4.243 0.020 1 1290 145 145 ASP HB2 H 2.675 0.020 2 1291 145 145 ASP HB3 H 2.599 0.020 2 1292 145 145 ASP CA C 54.491 0.400 1 1293 145 145 ASP CB C 39.787 0.400 1 1294 145 145 ASP N N 108.531 0.400 1 1295 146 146 GLN H H 7.755 0.020 1 1296 146 146 GLN HA H 4.176 0.020 1 1297 146 146 GLN HB2 H 2.255 0.020 2 1298 146 146 GLN HB3 H 1.645 0.020 2 1299 146 146 GLN HE21 H 7.358 0.020 2 1300 146 146 GLN HE22 H 6.922 0.020 2 1301 146 146 GLN HG2 H 2.190 0.020 2 1302 146 146 GLN HG3 H 2.181 0.020 2 1303 146 146 GLN CA C 54.162 0.400 1 1304 146 146 GLN CB C 30.333 0.400 1 1305 146 146 GLN CG C 33.463 0.400 1 1306 146 146 GLN N N 116.033 0.400 1 1307 147 147 LEU H H 6.617 0.020 1 1308 147 147 LEU HA H 3.830 0.020 1 1309 147 147 LEU HB2 H 1.777 0.020 2 1310 147 147 LEU HB3 H 1.480 0.020 2 1311 147 147 LEU HD1 H 1.182 0.020 2 1312 147 147 LEU HD2 H 0.673 0.020 2 1313 147 147 LEU HG H 1.590 0.020 1 1314 147 147 LEU CA C 56.149 0.400 1 1315 147 147 LEU CB C 42.795 0.400 1 1316 147 147 LEU CD1 C 24.056 0.400 1 1317 147 147 LEU CD2 C 25.217 0.400 1 1318 147 147 LEU CG C 26.659 0.400 1 1319 147 147 LEU N N 121.560 0.400 1 1320 148 148 ARG H H 9.193 0.020 1 1321 148 148 ARG HA H 5.254 0.020 1 1322 148 148 ARG HB2 H 2.140 0.020 2 1323 148 148 ARG HB3 H 2.070 0.020 2 1324 148 148 ARG CA C 55.424 0.400 1 1325 148 148 ARG CB C 32.593 0.400 1 1326 148 148 ARG N N 125.562 0.400 1 1327 149 149 THR H H 9.399 0.020 1 1328 149 149 THR HA H 5.098 0.020 1 1329 149 149 THR HB H 4.108 0.020 1 1330 149 149 THR HG2 H 1.122 0.020 1 1331 149 149 THR CA C 62.562 0.400 1 1332 149 149 THR CB C 72.464 0.400 1 1333 149 149 THR CG2 C 21.297 0.400 1 1334 149 149 THR N N 120.821 0.400 1 1335 150 150 ARG H H 9.005 0.020 1 1336 150 150 ARG HA H 4.867 0.020 1 1337 150 150 ARG HB2 H 1.580 0.020 2 1338 150 150 ARG HB3 H 1.580 0.020 2 1339 150 150 ARG HG2 H 1.298 0.020 2 1340 150 150 ARG HG3 H 1.290 0.020 2 1341 150 150 ARG CA C 55.510 0.400 1 1342 150 150 ARG CB C 30.643 0.400 1 1343 150 150 ARG CG C 27.143 0.400 1 1344 150 150 ARG N N 126.700 0.400 1 1345 151 151 VAL H H 8.796 0.020 1 1346 151 151 VAL HA H 4.335 0.020 1 1347 151 151 VAL HB H 1.512 0.020 1 1348 151 151 VAL HG1 H 0.715 0.020 2 1349 151 151 VAL HG2 H 0.150 0.020 2 1350 151 151 VAL CA C 62.171 0.400 1 1351 151 151 VAL CB C 33.460 0.400 1 1352 151 151 VAL CG1 C 21.815 0.400 1 1353 151 151 VAL CG2 C 20.163 0.400 1 1354 151 151 VAL N N 130.491 0.400 1 1355 152 152 SER H H 8.881 0.020 1 1356 152 152 SER HA H 5.692 0.020 1 1357 152 152 SER HB2 H 3.800 0.020 2 1358 152 152 SER HB3 H 3.770 0.020 2 1359 152 152 SER CA C 56.462 0.400 1 1360 152 152 SER CB C 65.993 0.400 1 1361 152 152 SER N N 120.075 0.400 1 1362 153 153 LEU H H 9.429 0.020 1 1363 153 153 LEU HA H 4.989 0.020 1 1364 153 153 LEU HB2 H 1.714 0.020 2 1365 153 153 LEU HB3 H 1.649 0.020 2 1366 153 153 LEU CA C 52.873 0.400 1 1367 153 153 LEU CB C 42.867 0.400 1 1368 153 153 LEU N N 123.639 0.400 1 1369 154 154 MET H H 7.591 0.020 1 1370 154 154 MET HA H 4.727 0.020 1 1371 154 154 MET HB2 H 2.187 0.020 2 1372 154 154 MET HB3 H 2.114 0.020 2 1373 154 154 MET HE H 1.613 0.020 1 1374 154 154 MET HG2 H 2.735 0.020 2 1375 154 154 MET HG3 H 2.715 0.020 2 1376 154 154 MET CA C 54.569 0.400 1 1377 154 154 MET CB C 29.468 0.400 1 1378 154 154 MET CE C 15.338 0.400 1 1379 154 154 MET CG C 31.129 0.400 1 1380 154 154 MET N N 119.591 0.400 1 1381 155 155 LEU H H 8.608 0.020 1 1382 155 155 LEU HA H 5.137 0.020 1 1383 155 155 LEU HB2 H 1.567 0.020 2 1384 155 155 LEU HB3 H 1.463 0.020 2 1385 155 155 LEU HD1 H 0.800 0.020 2 1386 155 155 LEU HD2 H 0.374 0.020 2 1387 155 155 LEU HG H 1.541 0.020 1 1388 155 155 LEU CA C 53.809 0.400 1 1389 155 155 LEU CB C 42.795 0.400 1 1390 155 155 LEU CD1 C 23.505 0.400 1 1391 155 155 LEU CD2 C 25.408 0.400 1 1392 155 155 LEU CG C 26.770 0.400 1 1393 155 155 LEU N N 122.078 0.400 1 1394 156 156 HIS H H 8.689 0.020 1 1395 156 156 HIS HA H 4.692 0.020 1 1396 156 156 HIS HB2 H 3.003 0.020 2 1397 156 156 HIS HB3 H 2.747 0.020 2 1398 156 156 HIS HD2 H 7.080 0.020 1 1399 156 156 HIS HE1 H 8.080 0.020 1 1400 156 156 HIS CA C 55.515 0.400 1 1401 156 156 HIS CB C 31.118 0.400 1 1402 156 156 HIS CD2 C 119.840 0.400 1 1403 156 156 HIS CE1 C 136.050 0.400 1 1404 156 156 HIS N N 120.048 0.400 1 1405 157 157 GLU H H 8.634 0.020 1 1406 157 157 GLU HA H 4.386 0.020 1 1407 157 157 GLU HB2 H 2.021 0.020 2 1408 157 157 GLU HB3 H 1.923 0.020 2 1409 157 157 GLU HG2 H 2.229 0.020 2 1410 157 157 GLU HG3 H 2.225 0.020 2 1411 157 157 GLU CA C 56.301 0.400 1 1412 157 157 GLU CB C 30.859 0.400 1 1413 157 157 GLU CG C 36.010 0.400 1 1414 157 157 GLU N N 125.081 0.400 1 1415 158 158 SER H H 8.578 0.020 1 1416 158 158 SER HA H 4.425 0.020 1 1417 158 158 SER HB2 H 3.908 0.020 2 1418 158 158 SER HB3 H 3.844 0.020 2 1419 158 158 SER CA C 57.880 0.400 1 1420 158 158 SER CB C 63.728 0.400 1 1421 158 158 SER N N 118.075 0.400 1 1422 159 159 LEU H H 8.474 0.020 1 1423 159 159 LEU HA H 4.292 0.020 1 1424 159 159 LEU HB2 H 1.595 0.020 2 1425 159 159 LEU HB3 H 1.547 0.020 2 1426 159 159 LEU HD1 H 0.838 0.020 2 1427 159 159 LEU HD2 H 0.808 0.020 2 1428 159 159 LEU HG H 1.540 0.020 1 1429 159 159 LEU CA C 55.389 0.400 1 1430 159 159 LEU CB C 42.017 0.400 1 1431 159 159 LEU CD1 C 23.394 0.400 1 1432 159 159 LEU CD2 C 23.343 0.400 1 1433 159 159 LEU CG C 26.770 0.400 1 1434 159 159 LEU N N 124.642 0.400 1 1435 160 160 GLU H H 8.295 0.020 1 1436 160 160 GLU HA H 4.748 0.020 1 1437 160 160 GLU HB2 H 1.895 0.020 2 1438 160 160 GLU HB3 H 1.807 0.020 2 1439 160 160 GLU CA C 56.627 0.400 1 1440 160 160 GLU CB C 30.000 0.400 1 1441 160 160 GLU N N 119.987 0.400 1 1442 161 161 HIS H H 8.227 0.020 1 1443 161 161 HIS HA H 4.581 0.020 1 1444 161 161 HIS HB2 H 3.118 0.020 2 1445 161 161 HIS HB3 H 3.118 0.020 2 1446 161 161 HIS HD2 H 7.080 0.020 1 1447 161 161 HIS HE1 H 8.080 0.020 1 1448 161 161 HIS CA C 55.706 0.400 1 1449 161 161 HIS CB C 30.000 0.400 1 1450 161 161 HIS CD2 C 119.840 0.400 1 1451 161 161 HIS CE1 C 136.050 0.400 1 1452 161 161 HIS N N 119.015 0.400 1 1453 162 162 HIS H H 8.139 0.020 1 1454 162 162 HIS HA H 4.620 0.020 1 1455 162 162 HIS HB2 H 3.120 0.020 2 1456 162 162 HIS HB3 H 3.110 0.020 2 1457 162 162 HIS HD2 H 7.080 0.020 1 1458 162 162 HIS HE1 H 8.080 0.020 1 1459 162 162 HIS CA C 57.154 0.400 1 1460 162 162 HIS CB C 30.000 0.400 1 1461 162 162 HIS CD2 C 119.840 0.400 1 1462 162 162 HIS CE1 C 136.050 0.400 1 1463 162 162 HIS N N 125.064 0.400 1 1464 163 163 HIS H H 8.250 0.020 1 1465 163 163 HIS HA H 4.620 0.020 1 1466 163 163 HIS HB2 H 3.120 0.020 2 1467 163 163 HIS HB3 H 3.110 0.020 2 1468 163 163 HIS HD2 H 7.080 0.020 1 1469 163 163 HIS HE1 H 8.080 0.020 1 1470 163 163 HIS CA C 56.370 0.400 1 1471 163 163 HIS CB C 29.950 0.400 1 1472 163 163 HIS CD2 C 119.840 0.400 1 1473 163 163 HIS CE1 C 136.050 0.400 1 1474 163 163 HIS N N 119.440 0.400 1 1475 164 164 HIS H H 8.250 0.020 1 1476 164 164 HIS HA H 4.620 0.020 1 1477 164 164 HIS HB2 H 3.120 0.020 2 1478 164 164 HIS HB3 H 3.110 0.020 2 1479 164 164 HIS HD2 H 7.080 0.020 1 1480 164 164 HIS HE1 H 8.080 0.020 1 1481 164 164 HIS CA C 56.370 0.400 1 1482 164 164 HIS CB C 29.950 0.400 1 1483 164 164 HIS CD2 C 119.840 0.400 1 1484 164 164 HIS CE1 C 136.050 0.400 1 1485 164 164 HIS N N 119.440 0.400 1 1486 165 165 HIS H H 8.250 0.020 1 1487 165 165 HIS HA H 4.620 0.020 1 1488 165 165 HIS HB2 H 3.120 0.020 2 1489 165 165 HIS HB3 H 3.110 0.020 2 1490 165 165 HIS HD2 H 7.080 0.020 1 1491 165 165 HIS HE1 H 8.080 0.020 1 1492 165 165 HIS CA C 56.370 0.400 1 1493 165 165 HIS CB C 29.950 0.400 1 1494 165 165 HIS CD2 C 119.840 0.400 1 1495 165 165 HIS CE1 C 136.050 0.400 1 1496 165 165 HIS N N 119.440 0.400 1 1497 166 166 HIS H H 8.250 0.020 1 1498 166 166 HIS HA H 4.620 0.020 1 1499 166 166 HIS HB2 H 3.120 0.020 2 1500 166 166 HIS HB3 H 3.110 0.020 2 1501 166 166 HIS HD2 H 7.080 0.020 1 1502 166 166 HIS HE1 H 8.080 0.020 1 1503 166 166 HIS CA C 56.370 0.400 1 1504 166 166 HIS CB C 29.950 0.400 1 1505 166 166 HIS CD2 C 119.840 0.400 1 1506 166 166 HIS CE1 C 136.050 0.400 1 1507 166 166 HIS N N 119.440 0.400 1 stop_ save_