data_17683 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure of Heat shock factor protein 1 DNA binding domain from homo sapiens, Northeast Structural Genomics Consortium Target HR3023C ; _BMRB_accession_number 17683 _BMRB_flat_file_name bmr17683.str _Entry_type original _Submission_date 2011-06-01 _Accession_date 2011-06-01 _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 Liu G. . . 2 Xiao R. . . 3 Ciccosanti C. . . 4 Janjua H. . . 5 Acton T. B. . 6 Lee Hsiau-wei . . 7 Wang H. B. . 8 Huang Yuanpeng B. . 9 Everett J. K. . 10 Montelione G. T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 712 "13C chemical shifts" 528 "15N chemical shifts" 120 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-07-05 original author . stop_ _Original_release_date 2011-07-05 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Northeast Structural Genomics Consortium Target HR3023C' _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 Liu G. . . 2 Xiao R. . . 3 Ciccosanti C. . . 4 Janjua H. . . 5 Acton T. B. . 6 Wang H. . . 7 Lee Hsiau-wei B. . 8 Huang Yuanpeng T. . 9 Everett J. K. . 10 Montelione G. T. . stop_ _Journal_abbreviation 'To be published' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name HR3023C _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HR3023C $HR3023C stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HR3023C _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HR3023C _Molecular_mass 14401.479 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 125 _Mol_residue_sequence ; MGHHHHHHSHMAGPSNVPAF LTKLWTLVSDPDTDALICWS PSGNSFHVFDQGQFAKEVLP KYFKHNNMASFVRQLNMYGF RKVVHIEQGGLVKPERDDTE FQHPCFLRGQEQLLENIKRK VTSVS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLY 3 3 HIS 4 4 HIS 5 5 HIS 6 6 HIS 7 7 HIS 8 8 HIS 9 9 SER 10 10 HIS 11 11 MET 12 12 ALA 13 13 GLY 14 14 PRO 15 15 SER 16 16 ASN 17 17 VAL 18 18 PRO 19 19 ALA 20 20 PHE 21 21 LEU 22 22 THR 23 23 LYS 24 24 LEU 25 25 TRP 26 26 THR 27 27 LEU 28 28 VAL 29 29 SER 30 30 ASP 31 31 PRO 32 32 ASP 33 33 THR 34 34 ASP 35 35 ALA 36 36 LEU 37 37 ILE 38 38 CYS 39 39 TRP 40 40 SER 41 41 PRO 42 42 SER 43 43 GLY 44 44 ASN 45 45 SER 46 46 PHE 47 47 HIS 48 48 VAL 49 49 PHE 50 50 ASP 51 51 GLN 52 52 GLY 53 53 GLN 54 54 PHE 55 55 ALA 56 56 LYS 57 57 GLU 58 58 VAL 59 59 LEU 60 60 PRO 61 61 LYS 62 62 TYR 63 63 PHE 64 64 LYS 65 65 HIS 66 66 ASN 67 67 ASN 68 68 MET 69 69 ALA 70 70 SER 71 71 PHE 72 72 VAL 73 73 ARG 74 74 GLN 75 75 LEU 76 76 ASN 77 77 MET 78 78 TYR 79 79 GLY 80 80 PHE 81 81 ARG 82 82 LYS 83 83 VAL 84 84 VAL 85 85 HIS 86 86 ILE 87 87 GLU 88 88 GLN 89 89 GLY 90 90 GLY 91 91 LEU 92 92 VAL 93 93 LYS 94 94 PRO 95 95 GLU 96 96 ARG 97 97 ASP 98 98 ASP 99 99 THR 100 100 GLU 101 101 PHE 102 102 GLN 103 103 HIS 104 104 PRO 105 105 CYS 106 106 PHE 107 107 LEU 108 108 ARG 109 109 GLY 110 110 GLN 111 111 GLU 112 112 GLN 113 113 LEU 114 114 LEU 115 115 GLU 116 116 ASN 117 117 ILE 118 118 LYS 119 119 ARG 120 120 LYS 121 121 VAL 122 122 THR 123 123 SER 124 124 VAL 125 125 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LDU "Solution Nmr Structure Of Heat Shock Factor Protein 1 Dna Binding Domain From Homo Sapiens, Northeast Structural Genomics Conso" 100.00 125 100.00 100.00 5.49e-88 DBJ BAD96217 "heat shock transcription factor 1 variant [Homo sapiens]" 91.20 529 99.12 99.12 5.29e-76 DBJ BAF83664 "unnamed protein product [Homo sapiens]" 91.20 529 100.00 100.00 8.08e-77 DBJ BAG73234 "heat shock transcription factor 1 [synthetic construct]" 91.20 529 100.00 100.00 8.08e-77 DBJ BAK63583 "heat shock factor protein 1 [Pan troglodytes]" 91.20 529 100.00 100.00 8.44e-77 EMBL CAA43892 "heat shock transcription factor 1 [Mus musculus]" 91.20 503 100.00 100.00 5.16e-77 EMBL CAD58796 "heat shock transcription factor 1 [Bos taurus]" 81.60 141 98.04 99.02 3.03e-69 GB AAA52695 "heat shock factor 1 [Homo sapiens]" 91.20 529 100.00 100.00 8.08e-77 GB AAC80425 "heat shock transcription factor 1 [Mus musculus]" 67.20 486 100.00 100.00 3.23e-52 GB AAH13716 "Heat shock factor 1 [Mus musculus]" 91.20 503 100.00 100.00 5.16e-77 GB AAH14638 "Heat shock transcription factor 1 [Homo sapiens]" 91.20 529 100.00 100.00 8.08e-77 GB AAH94064 "Hsf1 protein [Mus musculus]" 91.20 477 100.00 100.00 2.86e-77 PRF 2102256A "heat shock factor" 91.20 529 100.00 100.00 8.62e-77 REF NP_001070277 "heat shock factor protein 1 [Bos taurus]" 91.20 525 98.25 99.12 1.93e-75 REF NP_001230748 "heat shock factor protein 1 [Sus scrofa]" 91.20 518 97.37 99.12 9.26e-75 REF NP_001266850 "heat shock factor protein 1 [Pan troglodytes]" 91.20 529 100.00 100.00 8.44e-77 REF NP_001301273 "heat shock transcription factor 1 [Capra hircus]" 91.20 525 98.25 99.12 6.65e-74 REF NP_005517 "heat shock factor protein 1 [Homo sapiens]" 91.20 529 100.00 100.00 8.08e-77 SP P38532 "RecName: Full=Heat shock factor protein 1; Short=HSF 1; AltName: Full=Heat shock transcription factor 1; Short=HSTF 1" 91.20 525 100.00 100.00 5.13e-77 SP Q00613 "RecName: Full=Heat shock factor protein 1; Short=HSF 1; AltName: Full=Heat shock transcription factor 1; Short=HSTF 1" 91.20 529 100.00 100.00 8.08e-77 SP Q08DJ8 "RecName: Full=Heat shock factor protein 1; Short=HSF 1; AltName: Full=Heat shock transcription factor 1; Short=HSTF 1" 91.20 525 98.25 99.12 1.93e-75 TPG DAA22852 "TPA: heat shock factor protein 1 [Bos taurus]" 91.20 525 98.25 99.12 1.93e-75 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic _Details $HR3023C Human 9606 Eukaryota Metazoa Homo sapiens HSF1_HUMAN 'Q00613 (HSF1_HUMAN)' 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 $HR3023C 'recombinant technology' . Escherichia coli . 'pET 14-15C' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_NC _Saveframe_category sample _Sample_type solution _Details '0.51 mM [U-100% 13C; U-100% 15N], 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR3023C 0.51 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_NC5 _Saveframe_category sample _Sample_type solution _Details 'NMR buffer 6.5 -- 0.02% NaN3, 10mM DTT, 5mM CaCL2, 100mM NaCL, 1x Proteinase Inhibitors, 20mM MES pH 6.5, 10% D2O, 50uM DSS' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR3023C 0.43 mM '[U-100% 13C; U-100% 15N]' NaN3 0.02 % 'natural abundance' DTT 10 mM 'natural abundance' CaCL2 5 mM 'natural abundance' NaCL 100 mM 'natural abundance' 'Proteinase Inhibitors' 1 x 'natural abundance' MES 20 mM 'natural abundance' DSS 50 uM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_sample_NC5_pol _Saveframe_category sample _Sample_type gel _Details ; NMR buffer 6.5 -- 0.02% NaN3, 10mM DTT, 5mM CaCL2, 100mM NaCL, 1x Proteinase Inhibitors, 20mM MES pH 6.5, 10% D2O, 50uM DSS aligned in Positively Charged Compressed Poly Acrylamide Gel. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR3023C 0.43 mM '[U-100% 13C; U-100% 15N]' NaN3 0.02 % 'natural abundance' DTT 10 mM 'natural abundance' CaCL2 5 mM 'natural abundance' NaCL 100 mM 'natural abundance' 'Proteinase Inhibitors' 1 x 'natural abundance' MES 20 mM 'natural abundance' DSS 50 uM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_sample_NC5_peg _Saveframe_category sample _Sample_type solution _Details ; NMR buffer 6.5 -- 0.02% NaN3, 10mM DTT, 5mM CaCL2, 100mM NaCL, 1x Proteinase Inhibitors, 20mM MES pH 6.5, 10% D2O, 50uM DSS aligned in Peg/hexanol. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR3023C 0.43 mM '[U-100% 13C; U-100% 15N]' NaN3 0.02 % 'natural abundance' DTT 10 mM 'natural abundance' CaCL2 5 mM 'natural abundance' NaCL 100 mM 'natural abundance' 'Proteinase Inhibitors' 1 x 'natural abundance' MES 20 mM 'natural abundance' DSS 50 uM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'refinemen,structure solution,geometry optimization' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'refinement,geometry optimization,structure solution' stop_ _Details . save_ save_AutoStructure _Saveframe_category software _Name AutoStruct _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Huang, Tejero, Powers and Montelione' . . stop_ loop_ _Task 'data analysis,refinement' stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'data analysis,chemical shift assignment' 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_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis,peak picking,chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TALOS+ _Saveframe_category software _Name TALOS+ _Version . loop_ _Vendor _Address _Electronic_address 'Shen, Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details 'at Rutgers' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details 'at University of Georgia' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_NC save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_NC5 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_NC save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_NC save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_NC save_ save_3D_1H-13C_arom_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C arom NOESY' _Sample_label $sample_NC save_ save_3D_simutaneous_13C-aromatic,13C-aliphatic,15N_edited_1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' _Sample_label $sample_NC save_ save_2D_1H-13C_HSQC_aromatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_NC save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_NC5_pol save_ save_2D_1H-15N_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_NC5_peg save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' stop_ loop_ _Sample_label $sample_NC stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name HR3023C _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 10 10 HIS HA H 4.651 0.020 1 2 10 10 HIS HB2 H 3.178 0.020 2 3 10 10 HIS HB3 H 3.125 0.020 2 4 10 10 HIS HD2 H 7.074 0.020 1 5 10 10 HIS C C 174.834 0.400 1 6 10 10 HIS CA C 56.324 0.400 1 7 10 10 HIS CB C 29.942 0.400 1 8 11 11 MET H H 8.251 0.020 1 9 11 11 MET HA H 4.420 0.020 1 10 11 11 MET HB2 H 1.898 0.020 2 11 11 11 MET HB3 H 2.053 0.020 2 12 11 11 MET HG2 H 2.422 0.020 2 13 11 11 MET HG3 H 2.465 0.020 2 14 11 11 MET HE H 2.040 0.020 1 15 11 11 MET C C 175.345 0.400 1 16 11 11 MET CA C 55.337 0.400 1 17 11 11 MET CB C 32.700 0.400 1 18 11 11 MET CG C 32.070 0.400 1 19 11 11 MET CE C 16.722 0.400 1 20 11 11 MET N N 121.689 0.400 1 21 12 12 ALA H H 8.333 0.020 1 22 12 12 ALA HA H 4.346 0.020 1 23 12 12 ALA HB H 1.388 0.020 1 24 12 12 ALA C C 177.388 0.400 1 25 12 12 ALA CA C 52.148 0.400 1 26 12 12 ALA CB C 19.248 0.400 1 27 12 12 ALA N N 125.404 0.400 1 28 13 13 GLY H H 8.194 0.020 1 29 13 13 GLY HA2 H 4.019 0.020 2 30 13 13 GLY HA3 H 4.127 0.020 2 31 13 13 GLY CA C 44.168 0.400 1 32 13 13 GLY N N 108.257 0.400 1 33 14 14 PRO HA H 4.451 0.020 1 34 14 14 PRO HB2 H 2.272 0.020 2 35 14 14 PRO HB3 H 1.933 0.020 2 36 14 14 PRO HG2 H 1.986 0.020 1 37 14 14 PRO HG3 H 1.986 0.020 1 38 14 14 PRO HD2 H 3.581 0.020 1 39 14 14 PRO HD3 H 3.580 0.020 1 40 14 14 PRO C C 177.058 0.400 1 41 14 14 PRO CA C 62.750 0.400 1 42 14 14 PRO CB C 32.000 0.400 1 43 14 14 PRO CG C 26.753 0.400 1 44 14 14 PRO CD C 49.414 0.400 1 45 15 15 SER H H 8.514 0.020 1 46 15 15 SER HA H 4.443 0.020 1 47 15 15 SER HB2 H 3.892 0.020 2 48 15 15 SER HB3 H 3.802 0.020 2 49 15 15 SER HG H 4.838 0.020 1 50 15 15 SER C C 174.263 0.400 1 51 15 15 SER CA C 58.017 0.400 1 52 15 15 SER CB C 63.851 0.400 1 53 15 15 SER N N 115.934 0.400 1 54 16 16 ASN H H 8.699 0.020 1 55 16 16 ASN HA H 4.754 0.020 1 56 16 16 ASN HB2 H 2.880 0.020 2 57 16 16 ASN HB3 H 2.752 0.020 2 58 16 16 ASN HD21 H 7.653 0.020 2 59 16 16 ASN HD22 H 6.920 0.020 2 60 16 16 ASN C C 174.443 0.400 1 61 16 16 ASN CA C 53.177 0.400 1 62 16 16 ASN CB C 38.667 0.400 1 63 16 16 ASN N N 121.161 0.400 1 64 16 16 ASN ND2 N 112.830 0.400 1 65 17 17 VAL H H 8.041 0.020 1 66 17 17 VAL HA H 4.320 0.020 1 67 17 17 VAL HB H 1.823 0.020 1 68 17 17 VAL HG1 H 0.958 0.020 2 69 17 17 VAL HG2 H 0.848 0.020 2 70 17 17 VAL CA C 60.194 0.400 1 71 17 17 VAL CB C 33.284 0.400 1 72 17 17 VAL CG1 C 21.578 0.400 1 73 17 17 VAL CG2 C 21.865 0.400 1 74 17 17 VAL N N 123.030 0.400 1 75 18 18 PRO HA H 4.445 0.020 1 76 18 18 PRO HB2 H 1.874 0.020 2 77 18 18 PRO HB3 H 2.654 0.020 2 78 18 18 PRO HG2 H 2.283 0.020 2 79 18 18 PRO HG3 H 2.207 0.020 2 80 18 18 PRO HD2 H 3.859 0.020 2 81 18 18 PRO HD3 H 4.110 0.020 2 82 18 18 PRO C C 177.028 0.400 1 83 18 18 PRO CA C 63.697 0.400 1 84 18 18 PRO CB C 32.536 0.400 1 85 18 18 PRO CG C 27.757 0.400 1 86 18 18 PRO CD C 51.611 0.400 1 87 19 19 ALA H H 8.788 0.020 1 88 19 19 ALA HA H 4.229 0.020 1 89 19 19 ALA HB H 1.560 0.020 1 90 19 19 ALA C C 178.711 0.400 1 91 19 19 ALA CA C 54.970 0.400 1 92 19 19 ALA CB C 18.202 0.400 1 93 19 19 ALA N N 128.241 0.400 1 94 20 20 PHE H H 8.923 0.020 1 95 20 20 PHE HA H 4.278 0.020 1 96 20 20 PHE HB2 H 3.608 0.020 2 97 20 20 PHE HB3 H 2.514 0.020 2 98 20 20 PHE HD1 H 6.983 0.020 1 99 20 20 PHE HD2 H 6.983 0.020 1 100 20 20 PHE HE1 H 6.553 0.020 1 101 20 20 PHE HE2 H 6.553 0.020 1 102 20 20 PHE HZ H 6.282 0.020 1 103 20 20 PHE C C 176.126 0.400 1 104 20 20 PHE CA C 62.138 0.400 1 105 20 20 PHE CB C 40.680 0.400 1 106 20 20 PHE CD1 C 132.362 0.400 1 107 20 20 PHE CD2 C 132.453 0.400 1 108 20 20 PHE CE1 C 130.180 0.400 1 109 20 20 PHE CE2 C 129.965 0.400 1 110 20 20 PHE CZ C 128.875 0.400 1 111 20 20 PHE N N 115.643 0.400 1 112 21 21 LEU H H 7.066 0.020 1 113 21 21 LEU HA H 3.853 0.020 1 114 21 21 LEU HB2 H 1.336 0.020 2 115 21 21 LEU HB3 H 1.958 0.020 2 116 21 21 LEU HG H 1.253 0.020 1 117 21 21 LEU HD1 H 0.755 0.020 2 118 21 21 LEU HD2 H 0.644 0.020 2 119 21 21 LEU C C 178.531 0.400 1 120 21 21 LEU CA C 56.716 0.400 1 121 21 21 LEU CB C 42.416 0.400 1 122 21 21 LEU CG C 26.928 0.400 1 123 21 21 LEU CD1 C 26.062 0.400 1 124 21 21 LEU CD2 C 21.915 0.400 1 125 21 21 LEU N N 113.210 0.400 1 126 22 22 THR H H 7.516 0.020 1 127 22 22 THR HA H 3.888 0.020 1 128 22 22 THR HB H 4.124 0.020 1 129 22 22 THR HG2 H 1.207 0.020 1 130 22 22 THR C C 177.719 0.400 1 131 22 22 THR CA C 66.257 0.400 1 132 22 22 THR CB C 68.035 0.400 1 133 22 22 THR CG2 C 22.151 0.400 1 134 22 22 THR N N 115.147 0.400 1 135 23 23 LYS H H 8.733 0.020 1 136 23 23 LYS HA H 4.021 0.020 1 137 23 23 LYS HB2 H 1.918 0.020 2 138 23 23 LYS HB3 H 1.446 0.020 2 139 23 23 LYS HG2 H 1.583 0.020 2 140 23 23 LYS HG3 H 1.348 0.020 2 141 23 23 LYS HD2 H 1.583 0.020 1 142 23 23 LYS HD3 H 1.583 0.020 1 143 23 23 LYS HE2 H 2.934 0.020 2 144 23 23 LYS HE3 H 2.883 0.020 2 145 23 23 LYS C C 178.380 0.400 1 146 23 23 LYS CA C 59.496 0.400 1 147 23 23 LYS CB C 32.700 0.400 1 148 23 23 LYS CG C 25.367 0.400 1 149 23 23 LYS CD C 28.780 0.400 1 150 23 23 LYS CE C 41.946 0.400 1 151 23 23 LYS N N 123.281 0.400 1 152 24 24 LEU H H 8.318 0.020 1 153 24 24 LEU HA H 3.857 0.020 1 154 24 24 LEU HB2 H 1.750 0.020 2 155 24 24 LEU HB3 H 0.932 0.020 2 156 24 24 LEU HG H 1.056 0.020 1 157 24 24 LEU HD1 H 0.478 0.020 2 158 24 24 LEU HD2 H -0.151 0.020 2 159 24 24 LEU C C 176.970 0.400 1 160 24 24 LEU CA C 58.054 0.400 1 161 24 24 LEU CB C 41.420 0.400 1 162 24 24 LEU CG C 26.062 0.400 1 163 24 24 LEU CD1 C 22.280 0.400 1 164 24 24 LEU CD2 C 26.410 0.400 1 165 24 24 LEU N N 119.466 0.400 1 166 25 25 TRP H H 8.832 0.020 1 167 25 25 TRP HA H 3.806 0.020 1 168 25 25 TRP HB2 H 3.378 0.020 2 169 25 25 TRP HB3 H 3.488 0.020 2 170 25 25 TRP HD1 H 7.939 0.020 1 171 25 25 TRP HE3 H 7.316 0.020 1 172 25 25 TRP HZ2 H 7.262 0.020 1 173 25 25 TRP HZ3 H 7.073 0.020 1 174 25 25 TRP HH2 H 7.235 0.020 1 175 25 25 TRP C C 176.100 0.400 1 176 25 25 TRP CA C 63.250 0.400 1 177 25 25 TRP CB C 29.890 0.400 1 178 25 25 TRP CD1 C 126.600 0.400 1 179 25 25 TRP CE3 C 120.164 0.400 1 180 25 25 TRP CZ2 C 113.743 0.400 1 181 25 25 TRP CZ3 C 122.462 0.400 1 182 25 25 TRP CH2 C 124.772 0.400 1 183 25 25 TRP N N 119.688 0.400 1 184 26 26 THR H H 8.465 0.020 1 185 26 26 THR HA H 3.802 0.020 1 186 26 26 THR HB H 4.396 0.020 1 187 26 26 THR HG2 H 1.423 0.020 1 188 26 26 THR C C 175.375 0.400 1 189 26 26 THR CA C 66.923 0.400 1 190 26 26 THR CB C 68.666 0.400 1 191 26 26 THR CG2 C 21.440 0.400 1 192 26 26 THR N N 117.620 0.400 1 193 27 27 LEU H H 8.265 0.020 1 194 27 27 LEU HA H 3.858 0.020 1 195 27 27 LEU HB2 H 1.652 0.020 2 196 27 27 LEU HB3 H 1.103 0.020 2 197 27 27 LEU HG H 1.274 0.020 1 198 27 27 LEU HD1 H 0.206 0.020 2 199 27 27 LEU HD2 H 0.493 0.020 2 200 27 27 LEU C C 178.921 0.400 1 201 27 27 LEU CA C 57.839 0.400 1 202 27 27 LEU CB C 41.284 0.400 1 203 27 27 LEU CG C 26.199 0.400 1 204 27 27 LEU CD1 C 23.282 0.400 1 205 27 27 LEU CD2 C 25.717 0.400 1 206 27 27 LEU N N 123.846 0.400 1 207 28 28 VAL H H 8.441 0.020 1 208 28 28 VAL HA H 2.762 0.020 1 209 28 28 VAL HB H 0.922 0.020 1 210 28 28 VAL HG1 H -1.060 0.020 2 211 28 28 VAL HG2 H -0.065 0.020 2 212 28 28 VAL C C 179.252 0.400 1 213 28 28 VAL CA C 66.611 0.400 1 214 28 28 VAL CB C 31.114 0.400 1 215 28 28 VAL CG1 C 20.092 0.400 1 216 28 28 VAL CG2 C 21.889 0.400 1 217 28 28 VAL N N 119.567 0.400 1 218 29 29 SER H H 7.297 0.020 1 219 29 29 SER HA H 4.059 0.020 1 220 29 29 SER HB2 H 3.655 0.020 2 221 29 29 SER HB3 H 3.711 0.020 2 222 29 29 SER C C 172.429 0.400 1 223 29 29 SER CA C 60.865 0.400 1 224 29 29 SER CB C 63.451 0.400 1 225 29 29 SER N N 112.180 0.400 1 226 30 30 ASP H H 7.422 0.020 1 227 30 30 ASP HA H 4.576 0.020 1 228 30 30 ASP HB2 H 2.799 0.020 2 229 30 30 ASP HB3 H 3.054 0.020 2 230 30 30 ASP CA C 52.025 0.400 1 231 30 30 ASP CB C 41.052 0.400 1 232 30 30 ASP N N 123.540 0.400 1 233 31 31 PRO HA H 4.645 0.020 1 234 31 31 PRO HB2 H 2.411 0.020 2 235 31 31 PRO HB3 H 2.044 0.020 2 236 31 31 PRO HG2 H 2.074 0.020 2 237 31 31 PRO HG3 H 2.119 0.020 2 238 31 31 PRO HD2 H 4.089 0.020 1 239 31 31 PRO HD3 H 4.090 0.020 1 240 31 31 PRO C C 179.643 0.400 1 241 31 31 PRO CA C 63.621 0.400 1 242 31 31 PRO CB C 31.572 0.400 1 243 31 31 PRO CG C 27.140 0.400 1 244 31 31 PRO CD C 50.808 0.400 1 245 32 32 ASP H H 8.744 0.020 1 246 32 32 ASP HA H 4.555 0.020 1 247 32 32 ASP HB2 H 2.837 0.020 2 248 32 32 ASP HB3 H 2.721 0.020 2 249 32 32 ASP C C 178.290 0.400 1 250 32 32 ASP CA C 56.033 0.400 1 251 32 32 ASP CB C 40.166 0.400 1 252 32 32 ASP N N 117.536 0.400 1 253 33 33 THR H H 7.611 0.020 1 254 33 33 THR HA H 4.696 0.020 1 255 33 33 THR HB H 4.682 0.020 1 256 33 33 THR HG2 H 1.166 0.020 1 257 33 33 THR C C 175.735 0.400 1 258 33 33 THR CA C 60.423 0.400 1 259 33 33 THR CB C 70.089 0.400 1 260 33 33 THR CG2 C 21.440 0.400 1 261 33 33 THR N N 106.489 0.400 1 262 34 34 ASP H H 7.388 0.020 1 263 34 34 ASP HA H 4.750 0.020 1 264 34 34 ASP HB2 H 2.886 0.020 2 265 34 34 ASP HB3 H 2.737 0.020 2 266 34 34 ASP C C 175.705 0.400 1 267 34 34 ASP CA C 57.087 0.400 1 268 34 34 ASP CB C 40.366 0.400 1 269 34 34 ASP N N 122.431 0.400 1 270 35 35 ALA H H 8.486 0.020 1 271 35 35 ALA HA H 4.129 0.020 1 272 35 35 ALA HB H 1.378 0.020 1 273 35 35 ALA C C 177.599 0.400 1 274 35 35 ALA CA C 54.189 0.400 1 275 35 35 ALA CB C 18.079 0.400 1 276 35 35 ALA N N 120.157 0.400 1 277 36 36 LEU H H 8.204 0.020 1 278 36 36 LEU HA H 5.065 0.020 1 279 36 36 LEU HB2 H 1.921 0.020 2 280 36 36 LEU HB3 H 1.828 0.020 2 281 36 36 LEU HG H 1.677 0.020 1 282 36 36 LEU HD1 H 1.115 0.020 2 283 36 36 LEU HD2 H 0.970 0.020 2 284 36 36 LEU C C 175.104 0.400 1 285 36 36 LEU CA C 55.632 0.400 1 286 36 36 LEU CB C 46.180 0.400 1 287 36 36 LEU CG C 27.110 0.400 1 288 36 36 LEU CD1 C 24.100 0.400 1 289 36 36 LEU CD2 C 26.244 0.400 1 290 36 36 LEU N N 115.101 0.400 1 291 37 37 ILE H H 8.753 0.020 1 292 37 37 ILE HA H 5.700 0.020 1 293 37 37 ILE HB H 1.936 0.020 1 294 37 37 ILE HG12 H 0.579 0.020 2 295 37 37 ILE HG13 H 1.818 0.020 2 296 37 37 ILE HG2 H 0.984 0.020 1 297 37 37 ILE HD1 H 0.602 0.020 1 298 37 37 ILE C C 173.361 0.400 1 299 37 37 ILE CA C 59.125 0.400 1 300 37 37 ILE CB C 38.008 0.400 1 301 37 37 ILE CG1 C 28.225 0.400 1 302 37 37 ILE CG2 C 14.135 0.400 1 303 37 37 ILE CD1 C 13.894 0.400 1 304 37 37 ILE N N 116.260 0.400 1 305 38 38 CYS H H 8.474 0.020 1 306 38 38 CYS HA H 5.168 0.020 1 307 38 38 CYS HB2 H 3.089 0.020 2 308 38 38 CYS HB3 H 3.243 0.020 2 309 38 38 CYS C C 173.421 0.400 1 310 38 38 CYS CA C 54.740 0.400 1 311 38 38 CYS CB C 33.069 0.400 1 312 38 38 CYS N N 122.579 0.400 1 313 39 39 TRP H H 8.885 0.020 1 314 39 39 TRP HA H 5.049 0.020 1 315 39 39 TRP HB2 H 3.222 0.020 2 316 39 39 TRP HB3 H 3.618 0.020 2 317 39 39 TRP HD1 H 7.375 0.020 1 318 39 39 TRP HE1 H 9.105 0.020 1 319 39 39 TRP HE3 H 7.938 0.020 1 320 39 39 TRP HZ2 H 5.618 0.020 1 321 39 39 TRP HZ3 H 7.186 0.020 1 322 39 39 TRP HH2 H 5.950 0.020 1 323 39 39 TRP C C 178.591 0.400 1 324 39 39 TRP CA C 57.584 0.400 1 325 39 39 TRP CB C 31.321 0.400 1 326 39 39 TRP CD1 C 126.248 0.400 1 327 39 39 TRP CE3 C 120.637 0.400 1 328 39 39 TRP CZ2 C 111.793 0.400 1 329 39 39 TRP CZ3 C 121.967 0.400 1 330 39 39 TRP CH2 C 127.182 0.400 1 331 39 39 TRP N N 122.577 0.400 1 332 39 39 TRP NE1 N 127.438 0.400 1 333 40 40 SER H H 9.322 0.020 1 334 40 40 SER HA H 4.832 0.020 1 335 40 40 SER HB2 H 4.163 0.020 2 336 40 40 SER HB3 H 4.427 0.020 2 337 40 40 SER CA C 57.574 0.400 1 338 40 40 SER CB C 62.096 0.400 1 339 40 40 SER N N 118.682 0.400 1 340 41 41 PRO HA H 4.426 0.020 1 341 41 41 PRO HB2 H 2.470 0.020 2 342 41 41 PRO HB3 H 2.019 0.020 2 343 41 41 PRO HG2 H 2.131 0.020 2 344 41 41 PRO HG3 H 2.247 0.020 2 345 41 41 PRO HD2 H 4.049 0.020 2 346 41 41 PRO HD3 H 4.013 0.020 2 347 41 41 PRO C C 178.951 0.400 1 348 41 41 PRO CA C 66.217 0.400 1 349 41 41 PRO CB C 31.448 0.400 1 350 41 41 PRO CG C 27.838 0.400 1 351 41 41 PRO CD C 50.280 0.400 1 352 42 42 SER H H 8.351 0.020 1 353 42 42 SER HA H 4.391 0.020 1 354 42 42 SER HB2 H 3.997 0.020 2 355 42 42 SER HB3 H 4.000 0.020 2 356 42 42 SER C C 175.766 0.400 1 357 42 42 SER CA C 59.213 0.400 1 358 42 42 SER CB C 63.510 0.400 1 359 42 42 SER N N 110.051 0.400 1 360 43 43 GLY H H 8.472 0.020 1 361 43 43 GLY HA2 H 3.467 0.020 2 362 43 43 GLY HA3 H 3.900 0.020 2 363 43 43 GLY C C 172.129 0.400 1 364 43 43 GLY CA C 45.827 0.400 1 365 43 43 GLY N N 110.191 0.400 1 366 44 44 ASN H H 7.849 0.020 1 367 44 44 ASN HA H 5.295 0.020 1 368 44 44 ASN HB2 H 3.058 0.020 2 369 44 44 ASN HB3 H 2.825 0.020 2 370 44 44 ASN HD21 H 7.542 0.020 2 371 44 44 ASN HD22 H 6.912 0.020 2 372 44 44 ASN C C 175.405 0.400 1 373 44 44 ASN CA C 52.332 0.400 1 374 44 44 ASN CB C 38.597 0.400 1 375 44 44 ASN N N 113.354 0.400 1 376 44 44 ASN ND2 N 111.488 0.400 1 377 45 45 SER H H 8.595 0.020 1 378 45 45 SER HA H 5.637 0.020 1 379 45 45 SER HB2 H 4.163 0.020 2 380 45 45 SER HB3 H 4.075 0.020 2 381 45 45 SER C C 171.949 0.400 1 382 45 45 SER CA C 57.060 0.400 1 383 45 45 SER CB C 64.228 0.400 1 384 45 45 SER N N 114.334 0.400 1 385 46 46 PHE H H 9.267 0.020 1 386 46 46 PHE HA H 5.854 0.020 1 387 46 46 PHE HB2 H 2.497 0.020 2 388 46 46 PHE HB3 H 2.862 0.020 2 389 46 46 PHE HD1 H 6.958 0.020 1 390 46 46 PHE HD2 H 6.958 0.020 1 391 46 46 PHE HE1 H 6.646 0.020 1 392 46 46 PHE HE2 H 6.646 0.020 1 393 46 46 PHE HZ H 6.480 0.020 1 394 46 46 PHE C C 171.558 0.400 1 395 46 46 PHE CA C 55.656 0.400 1 396 46 46 PHE CB C 43.457 0.400 1 397 46 46 PHE CD1 C 132.307 0.400 1 398 46 46 PHE CD2 C 132.507 0.400 1 399 46 46 PHE CE1 C 130.378 0.400 1 400 46 46 PHE CE2 C 130.600 0.400 1 401 46 46 PHE CZ C 127.971 0.400 1 402 46 46 PHE N N 115.412 0.400 1 403 47 47 HIS H H 9.287 0.020 1 404 47 47 HIS HA H 5.050 0.020 1 405 47 47 HIS HB2 H 1.924 0.020 2 406 47 47 HIS HB3 H 2.489 0.020 2 407 47 47 HIS HD2 H 6.658 0.020 1 408 47 47 HIS HE1 H 8.040 0.020 1 409 47 47 HIS C C 173.511 0.400 1 410 47 47 HIS CA C 54.118 0.400 1 411 47 47 HIS CB C 32.516 0.400 1 412 47 47 HIS CD2 C 119.840 0.400 1 413 47 47 HIS CE1 C 136.445 0.400 1 414 47 47 HIS N N 118.235 0.400 1 415 48 48 VAL H H 8.744 0.020 1 416 48 48 VAL HA H 4.563 0.020 1 417 48 48 VAL HB H 1.619 0.020 1 418 48 48 VAL HG1 H 0.153 0.020 2 419 48 48 VAL HG2 H 0.587 0.020 2 420 48 48 VAL C C 175.555 0.400 1 421 48 48 VAL CA C 60.926 0.400 1 422 48 48 VAL CB C 33.518 0.400 1 423 48 48 VAL CG1 C 20.134 0.400 1 424 48 48 VAL CG2 C 20.867 0.400 1 425 48 48 VAL N N 119.188 0.400 1 426 49 49 PHE H H 9.128 0.020 1 427 49 49 PHE HA H 5.414 0.020 1 428 49 49 PHE HB2 H 3.161 0.020 2 429 49 49 PHE HB3 H 3.027 0.020 2 430 49 49 PHE HD1 H 7.105 0.020 1 431 49 49 PHE HD2 H 7.105 0.020 1 432 49 49 PHE HE1 H 7.135 0.020 1 433 49 49 PHE HE2 H 7.135 0.020 1 434 49 49 PHE HZ H 6.714 0.020 1 435 49 49 PHE C C 174.203 0.400 1 436 49 49 PHE CA C 55.908 0.400 1 437 49 49 PHE CB C 41.065 0.400 1 438 49 49 PHE CD1 C 131.283 0.400 1 439 49 49 PHE CD2 C 131.496 0.400 1 440 49 49 PHE CE1 C 131.029 0.400 1 441 49 49 PHE CE2 C 131.074 0.400 1 442 49 49 PHE CZ C 128.328 0.400 1 443 49 49 PHE N N 129.318 0.400 1 444 50 50 ASP H H 7.884 0.020 1 445 50 50 ASP HA H 4.522 0.020 1 446 50 50 ASP HB2 H 2.507 0.020 2 447 50 50 ASP HB3 H 3.385 0.020 2 448 50 50 ASP C C 176.246 0.400 1 449 50 50 ASP CA C 53.832 0.400 1 450 50 50 ASP CB C 40.199 0.400 1 451 50 50 ASP N N 114.807 0.400 1 452 51 51 GLN H H 9.425 0.020 1 453 51 51 GLN HA H 3.997 0.020 1 454 51 51 GLN HB2 H 2.280 0.020 1 455 51 51 GLN HB3 H 2.280 0.020 1 456 51 51 GLN HG2 H 2.465 0.020 2 457 51 51 GLN HG3 H 2.553 0.020 2 458 51 51 GLN HE21 H 7.575 0.020 2 459 51 51 GLN HE22 H 6.773 0.020 2 460 51 51 GLN C C 177.929 0.400 1 461 51 51 GLN CA C 59.924 0.400 1 462 51 51 GLN CB C 28.666 0.400 1 463 51 51 GLN CG C 34.141 0.400 1 464 51 51 GLN N N 121.212 0.400 1 465 51 51 GLN NE2 N 110.752 0.400 1 466 52 52 GLY H H 9.188 0.020 1 467 52 52 GLY HA2 H 3.962 0.020 2 468 52 52 GLY HA3 H 4.018 0.020 2 469 52 52 GLY C C 176.307 0.400 1 470 52 52 GLY CA C 46.879 0.400 1 471 52 52 GLY N N 108.889 0.400 1 472 53 53 GLN H H 7.959 0.020 1 473 53 53 GLN HA H 4.238 0.020 1 474 53 53 GLN HB2 H 2.168 0.020 1 475 53 53 GLN HB3 H 2.168 0.020 1 476 53 53 GLN HG2 H 2.492 0.020 2 477 53 53 GLN HG3 H 2.446 0.020 2 478 53 53 GLN HE21 H 7.928 0.020 2 479 53 53 GLN HE22 H 6.862 0.020 2 480 53 53 GLN C C 178.320 0.400 1 481 53 53 GLN CA C 58.013 0.400 1 482 53 53 GLN CB C 28.361 0.400 1 483 53 53 GLN CG C 33.515 0.400 1 484 53 53 GLN N N 123.993 0.400 1 485 53 53 GLN NE2 N 111.869 0.400 1 486 54 54 PHE H H 9.209 0.020 1 487 54 54 PHE HA H 4.072 0.020 1 488 54 54 PHE HB2 H 3.336 0.020 2 489 54 54 PHE HB3 H 3.204 0.020 2 490 54 54 PHE HD1 H 7.071 0.020 1 491 54 54 PHE HD2 H 7.071 0.020 1 492 54 54 PHE HE1 H 6.663 0.020 1 493 54 54 PHE HE2 H 6.663 0.020 1 494 54 54 PHE HZ H 6.255 0.020 1 495 54 54 PHE C C 177.599 0.400 1 496 54 54 PHE CA C 61.965 0.400 1 497 54 54 PHE CB C 39.524 0.400 1 498 54 54 PHE CD1 C 131.366 0.400 1 499 54 54 PHE CD2 C 131.584 0.400 1 500 54 54 PHE CE1 C 130.518 0.400 1 501 54 54 PHE CE2 C 130.600 0.400 1 502 54 54 PHE CZ C 128.600 0.400 1 503 54 54 PHE N N 121.568 0.400 1 504 55 55 ALA H H 8.849 0.020 1 505 55 55 ALA HA H 3.756 0.020 1 506 55 55 ALA HB H 1.572 0.020 1 507 55 55 ALA C C 176.216 0.400 1 508 55 55 ALA CA C 54.398 0.400 1 509 55 55 ALA CB C 18.489 0.400 1 510 55 55 ALA N N 121.199 0.400 1 511 56 56 LYS H H 7.161 0.020 1 512 56 56 LYS HA H 4.217 0.020 1 513 56 56 LYS HB2 H 1.964 0.020 2 514 56 56 LYS HB3 H 1.876 0.020 2 515 56 56 LYS HG2 H 1.587 0.020 2 516 56 56 LYS HG3 H 1.474 0.020 2 517 56 56 LYS HD2 H 1.719 0.020 1 518 56 56 LYS HD3 H 1.719 0.020 1 519 56 56 LYS HE2 H 3.009 0.020 1 520 56 56 LYS HE3 H 3.009 0.020 1 521 56 56 LYS C C 177.809 0.400 1 522 56 56 LYS CA C 57.898 0.400 1 523 56 56 LYS CB C 34.056 0.400 1 524 56 56 LYS CG C 24.910 0.400 1 525 56 56 LYS CD C 29.095 0.400 1 526 56 56 LYS CE C 41.780 0.400 1 527 56 56 LYS N N 112.691 0.400 1 528 57 57 GLU H H 8.362 0.020 1 529 57 57 GLU HA H 4.455 0.020 1 530 57 57 GLU HB2 H 1.935 0.020 2 531 57 57 GLU HB3 H 2.060 0.020 2 532 57 57 GLU HG2 H 2.333 0.020 2 533 57 57 GLU HG3 H 2.171 0.020 2 534 57 57 GLU C C 177.208 0.400 1 535 57 57 GLU CA C 57.268 0.400 1 536 57 57 GLU CB C 32.008 0.400 1 537 57 57 GLU CG C 35.753 0.400 1 538 57 57 GLU N N 113.775 0.400 1 539 58 58 VAL H H 7.846 0.020 1 540 58 58 VAL HA H 4.037 0.020 1 541 58 58 VAL HB H 1.598 0.020 1 542 58 58 VAL HG1 H 0.688 0.020 2 543 58 58 VAL HG2 H 1.001 0.020 2 544 58 58 VAL C C 176.667 0.400 1 545 58 58 VAL CA C 64.712 0.400 1 546 58 58 VAL CB C 31.597 0.400 1 547 58 58 VAL CG1 C 23.496 0.400 1 548 58 58 VAL CG2 C 22.955 0.400 1 549 58 58 VAL N N 119.325 0.400 1 550 59 59 LEU H H 7.112 0.020 1 551 59 59 LEU HA H 3.895 0.020 1 552 59 59 LEU HB2 H 1.845 0.020 2 553 59 59 LEU HB3 H 1.222 0.020 2 554 59 59 LEU HG H 0.829 0.020 1 555 59 59 LEU HD1 H 0.615 0.020 2 556 59 59 LEU HD2 H 0.179 0.020 2 557 59 59 LEU CA C 60.000 0.400 1 558 59 59 LEU CB C 38.352 0.400 1 559 59 59 LEU CG C 25.587 0.400 1 560 59 59 LEU CD1 C 24.730 0.400 1 561 59 59 LEU CD2 C 24.100 0.400 1 562 59 59 LEU N N 117.593 0.400 1 563 60 60 PRO HA H 4.093 0.020 1 564 60 60 PRO HB2 H 2.107 0.020 2 565 60 60 PRO HB3 H 1.623 0.020 2 566 60 60 PRO HG2 H 1.908 0.020 2 567 60 60 PRO HG3 H 1.741 0.020 2 568 60 60 PRO HD2 H 3.822 0.020 2 569 60 60 PRO HD3 H 2.865 0.020 2 570 60 60 PRO C C 178.771 0.400 1 571 60 60 PRO CA C 65.984 0.400 1 572 60 60 PRO CB C 30.984 0.400 1 573 60 60 PRO CG C 28.276 0.400 1 574 60 60 PRO CD C 50.593 0.400 1 575 61 61 LYS H H 6.726 0.020 1 576 61 61 LYS HA H 3.862 0.020 1 577 61 61 LYS HB2 H 1.756 0.020 2 578 61 61 LYS HB3 H 1.572 0.020 2 579 61 61 LYS HG2 H 1.193 0.020 2 580 61 61 LYS HG3 H 0.705 0.020 2 581 61 61 LYS HD2 H 1.572 0.020 2 582 61 61 LYS HD3 H 1.518 0.020 2 583 61 61 LYS HE2 H 2.824 0.020 1 584 61 61 LYS HE3 H 2.824 0.020 1 585 61 61 LYS C C 177.058 0.400 1 586 61 61 LYS CA C 58.328 0.400 1 587 61 61 LYS CB C 32.625 0.400 1 588 61 61 LYS CG C 24.910 0.400 1 589 61 61 LYS CD C 29.103 0.400 1 590 61 61 LYS CE C 41.780 0.400 1 591 61 61 LYS N N 115.571 0.400 1 592 62 62 TYR H H 7.452 0.020 1 593 62 62 TYR HA H 4.082 0.020 1 594 62 62 TYR HB2 H 1.811 0.020 2 595 62 62 TYR HB3 H 2.052 0.020 2 596 62 62 TYR HD1 H 7.031 0.020 1 597 62 62 TYR HD2 H 7.031 0.020 1 598 62 62 TYR HE1 H 6.685 0.020 1 599 62 62 TYR HE2 H 6.685 0.020 1 600 62 62 TYR C C 175.390 0.400 1 601 62 62 TYR CA C 59.968 0.400 1 602 62 62 TYR CB C 40.388 0.400 1 603 62 62 TYR CD1 C 133.230 0.400 1 604 62 62 TYR CD2 C 133.253 0.400 1 605 62 62 TYR CE1 C 118.051 0.400 1 606 62 62 TYR CE2 C 117.910 0.400 1 607 62 62 TYR N N 113.391 0.400 1 608 63 63 PHE H H 8.421 0.020 1 609 63 63 PHE HA H 4.947 0.020 1 610 63 63 PHE HB2 H 3.572 0.020 2 611 63 63 PHE HB3 H 2.478 0.020 2 612 63 63 PHE HD1 H 7.394 0.020 1 613 63 63 PHE HD2 H 7.394 0.020 1 614 63 63 PHE HE1 H 7.047 0.020 1 615 63 63 PHE HE2 H 7.047 0.020 1 616 63 63 PHE HZ H 6.653 0.020 1 617 63 63 PHE C C 174.443 0.400 1 618 63 63 PHE CA C 55.140 0.400 1 619 63 63 PHE CB C 40.930 0.400 1 620 63 63 PHE CD1 C 132.181 0.400 1 621 63 63 PHE CD2 C 132.291 0.400 1 622 63 63 PHE CE1 C 131.070 0.400 1 623 63 63 PHE CE2 C 131.220 0.400 1 624 63 63 PHE CZ C 128.194 0.400 1 625 63 63 PHE N N 115.028 0.400 1 626 64 64 LYS H H 7.769 0.020 1 627 64 64 LYS HA H 4.175 0.020 1 628 64 64 LYS HB2 H 2.010 0.020 1 629 64 64 LYS HB3 H 2.010 0.020 1 630 64 64 LYS HG2 H 1.257 0.020 2 631 64 64 LYS HG3 H 1.333 0.020 2 632 64 64 LYS HD2 H 1.642 0.020 2 633 64 64 LYS HD3 H 1.639 0.020 2 634 64 64 LYS HE2 H 2.938 0.020 1 635 64 64 LYS HE3 H 2.938 0.020 1 636 64 64 LYS C C 174.864 0.400 1 637 64 64 LYS CA C 57.244 0.400 1 638 64 64 LYS CB C 29.070 0.400 1 639 64 64 LYS CG C 24.910 0.400 1 640 64 64 LYS CD C 28.780 0.400 1 641 64 64 LYS CE C 41.941 0.400 1 642 64 64 LYS N N 115.083 0.400 1 643 65 65 HIS H H 7.406 0.020 1 644 65 65 HIS HA H 4.702 0.020 1 645 65 65 HIS HB2 H 3.220 0.020 2 646 65 65 HIS HB3 H 3.157 0.020 2 647 65 65 HIS HD2 H 6.978 0.020 1 648 65 65 HIS HE1 H 7.732 0.020 1 649 65 65 HIS C C 172.309 0.400 1 650 65 65 HIS CA C 55.620 0.400 1 651 65 65 HIS CB C 32.550 0.400 1 652 65 65 HIS CD2 C 118.439 0.400 1 653 65 65 HIS CE1 C 138.301 0.400 1 654 65 65 HIS N N 114.996 0.400 1 655 66 66 ASN H H 8.077 0.020 1 656 66 66 ASN HA H 5.007 0.020 1 657 66 66 ASN HB2 H 2.620 0.020 2 658 66 66 ASN HB3 H 3.141 0.020 2 659 66 66 ASN HD21 H 7.453 0.020 2 660 66 66 ASN HD22 H 6.857 0.020 2 661 66 66 ASN CA C 51.765 0.400 1 662 66 66 ASN CB C 39.532 0.400 1 663 66 66 ASN N N 115.813 0.400 1 664 66 66 ASN ND2 N 110.696 0.400 1 665 67 67 ASN H H 8.078 0.020 1 666 67 67 ASN HA H 4.879 0.020 1 667 67 67 ASN HB2 H 2.817 0.020 2 668 67 67 ASN HB3 H 3.142 0.020 2 669 67 67 ASN HD21 H 7.640 0.020 2 670 67 67 ASN HD22 H 6.944 0.020 2 671 67 67 ASN C C 174.563 0.400 1 672 67 67 ASN CA C 52.736 0.400 1 673 67 67 ASN CB C 40.106 0.400 1 674 67 67 ASN ND2 N 112.430 0.400 1 675 68 68 MET H H 9.152 0.020 1 676 68 68 MET HA H 4.387 0.020 1 677 68 68 MET HB2 H 2.012 0.020 2 678 68 68 MET HB3 H 2.359 0.020 2 679 68 68 MET HG2 H 3.011 0.020 2 680 68 68 MET HG3 H 2.807 0.020 2 681 68 68 MET HE H 2.098 0.020 1 682 68 68 MET C C 177.208 0.400 1 683 68 68 MET CA C 57.479 0.400 1 684 68 68 MET CB C 32.003 0.400 1 685 68 68 MET CG C 32.070 0.400 1 686 68 68 MET CE C 16.765 0.400 1 687 68 68 MET N N 125.636 0.400 1 688 69 69 ALA H H 8.451 0.020 1 689 69 69 ALA HA H 4.161 0.020 1 690 69 69 ALA HB H 1.476 0.020 1 691 69 69 ALA C C 181.025 0.400 1 692 69 69 ALA CA C 55.202 0.400 1 693 69 69 ALA CB C 17.281 0.400 1 694 69 69 ALA N N 120.436 0.400 1 695 70 70 SER H H 8.080 0.020 1 696 70 70 SER HA H 4.096 0.020 1 697 70 70 SER HB2 H 3.792 0.020 2 698 70 70 SER HB3 H 3.709 0.020 2 699 70 70 SER C C 176.096 0.400 1 700 70 70 SER CA C 60.871 0.400 1 701 70 70 SER CB C 62.384 0.400 1 702 70 70 SER N N 114.621 0.400 1 703 71 71 PHE H H 7.663 0.020 1 704 71 71 PHE HA H 4.253 0.020 1 705 71 71 PHE HB2 H 3.081 0.020 2 706 71 71 PHE HB3 H 3.638 0.020 2 707 71 71 PHE HD1 H 7.076 0.020 1 708 71 71 PHE HD2 H 7.076 0.020 1 709 71 71 PHE HE1 H 6.649 0.020 1 710 71 71 PHE HE2 H 6.649 0.020 1 711 71 71 PHE HZ H 6.256 0.020 1 712 71 71 PHE C C 175.916 0.400 1 713 71 71 PHE CA C 60.688 0.400 1 714 71 71 PHE CB C 39.795 0.400 1 715 71 71 PHE CD1 C 132.050 0.400 1 716 71 71 PHE CD2 C 131.987 0.400 1 717 71 71 PHE CE1 C 130.429 0.400 1 718 71 71 PHE CE2 C 130.600 0.400 1 719 71 71 PHE CZ C 128.594 0.400 1 720 71 71 PHE N N 124.107 0.400 1 721 72 72 VAL H H 8.712 0.020 1 722 72 72 VAL HA H 3.114 0.020 1 723 72 72 VAL HB H 2.134 0.020 1 724 72 72 VAL HG1 H 1.009 0.020 2 725 72 72 VAL HG2 H 1.243 0.020 2 726 72 72 VAL C C 177.629 0.400 1 727 72 72 VAL CA C 66.527 0.400 1 728 72 72 VAL CB C 31.434 0.400 1 729 72 72 VAL CG1 C 21.329 0.400 1 730 72 72 VAL CG2 C 23.452 0.400 1 731 72 72 VAL N N 118.726 0.400 1 732 73 73 ARG H H 8.044 0.020 1 733 73 73 ARG HA H 4.006 0.020 1 734 73 73 ARG HB2 H 1.919 0.020 2 735 73 73 ARG HB3 H 1.846 0.020 2 736 73 73 ARG HG2 H 1.508 0.020 2 737 73 73 ARG HG3 H 1.747 0.020 2 738 73 73 ARG HD2 H 3.169 0.020 1 739 73 73 ARG HD3 H 3.169 0.020 1 740 73 73 ARG C C 178.981 0.400 1 741 73 73 ARG CA C 59.712 0.400 1 742 73 73 ARG CB C 29.567 0.400 1 743 73 73 ARG CG C 27.605 0.400 1 744 73 73 ARG CD C 43.213 0.400 1 745 73 73 ARG N N 120.255 0.400 1 746 74 74 GLN H H 7.421 0.020 1 747 74 74 GLN HA H 3.725 0.020 1 748 74 74 GLN HB2 H 1.003 0.020 2 749 74 74 GLN HB3 H 1.616 0.020 2 750 74 74 GLN HG2 H 1.846 0.020 2 751 74 74 GLN HG3 H 1.649 0.020 2 752 74 74 GLN HE21 H 6.723 0.020 2 753 74 74 GLN HE22 H 6.645 0.020 2 754 74 74 GLN C C 177.599 0.400 1 755 74 74 GLN CA C 58.855 0.400 1 756 74 74 GLN CB C 27.766 0.400 1 757 74 74 GLN CG C 33.720 0.400 1 758 74 74 GLN N N 119.507 0.400 1 759 74 74 GLN NE2 N 111.277 0.400 1 760 75 75 LEU H H 7.439 0.020 1 761 75 75 LEU HA H 3.672 0.020 1 762 75 75 LEU HB2 H 1.571 0.020 2 763 75 75 LEU HB3 H 0.582 0.020 2 764 75 75 LEU HG H 0.659 0.020 1 765 75 75 LEU HD1 H -0.761 0.020 2 766 75 75 LEU HD2 H -0.522 0.020 2 767 75 75 LEU C C 180.123 0.400 1 768 75 75 LEU CA C 57.877 0.400 1 769 75 75 LEU CB C 39.877 0.400 1 770 75 75 LEU CG C 24.832 0.400 1 771 75 75 LEU CD1 C 24.730 0.400 1 772 75 75 LEU CD2 C 21.859 0.400 1 773 75 75 LEU N N 117.285 0.400 1 774 76 76 ASN H H 8.536 0.020 1 775 76 76 ASN HA H 4.553 0.020 1 776 76 76 ASN HB2 H 2.869 0.020 2 777 76 76 ASN HB3 H 2.916 0.020 2 778 76 76 ASN HD21 H 7.520 0.020 2 779 76 76 ASN HD22 H 6.919 0.020 2 780 76 76 ASN C C 179.282 0.400 1 781 76 76 ASN CA C 56.481 0.400 1 782 76 76 ASN CB C 38.536 0.400 1 783 76 76 ASN N N 118.452 0.400 1 784 76 76 ASN ND2 N 110.650 0.400 1 785 77 77 MET H H 8.185 0.020 1 786 77 77 MET HA H 4.133 0.020 1 787 77 77 MET HB2 H 2.056 0.020 2 788 77 77 MET HB3 H 1.896 0.020 2 789 77 77 MET HG2 H 2.419 0.020 2 790 77 77 MET HG3 H 2.298 0.020 2 791 77 77 MET HE H 1.823 0.020 1 792 77 77 MET C C 176.637 0.400 1 793 77 77 MET CA C 58.104 0.400 1 794 77 77 MET CB C 31.974 0.400 1 795 77 77 MET CG C 31.605 0.400 1 796 77 77 MET CE C 16.765 0.400 1 797 77 77 MET N N 121.614 0.400 1 798 78 78 TYR H H 7.505 0.020 1 799 78 78 TYR HA H 4.765 0.020 1 800 78 78 TYR HB2 H 2.819 0.020 2 801 78 78 TYR HB3 H 3.685 0.020 2 802 78 78 TYR HD1 H 7.099 0.020 1 803 78 78 TYR HD2 H 7.099 0.020 1 804 78 78 TYR HE1 H 6.669 0.020 1 805 78 78 TYR HE2 H 6.669 0.020 1 806 78 78 TYR C C 174.413 0.400 1 807 78 78 TYR CA C 59.191 0.400 1 808 78 78 TYR CB C 38.851 0.400 1 809 78 78 TYR CD1 C 133.230 0.400 1 810 78 78 TYR CD2 C 133.253 0.400 1 811 78 78 TYR CE1 C 117.541 0.400 1 812 78 78 TYR CE2 C 117.788 0.400 1 813 78 78 TYR N N 115.682 0.400 1 814 79 79 GLY H H 7.954 0.020 1 815 79 79 GLY HA2 H 3.909 0.020 2 816 79 79 GLY HA3 H 4.296 0.020 2 817 79 79 GLY C C 176.066 0.400 1 818 79 79 GLY CA C 46.149 0.400 1 819 79 79 GLY N N 103.999 0.400 1 820 80 80 PHE H H 8.316 0.020 1 821 80 80 PHE HA H 4.620 0.020 1 822 80 80 PHE HB2 H 2.999 0.020 2 823 80 80 PHE HB3 H 2.605 0.020 2 824 80 80 PHE HD1 H 7.333 0.020 1 825 80 80 PHE HD2 H 7.333 0.020 1 826 80 80 PHE HE1 H 6.709 0.020 1 827 80 80 PHE HE2 H 6.709 0.020 1 828 80 80 PHE HZ H 6.249 0.020 1 829 80 80 PHE C C 175.856 0.400 1 830 80 80 PHE CA C 58.796 0.400 1 831 80 80 PHE CB C 39.896 0.400 1 832 80 80 PHE CD1 C 131.969 0.400 1 833 80 80 PHE CD2 C 132.159 0.400 1 834 80 80 PHE CE1 C 130.716 0.400 1 835 80 80 PHE CE2 C 130.600 0.400 1 836 80 80 PHE CZ C 129.140 0.400 1 837 80 80 PHE N N 118.914 0.400 1 838 81 81 ARG H H 9.166 0.020 1 839 81 81 ARG HA H 4.790 0.020 1 840 81 81 ARG HB2 H 1.868 0.020 2 841 81 81 ARG HB3 H 1.784 0.020 2 842 81 81 ARG HG2 H 1.642 0.020 1 843 81 81 ARG HG3 H 1.642 0.020 1 844 81 81 ARG HD2 H 3.195 0.020 2 845 81 81 ARG HD3 H 3.197 0.020 2 846 81 81 ARG C C 174.984 0.400 1 847 81 81 ARG CA C 54.212 0.400 1 848 81 81 ARG CB C 33.145 0.400 1 849 81 81 ARG CG C 27.310 0.400 1 850 81 81 ARG CD C 43.100 0.400 1 851 81 81 ARG N N 121.147 0.400 1 852 82 82 LYS H H 8.627 0.020 1 853 82 82 LYS HA H 4.534 0.020 1 854 82 82 LYS HB2 H 1.483 0.020 2 855 82 82 LYS HB3 H 1.559 0.020 2 856 82 82 LYS HG2 H 0.790 0.020 2 857 82 82 LYS HG3 H 0.953 0.020 2 858 82 82 LYS HD2 H 1.520 0.020 2 859 82 82 LYS HD3 H 1.484 0.020 2 860 82 82 LYS HE2 H 2.822 0.020 1 861 82 82 LYS HE3 H 2.822 0.020 1 862 82 82 LYS C C 176.096 0.400 1 863 82 82 LYS CA C 55.127 0.400 1 864 82 82 LYS CB C 33.460 0.400 1 865 82 82 LYS CG C 24.645 0.400 1 866 82 82 LYS CD C 29.200 0.400 1 867 82 82 LYS CE C 41.544 0.400 1 868 82 82 LYS N N 124.110 0.400 1 869 83 83 VAL H H 8.521 0.020 1 870 83 83 VAL HA H 3.799 0.020 1 871 83 83 VAL HB H 1.461 0.020 1 872 83 83 VAL HG1 H 0.543 0.020 2 873 83 83 VAL HG2 H 0.629 0.020 2 874 83 83 VAL C C 174.714 0.400 1 875 83 83 VAL CA C 61.983 0.400 1 876 83 83 VAL CB C 32.778 0.400 1 877 83 83 VAL CG1 C 20.385 0.400 1 878 83 83 VAL CG2 C 20.817 0.400 1 879 83 83 VAL N N 128.638 0.400 1 880 84 84 VAL H H 8.309 0.020 1 881 84 84 VAL HA H 3.957 0.020 1 882 84 84 VAL HB H 1.918 0.020 1 883 84 84 VAL HG1 H 0.841 0.020 2 884 84 84 VAL HG2 H 0.869 0.020 2 885 84 84 VAL C C 175.495 0.400 1 886 84 84 VAL CA C 61.897 0.400 1 887 84 84 VAL CB C 32.476 0.400 1 888 84 84 VAL CG1 C 20.767 0.400 1 889 84 84 VAL CG2 C 20.718 0.400 1 890 84 84 VAL N N 127.052 0.400 1 891 85 85 HIS H H 8.675 0.020 1 892 85 85 HIS HA H 4.800 0.020 1 893 85 85 HIS HB2 H 3.206 0.020 2 894 85 85 HIS HB3 H 3.115 0.020 2 895 85 85 HIS HD2 H 7.078 0.020 1 896 85 85 HIS HE1 H 8.281 0.020 1 897 85 85 HIS C C 174.473 0.400 1 898 85 85 HIS CA C 55.079 0.400 1 899 85 85 HIS CB C 29.967 0.400 1 900 85 85 HIS CD2 C 119.727 0.400 1 901 85 85 HIS CE1 C 136.914 0.400 1 902 85 85 HIS N N 125.850 0.400 1 903 86 86 ILE H H 8.418 0.020 1 904 86 86 ILE HA H 4.227 0.020 1 905 86 86 ILE HB H 1.856 0.020 1 906 86 86 ILE HG12 H 1.471 0.020 2 907 86 86 ILE HG13 H 1.190 0.020 2 908 86 86 ILE HG2 H 0.888 0.020 1 909 86 86 ILE HD1 H 0.860 0.020 1 910 86 86 ILE C C 175.820 0.400 1 911 86 86 ILE CA C 60.976 0.400 1 912 86 86 ILE CB C 39.047 0.400 1 913 86 86 ILE CG1 C 26.982 0.400 1 914 86 86 ILE CG2 C 17.360 0.400 1 915 86 86 ILE CD1 C 12.478 0.400 1 916 86 86 ILE N N 123.030 0.400 1 917 87 87 GLU H H 8.778 0.020 1 918 87 87 GLU HA H 4.353 0.020 1 919 87 87 GLU HB2 H 2.072 0.020 2 920 87 87 GLU HB3 H 1.951 0.020 2 921 87 87 GLU HG2 H 2.292 0.020 2 922 87 87 GLU HG3 H 2.290 0.020 2 923 87 87 GLU C C 176.186 0.400 1 924 87 87 GLU CA C 55.984 0.400 1 925 87 87 GLU CB C 30.029 0.400 1 926 87 87 GLU CG C 36.010 0.400 1 927 87 87 GLU N N 126.020 0.400 1 928 88 88 GLN H H 8.644 0.020 1 929 88 88 GLN HA H 4.331 0.020 1 930 88 88 GLN HB2 H 2.153 0.020 2 931 88 88 GLN HB3 H 2.004 0.020 2 932 88 88 GLN HG2 H 2.388 0.020 2 933 88 88 GLN HG3 H 2.392 0.020 2 934 88 88 GLN HE21 H 7.593 0.020 2 935 88 88 GLN HE22 H 6.882 0.020 2 936 88 88 GLN C C 176.390 0.400 1 937 88 88 GLN CA C 56.184 0.400 1 938 88 88 GLN CB C 29.228 0.400 1 939 88 88 GLN CG C 33.720 0.400 1 940 88 88 GLN N N 122.181 0.400 1 941 88 88 GLN NE2 N 112.211 0.400 1 942 89 89 GLY H H 8.625 0.020 1 943 89 89 GLY HA2 H 3.956 0.020 2 944 89 89 GLY HA3 H 4.002 0.020 2 945 89 89 GLY C C 174.593 0.400 1 946 89 89 GLY CA C 45.239 0.400 1 947 89 89 GLY N N 110.175 0.400 1 948 90 90 GLY H H 8.337 0.020 1 949 90 90 GLY HA2 H 3.958 0.020 2 950 90 90 GLY HA3 H 3.974 0.020 2 951 90 90 GLY C C 173.842 0.400 1 952 90 90 GLY CA C 45.109 0.400 1 953 90 90 GLY N N 108.580 0.400 1 954 91 91 LEU H H 8.099 0.020 1 955 91 91 LEU HA H 4.361 0.020 1 956 91 91 LEU HB2 H 1.650 0.020 2 957 91 91 LEU HB3 H 1.593 0.020 2 958 91 91 LEU HG H 1.606 0.020 1 959 91 91 LEU HD1 H 0.928 0.020 2 960 91 91 LEU HD2 H 0.866 0.020 2 961 91 91 LEU C C 177.148 0.400 1 962 91 91 LEU CA C 55.204 0.400 1 963 91 91 LEU CB C 42.440 0.400 1 964 91 91 LEU CG C 26.770 0.400 1 965 91 91 LEU CD1 C 24.730 0.400 1 966 91 91 LEU CD2 C 23.170 0.400 1 967 91 91 LEU N N 121.292 0.400 1 968 92 92 VAL H H 8.079 0.020 1 969 92 92 VAL HA H 4.074 0.020 1 970 92 92 VAL HB H 2.027 0.020 1 971 92 92 VAL HG1 H 0.922 0.020 1 972 92 92 VAL HG2 H 0.923 0.020 1 973 92 92 VAL C C 175.690 0.400 1 974 92 92 VAL CA C 62.179 0.400 1 975 92 92 VAL CB C 32.842 0.400 1 976 92 92 VAL CG1 C 20.767 0.400 1 977 92 92 VAL CG2 C 20.718 0.400 1 978 92 92 VAL N N 120.593 0.400 1 979 93 93 LYS H H 8.390 0.020 1 980 93 93 LYS HA H 4.625 0.020 1 981 93 93 LYS HB2 H 1.733 0.020 2 982 93 93 LYS HB3 H 1.851 0.020 2 983 93 93 LYS HG2 H 1.435 0.020 2 984 93 93 LYS HG3 H 1.476 0.020 2 985 93 93 LYS HD2 H 1.703 0.020 1 986 93 93 LYS HD3 H 1.703 0.020 1 987 93 93 LYS HE2 H 3.013 0.020 2 988 93 93 LYS HE3 H 3.018 0.020 2 989 93 93 LYS CA C 53.879 0.400 1 990 93 93 LYS CB C 32.463 0.400 1 991 93 93 LYS CG C 24.181 0.400 1 992 93 93 LYS CD C 28.780 0.400 1 993 93 93 LYS CE C 41.780 0.400 1 994 93 93 LYS N N 126.113 0.400 1 995 94 94 PRO HA H 4.449 0.020 1 996 94 94 PRO HB2 H 1.979 0.020 2 997 94 94 PRO HB3 H 2.344 0.020 2 998 94 94 PRO HG2 H 2.036 0.020 2 999 94 94 PRO HG3 H 2.076 0.020 2 1000 94 94 PRO HD2 H 3.701 0.020 2 1001 94 94 PRO HD3 H 3.826 0.020 2 1002 94 94 PRO C C 176.998 0.400 1 1003 94 94 PRO CA C 62.894 0.400 1 1004 94 94 PRO CB C 32.003 0.400 1 1005 94 94 PRO CG C 27.140 0.400 1 1006 94 94 PRO CD C 50.547 0.400 1 1007 95 95 GLU H H 8.659 0.020 1 1008 95 95 GLU HA H 4.253 0.020 1 1009 95 95 GLU HB2 H 2.074 0.020 2 1010 95 95 GLU HB3 H 1.967 0.020 2 1011 95 95 GLU HG2 H 2.283 0.020 2 1012 95 95 GLU HG3 H 2.337 0.020 2 1013 95 95 GLU C C 176.337 0.400 1 1014 95 95 GLU CA C 57.205 0.400 1 1015 95 95 GLU CB C 30.017 0.400 1 1016 95 95 GLU CG C 36.010 0.400 1 1017 95 95 GLU N N 121.342 0.400 1 1018 96 96 ARG H H 8.136 0.020 1 1019 96 96 ARG HA H 4.476 0.020 1 1020 96 96 ARG HB2 H 1.838 0.020 2 1021 96 96 ARG HB3 H 1.925 0.020 2 1022 96 96 ARG HG2 H 1.693 0.020 1 1023 96 96 ARG HG3 H 1.692 0.020 1 1024 96 96 ARG HD2 H 3.171 0.020 1 1025 96 96 ARG HD3 H 3.172 0.020 1 1026 96 96 ARG HE H 7.328 0.020 1 1027 96 96 ARG C C 175.134 0.400 1 1028 96 96 ARG CA C 55.352 0.400 1 1029 96 96 ARG CB C 31.111 0.400 1 1030 96 96 ARG CG C 26.601 0.400 1 1031 96 96 ARG CD C 43.364 0.400 1 1032 96 96 ARG N N 119.745 0.400 1 1033 96 96 ARG NE N 84.336 0.400 1 1034 97 97 ASP H H 8.445 0.020 1 1035 97 97 ASP HA H 4.602 0.020 1 1036 97 97 ASP HB2 H 2.850 0.020 2 1037 97 97 ASP HB3 H 2.767 0.020 2 1038 97 97 ASP C C 174.383 0.400 1 1039 97 97 ASP CA C 54.295 0.400 1 1040 97 97 ASP CB C 41.420 0.400 1 1041 97 97 ASP N N 121.784 0.400 1 1042 98 98 ASP H H 7.992 0.020 1 1043 98 98 ASP HA H 5.093 0.020 1 1044 98 98 ASP HB2 H 2.779 0.020 2 1045 98 98 ASP HB3 H 2.777 0.020 2 1046 98 98 ASP C C 175.525 0.400 1 1047 98 98 ASP CA C 53.590 0.400 1 1048 98 98 ASP CB C 42.852 0.400 1 1049 98 98 ASP N N 120.991 0.400 1 1050 99 99 THR H H 8.581 0.020 1 1051 99 99 THR HA H 4.241 0.020 1 1052 99 99 THR HB H 3.621 0.020 1 1053 99 99 THR HG2 H 0.580 0.020 1 1054 99 99 THR C C 170.326 0.400 1 1055 99 99 THR CA C 61.723 0.400 1 1056 99 99 THR CB C 69.838 0.400 1 1057 99 99 THR CG2 C 22.159 0.400 1 1058 99 99 THR N N 123.427 0.400 1 1059 100 100 GLU H H 8.604 0.020 1 1060 100 100 GLU HA H 4.783 0.020 1 1061 100 100 GLU HB2 H 1.051 0.020 2 1062 100 100 GLU HB3 H 1.753 0.020 2 1063 100 100 GLU HG2 H 1.265 0.020 2 1064 100 100 GLU HG3 H 1.582 0.020 2 1065 100 100 GLU C C 173.301 0.400 1 1066 100 100 GLU CA C 52.795 0.400 1 1067 100 100 GLU CB C 32.974 0.400 1 1068 100 100 GLU CG C 34.829 0.400 1 1069 100 100 GLU N N 129.229 0.400 1 1070 101 101 PHE H H 8.363 0.020 1 1071 101 101 PHE HA H 5.393 0.020 1 1072 101 101 PHE HB2 H 2.382 0.020 2 1073 101 101 PHE HB3 H 1.286 0.020 2 1074 101 101 PHE HD1 H 6.455 0.020 1 1075 101 101 PHE HD2 H 6.455 0.020 1 1076 101 101 PHE HE1 H 6.885 0.020 1 1077 101 101 PHE HE2 H 6.885 0.020 1 1078 101 101 PHE HZ H 6.954 0.020 1 1079 101 101 PHE C C 174.804 0.400 1 1080 101 101 PHE CA C 55.882 0.400 1 1081 101 101 PHE CB C 44.143 0.400 1 1082 101 101 PHE CD1 C 131.737 0.400 1 1083 101 101 PHE CD2 C 131.832 0.400 1 1084 101 101 PHE CE1 C 130.308 0.400 1 1085 101 101 PHE CE2 C 130.084 0.400 1 1086 101 101 PHE CZ C 129.294 0.400 1 1087 101 101 PHE N N 122.583 0.400 1 1088 102 102 GLN H H 8.945 0.020 1 1089 102 102 GLN HA H 5.440 0.020 1 1090 102 102 GLN HB2 H 1.943 0.020 2 1091 102 102 GLN HB3 H 1.992 0.020 2 1092 102 102 GLN HG2 H 2.486 0.020 2 1093 102 102 GLN HG3 H 2.280 0.020 2 1094 102 102 GLN HE21 H 7.223 0.020 2 1095 102 102 GLN HE22 H 6.672 0.020 2 1096 102 102 GLN C C 174.052 0.400 1 1097 102 102 GLN CA C 54.603 0.400 1 1098 102 102 GLN CB C 32.742 0.400 1 1099 102 102 GLN CG C 32.820 0.400 1 1100 102 102 GLN N N 116.182 0.400 1 1101 102 102 GLN NE2 N 108.779 0.400 1 1102 103 103 HIS H H 10.118 0.020 1 1103 103 103 HIS HA H 4.595 0.020 1 1104 103 103 HIS HB2 H 2.385 0.020 2 1105 103 103 HIS HB3 H 1.517 0.020 2 1106 103 103 HIS HD2 H 6.402 0.020 1 1107 103 103 HIS HE1 H 7.685 0.020 1 1108 103 103 HIS CA C 55.382 0.400 1 1109 103 103 HIS CB C 34.518 0.400 1 1110 103 103 HIS CD2 C 118.369 0.400 1 1111 103 103 HIS CE1 C 137.382 0.400 1 1112 103 103 HIS N N 127.562 0.400 1 1113 104 104 PRO HA H 4.458 0.020 1 1114 104 104 PRO HB2 H 2.066 0.020 2 1115 104 104 PRO HB3 H 2.398 0.020 2 1116 104 104 PRO HG2 H 1.854 0.020 2 1117 104 104 PRO HG3 H 1.908 0.020 2 1118 104 104 PRO HD2 H 3.419 0.020 2 1119 104 104 PRO HD3 H 2.451 0.020 2 1120 104 104 PRO C C 177.509 0.400 1 1121 104 104 PRO CA C 64.890 0.400 1 1122 104 104 PRO CB C 32.625 0.400 1 1123 104 104 PRO CG C 27.140 0.400 1 1124 104 104 PRO CD C 50.913 0.400 1 1125 105 105 CYS H H 11.462 0.020 1 1126 105 105 CYS HA H 4.656 0.020 1 1127 105 105 CYS HB2 H 2.533 0.020 2 1128 105 105 CYS HB3 H 3.604 0.020 2 1129 105 105 CYS C C 171.919 0.400 1 1130 105 105 CYS CA C 58.328 0.400 1 1131 105 105 CYS CB C 28.250 0.400 1 1132 105 105 CYS N N 117.508 0.400 1 1133 106 106 PHE H H 8.281 0.020 1 1134 106 106 PHE HA H 4.943 0.020 1 1135 106 106 PHE HB2 H 2.433 0.020 2 1136 106 106 PHE HB3 H 3.853 0.020 2 1137 106 106 PHE HD1 H 7.545 0.020 1 1138 106 106 PHE HD2 H 7.545 0.020 1 1139 106 106 PHE C C 171.648 0.400 1 1140 106 106 PHE CA C 56.687 0.400 1 1141 106 106 PHE CB C 42.468 0.400 1 1142 106 106 PHE CD1 C 132.785 0.400 1 1143 106 106 PHE CD2 C 132.796 0.400 1 1144 106 106 PHE N N 126.227 0.400 1 1145 107 107 LEU H H 9.542 0.020 1 1146 107 107 LEU HA H 4.992 0.020 1 1147 107 107 LEU HB2 H 1.373 0.020 2 1148 107 107 LEU HB3 H 1.404 0.020 2 1149 107 107 LEU HG H 1.455 0.020 1 1150 107 107 LEU HD1 H 0.868 0.020 2 1151 107 107 LEU HD2 H 1.093 0.020 2 1152 107 107 LEU C C 176.970 0.400 1 1153 107 107 LEU CA C 53.406 0.400 1 1154 107 107 LEU CB C 47.013 0.400 1 1155 107 107 LEU CG C 26.770 0.400 1 1156 107 107 LEU CD1 C 25.622 0.400 1 1157 107 107 LEU CD2 C 24.100 0.400 1 1158 107 107 LEU N N 123.183 0.400 1 1159 108 108 ARG H H 7.220 0.020 1 1160 108 108 ARG HA H 2.642 0.020 1 1161 108 108 ARG HB2 H -0.409 0.020 2 1162 108 108 ARG HB3 H 1.131 0.020 2 1163 108 108 ARG CA C 57.415 0.400 1 1164 108 108 ARG CB C 29.890 0.400 1 1165 108 108 ARG CG C 26.089 0.400 1 1166 108 108 ARG CD C 43.664 0.400 1 1167 108 108 ARG N N 125.016 0.400 1 1168 110 110 GLN HA H 5.083 0.020 1 1169 110 110 GLN HB2 H 2.184 0.020 2 1170 110 110 GLN HB3 H 1.745 0.020 2 1171 110 110 GLN HG2 H 2.160 0.020 2 1172 110 110 GLN HG3 H 2.203 0.020 2 1173 110 110 GLN HE21 H 7.418 0.020 2 1174 110 110 GLN HE22 H 6.732 0.020 2 1175 110 110 GLN C C 176.757 0.400 1 1176 110 110 GLN CA C 53.021 0.400 1 1177 110 110 GLN CB C 28.461 0.400 1 1178 110 110 GLN CG C 32.553 0.400 1 1179 110 110 GLN NE2 N 112.072 0.400 1 1180 111 111 GLU H H 8.879 0.020 1 1181 111 111 GLU HA H 2.492 0.020 1 1182 111 111 GLU HG2 H 1.686 0.020 2 1183 111 111 GLU HG3 H 1.085 0.020 2 1184 111 111 GLU C C 177.839 0.400 1 1185 111 111 GLU CA C 58.922 0.400 1 1186 111 111 GLU CB C 28.348 0.400 1 1187 111 111 GLU CG C 35.169 0.400 1 1188 111 111 GLU N N 126.825 0.400 1 1189 112 112 GLN H H 8.920 0.020 1 1190 112 112 GLN HA H 3.956 0.020 1 1191 112 112 GLN HB2 H 2.003 0.020 1 1192 112 112 GLN HB3 H 2.004 0.020 1 1193 112 112 GLN HG2 H 2.238 0.020 2 1194 112 112 GLN HG3 H 2.469 0.020 2 1195 112 112 GLN HE21 H 7.576 0.020 2 1196 112 112 GLN HE22 H 7.027 0.020 2 1197 112 112 GLN C C 177.449 0.400 1 1198 112 112 GLN CA C 57.918 0.400 1 1199 112 112 GLN CB C 26.466 0.400 1 1200 112 112 GLN CG C 33.041 0.400 1 1201 112 112 GLN N N 118.103 0.400 1 1202 112 112 GLN NE2 N 111.575 0.400 1 1203 113 113 LEU H H 7.311 0.020 1 1204 113 113 LEU HA H 4.159 0.020 1 1205 113 113 LEU HB2 H 1.809 0.020 2 1206 113 113 LEU HB3 H 1.735 0.020 2 1207 113 113 LEU HG H 1.725 0.020 1 1208 113 113 LEU HD1 H 0.989 0.020 2 1209 113 113 LEU HD2 H 0.907 0.020 2 1210 113 113 LEU C C 178.110 0.400 1 1211 113 113 LEU CA C 55.809 0.400 1 1212 113 113 LEU CB C 42.088 0.400 1 1213 113 113 LEU CG C 26.882 0.400 1 1214 113 113 LEU CD1 C 26.110 0.400 1 1215 113 113 LEU CD2 C 22.448 0.400 1 1216 113 113 LEU N N 117.706 0.400 1 1217 114 114 LEU H H 7.565 0.020 1 1218 114 114 LEU HA H 3.962 0.020 1 1219 114 114 LEU HB2 H 1.315 0.020 2 1220 114 114 LEU HB3 H 1.848 0.020 2 1221 114 114 LEU HG H 1.835 0.020 1 1222 114 114 LEU HD1 H 0.596 0.020 2 1223 114 114 LEU HD2 H 1.078 0.020 2 1224 114 114 LEU C C 179.011 0.400 1 1225 114 114 LEU CA C 57.286 0.400 1 1226 114 114 LEU CB C 42.321 0.400 1 1227 114 114 LEU CG C 26.359 0.400 1 1228 114 114 LEU CD1 C 25.277 0.400 1 1229 114 114 LEU CD2 C 24.588 0.400 1 1230 114 114 LEU N N 117.066 0.400 1 1231 115 115 GLU H H 7.434 0.020 1 1232 115 115 GLU HA H 4.002 0.020 1 1233 115 115 GLU HB2 H 2.022 0.020 1 1234 115 115 GLU HB3 H 2.022 0.020 1 1235 115 115 GLU HG2 H 2.234 0.020 2 1236 115 115 GLU HG3 H 2.321 0.020 2 1237 115 115 GLU C C 175.705 0.400 1 1238 115 115 GLU CA C 57.884 0.400 1 1239 115 115 GLU CB C 29.296 0.400 1 1240 115 115 GLU CG C 35.347 0.400 1 1241 115 115 GLU N N 114.502 0.400 1 1242 116 116 ASN H H 7.891 0.020 1 1243 116 116 ASN HA H 4.739 0.020 1 1244 116 116 ASN HB2 H 3.040 0.020 2 1245 116 116 ASN HB3 H 3.169 0.020 2 1246 116 116 ASN HD21 H 7.317 0.020 2 1247 116 116 ASN HD22 H 7.032 0.020 2 1248 116 116 ASN C C 175.160 0.400 1 1249 116 116 ASN CA C 53.271 0.400 1 1250 116 116 ASN CB C 39.858 0.400 1 1251 116 116 ASN N N 115.327 0.400 1 1252 116 116 ASN ND2 N 112.167 0.400 1 1253 117 117 ILE H H 7.453 0.020 1 1254 117 117 ILE HA H 3.857 0.020 1 1255 117 117 ILE HB H 1.922 0.020 1 1256 117 117 ILE HG12 H 1.588 0.020 2 1257 117 117 ILE HG13 H 0.097 0.020 2 1258 117 117 ILE HG2 H 0.830 0.020 1 1259 117 117 ILE HD1 H 0.608 0.020 1 1260 117 117 ILE C C 174.323 0.400 1 1261 117 117 ILE CA C 63.608 0.400 1 1262 117 117 ILE CB C 36.179 0.400 1 1263 117 117 ILE CG1 C 28.333 0.400 1 1264 117 117 ILE CG2 C 17.871 0.400 1 1265 117 117 ILE CD1 C 13.995 0.400 1 1266 117 117 ILE N N 121.603 0.400 1 1267 118 118 LYS H H 8.434 0.020 1 1268 118 118 LYS HA H 4.776 0.020 1 1269 118 118 LYS HB2 H 1.778 0.020 2 1270 118 118 LYS HB3 H 1.935 0.020 2 1271 118 118 LYS HG2 H 1.513 0.020 2 1272 118 118 LYS HG3 H 1.457 0.020 2 1273 118 118 LYS HD2 H 1.709 0.020 1 1274 118 118 LYS HD3 H 1.709 0.020 1 1275 118 118 LYS HE2 H 3.051 0.020 2 1276 118 118 LYS HE3 H 3.053 0.020 2 1277 118 118 LYS C C 175.826 0.400 1 1278 118 118 LYS CA C 53.896 0.400 1 1279 118 118 LYS CB C 34.480 0.400 1 1280 118 118 LYS CG C 24.231 0.400 1 1281 118 118 LYS CD C 28.416 0.400 1 1282 118 118 LYS CE C 42.254 0.400 1 1283 118 118 LYS N N 126.655 0.400 1 1284 119 119 ARG H H 8.576 0.020 1 1285 119 119 ARG HA H 4.208 0.020 1 1286 119 119 ARG HB2 H 1.673 0.020 2 1287 119 119 ARG HB3 H 1.620 0.020 2 1288 119 119 ARG HG2 H 1.401 0.020 2 1289 119 119 ARG HG3 H 1.314 0.020 2 1290 119 119 ARG HD2 H 3.051 0.020 1 1291 119 119 ARG HD3 H 3.051 0.020 1 1292 119 119 ARG C C 176.276 0.400 1 1293 119 119 ARG CA C 56.036 0.400 1 1294 119 119 ARG CB C 30.797 0.400 1 1295 119 119 ARG CG C 27.310 0.400 1 1296 119 119 ARG CD C 43.259 0.400 1 1297 119 119 ARG N N 121.431 0.400 1 1298 120 120 LYS H H 8.526 0.020 1 1299 120 120 LYS HA H 4.334 0.020 1 1300 120 120 LYS HB2 H 1.811 0.020 2 1301 120 120 LYS HB3 H 1.759 0.020 2 1302 120 120 LYS HG2 H 1.490 0.020 2 1303 120 120 LYS HG3 H 1.412 0.020 2 1304 120 120 LYS HD2 H 1.709 0.020 1 1305 120 120 LYS HD3 H 1.709 0.020 1 1306 120 120 LYS HE2 H 3.008 0.020 2 1307 120 120 LYS HE3 H 3.013 0.020 2 1308 120 120 LYS C C 176.006 0.400 1 1309 120 120 LYS CA C 56.384 0.400 1 1310 120 120 LYS CB C 33.044 0.400 1 1311 120 120 LYS CG C 24.588 0.400 1 1312 120 120 LYS CD C 28.780 0.400 1 1313 120 120 LYS CE C 41.898 0.400 1 1314 120 120 LYS N N 125.409 0.400 1 1315 121 121 VAL H H 8.281 0.020 1 1316 121 121 VAL HA H 4.180 0.020 1 1317 121 121 VAL HB H 2.085 0.020 1 1318 121 121 VAL HG1 H 0.941 0.020 1 1319 121 121 VAL HG2 H 0.941 0.020 1 1320 121 121 VAL C C 176.096 0.400 1 1321 121 121 VAL CA C 62.114 0.400 1 1322 121 121 VAL CB C 32.717 0.400 1 1323 121 121 VAL CG1 C 20.367 0.400 1 1324 121 121 VAL CG2 C 20.427 0.400 1 1325 121 121 VAL N N 122.068 0.400 1 1326 122 122 THR H H 8.228 0.020 1 1327 122 122 THR HA H 4.403 0.020 1 1328 122 122 THR HB H 4.224 0.020 1 1329 122 122 THR HG2 H 1.185 0.020 1 1330 122 122 THR C C 174.052 0.400 1 1331 122 122 THR CA C 61.625 0.400 1 1332 122 122 THR CB C 69.922 0.400 1 1333 122 122 THR CG2 C 21.440 0.400 1 1334 122 122 THR N N 117.824 0.400 1 1335 123 123 SER H H 8.310 0.020 1 1336 123 123 SER HA H 4.510 0.020 1 1337 123 123 SER HB2 H 3.875 0.020 1 1338 123 123 SER HB3 H 3.875 0.020 1 1339 123 123 SER C C 174.052 0.400 1 1340 123 123 SER CA C 57.981 0.400 1 1341 123 123 SER CB C 63.841 0.400 1 1342 123 123 SER N N 118.198 0.400 1 1343 124 124 VAL H H 8.206 0.020 1 1344 124 124 VAL HA H 4.225 0.020 1 1345 124 124 VAL HB H 2.131 0.020 1 1346 124 124 VAL HG1 H 0.930 0.020 1 1347 124 124 VAL HG2 H 0.930 0.020 1 1348 124 124 VAL C C 175.134 0.400 1 1349 124 124 VAL CA C 62.240 0.400 1 1350 124 124 VAL CB C 32.672 0.400 1 1351 124 124 VAL CG1 C 21.380 0.400 1 1352 124 124 VAL CG2 C 21.310 0.400 1 1353 124 124 VAL N N 121.388 0.400 1 1354 125 125 SER H H 7.957 0.020 1 1355 125 125 SER HA H 4.260 0.020 1 1356 125 125 SER HB2 H 3.816 0.020 2 1357 125 125 SER HB3 H 3.819 0.020 2 1358 125 125 SER CA C 59.978 0.400 1 1359 125 125 SER CB C 64.882 0.400 1 1360 125 125 SER N N 124.616 0.400 1 stop_ save_