data_18563 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure of Ig like domain (805-892) of Obscurin-like protein 1 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR8578K ; _BMRB_accession_number 18563 _BMRB_flat_file_name bmr18563.str _Entry_type original _Submission_date 2012-06-30 _Accession_date 2012-06-30 _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 Pulavarti 'Surya VSRK' . . 2 Eletsky Alex . . 3 Sukumaran Dinesh K. . 4 Lee Dan . . 5 Kohan Eitan . . 6 Janjua Haleema . . 7 Xiao Rong . . 8 Acton Thomas B. . 9 Everett John K. . 10 Pederson Kari - . 11 Prestegard James . . 12 Montelione Gaetano T. . 13 Szyperski Thomas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 508 "13C chemical shifts" 393 "15N chemical shifts" 92 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-01-03 original author . stop_ _Original_release_date 2013-01-03 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution NMR Structure of Ig like domain (805-892) of Obscurin-like protein 1 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR8578K' _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 Pulavarti 'Surya VSRK' . . 2 Eletsky Alex . . 3 Sukumaran Dinesh K. . 4 Lee Dan . . 5 Kohan Eitan . . 6 Janjua Haleema . . 7 Xiao Rong . . 8 Acton Thomas B. . 9 Everett John K. . 10 Pederson Kari . . 11 Prestegard James . . 12 Montelione Gaetano T. . 13 Szyperski Thomas . . 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 HR8578K _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HR8578K $HR8578K 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_HR8578K _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HR8578K _Molecular_mass 10165.419 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 91 _Mol_residue_sequence ; SHMPVHIVDPREHVFVHAIT SECVMLACEVDREDAPVRWY KDGQEVEESDFVVLENEGPH RRLVLPATQPSDGGEFQCVA GDECAYFTVTI ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 SER 2 1 HIS 3 2 MET 4 3 PRO 5 4 VAL 6 5 HIS 7 6 ILE 8 7 VAL 9 8 ASP 10 9 PRO 11 10 ARG 12 11 GLU 13 12 HIS 14 13 VAL 15 14 PHE 16 15 VAL 17 16 HIS 18 17 ALA 19 18 ILE 20 19 THR 21 20 SER 22 21 GLU 23 22 CYS 24 23 VAL 25 24 MET 26 25 LEU 27 26 ALA 28 27 CYS 29 28 GLU 30 29 VAL 31 30 ASP 32 31 ARG 33 32 GLU 34 33 ASP 35 34 ALA 36 35 PRO 37 36 VAL 38 37 ARG 39 38 TRP 40 39 TYR 41 40 LYS 42 41 ASP 43 42 GLY 44 43 GLN 45 44 GLU 46 45 VAL 47 46 GLU 48 47 GLU 49 48 SER 50 49 ASP 51 50 PHE 52 51 VAL 53 52 VAL 54 53 LEU 55 54 GLU 56 55 ASN 57 56 GLU 58 57 GLY 59 58 PRO 60 59 HIS 61 60 ARG 62 61 ARG 63 62 LEU 64 63 VAL 65 64 LEU 66 65 PRO 67 66 ALA 68 67 THR 69 68 GLN 70 69 PRO 71 70 SER 72 71 ASP 73 72 GLY 74 73 GLY 75 74 GLU 76 75 PHE 77 76 GLN 78 77 CYS 79 78 VAL 80 79 ALA 81 80 GLY 82 81 ASP 83 82 GLU 84 83 CYS 85 84 ALA 86 85 TYR 87 86 PHE 88 87 THR 89 88 VAL 90 89 THR 91 90 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2013-11-05 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 2LVC "Solution Nmr Structure Of Ig Like Domain (805-892) Of Obscurin-Like Protein 1 From Homo Sapiens, Northeast Structural Genomics " 100.00 91 100.00 100.00 1.20e-59 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 $HR8578K Humans 9606 Eukaryota Metazoa Homo sapiens OBSL1 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 $HR8578K 'recombinant technology' . Escherichia coli BL21(DE3)pMgK pET15Avi6HT_NESG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1.0 mM HR8578K.009, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR8578K 1.0 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 pH 6.5' 20 mM 'natural abundance' D2O 10 % 'natural abundance' DSS 50 uM 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '1.0 mM HR8578K.009, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR8578K 1.0 mM '[U-5% 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 pH 6.5' 20 mM 'natural abundance' D2O 10 % 'natural abundance' DSS 50 uM 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '0.6 mM HR8578K.010, 80% H2O/20% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR8578K 0.6 mM '[U-5% 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 pH 6.5' 20 mM 'natural abundance' D2O 10 % 'natural abundance' DSS 50 uM 'natural abundance' 'PF1 Phage' 12.5 mg/mL 'natural abundance' H2O 80 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details '0.6 mM HR8578K.010, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR8578K 0.6 mM '[U-5% 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 pH 6.5' 20 mM 'natural abundance' D2O 10 % 'natural abundance' DSS 50 uM 'natural abundance' PEG 4 % 'natural abundance' H2O 80 % '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 AutoStructure _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_CARA _Saveframe_category software _Name CARA _Version 1.8.4 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'peak picking' 'data analysis' 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_CSI _Saveframe_category software _Name CSI _Version . loop_ _Vendor _Address _Electronic_address 'Wishart, D.S. and B.D. Sykes.' . . stop_ loop_ _Task 'data analysis' 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_PROSA _Saveframe_category software _Name PROSA _Version . loop_ _Vendor _Address _Electronic_address Guntert . . stop_ loop_ _Task processing 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_ save_PALES _Saveframe_category software _Name PALES _Version . loop_ _Vendor _Address _Electronic_address 'PALES (Zweckstetter, Bax)' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya, Montelione' . . stop_ loop_ _Task 'structure validation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details 'High-Field NMR facility at UB' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details 'High-Field NMR facility at UB' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details 'Univ. 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_1 save_ save_2D_1H-13C_(CT-27_ms)_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C (CT-27 ms) HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 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_1 save_ save_2D_1H-13C_(CT-28_ms)_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C (CT-28 ms) HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_(CT-56_ms)_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C (CT-56 ms) HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_(CT-42_ms)_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C (CT-42 ms) HSQC' _Sample_label $sample_1 save_ save_3D_C(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_(Aliphatic)_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY (Aliphatic)' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_(Aromatic)_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY (Aromatic)' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_J-mod_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC J-mod' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_J-mod_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC J-mod' _Sample_label $sample_4 save_ save_2D_1H-15N_HSQC_J-mod_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC J-mod' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 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 H 1 'methyl protons' ppm 0.00 external direct . . . 1.0000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HN(CA)CO' '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name HR8578K _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 2 HIS HA H 4.685 0.030 1 2 1 2 HIS HB2 H 3.132 0.030 2 3 1 2 HIS HB3 H 3.053 0.030 2 4 1 2 HIS HD2 H 7.041 0.030 1 5 1 2 HIS CA C 55.856 0.400 1 6 1 2 HIS CB C 30.499 0.400 1 7 1 2 HIS CD2 C 119.553 0.400 1 8 2 3 MET HA H 4.724 0.030 1 9 2 3 MET HB2 H 2.529 0.030 2 10 2 3 MET HB3 H 2.441 0.030 2 11 2 3 MET HG2 H 1.849 0.030 1 12 2 3 MET HG3 H 1.849 0.030 1 13 2 3 MET HE H 2.067 0.030 1 14 2 3 MET CA C 52.929 0.400 1 15 2 3 MET CB C 31.800 0.400 1 16 2 3 MET CG C 32.253 0.400 1 17 2 3 MET CE C 17.001 0.400 1 18 3 4 PRO HA H 4.371 0.030 1 19 3 4 PRO HB2 H 2.184 0.030 2 20 3 4 PRO HB3 H 1.686 0.030 2 21 3 4 PRO HG2 H 1.989 0.030 1 22 3 4 PRO HG3 H 1.989 0.030 1 23 3 4 PRO HD2 H 3.733 0.030 2 24 3 4 PRO HD3 H 3.610 0.030 2 25 3 4 PRO C C 175.711 0.400 1 26 3 4 PRO CA C 62.792 0.400 1 27 3 4 PRO CB C 31.942 0.400 1 28 3 4 PRO CG C 27.429 0.400 1 29 3 4 PRO CD C 50.491 0.400 1 30 4 5 VAL H H 7.727 0.030 1 31 4 5 VAL HA H 4.278 0.030 1 32 4 5 VAL HB H 1.773 0.030 1 33 4 5 VAL HG1 H 0.712 0.030 1 34 4 5 VAL HG2 H 0.888 0.030 1 35 4 5 VAL C C 171.983 0.400 1 36 4 5 VAL CA C 60.328 0.400 1 37 4 5 VAL CB C 33.298 0.400 1 38 4 5 VAL CG1 C 19.908 0.400 1 39 4 5 VAL CG2 C 22.255 0.400 1 40 4 5 VAL N N 120.804 0.400 1 41 5 6 HIS H H 8.889 0.030 1 42 5 6 HIS HA H 4.863 0.030 1 43 5 6 HIS HB2 H 3.180 0.030 2 44 5 6 HIS HB3 H 2.629 0.030 2 45 5 6 HIS HD2 H 7.291 0.030 1 46 5 6 HIS C C 173.840 0.400 1 47 5 6 HIS CA C 52.708 0.400 1 48 5 6 HIS CB C 30.540 0.400 1 49 5 6 HIS CD2 C 120.460 0.400 1 50 5 6 HIS N N 122.635 0.400 1 51 6 7 ILE H H 8.695 0.030 1 52 6 7 ILE HA H 4.098 0.030 1 53 6 7 ILE HB H 1.726 0.030 1 54 6 7 ILE HG12 H 1.496 0.030 2 55 6 7 ILE HG13 H 0.625 0.030 2 56 6 7 ILE HG2 H 0.725 0.030 1 57 6 7 ILE HD1 H 0.605 0.030 1 58 6 7 ILE C C 176.086 0.400 1 59 6 7 ILE CA C 61.504 0.400 1 60 6 7 ILE CB C 38.076 0.400 1 61 6 7 ILE CG1 C 28.189 0.400 1 62 6 7 ILE CG2 C 17.835 0.400 1 63 6 7 ILE CD1 C 12.896 0.400 1 64 6 7 ILE N N 122.457 0.400 1 65 7 8 VAL H H 8.806 0.030 1 66 7 8 VAL HA H 3.954 0.030 1 67 7 8 VAL HB H 1.824 0.030 1 68 7 8 VAL HG1 H 0.826 0.030 1 69 7 8 VAL HG2 H 0.679 0.030 1 70 7 8 VAL C C 175.250 0.400 1 71 7 8 VAL CA C 62.463 0.400 1 72 7 8 VAL CB C 32.645 0.400 1 73 7 8 VAL CG1 C 21.127 0.400 1 74 7 8 VAL CG2 C 19.882 0.400 1 75 7 8 VAL N N 125.951 0.400 1 76 8 9 ASP H H 7.497 0.030 1 77 8 9 ASP HA H 4.726 0.030 1 78 8 9 ASP HB2 H 2.669 0.030 1 79 8 9 ASP HB3 H 2.628 0.030 1 80 8 9 ASP C C 172.675 0.400 1 81 8 9 ASP CA C 52.396 0.400 1 82 8 9 ASP CB C 45.611 0.400 1 83 8 9 ASP N N 120.396 0.400 1 84 9 10 PRO HA H 5.199 0.030 1 85 9 10 PRO HB2 H 2.455 0.030 2 86 9 10 PRO HB3 H 2.414 0.030 2 87 9 10 PRO HG2 H 1.838 0.030 2 88 9 10 PRO HG3 H 1.778 0.030 2 89 9 10 PRO HD2 H 3.614 0.030 1 90 9 10 PRO HD3 H 4.055 0.030 1 91 9 10 PRO C C 176.269 0.400 1 92 9 10 PRO CA C 62.788 0.400 1 93 9 10 PRO CB C 34.697 0.400 1 94 9 10 PRO CG C 24.331 0.400 1 95 9 10 PRO CD C 50.401 0.400 1 96 10 11 ARG H H 8.861 0.030 1 97 10 11 ARG HA H 4.458 0.030 1 98 10 11 ARG HB2 H 2.152 0.030 2 99 10 11 ARG HB3 H 1.723 0.030 2 100 10 11 ARG HG2 H 1.758 0.030 2 101 10 11 ARG HG3 H 1.649 0.030 2 102 10 11 ARG HD2 H 3.270 0.030 2 103 10 11 ARG HD3 H 3.206 0.030 2 104 10 11 ARG HE H 7.216 0.030 1 105 10 11 ARG C C 175.540 0.400 1 106 10 11 ARG CA C 55.257 0.400 1 107 10 11 ARG CB C 30.208 0.400 1 108 10 11 ARG CG C 26.838 0.400 1 109 10 11 ARG CD C 42.552 0.400 1 110 10 11 ARG N N 117.314 0.400 1 111 10 11 ARG NE N 84.217 0.400 1 112 11 12 GLU H H 7.573 0.030 1 113 11 12 GLU HA H 4.692 0.030 1 114 11 12 GLU HB2 H 2.210 0.030 2 115 11 12 GLU HB3 H 1.989 0.030 2 116 11 12 GLU HG2 H 2.222 0.030 1 117 11 12 GLU HG3 H 2.222 0.030 1 118 11 12 GLU C C 175.306 0.400 1 119 11 12 GLU CA C 53.915 0.400 1 120 11 12 GLU CB C 32.390 0.400 1 121 11 12 GLU CG C 35.265 0.400 1 122 11 12 GLU N N 116.505 0.400 1 123 12 13 HIS H H 8.818 0.030 1 124 12 13 HIS HA H 4.329 0.030 1 125 12 13 HIS HB2 H 3.127 0.030 2 126 12 13 HIS HB3 H 3.026 0.030 2 127 12 13 HIS HD2 H 7.152 0.030 1 128 12 13 HIS C C 174.392 0.400 1 129 12 13 HIS CA C 55.948 0.400 1 130 12 13 HIS CB C 28.937 0.400 1 131 12 13 HIS CD2 C 119.817 0.400 1 132 12 13 HIS N N 122.245 0.400 1 133 13 14 VAL H H 8.244 0.030 1 134 13 14 VAL HA H 4.291 0.030 1 135 13 14 VAL HB H 2.032 0.030 1 136 13 14 VAL HG1 H 1.183 0.030 1 137 13 14 VAL HG2 H 1.019 0.030 1 138 13 14 VAL C C 174.347 0.400 1 139 13 14 VAL CA C 62.514 0.400 1 140 13 14 VAL CB C 33.919 0.400 1 141 13 14 VAL CG1 C 21.570 0.400 1 142 13 14 VAL CG2 C 21.939 0.400 1 143 13 14 VAL N N 129.878 0.400 1 144 14 15 PHE H H 9.118 0.030 1 145 14 15 PHE HA H 5.185 0.030 1 146 14 15 PHE HB2 H 3.008 0.030 1 147 14 15 PHE HB3 H 3.008 0.030 1 148 14 15 PHE HD1 H 7.302 0.030 1 149 14 15 PHE HD2 H 7.302 0.030 1 150 14 15 PHE HE1 H 7.292 0.030 1 151 14 15 PHE HE2 H 7.292 0.030 1 152 14 15 PHE C C 175.206 0.400 1 153 14 15 PHE CA C 57.448 0.400 1 154 14 15 PHE CB C 40.193 0.400 1 155 14 15 PHE CD1 C 131.907 0.400 1 156 14 15 PHE CD2 C 131.907 0.400 1 157 14 15 PHE CE1 C 129.562 0.400 1 158 14 15 PHE CE2 C 129.562 0.400 1 159 14 15 PHE N N 127.357 0.400 1 160 15 16 VAL H H 9.335 0.030 1 161 15 16 VAL HA H 4.375 0.030 1 162 15 16 VAL HB H 2.075 0.030 1 163 15 16 VAL HG1 H 0.935 0.030 1 164 15 16 VAL HG2 H 1.004 0.030 1 165 15 16 VAL C C 174.057 0.400 1 166 15 16 VAL CA C 61.355 0.400 1 167 15 16 VAL CB C 35.015 0.400 1 168 15 16 VAL CG1 C 20.767 0.400 1 169 15 16 VAL CG2 C 20.853 0.400 1 170 15 16 VAL N N 125.508 0.400 1 171 16 17 HIS H H 8.998 0.030 1 172 16 17 HIS HA H 5.417 0.030 1 173 16 17 HIS HB2 H 3.204 0.030 2 174 16 17 HIS HB3 H 3.074 0.030 2 175 16 17 HIS HD2 H 7.203 0.030 1 176 16 17 HIS C C 173.634 0.400 1 177 16 17 HIS CA C 53.954 0.400 1 178 16 17 HIS CB C 29.540 0.400 1 179 16 17 HIS CD2 C 119.513 0.400 1 180 16 17 HIS N N 127.768 0.400 1 181 17 18 ALA H H 8.622 0.030 1 182 17 18 ALA HA H 4.632 0.030 1 183 17 18 ALA HB H 1.150 0.030 1 184 17 18 ALA C C 174.971 0.400 1 185 17 18 ALA CA C 50.396 0.400 1 186 17 18 ALA CB C 22.143 0.400 1 187 17 18 ALA N N 129.262 0.400 1 188 18 19 ILE H H 8.035 0.030 1 189 18 19 ILE HA H 4.282 0.030 1 190 18 19 ILE HB H 1.726 0.030 1 191 18 19 ILE HG12 H 1.361 0.030 2 192 18 19 ILE HG13 H 1.121 0.030 2 193 18 19 ILE HG2 H 0.936 0.030 1 194 18 19 ILE HD1 H 0.810 0.030 1 195 18 19 ILE C C 175.607 0.400 1 196 18 19 ILE CA C 59.194 0.400 1 197 18 19 ILE CB C 39.464 0.400 1 198 18 19 ILE CG1 C 26.746 0.400 1 199 18 19 ILE CG2 C 17.191 0.400 1 200 18 19 ILE CD1 C 12.378 0.400 1 201 18 19 ILE N N 118.060 0.400 1 202 19 20 THR H H 8.175 0.030 1 203 19 20 THR HA H 3.789 0.030 1 204 19 20 THR HB H 4.050 0.030 1 205 19 20 THR HG2 H 1.239 0.030 1 206 19 20 THR C C 175.183 0.400 1 207 19 20 THR CA C 64.401 0.400 1 208 19 20 THR CB C 68.911 0.400 1 209 19 20 THR CG2 C 22.240 0.400 1 210 19 20 THR N N 118.357 0.400 1 211 20 21 SER H H 9.380 0.030 1 212 20 21 SER HA H 3.812 0.030 1 213 20 21 SER HB2 H 3.957 0.030 2 214 20 21 SER HB3 H 4.204 0.030 2 215 20 21 SER C C 173.321 0.400 1 216 20 21 SER CA C 61.141 0.400 1 217 20 21 SER CB C 62.412 0.400 1 218 20 21 SER N N 118.784 0.400 1 219 21 22 GLU H H 8.166 0.030 1 220 21 22 GLU HA H 4.463 0.030 1 221 21 22 GLU HB2 H 2.001 0.030 2 222 21 22 GLU HB3 H 2.103 0.030 2 223 21 22 GLU HG2 H 2.156 0.030 2 224 21 22 GLU HG3 H 2.225 0.030 2 225 21 22 GLU C C 175.551 0.400 1 226 21 22 GLU CA C 55.587 0.400 1 227 21 22 GLU CB C 30.999 0.400 1 228 21 22 GLU CG C 36.337 0.400 1 229 21 22 GLU N N 121.841 0.400 1 230 22 23 CYS H H 8.549 0.030 1 231 22 23 CYS HA H 5.020 0.030 1 232 22 23 CYS HB2 H 2.918 0.030 2 233 22 23 CYS HB3 H 2.765 0.030 2 234 22 23 CYS C C 175.284 0.400 1 235 22 23 CYS CA C 57.038 0.400 1 236 22 23 CYS CB C 27.138 0.400 1 237 22 23 CYS N N 122.463 0.400 1 238 23 24 VAL H H 8.526 0.030 1 239 23 24 VAL HA H 4.174 0.030 1 240 23 24 VAL HB H 1.753 0.030 1 241 23 24 VAL HG1 H 0.583 0.030 1 242 23 24 VAL HG2 H 0.787 0.030 1 243 23 24 VAL C C 172.519 0.400 1 244 23 24 VAL CA C 61.097 0.400 1 245 23 24 VAL CB C 34.726 0.400 1 246 23 24 VAL CG1 C 20.909 0.400 1 247 23 24 VAL CG2 C 23.011 0.400 1 248 23 24 VAL N N 129.771 0.400 1 249 24 25 MET H H 8.267 0.030 1 250 24 25 MET HA H 4.956 0.030 1 251 24 25 MET HB2 H 1.760 0.030 1 252 24 25 MET HB3 H 1.760 0.030 1 253 24 25 MET HG2 H 2.225 0.030 2 254 24 25 MET HG3 H 2.066 0.030 2 255 24 25 MET HE H 1.930 0.030 1 256 24 25 MET C C 173.812 0.400 1 257 24 25 MET CA C 53.725 0.400 1 258 24 25 MET CB C 35.325 0.400 1 259 24 25 MET CG C 31.215 0.400 1 260 24 25 MET CE C 16.424 0.400 1 261 24 25 MET N N 124.972 0.400 1 262 25 26 LEU H H 9.073 0.030 1 263 25 26 LEU HA H 4.194 0.030 1 264 25 26 LEU HB2 H 1.124 0.030 1 265 25 26 LEU HB3 H -0.294 0.030 1 266 25 26 LEU HG H 0.879 0.030 1 267 25 26 LEU HD1 H -0.227 0.030 1 268 25 26 LEU HD2 H 0.270 0.030 1 269 25 26 LEU C C 174.737 0.400 1 270 25 26 LEU CA C 52.881 0.400 1 271 25 26 LEU CB C 40.501 0.400 1 272 25 26 LEU CG C 25.663 0.400 1 273 25 26 LEU CD1 C 24.725 0.400 1 274 25 26 LEU CD2 C 21.666 0.400 1 275 25 26 LEU N N 126.968 0.400 1 276 26 27 ALA H H 8.046 0.030 1 277 26 27 ALA HA H 5.429 0.030 1 278 26 27 ALA HB H 1.372 0.030 1 279 26 27 ALA C C 175.763 0.400 1 280 26 27 ALA CA C 51.119 0.400 1 281 26 27 ALA CB C 22.554 0.400 1 282 26 27 ALA N N 123.951 0.400 1 283 27 28 CYS H H 9.387 0.030 1 284 27 28 CYS HA H 5.429 0.030 1 285 27 28 CYS HB2 H 2.948 0.030 1 286 27 28 CYS HB3 H 2.948 0.030 1 287 27 28 CYS C C 172.953 0.400 1 288 27 28 CYS CA C 56.062 0.400 1 289 27 28 CYS CB C 31.322 0.400 1 290 27 28 CYS N N 119.136 0.400 1 291 28 29 GLU H H 9.525 0.030 1 292 28 29 GLU HA H 5.252 0.030 1 293 28 29 GLU HB2 H 2.012 0.030 2 294 28 29 GLU HB3 H 1.835 0.030 2 295 28 29 GLU HG2 H 2.009 0.030 2 296 28 29 GLU HG3 H 1.794 0.030 2 297 28 29 GLU C C 176.008 0.400 1 298 28 29 GLU CA C 54.558 0.400 1 299 28 29 GLU CB C 32.933 0.400 1 300 28 29 GLU CG C 35.657 0.400 1 301 28 29 GLU N N 128.022 0.400 1 302 29 30 VAL H H 8.692 0.030 1 303 29 30 VAL HA H 5.326 0.030 1 304 29 30 VAL HB H 2.055 0.030 1 305 29 30 VAL HG1 H 0.611 0.030 1 306 29 30 VAL HG2 H 0.823 0.030 1 307 29 30 VAL C C 175.785 0.400 1 308 29 30 VAL CA C 58.840 0.400 1 309 29 30 VAL CB C 34.256 0.400 1 310 29 30 VAL CG1 C 22.000 0.400 1 311 29 30 VAL CG2 C 18.108 0.400 1 312 29 30 VAL N N 118.752 0.400 1 313 30 31 ASP H H 8.596 0.030 1 314 30 31 ASP HA H 4.351 0.030 1 315 30 31 ASP HB2 H 3.017 0.030 2 316 30 31 ASP HB3 H 2.394 0.030 2 317 30 31 ASP C C 175.674 0.400 1 318 30 31 ASP CA C 54.022 0.400 1 319 30 31 ASP CB C 40.133 0.400 1 320 30 31 ASP N N 116.939 0.400 1 321 31 32 ARG H H 6.891 0.030 1 322 31 32 ARG HA H 4.629 0.030 1 323 31 32 ARG HB2 H 1.659 0.030 2 324 31 32 ARG HB3 H 1.868 0.030 2 325 31 32 ARG HG2 H 1.631 0.030 1 326 31 32 ARG HG3 H 1.631 0.030 1 327 31 32 ARG HD2 H 3.086 0.030 2 328 31 32 ARG HD3 H 3.221 0.030 2 329 31 32 ARG HE H 7.699 0.030 1 330 31 32 ARG C C 175.975 0.400 1 331 31 32 ARG CA C 54.401 0.400 1 332 31 32 ARG CB C 32.140 0.400 1 333 31 32 ARG CG C 26.381 0.400 1 334 31 32 ARG CD C 43.313 0.400 1 335 31 32 ARG N N 117.535 0.400 1 336 31 32 ARG NE N 84.985 0.400 1 337 32 33 GLU H H 8.889 0.030 1 338 32 33 GLU HA H 3.607 0.030 1 339 32 33 GLU HB2 H 1.920 0.030 1 340 32 33 GLU HB3 H 1.920 0.030 1 341 32 33 GLU HG2 H 2.216 0.030 1 342 32 33 GLU HG3 H 2.216 0.030 1 343 32 33 GLU C C 175.919 0.400 1 344 32 33 GLU CA C 59.654 0.400 1 345 32 33 GLU CB C 29.021 0.400 1 346 32 33 GLU CG C 36.318 0.400 1 347 32 33 GLU N N 122.133 0.400 1 348 33 34 ASP H H 8.353 0.030 1 349 33 34 ASP HA H 4.512 0.030 1 350 33 34 ASP HB2 H 2.857 0.030 2 351 33 34 ASP HB3 H 2.547 0.030 2 352 33 34 ASP C C 176.822 0.400 1 353 33 34 ASP CA C 52.624 0.400 1 354 33 34 ASP CB C 39.605 0.400 1 355 33 34 ASP N N 115.275 0.400 1 356 34 35 ALA H H 7.203 0.030 1 357 34 35 ALA HA H 4.514 0.030 1 358 34 35 ALA HB H 1.303 0.030 1 359 34 35 ALA C C 175.128 0.400 1 360 34 35 ALA CA C 50.433 0.400 1 361 34 35 ALA CB C 19.530 0.400 1 362 34 35 ALA N N 122.962 0.400 1 363 35 36 PRO HA H 4.759 0.030 1 364 35 36 PRO HB2 H 2.237 0.030 2 365 35 36 PRO HB3 H 1.984 0.030 2 366 35 36 PRO HG2 H 2.059 0.030 2 367 35 36 PRO HG3 H 2.019 0.030 2 368 35 36 PRO HD2 H 3.979 0.030 2 369 35 36 PRO HD3 H 3.665 0.030 2 370 35 36 PRO C C 175.988 0.400 1 371 35 36 PRO CA C 61.652 0.400 1 372 35 36 PRO CB C 32.270 0.400 1 373 35 36 PRO CG C 26.466 0.400 1 374 35 36 PRO CD C 50.561 0.400 1 375 36 37 VAL H H 8.274 0.030 1 376 36 37 VAL HA H 5.014 0.030 1 377 36 37 VAL HB H 1.890 0.030 1 378 36 37 VAL HG1 H 0.558 0.030 1 379 36 37 VAL HG2 H 0.499 0.030 1 380 36 37 VAL C C 175.295 0.400 1 381 36 37 VAL CA C 58.336 0.400 1 382 36 37 VAL CB C 34.705 0.400 1 383 36 37 VAL CG1 C 21.987 0.400 1 384 36 37 VAL CG2 C 18.380 0.400 1 385 36 37 VAL N N 110.336 0.400 1 386 37 38 ARG H H 8.228 0.030 1 387 37 38 ARG HA H 4.671 0.030 1 388 37 38 ARG HB2 H 1.633 0.030 2 389 37 38 ARG HB3 H 1.585 0.030 2 390 37 38 ARG HG2 H 1.629 0.030 2 391 37 38 ARG HG3 H 1.562 0.030 2 392 37 38 ARG HD2 H 3.183 0.030 1 393 37 38 ARG HD3 H 3.183 0.030 1 394 37 38 ARG HE H 7.533 0.030 1 395 37 38 ARG C C 173.723 0.400 1 396 37 38 ARG CA C 55.136 0.400 1 397 37 38 ARG CB C 34.993 0.400 1 398 37 38 ARG CG C 27.245 0.400 1 399 37 38 ARG CD C 43.432 0.400 1 400 37 38 ARG N N 120.074 0.400 1 401 37 38 ARG NE N 84.287 0.400 1 402 38 39 TRP H H 8.889 0.030 1 403 38 39 TRP HA H 5.640 0.030 1 404 38 39 TRP HB2 H 2.974 0.030 1 405 38 39 TRP HB3 H 2.870 0.030 1 406 38 39 TRP HD1 H 7.072 0.030 1 407 38 39 TRP HE1 H 9.952 0.030 1 408 38 39 TRP HE3 H 6.331 0.030 1 409 38 39 TRP HZ2 H 7.030 0.030 1 410 38 39 TRP HZ3 H 7.344 0.030 1 411 38 39 TRP HH2 H 6.321 0.030 1 412 38 39 TRP C C 175.618 0.400 1 413 38 39 TRP CA C 55.929 0.400 1 414 38 39 TRP CB C 31.626 0.400 1 415 38 39 TRP CD1 C 127.482 0.400 1 416 38 39 TRP CE3 C 124.095 0.400 1 417 38 39 TRP CZ2 C 114.991 0.400 1 418 38 39 TRP CZ3 C 119.909 0.400 1 419 38 39 TRP CH2 C 121.355 0.400 1 420 38 39 TRP N N 122.663 0.400 1 421 38 39 TRP NE1 N 129.221 0.400 1 422 39 40 TYR H H 9.558 0.030 1 423 39 40 TYR HA H 5.072 0.030 1 424 39 40 TYR HB2 H 2.779 0.030 1 425 39 40 TYR HB3 H 2.501 0.030 1 426 39 40 TYR HD1 H 6.686 0.030 1 427 39 40 TYR HD2 H 6.686 0.030 1 428 39 40 TYR HE1 H 6.603 0.030 1 429 39 40 TYR HE2 H 6.603 0.030 1 430 39 40 TYR C C 174.459 0.400 1 431 39 40 TYR CA C 56.573 0.400 1 432 39 40 TYR CB C 43.190 0.400 1 433 39 40 TYR CD1 C 132.597 0.400 1 434 39 40 TYR CD2 C 132.597 0.400 1 435 39 40 TYR CE1 C 117.682 0.400 1 436 39 40 TYR CE2 C 117.682 0.400 1 437 39 40 TYR N N 118.808 0.400 1 438 40 41 LYS H H 9.093 0.030 1 439 40 41 LYS HA H 4.624 0.030 1 440 40 41 LYS HB2 H 1.507 0.030 2 441 40 41 LYS HB3 H 1.099 0.030 2 442 40 41 LYS HG2 H 0.590 0.030 2 443 40 41 LYS HG3 H -0.108 0.030 2 444 40 41 LYS HD2 H 1.275 0.030 2 445 40 41 LYS HD3 H 0.944 0.030 2 446 40 41 LYS HE2 H 2.753 0.030 2 447 40 41 LYS HE3 H 2.487 0.030 2 448 40 41 LYS C C 176.610 0.400 1 449 40 41 LYS CA C 54.556 0.400 1 450 40 41 LYS CB C 34.697 0.400 1 451 40 41 LYS CG C 24.684 0.400 1 452 40 41 LYS CD C 28.458 0.400 1 453 40 41 LYS CE C 43.250 0.400 1 454 40 41 LYS N N 121.010 0.400 1 455 41 42 ASP H H 9.894 0.030 1 456 41 42 ASP HA H 4.374 0.030 1 457 41 42 ASP HB2 H 2.887 0.030 2 458 41 42 ASP HB3 H 2.668 0.030 2 459 41 42 ASP C C 176.298 0.400 1 460 41 42 ASP CA C 55.648 0.400 1 461 41 42 ASP CB C 39.829 0.400 1 462 41 42 ASP N N 130.021 0.400 1 463 42 43 GLY H H 8.868 0.030 1 464 42 43 GLY HA2 H 4.212 0.030 2 465 42 43 GLY HA3 H 3.633 0.030 2 466 42 43 GLY C C 173.849 0.400 1 467 42 43 GLY CA C 45.261 0.400 1 468 42 43 GLY N N 102.535 0.400 1 469 43 44 GLN H H 8.055 0.030 1 470 43 44 GLN HA H 4.837 0.030 1 471 43 44 GLN HB2 H 2.193 0.030 2 472 43 44 GLN HB3 H 2.067 0.030 2 473 43 44 GLN HG2 H 2.422 0.030 2 474 43 44 GLN HG3 H 2.391 0.030 2 475 43 44 GLN HE21 H 7.637 0.030 2 476 43 44 GLN HE22 H 6.883 0.030 2 477 43 44 GLN C C 175.261 0.400 1 478 43 44 GLN CA C 53.549 0.400 1 479 43 44 GLN CB C 30.897 0.400 1 480 43 44 GLN CG C 33.539 0.400 1 481 43 44 GLN N N 119.978 0.400 1 482 43 44 GLN NE2 N 112.608 0.400 1 483 44 45 GLU H H 9.200 0.030 1 484 44 45 GLU HA H 3.870 0.030 1 485 44 45 GLU HB2 H 1.810 0.030 1 486 44 45 GLU HB3 H 1.810 0.030 1 487 44 45 GLU HG2 H 2.042 0.030 2 488 44 45 GLU HG3 H 2.187 0.030 2 489 44 45 GLU C C 176.844 0.400 1 490 44 45 GLU CA C 57.655 0.400 1 491 44 45 GLU CB C 29.154 0.400 1 492 44 45 GLU CG C 35.987 0.400 1 493 44 45 GLU N N 127.656 0.400 1 494 45 46 VAL H H 8.428 0.030 1 495 45 46 VAL HA H 3.957 0.030 1 496 45 46 VAL HB H 1.884 0.030 1 497 45 46 VAL HG1 H 0.827 0.030 1 498 45 46 VAL HG2 H 0.913 0.030 1 499 45 46 VAL C C 174.882 0.400 1 500 45 46 VAL CA C 62.492 0.400 1 501 45 46 VAL CB C 32.589 0.400 1 502 45 46 VAL CG1 C 21.880 0.400 1 503 45 46 VAL CG2 C 21.411 0.400 1 504 45 46 VAL N N 125.568 0.400 1 505 46 47 GLU H H 8.199 0.030 1 506 46 47 GLU HA H 4.572 0.030 1 507 46 47 GLU HB2 H 2.031 0.030 2 508 46 47 GLU HB3 H 1.850 0.030 2 509 46 47 GLU HG2 H 2.219 0.030 1 510 46 47 GLU HG3 H 2.219 0.030 1 511 46 47 GLU C C 175.339 0.400 1 512 46 47 GLU CA C 53.902 0.400 1 513 46 47 GLU CB C 31.718 0.400 1 514 46 47 GLU CG C 36.227 0.400 1 515 46 47 GLU N N 125.503 0.400 1 516 47 48 GLU H H 8.656 0.030 1 517 47 48 GLU HA H 4.150 0.030 1 518 47 48 GLU HB2 H 2.137 0.030 2 519 47 48 GLU HB3 H 2.024 0.030 2 520 47 48 GLU HG2 H 2.439 0.030 2 521 47 48 GLU HG3 H 2.220 0.030 2 522 47 48 GLU C C 176.131 0.400 1 523 47 48 GLU CA C 57.629 0.400 1 524 47 48 GLU CB C 30.463 0.400 1 525 47 48 GLU CG C 37.774 0.400 1 526 47 48 GLU N N 122.479 0.400 1 527 48 49 SER H H 9.157 0.030 1 528 48 49 SER HA H 4.714 0.030 1 529 48 49 SER HB2 H 4.235 0.030 2 530 48 49 SER HB3 H 3.966 0.030 2 531 48 49 SER C C 174.369 0.400 1 532 48 49 SER CA C 57.487 0.400 1 533 48 49 SER CB C 65.321 0.400 1 534 48 49 SER N N 118.701 0.400 1 535 49 50 ASP H H 8.576 0.030 1 536 49 50 ASP HA H 4.249 0.030 1 537 49 50 ASP HB2 H 2.193 0.030 2 538 49 50 ASP HB3 H 1.909 0.030 2 539 49 50 ASP C C 176.298 0.400 1 540 49 50 ASP CA C 56.302 0.400 1 541 49 50 ASP CB C 39.782 0.400 1 542 49 50 ASP N N 117.332 0.400 1 543 50 51 PHE H H 8.174 0.030 1 544 50 51 PHE HA H 4.528 0.030 1 545 50 51 PHE HB2 H 3.543 0.030 2 546 50 51 PHE HB3 H 2.630 0.030 2 547 50 51 PHE HD1 H 7.268 0.030 1 548 50 51 PHE HD2 H 7.268 0.030 1 549 50 51 PHE HE1 H 7.183 0.030 1 550 50 51 PHE HE2 H 7.183 0.030 1 551 50 51 PHE C C 174.514 0.400 1 552 50 51 PHE CA C 57.279 0.400 1 553 50 51 PHE CB C 40.414 0.400 1 554 50 51 PHE CD1 C 131.578 0.400 1 555 50 51 PHE CD2 C 131.578 0.400 1 556 50 51 PHE CE1 C 129.414 0.400 1 557 50 51 PHE CE2 C 129.414 0.400 1 558 50 51 PHE N N 114.857 0.400 1 559 51 52 VAL H H 7.065 0.030 1 560 51 52 VAL HA H 4.479 0.030 1 561 51 52 VAL HB H 2.096 0.030 1 562 51 52 VAL HG1 H 0.604 0.030 1 563 51 52 VAL HG2 H 0.773 0.030 1 564 51 52 VAL C C 172.820 0.400 1 565 51 52 VAL CA C 62.070 0.400 1 566 51 52 VAL CB C 33.936 0.400 1 567 51 52 VAL CG1 C 20.731 0.400 1 568 51 52 VAL CG2 C 21.261 0.400 1 569 51 52 VAL N N 120.222 0.400 1 570 52 53 VAL H H 8.900 0.030 1 571 52 53 VAL HA H 4.307 0.030 1 572 52 53 VAL HB H 1.808 0.030 1 573 52 53 VAL HG1 H 0.606 0.030 1 574 52 53 VAL HG2 H 0.784 0.030 1 575 52 53 VAL C C 174.615 0.400 1 576 52 53 VAL CA C 60.743 0.400 1 577 52 53 VAL CB C 34.660 0.400 1 578 52 53 VAL CG1 C 20.625 0.400 1 579 52 53 VAL CG2 C 20.523 0.400 1 580 52 53 VAL N N 126.988 0.400 1 581 53 54 LEU H H 8.546 0.030 1 582 53 54 LEU HA H 5.015 0.030 1 583 53 54 LEU HB2 H 1.726 0.030 1 584 53 54 LEU HB3 H 1.288 0.030 1 585 53 54 LEU HG H 1.367 0.030 1 586 53 54 LEU HD1 H 0.880 0.030 1 587 53 54 LEU HD2 H 0.408 0.030 1 588 53 54 LEU C C 176.655 0.400 1 589 53 54 LEU CA C 52.842 0.400 1 590 53 54 LEU CB C 41.878 0.400 1 591 53 54 LEU CG C 27.080 0.400 1 592 53 54 LEU CD1 C 25.302 0.400 1 593 53 54 LEU CD2 C 23.216 0.400 1 594 53 54 LEU N N 125.951 0.400 1 595 54 55 GLU H H 8.529 0.030 1 596 54 55 GLU HA H 4.632 0.030 1 597 54 55 GLU HB2 H 1.797 0.030 2 598 54 55 GLU HB3 H 1.705 0.030 2 599 54 55 GLU HG2 H 1.906 0.030 2 600 54 55 GLU HG3 H 2.012 0.030 2 601 54 55 GLU C C 174.113 0.400 1 602 54 55 GLU CA C 54.891 0.400 1 603 54 55 GLU CB C 33.534 0.400 1 604 54 55 GLU CG C 36.034 0.400 1 605 54 55 GLU N N 122.503 0.400 1 606 55 56 ASN H H 8.736 0.030 1 607 55 56 ASN HA H 5.500 0.030 1 608 55 56 ASN HB2 H 2.739 0.030 2 609 55 56 ASN HB3 H 2.624 0.030 2 610 55 56 ASN HD21 H 7.509 0.030 2 611 55 56 ASN HD22 H 6.804 0.030 2 612 55 56 ASN C C 174.001 0.400 1 613 55 56 ASN CA C 51.632 0.400 1 614 55 56 ASN CB C 40.781 0.400 1 615 55 56 ASN N N 123.064 0.400 1 616 55 56 ASN ND2 N 112.385 0.400 1 617 56 57 GLU H H 8.212 0.030 1 618 56 57 GLU HA H 4.527 0.030 1 619 56 57 GLU HB2 H 1.986 0.030 2 620 56 57 GLU HB3 H 1.920 0.030 2 621 56 57 GLU HG2 H 2.160 0.030 2 622 56 57 GLU HG3 H 2.292 0.030 2 623 56 57 GLU C C 174.960 0.400 1 624 56 57 GLU CA C 55.278 0.400 1 625 56 57 GLU CB C 31.910 0.400 1 626 56 57 GLU CG C 35.366 0.400 1 627 56 57 GLU N N 123.870 0.400 1 628 57 58 GLY H H 9.207 0.030 1 629 57 58 GLY HA2 H 4.326 0.030 2 630 57 58 GLY HA3 H 3.688 0.030 2 631 57 58 GLY C C 173.745 0.400 1 632 57 58 GLY CA C 44.982 0.400 1 633 57 58 GLY N N 119.355 0.400 1 634 58 59 PRO HA H 4.349 0.030 1 635 58 59 PRO HB2 H 2.601 0.030 2 636 58 59 PRO HB3 H 1.780 0.030 2 637 58 59 PRO HG2 H 1.933 0.030 2 638 58 59 PRO HG3 H 0.836 0.030 2 639 58 59 PRO HD2 H 3.838 0.030 2 640 58 59 PRO HD3 H 3.657 0.030 2 641 58 59 PRO C C 173.725 0.400 1 642 58 59 PRO CA C 63.352 0.400 1 643 58 59 PRO CB C 32.219 0.400 1 644 58 59 PRO CG C 25.031 0.400 1 645 58 59 PRO CD C 50.248 0.400 1 646 59 60 HIS H H 8.490 0.030 1 647 59 60 HIS HA H 5.008 0.030 1 648 59 60 HIS HB2 H 3.548 0.030 1 649 59 60 HIS HB3 H 2.947 0.030 1 650 59 60 HIS HD2 H 7.231 0.030 1 651 59 60 HIS C C 176.800 0.400 1 652 59 60 HIS CA C 56.742 0.400 1 653 59 60 HIS CB C 30.505 0.400 1 654 59 60 HIS CD2 C 120.156 0.400 1 655 59 60 HIS N N 119.976 0.400 1 656 60 61 ARG H H 9.415 0.030 1 657 60 61 ARG HA H 5.336 0.030 1 658 60 61 ARG HB2 H 2.150 0.030 2 659 60 61 ARG HB3 H 1.867 0.030 2 660 60 61 ARG HG2 H 1.547 0.030 2 661 60 61 ARG HG3 H 1.424 0.030 2 662 60 61 ARG HD2 H 3.428 0.030 2 663 60 61 ARG HD3 H 3.072 0.030 2 664 60 61 ARG HE H 6.358 0.030 1 665 60 61 ARG C C 174.626 0.400 1 666 60 61 ARG CA C 53.340 0.400 1 667 60 61 ARG CB C 29.760 0.400 1 668 60 61 ARG CG C 25.527 0.400 1 669 60 61 ARG CD C 42.637 0.400 1 670 60 61 ARG N N 127.605 0.400 1 671 60 61 ARG NE N 80.634 0.400 1 672 61 62 ARG H H 9.029 0.030 1 673 61 62 ARG HA H 5.763 0.030 1 674 61 62 ARG HB2 H 1.751 0.030 2 675 61 62 ARG HB3 H 1.454 0.030 2 676 61 62 ARG HG2 H 1.532 0.030 2 677 61 62 ARG HG3 H 1.447 0.030 2 678 61 62 ARG HD2 H 3.056 0.030 2 679 61 62 ARG HD3 H 3.174 0.030 2 680 61 62 ARG HE H 7.244 0.030 1 681 61 62 ARG C C 174.369 0.400 1 682 61 62 ARG CA C 53.906 0.400 1 683 61 62 ARG CB C 34.136 0.400 1 684 61 62 ARG CG C 28.121 0.400 1 685 61 62 ARG CD C 43.284 0.400 1 686 61 62 ARG N N 121.226 0.400 1 687 61 62 ARG NE N 84.636 0.400 1 688 62 63 LEU H H 8.443 0.030 1 689 62 63 LEU HA H 4.285 0.030 1 690 62 63 LEU HB2 H -0.105 0.030 2 691 62 63 LEU HB3 H -1.021 0.030 2 692 62 63 LEU HG H 0.699 0.030 1 693 62 63 LEU HD1 H 0.211 0.030 1 694 62 63 LEU HD2 H 0.074 0.030 1 695 62 63 LEU C C 173.890 0.400 1 696 62 63 LEU CA C 54.492 0.400 1 697 62 63 LEU CB C 41.205 0.400 1 698 62 63 LEU CG C 26.901 0.400 1 699 62 63 LEU CD1 C 26.834 0.400 1 700 62 63 LEU CD2 C 24.046 0.400 1 701 62 63 LEU N N 127.796 0.400 1 702 63 64 VAL H H 9.401 0.030 1 703 63 64 VAL HA H 4.439 0.030 1 704 63 64 VAL HB H 1.805 0.030 1 705 63 64 VAL HG1 H 0.614 0.030 1 706 63 64 VAL HG2 H 0.573 0.030 1 707 63 64 VAL C C 174.236 0.400 1 708 63 64 VAL CA C 60.601 0.400 1 709 63 64 VAL CB C 34.027 0.400 1 710 63 64 VAL CG1 C 20.916 0.400 1 711 63 64 VAL CG2 C 20.540 0.400 1 712 63 64 VAL N N 126.988 0.400 1 713 64 65 LEU H H 8.801 0.030 1 714 64 65 LEU HA H 5.088 0.030 1 715 64 65 LEU HB2 H 1.827 0.030 2 716 64 65 LEU HB3 H 1.298 0.030 2 717 64 65 LEU HG H 1.228 0.030 1 718 64 65 LEU HD1 H 0.576 0.030 1 719 64 65 LEU HD2 H 0.875 0.030 1 720 64 65 LEU C C 174.715 0.400 1 721 64 65 LEU CA C 50.756 0.400 1 722 64 65 LEU CB C 41.620 0.400 1 723 64 65 LEU CG C 25.926 0.400 1 724 64 65 LEU CD1 C 25.034 0.400 1 725 64 65 LEU CD2 C 24.606 0.400 1 726 64 65 LEU N N 128.265 0.400 1 727 65 66 PRO HA H 4.211 0.030 1 728 65 66 PRO HB2 H 2.264 0.030 1 729 65 66 PRO HB3 H 1.815 0.030 1 730 65 66 PRO HG2 H 1.916 0.030 2 731 65 66 PRO HG3 H 1.686 0.030 2 732 65 66 PRO HD2 H 3.899 0.030 2 733 65 66 PRO HD3 H 3.607 0.030 2 734 65 66 PRO C C 176.297 0.400 1 735 65 66 PRO CA C 64.498 0.400 1 736 65 66 PRO CB C 32.529 0.400 1 737 65 66 PRO CG C 27.346 0.400 1 738 65 66 PRO CD C 50.754 0.400 1 739 66 67 ALA H H 8.144 0.030 1 740 66 67 ALA HA H 4.105 0.030 1 741 66 67 ALA HB H 1.168 0.030 1 742 66 67 ALA C C 175.763 0.400 1 743 66 67 ALA CA C 51.087 0.400 1 744 66 67 ALA CB C 18.569 0.400 1 745 66 67 ALA N N 119.362 0.400 1 746 67 68 THR H H 8.218 0.030 1 747 67 68 THR HA H 4.149 0.030 1 748 67 68 THR HB H 4.035 0.030 1 749 67 68 THR HG2 H 1.113 0.030 1 750 67 68 THR C C 174.838 0.400 1 751 67 68 THR CA C 64.118 0.400 1 752 67 68 THR CB C 69.930 0.400 1 753 67 68 THR CG2 C 22.904 0.400 1 754 67 68 THR N N 117.343 0.400 1 755 68 69 GLN H H 9.520 0.030 1 756 68 69 GLN HA H 4.862 0.030 1 757 68 69 GLN HB2 H 2.208 0.030 2 758 68 69 GLN HB3 H 1.747 0.030 2 759 68 69 GLN HG2 H 2.387 0.030 2 760 68 69 GLN HG3 H 2.313 0.030 2 761 68 69 GLN HE21 H 7.464 0.030 2 762 68 69 GLN HE22 H 6.513 0.030 2 763 68 69 GLN C C 174.927 0.400 1 764 68 69 GLN CA C 52.708 0.400 1 765 68 69 GLN CB C 29.917 0.400 1 766 68 69 GLN CG C 33.258 0.400 1 767 68 69 GLN N N 124.532 0.400 1 768 68 69 GLN NE2 N 112.940 0.400 1 769 69 70 PRO HA H 4.176 0.030 1 770 69 70 PRO HB2 H 2.434 0.030 2 771 69 70 PRO HB3 H 1.959 0.030 2 772 69 70 PRO HG2 H 2.212 0.030 2 773 69 70 PRO HG3 H 1.967 0.030 2 774 69 70 PRO HD2 H 3.830 0.030 1 775 69 70 PRO HD3 H 3.830 0.030 1 776 69 70 PRO C C 177.858 0.400 1 777 69 70 PRO CA C 65.983 0.400 1 778 69 70 PRO CB C 31.382 0.400 1 779 69 70 PRO CG C 28.087 0.400 1 780 69 70 PRO CD C 50.114 0.400 1 781 70 71 SER H H 7.722 0.030 1 782 70 71 SER HA H 4.280 0.030 1 783 70 71 SER HB2 H 4.060 0.030 2 784 70 71 SER HB3 H 3.762 0.030 2 785 70 71 SER C C 174.994 0.400 1 786 70 71 SER CA C 59.148 0.400 1 787 70 71 SER CB C 62.477 0.400 1 788 70 71 SER N N 108.694 0.400 1 789 71 72 ASP H H 8.298 0.030 1 790 71 72 ASP HA H 4.583 0.030 1 791 71 72 ASP HB2 H 2.875 0.030 1 792 71 72 ASP HB3 H 2.875 0.030 1 793 71 72 ASP C C 175.083 0.400 1 794 71 72 ASP CA C 56.222 0.400 1 795 71 72 ASP CB C 41.904 0.400 1 796 71 72 ASP N N 121.783 0.400 1 797 72 73 GLY H H 7.394 0.030 1 798 72 73 GLY HA2 H 3.947 0.030 2 799 72 73 GLY HA3 H 3.733 0.030 2 800 72 73 GLY C C 173.870 0.400 1 801 72 73 GLY CA C 45.028 0.400 1 802 72 73 GLY N N 101.724 0.400 1 803 73 74 GLY H H 8.936 0.030 1 804 73 74 GLY HA2 H 4.567 0.030 2 805 73 74 GLY HA3 H 4.040 0.030 2 806 73 74 GLY C C 171.448 0.400 1 807 73 74 GLY CA C 44.883 0.400 1 808 73 74 GLY N N 109.329 0.400 1 809 74 75 GLU H H 8.667 0.030 1 810 74 75 GLU HA H 5.319 0.030 1 811 74 75 GLU HB2 H 2.199 0.030 2 812 74 75 GLU HB3 H 2.054 0.030 2 813 74 75 GLU HG2 H 2.388 0.030 2 814 74 75 GLU HG3 H 2.301 0.030 2 815 74 75 GLU C C 176.109 0.400 1 816 74 75 GLU CA C 54.618 0.400 1 817 74 75 GLU CB C 30.550 0.400 1 818 74 75 GLU CG C 35.664 0.400 1 819 74 75 GLU N N 119.978 0.400 1 820 75 76 PHE H H 9.924 0.030 1 821 75 76 PHE HA H 5.924 0.030 1 822 75 76 PHE HB2 H 3.300 0.030 2 823 75 76 PHE HB3 H 2.973 0.030 2 824 75 76 PHE HD1 H 7.121 0.030 1 825 75 76 PHE HD2 H 7.121 0.030 1 826 75 76 PHE HE1 H 7.155 0.030 1 827 75 76 PHE HE2 H 7.155 0.030 1 828 75 76 PHE HZ H 6.826 0.030 1 829 75 76 PHE C C 176.055 0.400 1 830 75 76 PHE CA C 56.284 0.400 1 831 75 76 PHE CB C 42.866 0.400 1 832 75 76 PHE CD1 C 131.967 0.400 1 833 75 76 PHE CD2 C 131.967 0.400 1 834 75 76 PHE CE1 C 130.889 0.400 1 835 75 76 PHE CE2 C 130.889 0.400 1 836 75 76 PHE CZ C 129.172 0.400 1 837 75 76 PHE N N 125.693 0.400 1 838 76 77 GLN H H 9.415 0.030 1 839 76 77 GLN HA H 5.491 0.030 1 840 76 77 GLN HB2 H 1.888 0.030 2 841 76 77 GLN HB3 H 1.794 0.030 2 842 76 77 GLN HG2 H 1.794 0.030 2 843 76 77 GLN HG3 H 1.888 0.030 2 844 76 77 GLN HE21 H 6.734 0.030 2 845 76 77 GLN HE22 H 6.613 0.030 2 846 76 77 GLN C C 174.158 0.400 1 847 76 77 GLN CA C 53.797 0.400 1 848 76 77 GLN CB C 34.064 0.400 1 849 76 77 GLN CG C 33.500 0.400 1 850 76 77 GLN N N 120.212 0.400 1 851 76 77 GLN NE2 N 110.713 0.400 1 852 77 78 CYS H H 8.704 0.030 1 853 77 78 CYS HA H 4.341 0.030 1 854 77 78 CYS HB2 H 1.936 0.030 2 855 77 78 CYS HB3 H 0.716 0.030 2 856 77 78 CYS C C 173.154 0.400 1 857 77 78 CYS CA C 57.471 0.400 1 858 77 78 CYS CB C 27.549 0.400 1 859 77 78 CYS N N 124.085 0.400 1 860 78 79 VAL H H 9.132 0.030 1 861 78 79 VAL HA H 4.375 0.030 1 862 78 79 VAL HB H 1.980 0.030 1 863 78 79 VAL HG1 H 0.844 0.030 1 864 78 79 VAL HG2 H 0.799 0.030 1 865 78 79 VAL C C 175.172 0.400 1 866 78 79 VAL CA C 61.776 0.400 1 867 78 79 VAL CB C 33.376 0.400 1 868 78 79 VAL CG1 C 20.921 0.400 1 869 78 79 VAL CG2 C 21.927 0.400 1 870 78 79 VAL N N 128.203 0.400 1 871 79 80 ALA H H 8.366 0.030 1 872 79 80 ALA HA H 4.598 0.030 1 873 79 80 ALA HB H 0.941 0.030 1 874 79 80 ALA C C 174.860 0.400 1 875 79 80 ALA CA C 49.672 0.400 1 876 79 80 ALA CB C 20.874 0.400 1 877 79 80 ALA N N 132.734 0.400 1 878 80 81 GLY H H 8.639 0.030 1 879 80 81 GLY HA2 H 3.818 0.030 2 880 80 81 GLY HA3 H 3.479 0.030 2 881 80 81 GLY C C 174.470 0.400 1 882 80 81 GLY CA C 47.054 0.400 1 883 80 81 GLY N N 111.702 0.400 1 884 81 82 ASP H H 9.048 0.030 1 885 81 82 ASP HA H 4.733 0.030 1 886 81 82 ASP HB2 H 2.871 0.030 2 887 81 82 ASP HB3 H 2.572 0.030 2 888 81 82 ASP C C 175.567 0.400 1 889 81 82 ASP CA C 53.800 0.400 1 890 81 82 ASP CB C 41.484 0.400 1 891 81 82 ASP N N 127.009 0.400 1 892 82 83 GLU H H 8.438 0.030 1 893 82 83 GLU HA H 4.612 0.030 1 894 82 83 GLU HB2 H 2.169 0.030 2 895 82 83 GLU HB3 H 2.039 0.030 2 896 82 83 GLU HG2 H 2.310 0.030 2 897 82 83 GLU HG3 H 2.601 0.030 2 898 82 83 GLU C C 174.314 0.400 1 899 82 83 GLU CA C 55.754 0.400 1 900 82 83 GLU CB C 32.191 0.400 1 901 82 83 GLU CG C 36.682 0.400 1 902 82 83 GLU N N 121.271 0.400 1 903 83 84 CYS H H 8.219 0.030 1 904 83 84 CYS HA H 5.218 0.030 1 905 83 84 CYS HB2 H 2.404 0.030 1 906 83 84 CYS HB3 H 2.404 0.030 1 907 83 84 CYS C C 172.312 0.400 1 908 83 84 CYS CA C 56.525 0.400 1 909 83 84 CYS CB C 30.581 0.400 1 910 83 84 CYS N N 116.920 0.400 1 911 84 85 ALA H H 8.692 0.030 1 912 84 85 ALA HA H 4.587 0.030 1 913 84 85 ALA HB H 1.207 0.030 1 914 84 85 ALA C C 174.949 0.400 1 915 84 85 ALA CA C 49.753 0.400 1 916 84 85 ALA CB C 22.222 0.400 1 917 84 85 ALA N N 128.406 0.400 1 918 85 86 TYR H H 8.643 0.030 1 919 85 86 TYR HA H 4.814 0.030 1 920 85 86 TYR HB2 H 2.129 0.030 2 921 85 86 TYR HB3 H 1.935 0.030 2 922 85 86 TYR HD1 H 6.991 0.030 1 923 85 86 TYR HD2 H 6.991 0.030 1 924 85 86 TYR HE1 H 6.654 0.030 1 925 85 86 TYR HE2 H 6.654 0.030 1 926 85 86 TYR C C 173.622 0.400 1 927 85 86 TYR CA C 57.388 0.400 1 928 85 86 TYR CB C 40.933 0.400 1 929 85 86 TYR CD1 C 133.264 0.400 1 930 85 86 TYR CD2 C 133.264 0.400 1 931 85 86 TYR CE1 C 117.870 0.400 1 932 85 86 TYR CE2 C 117.870 0.400 1 933 85 86 TYR N N 119.550 0.400 1 934 86 87 PHE H H 8.909 0.030 1 935 86 87 PHE HA H 5.482 0.030 1 936 86 87 PHE HB2 H 3.106 0.030 2 937 86 87 PHE HB3 H 2.704 0.030 2 938 86 87 PHE HD1 H 7.064 0.030 1 939 86 87 PHE HD2 H 7.064 0.030 1 940 86 87 PHE HE1 H 7.259 0.030 1 941 86 87 PHE HE2 H 7.259 0.030 1 942 86 87 PHE C C 175.841 0.400 1 943 86 87 PHE CA C 54.660 0.400 1 944 86 87 PHE CB C 43.265 0.400 1 945 86 87 PHE CD1 C 132.622 0.400 1 946 86 87 PHE CD2 C 132.622 0.400 1 947 86 87 PHE CE1 C 131.167 0.400 1 948 86 87 PHE CE2 C 131.167 0.400 1 949 86 87 PHE CZ C 129.649 0.400 1 950 86 87 PHE N N 117.475 0.400 1 951 87 88 THR H H 9.402 0.030 1 952 87 88 THR HA H 5.238 0.030 1 953 87 88 THR HB H 3.953 0.030 1 954 87 88 THR HG2 H 1.404 0.030 1 955 87 88 THR C C 173.622 0.400 1 956 87 88 THR CA C 62.704 0.400 1 957 87 88 THR CB C 71.038 0.400 1 958 87 88 THR CG2 C 21.614 0.400 1 959 87 88 THR N N 122.264 0.400 1 960 88 89 VAL H H 9.400 0.030 1 961 88 89 VAL HA H 5.055 0.030 1 962 88 89 VAL HB H 2.398 0.030 1 963 88 89 VAL HG1 H 0.755 0.030 1 964 88 89 VAL HG2 H 0.796 0.030 1 965 88 89 VAL C C 175.953 0.400 1 966 88 89 VAL CA C 61.115 0.400 1 967 88 89 VAL CB C 33.390 0.400 1 968 88 89 VAL CG1 C 20.807 0.400 1 969 88 89 VAL CG2 C 22.459 0.400 1 970 88 89 VAL N N 128.922 0.400 1 971 89 90 THR H H 9.116 0.030 1 972 89 90 THR HA H 4.734 0.030 1 973 89 90 THR HB H 4.115 0.030 1 974 89 90 THR HG2 H 1.275 0.030 1 975 89 90 THR C C 171.816 0.400 1 976 89 90 THR CA C 61.020 0.400 1 977 89 90 THR CB C 70.719 0.400 1 978 89 90 THR CG2 C 21.594 0.400 1 979 89 90 THR N N 123.765 0.400 1 980 90 91 ILE H H 8.021 0.030 1 981 90 91 ILE HA H 4.311 0.030 1 982 90 91 ILE HB H 1.615 0.030 1 983 90 91 ILE HG12 H 1.335 0.030 2 984 90 91 ILE HG13 H 0.925 0.030 2 985 90 91 ILE HG2 H 0.741 0.030 1 986 90 91 ILE HD1 H 0.604 0.030 1 987 90 91 ILE C C 170.211 0.400 1 988 90 91 ILE CA C 62.459 0.400 1 989 90 91 ILE CB C 40.457 0.400 1 990 90 91 ILE CG1 C 28.236 0.400 1 991 90 91 ILE CG2 C 17.826 0.400 1 992 90 91 ILE CD1 C 14.015 0.400 1 993 90 91 ILE N N 128.538 0.400 1 stop_ save_