data_15547 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of ubiquitin domain N-terminal to S27a ribosome subunit from Giardia lamblia ; _BMRB_accession_number 15547 _BMRB_flat_file_name bmr15547.str _Entry_type original _Submission_date 2007-11-07 _Accession_date 2007-11-07 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Solution structure of ubiquitin domain N-terminal to S27a ribosome subunit from Giardia lamblia' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Catic Andre . . 2 Sun Zhen-Yu J. . 3 Ratner Daniel M. . 4 Misaghi Shahram . . 5 Spooner Eric . . 6 Samuelson John . . 7 Wagner Gerhard . . 8 Ploegh Hidde L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 360 "13C chemical shifts" 265 "15N chemical shifts" 66 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-11-03 original author . stop_ _Original_release_date 2008-11-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Sequence and structure evolved separately in a ribosomal ubiquitin variant' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17599068 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Catic Andre . . 2 Sun Zhen-Yu J. . 3 Ratner Daniel M. . 4 Misaghi Shahram . . 5 Spooner Eric . . 6 Samuelson John . . 7 Wagner Gerhard . . 8 Ploegh Hidde L. . stop_ _Journal_abbreviation 'EMBO J.' _Journal_volume 26 _Journal_issue 14 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3474 _Page_last 3483 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name GlUb(S27a) _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label GlUb(S27a) $GlUb(S27a) 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_GlUb(S27a) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common GlUb(S27a) _Molecular_mass 7307.402 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 69 _Mol_residue_sequence ; MLVIVRLQDQTLPFELPAGA RASQLSNLLSSSGMAFSLHT QGRVLSEAAELNDKMVIDAF VPADGAGLE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 MET 2 0 LEU 3 1 VAL 4 2 ILE 5 3 VAL 6 4 ARG 7 5 LEU 8 6 GLN 9 7 ASP 10 8 GLN 11 9 THR 12 10 LEU 13 11 PRO 14 12 PHE 15 13 GLU 16 14 LEU 17 15 PRO 18 16 ALA 19 17 GLY 20 18 ALA 21 19 ARG 22 20 ALA 23 21 SER 24 22 GLN 25 23 LEU 26 24 SER 27 25 ASN 28 26 LEU 29 27 LEU 30 28 SER 31 29 SER 32 30 SER 33 31 GLY 34 32 MET 35 33 ALA 36 34 PHE 37 35 SER 38 36 LEU 39 37 HIS 40 38 THR 41 39 GLN 42 40 GLY 43 41 ARG 44 42 VAL 45 43 LEU 46 44 SER 47 45 GLU 48 46 ALA 49 47 ALA 50 48 GLU 51 49 LEU 52 50 ASN 53 51 ASP 54 52 LYS 55 53 MET 56 54 VAL 57 55 ILE 58 56 ASP 59 57 ALA 60 58 PHE 61 59 VAL 62 60 PRO 63 61 ALA 64 62 ASP 65 63 GLY 66 64 ALA 67 65 GLY 68 66 LEU 69 67 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 2JX5 "Solution Structure Of The Ubiquitin Domain N-Terminal To The S27a Ribosomal Subunit Of Giardia Lamblia" 100.00 69 100.00 100.00 4.12e-40 GB EDO78147 "hypothetical protein GL50803_16298 [Giardia lamblia ATCC 50803]" 97.10 137 100.00 100.00 4.78e-39 GB ESU35090 "SSU ribosomal protein S27AE / Ubiquitin [Giardia intestinalis]" 97.10 137 100.00 100.00 4.78e-39 REF XP_001705821 "Hypothetical protein GL50803_16298 [Giardia lamblia ATCC 50803]" 97.10 137 100.00 100.00 4.78e-39 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic _Details $GlUb(S27a) 'Giardia intestinalis' 5741 Eukaryota . Giardia lamblia MR4 S27a ; Giardia lamblia trophozoites (strain MR4) were cultured axenically under standard conditions (Ghosh et al., Infect. Immun. 2001) ; stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name _Details $GlUb(S27a) 'recombinant technology' . Escherichia coli BL21 BL21(DE3) pET28a 'contains GB1 domain at the N-terminus and 6-His tag at the C-terminus (both excluded from structure calculations)' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '15N/13C labeled' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GlUb(S27a) 1 mM '[U-99% 13C; U-99% 15N]' 'potassium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' D2O 10 % 'natural abundance' H20 90 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details unlabeled loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GlUb(S27a) 1 mM 'natural abundance' 'potassium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '10% C13-labeled' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GlUb(S27a) 1 mM '[U-10% 13C]' 'potassium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_PROSA _Saveframe_category software _Name PROSA _Version 3.7 loop_ _Vendor _Address _Electronic_address Guntert . . stop_ loop_ _Task processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.8.2 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_RNMRTK _Saveframe_category software _Name RNMRTK _Version 3 loop_ _Vendor _Address _Electronic_address 'Stern and Hoch' . ; stern@rowland.harvard.edu hoch@uchc.edu ; stop_ loop_ _Task processing stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version 2003.027.13.05 loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details 'cryogenic probe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details 'cryogenic probe' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 6.2 . 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 '3D HNCO' '3D 1H-13C NOESY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name GlUb(S27a) _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET H H 9.288 0.000 1 2 1 1 MET HA H 4.696 0.000 1 3 1 1 MET HB2 H 1.844 0.000 2 4 1 1 MET HB3 H 1.844 0.000 2 5 1 1 MET HE H 1.994 0.000 1 6 1 1 MET HG2 H 2.273 0.000 2 7 1 1 MET HG3 H 2.193 0.000 2 8 1 1 MET C C 172.604 0.000 1 9 1 1 MET CA C 54.324 0.000 1 10 1 1 MET CB C 35.869 0.000 1 11 1 1 MET CE C 17.460 0.000 1 12 1 1 MET CG C 30.557 0.000 1 13 1 1 MET N N 120.420 0.000 1 14 2 2 LEU H H 9.099 0.000 1 15 2 2 LEU HA H 5.183 0.000 1 16 2 2 LEU HB2 H 1.746 0.000 2 17 2 2 LEU HB3 H 1.446 0.000 2 18 2 2 LEU HD1 H 0.823 0.000 1 19 2 2 LEU HD2 H 0.827 0.000 1 20 2 2 LEU C C 176.031 0.000 1 21 2 2 LEU CA C 53.682 0.000 1 22 2 2 LEU CB C 43.994 0.000 1 23 2 2 LEU CD1 C 23.687 0.000 1 24 2 2 LEU CD2 C 25.250 0.000 1 25 2 2 LEU N N 125.441 0.000 1 26 3 3 VAL H H 9.070 0.000 1 27 3 3 VAL HA H 4.720 0.000 1 28 3 3 VAL HB H 1.968 0.000 1 29 3 3 VAL HG1 H 0.888 0.000 1 30 3 3 VAL HG2 H 0.876 0.000 1 31 3 3 VAL C C 173.653 0.000 1 32 3 3 VAL CA C 59.935 0.000 1 33 3 3 VAL CB C 34.312 0.000 1 34 3 3 VAL CG1 C 22.119 0.000 1 35 3 3 VAL CG2 C 20.875 0.000 1 36 3 3 VAL N N 123.079 0.000 1 37 4 4 ILE H H 8.552 0.000 1 38 4 4 ILE HA H 4.530 0.000 1 39 4 4 ILE HB H 1.896 0.000 1 40 4 4 ILE HD1 H 0.702 0.000 1 41 4 4 ILE HG12 H 1.364 0.000 2 42 4 4 ILE HG13 H 1.131 0.000 2 43 4 4 ILE HG2 H 0.722 0.000 1 44 4 4 ILE C C 174.344 0.000 1 45 4 4 ILE CA C 59.313 0.000 1 46 4 4 ILE CB C 38.999 0.000 1 47 4 4 ILE CD1 C 11.813 0.000 1 48 4 4 ILE CG1 C 27.434 0.000 1 49 4 4 ILE CG2 C 18.375 0.000 1 50 4 4 ILE N N 124.929 0.000 1 51 5 5 VAL H H 8.911 0.000 1 52 5 5 VAL HA H 4.968 0.000 1 53 5 5 VAL HB H 2.301 0.000 1 54 5 5 VAL HG1 H 0.739 0.000 1 55 5 5 VAL HG2 H 0.910 0.000 1 56 5 5 VAL C C 174.722 0.000 1 57 5 5 VAL CA C 60.247 0.000 1 58 5 5 VAL CB C 33.369 0.000 1 59 5 5 VAL CG1 C 21.813 0.000 1 60 5 5 VAL CG2 C 23.375 0.000 1 61 5 5 VAL N N 127.032 0.000 1 62 6 6 ARG H H 9.417 0.000 1 63 6 6 ARG HA H 4.945 0.000 1 64 6 6 ARG HB2 H 1.993 0.000 2 65 6 6 ARG HB3 H 1.792 0.000 2 66 6 6 ARG HD2 H 3.130 0.000 2 67 6 6 ARG HD3 H 3.130 0.000 2 68 6 6 ARG HE H 7.532 0.000 1 69 6 6 ARG HG2 H 1.506 0.000 2 70 6 6 ARG HG3 H 1.506 0.000 2 71 6 6 ARG C C 174.662 0.000 1 72 6 6 ARG CA C 55.557 0.000 1 73 6 6 ARG CB C 30.557 0.000 1 74 6 6 ARG CD C 43.369 0.000 1 75 6 6 ARG CG C 27.119 0.000 1 76 6 6 ARG N N 127.895 0.000 1 77 6 6 ARG NE N 84.480 0.000 1 78 7 7 LEU H H 8.368 0.000 1 79 7 7 LEU HA H 4.761 0.000 1 80 7 7 LEU HB2 H 1.715 0.000 2 81 7 7 LEU HB3 H 1.305 0.000 2 82 7 7 LEU HD1 H 0.687 0.000 1 83 7 7 LEU HD2 H 0.695 0.000 1 84 7 7 LEU HG H 0.862 0.000 1 85 7 7 LEU C C 175.869 0.000 1 86 7 7 LEU CA C 53.682 0.000 1 87 7 7 LEU CB C 43.994 0.000 1 88 7 7 LEU CD1 C 24.937 0.000 1 89 7 7 LEU CD2 C 25.562 0.000 1 90 7 7 LEU N N 127.357 0.000 1 91 8 8 GLN H H 9.244 0.000 1 92 8 8 GLN HA H 3.825 0.000 1 93 8 8 GLN HB2 H 2.268 0.000 2 94 8 8 GLN HB3 H 2.140 0.000 2 95 8 8 GLN HG2 H 2.386 0.000 2 96 8 8 GLN HG3 H 2.386 0.000 2 97 8 8 GLN C C 175.478 0.000 1 98 8 8 GLN CA C 58.372 0.000 1 99 8 8 GLN CB C 27.125 0.000 1 100 8 8 GLN CG C 34.000 0.000 1 101 8 8 GLN N N 123.025 0.000 1 102 9 9 ASP H H 8.622 0.000 1 103 9 9 ASP HA H 4.609 0.000 1 104 9 9 ASP HB2 H 2.786 0.000 2 105 9 9 ASP HB3 H 2.786 0.000 2 106 9 9 ASP C C 175.352 0.000 1 107 9 9 ASP CA C 54.619 0.000 1 108 9 9 ASP CB C 40.576 0.000 1 109 9 9 ASP N N 117.207 0.000 1 110 10 10 GLN H H 7.972 0.000 1 111 10 10 GLN HA H 4.644 0.000 1 112 10 10 GLN HB2 H 2.093 0.000 2 113 10 10 GLN HB3 H 2.093 0.000 2 114 10 10 GLN HG2 H 2.322 0.000 2 115 10 10 GLN HG3 H 2.322 0.000 2 116 10 10 GLN C C 174.812 0.000 1 117 10 10 GLN CA C 54.932 0.000 1 118 10 10 GLN CB C 31.807 0.000 1 119 10 10 GLN CG C 33.682 0.000 1 120 10 10 GLN N N 118.451 0.000 1 121 11 11 THR H H 8.593 0.000 1 122 11 11 THR HA H 4.874 0.000 1 123 11 11 THR HB H 3.911 0.000 1 124 11 11 THR HG2 H 1.000 0.000 1 125 11 11 THR C C 173.521 0.000 1 126 11 11 THR CA C 61.810 0.000 1 127 11 11 THR CB C 69.934 0.000 1 128 11 11 THR CG2 C 22.125 0.000 1 129 11 11 THR N N 118.464 0.000 1 130 12 12 LEU H H 9.554 0.000 1 131 12 12 LEU HA H 4.872 0.000 1 132 12 12 LEU HB2 H 1.805 0.000 2 133 12 12 LEU HB3 H 1.238 0.000 2 134 12 12 LEU HD1 H 0.846 0.000 1 135 12 12 LEU HD2 H 0.831 0.000 1 136 12 12 LEU CA C 51.494 0.000 1 137 12 12 LEU CB C 44.932 0.000 1 138 12 12 LEU CD1 C 25.557 0.000 1 139 12 12 LEU CD2 C 23.682 0.000 1 140 12 12 LEU N N 128.567 0.000 1 141 13 13 PRO HA H 5.141 0.000 1 142 13 13 PRO HB2 H 2.008 0.000 2 143 13 13 PRO HB3 H 1.801 0.000 2 144 13 13 PRO HD2 H 3.709 0.000 2 145 13 13 PRO HD3 H 3.646 0.000 2 146 13 13 PRO HG2 H 1.987 0.000 2 147 13 13 PRO HG3 H 1.872 0.000 2 148 13 13 PRO C C 176.800 0.000 1 149 13 13 PRO CA C 60.869 0.000 1 150 13 13 PRO CB C 32.119 0.000 1 151 13 13 PRO CD C 50.244 0.000 1 152 13 13 PRO CG C 27.432 0.000 1 153 14 14 PHE H H 9.302 0.000 1 154 14 14 PHE HA H 4.622 0.000 1 155 14 14 PHE HB2 H 2.649 0.000 2 156 14 14 PHE HB3 H 2.649 0.000 2 157 14 14 PHE HD1 H 7.144 0.000 3 158 14 14 PHE HD2 H 7.144 0.000 3 159 14 14 PHE HE1 H 7.073 0.000 3 160 14 14 PHE HE2 H 7.073 0.000 3 161 14 14 PHE C C 173.677 0.000 1 162 14 14 PHE CA C 57.747 0.000 1 163 14 14 PHE CB C 42.749 0.000 1 164 14 14 PHE N N 121.778 0.000 1 165 15 15 GLU H H 8.516 0.000 1 166 15 15 GLU HA H 5.260 0.000 1 167 15 15 GLU HB2 H 1.924 0.000 2 168 15 15 GLU HB3 H 1.852 0.000 2 169 15 15 GLU HG2 H 2.185 0.000 2 170 15 15 GLU HG3 H 2.038 0.000 2 171 15 15 GLU C C 175.821 0.000 1 172 15 15 GLU CA C 54.932 0.000 1 173 15 15 GLU CB C 30.244 0.000 1 174 15 15 GLU CG C 36.494 0.000 1 175 15 15 GLU N N 123.002 0.000 1 176 16 16 LEU H H 8.937 0.000 1 177 16 16 LEU HA H 4.952 0.000 1 178 16 16 LEU HB2 H 1.250 0.000 2 179 16 16 LEU HB3 H 1.250 0.000 2 180 16 16 LEU HD1 H 0.829 0.000 1 181 16 16 LEU HD2 H 0.800 0.000 1 182 16 16 LEU HG H 1.392 0.000 1 183 16 16 LEU CA C 51.494 0.000 1 184 16 16 LEU CB C 44.941 0.000 1 185 16 16 LEU CD1 C 23.682 0.000 1 186 16 16 LEU CD2 C 23.994 0.000 1 187 16 16 LEU CG C 23.940 0.000 1 188 16 16 LEU N N 126.803 0.000 1 189 17 17 PRO HA H 4.547 0.000 1 190 17 17 PRO HB2 H 2.328 0.000 2 191 17 17 PRO HB3 H 1.905 0.000 2 192 17 17 PRO HD2 H 3.790 0.000 2 193 17 17 PRO HD3 H 3.440 0.000 2 194 17 17 PRO HG2 H 2.015 0.000 2 195 17 17 PRO HG3 H 2.015 0.000 2 196 17 17 PRO C C 175.472 0.000 1 197 17 17 PRO CA C 62.119 0.000 1 198 17 17 PRO CB C 32.119 0.000 1 199 17 17 PRO CD C 50.244 0.000 1 200 17 17 PRO CG C 27.432 0.000 1 201 18 18 ALA H H 7.892 0.000 1 202 18 18 ALA HA H 4.065 0.000 1 203 18 18 ALA HB H 1.253 0.000 1 204 18 18 ALA C C 178.735 0.000 1 205 18 18 ALA CA C 53.060 0.000 1 206 18 18 ALA CB C 18.063 0.000 1 207 18 18 ALA N N 121.997 0.000 1 208 19 19 GLY H H 8.519 0.000 1 209 19 19 GLY HA2 H 3.754 0.000 2 210 19 19 GLY HA3 H 4.066 0.000 2 211 19 19 GLY C C 174.376 0.000 1 212 19 19 GLY CA C 44.625 0.000 1 213 19 19 GLY N N 110.335 0.000 1 214 20 20 ALA H H 7.459 0.000 1 215 20 20 ALA HA H 4.210 0.000 1 216 20 20 ALA HB H 1.360 0.000 1 217 20 20 ALA C C 176.171 0.000 1 218 20 20 ALA CA C 52.751 0.000 1 219 20 20 ALA CB C 20.563 0.000 1 220 20 20 ALA N N 121.746 0.000 1 221 21 21 ARG H H 8.148 0.000 1 222 21 21 ARG HA H 5.132 0.000 1 223 21 21 ARG HB2 H 1.957 0.000 2 224 21 21 ARG HB3 H 1.765 0.000 2 225 21 21 ARG HD2 H 3.135 0.000 2 226 21 21 ARG HD3 H 3.135 0.000 2 227 21 21 ARG HG2 H 1.608 0.000 2 228 21 21 ARG HG3 H 1.598 0.000 2 229 21 21 ARG C C 178.292 0.000 1 230 21 21 ARG CA C 53.369 0.000 1 231 21 21 ARG CB C 32.921 0.000 1 232 21 21 ARG CD C 43.057 0.000 1 233 21 21 ARG CG C 27.430 0.000 1 234 21 21 ARG N N 118.121 0.000 1 235 22 22 ALA H H 8.867 0.000 1 236 22 22 ALA HA H 3.799 0.000 1 237 22 22 ALA HB H 1.467 0.000 1 238 22 22 ALA C C 178.735 0.000 1 239 22 22 ALA CA C 55.872 0.000 1 240 22 22 ALA CB C 18.375 0.000 1 241 22 22 ALA N N 123.186 0.000 1 242 23 23 SER H H 8.383 0.000 1 243 23 23 SER HA H 4.205 0.000 1 244 23 23 SER HB2 H 3.957 0.000 2 245 23 23 SER HB3 H 3.957 0.000 2 246 23 23 SER C C 176.754 0.000 1 247 23 23 SER CA C 60.557 0.000 1 248 23 23 SER CB C 61.807 0.000 1 249 23 23 SER N N 111.612 0.000 1 250 24 24 GLN H H 7.744 0.000 1 251 24 24 GLN HA H 4.173 0.000 1 252 24 24 GLN HB2 H 2.354 0.000 2 253 24 24 GLN HB3 H 2.113 0.000 2 254 24 24 GLN HG2 H 2.438 0.000 2 255 24 24 GLN HG3 H 2.359 0.000 2 256 24 24 GLN C C 178.689 0.000 1 257 24 24 GLN CA C 58.682 0.000 1 258 24 24 GLN CB C 28.682 0.000 1 259 24 24 GLN CG C 35.244 0.000 1 260 24 24 GLN N N 121.537 0.000 1 261 25 25 LEU H H 7.199 0.000 1 262 25 25 LEU HA H 3.970 0.000 1 263 25 25 LEU HB2 H 1.822 0.000 2 264 25 25 LEU HB3 H 1.210 0.000 2 265 25 25 LEU HD1 H 0.356 0.000 1 266 25 25 LEU HD2 H 0.603 0.000 1 267 25 25 LEU HG H 1.214 0.000 1 268 25 25 LEU C C 177.966 0.000 1 269 25 25 LEU CA C 56.810 0.000 1 270 25 25 LEU CB C 41.494 0.000 1 271 25 25 LEU CD1 C 22.750 0.000 1 272 25 25 LEU CD2 C 26.500 0.000 1 273 25 25 LEU CG C 26.807 0.000 1 274 25 25 LEU N N 119.709 0.000 1 275 26 26 SER H H 8.650 0.000 1 276 26 26 SER HA H 3.970 0.000 1 277 26 26 SER HB2 H 3.957 0.000 2 278 26 26 SER HB3 H 3.957 0.000 2 279 26 26 SER C C 176.917 0.000 1 280 26 26 SER CA C 62.744 0.000 1 281 26 26 SER CB C 62.119 0.000 1 282 26 26 SER N N 114.988 0.000 1 283 27 27 ASN H H 7.876 0.000 1 284 27 27 ASN HA H 4.517 0.000 1 285 27 27 ASN HB2 H 2.846 0.000 2 286 27 27 ASN HB3 H 2.846 0.000 2 287 27 27 ASN C C 177.197 0.000 1 288 27 27 ASN CA C 55.869 0.000 1 289 27 27 ASN CB C 38.369 0.000 1 290 27 27 ASN N N 118.197 0.000 1 291 28 28 LEU H H 7.433 0.000 1 292 28 28 LEU HA H 4.219 0.000 1 293 28 28 LEU HB2 H 1.761 0.000 2 294 28 28 LEU HB3 H 1.761 0.000 2 295 28 28 LEU HD1 H 0.917 0.000 1 296 28 28 LEU HD2 H 0.906 0.000 1 297 28 28 LEU HG H 1.510 0.000 1 298 28 28 LEU C C 179.411 0.000 1 299 28 28 LEU CA C 57.122 0.000 1 300 28 28 LEU CB C 41.984 0.000 1 301 28 28 LEU CD1 C 23.063 0.000 1 302 28 28 LEU CD2 C 23.063 0.000 1 303 28 28 LEU CG C 26.950 0.000 1 304 28 28 LEU N N 120.223 0.000 1 305 29 29 LEU H H 7.866 0.000 1 306 29 29 LEU HA H 4.091 0.000 1 307 29 29 LEU HB2 H 1.664 0.000 2 308 29 29 LEU HB3 H 1.664 0.000 2 309 29 29 LEU HD1 H 0.471 0.000 1 310 29 29 LEU HD2 H 0.556 0.000 1 311 29 29 LEU HG H 1.394 0.000 1 312 29 29 LEU C C 178.386 0.000 1 313 29 29 LEU CA C 56.497 0.000 1 314 29 29 LEU CB C 42.124 0.000 1 315 29 29 LEU CD1 C 25.875 0.000 1 316 29 29 LEU CD2 C 23.375 0.000 1 317 29 29 LEU CG C 25.925 0.000 1 318 29 29 LEU N N 119.017 0.000 1 319 30 30 SER H H 8.117 0.000 1 320 30 30 SER HA H 4.615 0.000 1 321 30 30 SER HB2 H 4.039 0.000 2 322 30 30 SER HB3 H 4.039 0.000 2 323 30 30 SER C C 175.145 0.000 1 324 30 30 SER CA C 59.932 0.000 1 325 30 30 SER CB C 63.057 0.000 1 326 30 30 SER N N 114.044 0.000 1 327 31 31 SER H H 8.084 0.000 1 328 31 31 SER HA H 4.535 0.000 1 329 31 31 SER HB2 H 4.262 0.000 2 330 31 31 SER HB3 H 4.262 0.000 2 331 31 31 SER CA C 58.994 0.000 1 332 31 31 SER CB C 63.682 0.000 1 333 31 31 SER N N 115.938 0.000 1 334 32 32 SER HA H 4.547 0.000 1 335 32 32 SER HB2 H 4.038 0.000 2 336 32 32 SER HB3 H 4.038 0.000 2 337 32 32 SER CA C 58.682 0.000 1 338 32 32 SER CB C 63.369 0.000 1 339 33 33 GLY H H 8.080 0.000 1 340 33 33 GLY HA2 H 3.786 0.000 2 341 33 33 GLY HA3 H 4.160 0.000 2 342 33 33 GLY C C 173.746 0.000 1 343 33 33 GLY CA C 45.561 0.000 1 344 33 33 GLY N N 109.530 0.000 1 345 34 34 MET H H 7.781 0.000 1 346 34 34 MET HA H 4.371 0.000 1 347 34 34 MET HB2 H 1.765 0.000 2 348 34 34 MET HB3 H 1.661 0.000 2 349 34 34 MET HG2 H 2.302 0.000 2 350 34 34 MET HG3 H 2.302 0.000 2 351 34 34 MET C C 174.073 0.000 1 352 34 34 MET CA C 54.619 0.000 1 353 34 34 MET CB C 33.994 0.000 1 354 34 34 MET CG C 31.807 0.000 1 355 34 34 MET N N 119.527 0.000 1 356 35 35 ALA H H 7.956 0.000 1 357 35 35 ALA HA H 4.374 0.000 1 358 35 35 ALA HB H 1.210 0.000 1 359 35 35 ALA C C 175.915 0.000 1 360 35 35 ALA CA C 51.185 0.000 1 361 35 35 ALA CB C 19.000 0.000 1 362 35 35 ALA N N 125.314 0.000 1 363 36 36 PHE H H 7.838 0.000 1 364 36 36 PHE HA H 4.858 0.000 1 365 36 36 PHE HB2 H 2.938 0.000 2 366 36 36 PHE HB3 H 2.613 0.000 2 367 36 36 PHE HD1 H 6.962 0.000 3 368 36 36 PHE HD2 H 6.962 0.000 3 369 36 36 PHE HE1 H 7.210 0.000 3 370 36 36 PHE HE2 H 7.210 0.000 3 371 36 36 PHE HZ H 7.235 0.000 1 372 36 36 PHE C C 175.868 0.000 1 373 36 36 PHE CA C 57.122 0.000 1 374 36 36 PHE CB C 41.812 0.000 1 375 36 36 PHE N N 117.347 0.000 1 376 37 37 SER H H 8.943 0.000 1 377 37 37 SER HA H 4.623 0.000 1 378 37 37 SER HB2 H 3.769 0.000 2 379 37 37 SER HB3 H 3.576 0.000 2 380 37 37 SER C C 173.490 0.000 1 381 37 37 SER CA C 57.432 0.000 1 382 37 37 SER CB C 63.994 0.000 1 383 37 37 SER N N 117.034 0.000 1 384 38 38 LEU H H 8.787 0.000 1 385 38 38 LEU HA H 5.072 0.000 1 386 38 38 LEU HB2 H 1.961 0.000 2 387 38 38 LEU HB3 H 1.116 0.000 2 388 38 38 LEU HD1 H 0.825 0.000 1 389 38 38 LEU HD2 H 0.633 0.000 1 390 38 38 LEU HG H 1.716 0.000 1 391 38 38 LEU C C 175.467 0.000 1 392 38 38 LEU CA C 53.994 0.000 1 393 38 38 LEU CB C 43.057 0.000 1 394 38 38 LEU CD1 C 25.869 0.000 1 395 38 38 LEU CD2 C 22.432 0.000 1 396 38 38 LEU CG C 26.182 0.000 1 397 38 38 LEU N N 124.534 0.000 1 398 39 39 HIS H H 9.132 0.000 1 399 39 39 HIS HA H 5.434 0.000 1 400 39 39 HIS HB2 H 2.994 0.000 2 401 39 39 HIS HB3 H 2.994 0.000 2 402 39 39 HIS C C 174.656 0.000 1 403 39 39 HIS CA C 53.994 0.000 1 404 39 39 HIS CB C 35.869 0.000 1 405 39 39 HIS N N 121.803 0.000 1 406 40 40 THR H H 9.101 0.000 1 407 40 40 THR HA H 4.947 0.000 1 408 40 40 THR HB H 4.160 0.000 1 409 40 40 THR HG2 H 1.185 0.000 1 410 40 40 THR C C 173.373 0.000 1 411 40 40 THR CA C 60.872 0.000 1 412 40 40 THR CB C 69.934 0.000 1 413 40 40 THR CG2 C 19.619 0.000 1 414 40 40 THR N N 114.826 0.000 1 415 41 41 GLN H H 9.462 0.000 1 416 41 41 GLN HA H 3.967 0.000 1 417 41 41 GLN HB2 H 2.326 0.000 2 418 41 41 GLN HB3 H 2.156 0.000 2 419 41 41 GLN HG2 H 2.506 0.000 2 420 41 41 GLN HG3 H 2.409 0.000 2 421 41 41 GLN C C 176.031 0.000 1 422 41 41 GLN CA C 56.809 0.000 1 423 41 41 GLN CB C 27.119 0.000 1 424 41 41 GLN CG C 34.307 0.000 1 425 41 41 GLN N N 125.458 0.000 1 426 42 42 GLY H H 9.114 0.000 1 427 42 42 GLY HA2 H 3.681 0.000 2 428 42 42 GLY HA3 H 4.177 0.000 2 429 42 42 GLY C C 173.977 0.000 1 430 42 42 GLY CA C 45.557 0.000 1 431 42 42 GLY N N 105.029 0.000 1 432 43 43 ARG H H 8.140 0.000 1 433 43 43 ARG HA H 4.725 0.000 1 434 43 43 ARG HB2 H 1.852 0.000 2 435 43 43 ARG HB3 H 1.852 0.000 2 436 43 43 ARG HD2 H 3.203 0.000 2 437 43 43 ARG HD3 H 3.203 0.000 2 438 43 43 ARG HG2 H 1.689 0.000 2 439 43 43 ARG HG3 H 1.596 0.000 2 440 43 43 ARG CA C 53.994 0.000 1 441 43 43 ARG CB C 32.744 0.000 1 442 43 43 ARG CD C 43.369 0.000 1 443 43 43 ARG CG C 26.807 0.000 1 444 43 43 ARG N N 121.025 0.000 1 445 44 44 VAL HA H 3.819 0.000 1 446 44 44 VAL HB H 1.837 0.000 1 447 44 44 VAL HG1 H 0.825 0.000 1 448 44 44 VAL HG2 H 0.787 0.000 1 449 44 44 VAL C C 176.124 0.000 1 450 44 44 VAL CA C 62.747 0.000 1 451 44 44 VAL CB C 32.125 0.000 1 452 44 44 VAL CG1 C 20.563 0.000 1 453 44 44 VAL CG2 C 21.813 0.000 1 454 45 45 LEU H H 8.513 0.000 1 455 45 45 LEU HA H 4.388 0.000 1 456 45 45 LEU HB2 H 1.372 0.000 2 457 45 45 LEU HB3 H 1.372 0.000 2 458 45 45 LEU HD1 H 0.706 0.000 1 459 45 45 LEU HD2 H 0.730 0.000 1 460 45 45 LEU HG H 1.486 0.000 1 461 45 45 LEU C C 177.197 0.000 1 462 45 45 LEU CA C 53.682 0.000 1 463 45 45 LEU CB C 42.437 0.000 1 464 45 45 LEU CD1 C 25.244 0.000 1 465 45 45 LEU CD2 C 24.619 0.000 1 466 45 45 LEU CG C 26.812 0.000 1 467 45 45 LEU N N 129.261 0.000 1 468 46 46 SER H H 8.238 0.000 1 469 46 46 SER HA H 4.441 0.000 1 470 46 46 SER HB2 H 4.114 0.000 2 471 46 46 SER HB3 H 3.875 0.000 2 472 46 46 SER C C 175.052 0.000 1 473 46 46 SER CA C 57.744 0.000 1 474 46 46 SER CB C 63.682 0.000 1 475 46 46 SER N N 116.459 0.000 1 476 47 47 GLU H H 8.743 0.000 1 477 47 47 GLU HA H 4.009 0.000 1 478 47 47 GLU HB2 H 2.053 0.000 2 479 47 47 GLU HB3 H 2.053 0.000 2 480 47 47 GLU HG2 H 2.335 0.000 2 481 47 47 GLU HG3 H 2.335 0.000 2 482 47 47 GLU C C 176.054 0.000 1 483 47 47 GLU CA C 59.307 0.000 1 484 47 47 GLU CB C 29.619 0.000 1 485 47 47 GLU CG C 36.182 0.000 1 486 47 47 GLU N N 121.669 0.000 1 487 48 48 ALA H H 7.738 0.000 1 488 48 48 ALA HA H 4.477 0.000 1 489 48 48 ALA HB H 1.382 0.000 1 490 48 48 ALA C C 177.267 0.000 1 491 48 48 ALA CA C 50.873 0.000 1 492 48 48 ALA CB C 19.000 0.000 1 493 48 48 ALA N N 117.799 0.000 1 494 49 49 ALA H H 7.597 0.000 1 495 49 49 ALA HA H 4.086 0.000 1 496 49 49 ALA HB H 1.428 0.000 1 497 49 49 ALA C C 177.104 0.000 1 498 49 49 ALA CA C 52.748 0.000 1 499 49 49 ALA CB C 19.938 0.000 1 500 49 49 ALA N N 122.785 0.000 1 501 50 50 GLU H H 8.511 0.000 1 502 50 50 GLU HA H 4.140 0.000 1 503 50 50 GLU HB2 H 1.986 0.000 2 504 50 50 GLU HB3 H 1.906 0.000 2 505 50 50 GLU HG2 H 2.261 0.000 2 506 50 50 GLU HG3 H 2.261 0.000 2 507 50 50 GLU C C 176.054 0.000 1 508 50 50 GLU CA C 56.807 0.000 1 509 50 50 GLU CB C 30.557 0.000 1 510 50 50 GLU CG C 36.494 0.000 1 511 50 50 GLU N N 121.303 0.000 1 512 51 51 LEU H H 8.047 0.000 1 513 51 51 LEU HA H 4.501 0.000 1 514 51 51 LEU HB2 H 1.595 0.000 2 515 51 51 LEU HB3 H 1.595 0.000 2 516 51 51 LEU HD1 H 0.697 0.000 1 517 51 51 LEU HD2 H 0.822 0.000 1 518 51 51 LEU HG H 1.547 0.000 1 519 51 51 LEU C C 174.656 0.000 1 520 51 51 LEU CA C 53.379 0.000 1 521 51 51 LEU CB C 42.121 0.000 1 522 51 51 LEU CD1 C 27.209 0.000 1 523 51 51 LEU CD2 C 23.946 0.000 1 524 51 51 LEU CG C 27.241 0.000 1 525 51 51 LEU N N 122.325 0.000 1 526 52 52 ASN H H 7.424 0.000 1 527 52 52 ASN HA H 5.067 0.000 1 528 52 52 ASN HB2 H 2.763 0.000 2 529 52 52 ASN HB3 H 2.612 0.000 2 530 52 52 ASN HD21 H 7.340 0.000 1 531 52 52 ASN HD22 H 6.940 0.000 1 532 52 52 ASN C C 173.094 0.000 1 533 52 52 ASN CA C 52.119 0.000 1 534 52 52 ASN CB C 42.744 0.000 1 535 52 52 ASN N N 115.275 0.000 1 536 52 52 ASN ND2 N 112.828 0.000 1 537 53 53 ASP H H 8.495 0.000 1 538 53 53 ASP HA H 4.376 0.000 1 539 53 53 ASP HB2 H 2.788 0.000 2 540 53 53 ASP HB3 H 2.594 0.000 2 541 53 53 ASP C C 176.544 0.000 1 542 53 53 ASP CA C 55.869 0.000 1 543 53 53 ASP CB C 41.807 0.000 1 544 53 53 ASP N N 118.480 0.000 1 545 54 54 LYS H H 9.479 0.000 1 546 54 54 LYS HA H 3.713 0.000 1 547 54 54 LYS C C 175.495 0.000 1 548 54 54 LYS CA C 57.750 0.000 1 549 54 54 LYS N N 119.414 0.000 1 550 55 55 MET H H 7.665 0.000 1 551 55 55 MET HA H 4.198 0.000 1 552 55 55 MET HB2 H 2.265 0.000 2 553 55 55 MET HB3 H 1.957 0.000 2 554 55 55 MET HG2 H 2.593 0.000 2 555 55 55 MET HG3 H 2.245 0.000 2 556 55 55 MET C C 173.746 0.000 1 557 55 55 MET CA C 57.119 0.000 1 558 55 55 MET CB C 34.932 0.000 1 559 55 55 MET CG C 32.432 0.000 1 560 55 55 MET N N 119.804 0.000 1 561 56 56 VAL H H 8.282 0.000 1 562 56 56 VAL HA H 4.831 0.000 1 563 56 56 VAL HB H 1.954 0.000 1 564 56 56 VAL HG1 H 0.774 0.000 1 565 56 56 VAL HG2 H 0.924 0.000 1 566 56 56 VAL C C 176.264 0.000 1 567 56 56 VAL CA C 61.497 0.000 1 568 56 56 VAL CB C 32.437 0.000 1 569 56 56 VAL CG1 C 20.557 0.000 1 570 56 56 VAL CG2 C 20.875 0.000 1 571 56 56 VAL N N 122.814 0.000 1 572 57 57 ILE H H 9.651 0.000 1 573 57 57 ILE HA H 4.644 0.000 1 574 57 57 ILE HB H 1.734 0.000 1 575 57 57 ILE HD1 H 0.725 0.000 1 576 57 57 ILE HG12 H 1.414 0.000 2 577 57 57 ILE HG13 H 1.414 0.000 2 578 57 57 ILE HG2 H 0.864 0.000 1 579 57 57 ILE C C 173.770 0.000 1 580 57 57 ILE CA C 59.307 0.000 1 581 57 57 ILE CB C 41.494 0.000 1 582 57 57 ILE CD1 C 14.625 0.000 1 583 57 57 ILE CG1 C 28.369 0.000 1 584 57 57 ILE CG2 C 19.000 0.000 1 585 57 57 ILE N N 132.467 0.000 1 586 58 58 ASP H H 9.257 0.000 1 587 58 58 ASP HA H 5.173 0.000 1 588 58 58 ASP HB2 H 2.309 0.000 2 589 58 58 ASP HB3 H 2.309 0.000 2 590 58 58 ASP C C 173.886 0.000 1 591 58 58 ASP CA C 53.994 0.000 1 592 58 58 ASP CB C 43.682 0.000 1 593 58 58 ASP N N 127.121 0.000 1 594 59 59 ALA H H 8.424 0.000 1 595 59 59 ALA HA H 5.335 0.000 1 596 59 59 ALA HB H 0.888 0.000 1 597 59 59 ALA C C 175.611 0.000 1 598 59 59 ALA CA C 49.935 0.000 1 599 59 59 ALA CB C 20.875 0.000 1 600 59 59 ALA N N 125.860 0.000 1 601 60 60 PHE H H 8.621 0.000 1 602 60 60 PHE HA H 4.986 0.000 1 603 60 60 PHE HB2 H 3.148 0.000 2 604 60 60 PHE HB3 H 2.809 0.000 2 605 60 60 PHE HD1 H 6.939 0.000 3 606 60 60 PHE HD2 H 6.939 0.000 3 607 60 60 PHE HE1 H 7.198 0.000 3 608 60 60 PHE HE2 H 7.198 0.000 3 609 60 60 PHE C C 174.469 0.000 1 610 60 60 PHE CA C 55.872 0.000 1 611 60 60 PHE CB C 41.187 0.000 1 612 60 60 PHE N N 119.918 0.000 1 613 61 61 VAL H H 8.648 0.000 1 614 61 61 VAL HA H 4.458 0.000 1 615 61 61 VAL HB H 2.033 0.000 1 616 61 61 VAL HG1 H 0.920 0.000 1 617 61 61 VAL HG2 H 0.876 0.000 1 618 61 61 VAL CA C 59.622 0.000 1 619 61 61 VAL CB C 32.437 0.000 1 620 61 61 VAL CG1 C 20.875 0.000 1 621 61 61 VAL CG2 C 20.875 0.000 1 622 61 61 VAL N N 123.408 0.000 1 623 62 62 PRO HA H 4.395 0.000 1 624 62 62 PRO HB2 H 2.281 0.000 2 625 62 62 PRO HB3 H 1.923 0.000 2 626 62 62 PRO HD2 H 3.809 0.000 2 627 62 62 PRO HD3 H 3.660 0.000 2 628 62 62 PRO HG2 H 1.960 0.000 2 629 62 62 PRO HG3 H 1.870 0.000 2 630 62 62 PRO C C 176.614 0.000 1 631 62 62 PRO CA C 63.057 0.000 1 632 62 62 PRO CB C 32.119 0.000 1 633 62 62 PRO CD C 50.869 0.000 1 634 62 62 PRO CG C 27.432 0.000 1 635 63 63 ALA H H 8.410 0.000 1 636 63 63 ALA HA H 4.281 0.000 1 637 63 63 ALA HB H 1.376 0.000 1 638 63 63 ALA C C 177.527 0.000 1 639 63 63 ALA CA C 52.435 0.000 1 640 63 63 ALA CB C 19.000 0.000 1 641 63 63 ALA N N 124.350 0.000 1 642 64 64 ASP H H 8.264 0.000 1 643 64 64 ASP HA H 4.571 0.000 1 644 64 64 ASP HB2 H 2.681 0.000 2 645 64 64 ASP HB3 H 2.681 0.000 2 646 64 64 ASP C C 176.824 0.000 1 647 64 64 ASP CA C 53.994 0.000 1 648 64 64 ASP CB C 41.182 0.000 1 649 64 64 ASP N N 118.930 0.000 1 650 65 65 GLY H H 8.289 0.000 1 651 65 65 GLY HA2 H 3.906 0.000 2 652 65 65 GLY HA3 H 3.906 0.000 2 653 65 65 GLY C C 174.096 0.000 1 654 65 65 GLY CA C 45.249 0.000 1 655 65 65 GLY N N 109.281 0.000 1 656 66 66 ALA H H 8.147 0.000 1 657 66 66 ALA HA H 4.306 0.000 1 658 66 66 ALA HB H 1.384 0.000 1 659 66 66 ALA CA C 52.435 0.000 1 660 66 66 ALA CB C 19.000 0.000 1 661 66 66 ALA N N 123.586 0.000 1 662 67 67 GLY H H 8.414 0.000 1 663 67 67 GLY HA2 H 3.921 0.000 2 664 67 67 GLY HA3 H 3.921 0.000 2 665 67 67 GLY C C 174.306 0.000 1 666 67 67 GLY CA C 45.561 0.000 1 667 67 67 GLY N N 108.025 0.000 1 668 68 68 LEU H H 7.994 0.000 1 669 68 68 LEU HA H 4.265 0.000 1 670 68 68 LEU HB2 H 1.556 0.000 2 671 68 68 LEU HB3 H 1.513 0.000 2 672 68 68 LEU HD1 H 0.858 0.000 1 673 68 68 LEU HD2 H 0.798 0.000 1 674 68 68 LEU HG H 1.531 0.000 1 675 68 68 LEU C C 177.430 0.000 1 676 68 68 LEU CA C 54.935 0.000 1 677 68 68 LEU CB C 42.124 0.000 1 678 68 68 LEU CD1 C 24.937 0.000 1 679 68 68 LEU CD2 C 23.063 0.000 1 680 68 68 LEU CG C 26.812 0.000 1 681 68 68 LEU N N 121.101 0.000 1 682 69 69 GLU H H 8.447 0.000 1 683 69 69 GLU HA H 4.156 0.000 1 684 69 69 GLU HB2 H 1.858 0.000 2 685 69 69 GLU HB3 H 1.858 0.000 2 686 69 69 GLU HG2 H 2.183 0.000 2 687 69 69 GLU HG3 H 2.103 0.000 2 688 69 69 GLU CA C 56.807 0.000 1 689 69 69 GLU CB C 29.619 0.000 1 690 69 69 GLU CG C 35.869 0.000 1 691 69 69 GLU N N 120.768 0.000 1 stop_ save_