data_6846 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structural analysis of Nop10p from Saccharomyces cerevisiae ; _BMRB_accession_number 6846 _BMRB_flat_file_name bmr6846.str _Entry_type original _Submission_date 2005-09-29 _Accession_date 2005-10-20 _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 Hamma T. . . 2 Reichow S. . . 3 Varani G. . . 4 Ferre-D'Amare A. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 359 "13C chemical shifts" 234 "15N chemical shifts" 58 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-12-28 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 6845 'Nop10 from Methanocaldococcus jannaschii' stop_ _Original_release_date 2005-12-28 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The Cbf5-Nop10 complex is a molecular bracket that organizes box H/ACA RNPs' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16286935 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hamma T. . . 2 Reichow S. L. . 3 Varani G. . . 4 Ferre-D'Amare A. R. . stop_ _Journal_abbreviation 'Nat. Struct. Mol. Biol.' _Journal_volume 12 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1101 _Page_last 1107 _Year 2005 _Details . loop_ _Keyword aNop10 Zinc-Ribbon stop_ save_ ################################## # Molecular system description # ################################## save_system _Saveframe_category molecular_system _Mol_system_name 'H/ACA ribonucleoprotein complex subunit 3' _Abbreviation_common 'H/ACA ribonucleoprotein complex subunit 3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'H/ACA ribonucleoprotein complex subunit 3' $Nop10 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Nop10 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'H/ACA ribonucleoprotein complex subunit 3' _Abbreviation_common 'H/ACA ribonucleoprotein complex subunit 3' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 63 _Mol_residue_sequence ; HLMYTLGPDGKRIYTLKKVT ESGEITKSAHPARFSPDDKY SRQRVTLKKRFGLVPGQHHH HHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 HIS 2 3 LEU 3 4 MET 4 5 TYR 5 6 THR 6 7 LEU 7 8 GLY 8 9 PRO 9 10 ASP 10 11 GLY 11 12 LYS 12 13 ARG 13 14 ILE 14 15 TYR 15 16 THR 16 17 LEU 17 18 LYS 18 19 LYS 19 20 VAL 20 21 THR 21 22 GLU 22 23 SER 23 24 GLY 24 25 GLU 25 26 ILE 26 27 THR 27 28 LYS 28 29 SER 29 30 ALA 30 31 HIS 31 32 PRO 32 33 ALA 33 34 ARG 34 35 PHE 35 36 SER 36 37 PRO 37 38 ASP 38 39 ASP 39 40 LYS 40 41 TYR 41 42 SER 42 43 ARG 43 44 GLN 44 45 ARG 45 46 VAL 46 47 THR 47 48 LEU 48 49 LYS 49 50 LYS 50 51 ARG 51 52 PHE 52 53 GLY 53 54 LEU 54 55 VAL 55 56 PRO 56 57 GLY 57 58 GLN 58 59 HIS 59 60 HIS 60 61 HIS 61 62 HIS 62 63 HIS 63 64 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1Y2Y "Structural Characterization Of Nop10p Using Nuclear Magnetic Resonance Spectroscopy" 90.48 58 100.00 100.00 8.64e-33 PDB 2AQA "Nmr Structural Analysis Of Nop10p From Saccharomyces Cerevisiae" 100.00 63 100.00 100.00 4.45e-37 PDB 3U28 "Crystal Structure Of A Cbf5-Nop10-Gar1 Complex From Saccharomyces Cerevisiae" 90.48 58 100.00 100.00 8.64e-33 PDB 3UAI "Structure Of The Shq1-cbf5-nop10-gar1 Complex From Saccharomyces Cerevisiae" 90.48 58 100.00 100.00 8.64e-33 DBJ GAA23788 "K7_Nop10p [Saccharomyces cerevisiae Kyokai no. 7]" 90.48 58 100.00 100.00 8.64e-33 EMBL CAY80079 "Nop10p [Saccharomyces cerevisiae EC1118]" 90.48 58 100.00 100.00 8.64e-33 GB AAS56874 "YHR072W-A [Saccharomyces cerevisiae]" 90.48 58 100.00 100.00 8.64e-33 GB AHY77771 "Nop10p [Saccharomyces cerevisiae YJM993]" 90.48 58 100.00 100.00 8.64e-33 GB EDN62310 "H/ACA-box snoRNPs component [Saccharomyces cerevisiae YJM789]" 90.48 58 100.00 100.00 8.64e-33 GB EDV09121 "H/ACA-box snoRNPs component [Saccharomyces cerevisiae RM11-1a]" 90.48 58 100.00 100.00 8.64e-33 GB EEU04743 "Nop10p [Saccharomyces cerevisiae JAY291]" 90.48 58 100.00 100.00 8.64e-33 PIR S78745 "protein YHR072w-a - yeast (Saccharomyces cerevisiae)" 90.48 58 100.00 100.00 8.64e-33 REF NP_058135 "Nop10p [Saccharomyces cerevisiae S288c]" 90.48 58 100.00 100.00 8.64e-33 REF XP_011103755 "nop10p [Saccharomyces arboricola H-6]" 90.48 58 98.25 98.25 3.28e-32 SP Q6Q547 "RecName: Full=H/ACA ribonucleoprotein complex subunit 3; AltName: Full=Nucleolar protein 10; AltName: Full=Nucleolar protein fa" 90.48 58 100.00 100.00 8.64e-33 TPG DAA06766 "TPA: Nop10p [Saccharomyces cerevisiae S288c]" 90.48 58 100.00 100.00 8.64e-33 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Nop10 'baker's yeast' 4932 Eukaryota . Saccharomyces cerevisiae 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 $Nop10 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Nop10 1 mM . 'Sodium Acetate' 50 mM . KCl 100 mM . H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Nop10 1 mM . 'Sodium Acetate' 50 mM . KCl 100 mM . D2O 100 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Nop10 1 mM [U-15N] 'Sodium Acetate' 50 mM . KCl 100 mM . H2O 90 % . D2O 10 % . stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Nop10 1 mM '[U-13C; U-15N]' 'Sodium Acetate' 50 mM . KCl 100 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 'v. 2.0' loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 'v. 2.3' loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_Sparky _Saveframe_category software _Name SPARKY _Version 'v. 3.110' loop_ _Vendor _Address _Electronic_address 'Goddard. T.D.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version 'v. 2003.027.13.05' loop_ _Vendor _Address _Electronic_address 'Cornilescu, G.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_3D_13C-separated_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 5.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'H/ACA ribonucleoprotein complex subunit 3' _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 2 1 HIS H H 8.285 0.000 1 2 2 1 HIS HA H 4.805 0.000 1 3 2 1 HIS CB C 29.560 0.040 1 4 2 1 HIS HB2 H 3.212 0.013 1 5 2 1 HIS HB3 H 3.212 0.013 1 6 2 1 HIS C C 174.715 0.000 1 7 3 2 LEU N N 124.873 0.021 1 8 3 2 LEU H H 8.481 0.004 1 9 3 2 LEU CA C 55.041 0.083 1 10 3 2 LEU HA H 4.423 0.006 1 11 3 2 LEU CB C 42.816 0.143 1 12 3 2 LEU HB2 H 1.615 0.006 2 13 3 2 LEU HB3 H 1.429 0.009 2 14 3 2 LEU CG C 27.209 0.041 1 15 3 2 LEU HG H 1.608 0.008 1 16 3 2 LEU HD1 H 0.866 0.002 2 17 3 2 LEU HD2 H 0.847 0.008 2 18 3 2 LEU CD1 C 25.010 0.040 1 19 3 2 LEU CD2 C 23.663 0.078 1 20 3 2 LEU C C 178.146 0.000 1 21 4 3 MET N N 121.427 0.039 1 22 4 3 MET H H 8.590 0.023 1 23 4 3 MET CA C 55.150 0.093 1 24 4 3 MET HA H 4.552 0.006 1 25 4 3 MET CB C 33.317 0.059 1 26 4 3 MET HB2 H 2.112 0.007 2 27 4 3 MET HB3 H 2.032 0.010 2 28 4 3 MET CG C 32.228 0.030 1 29 4 3 MET HG2 H 2.594 0.007 2 30 4 3 MET HG3 H 2.522 0.011 2 31 4 3 MET HE H 2.090 0.004 1 32 4 3 MET CE C 17.063 0.000 1 33 4 3 MET C C 176.101 0.000 1 34 5 4 TYR N N 117.264 0.030 1 35 5 4 TYR H H 7.621 0.003 1 36 5 4 TYR CA C 56.243 0.060 1 37 5 4 TYR HA H 5.086 0.013 1 38 5 4 TYR CB C 39.900 0.061 1 39 5 4 TYR HB2 H 2.558 0.015 1 40 5 4 TYR HB3 H 2.558 0.015 1 41 5 4 TYR HD1 H 6.793 0.012 1 42 5 4 TYR HE1 H 6.730 0.003 1 43 5 4 TYR HE2 H 6.730 0.003 1 44 5 4 TYR HD2 H 6.793 0.012 1 45 5 4 TYR C C 175.859 0.000 1 46 6 5 THR N N 114.057 0.033 1 47 6 5 THR H H 8.469 0.006 1 48 6 5 THR CA C 60.780 0.067 1 49 6 5 THR HA H 4.452 0.005 1 50 6 5 THR CB C 70.804 0.114 1 51 6 5 THR HB H 4.125 0.004 1 52 6 5 THR HG2 H 1.141 0.008 1 53 6 5 THR CG2 C 21.657 0.089 1 54 6 5 THR C C 174.314 0.000 1 55 7 6 LEU N N 123.265 0.049 1 56 7 6 LEU H H 8.464 0.003 1 57 7 6 LEU CA C 54.216 0.079 1 58 7 6 LEU HA H 4.831 0.008 1 59 7 6 LEU CB C 43.275 0.140 1 60 7 6 LEU HB2 H 1.714 0.010 2 61 7 6 LEU HB3 H 1.447 0.007 2 62 7 6 LEU CG C 27.033 0.094 1 63 7 6 LEU HG H 1.690 0.008 1 64 7 6 LEU HD1 H 0.912 0.009 2 65 7 6 LEU HD2 H 0.825 0.006 2 66 7 6 LEU CD1 C 24.900 0.029 1 67 7 6 LEU CD2 C 23.691 0.082 1 68 7 6 LEU C C 179.189 0.000 1 69 8 7 GLY N N 110.900 0.031 1 70 8 7 GLY H H 8.782 0.005 1 71 8 7 GLY CA C 44.425 0.076 1 72 8 7 GLY HA2 H 4.097 0.006 2 73 8 7 GLY HA3 H 4.413 0.007 2 74 9 8 PRO CD C 49.753 0.076 1 75 9 8 PRO CA C 64.332 0.110 1 76 9 8 PRO HA H 4.402 0.006 1 77 9 8 PRO CB C 31.817 0.120 1 78 9 8 PRO HB2 H 2.351 0.008 2 79 9 8 PRO HB3 H 1.998 0.006 2 80 9 8 PRO CG C 27.108 0.082 1 81 9 8 PRO HG2 H 2.056 0.014 1 82 9 8 PRO HG3 H 2.056 0.014 1 83 9 8 PRO HD2 H 3.708 0.010 1 84 9 8 PRO HD3 H 3.708 0.010 1 85 9 8 PRO C C 177.741 0.000 1 86 10 9 ASP N N 116.327 0.077 1 87 10 9 ASP H H 8.229 0.005 1 88 10 9 ASP CA C 53.214 0.062 1 89 10 9 ASP HA H 4.564 0.004 1 90 10 9 ASP CB C 40.276 0.114 1 91 10 9 ASP HB2 H 2.915 0.006 2 92 10 9 ASP HB3 H 2.700 0.003 2 93 10 9 ASP C C 178.077 0.000 1 94 11 10 GLY N N 107.864 0.043 1 95 11 10 GLY H H 8.220 0.005 1 96 11 10 GLY CA C 45.693 0.092 1 97 11 10 GLY HA2 H 3.656 0.008 2 98 11 10 GLY HA3 H 4.145 0.006 2 99 11 10 GLY C C 174.866 0.000 1 100 12 11 LYS N N 119.839 0.037 1 101 12 11 LYS H H 7.612 0.005 1 102 12 11 LYS CA C 55.686 0.079 1 103 12 11 LYS HA H 4.355 0.008 1 104 12 11 LYS CB C 33.237 0.012 1 105 12 11 LYS HB2 H 1.790 0.007 1 106 12 11 LYS HB3 H 1.790 0.007 1 107 12 11 LYS CG C 25.403 0.077 1 108 12 11 LYS HG2 H 1.336 0.011 1 109 12 11 LYS HG3 H 1.336 0.011 1 110 12 11 LYS CD C 29.201 0.039 1 111 12 11 LYS HD2 H 1.678 0.004 1 112 12 11 LYS HD3 H 1.678 0.004 1 113 12 11 LYS CE C 42.023 0.098 1 114 12 11 LYS HE2 H 2.987 0.003 1 115 12 11 LYS HE3 H 2.987 0.003 1 116 12 11 LYS C C 177.679 0.000 1 117 13 12 ARG N N 122.316 0.033 1 118 13 12 ARG H H 8.493 0.004 1 119 13 12 ARG CA C 56.896 0.062 1 120 13 12 ARG HA H 4.367 0.005 1 121 13 12 ARG CB C 31.099 0.092 1 122 13 12 ARG HB2 H 1.563 0.008 2 123 13 12 ARG HB3 H 1.107 0.015 2 124 13 12 ARG CG C 27.501 0.109 1 125 13 12 ARG HG2 H 1.544 0.007 2 126 13 12 ARG HG3 H 1.066 0.010 2 127 13 12 ARG CD C 43.412 0.114 1 128 13 12 ARG HD2 H 2.729 0.006 2 129 13 12 ARG HD3 H 2.205 0.010 2 130 13 12 ARG NE N 120.968 0.026 1 131 13 12 ARG HE H 6.861 0.003 1 132 13 12 ARG C C 177.146 0.000 1 133 14 13 ILE N N 123.826 0.031 1 134 14 13 ILE H H 8.739 0.007 1 135 14 13 ILE CA C 60.569 0.095 1 136 14 13 ILE HA H 4.245 0.005 1 137 14 13 ILE CB C 38.994 0.116 1 138 14 13 ILE HB H 1.795 0.005 1 139 14 13 ILE HG2 H 0.830 0.006 1 140 14 13 ILE CG2 C 17.628 0.104 1 141 14 13 ILE CG1 C 26.965 0.105 1 142 14 13 ILE HG12 H 1.432 0.009 2 143 14 13 ILE HG13 H 1.025 0.011 2 144 14 13 ILE HD1 H 0.797 0.007 1 145 14 13 ILE CD1 C 13.235 0.095 1 146 14 13 ILE C C 177.229 0.000 1 147 15 14 TYR N N 126.441 0.048 1 148 15 14 TYR H H 8.744 0.006 1 149 15 14 TYR CA C 58.441 0.116 1 150 15 14 TYR HA H 4.812 0.014 1 151 15 14 TYR CB C 39.237 0.083 1 152 15 14 TYR HB2 H 3.082 0.007 2 153 15 14 TYR HB3 H 2.867 0.008 2 154 15 14 TYR HD1 H 7.160 0.008 1 155 15 14 TYR HE1 H 6.748 0.008 1 156 15 14 TYR HE2 H 6.748 0.008 1 157 15 14 TYR HD2 H 7.160 0.008 1 158 15 14 TYR C C 177.347 0.000 1 159 16 15 THR N N 116.761 0.031 1 160 16 15 THR H H 8.304 0.005 1 161 16 15 THR CA C 61.774 0.020 1 162 16 15 THR HA H 4.356 0.007 1 163 16 15 THR CB C 69.997 0.129 1 164 16 15 THR HB H 4.135 0.007 1 165 16 15 THR HG2 H 1.183 0.008 1 166 16 15 THR CG2 C 21.743 0.008 1 167 16 15 THR C C 174.956 0.000 1 168 17 16 LEU N N 125.160 0.038 1 169 17 16 LEU H H 8.314 0.002 1 170 17 16 LEU CA C 55.068 0.013 1 171 17 16 LEU HA H 4.390 0.012 1 172 17 16 LEU CB C 42.557 0.039 1 173 17 16 LEU HB2 H 1.622 0.006 1 174 17 16 LEU HB3 H 1.622 0.006 1 175 17 16 LEU CG C 26.987 0.080 1 176 17 16 LEU HG H 1.614 0.003 1 177 17 16 LEU HD1 H 0.936 0.008 2 178 17 16 LEU HD2 H 0.888 0.006 2 179 17 16 LEU CD1 C 25.142 0.033 1 180 17 16 LEU CD2 C 23.916 0.097 1 181 17 16 LEU C C 177.813 0.000 1 182 18 17 LYS N N 122.920 0.085 1 183 18 17 LYS H H 8.290 0.004 1 184 18 17 LYS CA C 56.182 0.010 1 185 18 17 LYS HA H 4.326 0.005 1 186 18 17 LYS CB C 33.353 0.034 1 187 18 17 LYS HB2 H 1.765 0.010 1 188 18 17 LYS HB3 H 1.765 0.010 1 189 18 17 LYS CG C 24.919 0.038 1 190 18 17 LYS HG2 H 1.421 0.005 1 191 18 17 LYS HG3 H 1.421 0.005 1 192 18 17 LYS CD C 29.313 0.029 1 193 18 17 LYS HD2 H 1.695 0.007 1 194 18 17 LYS HD3 H 1.695 0.007 1 195 18 17 LYS CE C 42.216 0.022 1 196 18 17 LYS HE2 H 2.996 0.004 1 197 18 17 LYS HE3 H 2.996 0.004 1 198 18 17 LYS C C 177.283 0.000 1 199 19 18 LYS N N 123.878 0.046 1 200 19 18 LYS H H 8.392 0.002 1 201 19 18 LYS CA C 56.341 0.069 1 202 19 18 LYS HA H 4.309 0.004 1 203 19 18 LYS CB C 33.333 0.137 1 204 19 18 LYS HB2 H 1.813 0.008 1 205 19 18 LYS HB3 H 1.813 0.008 1 206 19 18 LYS CG C 24.885 0.019 1 207 19 18 LYS HG2 H 1.430 0.007 1 208 19 18 LYS HG3 H 1.430 0.007 1 209 19 18 LYS CD C 29.311 0.071 1 210 19 18 LYS HD2 H 1.686 0.004 1 211 19 18 LYS HD3 H 1.686 0.004 1 212 19 18 LYS CE C 42.217 0.003 1 213 19 18 LYS HE2 H 2.988 0.005 1 214 19 18 LYS HE3 H 2.988 0.005 1 215 19 18 LYS C C 177.741 0.000 1 216 20 19 VAL N N 122.341 0.005 1 217 20 19 VAL H H 8.290 0.008 1 218 20 19 VAL CA C 62.310 0.160 1 219 20 19 VAL HA H 4.201 0.006 1 220 20 19 VAL CB C 32.931 0.048 1 221 20 19 VAL HB H 2.093 0.006 1 222 20 19 VAL HG1 H 0.944 0.004 1 223 20 19 VAL HG2 H 0.944 0.004 1 224 20 19 VAL CG1 C 20.863 0.109 1 225 20 19 VAL CG2 C 20.964 0.000 1 226 20 19 VAL C C 177.477 0.000 1 227 21 20 THR N N 118.059 0.084 1 228 21 20 THR H H 8.236 0.006 1 229 21 20 THR CA C 61.897 0.010 1 230 21 20 THR HA H 4.330 0.011 1 231 21 20 THR CB C 69.797 0.067 1 232 21 20 THR HB H 4.209 0.008 1 233 21 20 THR HG2 H 1.204 0.006 1 234 21 20 THR CG2 C 21.732 0.082 1 235 21 20 THR C C 175.668 0.000 1 236 22 21 GLU N N 123.806 0.030 1 237 22 21 GLU H H 8.497 0.009 1 238 22 21 GLU CA C 56.553 0.089 1 239 22 21 GLU HA H 4.375 0.009 1 240 22 21 GLU CB C 30.256 0.078 1 241 22 21 GLU HB2 H 2.108 0.007 2 242 22 21 GLU HB3 H 1.970 0.006 2 243 22 21 GLU CG C 35.916 0.062 1 244 22 21 GLU HG2 H 2.301 0.007 1 245 22 21 GLU HG3 H 2.301 0.007 1 246 22 21 GLU C C 177.645 0.000 1 247 23 22 SER N N 117.016 0.029 1 248 23 22 SER H H 8.435 0.006 1 249 23 22 SER CA C 58.698 0.093 1 250 23 22 SER HA H 4.442 0.004 1 251 23 22 SER CB C 63.874 0.146 1 252 23 22 SER HB2 H 3.911 0.008 2 253 23 22 SER HB3 H 3.877 0.000 2 254 23 22 SER C C 176.317 0.000 1 255 24 23 GLY N N 111.018 0.048 1 256 24 23 GLY H H 8.454 0.006 1 257 24 23 GLY CA C 45.411 0.018 1 258 24 23 GLY HA2 H 3.980 0.005 1 259 24 23 GLY HA3 H 3.980 0.005 1 260 24 23 GLY C C 175.247 0.000 1 261 25 24 GLU N N 120.672 0.028 1 262 25 24 GLU H H 8.225 0.005 1 263 25 24 GLU CA C 56.562 0.027 1 264 25 24 GLU HA H 4.303 0.014 1 265 25 24 GLU CB C 30.399 0.097 1 266 25 24 GLU HB2 H 2.040 0.008 2 267 25 24 GLU HB3 H 1.938 0.010 2 268 25 24 GLU CG C 35.860 0.113 1 269 25 24 GLU HG2 H 2.261 0.010 1 270 25 24 GLU HG3 H 2.261 0.010 1 271 25 24 GLU C C 177.597 0.000 1 272 26 25 ILE N N 122.374 0.051 1 273 26 25 ILE H H 8.261 0.004 1 274 26 25 ILE CA C 61.345 0.120 1 275 26 25 ILE HA H 4.214 0.005 1 276 26 25 ILE CB C 38.558 0.138 1 277 26 25 ILE HB H 1.906 0.005 1 278 26 25 ILE HG2 H 0.920 0.008 1 279 26 25 ILE CG2 C 17.554 0.086 1 280 26 25 ILE CG1 C 27.525 0.056 1 281 26 25 ILE HG12 H 1.494 0.009 2 282 26 25 ILE HG13 H 1.225 0.005 2 283 26 25 ILE HD1 H 0.871 0.006 1 284 26 25 ILE CD1 C 13.071 0.165 1 285 26 25 ILE C C 177.867 0.000 1 286 27 26 THR N N 118.448 0.041 1 287 27 26 THR H H 8.201 0.007 1 288 27 26 THR CA C 62.007 0.096 1 289 27 26 THR HA H 4.336 0.006 1 290 27 26 THR CB C 69.727 0.001 1 291 27 26 THR HB H 4.200 0.007 1 292 27 26 THR HG2 H 1.207 0.006 1 293 27 26 THR CG2 C 21.826 0.091 1 294 27 26 THR C C 175.730 0.000 1 295 28 27 LYS N N 124.053 0.028 1 296 28 27 LYS H H 8.331 0.007 1 297 28 27 LYS CA C 56.459 0.117 1 298 28 27 LYS HA H 4.343 0.008 1 299 28 27 LYS CB C 33.195 0.068 1 300 28 27 LYS HB2 H 1.829 0.010 2 301 28 27 LYS HB3 H 1.773 0.006 2 302 28 27 LYS CG C 24.862 0.080 1 303 28 27 LYS HG2 H 1.445 0.006 1 304 28 27 LYS HG3 H 1.445 0.006 1 305 28 27 LYS CD C 29.373 0.096 1 306 28 27 LYS HD2 H 1.702 0.006 1 307 28 27 LYS HD3 H 1.702 0.006 1 308 28 27 LYS CE C 42.082 0.017 1 309 28 27 LYS HE2 H 2.997 0.006 1 310 28 27 LYS HE3 H 2.997 0.006 1 311 28 27 LYS C C 177.785 0.000 1 312 29 28 SER N N 116.727 0.020 1 313 29 28 SER H H 8.234 0.007 1 314 29 28 SER CA C 58.175 0.002 1 315 29 28 SER HA H 4.405 0.004 1 316 29 28 SER CB C 63.887 0.157 1 317 29 28 SER HB2 H 3.825 0.007 1 318 29 28 SER HB3 H 3.825 0.007 1 319 29 28 SER C C 175.244 0.000 1 320 30 29 ALA N N 125.776 0.023 1 321 30 29 ALA H H 8.290 0.003 1 322 30 29 ALA CA C 52.519 0.019 1 323 30 29 ALA HA H 4.276 0.009 1 324 30 29 ALA HB H 1.314 0.007 1 325 30 29 ALA CB C 19.475 0.025 1 326 30 29 ALA C C 178.320 0.000 1 327 31 30 HIS N N 117.611 0.034 1 328 31 30 HIS H H 8.337 0.004 1 329 31 30 HIS CA C 53.155 0.068 1 330 31 30 HIS HA H 4.969 0.004 1 331 31 30 HIS CB C 29.227 0.174 1 332 31 30 HIS HB2 H 3.196 0.013 2 333 31 30 HIS HB3 H 3.093 0.010 2 334 31 30 HIS HD2 H 7.159 0.002 1 335 32 31 PRO CD C 50.664 0.092 1 336 32 31 PRO CA C 63.150 0.073 1 337 32 31 PRO HA H 4.425 0.007 1 338 32 31 PRO CB C 32.219 0.092 1 339 32 31 PRO HB2 H 2.310 0.006 2 340 32 31 PRO HB3 H 1.923 0.007 2 341 32 31 PRO CG C 27.422 0.071 1 342 32 31 PRO HG2 H 2.015 0.009 2 343 32 31 PRO HG3 H 1.944 0.007 2 344 32 31 PRO HD2 H 3.688 0.007 2 345 32 31 PRO HD3 H 3.572 0.007 2 346 32 31 PRO C C 177.775 0.000 1 347 33 32 ALA N N 124.921 0.053 1 348 33 32 ALA H H 8.496 0.006 1 349 33 32 ALA CA C 52.484 0.030 1 350 33 32 ALA HA H 4.290 0.008 1 351 33 32 ALA HB H 1.370 0.008 1 352 33 32 ALA CB C 19.363 0.075 1 353 33 32 ALA C C 178.801 0.000 1 354 34 33 ARG N N 120.240 0.044 1 355 34 33 ARG H H 8.244 0.005 1 356 34 33 ARG CA C 55.968 0.105 1 357 34 33 ARG HA H 4.274 0.007 1 358 34 33 ARG CB C 31.046 0.016 1 359 34 33 ARG HB2 H 1.710 0.007 1 360 34 33 ARG HB3 H 1.710 0.007 1 361 34 33 ARG CG C 26.950 0.040 1 362 34 33 ARG HG2 H 1.518 0.007 1 363 34 33 ARG HG3 H 1.518 0.007 1 364 34 33 ARG CD C 43.357 0.100 1 365 34 33 ARG HD2 H 3.140 0.007 1 366 34 33 ARG HD3 H 3.140 0.007 1 367 34 33 ARG NE N 120.961 0.030 1 368 34 33 ARG HE H 7.154 0.003 1 369 34 33 ARG C C 176.948 0.000 1 370 35 34 PHE N N 121.715 0.030 1 371 35 34 PHE H H 8.305 0.003 1 372 35 34 PHE CA C 57.470 0.048 1 373 35 34 PHE HA H 4.683 0.010 1 374 35 34 PHE CB C 39.917 0.076 1 375 35 34 PHE HB2 H 3.093 0.006 2 376 35 34 PHE HB3 H 3.039 0.013 2 377 35 34 PHE HD1 H 7.225 0.009 1 378 35 34 PHE HE1 H 7.302 0.003 1 379 35 34 PHE HE2 H 7.302 0.003 1 380 35 34 PHE HD2 H 7.225 0.009 1 381 35 34 PHE C C 176.341 0.000 1 382 36 35 SER N N 119.698 0.033 1 383 36 35 SER H H 8.315 0.003 1 384 36 35 SER CA C 55.669 0.023 1 385 36 35 SER HA H 4.751 0.010 1 386 36 35 SER CB C 63.899 0.134 1 387 36 35 SER HB2 H 3.816 0.008 1 388 36 35 SER HB3 H 3.816 0.008 1 389 37 36 PRO CD C 50.877 0.042 1 390 37 36 PRO CA C 63.583 0.056 1 391 37 36 PRO HA H 4.367 0.006 1 392 37 36 PRO CB C 31.945 0.122 1 393 37 36 PRO HB2 H 2.311 0.008 2 394 37 36 PRO HB3 H 1.985 0.007 2 395 37 36 PRO CG C 27.470 0.047 1 396 37 36 PRO HG2 H 2.003 0.007 1 397 37 36 PRO HG3 H 2.003 0.007 1 398 37 36 PRO HD2 H 3.731 0.016 2 399 37 36 PRO HD3 H 3.653 0.011 2 400 37 36 PRO C C 177.693 0.000 1 401 38 37 ASP N N 119.247 0.071 1 402 38 37 ASP H H 8.232 0.004 1 403 38 37 ASP CA C 54.436 0.030 1 404 38 37 ASP HA H 4.584 0.004 1 405 38 37 ASP CB C 41.206 0.087 1 406 38 37 ASP HB2 H 2.727 0.006 2 407 38 37 ASP HB3 H 2.615 0.009 2 408 38 37 ASP C C 177.381 0.000 1 409 39 38 ASP N N 121.268 0.035 1 410 39 38 ASP H H 8.112 0.009 1 411 39 38 ASP CA C 54.654 0.117 1 412 39 38 ASP HA H 4.573 0.007 1 413 39 38 ASP CB C 41.360 0.045 1 414 39 38 ASP HB2 H 2.723 0.008 1 415 39 38 ASP HB3 H 2.723 0.008 1 416 39 38 ASP C C 177.837 0.000 1 417 40 39 LYS N N 121.038 0.041 1 418 40 39 LYS H H 8.205 0.006 1 419 40 39 LYS CA C 57.630 0.068 1 420 40 39 LYS HA H 4.079 0.007 1 421 40 39 LYS CB C 32.468 0.114 1 422 40 39 LYS HB2 H 1.638 0.006 1 423 40 39 LYS HB3 H 1.638 0.006 1 424 40 39 LYS CG C 24.448 0.086 1 425 40 39 LYS HG2 H 1.149 0.005 1 426 40 39 LYS HG3 H 1.149 0.005 1 427 40 39 LYS CD C 29.116 0.025 1 428 40 39 LYS HD2 H 1.579 0.006 1 429 40 39 LYS HD3 H 1.579 0.006 1 430 40 39 LYS CE C 42.048 0.051 1 431 40 39 LYS HE2 H 2.916 0.006 1 432 40 39 LYS HE3 H 2.916 0.006 1 433 40 39 LYS C C 178.201 0.000 1 434 41 40 TYR N N 119.216 0.048 1 435 41 40 TYR H H 8.078 0.004 1 436 41 40 TYR CA C 58.379 0.081 1 437 41 40 TYR HA H 4.550 0.008 1 438 41 40 TYR CB C 38.362 0.086 1 439 41 40 TYR HB2 H 3.160 0.005 2 440 41 40 TYR HB3 H 2.948 0.008 2 441 41 40 TYR HD1 H 7.147 0.006 1 442 41 40 TYR HE1 H 6.835 0.008 1 443 41 40 TYR HE2 H 6.835 0.008 1 444 41 40 TYR HD2 H 7.147 0.006 1 445 41 40 TYR C C 177.695 0.000 1 446 42 41 SER N N 116.545 0.058 1 447 42 41 SER H H 8.036 0.005 1 448 42 41 SER CA C 59.048 0.112 1 449 42 41 SER HA H 4.338 0.007 1 450 42 41 SER CB C 63.801 0.220 1 451 42 41 SER HB2 H 3.917 0.005 2 452 42 41 SER HB3 H 3.877 0.012 2 453 42 41 SER C C 176.230 0.000 1 454 43 42 ARG N N 122.306 0.079 1 455 43 42 ARG H H 8.225 0.009 1 456 43 42 ARG CA C 56.690 0.000 1 457 43 42 ARG HA H 4.276 0.020 1 458 43 42 ARG CB C 30.581 0.107 1 459 43 42 ARG HB2 H 1.870 0.014 1 460 43 42 ARG HB3 H 1.870 0.014 1 461 43 42 ARG CG C 27.276 0.039 1 462 43 42 ARG HG2 H 1.664 0.010 1 463 43 42 ARG HG3 H 1.664 0.010 1 464 43 42 ARG CD C 43.441 0.034 1 465 43 42 ARG HD2 H 3.192 0.006 1 466 43 42 ARG HD3 H 3.192 0.006 1 467 43 42 ARG NE N 120.905 0.028 1 468 43 42 ARG HE H 7.234 0.002 1 469 43 42 ARG C C 177.837 0.000 1 470 44 43 GLN N N 120.212 0.055 1 471 44 43 GLN H H 8.202 0.004 1 472 44 43 GLN CA C 56.067 0.079 1 473 44 43 GLN HA H 4.285 0.011 1 474 44 43 GLN CB C 29.412 0.040 1 475 44 43 GLN HB2 H 2.101 0.005 2 476 44 43 GLN HB3 H 2.003 0.004 2 477 44 43 GLN CG C 34.060 0.153 1 478 44 43 GLN HG2 H 2.385 0.006 1 479 44 43 GLN HG3 H 2.385 0.006 1 480 44 43 GLN NE2 N 112.567 0.077 1 481 44 43 GLN HE21 H 6.876 0.007 2 482 44 43 GLN HE22 H 7.533 0.002 2 483 44 43 GLN C C 177.237 0.000 1 484 45 44 ARG N N 122.115 0.103 1 485 45 44 ARG H H 8.227 0.004 1 486 45 44 ARG CA C 56.585 0.095 1 487 45 44 ARG HA H 4.300 0.008 1 488 45 44 ARG CB C 30.633 0.048 1 489 45 44 ARG HB2 H 1.807 0.010 1 490 45 44 ARG HB3 H 1.807 0.010 1 491 45 44 ARG CG C 27.326 0.057 1 492 45 44 ARG HG2 H 1.647 0.011 1 493 45 44 ARG HG3 H 1.647 0.011 1 494 45 44 ARG CD C 43.398 0.135 1 495 45 44 ARG HD2 H 3.182 0.007 1 496 45 44 ARG HD3 H 3.182 0.007 1 497 45 44 ARG NE N 120.778 0.036 1 498 45 44 ARG HE H 7.202 0.005 1 499 45 44 ARG C C 177.621 0.000 1 500 46 45 VAL N N 121.373 0.030 1 501 46 45 VAL H H 8.139 0.004 1 502 46 45 VAL CA C 62.605 0.044 1 503 46 45 VAL HA H 4.144 0.007 1 504 46 45 VAL CB C 32.915 0.045 1 505 46 45 VAL HB H 2.084 0.010 1 506 46 45 VAL HG1 H 0.952 0.006 1 507 46 45 VAL HG2 H 0.952 0.006 1 508 46 45 VAL CG1 C 20.755 0.127 1 509 46 45 VAL CG2 C 20.779 0.000 1 510 46 45 VAL C C 177.933 0.000 1 511 47 46 THR N N 118.716 0.019 1 512 47 46 THR H H 8.231 0.007 1 513 47 46 THR CA C 62.106 0.102 1 514 47 46 THR HA H 4.319 0.008 1 515 47 46 THR CB C 69.819 0.048 1 516 47 46 THR HB H 4.167 0.009 1 517 47 46 THR HG2 H 1.202 0.006 1 518 47 46 THR CG2 C 21.822 0.061 1 519 47 46 THR C C 175.562 0.000 1 520 48 47 LEU N N 125.300 0.039 1 521 48 47 LEU H H 8.255 0.009 1 522 48 47 LEU CA C 55.362 0.081 1 523 48 47 LEU HA H 4.334 0.008 1 524 48 47 LEU CB C 42.439 0.046 1 525 48 47 LEU HB2 H 1.643 0.004 1 526 48 47 LEU HB3 H 1.643 0.004 1 527 48 47 LEU CG C 26.885 0.119 1 528 48 47 LEU HG H 1.640 0.003 1 529 48 47 LEU HD1 H 0.935 0.008 2 530 48 47 LEU HD2 H 0.883 0.004 2 531 48 47 LEU CD1 C 25.142 0.033 1 532 48 47 LEU CD2 C 23.933 0.040 1 533 49 48 LYS N N 122.687 0.121 1 534 49 48 LYS H H 8.232 0.005 1 535 49 48 LYS CA C 56.448 0.136 1 536 49 48 LYS HA H 4.249 0.004 1 537 49 48 LYS CB C 33.114 0.069 1 538 49 48 LYS HB2 H 1.736 0.008 1 539 49 48 LYS HB3 H 1.736 0.008 1 540 49 48 LYS CG C 24.953 0.061 1 541 49 48 LYS HG2 H 1.412 0.007 1 542 49 48 LYS HG3 H 1.412 0.007 1 543 49 48 LYS CD C 29.222 0.034 1 544 49 48 LYS HD2 H 1.683 0.005 1 545 49 48 LYS HD3 H 1.683 0.005 1 546 49 48 LYS CE C 42.018 0.041 1 547 49 48 LYS HE2 H 2.984 0.005 1 548 49 48 LYS HE3 H 2.984 0.005 1 549 50 49 LYS N N 122.328 0.004 1 550 50 49 LYS H H 8.254 0.006 1 551 50 49 LYS CA C 56.329 0.073 1 552 50 49 LYS HA H 4.275 0.004 1 553 50 49 LYS CB C 33.035 0.087 1 554 50 49 LYS HB2 H 1.781 0.007 1 555 50 49 LYS HB3 H 1.781 0.007 1 556 50 49 LYS CG C 24.966 0.054 1 557 50 49 LYS HG2 H 1.421 0.005 1 558 50 49 LYS HG3 H 1.421 0.005 1 559 50 49 LYS CD C 29.235 0.016 1 560 50 49 LYS HD2 H 1.686 0.005 1 561 50 49 LYS HD3 H 1.686 0.005 1 562 50 49 LYS CE C 42.234 0.007 1 563 50 49 LYS HE2 H 2.991 0.003 1 564 50 49 LYS HE3 H 2.991 0.003 1 565 51 50 ARG N N 122.308 0.148 1 566 51 50 ARG H H 8.250 0.007 1 567 51 50 ARG CA C 56.021 0.103 1 568 51 50 ARG HA H 4.287 0.010 1 569 51 50 ARG CB C 31.080 0.038 1 570 51 50 ARG HB2 H 1.729 0.008 1 571 51 50 ARG HB3 H 1.729 0.008 1 572 51 50 ARG CG C 27.366 0.051 1 573 51 50 ARG HG2 H 1.538 0.011 1 574 51 50 ARG HG3 H 1.538 0.011 1 575 51 50 ARG CD C 43.406 0.012 1 576 51 50 ARG HD2 H 3.149 0.005 1 577 51 50 ARG HD3 H 3.149 0.005 1 578 51 50 ARG C C 177.116 0.000 1 579 52 51 PHE N N 121.259 0.000 1 580 52 51 PHE H H 8.287 0.003 1 581 52 51 PHE CA C 57.688 0.100 1 582 52 51 PHE HA H 4.642 0.012 1 583 52 51 PHE CB C 39.837 0.114 1 584 52 51 PHE HB2 H 3.171 0.017 2 585 52 51 PHE HB3 H 3.017 0.009 2 586 52 51 PHE HD1 H 7.262 0.009 1 587 52 51 PHE HE1 H 7.338 0.005 1 588 52 51 PHE HE2 H 7.338 0.005 1 589 52 51 PHE HD2 H 7.262 0.009 1 590 52 51 PHE C C 177.275 0.000 1 591 53 52 GLY N N 110.476 0.040 1 592 53 52 GLY H H 8.303 0.002 1 593 53 52 GLY CA C 45.284 0.026 1 594 53 52 GLY HA2 H 3.895 0.006 1 595 53 52 GLY HA3 H 3.895 0.006 1 596 53 52 GLY C C 174.779 0.000 1 597 54 53 LEU N N 121.801 0.031 1 598 54 53 LEU H H 8.043 0.004 1 599 54 53 LEU CA C 55.008 0.014 1 600 54 53 LEU HA H 4.371 0.008 1 601 54 53 LEU CB C 42.576 0.021 1 602 54 53 LEU HB2 H 1.567 0.010 1 603 54 53 LEU HB3 H 1.567 0.010 1 604 54 53 LEU CG C 26.945 0.011 1 605 54 53 LEU HG H 1.583 0.004 1 606 54 53 LEU HD1 H 0.922 0.004 2 607 54 53 LEU HD2 H 0.859 0.008 2 608 54 53 LEU CD1 C 24.698 0.048 1 609 54 53 LEU CD2 C 23.730 0.075 1 610 54 53 LEU C C 177.717 0.000 1 611 55 54 VAL N N 123.425 0.061 1 612 55 54 VAL H H 8.231 0.004 1 613 55 54 VAL CA C 59.893 0.084 1 614 55 54 VAL HA H 4.414 0.009 1 615 55 54 VAL CB C 32.763 0.174 1 616 55 54 VAL HB H 2.062 0.010 1 617 55 54 VAL HG1 H 0.944 0.005 1 618 55 54 VAL HG2 H 0.944 0.005 1 619 55 54 VAL CG1 C 20.823 0.145 1 620 55 54 VAL CG2 C 20.501 0.000 1 621 56 55 PRO CD C 51.040 0.099 1 622 56 55 PRO CA C 63.553 0.059 1 623 56 55 PRO HA H 4.398 0.006 1 624 56 55 PRO CB C 32.227 0.119 1 625 56 55 PRO HB2 H 2.306 0.006 2 626 56 55 PRO HB3 H 1.930 0.017 2 627 56 55 PRO CG C 27.659 0.048 1 628 56 55 PRO HG2 H 2.066 0.009 2 629 56 55 PRO HG3 H 1.969 0.013 2 630 56 55 PRO HD2 H 3.884 0.005 2 631 56 55 PRO HD3 H 3.706 0.006 2 632 56 55 PRO C C 178.754 0.000 1 633 57 56 GLY N N 109.350 0.036 1 634 57 56 GLY H H 8.488 0.006 1 635 57 56 GLY CA C 45.322 0.044 1 636 57 56 GLY HA2 H 3.926 0.008 1 637 57 56 GLY HA3 H 3.926 0.008 1 638 57 56 GLY C C 175.324 0.000 1 639 58 57 GLN N N 119.345 0.072 1 640 58 57 GLN H H 8.123 0.007 1 641 58 57 GLN CA C 55.690 0.000 1 642 58 57 GLN HA H 4.256 0.006 1 643 58 57 GLN CB C 29.468 0.097 1 644 58 57 GLN HB2 H 1.983 0.009 2 645 58 57 GLN HB3 H 1.878 0.008 2 646 58 57 GLN CG C 33.881 0.063 1 647 58 57 GLN HG2 H 2.276 0.006 1 648 58 57 GLN HG3 H 2.276 0.006 1 649 58 57 GLN NE2 N 112.257 0.000 1 650 58 57 GLN HE21 H 6.863 0.003 2 651 58 57 GLN HE22 H 7.518 0.010 2 stop_ save_