data_16996 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for human Rad51D from 1 to 83 ; _BMRB_accession_number 16996 _BMRB_flat_file_name bmr16996.str _Entry_type original _Submission_date 2010-06-11 _Accession_date 2010-06-11 _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 Choi Byong-Seok . . 2 Kim 'Young Mee' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 455 "13C chemical shifts" 333 "15N chemical shifts" 80 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-06-01 original author . stop_ _Original_release_date 2011-06-01 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural and functional characterization of the N-terminal domain of human Rad51D.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21111057 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kim 'Young Mee' . . 2 Choi Byong-Seok . . stop_ _Journal_abbreviation 'Int. J. Biochem. Cell Biol.' _Journal_name_full 'The international journal of biochemistry & cell biology' _Journal_volume 43 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 416 _Page_last 422 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'human Rad51D N' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'human Rad51D N' $Rad51D 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_Rad51D _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common human_Rad51D_N _Molecular_mass 9070.740 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 83 _Mol_residue_sequence ; MGVLRVGLCPGLTEEMIQLL RSHRIKTVVDLVSADLEEVA QKCGLSYKALVALRRVLLAQ FSAFPVNGADLYEELKTSTA ILS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 VAL 4 LEU 5 ARG 6 VAL 7 GLY 8 LEU 9 CYS 10 PRO 11 GLY 12 LEU 13 THR 14 GLU 15 GLU 16 MET 17 ILE 18 GLN 19 LEU 20 LEU 21 ARG 22 SER 23 HIS 24 ARG 25 ILE 26 LYS 27 THR 28 VAL 29 VAL 30 ASP 31 LEU 32 VAL 33 SER 34 ALA 35 ASP 36 LEU 37 GLU 38 GLU 39 VAL 40 ALA 41 GLN 42 LYS 43 CYS 44 GLY 45 LEU 46 SER 47 TYR 48 LYS 49 ALA 50 LEU 51 VAL 52 ALA 53 LEU 54 ARG 55 ARG 56 VAL 57 LEU 58 LEU 59 ALA 60 GLN 61 PHE 62 SER 63 ALA 64 PHE 65 PRO 66 VAL 67 ASN 68 GLY 69 ALA 70 ASP 71 LEU 72 TYR 73 GLU 74 GLU 75 LEU 76 LYS 77 THR 78 SER 79 THR 80 ALA 81 ILE 82 LEU 83 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 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 2KZ3 "Backbone 1h, 13c, And 15n Chemical Shift Assignments For Human Rad51d From 1 To 83" 100.00 83 100.00 100.00 5.13e-51 DBJ BAA25914 "Trad [Homo sapiens]" 100.00 328 100.00 100.00 1.12e-48 DBJ BAA31747 "TRAD-d1 [Homo sapiens]" 59.04 49 97.96 100.00 3.60e-25 DBJ BAA31748 "TRAD-d2 [Homo sapiens]" 59.04 49 97.96 100.00 3.60e-25 DBJ BAA33779 "TRAD-d4 [Homo sapiens]" 60.24 95 100.00 100.00 3.69e-25 DBJ BAA33780 "TRAD-d5 [Homo sapiens]" 60.24 68 100.00 100.00 2.69e-25 EMBL CAA75681 "R51H3 [Homo sapiens]" 100.00 328 100.00 100.00 1.19e-48 GB AAC39719 "RAD51D [Homo sapiens]" 60.24 289 98.00 98.00 7.04e-24 GB AAH14422 "RAD51-like 3 (S. cerevisiae) [Homo sapiens]" 100.00 328 100.00 100.00 1.19e-48 GB AAT38112 "RAD51-like 3 (S. cerevisiae) [Homo sapiens]" 100.00 328 100.00 100.00 1.19e-48 GB ABM83244 "RAD51-like 3 (S. cerevisiae) [synthetic construct]" 100.00 328 100.00 100.00 1.19e-48 GB ABM86446 "RAD51-like 3 (S. cerevisiae) [synthetic construct]" 100.00 328 100.00 100.00 1.19e-48 REF NP_002869 "DNA repair protein RAD51 homolog 4 isoform 1 [Homo sapiens]" 100.00 328 100.00 100.00 1.19e-48 REF XP_001174459 "PREDICTED: DNA repair protein RAD51 homolog 4 isoform X2 [Pan troglodytes]" 100.00 328 98.80 100.00 3.49e-48 REF XP_003818041 "PREDICTED: DNA repair protein RAD51 homolog 4 isoform X1 [Pan paniscus]" 100.00 328 98.80 100.00 3.49e-48 REF XP_004041973 "PREDICTED: DNA repair protein RAD51 homolog 4-like, partial [Gorilla gorilla gorilla]" 69.88 90 98.28 98.28 1.75e-29 REF XP_008969520 "PREDICTED: DNA repair protein RAD51 homolog 4 isoform X2 [Pan paniscus]" 100.00 283 98.80 100.00 1.16e-48 SP O75771 "RecName: Full=DNA repair protein RAD51 homolog 4; AltName: Full=R51H3; AltName: Full=RAD51 homolog D; AltName: Full=RAD51-like " 100.00 328 100.00 100.00 1.19e-48 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Rad51D Human 9606 Eukaryota Metazoa Homo sapiens 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 $Rad51D 'recombinant technology' . Escherichia coli . pET-28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'The N-terminal domain of human Rad51D in 25mM Tris-HCl (pH7.5), NaCl 100mM, 1mM DTT and 0.02% Sodium azide' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rad51D 1 mM '[U-100% 15N]' DTT 1 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' Tris-HCl 25 mM 'natural abundance' NaCl 100 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '[1mM]human Rad51D_N in 25mM Tris-HCl (pH7.5) 100mM NaCl,1mM DTT and 0.02% Sodium azide' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rad51D 1 mM '[U-99% 13C; U-99% 15N]' TRIS 25 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '15N sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rad51D 1 mM '[U-99% 15N]' TRIS 25 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' D2O 90 % 'natural abundance' H2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'P.GUNTERT ET AL.' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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_3 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ save_3D_1H-15N_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'Tris buffer pH7.5 100mM NaCl, 1mM DTT and 0.02% Sodium azide' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 7.5 . pH pressure 1 . atm temperature 287 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 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 HCCH-TOCSY' '3D HNCACB' stop_ loop_ _Sample_label $sample_3 $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'human Rad51D N' _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 8.125 0.020 1 2 1 1 MET HA H 4.469 0.020 1 3 1 1 MET HB2 H 2.146 0.020 2 4 1 1 MET HB3 H 2.015 0.020 2 5 1 1 MET HE H 2.045 0.020 1 6 1 1 MET HG2 H 2.578 0.020 2 7 1 1 MET HG3 H 2.394 0.020 2 8 1 1 MET C C 175.630 0.400 1 9 1 1 MET CA C 55.735 0.400 1 10 1 1 MET CB C 32.636 0.400 1 11 1 1 MET CE C 17.306 0.400 1 12 1 1 MET CG C 32.725 0.400 1 13 1 1 MET N N 118.452 0.400 1 14 2 2 GLY H H 8.156 0.020 1 15 2 2 GLY HA2 H 3.984 0.020 2 16 2 2 GLY HA3 H 3.869 0.020 2 17 2 2 GLY C C 176.336 0.400 1 18 2 2 GLY CA C 45.591 0.400 1 19 2 2 GLY N N 108.430 0.400 1 20 3 3 VAL H H 7.911 0.020 1 21 3 3 VAL HA H 4.068 0.020 1 22 3 3 VAL HB H 2.106 0.020 1 23 3 3 VAL HG1 H 1.010 0.020 2 24 3 3 VAL HG2 H 1.018 0.020 2 25 3 3 VAL C C 173.526 0.400 1 26 3 3 VAL CA C 62.624 0.400 1 27 3 3 VAL CB C 33.168 0.400 1 28 3 3 VAL CG1 C 21.813 0.400 1 29 3 3 VAL CG2 C 21.542 0.400 1 30 3 3 VAL N N 119.430 0.400 1 31 4 4 LEU H H 8.187 0.020 1 32 4 4 LEU HA H 3.906 0.020 1 33 4 4 LEU HB2 H 1.850 0.020 2 34 4 4 LEU HB3 H 1.045 0.020 2 35 4 4 LEU HD1 H 0.653 0.020 2 36 4 4 LEU HD2 H 0.695 0.020 2 37 4 4 LEU HG H 1.313 0.020 1 38 4 4 LEU C C 175.936 0.400 1 39 4 4 LEU CA C 56.526 0.400 1 40 4 4 LEU CB C 41.744 0.400 1 41 4 4 LEU CD1 C 23.831 0.400 1 42 4 4 LEU CD2 C 26.596 0.400 1 43 4 4 LEU N N 122.609 0.400 1 44 5 5 ARG H H 6.506 0.020 1 45 5 5 ARG HA H 4.712 0.020 1 46 5 5 ARG HB2 H 1.848 0.020 2 47 5 5 ARG HB3 H 1.737 0.020 2 48 5 5 ARG HD2 H 3.168 0.020 2 49 5 5 ARG HD3 H 3.168 0.020 2 50 5 5 ARG HG2 H 1.673 0.020 2 51 5 5 ARG HG3 H 1.451 0.020 2 52 5 5 ARG C C 175.100 0.400 1 53 5 5 ARG CA C 54.326 0.400 1 54 5 5 ARG CB C 33.184 0.400 1 55 5 5 ARG CD C 43.871 0.400 1 56 5 5 ARG CG C 26.579 0.400 1 57 5 5 ARG N N 117.416 0.400 1 58 6 6 VAL H H 8.754 0.020 1 59 6 6 VAL HA H 3.669 0.020 1 60 6 6 VAL HB H 2.035 0.020 1 61 6 6 VAL HG1 H 1.074 0.020 2 62 6 6 VAL HG2 H 1.042 0.020 2 63 6 6 VAL C C 174.697 0.400 1 64 6 6 VAL CA C 65.082 0.400 1 65 6 6 VAL CB C 31.783 0.400 1 66 6 6 VAL CG1 C 22.704 0.400 1 67 6 6 VAL CG2 C 21.511 0.400 1 68 6 6 VAL N N 122.477 0.400 1 69 7 7 GLY H H 9.048 0.020 1 70 7 7 GLY HA2 H 4.328 0.020 2 71 7 7 GLY HA3 H 3.718 0.020 2 72 7 7 GLY C C 177.176 0.400 1 73 7 7 GLY CA C 45.223 0.400 1 74 7 7 GLY N N 113.923 0.400 1 75 8 8 LEU H H 7.864 0.020 1 76 8 8 LEU HA H 4.149 0.020 1 77 8 8 LEU HB2 H 1.780 0.020 2 78 8 8 LEU HB3 H 1.780 0.020 2 79 8 8 LEU HD1 H 1.078 0.020 2 80 8 8 LEU HD2 H 0.955 0.020 2 81 8 8 LEU HG H 1.737 0.020 1 82 8 8 LEU C C 175.552 0.400 1 83 8 8 LEU CA C 57.881 0.400 1 84 8 8 LEU CB C 44.119 0.400 1 85 8 8 LEU CD1 C 24.620 0.400 1 86 8 8 LEU CG C 23.956 0.400 1 87 8 8 LEU N N 121.311 0.400 1 88 9 9 CYS H H 7.371 0.020 1 89 9 9 CYS HA H 4.998 0.020 1 90 9 9 CYS HB2 H 3.024 0.020 2 91 9 9 CYS HB3 H 2.758 0.020 2 92 9 9 CYS C C 176.386 0.400 1 93 9 9 CYS CA C 54.908 0.400 1 94 9 9 CYS CB C 29.328 0.400 1 95 9 9 CYS N N 109.087 0.400 1 96 10 10 PRO HA H 4.405 0.020 1 97 10 10 PRO HB2 H 2.383 0.020 2 98 10 10 PRO HB3 H 1.888 0.020 2 99 10 10 PRO HD2 H 3.862 0.020 2 100 10 10 PRO HD3 H 3.611 0.020 2 101 10 10 PRO HG2 H 2.132 0.020 2 102 10 10 PRO HG3 H 1.980 0.020 2 103 10 10 PRO CA C 64.391 0.400 1 104 10 10 PRO CB C 32.165 0.400 1 105 10 10 PRO CD C 51.538 0.400 1 106 11 11 GLY H H 8.721 0.020 1 107 11 11 GLY HA2 H 4.145 0.020 2 108 11 11 GLY HA3 H 3.749 0.020 2 109 11 11 GLY C C 177.408 0.400 1 110 11 11 GLY CA C 45.396 0.400 1 111 11 11 GLY N N 109.097 0.400 1 112 12 12 LEU H H 7.226 0.020 1 113 12 12 LEU HA H 4.747 0.020 1 114 12 12 LEU HB2 H 1.919 0.020 2 115 12 12 LEU HB3 H 1.541 0.020 2 116 12 12 LEU HD1 H 0.918 0.020 2 117 12 12 LEU HD2 H 0.930 0.020 2 118 12 12 LEU C C 173.841 0.400 1 119 12 12 LEU CA C 54.306 0.400 1 120 12 12 LEU CB C 42.193 0.400 1 121 12 12 LEU CD1 C 25.854 0.400 1 122 12 12 LEU CG C 25.696 0.400 1 123 12 12 LEU N N 120.452 0.400 1 124 13 13 THR H H 7.231 0.020 1 125 13 13 THR HA H 4.637 0.020 1 126 13 13 THR HB H 4.796 0.020 1 127 13 13 THR HG2 H 1.316 0.020 1 128 13 13 THR C C 175.576 0.400 1 129 13 13 THR CA C 59.987 0.400 1 130 13 13 THR CB C 71.961 0.400 1 131 13 13 THR CG2 C 21.983 0.400 1 132 13 13 THR N N 115.449 0.400 1 133 14 14 GLU H H 9.246 0.020 1 134 14 14 GLU HA H 3.961 0.020 1 135 14 14 GLU HB2 H 2.132 0.020 2 136 14 14 GLU HB3 H 2.013 0.020 2 137 14 14 GLU HG2 H 2.342 0.020 2 138 14 14 GLU HG3 H 2.342 0.020 2 139 14 14 GLU C C 174.746 0.400 1 140 14 14 GLU CA C 60.191 0.400 1 141 14 14 GLU CB C 29.665 0.400 1 142 14 14 GLU CG C 36.213 0.400 1 143 14 14 GLU N N 122.164 0.400 1 144 15 15 GLU H H 8.827 0.020 1 145 15 15 GLU HA H 4.046 0.020 1 146 15 15 GLU HB2 H 2.120 0.020 2 147 15 15 GLU HB3 H 1.961 0.020 2 148 15 15 GLU HG2 H 2.354 0.020 2 149 15 15 GLU HG3 H 2.329 0.020 2 150 15 15 GLU C C 178.568 0.400 1 151 15 15 GLU CA C 60.296 0.400 1 152 15 15 GLU CB C 29.558 0.400 1 153 15 15 GLU CG C 36.819 0.400 1 154 15 15 GLU N N 118.451 0.400 1 155 16 16 MET H H 7.703 0.020 1 156 16 16 MET HA H 4.050 0.020 1 157 16 16 MET HB2 H 2.384 0.020 2 158 16 16 MET HB3 H 2.052 0.020 2 159 16 16 MET HE H 2.124 0.020 1 160 16 16 MET HG2 H 2.628 0.020 2 161 16 16 MET HG3 H 2.443 0.020 2 162 16 16 MET C C 179.109 0.400 1 163 16 16 MET CA C 59.365 0.400 1 164 16 16 MET CB C 34.207 0.400 1 165 16 16 MET CE C 17.259 0.400 1 166 16 16 MET CG C 32.271 0.400 1 167 16 16 MET N N 118.945 0.400 1 168 17 17 ILE H H 8.312 0.020 1 169 17 17 ILE HA H 3.518 0.020 1 170 17 17 ILE HB H 2.073 0.020 1 171 17 17 ILE HD1 H 0.619 0.020 1 172 17 17 ILE HG12 H 1.636 0.020 2 173 17 17 ILE HG13 H 0.940 0.020 2 174 17 17 ILE HG2 H 0.888 0.020 1 175 17 17 ILE C C 177.896 0.400 1 176 17 17 ILE CA C 65.237 0.400 1 177 17 17 ILE CB C 37.368 0.400 1 178 17 17 ILE CD1 C 13.405 0.400 1 179 17 17 ILE CG2 C 17.454 0.400 1 180 17 17 ILE N N 118.967 0.400 1 181 18 18 GLN H H 8.297 0.020 1 182 18 18 GLN HA H 4.028 0.020 1 183 18 18 GLN HB2 H 2.212 0.020 2 184 18 18 GLN HB3 H 2.212 0.020 2 185 18 18 GLN HG2 H 2.589 0.020 2 186 18 18 GLN HG3 H 2.540 0.020 2 187 18 18 GLN C C 178.525 0.400 1 188 18 18 GLN CA C 59.403 0.400 1 189 18 18 GLN CB C 28.188 0.400 1 190 18 18 GLN CG C 33.669 0.400 1 191 18 18 GLN N N 119.091 0.400 1 192 19 19 LEU H H 7.903 0.020 1 193 19 19 LEU HA H 4.236 0.020 1 194 19 19 LEU HB2 H 2.002 0.020 2 195 19 19 LEU HB3 H 1.625 0.020 2 196 19 19 LEU HD1 H 1.050 0.020 2 197 19 19 LEU HD2 H 0.732 0.020 2 198 19 19 LEU HG H 1.839 0.020 1 199 19 19 LEU C C 179.118 0.400 1 200 19 19 LEU CA C 58.428 0.400 1 201 19 19 LEU CB C 42.824 0.400 1 202 19 19 LEU CD1 C 24.030 0.400 1 203 19 19 LEU CG C 23.963 0.400 1 204 19 19 LEU N N 121.777 0.400 1 205 20 20 LEU H H 8.631 0.020 1 206 20 20 LEU HA H 4.017 0.020 1 207 20 20 LEU HB2 H 1.925 0.020 2 208 20 20 LEU HB3 H 1.591 0.020 2 209 20 20 LEU HD1 H 0.638 0.020 2 210 20 20 LEU HD2 H 0.700 0.020 2 211 20 20 LEU HG H 1.856 0.020 1 212 20 20 LEU C C 180.131 0.400 1 213 20 20 LEU CA C 58.933 0.400 1 214 20 20 LEU CB C 40.233 0.400 1 215 20 20 LEU CD1 C 26.288 0.400 1 216 20 20 LEU CD2 C 22.853 0.400 1 217 20 20 LEU CG C 26.106 0.400 1 218 20 20 LEU N N 120.204 0.400 1 219 21 21 ARG H H 8.660 0.020 1 220 21 21 ARG HA H 3.784 0.020 1 221 21 21 ARG HB2 H 2.058 0.020 2 222 21 21 ARG HB3 H 1.986 0.020 2 223 21 21 ARG HD2 H 3.247 0.020 2 224 21 21 ARG HD3 H 3.247 0.020 2 225 21 21 ARG HG2 H 1.823 0.020 2 226 21 21 ARG HG3 H 1.706 0.020 2 227 21 21 ARG C C 180.009 0.400 1 228 21 21 ARG CA C 60.333 0.400 1 229 21 21 ARG CB C 30.515 0.400 1 230 21 21 ARG CD C 44.092 0.400 1 231 21 21 ARG N N 120.681 0.400 1 232 22 22 SER H H 7.975 0.020 1 233 22 22 SER HA H 4.320 0.020 1 234 22 22 SER HB2 H 4.084 0.020 2 235 22 22 SER HB3 H 3.983 0.020 2 236 22 22 SER C C 172.132 0.400 1 237 22 22 SER CA C 61.490 0.400 1 238 22 22 SER CB C 63.190 0.400 1 239 22 22 SER N N 116.949 0.400 1 240 23 23 HIS H H 7.565 0.020 1 241 23 23 HIS HA H 4.691 0.020 1 242 23 23 HIS HB2 H 3.402 0.020 2 243 23 23 HIS HB3 H 2.651 0.020 2 244 23 23 HIS C C 174.202 0.400 1 245 23 23 HIS CA C 56.421 0.400 1 246 23 23 HIS CB C 30.548 0.400 1 247 23 23 HIS N N 121.254 0.400 1 248 24 24 ARG H H 7.781 0.020 1 249 24 24 ARG HA H 3.662 0.020 1 250 24 24 ARG HB2 H 2.194 0.020 2 251 24 24 ARG HB3 H 2.086 0.020 2 252 24 24 ARG HD2 H 3.249 0.020 2 253 24 24 ARG HD3 H 3.238 0.020 2 254 24 24 ARG HG2 H 1.584 0.020 2 255 24 24 ARG HG3 H 1.553 0.020 2 256 24 24 ARG C C 173.331 0.400 1 257 24 24 ARG CA C 58.294 0.400 1 258 24 24 ARG CB C 26.756 0.400 1 259 24 24 ARG CD C 43.849 0.400 1 260 24 24 ARG CG C 28.203 0.400 1 261 24 24 ARG N N 109.964 0.400 1 262 25 25 ILE H H 8.137 0.020 1 263 25 25 ILE HA H 4.158 0.020 1 264 25 25 ILE HB H 1.872 0.020 1 265 25 25 ILE HD1 H 0.779 0.020 1 266 25 25 ILE HG12 H 1.009 0.020 2 267 25 25 ILE HG13 H 1.493 0.020 2 268 25 25 ILE HG2 H 0.735 0.020 1 269 25 25 ILE C C 174.782 0.400 1 270 25 25 ILE CA C 60.757 0.400 1 271 25 25 ILE CB C 36.764 0.400 1 272 25 25 ILE CD1 C 13.982 0.400 1 273 25 25 ILE CG1 C 27.156 0.400 1 274 25 25 ILE CG2 C 17.714 0.400 1 275 25 25 ILE N N 122.460 0.400 1 276 26 26 LYS H H 9.215 0.020 1 277 26 26 LYS HA H 4.601 0.020 1 278 26 26 LYS HB2 H 1.933 0.020 2 279 26 26 LYS HB3 H 1.868 0.020 2 280 26 26 LYS HD2 H 1.737 0.020 2 281 26 26 LYS HD3 H 1.737 0.020 2 282 26 26 LYS HE2 H 2.940 0.020 2 283 26 26 LYS HE3 H 2.940 0.020 2 284 26 26 LYS HG2 H 1.333 0.020 2 285 26 26 LYS HG3 H 1.333 0.020 2 286 26 26 LYS C C 173.115 0.400 1 287 26 26 LYS CA C 57.203 0.400 1 288 26 26 LYS CB C 36.428 0.400 1 289 26 26 LYS CD C 29.421 0.400 1 290 26 26 LYS CE C 42.309 0.400 1 291 26 26 LYS CG C 26.191 0.400 1 292 26 26 LYS N N 124.327 0.400 1 293 27 27 THR H H 8.363 0.020 1 294 27 27 THR HA H 5.061 0.020 1 295 27 27 THR HB H 4.556 0.020 1 296 27 27 THR HG2 H 1.145 0.020 1 297 27 27 THR C C 177.026 0.400 1 298 27 27 THR CA C 59.488 0.400 1 299 27 27 THR CB C 73.212 0.400 1 300 27 27 THR CG2 C 21.875 0.400 1 301 27 27 THR N N 110.461 0.400 1 302 28 28 VAL H H 8.502 0.020 1 303 28 28 VAL HA H 3.425 0.020 1 304 28 28 VAL HB H 2.070 0.020 1 305 28 28 VAL HG1 H 0.833 0.020 2 306 28 28 VAL HG2 H 0.842 0.020 2 307 28 28 VAL C C 174.868 0.400 1 308 28 28 VAL CA C 67.727 0.400 1 309 28 28 VAL CB C 31.801 0.400 1 310 28 28 VAL CG1 C 22.232 0.400 1 311 28 28 VAL CG2 C 23.489 0.400 1 312 28 28 VAL N N 119.348 0.400 1 313 29 29 VAL H H 7.988 0.020 1 314 29 29 VAL HA H 3.720 0.020 1 315 29 29 VAL HB H 1.989 0.020 1 316 29 29 VAL HG1 H 0.996 0.020 2 317 29 29 VAL HG2 H 0.927 0.020 2 318 29 29 VAL C C 177.858 0.400 1 319 29 29 VAL CA C 66.280 0.400 1 320 29 29 VAL CB C 31.746 0.400 1 321 29 29 VAL CG1 C 23.399 0.400 1 322 29 29 VAL CG2 C 21.014 0.400 1 323 29 29 VAL N N 117.724 0.400 1 324 30 30 ASP H H 7.859 0.020 1 325 30 30 ASP HA H 4.294 0.020 1 326 30 30 ASP HB2 H 2.761 0.020 2 327 30 30 ASP HB3 H 3.188 0.020 2 328 30 30 ASP C C 176.388 0.400 1 329 30 30 ASP CA C 57.442 0.400 1 330 30 30 ASP CB C 42.283 0.400 1 331 30 30 ASP N N 122.212 0.400 1 332 31 31 LEU H H 7.605 0.020 1 333 31 31 LEU HA H 4.058 0.020 1 334 31 31 LEU HB2 H 1.464 0.020 2 335 31 31 LEU HB3 H 2.010 0.020 2 336 31 31 LEU HD1 H 0.874 0.020 2 337 31 31 LEU HD2 H 0.836 0.020 2 338 31 31 LEU C C 177.872 0.400 1 339 31 31 LEU CA C 58.079 0.400 1 340 31 31 LEU CB C 42.223 0.400 1 341 31 31 LEU CD2 C 26.622 0.400 1 342 31 31 LEU CG C 24.101 0.400 1 343 31 31 LEU N N 118.950 0.400 1 344 32 32 VAL H H 8.493 0.020 1 345 32 32 VAL HA H 3.742 0.020 1 346 32 32 VAL HB H 2.289 0.020 1 347 32 32 VAL HG1 H 1.062 0.020 2 348 32 32 VAL HG2 H 1.029 0.020 2 349 32 32 VAL C C 178.474 0.400 1 350 32 32 VAL CA C 65.611 0.400 1 351 32 32 VAL CB C 31.923 0.400 1 352 32 32 VAL CG1 C 21.957 0.400 1 353 32 32 VAL CG2 C 22.256 0.400 1 354 32 32 VAL N N 112.941 0.400 1 355 33 33 SER H H 7.718 0.020 1 356 33 33 SER HA H 4.608 0.020 1 357 33 33 SER HB2 H 3.997 0.020 2 358 33 33 SER HB3 H 3.953 0.020 2 359 33 33 SER C C 177.049 0.400 1 360 33 33 SER CA C 58.830 0.400 1 361 33 33 SER CB C 64.500 0.400 1 362 33 33 SER N N 113.131 0.400 1 363 34 34 ALA H H 7.091 0.020 1 364 34 34 ALA HA H 4.260 0.020 1 365 34 34 ALA HB H 1.502 0.020 1 366 34 34 ALA C C 173.643 0.400 1 367 34 34 ALA CA C 52.458 0.400 1 368 34 34 ALA CB C 20.343 0.400 1 369 34 34 ALA N N 124.240 0.400 1 370 35 35 ASP H H 8.606 0.020 1 371 35 35 ASP HA H 4.806 0.020 1 372 35 35 ASP HB2 H 3.107 0.020 2 373 35 35 ASP HB3 H 2.668 0.020 2 374 35 35 ASP C C 176.529 0.400 1 375 35 35 ASP CA C 53.267 0.400 1 376 35 35 ASP CB C 40.094 0.400 1 377 35 35 ASP N N 119.338 0.400 1 378 36 36 LEU H H 8.643 0.020 1 379 36 36 LEU HA H 4.046 0.020 1 380 36 36 LEU HB2 H 2.042 0.020 2 381 36 36 LEU HB3 H 1.512 0.020 2 382 36 36 LEU HD1 H 0.822 0.020 2 383 36 36 LEU HD2 H 0.847 0.020 2 384 36 36 LEU C C 176.767 0.400 1 385 36 36 LEU CA C 57.863 0.400 1 386 36 36 LEU CB C 41.317 0.400 1 387 36 36 LEU CD1 C 26.476 0.400 1 388 36 36 LEU CD2 C 22.307 0.400 1 389 36 36 LEU CG C 26.060 0.400 1 390 36 36 LEU N N 124.708 0.400 1 391 37 37 GLU H H 8.352 0.020 1 392 37 37 GLU HA H 3.950 0.020 1 393 37 37 GLU HB2 H 1.982 0.020 2 394 37 37 GLU HB3 H 1.982 0.020 2 395 37 37 GLU HG2 H 2.023 0.020 2 396 37 37 GLU HG3 H 1.828 0.020 2 397 37 37 GLU C C 178.915 0.400 1 398 37 37 GLU CA C 60.413 0.400 1 399 37 37 GLU CB C 29.632 0.400 1 400 37 37 GLU CG C 37.249 0.400 1 401 37 37 GLU N N 120.047 0.400 1 402 38 38 GLU H H 7.387 0.020 1 403 38 38 GLU HA H 4.089 0.020 1 404 38 38 GLU HB2 H 2.256 0.020 2 405 38 38 GLU HB3 H 2.065 0.020 2 406 38 38 GLU HG2 H 2.369 0.020 2 407 38 38 GLU HG3 H 2.174 0.020 2 408 38 38 GLU C C 178.923 0.400 1 409 38 38 GLU CA C 59.317 0.400 1 410 38 38 GLU CB C 29.771 0.400 1 411 38 38 GLU CG C 36.708 0.400 1 412 38 38 GLU N N 121.398 0.400 1 413 39 39 VAL H H 8.251 0.020 1 414 39 39 VAL HA H 3.321 0.020 1 415 39 39 VAL HB H 1.943 0.020 1 416 39 39 VAL HG1 H 1.044 0.020 2 417 39 39 VAL HG2 H 0.731 0.020 2 418 39 39 VAL C C 178.824 0.400 1 419 39 39 VAL CA C 67.050 0.400 1 420 39 39 VAL CB C 32.312 0.400 1 421 39 39 VAL CG1 C 23.913 0.400 1 422 39 39 VAL CG2 C 22.872 0.400 1 423 39 39 VAL N N 118.757 0.400 1 424 40 40 ALA H H 8.399 0.020 1 425 40 40 ALA HA H 3.812 0.020 1 426 40 40 ALA HB H 1.667 0.020 1 427 40 40 ALA C C 177.849 0.400 1 428 40 40 ALA CA C 56.565 0.400 1 429 40 40 ALA CB C 18.109 0.400 1 430 40 40 ALA N N 121.279 0.400 1 431 41 41 GLN H H 7.525 0.020 1 432 41 41 GLN HA H 4.089 0.020 1 433 41 41 GLN HB2 H 2.254 0.020 2 434 41 41 GLN HB3 H 2.215 0.020 2 435 41 41 GLN HE21 H 7.638 0.020 2 436 41 41 GLN HE22 H 6.927 0.020 2 437 41 41 GLN HG2 H 2.552 0.020 2 438 41 41 GLN HG3 H 2.435 0.020 2 439 41 41 GLN C C 179.813 0.400 1 440 41 41 GLN CA C 58.933 0.400 1 441 41 41 GLN CB C 28.755 0.400 1 442 41 41 GLN CG C 33.972 0.400 1 443 41 41 GLN N N 115.483 0.400 1 444 41 41 GLN NE2 N 112.956 0.400 1 445 42 42 LYS H H 8.344 0.020 1 446 42 42 LYS HA H 4.097 0.020 1 447 42 42 LYS HB2 H 1.762 0.020 2 448 42 42 LYS HB3 H 1.617 0.020 2 449 42 42 LYS HD2 H 1.717 0.020 2 450 42 42 LYS HD3 H 1.641 0.020 2 451 42 42 LYS HE2 H 2.993 0.020 2 452 42 42 LYS HE3 H 2.993 0.020 2 453 42 42 LYS HG2 H 1.574 0.020 2 454 42 42 LYS HG3 H 1.498 0.020 2 455 42 42 LYS C C 179.055 0.400 1 456 42 42 LYS CA C 58.882 0.400 1 457 42 42 LYS CB C 33.111 0.400 1 458 42 42 LYS CD C 29.121 0.400 1 459 42 42 LYS CG C 25.580 0.400 1 460 42 42 LYS N N 118.017 0.400 1 461 43 43 CYS H H 8.090 0.020 1 462 43 43 CYS HA H 4.374 0.020 1 463 43 43 CYS HB2 H 2.750 0.020 2 464 43 43 CYS HB3 H 2.708 0.020 2 465 43 43 CYS C C 178.581 0.400 1 466 43 43 CYS CA C 59.887 0.400 1 467 43 43 CYS CB C 29.487 0.400 1 468 43 43 CYS N N 112.037 0.400 1 469 44 44 GLY H H 7.743 0.020 1 470 44 44 GLY HA2 H 3.999 0.020 2 471 44 44 GLY HA3 H 3.957 0.020 2 472 44 44 GLY C C 174.565 0.400 1 473 44 44 GLY CA C 46.964 0.400 1 474 44 44 GLY N N 109.562 0.400 1 475 45 45 LEU H H 7.654 0.020 1 476 45 45 LEU HA H 4.609 0.020 1 477 45 45 LEU HB2 H 1.478 0.020 2 478 45 45 LEU HB3 H 1.373 0.020 2 479 45 45 LEU HD1 H 0.934 0.020 2 480 45 45 LEU HD2 H 0.821 0.020 2 481 45 45 LEU HG H 1.464 0.020 1 482 45 45 LEU C C 174.674 0.400 1 483 45 45 LEU CA C 52.976 0.400 1 484 45 45 LEU CB C 46.088 0.400 1 485 45 45 LEU CD1 C 23.975 0.400 1 486 45 45 LEU CG C 26.668 0.400 1 487 45 45 LEU N N 118.790 0.400 1 488 46 46 SER H H 8.351 0.020 1 489 46 46 SER HA H 4.520 0.020 1 490 46 46 SER HB2 H 4.137 0.020 2 491 46 46 SER HB3 H 3.922 0.020 2 492 46 46 SER C C 175.491 0.400 1 493 46 46 SER CA C 57.135 0.400 1 494 46 46 SER CB C 63.564 0.400 1 495 46 46 SER N N 113.824 0.400 1 496 47 47 TYR H H 8.995 0.020 1 497 47 47 TYR HA H 4.063 0.020 1 498 47 47 TYR HB2 H 3.212 0.020 2 499 47 47 TYR HB3 H 2.979 0.020 2 500 47 47 TYR HD1 H 6.919 0.020 1 501 47 47 TYR HD2 H 6.919 0.020 1 502 47 47 TYR HE1 H 6.733 0.020 1 503 47 47 TYR HE2 H 6.733 0.020 1 504 47 47 TYR C C 175.710 0.400 1 505 47 47 TYR CA C 61.995 0.400 1 506 47 47 TYR CB C 38.701 0.400 1 507 47 47 TYR CD1 C 132.875 0.400 1 508 47 47 TYR CE1 C 118.952 0.400 1 509 47 47 TYR N N 129.535 0.400 1 510 48 48 LYS H H 8.328 0.020 1 511 48 48 LYS HA H 3.679 0.020 1 512 48 48 LYS HB2 H 1.799 0.020 2 513 48 48 LYS HB3 H 1.799 0.020 2 514 48 48 LYS HD2 H 1.738 0.020 2 515 48 48 LYS HD3 H 1.738 0.020 2 516 48 48 LYS HE2 H 3.056 0.020 2 517 48 48 LYS HE3 H 3.056 0.020 2 518 48 48 LYS HG2 H 1.627 0.020 2 519 48 48 LYS HG3 H 1.459 0.020 2 520 48 48 LYS C C 176.638 0.400 1 521 48 48 LYS CA C 59.983 0.400 1 522 48 48 LYS CB C 32.435 0.400 1 523 48 48 LYS CD C 29.481 0.400 1 524 48 48 LYS CE C 42.446 0.400 1 525 48 48 LYS CG C 25.877 0.400 1 526 48 48 LYS N N 116.751 0.400 1 527 49 49 ALA H H 7.591 0.020 1 528 49 49 ALA HA H 4.187 0.020 1 529 49 49 ALA HB H 1.542 0.020 1 530 49 49 ALA C C 179.341 0.400 1 531 49 49 ALA CA C 54.846 0.400 1 532 49 49 ALA CB C 18.508 0.400 1 533 49 49 ALA N N 121.789 0.400 1 534 50 50 LEU H H 7.878 0.020 1 535 50 50 LEU HA H 4.058 0.020 1 536 50 50 LEU HB2 H 2.032 0.020 2 537 50 50 LEU HB3 H 1.453 0.020 2 538 50 50 LEU HD1 H 0.855 0.020 2 539 50 50 LEU HD2 H 0.820 0.020 2 540 50 50 LEU C C 172.247 0.400 1 541 50 50 LEU CA C 57.853 0.400 1 542 50 50 LEU CB C 42.202 0.400 1 543 50 50 LEU CD1 C 23.228 0.400 1 544 50 50 LEU CD2 C 26.674 0.400 1 545 50 50 LEU CG C 30.821 0.400 1 546 50 50 LEU N N 119.718 0.400 1 547 51 51 VAL H H 8.326 0.020 1 548 51 51 VAL HA H 3.310 0.020 1 549 51 51 VAL HB H 1.789 0.020 1 550 51 51 VAL HG1 H 0.833 0.020 2 551 51 51 VAL HG2 H 0.474 0.020 2 552 51 51 VAL C C 178.189 0.400 1 553 51 51 VAL CA C 66.747 0.400 1 554 51 51 VAL CB C 31.957 0.400 1 555 51 51 VAL CG1 C 21.365 0.400 1 556 51 51 VAL CG2 C 23.050 0.400 1 557 51 51 VAL N N 120.481 0.400 1 558 52 52 ALA H H 7.551 0.020 1 559 52 52 ALA HA H 4.099 0.020 1 560 52 52 ALA HB H 1.498 0.020 1 561 52 52 ALA C C 178.882 0.400 1 562 52 52 ALA CA C 55.380 0.400 1 563 52 52 ALA CB C 18.271 0.400 1 564 52 52 ALA N N 122.169 0.400 1 565 53 53 LEU H H 7.806 0.020 1 566 53 53 LEU HA H 4.168 0.020 1 567 53 53 LEU HB2 H 1.794 0.020 2 568 53 53 LEU HB3 H 1.762 0.020 2 569 53 53 LEU HD1 H 0.844 0.020 2 570 53 53 LEU HD2 H 0.812 0.020 2 571 53 53 LEU HG H 1.659 0.020 1 572 53 53 LEU C C 179.707 0.400 1 573 53 53 LEU CA C 57.887 0.400 1 574 53 53 LEU CB C 42.406 0.400 1 575 53 53 LEU CD2 C 25.913 0.400 1 576 53 53 LEU CG C 25.445 0.400 1 577 53 53 LEU N N 119.682 0.400 1 578 54 54 ARG H H 8.365 0.020 1 579 54 54 ARG HA H 3.750 0.020 1 580 54 54 ARG HB2 H 2.185 0.020 2 581 54 54 ARG HB3 H 1.611 0.020 2 582 54 54 ARG HD2 H 3.401 0.020 2 583 54 54 ARG HD3 H 3.263 0.020 2 584 54 54 ARG HG2 H 1.771 0.020 2 585 54 54 ARG HG3 H 1.521 0.020 2 586 54 54 ARG C C 178.060 0.400 1 587 54 54 ARG CA C 60.646 0.400 1 588 54 54 ARG CB C 30.395 0.400 1 589 54 54 ARG CD C 44.560 0.400 1 590 54 54 ARG CG C 27.928 0.400 1 591 54 54 ARG N N 118.460 0.400 1 592 55 55 ARG H H 7.857 0.020 1 593 55 55 ARG HA H 3.987 0.020 1 594 55 55 ARG HB2 H 2.043 0.020 2 595 55 55 ARG HB3 H 2.004 0.020 2 596 55 55 ARG HD2 H 3.243 0.020 2 597 55 55 ARG HD3 H 3.243 0.020 2 598 55 55 ARG HG2 H 1.829 0.020 2 599 55 55 ARG HG3 H 1.648 0.020 2 600 55 55 ARG C C 176.797 0.400 1 601 55 55 ARG CA C 60.300 0.400 1 602 55 55 ARG CB C 30.402 0.400 1 603 55 55 ARG CD C 43.775 0.400 1 604 55 55 ARG CG C 27.805 0.400 1 605 55 55 ARG N N 117.174 0.400 1 606 56 56 VAL H H 7.978 0.020 1 607 56 56 VAL HA H 3.861 0.020 1 608 56 56 VAL HB H 2.318 0.020 1 609 56 56 VAL HG1 H 1.174 0.020 2 610 56 56 VAL HG2 H 1.110 0.020 2 611 56 56 VAL C C 179.460 0.400 1 612 56 56 VAL CA C 66.274 0.400 1 613 56 56 VAL CB C 32.131 0.400 1 614 56 56 VAL CG1 C 23.098 0.400 1 615 56 56 VAL CG2 C 22.624 0.400 1 616 56 56 VAL N N 119.577 0.400 1 617 57 57 LEU H H 8.435 0.020 1 618 57 57 LEU HA H 4.127 0.020 1 619 57 57 LEU HB2 H 1.964 0.020 2 620 57 57 LEU HB3 H 1.400 0.020 2 621 57 57 LEU HD1 H 0.911 0.020 2 622 57 57 LEU HD2 H 0.829 0.020 2 623 57 57 LEU C C 178.800 0.400 1 624 57 57 LEU CA C 58.359 0.400 1 625 57 57 LEU CB C 42.151 0.400 1 626 57 57 LEU CD1 C 24.455 0.400 1 627 57 57 LEU CG C 24.056 0.400 1 628 57 57 LEU N N 121.162 0.400 1 629 58 58 LEU H H 8.470 0.020 1 630 58 58 LEU HA H 4.113 0.020 1 631 58 58 LEU HB2 H 1.927 0.020 2 632 58 58 LEU HB3 H 1.534 0.020 2 633 58 58 LEU HD1 H 0.919 0.020 2 634 58 58 LEU HD2 H 0.874 0.020 2 635 58 58 LEU C C 179.435 0.400 1 636 58 58 LEU CA C 57.889 0.400 1 637 58 58 LEU CB C 42.098 0.400 1 638 58 58 LEU CD1 C 25.756 0.400 1 639 58 58 LEU CG C 25.697 0.400 1 640 58 58 LEU N N 118.213 0.400 1 641 59 59 ALA H H 7.704 0.020 1 642 59 59 ALA HA H 4.246 0.020 1 643 59 59 ALA HB H 1.566 0.020 1 644 59 59 ALA C C 179.580 0.400 1 645 59 59 ALA CA C 54.700 0.400 1 646 59 59 ALA CB C 18.518 0.400 1 647 59 59 ALA N N 120.548 0.400 1 648 60 60 GLN H H 7.941 0.020 1 649 60 60 GLN HA H 4.142 0.020 1 650 60 60 GLN HB2 H 2.324 0.020 2 651 60 60 GLN HB3 H 1.913 0.020 2 652 60 60 GLN HG2 H 2.157 0.020 2 653 60 60 GLN HG3 H 2.051 0.020 2 654 60 60 GLN C C 179.716 0.400 1 655 60 60 GLN CA C 57.775 0.400 1 656 60 60 GLN CB C 29.393 0.400 1 657 60 60 GLN CG C 34.060 0.400 1 658 60 60 GLN N N 116.584 0.400 1 659 61 61 PHE H H 7.896 0.020 1 660 61 61 PHE HA H 4.699 0.020 1 661 61 61 PHE HB2 H 3.328 0.020 2 662 61 61 PHE HB3 H 2.986 0.020 2 663 61 61 PHE HD1 H 7.409 0.020 1 664 61 61 PHE HD2 H 7.409 0.020 1 665 61 61 PHE C C 177.188 0.400 1 666 61 61 PHE CA C 58.497 0.400 1 667 61 61 PHE CB C 39.798 0.400 1 668 61 61 PHE CD1 C 132.060 0.400 1 669 61 61 PHE N N 116.985 0.400 1 670 62 62 SER H H 7.874 0.020 1 671 62 62 SER HA H 4.431 0.020 1 672 62 62 SER HB2 H 3.957 0.020 2 673 62 62 SER HB3 H 3.957 0.020 2 674 62 62 SER C C 175.774 0.400 1 675 62 62 SER CA C 59.373 0.400 1 676 62 62 SER CB C 63.957 0.400 1 677 62 62 SER N N 115.098 0.400 1 678 63 63 ALA H H 7.990 0.020 1 679 63 63 ALA HA H 4.321 0.020 1 680 63 63 ALA HB H 1.282 0.020 1 681 63 63 ALA C C 174.135 0.400 1 682 63 63 ALA CA C 52.703 0.400 1 683 63 63 ALA CB C 19.636 0.400 1 684 63 63 ALA N N 124.119 0.400 1 685 64 64 PHE H H 7.931 0.020 1 686 64 64 PHE HA H 4.862 0.020 1 687 64 64 PHE HB2 H 3.164 0.020 2 688 64 64 PHE HB3 H 2.966 0.020 2 689 64 64 PHE HD1 H 7.308 0.020 1 690 64 64 PHE HD2 H 7.308 0.020 1 691 64 64 PHE HE1 H 7.284 0.020 1 692 64 64 PHE HE2 H 7.284 0.020 1 693 64 64 PHE C C 176.736 0.400 1 694 64 64 PHE CA C 55.939 0.400 1 695 64 64 PHE CB C 39.460 0.400 1 696 64 64 PHE CD1 C 132.079 0.400 1 697 64 64 PHE CE1 C 130.000 0.400 1 698 64 64 PHE N N 119.501 0.400 1 699 65 65 PRO HA H 4.517 0.020 1 700 65 65 PRO HB2 H 2.256 0.020 2 701 65 65 PRO HB3 H 1.953 0.020 2 702 65 65 PRO HD2 H 3.772 0.020 2 703 65 65 PRO HD3 H 3.517 0.020 2 704 65 65 PRO HG2 H 2.018 0.020 2 705 65 65 PRO HG3 H 1.994 0.020 2 706 65 65 PRO CA C 63.369 0.400 1 707 65 65 PRO CB C 32.210 0.400 1 708 65 65 PRO CD C 51.095 0.400 1 709 65 65 PRO CG C 27.691 0.400 1 710 66 66 VAL H H 8.228 0.020 1 711 66 66 VAL HA H 4.148 0.020 1 712 66 66 VAL HB H 2.117 0.020 1 713 66 66 VAL HG1 H 0.984 0.020 2 714 66 66 VAL C C 176.879 0.400 1 715 66 66 VAL CA C 62.740 0.400 1 716 66 66 VAL CB C 33.082 0.400 1 717 66 66 VAL CG1 C 21.607 0.400 1 718 66 66 VAL N N 120.262 0.400 1 719 67 67 ASN H H 8.484 0.020 1 720 67 67 ASN HA H 4.780 0.020 1 721 67 67 ASN HB2 H 2.876 0.020 2 722 67 67 ASN HB3 H 2.819 0.020 2 723 67 67 ASN C C 176.429 0.400 1 724 67 67 ASN CA C 53.535 0.400 1 725 67 67 ASN CB C 39.342 0.400 1 726 67 67 ASN N N 121.655 0.400 1 727 68 68 GLY H H 8.403 0.020 1 728 68 68 GLY HA2 H 3.969 0.020 2 729 68 68 GLY HA3 H 3.969 0.020 2 730 68 68 GLY C C 175.723 0.400 1 731 68 68 GLY CA C 46.022 0.400 1 732 68 68 GLY N N 109.767 0.400 1 733 69 69 ALA H H 8.114 0.020 1 734 69 69 ALA HA H 4.325 0.020 1 735 69 69 ALA HB H 1.407 0.020 1 736 69 69 ALA C C 174.017 0.400 1 737 69 69 ALA CA C 53.182 0.400 1 738 69 69 ALA CB C 19.721 0.400 1 739 69 69 ALA N N 123.191 0.400 1 740 70 70 ASP H H 8.274 0.020 1 741 70 70 ASP HA H 4.563 0.020 1 742 70 70 ASP HB2 H 2.695 0.020 2 743 70 70 ASP HB3 H 2.619 0.020 2 744 70 70 ASP C C 177.554 0.400 1 745 70 70 ASP CA C 54.750 0.400 1 746 70 70 ASP CB C 41.198 0.400 1 747 70 70 ASP N N 118.703 0.400 1 748 71 71 LEU H H 7.963 0.020 1 749 71 71 LEU HA H 4.256 0.020 1 750 71 71 LEU HB2 H 1.529 0.020 2 751 71 71 LEU HB3 H 1.451 0.020 2 752 71 71 LEU HD1 H 0.832 0.020 2 753 71 71 LEU HG H 1.688 0.020 1 754 71 71 LEU C C 176.419 0.400 1 755 71 71 LEU CA C 56.007 0.400 1 756 71 71 LEU CB C 42.559 0.400 1 757 71 71 LEU N N 121.676 0.400 1 758 72 72 TYR H H 8.047 0.020 1 759 72 72 TYR HA H 4.522 0.020 1 760 72 72 TYR HB2 H 3.116 0.020 2 761 72 72 TYR HB3 H 3.013 0.020 2 762 72 72 TYR HD1 H 7.162 0.020 1 763 72 72 TYR HD2 H 7.162 0.020 1 764 72 72 TYR HE1 H 6.867 0.020 1 765 72 72 TYR HE2 H 6.867 0.020 1 766 72 72 TYR C C 177.181 0.400 1 767 72 72 TYR CA C 58.681 0.400 1 768 72 72 TYR CB C 38.663 0.400 1 769 72 72 TYR CD1 C 133.562 0.400 1 770 72 72 TYR CE1 C 118.518 0.400 1 771 72 72 TYR N N 119.350 0.400 1 772 73 73 GLU H H 8.096 0.020 1 773 73 73 GLU HA H 4.214 0.020 1 774 73 73 GLU HB2 H 1.989 0.020 2 775 73 73 GLU HB3 H 1.968 0.020 2 776 73 73 GLU HG2 H 2.256 0.020 2 777 73 73 GLU HG3 H 2.256 0.020 2 778 73 73 GLU C C 176.163 0.400 1 779 73 73 GLU CA C 57.217 0.400 1 780 73 73 GLU CB C 30.483 0.400 1 781 73 73 GLU N N 121.555 0.400 1 782 74 74 GLU H H 8.358 0.020 1 783 74 74 GLU HA H 4.201 0.020 1 784 74 74 GLU HB2 H 2.276 0.020 2 785 74 74 GLU HB3 H 2.025 0.020 2 786 74 74 GLU C C 176.803 0.400 1 787 74 74 GLU CA C 57.472 0.400 1 788 74 74 GLU CB C 30.361 0.400 1 789 74 74 GLU N N 121.188 0.400 1 790 75 75 LEU H H 8.160 0.020 1 791 75 75 LEU HA H 4.370 0.020 1 792 75 75 LEU HB2 H 1.685 0.020 2 793 75 75 LEU HB3 H 1.634 0.020 2 794 75 75 LEU HD1 H 0.954 0.020 2 795 75 75 LEU HD2 H 0.904 0.020 2 796 75 75 LEU C C 176.945 0.400 1 797 75 75 LEU CA C 55.599 0.400 1 798 75 75 LEU CB C 42.556 0.400 1 799 75 75 LEU N N 122.059 0.400 1 800 76 76 LYS H H 8.186 0.020 1 801 76 76 LYS HA H 4.433 0.020 1 802 76 76 LYS HB2 H 1.898 0.020 2 803 76 76 LYS HB3 H 1.813 0.020 2 804 76 76 LYS HD2 H 1.715 0.020 2 805 76 76 LYS HD3 H 1.715 0.020 2 806 76 76 LYS HE2 H 3.025 0.020 2 807 76 76 LYS HE3 H 3.025 0.020 2 808 76 76 LYS HG2 H 1.499 0.020 2 809 76 76 LYS HG3 H 1.456 0.020 2 810 76 76 LYS C C 177.676 0.400 1 811 76 76 LYS CA C 56.628 0.400 1 812 76 76 LYS CB C 33.304 0.400 1 813 76 76 LYS N N 121.494 0.400 1 814 77 77 THR H H 8.046 0.020 1 815 77 77 THR HA H 4.391 0.020 1 816 77 77 THR HB H 4.286 0.020 1 817 77 77 THR HG2 H 1.245 0.020 1 818 77 77 THR C C 177.066 0.400 1 819 77 77 THR CA C 62.311 0.400 1 820 77 77 THR CB C 70.161 0.400 1 821 77 77 THR CG2 C 21.805 0.400 1 822 77 77 THR N N 114.021 0.400 1 823 79 79 THR HA H 4.471 0.020 1 824 79 79 THR HB H 4.257 0.020 1 825 79 79 THR HG2 H 1.281 0.020 1 826 79 79 THR CA C 62.189 0.400 1 827 79 79 THR CB C 69.861 0.400 1 828 79 79 THR CG2 C 21.899 0.400 1 829 80 80 ALA H H 8.167 0.020 1 830 80 80 ALA HA H 4.361 0.020 1 831 80 80 ALA HB H 1.390 0.020 1 832 80 80 ALA C C 174.267 0.400 1 833 80 80 ALA CA C 52.811 0.400 1 834 80 80 ALA CB C 19.674 0.400 1 835 80 80 ALA N N 126.290 0.400 1 836 81 81 ILE H H 8.057 0.020 1 837 81 81 ILE HA H 4.179 0.020 1 838 81 81 ILE HB H 1.888 0.020 1 839 81 81 ILE HD1 H 0.903 0.020 1 840 81 81 ILE HG12 H 1.520 0.020 2 841 81 81 ILE HG13 H 1.223 0.020 2 842 81 81 ILE HG2 H 0.942 0.020 1 843 81 81 ILE C C 177.391 0.400 1 844 81 81 ILE CA C 61.363 0.400 1 845 81 81 ILE CB C 38.889 0.400 1 846 81 81 ILE CD1 C 13.028 0.400 1 847 81 81 ILE CG1 C 27.614 0.400 1 848 81 81 ILE CG2 C 17.810 0.400 1 849 81 81 ILE N N 120.063 0.400 1 850 82 82 LEU H H 8.292 0.020 1 851 82 82 LEU HA H 4.490 0.020 1 852 82 82 LEU HB2 H 1.685 0.020 2 853 82 82 LEU HB3 H 1.669 0.020 2 854 82 82 LEU HD1 H 0.953 0.020 2 855 82 82 LEU HD2 H 0.896 0.020 2 856 82 82 LEU C C 176.156 0.400 1 857 82 82 LEU CA C 55.399 0.400 1 858 82 82 LEU CB C 42.490 0.400 1 859 82 82 LEU CG C 25.285 0.400 1 860 82 82 LEU N N 126.851 0.400 1 861 83 83 SER H H 7.855 0.020 1 862 83 83 SER HA H 4.285 0.020 1 863 83 83 SER HB2 H 3.866 0.020 2 864 83 83 SER HB3 H 3.866 0.020 2 865 83 83 SER C C 178.137 0.400 1 866 83 83 SER CA C 60.197 0.400 1 867 83 83 SER CB C 65.161 0.400 1 868 83 83 SER N N 122.316 0.400 1 stop_ save_