data_15609 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; solution structure of 50S ribosomal protein L28 from Thermotoga maritima: Northeast Structural Genomics consortium target VR97 ; _BMRB_accession_number 15609 _BMRB_flat_file_name bmr15609.str _Entry_type original _Submission_date 2007-12-28 _Accession_date 2007-12-28 _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 Wu Yibing . . 2 Singarapu 'Kiran Kumar' . . 3 Guido Valerie . . 4 Yee Adelinda . . 5 Sukumaran Dinesh . . 6 Arrowsmith Cheryl . . 7 Szyperski Thomas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 374 "13C chemical shifts" 210 "15N chemical shifts" 61 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-01-25 original author . stop_ _Original_release_date 2008-01-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'solution structure of 50S ribosomal protein L28 from Thermotoga maritima: Northeast Structural Genomics consortium target VR97' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wu Yibing . . 2 Singarapu 'Kiran Kumar' . . 3 Guido Valerie . . 4 Yee Adelinda . . 5 Sukumaran Dinesh . . 6 Arrowsmith Cheryl . . 7 Szyperski Thomas . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword NESG NMR 'solution structure' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ribosomal protein L28' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ribosomal protein L28' $L28 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_L28 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'ribosomal protein L28' _Molecular_mass 8612.257 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 77 _Mol_residue_sequence ; QGHMIMAKRCEVCGKAPRSG NTVSHSDKKSERWFRPNLQK VRVVLPDGTIKRMRVCTSCL KSGKVKKYVGQVSEVGS ; loop_ _Residue_seq_code _Residue_label 1 GLN 2 GLY 3 HIS 4 MET 5 ILE 6 MET 7 ALA 8 LYS 9 ARG 10 CYS 11 GLU 12 VAL 13 CYS 14 GLY 15 LYS 16 ALA 17 PRO 18 ARG 19 SER 20 GLY 21 ASN 22 THR 23 VAL 24 SER 25 HIS 26 SER 27 ASP 28 LYS 29 LYS 30 SER 31 GLU 32 ARG 33 TRP 34 PHE 35 ARG 36 PRO 37 ASN 38 LEU 39 GLN 40 LYS 41 VAL 42 ARG 43 VAL 44 VAL 45 LEU 46 PRO 47 ASP 48 GLY 49 THR 50 ILE 51 LYS 52 ARG 53 MET 54 ARG 55 VAL 56 CYS 57 THR 58 SER 59 CYS 60 LEU 61 LYS 62 SER 63 GLY 64 LYS 65 VAL 66 LYS 67 LYS 68 TYR 69 VAL 70 GLY 71 GLN 72 VAL 73 SER 74 GLU 75 VAL 76 GLY 77 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2JZ6 "Solution Structure Of 50s Ribosomal Protein L28 From Thermotoga Maritima. Northeast Structural Genomics Consortium Target Vr97" 100.00 77 100.00 100.00 9.29e-48 GB AAD35344 "ribosomal protein L28 [Thermotoga maritima MSB8]" 93.51 72 98.61 98.61 2.16e-42 GB ABQ46689 "LSU ribosomal protein L28P [Thermotoga petrophila RKU-1]" 93.51 86 98.61 98.61 3.07e-42 GB ACB09046 "ribosomal protein L28 [Thermotoga sp. RQ2]" 90.91 70 98.57 98.57 9.74e-41 GB ADA66976 "ribosomal protein L28 [Thermotoga naphthophila RKU-10]" 90.91 70 98.57 98.57 9.74e-41 GB AGL49179 "LSU ribosomal protein L28p [Thermotoga maritima MSB8]" 93.51 72 100.00 100.00 1.29e-43 REF NP_228069 "50S ribosomal protein L28 [Thermotoga maritima MSB8]" 93.51 72 98.61 98.61 2.16e-42 REF WP_010865082 "MULTISPECIES: 50S ribosomal protein L28 [Thermotoga]" 93.51 72 98.61 98.61 2.16e-42 REF WP_015646089 "50S ribosomal protein L28 [Thermotoga maritima]" 93.51 72 100.00 100.00 1.29e-43 SP B1L9P8 "RecName: Full=50S ribosomal protein L28" 90.91 70 98.57 98.57 9.74e-41 SP Q9WY96 "RecName: Full=50S ribosomal protein L28" 90.91 70 98.57 98.57 9.74e-41 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $L28 'Thermotoga maritima' 2336 Bacteria . Thermotoga maritima 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 $L28 'recombinant technology' . Escherichia coli . pET21 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 $L28 1.0 mM 'natural abundance' NaCl 300 mM 'natural abundance' D2O 10 % '[U-100% 2H]' H2O 90 % . stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version . loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_AutoStructure _Saveframe_category software _Name AutoStruct _Version . loop_ _Vendor _Address _Electronic_address 'Huang, Tejero, Powers and Montelione' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . 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 750 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_4,3D,_GFT_HNNCABCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '4,3D, GFT HNNCABCA' _Sample_label $sample_1 save_ save_4,3D,_GFT_CABCACONNH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '4,3D, GFT CABCACONNH' _Sample_label $sample_1 save_ save_4,3D,_GFT_HCCH_COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '4,3D, GFT HCCH COSY' _Sample_label $sample_1 save_ save_3D,_15N-13C_RESOLVEDSIMULTANIOUS_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D, 15N-13C RESOLVEDSIMULTANIOUS NOESY' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 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' 0.3 . M pH 7.0 . 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 DSS P 31 'methyl protons' ppm 0.00 . indirect . . . 0.404808636 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_ _Software_label $XEASY stop_ loop_ _Experiment_label '4,3D, GFT HNNCABCA' '4,3D, GFT CABCACONNH' '4,3D, GFT HCCH COSY' '3D, 15N-13C RESOLVEDSIMULTANIOUS 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 'ribosomal protein L28' _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 5 5 ILE H H 8.28 0.02 1 2 5 5 ILE HA H 4.11 0.02 1 3 5 5 ILE HB H 1.83 0.02 1 4 5 5 ILE HD1 H 0.84 0.02 1 5 5 5 ILE HG12 H 1.46 0.02 2 6 5 5 ILE HG13 H 1.17 0.02 2 7 5 5 ILE HG2 H 0.87 0.02 1 8 5 5 ILE CA C 61.0 0.3 1 9 5 5 ILE CB C 38.4 0.3 1 10 5 5 ILE CD1 C 12.6 0.3 1 11 5 5 ILE CG1 C 27.3 0.3 1 12 5 5 ILE CG2 C 17.4 0.3 1 13 5 5 ILE N N 123.0 0.3 1 14 6 6 MET H H 8.42 0.02 1 15 6 6 MET HA H 4.45 0.02 1 16 6 6 MET HB2 H 2.04 0.02 2 17 6 6 MET HB3 H 1.98 0.02 2 18 6 6 MET HG2 H 2.60 0.02 2 19 6 6 MET HG3 H 2.60 0.02 2 20 6 6 MET CA C 55.3 0.3 1 21 6 6 MET CB C 32.5 0.3 1 22 6 6 MET CG C 30.1 0.3 1 23 6 6 MET N N 124.7 0.3 1 24 7 7 ALA H H 8.18 0.02 1 25 7 7 ALA HA H 4.26 0.02 1 26 7 7 ALA HB H 1.35 0.02 1 27 7 7 ALA CA C 52.3 0.3 1 28 7 7 ALA CB C 19.0 0.3 1 29 7 7 ALA N N 125.0 0.3 1 30 8 8 LYS H H 8.13 0.02 1 31 8 8 LYS HA H 4.25 0.02 1 32 8 8 LYS HB2 H 1.71 0.02 2 33 8 8 LYS HB3 H 1.71 0.02 2 34 8 8 LYS HD2 H 1.61 0.02 2 35 8 8 LYS HD3 H 1.61 0.02 2 36 8 8 LYS HE2 H 2.96 0.02 2 37 8 8 LYS HE3 H 2.96 0.02 2 38 8 8 LYS HG2 H 1.39 0.02 2 39 8 8 LYS HG3 H 1.46 0.02 2 40 8 8 LYS CA C 55.7 0.3 1 41 8 8 LYS CB C 32.8 0.3 1 42 8 8 LYS CD C 28.8 0.3 1 43 8 8 LYS CE C 41.8 0.3 1 44 8 8 LYS CG C 24.9 0.3 1 45 8 8 LYS N N 119.2 0.3 1 46 9 9 ARG H H 7.76 0.02 1 47 9 9 ARG HA H 4.34 0.02 1 48 9 9 ARG HB2 H 1.48 0.02 2 49 9 9 ARG HB3 H 1.40 0.02 2 50 9 9 ARG HD2 H 3.11 0.02 2 51 9 9 ARG HD3 H 3.11 0.02 2 52 9 9 ARG HG2 H 1.48 0.02 2 53 9 9 ARG HG3 H 1.36 0.02 2 54 9 9 ARG CA C 54.5 0.3 1 55 9 9 ARG CB C 32.5 0.3 1 56 9 9 ARG CD C 43.2 0.3 1 57 9 9 ARG CG C 27.5 0.3 1 58 9 9 ARG N N 117.4 0.3 1 59 10 10 CYS H H 8.21 0.02 1 60 10 10 CYS HA H 4.00 0.02 1 61 10 10 CYS HB2 H 3.55 0.02 2 62 10 10 CYS HB3 H 2.70 0.02 2 63 10 10 CYS CA C 59.7 0.3 1 64 10 10 CYS CB C 31.6 0.3 1 65 10 10 CYS N N 123.2 0.3 1 66 11 11 GLU H H 9.16 0.02 1 67 11 11 GLU HA H 4.14 0.02 1 68 11 11 GLU HB2 H 2.28 0.02 2 69 11 11 GLU HB3 H 2.08 0.02 2 70 11 11 GLU HG2 H 2.32 0.02 2 71 11 11 GLU HG3 H 2.70 0.02 2 72 11 11 GLU CA C 58.8 0.3 1 73 11 11 GLU CB C 30.9 0.3 1 74 11 11 GLU CG C 39.2 0.3 1 75 11 11 GLU N N 129.4 0.3 1 76 12 12 VAL H H 9.45 0.02 1 77 12 12 VAL HA H 3.97 0.02 1 78 12 12 VAL HB H 2.61 0.02 1 79 12 12 VAL HG1 H 0.87 0.02 2 80 12 12 VAL HG2 H 0.87 0.02 2 81 12 12 VAL CA C 65.1 0.3 1 82 12 12 VAL CB C 31.6 0.3 1 83 12 12 VAL CG1 C 22.9 0.3 1 84 12 12 VAL CG2 C 21.3 0.3 1 85 12 12 VAL N N 122.8 0.3 1 86 13 13 CYS H H 8.53 0.02 1 87 13 13 CYS HA H 4.76 0.02 1 88 13 13 CYS HB2 H 2.64 0.02 2 89 13 13 CYS HB3 H 3.11 0.02 2 90 13 13 CYS CA C 59.0 0.3 1 91 13 13 CYS CB C 32.0 0.3 1 92 13 13 CYS N N 118.6 0.3 1 93 14 14 GLY H H 7.51 0.02 1 94 14 14 GLY HA2 H 3.93 0.02 2 95 14 14 GLY HA3 H 4.12 0.02 2 96 14 14 GLY CA C 46.3 0.3 1 97 14 14 GLY N N 111.6 0.3 1 98 15 15 LYS H H 8.42 0.02 1 99 15 15 LYS HA H 4.51 0.02 1 100 15 15 LYS HB2 H 1.78 0.02 2 101 15 15 LYS HB3 H 2.07 0.02 2 102 15 15 LYS HD2 H 1.68 0.02 2 103 15 15 LYS HD3 H 1.68 0.02 2 104 15 15 LYS HE2 H 2.96 0.02 2 105 15 15 LYS HE3 H 2.96 0.02 2 106 15 15 LYS HG2 H 1.47 0.02 2 107 15 15 LYS HG3 H 1.39 0.02 2 108 15 15 LYS CA C 56.2 0.3 1 109 15 15 LYS CB C 34.0 0.3 1 110 15 15 LYS CD C 28.8 0.3 1 111 15 15 LYS CE C 39.7 0.3 1 112 15 15 LYS CG C 24.9 0.3 1 113 15 15 LYS N N 121.3 0.3 1 114 16 16 ALA H H 8.69 0.02 1 115 16 16 ALA HA H 4.91 0.02 1 116 16 16 ALA HB H 1.29 0.02 1 117 16 16 ALA CA C 49.2 0.3 1 118 16 16 ALA CB C 18.6 0.3 1 119 16 16 ALA N N 126.5 0.3 1 120 17 17 PRO HA H 4.55 0.02 1 121 17 17 PRO HB2 H 2.30 0.02 2 122 17 17 PRO HB3 H 1.92 0.02 2 123 17 17 PRO HD2 H 3.76 0.02 2 124 17 17 PRO HD3 H 3.76 0.02 2 125 17 17 PRO HG2 H 1.92 0.02 2 126 17 17 PRO HG3 H 2.02 0.02 2 127 17 17 PRO CA C 57.3 0.3 1 128 17 17 PRO CB C 32.1 0.3 1 129 17 17 PRO CD C 50.4 0.3 1 130 17 17 PRO CG C 27.6 0.3 1 131 31 31 GLU H H 8.27 0.02 1 132 31 31 GLU HA H 4.21 0.02 1 133 31 31 GLU HB2 H 1.96 0.02 2 134 31 31 GLU HB3 H 1.88 0.02 2 135 31 31 GLU HG2 H 2.23 0.02 2 136 31 31 GLU HG3 H 2.23 0.02 2 137 31 31 GLU CA C 56.6 0.3 1 138 31 31 GLU CB C 29.8 0.3 1 139 31 31 GLU CG C 36.0 0.3 1 140 31 31 GLU N N 122.3 0.3 1 141 32 32 ARG H H 8.12 0.02 1 142 32 32 ARG HA H 4.18 0.02 1 143 32 32 ARG HB2 H 1.62 0.02 2 144 32 32 ARG HB3 H 1.62 0.02 2 145 32 32 ARG HD2 H 3.05 0.02 2 146 32 32 ARG HD3 H 3.05 0.02 2 147 32 32 ARG HG2 H 1.38 0.02 2 148 32 32 ARG HG3 H 1.38 0.02 2 149 32 32 ARG CA C 56.4 0.3 1 150 32 32 ARG CB C 30.4 0.3 1 151 32 32 ARG CD C 43.1 0.3 1 152 32 32 ARG CG C 26.7 0.3 1 153 32 32 ARG N N 120.3 0.3 1 154 33 33 TRP H H 7.86 0.02 1 155 33 33 TRP HA H 4.64 0.02 1 156 33 33 TRP HB2 H 3.21 0.02 2 157 33 33 TRP HB3 H 3.15 0.02 2 158 33 33 TRP HD1 H 7.16 0.02 1 159 33 33 TRP HE1 H 10.12 0.02 1 160 33 33 TRP HE3 H 7.53 0.02 1 161 33 33 TRP HH2 H 7.19 0.02 1 162 33 33 TRP HZ2 H 7.45 0.02 1 163 33 33 TRP HZ3 H 7.10 0.02 1 164 33 33 TRP CA C 56.4 0.3 1 165 33 33 TRP CB C 29.6 0.3 1 166 33 33 TRP CD1 C 126.9 0.3 1 167 33 33 TRP CE3 C 120.8 0.3 1 168 33 33 TRP CH2 C 124.4 0.3 1 169 33 33 TRP CZ2 C 114.4 0.3 1 170 33 33 TRP CZ3 C 121.7 0.3 1 171 33 33 TRP N N 120.3 0.3 1 172 33 33 TRP NE1 N 129.2 0.3 1 173 34 34 PHE H H 7.87 0.02 1 174 34 34 PHE HA H 4.52 0.02 1 175 34 34 PHE HB2 H 2.92 0.02 2 176 34 34 PHE HB3 H 2.92 0.02 2 177 34 34 PHE HD1 H 7.14 0.02 3 178 34 34 PHE HD2 H 7.14 0.02 3 179 34 34 PHE HE1 H 7.26 0.02 3 180 34 34 PHE HE2 H 7.26 0.02 3 181 34 34 PHE HZ H 7.30 0.02 1 182 34 34 PHE CA C 57.2 0.3 1 183 34 34 PHE CB C 39.6 0.3 1 184 34 34 PHE CD1 C 131.5 0.3 1 185 34 34 PHE CE1 C 129.5 0.3 1 186 34 34 PHE CZ C 131.1 0.3 1 187 34 34 PHE N N 121.5 0.3 1 188 35 35 ARG H H 8.01 0.02 1 189 35 35 ARG HA H 4.45 0.02 1 190 35 35 ARG HB2 H 1.74 0.02 2 191 35 35 ARG HB3 H 1.63 0.02 2 192 35 35 ARG HD2 H 3.15 0.02 2 193 35 35 ARG HD3 H 3.15 0.02 2 194 35 35 ARG HG2 H 1.56 0.02 2 195 35 35 ARG HG3 H 1.56 0.02 2 196 35 35 ARG CA C 53.2 0.3 1 197 35 35 ARG CB C 30.5 0.3 1 198 35 35 ARG CD C 43.4 0.3 1 199 35 35 ARG CG C 26.8 0.3 1 200 35 35 ARG N N 124.2 0.3 1 201 36 36 PRO HA H 4.37 0.02 1 202 36 36 PRO HB2 H 2.27 0.02 2 203 36 36 PRO HB3 H 1.90 0.02 2 204 36 36 PRO HD2 H 3.58 0.02 2 205 36 36 PRO HD3 H 3.58 0.02 2 206 36 36 PRO HG2 H 1.98 0.02 2 207 36 36 PRO HG3 H 1.98 0.02 2 208 36 36 PRO CA C 62.8 0.3 1 209 36 36 PRO CB C 32.0 0.3 1 210 36 36 PRO CD C 50.4 0.3 1 211 36 36 PRO CG C 27.1 0.3 1 212 37 37 ASN H H 8.42 0.02 1 213 37 37 ASN HA H 4.74 0.02 1 214 37 37 ASN HB2 H 2.76 0.02 2 215 37 37 ASN HB3 H 2.76 0.02 2 216 37 37 ASN HD21 H 7.55 0.02 2 217 37 37 ASN HD22 H 6.95 0.02 2 218 37 37 ASN CA C 53.2 0.3 1 219 37 37 ASN CB C 39.6 0.3 1 220 37 37 ASN N N 118.2 0.3 1 221 37 37 ASN ND2 N 112.8 0.3 1 222 38 38 LEU H H 8.08 0.02 1 223 38 38 LEU HA H 4.48 0.02 1 224 38 38 LEU HB2 H 1.24 0.02 2 225 38 38 LEU HB3 H 1.56 0.02 2 226 38 38 LEU HD1 H 0.65 0.02 2 227 38 38 LEU HD2 H 0.67 0.02 2 228 38 38 LEU HG H 1.51 0.02 1 229 38 38 LEU CA C 54.3 0.3 1 230 38 38 LEU CB C 43.5 0.3 1 231 38 38 LEU CD1 C 25.2 0.3 1 232 38 38 LEU CD2 C 23.7 0.3 1 233 38 38 LEU CG C 26.5 0.3 1 234 38 38 LEU N N 120.2 0.3 1 235 39 39 GLN H H 8.57 0.02 1 236 39 39 GLN HA H 4.49 0.02 1 237 39 39 GLN HB2 H 2.02 0.02 2 238 39 39 GLN HB3 H 1.85 0.02 2 239 39 39 GLN HE21 H 6.79 0.02 2 240 39 39 GLN HE22 H 7.45 0.02 2 241 39 39 GLN HG2 H 2.21 0.02 2 242 39 39 GLN HG3 H 2.29 0.02 2 243 39 39 GLN CA C 54.1 0.3 1 244 39 39 GLN CB C 31.3 0.3 1 245 39 39 GLN CG C 33.3 0.3 1 246 39 39 GLN N N 121.0 0.3 1 247 39 39 GLN NE2 N 112.3 0.3 1 248 40 40 LYS H H 8.63 0.02 1 249 40 40 LYS HA H 4.84 0.02 1 250 40 40 LYS HB2 H 1.64 0.02 2 251 40 40 LYS HB3 H 1.64 0.02 2 252 40 40 LYS HD2 H 1.61 0.02 2 253 40 40 LYS HD3 H 1.61 0.02 2 254 40 40 LYS HE2 H 2.89 0.02 2 255 40 40 LYS HE3 H 2.89 0.02 2 256 40 40 LYS HG2 H 1.32 0.02 2 257 40 40 LYS HG3 H 1.16 0.02 2 258 40 40 LYS CA C 56.0 0.3 1 259 40 40 LYS CB C 32.6 0.3 1 260 40 40 LYS CD C 28.8 0.3 1 261 40 40 LYS CE C 41.8 0.3 1 262 40 40 LYS CG C 25.5 0.3 1 263 40 40 LYS N N 122.9 0.3 1 264 41 41 VAL H H 8.90 0.02 1 265 41 41 VAL HA H 4.64 0.02 1 266 41 41 VAL HB H 2.04 0.02 1 267 41 41 VAL HG1 H 0.81 0.02 2 268 41 41 VAL HG2 H 0.88 0.02 2 269 41 41 VAL CA C 59.6 0.3 1 270 41 41 VAL CB C 35.7 0.3 1 271 41 41 VAL CG1 C 19.9 0.3 1 272 41 41 VAL CG2 C 21.3 0.3 1 273 41 41 VAL N N 121.7 0.3 1 274 42 42 ARG H H 8.67 0.02 1 275 42 42 ARG HA H 4.66 0.02 1 276 42 42 ARG HB2 H 1.66 0.02 2 277 42 42 ARG HB3 H 1.86 0.02 2 278 42 42 ARG HD2 H 3.13 0.02 2 279 42 42 ARG HD3 H 3.13 0.02 2 280 42 42 ARG HG2 H 1.58 0.02 2 281 42 42 ARG HG3 H 1.58 0.02 2 282 42 42 ARG CA C 56.5 0.3 1 283 42 42 ARG CB C 31.0 0.3 1 284 42 42 ARG CD C 43.1 0.3 1 285 42 42 ARG CG C 26.8 0.3 1 286 42 42 ARG N N 123.9 0.3 1 287 43 43 VAL H H 9.02 0.02 1 288 43 43 VAL HA H 4.84 0.02 1 289 43 43 VAL HB H 1.99 0.02 1 290 43 43 VAL HG1 H 0.76 0.02 2 291 43 43 VAL HG2 H 0.78 0.02 2 292 43 43 VAL CA C 59.6 0.3 1 293 43 43 VAL CB C 35.2 0.3 1 294 43 43 VAL CG1 C 21.9 0.3 1 295 43 43 VAL CG2 C 19.9 0.3 1 296 43 43 VAL N N 123.2 0.3 1 297 44 44 VAL H H 8.66 0.02 1 298 44 44 VAL HA H 4.63 0.02 1 299 44 44 VAL HB H 1.86 0.02 1 300 44 44 VAL HG1 H 0.94 0.02 2 301 44 44 VAL HG2 H 0.95 0.02 2 302 44 44 VAL CA C 60.6 0.3 1 303 44 44 VAL CB C 32.8 0.3 1 304 44 44 VAL CG1 C 20.8 0.3 1 305 44 44 VAL CG2 C 20.7 0.3 1 306 44 44 VAL N N 121.4 0.3 1 307 45 45 LEU H H 9.15 0.02 1 308 45 45 LEU HA H 4.58 0.02 1 309 45 45 LEU HB2 H 1.69 0.02 2 310 45 45 LEU HB3 H 1.93 0.02 2 311 45 45 LEU HD1 H 0.85 0.02 2 312 45 45 LEU HD2 H 0.84 0.02 2 313 45 45 LEU HG H 1.68 0.02 1 314 45 45 LEU CA C 54.2 0.3 1 315 45 45 LEU CB C 39.9 0.3 1 316 45 45 LEU CD1 C 25.0 0.3 1 317 45 45 LEU CD2 C 23.0 0.3 1 318 45 45 LEU CG C 28.0 0.3 1 319 45 45 LEU N N 130.5 0.3 1 320 46 46 PRO HA H 4.32 0.02 1 321 46 46 PRO HB2 H 2.42 0.02 2 322 46 46 PRO HB3 H 1.94 0.02 2 323 46 46 PRO HD2 H 3.82 0.02 2 324 46 46 PRO HD3 H 3.82 0.02 2 325 46 46 PRO HG2 H 2.15 0.02 2 326 46 46 PRO HG3 H 2.05 0.02 2 327 46 46 PRO CA C 65.5 0.3 1 328 46 46 PRO CB C 31.5 0.3 1 329 46 46 PRO CD C 50.6 0.3 1 330 46 46 PRO CG C 27.8 0.3 1 331 47 47 ASP H H 7.50 0.02 1 332 47 47 ASP HA H 4.53 0.02 1 333 47 47 ASP HB2 H 2.57 0.02 2 334 47 47 ASP HB3 H 3.06 0.02 2 335 47 47 ASP CA C 53.0 0.3 1 336 47 47 ASP CB C 39.7 0.3 1 337 47 47 ASP N N 113.1 0.3 1 338 48 48 GLY H H 8.55 0.02 1 339 48 48 GLY HA2 H 4.30 0.02 2 340 48 48 GLY HA3 H 3.48 0.02 2 341 48 48 GLY CA C 44.7 0.3 1 342 48 48 GLY N N 109.0 0.3 1 343 49 49 THR H H 8.03 0.02 1 344 49 49 THR HA H 4.07 0.02 1 345 49 49 THR HB H 4.12 0.02 1 346 49 49 THR HG2 H 1.13 0.02 1 347 49 49 THR CA C 63.4 0.3 1 348 49 49 THR CB C 69.5 0.3 1 349 49 49 THR CG2 C 21.1 0.3 1 350 49 49 THR N N 116.4 0.3 1 351 50 50 ILE H H 8.23 0.02 1 352 50 50 ILE HA H 5.01 0.02 1 353 50 50 ILE HB H 1.52 0.02 1 354 50 50 ILE HD1 H 0.52 0.02 1 355 50 50 ILE HG12 H 1.48 0.02 2 356 50 50 ILE HG13 H 0.76 0.02 2 357 50 50 ILE HG2 H 0.49 0.02 1 358 50 50 ILE CA C 59.4 0.3 1 359 50 50 ILE CB C 39.2 0.3 1 360 50 50 ILE CD1 C 13.3 0.3 1 361 50 50 ILE CG1 C 27.6 0.3 1 362 50 50 ILE CG2 C 17.7 0.3 1 363 50 50 ILE N N 122.8 0.3 1 364 51 51 LYS H H 8.97 0.02 1 365 51 51 LYS HA H 4.68 0.02 1 366 51 51 LYS HB2 H 1.55 0.02 2 367 51 51 LYS HB3 H 1.69 0.02 2 368 51 51 LYS HD2 H 1.61 0.02 2 369 51 51 LYS HD3 H 1.61 0.02 2 370 51 51 LYS HE2 H 2.93 0.02 2 371 51 51 LYS HE3 H 2.93 0.02 2 372 51 51 LYS HG2 H 1.28 0.02 2 373 51 51 LYS HG3 H 1.28 0.02 2 374 51 51 LYS CA C 54.1 0.3 1 375 51 51 LYS CB C 36.7 0.3 1 376 51 51 LYS CD C 28.8 0.3 1 377 51 51 LYS CE C 41.8 0.3 1 378 51 51 LYS CG C 24.7 0.3 1 379 51 51 LYS N N 127.4 0.3 1 380 52 52 ARG H H 8.68 0.02 1 381 52 52 ARG HA H 4.95 0.02 1 382 52 52 ARG HB2 H 1.67 0.02 2 383 52 52 ARG HB3 H 1.67 0.02 2 384 52 52 ARG HD2 H 3.10 0.02 2 385 52 52 ARG HD3 H 3.15 0.02 2 386 52 52 ARG HG2 H 1.34 0.02 2 387 52 52 ARG HG3 H 1.63 0.02 2 388 52 52 ARG CA C 55.4 0.3 1 389 52 52 ARG CB C 30.5 0.3 1 390 52 52 ARG CD C 43.3 0.3 1 391 52 52 ARG CG C 28.1 0.3 1 392 52 52 ARG N N 124.0 0.3 1 393 53 53 MET H H 8.93 0.02 1 394 53 53 MET HA H 4.82 0.02 1 395 53 53 MET HB2 H 1.90 0.02 2 396 53 53 MET HB3 H 1.61 0.02 2 397 53 53 MET HE H 1.87 0.02 1 398 53 53 MET HG2 H 2.36 0.02 2 399 53 53 MET HG3 H 2.17 0.02 2 400 53 53 MET CA C 54.8 0.3 1 401 53 53 MET CB C 38.4 0.3 1 402 53 53 MET CE C 17.3 0.3 1 403 53 53 MET CG C 31.7 0.3 1 404 53 53 MET N N 123.7 0.3 1 405 54 54 ARG H H 9.23 0.02 1 406 54 54 ARG HA H 4.91 0.02 1 407 54 54 ARG HB2 H 1.64 0.02 2 408 54 54 ARG HB3 H 1.85 0.02 2 409 54 54 ARG HD2 H 3.13 0.02 2 410 54 54 ARG HD3 H 3.13 0.02 2 411 54 54 ARG HG2 H 1.62 0.02 2 412 54 54 ARG HG3 H 1.34 0.02 2 413 54 54 ARG CA C 55.6 0.3 1 414 54 54 ARG CB C 30.5 0.3 1 415 54 54 ARG CD C 43.1 0.3 1 416 54 54 ARG CG C 28.1 0.3 1 417 54 54 ARG N N 123.5 0.3 1 418 55 55 VAL H H 8.73 0.02 1 419 55 55 VAL HA H 5.70 0.02 1 420 55 55 VAL HB H 1.82 0.02 1 421 55 55 VAL HG1 H 1.03 0.02 2 422 55 55 VAL HG2 H 0.85 0.02 2 423 55 55 VAL CA C 59.3 0.3 1 424 55 55 VAL CB C 35.8 0.3 1 425 55 55 VAL CG1 C 22.7 0.3 1 426 55 55 VAL CG2 C 21.3 0.3 1 427 55 55 VAL N N 122.8 0.3 1 428 56 56 CYS H H 9.77 0.02 1 429 56 56 CYS HA H 5.22 0.02 1 430 56 56 CYS HB2 H 3.65 0.02 2 431 56 56 CYS HB3 H 2.81 0.02 2 432 56 56 CYS CA C 57.1 0.3 1 433 56 56 CYS CB C 32.6 0.3 1 434 56 56 CYS N N 129.4 0.3 1 435 57 57 THR H H 8.48 0.02 1 436 57 57 THR HA H 3.88 0.02 1 437 57 57 THR HB H 4.24 0.02 1 438 57 57 THR HG2 H 1.31 0.02 1 439 57 57 THR CA C 66.0 0.3 1 440 57 57 THR CB C 68.6 0.3 1 441 57 57 THR CG2 C 22.5 0.3 1 442 57 57 THR N N 114.0 0.3 1 443 58 58 SER H H 8.27 0.02 1 444 58 58 SER HA H 4.28 0.02 1 445 58 58 SER HB2 H 4.11 0.02 2 446 58 58 SER HB3 H 4.11 0.02 2 447 58 58 SER CA C 62.2 0.3 1 448 58 58 SER CB C 62.3 0.3 1 449 58 58 SER N N 118.4 0.3 1 450 59 59 CYS H H 9.09 0.02 1 451 59 59 CYS HA H 3.80 0.02 1 452 59 59 CYS HB2 H 2.55 0.02 2 453 59 59 CYS HB3 H 3.10 0.02 2 454 59 59 CYS CA C 66.4 0.3 1 455 59 59 CYS CB C 28.3 0.3 1 456 59 59 CYS N N 126.9 0.3 1 457 60 60 LEU H H 7.79 0.02 1 458 60 60 LEU HA H 4.12 0.02 1 459 60 60 LEU HB2 H 1.61 0.02 2 460 60 60 LEU HB3 H 1.80 0.02 2 461 60 60 LEU HD1 H 0.73 0.02 2 462 60 60 LEU HD2 H 0.77 0.02 2 463 60 60 LEU HG H 1.62 0.02 1 464 60 60 LEU CA C 57.6 0.3 1 465 60 60 LEU CB C 41.9 0.3 1 466 60 60 LEU CD1 C 23.4 0.3 1 467 60 60 LEU CD2 C 25.2 0.3 1 468 60 60 LEU CG C 26.5 0.3 1 469 60 60 LEU N N 118.9 0.3 1 470 61 61 LYS H H 8.62 0.02 1 471 61 61 LYS HA H 4.16 0.02 1 472 61 61 LYS HB2 H 1.92 0.02 2 473 61 61 LYS HB3 H 1.92 0.02 2 474 61 61 LYS HD2 H 1.65 0.02 2 475 61 61 LYS HD3 H 1.65 0.02 2 476 61 61 LYS HE2 H 2.93 0.02 2 477 61 61 LYS HE3 H 2.93 0.02 2 478 61 61 LYS HG2 H 1.57 0.02 2 479 61 61 LYS HG3 H 1.57 0.02 2 480 61 61 LYS CA C 58.4 0.3 1 481 61 61 LYS CB C 32.3 0.3 1 482 61 61 LYS CD C 28.8 0.3 1 483 61 61 LYS CE C 41.8 0.3 1 484 61 61 LYS CG C 25.1 0.3 1 485 61 61 LYS N N 119.8 0.3 1 486 62 62 SER H H 7.88 0.02 1 487 62 62 SER HA H 4.45 0.02 1 488 62 62 SER HB2 H 4.06 0.02 2 489 62 62 SER HB3 H 4.06 0.02 2 490 62 62 SER CA C 59.1 0.3 1 491 62 62 SER CB C 64.0 0.3 1 492 62 62 SER N N 111.6 0.3 1 493 63 63 GLY H H 7.77 0.02 1 494 63 63 GLY HA2 H 3.92 0.02 2 495 63 63 GLY HA3 H 4.14 0.02 2 496 63 63 GLY CA C 46.2 0.3 1 497 63 63 GLY N N 109.2 0.3 1 498 64 64 LYS H H 8.13 0.02 1 499 64 64 LYS HA H 4.06 0.02 1 500 64 64 LYS HB2 H 1.89 0.02 2 501 64 64 LYS HB3 H 1.89 0.02 2 502 64 64 LYS HD2 H 1.74 0.02 2 503 64 64 LYS HD3 H 1.74 0.02 2 504 64 64 LYS HE2 H 2.96 0.02 2 505 64 64 LYS HE3 H 2.96 0.02 2 506 64 64 LYS HG2 H 1.45 0.02 2 507 64 64 LYS HG3 H 1.45 0.02 2 508 64 64 LYS CA C 58.2 0.3 1 509 64 64 LYS CB C 33.0 0.3 1 510 64 64 LYS CD C 28.8 0.3 1 511 64 64 LYS CE C 41.8 0.3 1 512 64 64 LYS CG C 25.4 0.3 1 513 64 64 LYS N N 119.1 0.3 1 514 65 65 VAL H H 7.46 0.02 1 515 65 65 VAL HA H 4.22 0.02 1 516 65 65 VAL HB H 1.99 0.02 1 517 65 65 VAL HG1 H 0.71 0.02 2 518 65 65 VAL HG2 H 0.85 0.02 2 519 65 65 VAL CA C 60.2 0.3 1 520 65 65 VAL CB C 34.1 0.3 1 521 65 65 VAL CG1 C 20.3 0.3 1 522 65 65 VAL CG2 C 22.7 0.3 1 523 65 65 VAL N N 110.2 0.3 1 524 66 66 LYS H H 8.21 0.02 1 525 66 66 LYS HA H 4.49 0.02 1 526 66 66 LYS HB2 H 1.86 0.02 2 527 66 66 LYS HB3 H 1.73 0.02 2 528 66 66 LYS HD2 H 1.67 0.02 2 529 66 66 LYS HD3 H 1.67 0.02 2 530 66 66 LYS HE2 H 2.98 0.02 2 531 66 66 LYS HE3 H 2.98 0.02 2 532 66 66 LYS HG2 H 1.40 0.02 2 533 66 66 LYS HG3 H 1.36 0.02 2 534 66 66 LYS CA C 55.5 0.3 1 535 66 66 LYS CB C 33.6 0.3 1 536 66 66 LYS CD C 28.8 0.3 1 537 66 66 LYS CE C 42.1 0.3 1 538 66 66 LYS CG C 24.6 0.3 1 539 66 66 LYS N N 122.6 0.3 1 540 67 67 LYS H H 8.48 0.02 1 541 67 67 LYS HA H 4.25 0.02 1 542 67 67 LYS HB2 H 1.71 0.02 2 543 67 67 LYS HB3 H 1.71 0.02 2 544 67 67 LYS HD2 H 1.61 0.02 2 545 67 67 LYS HD3 H 1.61 0.02 2 546 67 67 LYS HE2 H 2.93 0.02 2 547 67 67 LYS HE3 H 2.93 0.02 2 548 67 67 LYS HG2 H 1.37 0.02 2 549 67 67 LYS HG3 H 1.30 0.02 2 550 67 67 LYS CA C 57.3 0.3 1 551 67 67 LYS CB C 32.9 0.3 1 552 67 67 LYS CD C 28.8 0.3 1 553 67 67 LYS CE C 41.8 0.3 1 554 67 67 LYS CG C 24.6 0.3 1 555 67 67 LYS N N 122.8 0.3 1 556 68 68 TYR H H 8.51 0.02 1 557 68 68 TYR HA H 4.47 0.02 1 558 68 68 TYR HB2 H 2.68 0.02 2 559 68 68 TYR HB3 H 2.68 0.02 2 560 68 68 TYR HD1 H 6.91 0.02 3 561 68 68 TYR HD2 H 6.91 0.02 3 562 68 68 TYR HE1 H 6.75 0.02 3 563 68 68 TYR HE2 H 6.75 0.02 3 564 68 68 TYR CA C 58.0 0.3 1 565 68 68 TYR CB C 39.1 0.3 1 566 68 68 TYR CD1 C 132.5 0.3 1 567 68 68 TYR CE1 C 118.1 0.3 1 568 68 68 TYR N N 123.8 0.3 1 569 69 69 VAL H H 8.04 0.02 1 570 69 69 VAL HA H 4.04 0.02 1 571 69 69 VAL HB H 2.02 0.02 1 572 69 69 VAL HG1 H 0.78 0.02 2 573 69 69 VAL HG2 H 0.80 0.02 2 574 69 69 VAL CA C 61.6 0.3 1 575 69 69 VAL CB C 32.7 0.3 1 576 69 69 VAL CG1 C 19.9 0.3 1 577 69 69 VAL CG2 C 19.9 0.3 1 578 69 69 VAL N N 124.6 0.3 1 579 70 70 GLY H H 7.16 0.02 1 580 70 70 GLY HA2 H 3.80 0.02 2 581 70 70 GLY HA3 H 3.80 0.02 2 582 70 70 GLY CA C 44.9 0.3 1 583 70 70 GLY N N 109.8 0.3 1 584 71 71 GLN H H 8.26 0.02 1 585 71 71 GLN HA H 4.35 0.02 1 586 71 71 GLN HB2 H 1.95 0.02 2 587 71 71 GLN HB3 H 2.08 0.02 2 588 71 71 GLN HE21 H 7.55 0.02 2 589 71 71 GLN HE22 H 6.87 0.02 2 590 71 71 GLN HG2 H 2.35 0.02 2 591 71 71 GLN HG3 H 2.35 0.02 2 592 71 71 GLN CA C 55.8 0.3 1 593 71 71 GLN CB C 29.8 0.3 1 594 71 71 GLN CG C 33.7 0.3 1 595 71 71 GLN N N 118.5 0.3 1 596 71 71 GLN NE2 N 112.4 0.3 1 597 72 72 VAL H H 8.32 0.02 1 598 72 72 VAL HA H 4.14 0.02 1 599 72 72 VAL HB H 2.07 0.02 1 600 72 72 VAL HG1 H 0.92 0.02 2 601 72 72 VAL HG2 H 0.85 0.02 2 602 72 72 VAL CA C 62.3 0.3 1 603 72 72 VAL CB C 32.6 0.3 1 604 72 72 VAL CG1 C 20.8 0.3 1 605 72 72 VAL CG2 C 20.8 0.3 1 606 72 72 VAL N N 122.0 0.3 1 607 73 73 SER H H 8.43 0.02 1 608 73 73 SER HA H 4.44 0.02 1 609 73 73 SER HB2 H 3.83 0.02 2 610 73 73 SER HB3 H 3.83 0.02 2 611 73 73 SER CA C 58.3 0.3 1 612 73 73 SER CB C 63.8 0.3 1 613 73 73 SER N N 119.8 0.3 1 614 74 74 GLU H H 8.48 0.02 1 615 74 74 GLU HA H 4.34 0.02 1 616 74 74 GLU HB2 H 2.06 0.02 2 617 74 74 GLU HB3 H 1.93 0.02 2 618 74 74 GLU HG2 H 2.21 0.02 2 619 74 74 GLU HG3 H 2.21 0.02 2 620 74 74 GLU CA C 56.6 0.3 1 621 74 74 GLU CB C 29.9 0.3 1 622 74 74 GLU CG C 36.0 0.3 1 623 74 74 GLU N N 123.3 0.3 1 624 75 75 VAL H H 8.21 0.02 1 625 75 75 VAL HA H 4.14 0.02 1 626 75 75 VAL HB H 2.08 0.02 1 627 75 75 VAL HG1 H 0.93 0.02 2 628 75 75 VAL HG2 H 0.93 0.02 2 629 75 75 VAL CA C 62.6 0.3 1 630 75 75 VAL CB C 32.7 0.3 1 631 75 75 VAL CG1 C 20.5 0.3 1 632 75 75 VAL CG2 C 20.3 0.3 1 633 75 75 VAL N N 120.9 0.3 1 634 76 76 GLY H H 8.51 0.02 1 635 76 76 GLY HA2 H 3.95 0.02 2 636 76 76 GLY HA3 H 3.95 0.02 2 637 76 76 GLY CA C 45.3 0.3 1 638 76 76 GLY N N 113.3 0.3 1 639 77 77 SER H H 7.88 0.02 1 640 77 77 SER HA H 4.51 0.02 1 641 77 77 SER HB2 H 3.99 0.02 2 642 77 77 SER HB3 H 3.99 0.02 2 643 77 77 SER CA C 59.8 0.3 1 644 77 77 SER CB C 64.9 0.3 1 645 77 77 SER N N 121.2 0.3 1 stop_ save_