data_4047 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N Resonance Assignments and Secondary Structure Analysis of the HU Protein from Bacillus stearothermophilus Using Two- and Three- Dimensional Double- and Triple-Resonance Heteronuclear Magnetic Resonance Spectroscopy ; _BMRB_accession_number 4047 _BMRB_flat_file_name bmr4047.str _Entry_type update _Submission_date 1997-07-27 _Accession_date 1997-07-27 _Entry_origination BMRB _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 Vis Hans . . 2 Boelens Rolf . . 3 Mariani Matteo . . 4 Stroop Ralf . . 5 Vorgias Constantin E. . 6 Wilson Keith S. . 7 Kaptein Robert . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 537 "13C chemical shifts" 418 "15N chemical shifts" 112 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1999-08-18 reformat BMRB 'format updated to NMR-STAR version 2.1' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Vis, H., Boelens, R., Mariani, M., Stroop, R., Vorgias, C. E., Wilson, K., and Kaptein, R., '1H, 13C, 15N Resonance Assignments and Secondary Structure Analysis of the HU Protein from Bacillus stearothermophilus Using Two- and Three-Dimensional Double- and Triple-Resonance Heteronuclear Magnetic Resonance Spectroscopy," Biochemistry 33, 14858-14870, (1994). ; _Citation_title ; 1H, 13C, 15N Resonance Assignments and Secondary Structure Analysis of the HU Protein from Bacillus stearothermophilus Using Two- and Three- Dimensional Double- and Triple-Resonance Heteronuclear Magnetic Resonance Spectroscopy ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 95086081 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vis Hans . . 2 Boelens Rolf . . 3 Mariani Matteo . . 4 Stroop Ralf . . 5 Vorgias Constantin E. . 6 Wilson Keith S. . 7 Kaptein Robert . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 33 _Journal_issue 49 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 14858 _Page_last 14870 _Year 1994 _Details . loop_ _Keyword NMR 'nuclear magnetic resonance' 'Histone-like protein' 'resonance assignments' 'HU Protein' stop_ save_ ################################## # Molecular system description # ################################## save_system_HUBst _Saveframe_category molecular_system _Mol_system_name 'HU protein' _Abbreviation_common HUBst _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HUBst $HUBst stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details ; HU protein binds non-specifically to both single and double-strnded DNA and to RNA. It is involved in transcription activation, in-site specific recombination, and in initiation of DNA replication. ; save_ ######################## # Monomeric polymers # ######################## save_HUBst _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'HU protein' _Name_variant HUBst _Abbreviation_common HUBst _Molecular_mass 19500 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 90 _Mol_residue_sequence ; MNKTELINAVAETSGLSKKD ATKAVDAVFDSITEALRKGD KVQLIGFGNFEVRERAARKG RNPQTGEEMEIPASKVPAFK PGKALKDAVK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ASN 3 3 LYS 4 4 THR 5 5 GLU 6 6 LEU 7 7 ILE 8 8 ASN 9 9 ALA 10 10 VAL 11 11 ALA 12 12 GLU 13 13 THR 14 14 SER 15 15 GLY 16 16 LEU 17 17 SER 18 18 LYS 19 19 LYS 20 20 ASP 21 21 ALA 22 22 THR 23 23 LYS 24 24 ALA 25 25 VAL 26 26 ASP 27 27 ALA 28 28 VAL 29 29 PHE 30 30 ASP 31 31 SER 32 32 ILE 33 33 THR 34 34 GLU 35 35 ALA 36 36 LEU 37 37 ARG 38 38 LYS 39 39 GLY 40 40 ASP 41 41 LYS 42 42 VAL 43 43 GLN 44 44 LEU 45 45 ILE 46 46 GLY 47 47 PHE 48 48 GLY 49 49 ASN 50 50 PHE 51 51 GLU 52 52 VAL 53 53 ARG 54 54 GLU 55 55 ARG 56 56 ALA 57 57 ALA 58 58 ARG 59 59 LYS 60 60 GLY 61 61 ARG 62 62 ASN 63 63 PRO 64 64 GLN 65 65 THR 66 66 GLY 67 67 GLU 68 68 GLU 69 69 MET 70 70 GLU 71 71 ILE 72 72 PRO 73 73 ALA 74 74 SER 75 75 LYS 76 76 VAL 77 77 PRO 78 78 ALA 79 79 PHE 80 80 LYS 81 81 PRO 82 82 GLY 83 83 LYS 84 84 ALA 85 85 LEU 86 86 LYS 87 87 ASP 88 88 ALA 89 89 VAL 90 90 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-11 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 1HUE "Histone-Like Protein" 100.00 90 100.00 100.00 1.24e-55 PDB 1HUU "Dna-Binding Protein Hu From Bacillus Stearothermophilus" 100.00 90 100.00 100.00 1.24e-55 DBJ BAA07273 "DNA binding protein HU [Geobacillus stearothermophilus]" 100.00 90 100.00 100.00 1.24e-55 DBJ BAD76500 "DNA-binding protein HU (DNA-binding protein II) [Geobacillus kaustophilus HTA426]" 100.00 90 100.00 100.00 1.24e-55 DBJ GAD12440 "DNA-binding protein HU [Geobacillus kaustophilus GBlys]" 100.00 90 100.00 100.00 1.24e-55 DBJ GAJ40216 "DNA-binding protein HU [Geobacillus caldoxylosilyticus NBRC 107762]" 100.00 90 98.89 100.00 5.32e-55 DBJ GAJ58439 "DNA-binding protein HU DNA-binding protein II [Geobacillus thermoleovorans B23]" 100.00 93 100.00 100.00 1.34e-55 GB AAA22532 "hubst, partial [Geobacillus stearothermophilus]" 100.00 90 100.00 100.00 1.24e-55 GB AAA22533 "hubcalx, partial [, partial [[Bacillus] caldotenax]" 100.00 90 100.00 100.00 1.24e-55 GB AAA22534 "hubcald, partial [, partial [[Bacillus] caldolyticus]" 100.00 90 100.00 100.00 1.24e-55 GB ABO67501 "DNA binding protein HU [Geobacillus thermodenitrificans NG80-2]" 100.00 90 100.00 100.00 1.24e-55 GB ACS24864 "histone family protein DNA-binding protein [Geobacillus sp. WCH70]" 100.00 90 97.78 100.00 2.39e-54 PRF 2106156A "DNA-binding protein HU" 101.11 90 97.80 97.80 2.41e-51 REF WP_015864289 "transcriptional regulator [Geobacillus sp. WCH70]" 100.00 90 97.78 100.00 2.39e-54 REF WP_017436779 "MULTISPECIES: transcriptional regulator [Geobacillus]" 100.00 90 98.89 100.00 5.32e-55 REF WP_020755319 "MULTISPECIES: DNA-binding protein HU [Bacillaceae]" 100.00 93 100.00 100.00 1.34e-55 REF WP_033013995 "MULTISPECIES: DNA-binding protein [Geobacillus]" 100.00 93 100.00 100.00 1.28e-55 REF WP_044731005 "DNA-binding protein [Geobacillus kaustophilus]" 100.00 93 98.89 98.89 5.88e-55 SP P0A3H0 "RecName: Full=DNA-binding protein HU; AltName: Full=DNA-binding protein II; AltName: Full=HB" 100.00 90 100.00 100.00 1.24e-55 SP P0A3H1 "RecName: Full=DNA-binding protein HU; AltName: Full=DNA-binding protein II; AltName: Full=HB" 100.00 90 100.00 100.00 1.24e-55 SP P0A3H2 "RecName: Full=DNA-binding protein HU; AltName: Full=DNA-binding protein II; AltName: Full=HB" 100.00 90 100.00 100.00 1.24e-55 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HUBst 'B. stearothermophilus' 1422 Eubacteria . Bacillus stearothermophilus 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 _Details $HUBst 'recombinant technology' . . . . . ; Cloning of the HU gene and overproduction os the protein were described by: Padas, P.M., Wilson, K.S. and Vorgias, C.E., (1992) Gene 117 39-44. ; stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HUBst 2.2 mM '[U-13C; U-15N]' D2O 5 % . H2O 95 % . 'Phosphate buffer' 50 mM . KCL 200 mM . stop_ save_ ############################# # Purity of the molecules # ############################# save_mol_purity_list _Saveframe_category sample_mol_purity _Sample_label $sample_one loop_ _Mol_label _Mol_purity_value _Mol_purity_value_units _Mol_purity_measurement_method $HUBst 95 % 'SDS-PAGE and silver staining' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX600 _Field_strength 600 _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.6 . na temperature 311 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 TSP H 1 'methyl protons' ppm 0 internal direct . . . TMS C 13 'methyl carbons' ppm 0 . . . . . NH4CL N 15 nitrogen ppm . . . . . . 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_assignment_HUBst _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chem_shift_reference _Mol_system_component_name HUBst _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 MET HA H 5.07 0.04 1 2 . 1 MET HB2 H 2.14 0.04 1 3 . 1 MET HB3 H 2.14 0.04 1 4 . 1 MET HG2 H 2.36 0.04 2 5 . 1 MET HG3 H 2.25 0.04 2 6 . 1 MET HE H 2.15 0.04 1 7 . 1 MET C C 169.8 0.2 1 8 . 1 MET CA C 53.00 0.2 1 9 . 1 MET CB C 28.8 0.2 1 10 . 1 MET CG C 32.2 0.2 1 11 . 1 MET CE C 15.9 0.2 1 12 . 2 ASN H H 8.97 0.04 1 13 . 2 ASN HA H 5.94 0.04 1 14 . 2 ASN HB2 H 3.69 0.04 2 15 . 2 ASN HB3 H 3.21 0.04 2 16 . 2 ASN HD21 H 7.57 0.04 2 17 . 2 ASN HD22 H 7.01 0.04 2 18 . 2 ASN C C 173.7 0.2 1 19 . 2 ASN CA C 49.00 0.2 1 20 . 2 ASN CB C 37.4 0.2 1 21 . 2 ASN CG C 173.9 0.2 1 22 . 2 ASN N N 129.2 0.2 1 23 . 2 ASN ND2 N 111.4 0.2 1 24 . 3 LYS H H 8.7 0.04 1 25 . 3 LYS HA H 3.95 0.04 1 26 . 3 LYS HB2 H 2.24 0.04 2 27 . 3 LYS HB3 H 2.11 0.04 2 28 . 3 LYS HG2 H 1.7 0.04 1 29 . 3 LYS HG3 H 1.7 0.04 1 30 . 3 LYS C C 175.5 0.2 1 31 . 3 LYS CA C 59.2 0.2 1 32 . 3 LYS CB C 31.3 0.2 1 33 . 3 LYS CG C 23.8 0.2 1 34 . 3 LYS N N 119.6 0.2 1 35 . 4 THR H H 7.98 0.04 1 36 . 4 THR HA H 3.99 0.04 1 37 . 4 THR HB H 4.37 0.04 1 38 . 4 THR HG2 H 1.38 0.04 1 39 . 4 THR C C 174.3 0.2 1 40 . 4 THR CA C 65.1 0.2 1 41 . 4 THR CB C 66.9 0.2 1 42 . 4 THR CG2 C 20.00 0.2 1 43 . 4 THR N N 116.2 0.2 1 44 . 5 GLU H H 8.43 0.04 1 45 . 5 GLU HA H 4.19 0.04 1 46 . 5 GLU HB2 H 2.18 0.04 1 47 . 5 GLU HB3 H 2.18 0.04 1 48 . 5 GLU HG2 H 2.67 0.04 1 49 . 5 GLU HG3 H 2.49 0.04 2 50 . 5 GLU C C 177.7 0.2 1 51 . 5 GLU CA C 57.3 0.2 1 52 . 5 GLU CB C 28.3 0.2 1 53 . 5 GLU CG C 35.00 0.2 1 54 . 5 GLU CD C 181.2 0.2 1 55 . 5 GLU N N 122.2 0.2 1 56 . 6 LEU H H 8.72 0.04 1 57 . 6 LEU HA H 4.44 0.04 1 58 . 6 LEU HB2 H 2.36 0.04 2 59 . 6 LEU HB3 H 1.65 0.04 2 60 . 6 LEU HG H 1.07 0.04 1 61 . 6 LEU HD1 H 1.16 0.04 1 62 . 6 LEU HD2 H 1.16 0.04 1 63 . 6 LEU C C 175.9 0.2 1 64 . 6 LEU CA C 56.6 0.2 1 65 . 6 LEU CB C 39.2 0.2 1 66 . 6 LEU CG C 25.7 0.2 1 67 . 6 LEU CD1 C 22.1 0.2 1 68 . 6 LEU CD2 C 22.1 0.2 1 69 . 6 LEU N N 124.7 0.2 1 70 . 7 ILE H H 8.69 0.04 1 71 . 7 ILE HA H 3.44 0.04 1 72 . 7 ILE HB H 2.14 0.04 1 73 . 7 ILE HG12 H 2.04 0.04 2 74 . 7 ILE HG13 H 0.94 0.04 2 75 . 7 ILE HG2 H 0.99 0.04 1 76 . 7 ILE HD1 H 1.14 0.04 1 77 . 7 ILE C C 175.5 0.2 1 78 . 7 ILE CA C 64.8 0.2 1 79 . 7 ILE CB C 35.8 0.2 1 80 . 7 ILE CG1 C 29.1 0.2 1 81 . 7 ILE CG2 C 15.8 0.2 1 82 . 7 ILE CD1 C 13.3 0.2 1 83 . 7 ILE N N 121.1 0.2 1 84 . 8 ASN H H 8.1 0.04 1 85 . 8 ASN HA H 4.47 0.04 1 86 . 8 ASN HB2 H 3.00 0.04 1 87 . 8 ASN HB3 H 3.00 0.04 1 88 . 8 ASN HD21 H 7.69 0.04 2 89 . 8 ASN HD22 H 6.89 0.04 2 90 . 8 ASN C C 175.6 0.2 1 91 . 8 ASN CA C 54.4 0.2 1 92 . 8 ASN CB C 35.8 0.2 1 93 . 8 ASN CG C 173.5 0.2 1 94 . 8 ASN N N 118.7 0.2 1 95 . 8 ASN ND2 N 111.6 0.2 1 96 . 9 ALA H H 8.22 0.04 1 97 . 9 ALA HA H 4.38 0.04 1 98 . 9 ALA HB H 1.69 0.04 1 99 . 9 ALA C C 178.7 0.2 1 100 . 9 ALA CA C 53.3 0.2 1 101 . 9 ALA CB C 15.7 0.2 1 102 . 9 ALA N N 124.9 0.2 1 103 . 10 VAL H H 8.97 0.04 1 104 . 10 VAL HA H 3.51 0.04 1 105 . 10 VAL HB H 2.34 0.04 1 106 . 10 VAL HG1 H 0.99 0.04 2 107 . 10 VAL HG2 H 0.91 0.04 2 108 . 10 VAL C C 177.7 0.2 1 109 . 10 VAL CA C 64.3 0.2 1 110 . 10 VAL CB C 29.4 0.2 1 111 . 10 VAL CG1 C 21.8 0.2 2 112 . 10 VAL CG2 C 18.00 0.2 2 113 . 10 VAL N N 121.3 0.2 1 114 . 11 ALA H H 9.08 0.04 1 115 . 11 ALA HA H 3.92 0.04 1 116 . 11 ALA HB H 1.54 0.04 1 117 . 11 ALA C C 176.8 0.2 1 118 . 11 ALA CA C 54.3 0.2 1 119 . 11 ALA CB C 15.6 0.2 1 120 . 11 ALA N N 127.8 0.2 1 121 . 12 GLU H H 8.14 0.04 1 122 . 12 GLU HA H 4.13 0.04 1 123 . 12 GLU HB2 H 2.3 0.04 2 124 . 12 GLU HB3 H 2.23 0.04 2 125 . 12 GLU HG2 H 2.5 0.04 1 126 . 12 GLU HG3 H 2.45 0.04 2 127 . 12 GLU C C 177.2 0.2 1 128 . 12 GLU CA C 57.4 0.2 1 129 . 12 GLU CB C 27.8 0.2 1 130 . 12 GLU CG C 33.8 0.2 1 131 . 12 GLU CD C 182.2 0.2 1 132 . 12 GLU N N 117.3 0.2 1 133 . 13 THR H H 8.23 0.04 1 134 . 13 THR HA H 4.24 0.04 1 135 . 13 THR HB H 4.21 0.04 1 136 . 13 THR HG2 H 1.41 0.04 1 137 . 13 THR C C 173.8 0.2 1 138 . 13 THR CA C 63.3 0.2 1 139 . 13 THR CB C 67.7 0.2 1 140 . 13 THR CG2 C 20.00 0.2 1 141 . 13 THR N N 113.00 0.2 1 142 . 14 SER H H 8.33 0.04 1 143 . 14 SER HA H 4.46 0.04 1 144 . 14 SER HB2 H 3.87 0.04 2 145 . 14 SER HB3 H 3.73 0.04 2 146 . 14 SER C C 172.8 0.2 1 147 . 14 SER CA C 58.1 0.2 1 148 . 14 SER CB C 63.3 0.2 1 149 . 14 SER N N 114.9 0.2 1 150 . 15 GLY H H 7.93 0.04 1 151 . 15 GLY HA2 H 4.27 0.04 2 152 . 15 GLY HA3 H 3.96 0.04 2 153 . 15 GLY C C 172.2 0.2 1 154 . 15 GLY CA C 43.9 0.2 1 155 . 15 GLY N N 112.00 0.2 1 156 . 16 LEU H H 7.75 0.04 1 157 . 16 LEU HA H 4.62 0.04 1 158 . 16 LEU HB2 H 1.72 0.04 2 159 . 16 LEU HB3 H 1.48 0.04 2 160 . 16 LEU HG H 1.7 0.04 1 161 . 16 LEU HD1 H 0.92 0.04 2 162 . 16 LEU HD2 H 0.76 0.04 2 163 . 16 LEU C C 174.5 0.2 1 164 . 16 LEU CA C 51.9 0.2 1 165 . 16 LEU CB C 42.5 0.2 1 166 . 16 LEU CG C 25.00 0.2 1 167 . 16 LEU CD1 C 20.8 0.2 2 168 . 16 LEU CD2 C 23.2 0.2 2 169 . 16 LEU N N 121.8 0.2 1 170 . 17 SER H H 9.06 0.04 1 171 . 17 SER HA H 4.49 0.04 1 172 . 17 SER HB2 H 4.48 0.04 2 173 . 17 SER HB3 H 4.25 0.04 2 174 . 17 SER C C 172.8 0.2 1 175 . 17 SER CA C 55.2 0.2 1 176 . 17 SER CB C 62.5 0.2 1 177 . 17 SER N N 115.8 0.2 1 178 . 18 LYS H H 8.97 0.04 1 179 . 18 LYS HA H 3.89 0.04 1 180 . 18 LYS HB2 H 2.01 0.04 2 181 . 18 LYS HB3 H 1.97 0.04 2 182 . 18 LYS HG2 H 1.63 0.04 2 183 . 18 LYS HG3 H 1.47 0.04 2 184 . 18 LYS HD2 H 1.83 0.04 1 185 . 18 LYS HD3 H 1.83 0.04 1 186 . 18 LYS HE2 H 3.14 0.04 1 187 . 18 LYS HE3 H 3.14 0.04 1 188 . 18 LYS C C 178.00 0.2 1 189 . 18 LYS CA C 58.9 0.2 1 190 . 18 LYS CB C 29.8 0.2 1 191 . 18 LYS CG C 23.9 0.2 1 192 . 18 LYS CD C 27.1 0.2 1 193 . 18 LYS CE C 40.00 0.2 1 194 . 18 LYS N N 122.5 0.2 1 195 . 19 LYS H H 8.56 0.04 1 196 . 19 LYS HA H 4.17 0.04 1 197 . 19 LYS HB2 H 2.00 0.04 2 198 . 19 LYS HB3 H 1.87 0.04 2 199 . 19 LYS HG2 H 1.66 0.04 2 200 . 19 LYS HG3 H 1.53 0.04 2 201 . 19 LYS HD2 H 1.85 0.04 1 202 . 19 LYS HD3 H 1.85 0.04 1 203 . 19 LYS HE2 H 3.14 0.04 1 204 . 19 LYS HE3 H 3.14 0.04 1 205 . 19 LYS C C 176.7 0.2 1 206 . 19 LYS CA C 58.00 0.2 1 207 . 19 LYS CB C 30.2 0.2 1 208 . 19 LYS CG C 22.6 0.2 1 209 . 19 LYS CD C 27.00 0.2 1 210 . 19 LYS CE C 40.2 0.2 1 211 . 19 LYS N N 121.9 0.2 1 212 . 20 ASP H H 7.85 0.04 1 213 . 20 ASP HA H 4.66 0.04 1 214 . 20 ASP HB2 H 2.89 0.04 2 215 . 20 ASP HB3 H 2.57 0.04 2 216 . 20 ASP C C 176.1 0.2 1 217 . 20 ASP CA C 55.5 0.2 1 218 . 20 ASP CB C 38.6 0.2 1 219 . 20 ASP CG C 175.9 0.2 1 220 . 20 ASP N N 122.6 0.2 1 221 . 21 ALA H H 9.27 0.04 1 222 . 21 ALA HA H 3.88 0.04 1 223 . 21 ALA HB H 1.45 0.04 1 224 . 21 ALA C C 176.6 0.2 1 225 . 21 ALA CA C 53.3 0.2 1 226 . 21 ALA CB C 16.7 0.2 1 227 . 21 ALA N N 123.1 0.2 1 228 . 22 THR H H 8.26 0.04 1 229 . 22 THR HA H 3.79 0.04 1 230 . 22 THR HB H 4.56 0.04 1 231 . 22 THR HG2 H 1.34 0.04 1 232 . 22 THR C C 176.6 0.2 1 233 . 22 THR CA C 65.6 0.2 1 234 . 22 THR CB C 67.1 0.2 1 235 . 22 THR CG2 C 18.5 0.2 1 236 . 22 THR N N 115.9 0.2 1 237 . 23 LYS H H 7.43 0.04 1 238 . 23 LYS HA H 4.23 0.04 1 239 . 23 LYS HB2 H 2.15 0.04 2 240 . 23 LYS HB3 H 1.88 0.04 2 241 . 23 LYS HG2 H 1.73 0.04 1 242 . 23 LYS HG3 H 1.73 0.04 1 243 . 23 LYS HD2 H 1.95 0.04 1 244 . 23 LYS HD3 H 1.95 0.04 1 245 . 23 LYS HE2 H 3.16 0.04 1 246 . 23 LYS HE3 H 3.16 0.04 1 247 . 23 LYS C C 177.8 0.2 1 248 . 23 LYS CA C 57.2 0.2 1 249 . 23 LYS CB C 30.6 0.2 1 250 . 23 LYS CG C 22.9 0.2 1 251 . 23 LYS CD C 27.5 0.2 1 252 . 23 LYS CE C 40.3 0.2 1 253 . 23 LYS N N 119.2 0.2 1 254 . 24 ALA H H 8.38 0.04 1 255 . 24 ALA HA H 3.95 0.04 1 256 . 24 ALA HB H 1.28 0.04 1 257 . 24 ALA C C 176.1 0.2 1 258 . 24 ALA CA C 53.3 0.2 1 259 . 24 ALA CB C 16.2 0.2 1 260 . 24 ALA N N 121.3 0.2 1 261 . 25 VAL H H 8.48 0.04 1 262 . 25 VAL HA H 3.28 0.04 1 263 . 25 VAL HB H 2.19 0.04 1 264 . 25 VAL HG1 H 1.07 0.04 2 265 . 25 VAL HG2 H 1.01 0.04 2 266 . 25 VAL C C 176.1 0.2 1 267 . 25 VAL CA C 65.9 0.2 1 268 . 25 VAL CB C 29.3 0.2 1 269 . 25 VAL CG1 C 22.4 0.2 2 270 . 25 VAL CG2 C 19.5 0.2 2 271 . 25 VAL N N 118.4 0.2 1 272 . 26 ASP H H 8.25 0.04 1 273 . 26 ASP HA H 4.61 0.04 1 274 . 26 ASP HB2 H 2.76 0.04 1 275 . 26 ASP HB3 H 2.76 0.04 1 276 . 26 ASP C C 176.3 0.2 1 277 . 26 ASP CA C 55.5 0.2 1 278 . 26 ASP CB C 37.2 0.2 1 279 . 26 ASP CG C 176.4 0.2 1 280 . 26 ASP N N 118.7 0.2 1 281 . 27 ALA H H 8.00 0.04 1 282 . 27 ALA HA H 4.38 0.04 1 283 . 27 ALA HB H 1.65 0.04 1 284 . 27 ALA C C 178.7 0.2 1 285 . 27 ALA CA C 52.8 0.2 1 286 . 27 ALA CB C 17.00 0.2 1 287 . 27 ALA N N 120.1 0.2 1 288 . 28 VAL H H 8.45 0.04 1 289 . 28 VAL HA H 3.33 0.04 1 290 . 28 VAL HB H 2.00 0.04 1 291 . 28 VAL HG1 H 1.00 0.04 2 292 . 28 VAL HG2 H 0.16 0.04 2 293 . 28 VAL C C 174.6 0.2 1 294 . 28 VAL CA C 65.1 0.2 1 295 . 28 VAL CB C 29.1 0.2 1 296 . 28 VAL CG1 C 22.9 0.2 2 297 . 28 VAL CG2 C 19.3 0.2 2 298 . 28 VAL N N 123.4 0.2 1 299 . 29 PHE H H 7.13 0.04 1 300 . 29 PHE HA H 3.9 0.04 1 301 . 29 PHE HB2 H 2.95 0.04 2 302 . 29 PHE HB3 H 2.88 0.04 2 303 . 29 PHE HD1 H 6.41 0.04 1 304 . 29 PHE HD2 H 6.41 0.04 1 305 . 29 PHE HE1 H 6.7 0.04 1 306 . 29 PHE HE2 H 6.7 0.04 1 307 . 29 PHE HZ H 6.59 0.04 1 308 . 29 PHE C C 177.2 0.2 1 309 . 29 PHE CA C 60.4 0.2 1 310 . 29 PHE CB C 35.3 0.2 1 311 . 29 PHE CD1 C 129.6 0.2 1 312 . 29 PHE CD2 C 129.6 0.2 1 313 . 29 PHE CE1 C 127.7 0.2 1 314 . 29 PHE CE2 C 127.7 0.2 1 315 . 29 PHE CZ C 126.8 0.2 1 316 . 29 PHE N N 117.1 0.2 1 317 . 30 ASP H H 9.16 0.04 1 318 . 30 ASP HA H 4.67 0.04 1 319 . 30 ASP HB2 H 2.91 0.04 2 320 . 30 ASP HB3 H 2.82 0.04 2 321 . 30 ASP C C 177.00 0.2 1 322 . 30 ASP CA C 55.8 0.2 1 323 . 30 ASP CB C 38.1 0.2 1 324 . 30 ASP CG C 176.5 0.2 1 325 . 30 ASP N N 124.6 0.2 1 326 . 31 SER H H 8.28 0.04 1 327 . 31 SER HA H 4.34 0.04 1 328 . 31 SER HB2 H 4.12 0.04 2 329 . 31 SER HB3 H 3.67 0.04 2 330 . 31 SER C C 174.8 0.2 1 331 . 31 SER CA C 61.2 0.2 1 332 . 31 SER CB C 61.00 0.2 1 333 . 31 SER N N 117.4 0.2 1 334 . 32 ILE H H 7.97 0.04 1 335 . 32 ILE HA H 3.71 0.04 1 336 . 32 ILE HB H 1.83 0.04 1 337 . 32 ILE HG12 H 0.84 0.04 1 338 . 32 ILE HG13 H 0.84 0.04 1 339 . 32 ILE HG2 H 0.66 0.04 1 340 . 32 ILE HD1 H 0.57 0.04 1 341 . 32 ILE C C 174.6 0.2 1 342 . 32 ILE CA C 64.3 0.2 1 343 . 32 ILE CB C 36.4 0.2 1 344 . 32 ILE CG1 C 27.3 0.2 1 345 . 32 ILE CG2 C 14.2 0.2 1 346 . 32 ILE CD1 C 11.3 0.2 1 347 . 32 ILE N N 123.1 0.2 1 348 . 33 THR H H 8.14 0.04 1 349 . 33 THR HA H 4.39 0.04 1 350 . 33 THR HB H 3.99 0.04 1 351 . 33 THR HG2 H 1.37 0.04 1 352 . 33 THR C C 173.2 0.2 1 353 . 33 THR CA C 66.8 0.2 1 354 . 33 THR CB C 65.1 0.2 1 355 . 33 THR CG2 C 20.1 0.2 1 356 . 33 THR N N 117.2 0.2 1 357 . 34 GLU H H 8.25 0.04 1 358 . 34 GLU HA H 4.18 0.04 1 359 . 34 GLU HB2 H 2.22 0.04 2 360 . 34 GLU HB3 H 2.17 0.04 2 361 . 34 GLU HG2 H 2.55 0.04 1 362 . 34 GLU HG3 H 2.43 0.04 2 363 . 34 GLU C C 176.00 0.2 1 364 . 34 GLU CA C 56.8 0.2 1 365 . 34 GLU CB C 27.3 0.2 1 366 . 34 GLU CG C 33.3 0.2 1 367 . 34 GLU CD C 181.3 0.2 1 368 . 34 GLU N N 120.4 0.2 1 369 . 35 ALA H H 7.86 0.04 1 370 . 35 ALA HA H 4.24 0.04 1 371 . 35 ALA HB H 1.56 0.04 1 372 . 35 ALA C C 177.6 0.2 1 373 . 35 ALA CA C 53.4 0.2 1 374 . 35 ALA CB C 16.4 0.2 1 375 . 35 ALA N N 122.6 0.2 1 376 . 36 LEU H H 8.06 0.04 1 377 . 36 LEU HA H 4.38 0.04 1 378 . 36 LEU HB2 H 2.00 0.04 2 379 . 36 LEU HB3 H 1.39 0.04 2 380 . 36 LEU HG H 2.14 0.04 1 381 . 36 LEU HD1 H 1.03 0.04 2 382 . 36 LEU HD2 H 0.96 0.04 2 383 . 36 LEU C C 178.9 0.2 1 384 . 36 LEU CA C 55.7 0.2 1 385 . 36 LEU CB C 39.1 0.2 1 386 . 36 LEU CG C 24.9 0.2 1 387 . 36 LEU CD1 C 20.3 0.2 2 388 . 36 LEU CD2 C 24.1 0.2 2 389 . 36 LEU N N 117.8 0.2 1 390 . 37 ARG H H 8.82 0.04 1 391 . 37 ARG HA H 4.05 0.04 1 392 . 37 ARG HB2 H 2.11 0.04 1 393 . 37 ARG HB3 H 2.11 0.04 1 394 . 37 ARG HG2 H 1.75 0.04 1 395 . 37 ARG HG3 H 1.75 0.04 1 396 . 37 ARG HD2 H 3.4 0.04 1 397 . 37 ARG HD3 H 3.4 0.04 1 398 . 37 ARG HE H 7.8 0.04 1 399 . 37 ARG C C 175.9 0.2 1 400 . 37 ARG CA C 57.8 0.2 1 401 . 37 ARG CB C 28.6 0.2 1 402 . 37 ARG CG C 25.00 0.2 1 403 . 37 ARG CD C 41.8 0.2 1 404 . 37 ARG CZ C 158.00 0.2 1 405 . 37 ARG N N 123.2 0.2 1 406 . 37 ARG NE N 84.8 0.2 1 407 . 37 ARG NH1 N 72.7 0.2 1 408 . 37 ARG NH2 N 72.7 0.2 1 409 . 38 LYS H H 7.6 0.04 1 410 . 38 LYS HA H 4.48 0.04 1 411 . 38 LYS HB2 H 2.14 0.04 1 412 . 38 LYS HB3 H 2.14 0.04 1 413 . 38 LYS HG2 H 1.58 0.04 1 414 . 38 LYS HG3 H 1.58 0.04 1 415 . 38 LYS HD2 H 1.83 0.04 1 416 . 38 LYS HD3 H 1.83 0.04 1 417 . 38 LYS HE2 H 3.15 0.04 1 418 . 38 LYS HE3 H 3.15 0.04 1 419 . 38 LYS C C 174.9 0.2 1 420 . 38 LYS CA C 54.5 0.2 1 421 . 38 LYS CB C 30.5 0.2 1 422 . 38 LYS CG C 22.6 0.2 1 423 . 38 LYS CD C 27.1 0.2 1 424 . 38 LYS CE C 40.3 0.2 1 425 . 38 LYS N N 116.2 0.2 1 426 . 39 GLY H H 8.17 0.04 1 427 . 39 GLY HA2 H 4.37 0.04 2 428 . 39 GLY HA3 H 3.82 0.04 2 429 . 39 GLY C C 172.2 0.2 1 430 . 39 GLY CA C 43.5 0.2 1 431 . 39 GLY N N 109.3 0.2 1 432 . 40 ASP H H 8.31 0.04 1 433 . 40 ASP HA H 4.94 0.04 1 434 . 40 ASP HB2 H 2.72 0.04 1 435 . 40 ASP HB3 H 2.72 0.04 1 436 . 40 ASP C C 172.6 0.2 1 437 . 40 ASP CA C 50.8 0.2 1 438 . 40 ASP CB C 40.5 0.2 1 439 . 40 ASP CG C 178.7 0.2 1 440 . 40 ASP N N 122.4 0.2 1 441 . 41 LYS H H 8.28 0.04 1 442 . 41 LYS HA H 4.93 0.04 1 443 . 41 LYS HB2 H 1.98 0.04 2 444 . 41 LYS HB3 H 1.93 0.04 2 445 . 41 LYS HG2 H 1.67 0.04 2 446 . 41 LYS HG3 H 1.57 0.04 2 447 . 41 LYS HD2 H 1.82 0.04 1 448 . 41 LYS HD3 H 1.82 0.04 1 449 . 41 LYS HE2 H 3.12 0.04 1 450 . 41 LYS HE3 H 3.12 0.04 1 451 . 41 LYS C C 174.00 0.2 1 452 . 41 LYS CA C 53.1 0.2 1 453 . 41 LYS CB C 32.9 0.2 1 454 . 41 LYS CG C 23.00 0.2 1 455 . 41 LYS CD C 27.7 0.2 1 456 . 41 LYS CE C 40.3 0.2 1 457 . 41 LYS N N 119.3 0.2 1 458 . 42 VAL H H 9.08 0.04 1 459 . 42 VAL HA H 5.02 0.04 1 460 . 42 VAL HB H 2.48 0.04 1 461 . 42 VAL HG1 H 1.15 0.04 2 462 . 42 VAL HG2 H 1.06 0.04 2 463 . 42 VAL C C 172.8 0.2 1 464 . 42 VAL CA C 59.6 0.2 1 465 . 42 VAL CB C 31.2 0.2 1 466 . 42 VAL CG1 C 19.5 0.2 2 467 . 42 VAL CG2 C 18.7 0.2 2 468 . 42 VAL N N 123.9 0.2 1 469 . 43 GLN H H 8.95 0.04 1 470 . 43 GLN HA H 5.05 0.04 1 471 . 43 GLN HB2 H 2.14 0.04 1 472 . 43 GLN HB3 H 2.14 0.04 1 473 . 43 GLN HG2 H 2.36 0.04 2 474 . 43 GLN HG3 H 2.25 0.04 2 475 . 43 GLN HE21 H 7.49 0.04 2 476 . 43 GLN HE22 H 6.97 0.04 2 477 . 43 GLN C C 172.3 0.2 1 478 . 43 GLN CA C 52.9 0.2 1 479 . 43 GLN CB C 28.9 0.2 1 480 . 43 GLN CG C 32.2 0.2 1 481 . 43 GLN CD C 178.4 0.2 1 482 . 43 GLN N N 128.9 0.2 1 483 . 43 GLN NE2 N 112.6 0.2 1 484 . 44 LEU H H 8.3 0.04 1 485 . 44 LEU HA H 4.89 0.04 1 486 . 44 LEU HB2 H 2.57 0.04 2 487 . 44 LEU HB3 H 1.22 0.04 2 488 . 44 LEU HG H 1.66 0.04 1 489 . 44 LEU HD1 H 0.7 0.04 2 490 . 44 LEU HD2 H 0.61 0.04 2 491 . 44 LEU C C 173.9 0.2 1 492 . 44 LEU CA C 50.4 0.2 1 493 . 44 LEU CB C 39.9 0.2 1 494 . 44 LEU CG C 24.3 0.2 1 495 . 44 LEU CD1 C 21.00 0.2 2 496 . 44 LEU CD2 C 24.00 0.2 2 497 . 44 LEU N N 126.00 0.2 1 498 . 45 ILE H H 8.47 0.04 1 499 . 45 ILE HA H 4.11 0.04 1 500 . 45 ILE HB H 2.09 0.04 1 501 . 45 ILE HG12 H 1.73 0.04 2 502 . 45 ILE HG13 H 1.45 0.04 2 503 . 45 ILE HG2 H 1.14 0.04 1 504 . 45 ILE HD1 H 1.1 0.04 1 505 . 45 ILE C C 174.4 0.2 1 506 . 45 ILE CA C 61.1 0.2 1 507 . 45 ILE CB C 35.5 0.2 1 508 . 45 ILE CG1 C 26.3 0.2 1 509 . 45 ILE CG2 C 15.1 0.2 1 510 . 45 ILE CD1 C 11.2 0.2 1 511 . 45 ILE N N 128.1 0.2 1 512 . 46 GLY H H 8.91 0.04 1 513 . 46 GLY HA2 H 4.49 0.04 2 514 . 46 GLY HA3 H 3.86 0.04 2 515 . 46 GLY C C 171.3 0.2 1 516 . 46 GLY CA C 43.9 0.2 1 517 . 46 GLY N N 117.5 0.2 1 518 . 47 PHE H H 8.23 0.04 1 519 . 47 PHE HA H 4.7 0.04 1 520 . 47 PHE HB2 H 2.96 0.04 2 521 . 47 PHE HB3 H 2.7 0.04 2 522 . 47 PHE HD1 H 7.26 0.04 1 523 . 47 PHE HD2 H 7.26 0.04 1 524 . 47 PHE HE1 H 7.18 0.04 1 525 . 47 PHE HE2 H 7.18 0.04 1 526 . 47 PHE HZ H 6.52 0.04 1 527 . 47 PHE C C 175.5 0.2 1 528 . 47 PHE CA C 59.1 0.2 1 529 . 47 PHE CB C 39.2 0.2 1 530 . 47 PHE CD1 C 130.3 0.2 1 531 . 47 PHE CD2 C 130.3 0.2 1 532 . 47 PHE CE1 C 129.8 0.2 1 533 . 47 PHE CE2 C 129.8 0.2 1 534 . 47 PHE CZ C 126.8 0.2 1 535 . 47 PHE N N 122.4 0.2 1 536 . 48 GLY H H 8.5 0.04 1 537 . 48 GLY HA2 H 4.3 0.04 2 538 . 48 GLY HA3 H 3.69 0.04 2 539 . 48 GLY C C 168.4 0.2 1 540 . 48 GLY CA C 43.6 0.2 1 541 . 48 GLY N N 107.5 0.2 1 542 . 49 ASN H H 7.83 0.04 1 543 . 49 ASN HA H 6.15 0.04 1 544 . 49 ASN HB2 H 2.77 0.04 2 545 . 49 ASN HB3 H 2.57 0.04 2 546 . 49 ASN HD21 H 7.33 0.04 2 547 . 49 ASN HD22 H 6.79 0.04 2 548 . 49 ASN C C 172.9 0.2 1 549 . 49 ASN CA C 48.7 0.2 1 550 . 49 ASN CB C 39.2 0.2 1 551 . 49 ASN CG C 173.7 0.2 1 552 . 49 ASN N N 115.3 0.2 1 553 . 49 ASN ND2 N 111.2 0.2 1 554 . 50 PHE H H 9.79 0.04 1 555 . 50 PHE HA H 5.83 0.04 1 556 . 50 PHE HB2 H 3.24 0.04 2 557 . 50 PHE HB3 H 3.17 0.04 2 558 . 50 PHE HD1 H 7.23 0.04 1 559 . 50 PHE HD2 H 7.23 0.04 1 560 . 50 PHE HE1 H 6.74 0.04 1 561 . 50 PHE HE2 H 6.74 0.04 1 562 . 50 PHE HZ H 7.2 0.04 1 563 . 50 PHE C C 172.5 0.2 1 564 . 50 PHE CA C 54.7 0.2 1 565 . 50 PHE CB C 40.5 0.2 1 566 . 50 PHE CD1 C 130.4 0.2 1 567 . 50 PHE CD2 C 130.4 0.2 1 568 . 50 PHE CE1 C 129.00 0.2 1 569 . 50 PHE CE2 C 129.00 0.2 1 570 . 50 PHE CZ C 126.7 0.2 1 571 . 50 PHE N N 120.6 0.2 1 572 . 51 GLU H H 9.18 0.04 1 573 . 51 GLU HA H 5.00 0.04 1 574 . 51 GLU HB2 H 2.24 0.04 2 575 . 51 GLU HB3 H 2.11 0.04 2 576 . 51 GLU HG2 H 2.02 0.04 1 577 . 51 GLU HG3 H 2.02 0.04 1 578 . 51 GLU C C 171.5 0.2 1 579 . 51 GLU CA C 52.4 0.2 1 580 . 51 GLU CB C 31.8 0.2 1 581 . 51 GLU CG C 33.00 0.2 1 582 . 51 GLU CD C 180.7 0.2 1 583 . 51 GLU N N 119.9 0.2 1 584 . 52 VAL H H 9.12 0.04 1 585 . 52 VAL HA H 4.69 0.04 1 586 . 52 VAL HB H 2.17 0.04 1 587 . 52 VAL HG1 H 1.17 0.04 2 588 . 52 VAL HG2 H 0.99 0.04 2 589 . 52 VAL C C 173.7 0.2 1 590 . 52 VAL CA C 60.2 0.2 1 591 . 52 VAL CB C 30.7 0.2 1 592 . 52 VAL CG1 C 20.9 0.2 2 593 . 52 VAL CG2 C 20.3 0.2 2 594 . 52 VAL N N 121.1 0.2 1 595 . 53 ARG H H 9.11 0.04 1 596 . 53 ARG HA H 4.83 0.04 1 597 . 53 ARG HB2 H 1.97 0.04 2 598 . 53 ARG HB3 H 1.79 0.04 2 599 . 53 ARG HG2 H 1.67 0.04 1 600 . 53 ARG HG3 H 1.67 0.04 1 601 . 53 ARG HD2 H 3.27 0.04 1 602 . 53 ARG HD3 H 3.27 0.04 1 603 . 53 ARG HE H 7.41 0.04 1 604 . 53 ARG C C 172.8 0.2 1 605 . 53 ARG CA C 52.4 0.2 1 606 . 53 ARG CB C 30.5 0.2 1 607 . 53 ARG CG C 25.00 0.2 1 608 . 53 ARG CD C 41.3 0.2 1 609 . 53 ARG CZ C 157.9 0.2 1 610 . 53 ARG N N 128.4 0.2 1 611 . 53 ARG NE N 85.8 0.2 1 612 . 53 ARG NH1 N 72.8 0.2 1 613 . 53 ARG NH2 N 72.8 0.2 1 614 . 54 GLU H H 8.8 0.04 1 615 . 54 GLU HA H 4.92 0.04 1 616 . 54 GLU HB2 H 2.14 0.04 2 617 . 54 GLU HB3 H 2.03 0.04 2 618 . 54 GLU HG2 H 2.31 0.04 1 619 . 54 GLU HG3 H 2.22 0.04 2 620 . 54 GLU C C 173.8 0.2 1 621 . 54 GLU CA C 53.7 0.2 1 622 . 54 GLU CB C 29.3 0.2 1 623 . 54 GLU CG C 34.4 0.2 1 624 . 54 GLU CD C 180.8 0.2 1 625 . 54 GLU N N 124.7 0.2 1 626 . 55 ARG H H 9.02 0.04 1 627 . 55 ARG HA H 4.66 0.04 1 628 . 55 ARG HB2 H 1.99 0.04 2 629 . 55 ARG HB3 H 1.85 0.04 2 630 . 55 ARG HG2 H 1.76 0.04 1 631 . 55 ARG HG3 H 1.76 0.04 1 632 . 55 ARG HD2 H 3.31 0.04 1 633 . 55 ARG HD3 H 3.31 0.04 1 634 . 55 ARG HE H 7.18 0.04 1 635 . 55 ARG C C 173.1 0.2 1 636 . 55 ARG CA C 52.9 0.2 1 637 . 55 ARG CB C 29.6 0.2 1 638 . 55 ARG CG C 24.9 0.2 1 639 . 55 ARG CD C 41.8 0.2 1 640 . 55 ARG CZ C 157.7 0.2 1 641 . 55 ARG N N 127.7 0.2 1 642 . 55 ARG NE N 85.7 0.2 1 643 . 55 ARG NH1 N 72.9 0.2 1 644 . 55 ARG NH2 N 72.9 0.2 1 645 . 56 ALA H H 8.4 0.04 1 646 . 56 ALA HA H 4.43 0.04 1 647 . 56 ALA HB H 1.57 0.04 1 648 . 56 ALA C C 175.7 0.2 1 649 . 56 ALA CA C 50.00 0.2 1 650 . 56 ALA CB C 17.7 0.2 1 651 . 56 ALA N N 127.4 0.2 1 652 . 57 ALA H H 8.59 0.04 1 653 . 57 ALA HA H 4.5 0.04 1 654 . 57 ALA HB H 1.53 0.04 1 655 . 57 ALA C C 175.5 0.2 1 656 . 57 ALA CA C 50.7 0.2 1 657 . 57 ALA CB C 17.5 0.2 1 658 . 57 ALA N N 124.3 0.2 1 659 . 58 ARG H H 8.69 0.04 1 660 . 58 ARG HA H 4.84 0.04 1 661 . 58 ARG HB2 H 1.98 0.04 2 662 . 58 ARG HB3 H 1.89 0.04 2 663 . 58 ARG HG2 H 1.74 0.04 2 664 . 58 ARG HG3 H 1.61 0.04 2 665 . 58 ARG HD2 H 3.32 0.04 1 666 . 58 ARG HD3 H 3.32 0.04 1 667 . 58 ARG HE H 7.26 0.04 1 668 . 58 ARG C C 172.4 0.2 1 669 . 58 ARG CA C 52.9 0.2 1 670 . 58 ARG CB C 31.2 0.2 1 671 . 58 ARG CG C 24.5 0.2 1 672 . 58 ARG CD C 41.8 0.2 1 673 . 58 ARG CZ C 157.7 0.2 1 674 . 58 ARG N N 119.7 0.2 1 675 . 58 ARG NE N 86.7 0.2 1 676 . 58 ARG NH1 N 72.7 0.2 1 677 . 58 ARG NH2 N 72.7 0.2 1 678 . 59 LYS H H 8.51 0.04 1 679 . 59 LYS HA H 4.99 0.04 1 680 . 59 LYS HB2 H 1.91 0.04 1 681 . 59 LYS HB3 H 1.91 0.04 1 682 . 59 LYS HG2 H 1.59 0.04 2 683 . 59 LYS HG3 H 1.53 0.04 2 684 . 59 LYS HD2 H 1.76 0.04 1 685 . 59 LYS HD3 H 1.76 0.04 1 686 . 59 LYS HE2 H 3.09 0.04 1 687 . 59 LYS HE3 H 3.09 0.04 1 688 . 59 LYS C C 174.6 0.2 1 689 . 59 LYS CA C 53.7 0.2 1 690 . 59 LYS CB C 31.7 0.2 1 691 . 59 LYS CG C 22.8 0.2 1 692 . 59 LYS CD C 26.9 0.2 1 693 . 59 LYS CE C 40.2 0.2 1 694 . 59 LYS N N 121.9 0.2 1 695 . 59 LYS NZ N 33.7 0.2 1 696 . 60 GLY H H 8.72 0.04 1 697 . 60 GLY HA2 H 4.54 0.04 2 698 . 60 GLY HA3 H 3.85 0.04 2 699 . 60 GLY C C 170.6 0.2 1 700 . 60 GLY CA C 42.7 0.2 1 701 . 60 GLY N N 112.00 0.2 1 702 . 61 ARG H H 8.51 0.04 1 703 . 61 ARG HA H 4.89 0.04 1 704 . 61 ARG HB2 H 1.74 0.04 2 705 . 61 ARG HB3 H 1.65 0.04 2 706 . 61 ARG HG2 H 1.58 0.04 2 707 . 61 ARG HG3 H 1.48 0.04 2 708 . 61 ARG HD2 H 3.25 0.04 1 709 . 61 ARG HD3 H 3.25 0.04 1 710 . 61 ARG HE H 7.31 0.04 1 711 . 61 ARG C C 173.4 0.2 1 712 . 61 ARG CA C 52.8 0.2 1 713 . 61 ARG CB C 30.6 0.2 1 714 . 61 ARG CG C 25.2 0.2 1 715 . 61 ARG CD C 41.3 0.2 1 716 . 61 ARG CZ C 157.8 0.2 1 717 . 61 ARG N N 121.4 0.2 1 718 . 61 ARG NE N 85.6 0.2 1 719 . 61 ARG NH1 N 72.6 0.2 1 720 . 61 ARG NH2 N 72.6 0.2 1 721 . 62 ASN H H 9.09 0.04 1 722 . 62 ASN HA H 5.00 0.04 1 723 . 62 ASN HB2 H 3.27 0.04 2 724 . 62 ASN HB3 H 2.87 0.04 2 725 . 62 ASN HD21 H 7.75 0.04 2 726 . 62 ASN HD22 H 7.43 0.04 2 727 . 62 ASN C C 173.2 0.2 1 728 . 62 ASN CA C 49.3 0.2 1 729 . 62 ASN CB C 37.7 0.2 1 730 . 62 ASN CG C 175.2 0.2 1 731 . 62 ASN N N 126.5 0.2 1 732 . 62 ASN ND2 N 116.2 0.2 1 733 . 63 PRO HA H 4.49 0.04 1 734 . 63 PRO HB2 H 2.49 0.04 1 735 . 63 PRO HB3 H 2.49 0.04 1 736 . 63 PRO HG2 H 2.21 0.04 2 737 . 63 PRO HG3 H 2.15 0.04 2 738 . 63 PRO HD2 H 4.2 0.04 2 739 . 63 PRO HD3 H 3.96 0.04 2 740 . 63 PRO C C 174.4 0.2 1 741 . 63 PRO CA C 62.5 0.2 1 742 . 63 PRO CB C 30.2 0.2 1 743 . 63 PRO CG C 25.2 0.2 1 744 . 63 PRO CD C 49.00 0.2 1 745 . 63 PRO N N 126.8 0.2 1 746 . 64 GLN H H 8.41 0.04 1 747 . 64 GLN HA H 4.5 0.04 1 748 . 64 GLN HB2 H 2.32 0.04 1 749 . 64 GLN HB3 H 2.32 0.04 1 750 . 64 GLN HG2 H 2.54 0.04 1 751 . 64 GLN HG3 H 2.54 0.04 1 752 . 64 GLN HE21 H 7.6 0.04 2 753 . 64 GLN HE22 H 6.92 0.04 2 754 . 64 GLN C C 175.5 0.2 1 755 . 64 GLN CA C 55.8 0.2 1 756 . 64 GLN CB C 27.8 0.2 1 757 . 64 GLN CG C 32.7 0.2 1 758 . 64 GLN N N 116.9 0.2 1 759 . 64 GLN NE2 N 112.8 0.2 1 760 . 65 THR H H 7.65 0.04 1 761 . 65 THR HA H 4.6 0.04 1 762 . 65 THR HB H 4.52 0.04 1 763 . 65 THR HG2 H 1.28 0.04 1 764 . 65 THR C C 174.4 0.2 1 765 . 65 THR CA C 59.4 0.2 1 766 . 65 THR CB C 69.00 0.2 1 767 . 65 THR CG2 C 19.3 0.2 1 768 . 65 THR N N 107.2 0.2 1 769 . 66 GLY H H 8.59 0.04 1 770 . 66 GLY HA2 H 4.35 0.04 2 771 . 66 GLY HA3 H 3.83 0.04 2 772 . 66 GLY C C 171.7 0.2 1 773 . 66 GLY CA C 43.7 0.2 1 774 . 66 GLY N N 111.8 0.2 1 775 . 67 GLU H H 7.87 0.04 1 776 . 67 GLU HA H 4.41 0.04 1 777 . 67 GLU HB2 H 2.2 0.04 2 778 . 67 GLU HB3 H 1.99 0.04 2 779 . 67 GLU HG2 H 2.39 0.04 1 780 . 67 GLU HG3 H 2.39 0.04 1 781 . 67 GLU C C 173.9 0.2 1 782 . 67 GLU CA C 54.2 0.2 1 783 . 67 GLU CB C 29.3 0.2 1 784 . 67 GLU CG C 34.3 0.2 1 785 . 67 GLU CD C 181.8 0.2 1 786 . 67 GLU N N 120.7 0.2 1 787 . 68 GLU H H 8.81 0.04 1 788 . 68 GLU HA H 4.65 0.04 1 789 . 68 GLU HB2 H 2.11 0.04 1 790 . 68 GLU HB3 H 2.11 0.04 1 791 . 68 GLU HG2 H 2.46 0.04 1 792 . 68 GLU HG3 H 2.33 0.04 2 793 . 68 GLU C C 173.7 0.2 1 794 . 68 GLU CA C 55.3 0.2 1 795 . 68 GLU CB C 28.6 0.2 1 796 . 68 GLU CG C 34.8 0.2 1 797 . 68 GLU CD C 181.1 0.2 1 798 . 68 GLU N N 123.5 0.2 1 799 . 69 MET H H 8.59 0.04 1 800 . 69 MET HA H 4.84 0.04 1 801 . 69 MET HB2 H 2.06 0.04 1 802 . 69 MET HB3 H 2.06 0.04 1 803 . 69 MET HG2 H 2.48 0.04 1 804 . 69 MET HG3 H 2.48 0.04 1 805 . 69 MET HE H 2.18 0.04 1 806 . 69 MET C C 172.00 0.2 1 807 . 69 MET CA C 52.4 0.2 1 808 . 69 MET CB C 33.7 0.2 1 809 . 69 MET CG C 29.1 0.2 1 810 . 69 MET CE C 15.2 0.2 1 811 . 69 MET N N 123.00 0.2 1 812 . 70 GLU H H 8.66 0.04 1 813 . 70 GLU HA H 4.69 0.04 1 814 . 70 GLU HB2 H 2.1 0.04 2 815 . 70 GLU HB3 H 2.02 0.04 2 816 . 70 GLU HG2 H 2.29 0.04 1 817 . 70 GLU HG3 H 2.2 0.04 2 818 . 70 GLU C C 173.4 0.2 1 819 . 70 GLU CA C 54.1 0.2 1 820 . 70 GLU CB C 29.00 0.2 1 821 . 70 GLU CG C 33.9 0.2 1 822 . 70 GLU CD C 181.8 0.2 1 823 . 70 GLU N N 123.6 0.2 1 824 . 71 ILE H H 9.02 0.04 1 825 . 71 ILE HA H 4.65 0.04 1 826 . 71 ILE HB H 1.98 0.04 1 827 . 71 ILE HG12 H 1.56 0.04 2 828 . 71 ILE HG13 H 1.25 0.04 2 829 . 71 ILE HG2 H 1.09 0.04 1 830 . 71 ILE HD1 H 0.91 0.04 1 831 . 71 ILE C C 175.5 0.2 1 832 . 71 ILE CA C 56.3 0.2 1 833 . 71 ILE CB C 36.7 0.2 1 834 . 71 ILE CG1 C 25.3 0.2 1 835 . 71 ILE CG2 C 15.1 0.2 1 836 . 71 ILE CD1 C 10.8 0.2 1 837 . 71 ILE N N 129.6 0.2 1 838 . 72 PRO HA H 4.61 0.04 1 839 . 72 PRO HB2 H 2.49 0.04 1 840 . 72 PRO HB3 H 2.49 0.04 1 841 . 72 PRO HG2 H 2.12 0.04 1 842 . 72 PRO HG3 H 2.12 0.04 1 843 . 72 PRO HD2 H 4.04 0.04 2 844 . 72 PRO HD3 H 3.85 0.04 2 845 . 72 PRO C C 175.7 0.2 1 846 . 72 PRO CA C 60.6 0.2 1 847 . 72 PRO CB C 30.8 0.2 1 848 . 72 PRO CG C 25.2 0.2 1 849 . 72 PRO CD C 49.3 0.2 1 850 . 72 PRO N N 129.9 0.2 1 851 . 73 ALA H H 8.6 0.04 1 852 . 73 ALA HA H 4.48 0.04 1 853 . 73 ALA HB H 1.57 0.04 1 854 . 73 ALA C C 175.6 0.2 1 855 . 73 ALA CA C 50.6 0.2 1 856 . 73 ALA CB C 17.4 0.2 1 857 . 73 ALA N N 124.3 0.2 1 858 . 74 SER H H 8.56 0.04 1 859 . 74 SER HA H 4.87 0.04 1 860 . 74 SER HB2 H 3.96 0.04 2 861 . 74 SER HB3 H 3.89 0.04 2 862 . 74 SER C C 171.2 0.2 1 863 . 74 SER CA C 55.4 0.2 1 864 . 74 SER CB C 64.1 0.2 1 865 . 74 SER N N 115.00 0.2 1 866 . 75 LYS H H 8.58 0.04 1 867 . 75 LYS HA H 5.14 0.04 1 868 . 75 LYS HB2 H 1.89 0.04 2 869 . 75 LYS HB3 H 1.62 0.04 2 870 . 75 LYS HG2 H 1.6 0.04 2 871 . 75 LYS HG3 H 1.39 0.04 2 872 . 75 LYS HD2 H 1.83 0.04 1 873 . 75 LYS HD3 H 1.83 0.04 1 874 . 75 LYS HE2 H 3.13 0.04 1 875 . 75 LYS HE3 H 3.13 0.04 1 876 . 75 LYS C C 173.9 0.2 1 877 . 75 LYS CA C 53.9 0.2 1 878 . 75 LYS CB C 32.7 0.2 1 879 . 75 LYS CG C 23.4 0.2 1 880 . 75 LYS CD C 27.4 0.2 1 881 . 75 LYS CE C 40.2 0.2 1 882 . 75 LYS N N 123.7 0.2 1 883 . 76 VAL H H 8.94 0.04 1 884 . 76 VAL HA H 5.02 0.04 1 885 . 76 VAL HB H 2.23 0.04 1 886 . 76 VAL HG1 H 1.09 0.04 2 887 . 76 VAL HG2 H 1.03 0.04 2 888 . 76 VAL C C 171.00 0.2 1 889 . 76 VAL CA C 56.1 0.2 1 890 . 76 VAL CB C 33.2 0.2 1 891 . 76 VAL CG1 C 19.2 0.2 2 892 . 76 VAL CG2 C 17.7 0.2 2 893 . 76 VAL N N 118.8 0.2 1 894 . 77 PRO HA H 5.2 0.04 1 895 . 77 PRO HB2 H 2.29 0.04 2 896 . 77 PRO HB3 H 1.99 0.04 2 897 . 77 PRO HG2 H 2.1 0.04 2 898 . 77 PRO HG3 H 2.00 0.04 2 899 . 77 PRO HD2 H 4.12 0.04 2 900 . 77 PRO HD3 H 3.81 0.04 2 901 . 77 PRO C C 173.00 0.2 1 902 . 77 PRO CA C 59.9 0.2 1 903 . 77 PRO CB C 29.9 0.2 1 904 . 77 PRO CG C 25.4 0.2 1 905 . 77 PRO CD C 48.2 0.2 1 906 . 77 PRO N N 130.7 0.2 1 907 . 78 ALA H H 9.48 0.04 1 908 . 78 ALA HA H 5.02 0.04 1 909 . 78 ALA HB H 1.51 0.04 1 910 . 78 ALA C C 172.8 0.2 1 911 . 78 ALA CA C 49.3 0.2 1 912 . 78 ALA CB C 21.1 0.2 1 913 . 78 ALA N N 125.3 0.2 1 914 . 79 PHE H H 8.64 0.04 1 915 . 79 PHE HA H 5.54 0.04 1 916 . 79 PHE HB2 H 2.93 0.04 2 917 . 79 PHE HB3 H 2.63 0.04 2 918 . 79 PHE HD1 H 6.24 0.04 1 919 . 79 PHE HD2 H 6.24 0.04 1 920 . 79 PHE HE1 H 6.57 0.04 1 921 . 79 PHE HE2 H 6.57 0.04 1 922 . 79 PHE HZ H 6.38 0.04 1 923 . 79 PHE C C 171.9 0.2 1 924 . 79 PHE CA C 52.6 0.2 1 925 . 79 PHE CB C 41.7 0.2 1 926 . 79 PHE CD1 C 130.3 0.2 1 927 . 79 PHE CD2 C 130.3 0.2 1 928 . 79 PHE CE1 C 127.6 0.2 1 929 . 79 PHE CE2 C 127.6 0.2 1 930 . 79 PHE CZ C 128.4 0.2 1 931 . 79 PHE N N 120.8 0.2 1 932 . 80 LYS H H 8.58 0.04 1 933 . 80 LYS HA H 4.77 0.04 1 934 . 80 LYS HB2 H 1.68 0.04 2 935 . 80 LYS HB3 H 1.55 0.04 2 936 . 80 LYS HG2 H 1.4 0.04 2 937 . 80 LYS HG3 H 1.27 0.04 2 938 . 80 LYS HD2 H 1.71 0.04 1 939 . 80 LYS HD3 H 1.71 0.04 1 940 . 80 LYS HE2 H 3.02 0.04 1 941 . 80 LYS HE3 H 3.02 0.04 1 942 . 80 LYS C C 170.9 0.2 1 943 . 80 LYS CA C 49.5 0.2 1 944 . 80 LYS CB C 32.00 0.2 1 945 . 80 LYS CG C 22.1 0.2 1 946 . 80 LYS CD C 27.1 0.2 1 947 . 80 LYS CE C 40.1 0.2 1 948 . 80 LYS N N 130.1 0.2 1 949 . 80 LYS NZ N 34.1 0.2 1 950 . 81 PRO HA H 3.87 0.04 1 951 . 81 PRO HB2 H 1.92 0.04 1 952 . 81 PRO HB3 H 1.92 0.04 1 953 . 81 PRO HG2 H 2.11 0.04 1 954 . 81 PRO HG3 H 2.11 0.04 1 955 . 81 PRO HD2 H 3.92 0.04 2 956 . 81 PRO HD3 H 3.58 0.04 2 957 . 81 PRO C C 173.7 0.2 1 958 . 81 PRO CA C 60.4 0.2 1 959 . 81 PRO CB C 31.1 0.2 1 960 . 81 PRO CG C 24.9 0.2 1 961 . 81 PRO CD C 49.00 0.2 1 962 . 81 PRO N N 130.6 0.2 1 963 . 82 GLY H H 8.34 0.04 1 964 . 82 GLY HA2 H 4.32 0.04 2 965 . 82 GLY HA3 H 3.55 0.04 2 966 . 82 GLY C C 171.8 0.2 1 967 . 82 GLY CA C 41.5 0.2 1 968 . 82 GLY N N 111.8 0.2 1 969 . 83 LYS H H 8.52 0.04 1 970 . 83 LYS HA H 3.89 0.04 1 971 . 83 LYS HB2 H 2.03 0.04 2 972 . 83 LYS HB3 H 1.94 0.04 2 973 . 83 LYS HG2 H 1.58 0.04 2 974 . 83 LYS HG3 H 1.54 0.04 2 975 . 83 LYS HD2 H 1.86 0.04 2 976 . 83 LYS HD3 H 1.75 0.04 2 977 . 83 LYS HE2 H 3.17 0.04 1 978 . 83 LYS HE3 H 3.17 0.04 1 979 . 83 LYS C C 175.7 0.2 1 980 . 83 LYS CA C 58.2 0.2 1 981 . 83 LYS CB C 30.7 0.2 1 982 . 83 LYS CG C 22.6 0.2 1 983 . 83 LYS CD C 27.00 0.2 1 984 . 83 LYS CE C 40.4 0.2 1 985 . 83 LYS N N 121.7 0.2 1 986 . 84 ALA H H 8.41 0.04 1 987 . 84 ALA HA H 4.31 0.04 1 988 . 84 ALA HB H 1.55 0.04 1 989 . 84 ALA C C 178.5 0.2 1 990 . 84 ALA CA C 53.1 0.2 1 991 . 84 ALA CB C 15.9 0.2 1 992 . 84 ALA N N 119.9 0.2 1 993 . 85 LEU H H 7.31 0.04 1 994 . 85 LEU HA H 4.33 0.04 1 995 . 85 LEU HB2 H 1.86 0.04 2 996 . 85 LEU HB3 H 1.73 0.04 2 997 . 85 LEU HG H 1.12 0.04 1 998 . 85 LEU HD1 H 0.66 0.04 1 999 . 85 LEU HD2 H 0.66 0.04 1 1000 . 85 LEU C C 176.3 0.2 1 1001 . 85 LEU CA C 55.5 0.2 1 1002 . 85 LEU CB C 40.4 0.2 1 1003 . 85 LEU CG C 22.2 0.2 1 1004 . 85 LEU CD1 C 23.9 0.2 1 1005 . 85 LEU CD2 C 23.9 0.2 1 1006 . 85 LEU N N 120.2 0.2 1 1007 . 86 LYS H H 8.12 0.04 1 1008 . 86 LYS HA H 3.89 0.04 1 1009 . 86 LYS HB2 H 2.02 0.04 2 1010 . 86 LYS HB3 H 1.97 0.04 2 1011 . 86 LYS HG2 H 1.63 0.04 2 1012 . 86 LYS HG3 H 1.47 0.04 2 1013 . 86 LYS HD2 H 1.83 0.04 1 1014 . 86 LYS HD3 H 1.83 0.04 1 1015 . 86 LYS HE2 H 3.14 0.04 1 1016 . 86 LYS HE3 H 3.14 0.04 1 1017 . 86 LYS C C 177.7 0.2 1 1018 . 86 LYS CA C 58.8 0.2 1 1019 . 86 LYS CB C 29.8 0.2 1 1020 . 86 LYS CG C 23.9 0.2 1 1021 . 86 LYS CD C 27.3 0.2 1 1022 . 86 LYS CE C 40.00 0.2 1 1023 . 86 LYS N N 117.3 0.2 1 1024 . 87 ASP H H 8.6 0.04 1 1025 . 87 ASP HA H 4.52 0.04 1 1026 . 87 ASP HB2 H 2.88 0.04 2 1027 . 87 ASP HB3 H 2.76 0.04 2 1028 . 87 ASP C C 175.9 0.2 1 1029 . 87 ASP CA C 54.7 0.2 1 1030 . 87 ASP CB C 38.2 0.2 1 1031 . 87 ASP CG C 177.1 0.2 1 1032 . 87 ASP N N 118.6 0.2 1 1033 . 88 ALA H H 7.77 0.04 1 1034 . 88 ALA HA H 4.35 0.04 1 1035 . 88 ALA HB H 1.65 0.04 1 1036 . 88 ALA C C 176.7 0.2 1 1037 . 88 ALA CA C 52.4 0.2 1 1038 . 88 ALA CB C 17.00 0.2 1 1039 . 88 ALA N N 121.6 0.2 1 1040 . 89 VAL H H 7.16 0.04 1 1041 . 89 VAL HA H 4.43 0.04 1 1042 . 89 VAL HB H 2.47 0.04 1 1043 . 89 VAL HG1 H 0.97 0.04 2 1044 . 89 VAL HG2 H 0.95 0.04 2 1045 . 89 VAL C C 178.2 0.2 1 1046 . 89 VAL CA C 59.1 0.2 1 1047 . 89 VAL CB C 29.9 0.2 1 1048 . 89 VAL CG1 C 17.5 0.2 2 1049 . 89 VAL CG2 C 19.8 0.2 2 1050 . 89 VAL N N 108.4 0.2 1 1051 . 90 LYS H H 7.13 0.04 1 1052 . 90 LYS HA H 4.26 0.04 1 1053 . 90 LYS HB2 H 2.02 0.04 1 1054 . 90 LYS HB3 H 2.02 0.04 1 1055 . 90 LYS HG2 H 1.69 0.04 1 1056 . 90 LYS HG3 H 1.69 0.04 1 1057 . 90 LYS HD2 H 1.9 0.04 1 1058 . 90 LYS HD3 H 1.9 0.04 1 1059 . 90 LYS HE2 H 3.2 0.04 1 1060 . 90 LYS HE3 H 3.2 0.04 1 1061 . 90 LYS C C 179.2 0.2 1 1062 . 90 LYS CA C 56.8 0.2 1 1063 . 90 LYS CB C 31.5 0.2 1 1064 . 90 LYS CG C 22.6 0.2 1 1065 . 90 LYS CD C 27.9 0.2 1 1066 . 90 LYS CE C 40.5 0.2 1 1067 . 90 LYS N N 125.9 0.2 1 stop_ save_