data_6188 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Acyl Coenzyme A Binding Protein from yeast ; _BMRB_accession_number 6188 _BMRB_flat_file_name bmr6188.str _Entry_type original _Submission_date 2004-04-22 _Accession_date 2004-04-22 _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 Teilum K. . . 2 Thormann T. . . 3 Caterer N. . . 4 Poulsen H. I. . 5 Jensen P. H. . 6 Knudsen J. . . 7 Kragelund B. B. . 8 Poulsen F. M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 416 "13C chemical shifts" 249 "15N chemical shifts" 88 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-07-30 update BMRB 'Delete the shift of 10 LYS C 32.87' 2005-02-21 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Different secondary structure elements as scaffolds for protein folding transition states of two homologous four-helix bundles' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15690348 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Teilum K. . . 2 Thormann T. . . 3 Caterer N. R. . 4 Poulsen H. I. . 5 Jensen P. H. . 6 Knudsen J. . . 7 Kragelund B. B. . 8 Poulsen F. M. . stop_ _Journal_abbreviation Proteins _Journal_volume 59 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 80 _Page_last 90 _Year 2005 _Details . loop_ _Keyword 'Four helix bundle' stop_ save_ ################################## # Molecular system description # ################################## save_system_Acyl-CoA-binding_protein _Saveframe_category molecular_system _Mol_system_name 'Acyl-CoA-binding protein' _Abbreviation_common 'Acyl-CoA-binding protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Acyl-CoA-binding protein' $Acyl-CoA-binding_protein stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Acyl-CoA-binding_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Acyl-CoA-binding protein' _Abbreviation_common 'Acyl-CoA-binding protein' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 86 _Mol_residue_sequence ; VSQLFEEKAKAVNELPTKPS TDELLELYALYKQATVGDND KEKPGIFNMKDRYKWEAWEN LKGKSQEDAEKEYIALVDQL IAKYSS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 VAL 2 2 SER 3 3 GLN 4 4 LEU 5 5 PHE 6 6 GLU 7 7 GLU 8 8 LYS 9 9 ALA 10 10 LYS 11 11 ALA 12 12 VAL 13 13 ASN 14 14 GLU 15 15 LEU 16 16 PRO 17 17 THR 18 18 LYS 19 19 PRO 20 20 SER 21 21 THR 22 22 ASP 23 23 GLU 24 24 LEU 25 25 LEU 26 26 GLU 27 27 LEU 28 28 TYR 29 29 ALA 30 30 LEU 31 31 TYR 32 32 LYS 33 33 GLN 34 34 ALA 35 35 THR 36 36 VAL 37 37 GLY 38 38 ASP 39 39 ASN 40 40 ASP 41 41 LYS 42 42 GLU 43 43 LYS 44 44 PRO 45 45 GLY 46 46 ILE 47 47 PHE 48 48 ASN 49 49 MET 50 50 LYS 51 51 ASP 52 52 ARG 53 53 TYR 54 54 LYS 55 55 TRP 56 56 GLU 57 57 ALA 58 58 TRP 59 59 GLU 60 60 ASN 61 61 LEU 62 62 LYS 63 63 GLY 64 64 LYS 65 65 SER 66 66 GLN 67 67 GLU 68 68 ASP 69 69 ALA 70 70 GLU 71 71 LYS 72 72 GLU 73 73 TYR 74 74 ILE 75 75 ALA 76 76 LEU 77 77 VAL 78 78 ASP 79 79 GLN 80 80 LEU 81 81 ILE 82 82 ALA 83 83 LYS 84 84 TYR 85 85 SER 86 86 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-25 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 1ST7 "Solution Structure Of Acyl Coenzyme A Binding Protein From Yeast" 100.00 86 100.00 100.00 1.59e-53 DBJ GAA23421 "K7_Acb1p [Saccharomyces cerevisiae Kyokai no. 7]" 100.00 87 100.00 100.00 1.41e-53 EMBL CAA69944 "ACB1 [Saccharomyces cerevisiae]" 100.00 87 100.00 100.00 1.41e-53 EMBL CAA69947 "ACB1 type 1 [Saccharomyces pastorianus]" 100.00 87 100.00 100.00 1.41e-53 EMBL CAA97025 "ACB1 [Saccharomyces cerevisiae]" 100.00 87 100.00 100.00 1.41e-53 EMBL CAY79799 "Acb1p [Saccharomyces cerevisiae EC1118]" 100.00 87 100.00 100.00 1.41e-53 GB AAA34384 "acyl-CoA-binding protein [Saccharomyces cerevisiae]" 100.00 87 100.00 100.00 1.41e-53 GB AAB31936 "acyl-coA-binding protein type 1, ACBP type 1 [Saccharomyces bayanus, BK 2208 lager strain, Peptide, 86 aa]" 100.00 86 100.00 100.00 1.59e-53 GB AAZ22453 "Acb1p [Saccharomyces cerevisiae]" 100.00 87 100.00 100.00 1.41e-53 GB AHY79403 "Acb1p [Saccharomyces cerevisiae YJM993]" 100.00 87 100.00 100.00 1.41e-53 GB EDN61634 "acyl-CoA-binding protein (ACBP)/diazepam binding inhibitor (DBI)/endozepine (EP) [Saccharomyces cerevisiae YJM789]" 100.00 87 100.00 100.00 1.41e-53 REF NP_011551 "long-chain fatty acid transporter ACB1 [Saccharomyces cerevisiae S288c]" 100.00 87 100.00 100.00 1.41e-53 SP P31787 "RecName: Full=Acyl-CoA-binding protein; Short=ACBP [Saccharomyces cerevisiae S288c]" 100.00 87 100.00 100.00 1.41e-53 TPG DAA08135 "TPA: long-chain fatty acid transporter ACB1 [Saccharomyces cerevisiae S288c]" 100.00 87 100.00 100.00 1.41e-53 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Acyl-CoA-binding_protein 'Baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Acyl-CoA-binding_protein 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3)/PLYS . 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 $Acyl-CoA-binding_protein 2.5 mM '[U-13C; U-15N]' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 3.8 loop_ _Task 'structure solution' refinement stop_ _Details Brunger save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UNITY _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_HNHA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.75 . pH temperature 298 . K pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 . C 13 . ppm . . . . . . . . N 15 . 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_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Acyl-CoA-binding protein' _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 VAL CA C 60.50 . 1 2 1 1 VAL CB C 33.44 . 1 3 1 1 VAL H H 7.82 . 1 4 1 1 VAL HA H 3.98 . 1 5 1 1 VAL N N 119.41 . 1 6 1 1 VAL HB H 1.67 . 1 7 1 1 VAL HG1 H 0.73 . 2 8 1 1 VAL HG2 H 0.14 . 2 9 2 2 SER H H 9.40 . 1 10 2 2 SER N N 120.06 . 1 11 2 2 SER CA C 58.38 . 1 12 2 2 SER CB C 66.00 . 1 13 2 2 SER HA H 4.53 . 1 14 2 2 SER HB2 H 3.76 . 2 15 3 3 GLN H H 8.82 . 1 16 3 3 GLN N N 121.44 . 1 17 3 3 GLN CA C 59.39 . 1 18 3 3 GLN CB C 28.54 . 1 19 3 3 GLN HA H 4.25 . 1 20 3 3 GLN HB2 H 2.19 . 2 21 3 3 GLN HG2 H 2.55 . 2 22 3 3 GLN HE21 H 7.80 . 2 23 3 3 GLN HE22 H 6.91 . 2 24 3 3 GLN NE2 N 113.57 . 1 25 4 4 LEU H H 8.16 . 1 26 4 4 LEU N N 121.26 . 1 27 4 4 LEU CA C 57.86 . 1 28 4 4 LEU CB C 42.00 . 1 29 4 4 LEU HA H 4.28 . 1 30 4 4 LEU HB2 H 1.66 . 2 31 4 4 LEU HB3 H 1.83 . 2 32 4 4 LEU HG H 1.07 . 1 33 4 4 LEU CG C 26.15 . 1 34 5 5 PHE H H 7.86 . 1 35 5 5 PHE N N 120.13 . 1 36 5 5 PHE CA C 62.60 . 1 37 5 5 PHE CB C 39.30 . 1 38 5 5 PHE HA H 3.97 . 1 39 5 5 PHE HZ H 6.29 . 1 40 5 5 PHE HE1 H 6.63 . 3 41 5 5 PHE HD1 H 7.08 . 3 42 5 5 PHE CD1 C 131.13 . 3 43 5 5 PHE CE1 C 131.19 . 3 44 5 5 PHE CZ C 129.91 . 1 45 5 5 PHE HB3 H 2.34 . 2 46 5 5 PHE HB2 H 2.04 . 2 47 6 6 GLU H H 7.69 . 1 48 6 6 GLU N N 118.07 . 1 49 6 6 GLU CA C 59.75 . 1 50 6 6 GLU CB C 29.62 . 1 51 6 6 GLU HA H 4.11 . 1 52 6 6 GLU HG2 H 2.32 . 2 53 6 6 GLU HB2 H 2.24 . 2 54 6 6 GLU CG C 37.06 . 1 55 7 7 GLU H H 8.53 . 1 56 7 7 GLU N N 121.12 . 1 57 7 7 GLU CA C 59.58 . 1 58 7 7 GLU CB C 29.80 . 1 59 7 7 GLU HA H 4.11 . 1 60 7 7 GLU HG2 H 2.36 . 2 61 7 7 GLU HB2 H 2.21 . 2 62 7 7 GLU CG C 37.06 . 1 63 7 7 GLU HB3 H 2.56 . 2 64 8 8 LYS H H 8.54 . 1 65 8 8 LYS N N 122.76 . 1 66 8 8 LYS CA C 57.48 . 1 67 8 8 LYS CB C 29.77 . 1 68 8 8 LYS HA H 4.20 . 1 69 8 8 LYS HB2 H 1.75 . 2 70 8 8 LYS HG2 H 1.63 . 2 71 8 8 LYS HD2 H 1.78 . 2 72 9 9 ALA H H 8.53 . 1 73 9 9 ALA N N 122.75 . 1 74 9 9 ALA CA C 54.64 . 1 75 9 9 ALA CB C 17.69 . 1 76 9 9 ALA HB H 1.37 . 1 77 9 9 ALA HA H 4.80 . 1 78 10 10 LYS H H 7.56 . 1 79 10 10 LYS N N 118.35 . 1 80 10 10 LYS CA C 59.37 . 1 81 10 10 LYS CB C 32.82 . 1 82 10 10 LYS HA H 4.14 . 1 83 10 10 LYS HB2 H 1.97 . 2 84 10 10 LYS HG2 H 1.63 . 2 85 10 10 LYS CG C 25.56 . 1 86 11 11 ALA H H 8.02 . 1 87 11 11 ALA N N 122.35 . 1 88 11 11 ALA CA C 54.80 . 1 89 11 11 ALA CB C 18.28 . 1 90 11 11 ALA HA H 4.12 . 1 91 11 11 ALA HB H 1.54 . 1 92 12 12 VAL H H 8.16 . 1 93 12 12 VAL N N 118.59 . 1 94 12 12 VAL CA C 65.31 . 1 95 12 12 VAL CB C 31.75 . 1 96 12 12 VAL HA H 3.75 . 1 97 12 12 VAL HB H 2.21 . 1 98 12 12 VAL HG1 H 1.06 . 1 99 12 12 VAL HG2 H 1.04 . 1 100 12 12 VAL CG1 C 20.07 . 2 101 12 12 VAL CG2 C 23.17 . 2 102 13 13 ASN H H 7.22 . 1 103 13 13 ASN N N 118.21 . 1 104 13 13 ASN CA C 54.92 . 1 105 13 13 ASN CB C 39.36 . 1 106 13 13 ASN HA H 4.65 . 1 107 13 13 ASN HB2 H 2.95 . 2 108 13 13 ASN HB3 H 2.90 . 2 109 13 13 ASN HD22 H 6.88 . 2 110 13 13 ASN HD21 H 7.68 . 2 111 13 13 ASN ND2 N 114.84 . 1 112 14 14 GLU H H 7.50 . 1 113 14 14 GLU N N 117.71 . 1 114 14 14 GLU CA C 55.31 . 1 115 14 14 GLU CB C 29.89 . 1 116 14 14 GLU HA H 4.47 . 1 117 14 14 GLU HB3 H 1.96 . 2 118 14 14 GLU HB2 H 2.30 . 2 119 14 14 GLU CG C 36.06 . 1 120 15 15 LEU H H 7.01 . 1 121 15 15 LEU N N 122.38 . 1 122 15 15 LEU CA C 53.96 . 1 123 15 15 LEU CB C 42.58 . 1 124 15 15 LEU HA H 4.48 . 1 125 15 15 LEU HG H 2.13 . 1 126 15 15 LEU HB2 H 1.85 . 2 127 15 15 LEU HD1 H 1.07 . 2 128 15 15 LEU CG C 26.77 . 1 129 15 15 LEU CD1 C 24.29 . 2 130 16 16 PRO CA C 64.54 . 1 131 16 16 PRO CB C 31.80 . 1 132 16 16 PRO HB3 H 2.40 . 2 133 16 16 PRO HG2 H 2.22 . 2 134 16 16 PRO CG C 27.58 . 1 135 16 16 PRO HD3 H 3.92 . 2 136 16 16 PRO CD C 50.85 . 1 137 16 16 PRO HB2 H 2.16 . 2 138 16 16 PRO HD2 H 3.80 . 2 139 16 16 PRO HA H 4.46 . 1 140 17 17 THR H H 6.76 . 1 141 17 17 THR N N 114.48 . 1 142 17 17 THR CA C 60.72 . 1 143 17 17 THR CB C 71.19 . 1 144 17 17 THR HA H 4.28 . 1 145 17 17 THR HB H 3.82 . 1 146 17 17 THR HG2 H 1.11 . 1 147 17 17 THR HG1 H 7.04 . 1 148 17 17 THR CG2 C 21.47 . 1 149 18 18 LYS H H 7.91 . 1 150 18 18 LYS N N 124.31 . 1 151 18 18 LYS CA C 54.21 . 1 152 18 18 LYS CB C 32.64 . 1 153 18 18 LYS HA H 4.37 . 1 154 18 18 LYS HB2 H 1.71 . 2 155 18 18 LYS HG2 H 1.53 . 2 156 18 18 LYS HZ H 7.52 . 1 157 18 18 LYS CG C 24.39 . 1 158 19 19 PRO CA C 61.95 . 1 159 19 19 PRO CB C 32.24 . 1 160 19 19 PRO HA H 4.14 . 1 161 19 19 PRO HB2 H 2.78 . 2 162 19 19 PRO HG3 H 1.75 . 2 163 19 19 PRO CG C 27.94 . 1 164 19 19 PRO HD2 H 3.35 . 2 165 19 19 PRO CD C 51.21 . 1 166 19 19 PRO HG2 H 1.60 . 2 167 20 20 SER H H 8.48 . 1 168 20 20 SER N N 115.54 . 1 169 20 20 SER CA C 58.01 . 1 170 20 20 SER CB C 64.99 . 1 171 20 20 SER HA H 4.44 . 1 172 20 20 SER HB2 H 4.19 . 2 173 21 21 THR H H 8.76 . 1 174 21 21 THR N N 117.19 . 1 175 21 21 THR CA C 67.41 . 1 176 21 21 THR CB C 68.85 . 1 177 21 21 THR HB H 1.28 . 1 178 21 21 THR HA H 4.15 . 1 179 22 22 ASP H H 8.28 . 1 180 22 22 ASP N N 118.41 . 1 181 22 22 ASP CA C 57.88 . 1 182 22 22 ASP CB C 40.61 . 1 183 22 22 ASP HA H 4.39 . 1 184 22 22 ASP HB2 H 2.56 . 2 185 23 23 GLU H H 7.53 . 1 186 23 23 GLU N N 122.19 . 1 187 23 23 GLU CA C 59.29 . 1 188 23 23 GLU CB C 30.23 . 1 189 23 23 GLU HG2 H 2.62 . 2 190 23 23 GLU HA H 4.16 . 1 191 23 23 GLU HB2 H 1.90 . 2 192 24 24 LEU H H 8.76 . 1 193 24 24 LEU N N 119.32 . 1 194 24 24 LEU CA C 58.20 . 1 195 24 24 LEU CB C 41.62 . 1 196 24 24 LEU HG H 1.72 . 1 197 24 24 LEU HA H 4.13 . 1 198 24 24 LEU HD1 H 0.85 . 2 199 24 24 LEU HB2 H 2.63 . 2 200 25 25 LEU H H 8.45 . 1 201 25 25 LEU N N 122.25 . 1 202 25 25 LEU CA C 58.30 . 1 203 25 25 LEU CB C 42.58 . 1 204 25 25 LEU HA H 4.20 . 1 205 25 25 LEU HB2 H 2.05 . 2 206 25 25 LEU HG H 1.95 . 1 207 25 25 LEU HD1 H 1.47 . 1 208 25 25 LEU CG C 27.07 . 1 209 25 25 LEU HD2 H 0.91 . 1 210 25 25 LEU CD1 C 23.83 . 2 211 26 26 GLU H H 7.54 . 1 212 26 26 GLU N N 120.63 . 1 213 26 26 GLU CA C 60.01 . 1 214 26 26 GLU CB C 29.90 . 1 215 26 26 GLU HA H 4.18 . 1 216 26 26 GLU HB3 H 2.08 . 2 217 26 26 GLU HB2 H 2.25 . 2 218 27 27 LEU H H 8.37 . 1 219 27 27 LEU N N 119.91 . 1 220 27 27 LEU CA C 58.43 . 1 221 27 27 LEU CB C 43.21 . 1 222 27 27 LEU HA H 4.12 . 1 223 27 27 LEU HB2 H 2.04 . 2 224 27 27 LEU HG H 1.81 . 1 225 27 27 LEU HD1 H 0.81 . 2 226 27 27 LEU CD1 C 26.21 . 2 227 27 27 LEU HD2 H 0.68 . 2 228 27 27 LEU CG C 26.75 . 1 229 28 28 TYR H H 8.37 . 1 230 28 28 TYR N N 119.89 . 1 231 28 28 TYR CA C 61.87 . 1 232 28 28 TYR CB C 38.24 . 1 233 28 28 TYR HA H 4.14 . 1 234 28 28 TYR HB2 H 3.29 . 2 235 28 28 TYR HB3 H 3.35 . 2 236 28 28 TYR HD1 H 7.13 . 3 237 28 28 TYR HE1 H 6.90 . 3 238 28 28 TYR CD1 C 132.57 . 3 239 28 28 TYR CE1 C 117.49 . 3 240 29 29 ALA H H 8.33 . 1 241 29 29 ALA N N 121.25 . 1 242 29 29 ALA CA C 55.47 . 1 243 29 29 ALA CB C 18.89 . 1 244 29 29 ALA HA H 3.55 . 1 245 29 29 ALA HB H 1.66 . 1 246 30 30 LEU H H 8.12 . 1 247 30 30 LEU N N 117.41 . 1 248 30 30 LEU CA C 59.22 . 1 249 30 30 LEU CB C 44.68 . 1 250 30 30 LEU HA H 3.97 . 1 251 30 30 LEU HB2 H 2.35 . 2 252 30 30 LEU HG H 2.06 . 1 253 30 30 LEU HD1 H 1.03 . 1 254 30 30 LEU HD2 H 1.16 . 1 255 30 30 LEU CD1 C 26.17 . 2 256 30 30 LEU CG C 27.59 . 1 257 31 31 TYR H H 8.85 . 1 258 31 31 TYR N N 121.22 . 1 259 31 31 TYR CA C 61.84 . 1 260 31 31 TYR CB C 38.28 . 1 261 31 31 TYR HA H 3.57 . 1 262 31 31 TYR HB3 H 3.25 . 2 263 31 31 TYR HD1 H 6.51 . 3 264 31 31 TYR HE1 H 6.68 . 3 265 31 31 TYR HB2 H 3.09 . 2 266 31 31 TYR CD1 C 132.70 . 3 267 31 31 TYR CE1 C 118.05 . 3 268 32 32 LYS H H 8.19 . 1 269 32 32 LYS N N 121.35 . 1 270 32 32 LYS CA C 56.25 . 1 271 32 32 LYS CB C 26.89 . 1 272 32 32 LYS HA H 3.29 . 1 273 32 32 LYS HB3 H 0.30 . 2 274 32 32 LYS HB2 H -0.49 . 2 275 32 32 LYS HG3 H -0.06 . 2 276 32 32 LYS HG2 H 0.57 . 2 277 32 32 LYS CG C 22.35 . 1 278 32 32 LYS HD3 H 0.90 . 2 279 32 32 LYS HD2 H 1.17 . 2 280 32 32 LYS HE2 H 2.44 . 2 281 32 32 LYS CD C 26.27 . 1 282 32 32 LYS CE C 41.88 . 1 283 33 33 GLN H H 8.47 . 1 284 33 33 GLN N N 122.83 . 1 285 33 33 GLN CA C 57.82 . 1 286 33 33 GLN CB C 27.42 . 1 287 33 33 GLN HA H 4.24 . 1 288 33 33 GLN HG2 H 2.17 . 2 289 33 33 GLN HB3 H 1.74 . 2 290 33 33 GLN CG C 32.33 . 1 291 33 33 GLN HB2 H 1.60 . 2 292 34 34 ALA H H 8.18 . 1 293 34 34 ALA N N 116.28 . 1 294 34 34 ALA CA C 54.62 . 1 295 34 34 ALA CB C 20.03 . 1 296 34 34 ALA HA H 4.26 . 1 297 34 34 ALA HB H 1.00 . 1 298 35 35 THR H H 7.44 . 1 299 35 35 THR N N 106.59 . 1 300 35 35 THR CA C 62.90 . 1 301 35 35 THR CB C 70.94 . 1 302 35 35 THR HA H 3.92 . 1 303 35 35 THR HB H 3.79 . 1 304 35 35 THR HG2 H 1.01 . 1 305 35 35 THR CG2 C 22.53 . 1 306 36 36 VAL H H 8.68 . 1 307 36 36 VAL N N 121.54 . 1 308 36 36 VAL CA C 63.34 . 1 309 36 36 VAL CB C 33.81 . 1 310 36 36 VAL HA H 4.26 . 1 311 36 36 VAL HB H 2.40 . 1 312 36 36 VAL HG1 H 1.04 . 2 313 36 36 VAL CG1 C 21.36 . 2 314 36 36 VAL HG2 H 0.99 . 2 315 37 37 GLY H H 7.81 . 1 316 37 37 GLY N N 112.36 . 1 317 37 37 GLY CA C 43.75 . 1 318 37 37 GLY HA3 H 4.01 . 2 319 37 37 GLY HA2 H 4.38 . 2 320 38 38 ASP H H 8.21 . 1 321 38 38 ASP N N 119.94 . 1 322 38 38 ASP CA C 54.96 . 1 323 38 38 ASP CB C 41.56 . 1 324 38 38 ASP HA H 4.48 . 1 325 38 38 ASP HB3 H 2.45 . 2 326 38 38 ASP HB2 H 2.34 . 2 327 39 39 ASN H H 8.38 . 1 328 39 39 ASN N N 121.09 . 1 329 39 39 ASN CA C 53.52 . 1 330 39 39 ASN CB C 36.24 . 1 331 39 39 ASN HA H 1.92 . 1 332 39 39 ASN HB2 H 0.37 . 2 333 40 40 ASP H H 7.64 . 1 334 40 40 ASP N N 127.50 . 1 335 40 40 ASP CA C 52.54 . 1 336 40 40 ASP CB C 40.96 . 1 337 40 40 ASP HA H 4.61 . 1 338 40 40 ASP HB2 H 2.45 . 2 339 41 41 LYS H H 7.79 . 1 340 41 41 LYS N N 120.62 . 1 341 41 41 LYS CA C 54.68 . 1 342 41 41 LYS CB C 34.24 . 1 343 41 41 LYS HA H 4.64 . 1 344 41 41 LYS HB2 H 2.16 . 2 345 41 41 LYS HD2 H 2.68 . 2 346 41 41 LYS HG3 H 2.10 . 2 347 41 41 LYS HE2 H 3.07 . 2 348 41 41 LYS HZ H 7.99 . 1 349 41 41 LYS CG C 35.12 . 1 350 41 41 LYS HG2 H 1.76 . 2 351 42 42 GLU H H 8.81 . 1 352 42 42 GLU N N 124.71 . 1 353 42 42 GLU CA C 56.45 . 1 354 42 42 GLU CB C 30.37 . 1 355 42 42 GLU HA H 4.27 . 1 356 42 42 GLU HB2 H 1.96 . 2 357 42 42 GLU HG2 H 2.32 . 2 358 42 42 GLU CG C 36.28 . 1 359 43 43 LYS H H 8.25 . 1 360 43 43 LYS N N 125.86 . 1 361 43 43 LYS CA C 54.71 . 1 362 43 43 LYS CB C 32.94 . 1 363 43 43 LYS HA H 4.26 . 1 364 44 44 PRO CB C 32.47 . 1 365 44 44 PRO CA C 62.62 . 1 366 44 44 PRO HB2 H 2.40 . 2 367 44 44 PRO HA H 4.39 . 1 368 44 44 PRO HG2 H 1.72 . 2 369 44 44 PRO HD2 H 3.64 . 2 370 44 44 PRO CG C 27.41 . 1 371 44 44 PRO CD C 51.54 . 1 372 45 45 GLY H H 8.37 . 1 373 45 45 GLY N N 108.13 . 1 374 45 45 GLY CA C 45.18 . 1 375 45 45 GLY HA3 H 4.00 . 2 376 45 45 GLY HA2 H 3.74 . 2 377 46 46 ILE H H 7.89 . 1 378 46 46 ILE N N 117.41 . 1 379 46 46 ILE CA C 62.59 . 1 380 46 46 ILE CB C 38.81 . 1 381 46 46 ILE HA H 3.80 . 1 382 46 46 ILE HB H 1.74 . 1 383 46 46 ILE HG2 H 0.71 . 1 384 46 46 ILE HG13 H 1.09 . 2 385 46 46 ILE CG1 C 27.22 . 1 386 46 46 ILE HD1 H 0.80 . 1 387 46 46 ILE CD1 C 13.54 . 1 388 46 46 ILE CG2 C 17.56 . 1 389 46 46 ILE HG12 H 1.05 . 2 390 47 47 PHE H H 7.86 . 1 391 47 47 PHE N N 120.10 . 1 392 47 47 PHE CA C 58.35 . 1 393 47 47 PHE CB C 38.80 . 1 394 47 47 PHE HA H 4.58 . 1 395 47 47 PHE HB3 H 3.10 . 2 396 47 47 PHE HB2 H 3.22 . 2 397 47 47 PHE HZ H 7.37 . 1 398 47 47 PHE CD1 C 131.63 . 3 399 47 47 PHE HE1 H 7.41 . 3 400 47 47 PHE HD1 H 7.31 . 3 401 47 47 PHE CZ C 129.78 . 1 402 47 47 PHE CE1 C 131.26 . 3 403 48 48 ASN H H 7.83 . 1 404 48 48 ASN N N 120.50 . 1 405 48 48 ASN CA C 52.19 . 1 406 48 48 ASN CB C 38.31 . 1 407 48 48 ASN HA H 4.88 . 1 408 48 48 ASN HB2 H 3.07 . 2 409 48 48 ASN HB3 H 2.70 . 2 410 48 48 ASN HD21 H 7.05 . 2 411 48 48 ASN HD22 H 7.58 . 2 412 48 48 ASN ND2 N 113.46 . 1 413 49 49 MET CA C 59.56 . 1 414 49 49 MET CB C 26.78 . 1 415 49 49 MET H H 8.28 . 1 416 49 49 MET N N 121.32 . 1 417 49 49 MET HB3 H 1.95 . 2 418 49 49 MET HA H 4.38 . 1 419 49 49 MET HB2 H 1.72 . 2 420 50 50 LYS H H 8.46 . 1 421 50 50 LYS N N 119.50 . 1 422 50 50 LYS CA C 60.21 . 1 423 50 50 LYS CB C 31.95 . 1 424 50 50 LYS HA H 4.06 . 1 425 50 50 LYS HB2 H 1.87 . 2 426 50 50 LYS HZ H 7.85 . 1 427 51 51 ASP H H 7.83 . 1 428 51 51 ASP N N 118.17 . 1 429 51 51 ASP CA C 57.82 . 1 430 51 51 ASP CB C 39.67 . 1 431 51 51 ASP HB3 H 2.64 . 2 432 51 51 ASP HA H 4.58 . 1 433 51 51 ASP HB2 H 1.87 . 2 434 52 52 ARG H H 8.16 . 1 435 52 52 ARG N N 122.75 . 1 436 52 52 ARG CA C 60.57 . 1 437 52 52 ARG CB C 32.31 . 1 438 52 52 ARG HA H 3.94 . 1 439 52 52 ARG HB2 H 1.82 . 2 440 52 52 ARG HG2 H 1.61 . 2 441 52 52 ARG HE H 7.68 . 1 442 52 52 ARG HG3 H 1.50 . 2 443 52 52 ARG CG C 28.51 . 1 444 52 52 ARG HD2 H 3.21 . 2 445 53 53 TYR H H 8.30 . 1 446 53 53 TYR N N 119.69 . 1 447 53 53 TYR CA C 60.55 . 1 448 53 53 TYR CB C 36.98 . 1 449 53 53 TYR HA H 4.63 . 1 450 53 53 TYR HB3 H 3.31 . 2 451 53 53 TYR HB2 H 3.22 . 2 452 53 53 TYR HE1 H 6.92 . 3 453 53 53 TYR CE1 C 118.32 . 3 454 53 53 TYR HD1 H 7.24 . 3 455 53 53 TYR CD1 C 132.84 . 3 456 54 54 LYS H H 8.15 . 1 457 54 54 LYS N N 122.36 . 1 458 54 54 LYS CA C 61.15 . 1 459 54 54 LYS CB C 32.69 . 1 460 54 54 LYS HE2 H 3.23 . 2 461 54 54 LYS HA H 3.94 . 1 462 54 54 LYS HB2 H 1.78 . 2 463 54 54 LYS HG2 H 0.65 . 2 464 54 54 LYS HD2 H 1.56 . 2 465 54 54 LYS CG C 26.74 . 1 466 55 55 TRP H H 8.25 . 1 467 55 55 TRP N N 120.41 . 1 468 55 55 TRP CA C 63.06 . 1 469 55 55 TRP CB C 29.99 . 1 470 55 55 TRP HA H 4.43 . 1 471 55 55 TRP HB3 H 3.48 . 2 472 55 55 TRP HE1 H 9.83 . 1 473 55 55 TRP HZ2 H 7.44 . 1 474 55 55 TRP HD1 H 7.40 . 1 475 55 55 TRP CD1 C 126.38 . 1 476 55 55 TRP HE3 H 7.49 . 1 477 55 55 TRP CE3 C 120.40 . 1 478 55 55 TRP HH2 H 7.24 . 1 479 55 55 TRP CH2 C 122.17 . 1 480 55 55 TRP CZ2 C 114.90 . 1 481 55 55 TRP HZ3 H 7.24 . 1 482 55 55 TRP CZ3 C 124.66 . 1 483 55 55 TRP HB2 H 3.70 . 2 484 56 56 GLU H H 8.94 . 1 485 56 56 GLU N N 118.71 . 1 486 56 56 GLU CA C 59.92 . 1 487 56 56 GLU CB C 30.26 . 1 488 56 56 GLU HA H 3.99 . 1 489 56 56 GLU HG2 H 2.40 . 2 490 57 57 ALA H H 8.18 . 1 491 57 57 ALA N N 122.65 . 1 492 57 57 ALA CA C 55.66 . 1 493 57 57 ALA CB C 18.86 . 1 494 57 57 ALA HA H 4.28 . 1 495 57 57 ALA HB H 1.78 . 1 496 58 58 TRP H H 8.25 . 1 497 58 58 TRP N N 120.13 . 1 498 58 58 TRP CA C 58.15 . 1 499 58 58 TRP CB C 30.30 . 1 500 58 58 TRP HA H 4.94 . 1 501 58 58 TRP HB3 H 3.59 . 2 502 58 58 TRP HE1 H 10.09 . 1 503 58 58 TRP HD1 H 7.69 . 1 504 58 58 TRP HZ2 H 7.23 . 1 505 58 58 TRP CZ2 C 115.30 . 1 506 58 58 TRP CD1 C 127.16 . 1 507 58 58 TRP HE3 H 7.63 . 1 508 58 58 TRP CE3 C 120.47 . 1 509 58 58 TRP HZ3 H 7.20 . 1 510 58 58 TRP CZ3 C 123.42 . 1 511 58 58 TRP HH2 H 7.14 . 1 512 58 58 TRP CH2 C 121.39 . 1 513 58 58 TRP HB2 H 3.34 . 2 514 59 59 GLU H H 9.31 . 1 515 59 59 GLU N N 125.13 . 1 516 59 59 GLU CA C 59.13 . 1 517 59 59 GLU CB C 27.89 . 1 518 59 59 GLU HA H 3.67 . 1 519 59 59 GLU HB2 H 0.67 . 2 520 59 59 GLU HG2 H 1.47 . 2 521 59 59 GLU CG C 34.09 . 1 522 60 60 ASN H H 7.78 . 1 523 60 60 ASN N N 115.65 . 1 524 60 60 ASN CA C 55.31 . 1 525 60 60 ASN CB C 38.91 . 1 526 60 60 ASN HA H 4.58 . 1 527 60 60 ASN HB3 H 2.99 . 2 528 60 60 ASN HB2 H 2.95 . 2 529 60 60 ASN HD22 H 7.67 . 2 530 60 60 ASN HD21 H 7.03 . 2 531 60 60 ASN ND2 N 113.67 . 1 532 61 61 LEU H H 7.79 . 1 533 61 61 LEU N N 118.29 . 1 534 61 61 LEU CA C 54.02 . 1 535 61 61 LEU CB C 41.97 . 1 536 61 61 LEU HA H 4.49 . 1 537 61 61 LEU HB2 H 2.20 . 2 538 61 61 LEU HD1 H 0.91 . 1 539 61 61 LEU CD1 C 22.30 . 2 540 61 61 LEU HG H 1.55 . 1 541 61 61 LEU HD2 H 1.04 . 1 542 61 61 LEU CG C 27.61 . 1 543 62 62 LYS H H 7.20 . 1 544 62 62 LYS N N 121.66 . 1 545 62 62 LYS CA C 59.44 . 1 546 62 62 LYS CB C 32.11 . 1 547 62 62 LYS HA H 4.12 . 1 548 62 62 LYS HB2 H 1.93 . 2 549 62 62 LYS HD2 H 1.72 . 2 550 62 62 LYS HE2 H 3.40 . 2 551 62 62 LYS HZ H 7.81 . 1 552 62 62 LYS HG2 H 1.29 . 2 553 62 62 LYS CD C 29.28 . 1 554 63 63 GLY H H 9.86 . 1 555 63 63 GLY N N 117.86 . 1 556 63 63 GLY CA C 44.81 . 1 557 63 63 GLY HA3 H 4.43 . 2 558 63 63 GLY HA2 H 3.80 . 2 559 64 64 LYS H H 8.48 . 1 560 64 64 LYS N N 125.58 . 1 561 64 64 LYS CA C 56.37 . 1 562 64 64 LYS HA H 4.44 . 1 563 64 64 LYS HB2 H 1.73 . 2 564 64 64 LYS HG3 H 1.77 . 2 565 64 64 LYS CG C 22.34 . 1 566 64 64 LYS HG2 H 2.09 . 2 567 64 64 LYS CB C 33.20 . 1 568 65 65 SER H H 9.72 . 1 569 65 65 SER N N 127.81 . 1 570 65 65 SER CA C 58.37 . 1 571 65 65 SER CB C 64.44 . 1 572 65 65 SER HG H 6.09 . 1 573 65 65 SER HA H 4.43 . 1 574 65 65 SER HB2 H 4.20 . 2 575 66 66 GLN H H 9.09 . 1 576 66 66 GLN N N 123.34 . 1 577 66 66 GLN CA C 60.22 . 1 578 66 66 GLN CB C 29.43 . 1 579 66 66 GLN HA H 4.16 . 1 580 66 66 GLN HB3 H 2.04 . 2 581 66 66 GLN HG2 H 2.94 . 2 582 66 66 GLN CG C 35.85 . 1 583 66 66 GLN HB2 H 2.37 . 2 584 66 66 GLN HE21 H 6.68 . 2 585 66 66 GLN HE22 H 6.78 . 2 586 66 66 GLN NE2 N 110.88 . 1 587 67 67 GLU H H 8.76 . 1 588 67 67 GLU N N 118.80 . 1 589 67 67 GLU CA C 60.23 . 1 590 67 67 GLU CB C 29.40 . 1 591 67 67 GLU HB2 H 2.10 . 2 592 67 67 GLU HG2 H 2.39 . 2 593 67 67 GLU HA H 4.12 . 1 594 68 68 ASP H H 8.00 . 1 595 68 68 ASP N N 122.48 . 1 596 68 68 ASP CA C 57.41 . 1 597 68 68 ASP CB C 39.72 . 1 598 68 68 ASP HA H 4.55 . 1 599 68 68 ASP HB2 H 2.64 . 2 600 68 68 ASP HB3 H 2.75 . 2 601 69 69 ALA H H 8.47 . 1 602 69 69 ALA N N 122.29 . 1 603 69 69 ALA CA C 55.33 . 1 604 69 69 ALA CB C 17.59 . 1 605 69 69 ALA HA H 4.04 . 1 606 69 69 ALA HB H 1.46 . 1 607 70 70 GLU H H 8.44 . 1 608 70 70 GLU N N 119.15 . 1 609 70 70 GLU CA C 60.24 . 1 610 70 70 GLU CB C 29.95 . 1 611 70 70 GLU HA H 3.99 . 1 612 70 70 GLU HB2 H 2.06 . 2 613 70 70 GLU HG2 H 2.36 . 2 614 70 70 GLU CG C 37.08 . 1 615 71 71 LYS H H 7.69 . 1 616 71 71 LYS N N 118.55 . 1 617 71 71 LYS CA C 60.26 . 1 618 71 71 LYS CB C 32.80 . 1 619 71 71 LYS HB2 H 2.12 . 2 620 71 71 LYS HA H 4.11 . 1 621 71 71 LYS HD2 H 1.80 . 2 622 71 71 LYS HG2 H 1.62 . 2 623 72 72 GLU H H 8.66 . 1 624 72 72 GLU N N 121.49 . 1 625 72 72 GLU CA C 59.69 . 1 626 72 72 GLU CB C 30.44 . 1 627 72 72 GLU HA H 4.12 . 1 628 72 72 GLU HB2 H 2.21 . 2 629 72 72 GLU HG2 H 2.50 . 2 630 73 73 TYR H H 9.20 . 1 631 73 73 TYR N N 124.89 . 1 632 73 73 TYR CA C 62.64 . 1 633 73 73 TYR CB C 39.29 . 1 634 73 73 TYR HA H 4.01 . 1 635 73 73 TYR HB3 H 3.26 . 2 636 73 73 TYR HH H 9.39 . 1 637 73 73 TYR HB2 H 3.53 . 2 638 73 73 TYR HE1 H 6.81 . 3 639 73 73 TYR HD1 H 7.11 . 3 640 73 73 TYR CD1 C 131.99 . 3 641 74 74 ILE H H 8.20 . 1 642 74 74 ILE N N 119.78 . 1 643 74 74 ILE CA C 66.70 . 1 644 74 74 ILE CB C 38.99 . 1 645 74 74 ILE HB H 2.03 . 1 646 74 74 ILE HA H 3.31 . 1 647 74 74 ILE HG2 H 0.98 . 1 648 74 74 ILE CG2 C 17.00 . 1 649 75 75 ALA H H 7.73 . 1 650 75 75 ALA N N 118.87 . 1 651 75 75 ALA CA C 55.07 . 1 652 75 75 ALA CB C 18.32 . 1 653 75 75 ALA HA H 4.26 . 1 654 75 75 ALA HB H 1.64 . 1 655 76 76 LEU H H 8.13 . 1 656 76 76 LEU N N 122.38 . 1 657 76 76 LEU CA C 57.78 . 1 658 76 76 LEU HA H 4.23 . 1 659 76 76 LEU HD1 H 0.95 . 2 660 76 76 LEU CD1 C 26.83 . 1 661 76 76 LEU HB2 H 1.49 . 2 662 76 76 LEU HG H 1.91 . 1 663 76 76 LEU CG C 27.49 . 1 664 76 76 LEU CB C 41.23 . 1 665 77 77 VAL H H 8.60 . 1 666 77 77 VAL N N 121.09 . 1 667 77 77 VAL CA C 68.91 . 1 668 77 77 VAL CB C 30.51 . 1 669 77 77 VAL HA H 3.28 . 1 670 77 77 VAL HB H 1.95 . 1 671 77 77 VAL HG2 H 0.37 . 1 672 77 77 VAL CG1 C 23.61 . 1 673 77 77 VAL HG1 H 1.00 . 1 674 77 77 VAL CG2 C 22.11 . 1 675 78 78 ASP H H 8.27 . 1 676 78 78 ASP N N 119.14 . 1 677 78 78 ASP CA C 58.39 . 1 678 78 78 ASP CB C 39.78 . 1 679 78 78 ASP HA H 4.56 . 1 680 78 78 ASP HB2 H 2.77 . 2 681 79 79 GLN H H 8.00 . 1 682 79 79 GLN N N 122.63 . 1 683 79 79 GLN CA C 59.30 . 1 684 79 79 GLN CB C 28.75 . 1 685 79 79 GLN HA H 4.15 . 1 686 79 79 GLN HB2 H 2.34 . 2 687 79 79 GLN HG2 H 2.57 . 2 688 80 80 LEU H H 8.76 . 1 689 80 80 LEU N N 123.04 . 1 690 80 80 LEU CA C 58.03 . 1 691 80 80 LEU CB C 41.34 . 1 692 80 80 LEU HA H 4.20 . 1 693 80 80 LEU HB2 H 2.22 . 2 694 80 80 LEU HD2 H 0.93 . 2 695 80 80 LEU HD1 H 0.97 . 2 696 80 80 LEU CG C 27.09 . 1 697 80 80 LEU HG H 1.48 . 1 698 80 80 LEU CD1 C 23.16 . 2 699 81 81 ILE H H 9.32 . 1 700 81 81 ILE N N 121.99 . 1 701 81 81 ILE CA C 65.74 . 1 702 81 81 ILE CB C 38.33 . 1 703 81 81 ILE HA H 3.76 . 1 704 81 81 ILE HB H 1.96 . 1 705 81 81 ILE HG2 H 0.94 . 1 706 81 81 ILE HG12 H 1.07 . 2 707 81 81 ILE CG1 C 29.55 . 1 708 81 81 ILE CG2 C 16.93 . 1 709 81 81 ILE HD1 H 0.87 . 1 710 81 81 ILE CD1 C 14.17 . 1 711 82 82 ALA H H 7.54 . 1 712 82 82 ALA N N 121.84 . 1 713 82 82 ALA CA C 54.93 . 1 714 82 82 ALA CB C 18.04 . 1 715 82 82 ALA HB H 1.52 . 1 716 82 82 ALA HA H 4.17 . 1 717 83 83 LYS H H 7.85 . 1 718 83 83 LYS N N 118.86 . 1 719 83 83 LYS CA C 59.47 . 1 720 83 83 LYS CB C 34.05 . 1 721 83 83 LYS HA H 3.96 . 1 722 83 83 LYS HD2 H 1.49 . 2 723 83 83 LYS HG2 H 0.23 . 2 724 83 83 LYS HB2 H 1.65 . 2 725 83 83 LYS CG C 24.92 . 1 726 83 83 LYS CD C 30.40 . 1 727 83 83 LYS HG3 H 1.03 . 2 728 83 83 LYS HE2 H 2.77 . 2 729 84 84 TYR H H 8.28 . 1 730 84 84 TYR N N 115.65 . 1 731 84 84 TYR CA C 58.92 . 1 732 84 84 TYR CB C 39.03 . 1 733 84 84 TYR HA H 4.90 . 1 734 84 84 TYR HB3 H 2.88 . 2 735 84 84 TYR HB2 H 3.44 . 2 736 84 84 TYR HE1 H 6.89 . 3 737 84 84 TYR HD1 H 7.23 . 3 738 84 84 TYR CE1 C 118.04 . 3 739 84 84 TYR CD1 C 132.64 . 3 740 85 85 SER H H 7.84 . 1 741 85 85 SER N N 115.92 . 1 742 85 85 SER CA C 59.44 . 1 743 85 85 SER CB C 64.15 . 1 744 85 85 SER HB3 H 4.05 . 2 745 85 85 SER HA H 4.65 . 1 746 85 85 SER HB2 H 4.15 . 2 747 86 86 SER H H 7.93 . 1 748 86 86 SER N N 123.25 . 1 749 86 86 SER CA C 60.36 . 1 750 86 86 SER CB C 65.23 . 1 751 86 86 SER HA H 4.35 . 1 752 86 86 SER HB3 H 3.96 . 2 753 86 86 SER HB2 H 3.83 . 2 stop_ save_