data_15449 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Type I rat fatty acid synthase acyl carrier protein (ACP) domain ; _BMRB_accession_number 15449 _BMRB_flat_file_name bmr15449.str _Entry_type original _Submission_date 2007-08-30 _Accession_date 2007-08-30 _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 Ploskon E. A. . 2 Arthur C. J. . 3 Evans S. E. . 4 Williams C. . . 5 Crosby J. . . 6 Crump M. P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 487 "13C chemical shifts" 283 "15N chemical shifts" 88 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-01-28 original author . stop_ _Original_release_date 2008-01-28 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'A Mammalian Type I fatty acid synthase acyl carrier protein domain does not bind acyl chains' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17971456 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ploskon E. A. . 2 Arthur C. J. . 3 Evans S. E. . 4 Williams C. . . 5 Crosby J. . . 6 Simpson T. J. . 7 Crump M. P. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 283 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 518 _Page_last 528 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ACP domain from rat' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'subunit 1' $Fatty_acid_synthase_(EC_2.3.1.85) 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_Fatty_acid_synthase_(EC_2.3.1.85) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Fatty_acid_synthase_(EC_2.3.1.85) _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 89 _Mol_residue_sequence ; GDGEAQRDLVKAVAHILGIR DLAGINLDSSLADLGLDSLM GVEVRQILEREHDLVLPIRE VRQLTLRKLQEMSSKAGSDT ELAAPKSKN ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ASP 3 GLY 4 GLU 5 ALA 6 GLN 7 ARG 8 ASP 9 LEU 10 VAL 11 LYS 12 ALA 13 VAL 14 ALA 15 HIS 16 ILE 17 LEU 18 GLY 19 ILE 20 ARG 21 ASP 22 LEU 23 ALA 24 GLY 25 ILE 26 ASN 27 LEU 28 ASP 29 SER 30 SER 31 LEU 32 ALA 33 ASP 34 LEU 35 GLY 36 LEU 37 ASP 38 SER 39 LEU 40 MET 41 GLY 42 VAL 43 GLU 44 VAL 45 ARG 46 GLN 47 ILE 48 LEU 49 GLU 50 ARG 51 GLU 52 HIS 53 ASP 54 LEU 55 VAL 56 LEU 57 PRO 58 ILE 59 ARG 60 GLU 61 VAL 62 ARG 63 GLN 64 LEU 65 THR 66 LEU 67 ARG 68 LYS 69 LEU 70 GLN 71 GLU 72 MET 73 SER 74 SER 75 LYS 76 ALA 77 GLY 78 SER 79 ASP 80 THR 81 GLU 82 LEU 83 ALA 84 ALA 85 PRO 86 LYS 87 SER 88 LYS 89 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 2PNG "Type I Rat Fatty Acid Synthase Acyl Carrier Protein (Acp) Domain" 100.00 89 100.00 100.00 1.98e-53 EMBL CAA31780 "unnamed protein product [Rattus norvegicus]" 100.00 2431 100.00 100.00 2.34e-48 EMBL CAA31882 "acyl carrier protein (405 AA); fatty acid synthetase domain [Rattus norvegicus]" 100.00 404 100.00 100.00 5.37e-51 EMBL CAA44679 "fatty-acid synthase [Rattus norvegicus]" 100.00 2505 100.00 100.00 2.75e-48 EMBL CAA44680 "fatty acid synthase [Rattus norvegicus]" 100.00 2505 100.00 100.00 2.75e-48 GB AAA41144 "fatty acid synthetase, partial [Rattus norvegicus]" 100.00 421 100.00 100.00 5.00e-51 GB AAA41145 "fatty acid synthase [Rattus norvegicus]" 100.00 2505 100.00 100.00 2.62e-48 GB AAA57219 "fatty acid synthase [Rattus norvegicus]" 100.00 2505 100.00 100.00 2.75e-48 GB EDM06908 "fatty acid synthase, isoform CRA_a [Rattus norvegicus]" 100.00 1346 100.00 100.00 2.34e-48 GB EDM06909 "fatty acid synthase, isoform CRA_b [Rattus norvegicus]" 100.00 2505 100.00 100.00 2.75e-48 REF NP_059028 "fatty acid synthase [Rattus norvegicus]" 100.00 2505 100.00 100.00 2.75e-48 SP P12785 "RecName: Full=Fatty acid synthase; Includes: RecName: Full=[Acyl-carrier-protein] S-acetyltransferase; Includes: RecName: Full=" 100.00 2505 100.00 100.00 2.75e-48 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $Fatty_acid_synthase_(EC_2.3.1.85) Rat 10116 Eukaryota Metazoa Rattus norvegicus Fasn 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 $Fatty_acid_synthase_(EC_2.3.1.85) 'recombinant technology' . Escherichia coli . pET15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Saveframe_category sample _Sample_type solution _Details '1-2MM ACP; 20MM SODIUM DEUTEROACETATE, 1MM NAN3, 1MMDTT, PH 5.5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Fatty_acid_synthase_(EC_2.3.1.85) . mM 1 2 . 'sodium deuteroacetate' 20 mM . . 'natural abundance' 'sodium azide' 1 mM . . 'natural abundance' DTT 1 mM . . 'natural abundance' D2O 10 % . . [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement 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 'data analysis' stop_ _Details . save_ save_CCPN_Analysis _Saveframe_category software _Name ANALYSIS _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Aria _Saveframe_category software _Name ARIA _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . 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 600 _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 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' 20 . mM pH 5.5 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $citations $citations DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $citations $citations DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $citations $citations stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 3D_13C-separated_NOESY stop_ loop_ _Sample_label $sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'subunit 1' _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 3 3 GLY H H 8.535 . . 2 3 3 GLY CA C 45.599 . . 3 3 3 GLY N N 109.681 . . 4 4 4 GLU H H 8.166 . . 5 4 4 GLU HA H 4.232 . . 6 4 4 GLU HB2 H 2.023 . . 7 4 4 GLU HB3 H 1.931 . . 8 4 4 GLU HG2 H 2.208 . . 9 4 4 GLU HG3 H 2.208 . . 10 4 4 GLU CA C 56.763 . . 11 4 4 GLU CB C 30.256 . . 12 4 4 GLU CG C 36.339 . . 13 4 4 GLU N N 120.653 . . 14 5 5 ALA H H 8.297 . . 15 5 5 ALA HA H 4.238 . . 16 5 5 ALA HB H 1.348 . . 17 5 5 ALA CA C 52.824 . . 18 5 5 ALA CB C 19.078 . . 19 5 5 ALA N N 124.679 . . 20 6 6 GLN H H 8.259 . . 21 6 6 GLN HA H 4.252 . . 22 6 6 GLN HB2 H 2.057 . . 23 6 6 GLN HB3 H 1.961 . . 24 6 6 GLN HE21 H 6.805 . . 25 6 6 GLN HE22 H 7.506 . . 26 6 6 GLN HG2 H 2.324 . . 27 6 6 GLN HG3 H 2.325 . . 28 6 6 GLN CA C 56.031 . . 29 6 6 GLN CB C 29.441 . . 30 6 6 GLN CG C 34.051 . . 31 6 6 GLN N N 119.348 . . 32 6 6 GLN NE2 N 112.965 . . 33 7 7 ARG H H 8.399 . . 34 7 7 ARG HA H 4.277 . . 35 7 7 ARG HB2 H 1.836 . . 36 7 7 ARG HB3 H 1.765 . . 37 7 7 ARG HD2 H 3.121 . . 38 7 7 ARG HD3 H 3.121 . . 39 7 7 ARG HG2 H 1.599 . . 40 7 7 ARG HG3 H 1.599 . . 41 7 7 ARG CA C 56.167 . . 42 7 7 ARG CB C 30.848 . . 43 7 7 ARG CD C 43.520 . . 44 7 7 ARG CG C 27.061 . . 45 7 7 ARG N N 122.112 . . 46 8 8 ASP H H 8.219 . . 47 8 8 ASP HA H 4.576 . . 48 8 8 ASP HB2 H 2.763 . . 49 8 8 ASP HB3 H 2.638 . . 50 8 8 ASP CA C 54.287 . . 51 8 8 ASP CB C 41.734 . . 52 8 8 ASP N N 122.125 . . 53 9 9 LEU H H 8.468 . . 54 9 9 LEU HA H 4.023 . . 55 9 9 LEU HB2 H 1.584 . . 56 9 9 LEU HB3 H 1.492 . . 57 9 9 LEU HD1 H 0.577 . . 58 9 9 LEU HD2 H 0.700 . . 59 9 9 LEU HG H 1.487 . . 60 9 9 LEU CA C 58.017 . . 61 9 9 LEU CB C 42.777 . . 62 9 9 LEU CD1 C 24.934 . . 63 9 9 LEU CD2 C 23.838 . . 64 9 9 LEU CG C 27.190 . . 65 9 9 LEU N N 126.826 . . 66 10 10 VAL H H 7.896 . . 67 10 10 VAL HA H 3.321 . . 68 10 10 VAL HB H 2.139 . . 69 10 10 VAL HG1 H 0.844 . . 70 10 10 VAL HG2 H 0.941 . . 71 10 10 VAL CA C 67.266 . . 72 10 10 VAL CB C 31.080 . . 73 10 10 VAL CG1 C 21.472 . . 74 10 10 VAL CG2 C 23.828 . . 75 10 10 VAL N N 117.941 . . 76 11 11 LYS H H 7.779 . . 77 11 11 LYS HA H 3.794 . . 78 11 11 LYS HB2 H 1.727 . . 79 11 11 LYS HB3 H 1.727 . . 80 11 11 LYS HD2 H 1.626 . . 81 11 11 LYS HD3 H 1.626 . . 82 11 11 LYS HE2 H 2.942 . . 83 11 11 LYS HE3 H 2.942 . . 84 11 11 LYS HG2 H 1.482 . . 85 11 11 LYS HG3 H 1.253 . . 86 11 11 LYS CA C 59.783 . . 87 11 11 LYS CB C 32.482 . . 88 11 11 LYS CE C 42.170 . . 89 11 11 LYS CG C 25.868 . . 90 11 11 LYS N N 118.486 . . 91 12 12 ALA H H 8.141 . . 92 12 12 ALA HA H 4.102 . . 93 12 12 ALA HB H 1.474 . . 94 12 12 ALA CA C 55.298 . . 95 12 12 ALA CB C 18.241 . . 96 12 12 ALA N N 121.217 . . 97 13 13 VAL H H 8.251 . . 98 13 13 VAL HA H 3.557 . . 99 13 13 VAL HB H 2.000 . . 100 13 13 VAL HG1 H 0.767 . . 101 13 13 VAL HG2 H 0.986 . . 102 13 13 VAL CA C 66.856 . . 103 13 13 VAL CB C 31.299 . . 104 13 13 VAL CG1 C 21.973 . . 105 13 13 VAL CG2 C 23.861 . . 106 13 13 VAL N N 118.490 . . 107 14 14 ALA H H 8.815 . . 108 14 14 ALA HA H 3.845 . . 109 14 14 ALA HB H 1.420 . . 110 14 14 ALA CA C 56.073 . . 111 14 14 ALA CB C 17.486 . . 112 14 14 ALA N N 122.554 . . 113 15 15 HIS H H 8.024 . . 114 15 15 HIS HA H 4.292 . . 115 15 15 HIS HB2 H 3.261 . . 116 15 15 HIS HB3 H 3.261 . . 117 15 15 HIS CA C 59.500 . . 118 15 15 HIS CB C 29.461 . . 119 15 15 HIS N N 115.248 . . 120 16 16 ILE H H 7.594 . . 121 16 16 ILE HA H 3.585 . . 122 16 16 ILE HB H 2.002 . . 123 16 16 ILE HD1 H 0.773 . . 124 16 16 ILE HG12 H 1.784 . . 125 16 16 ILE HG13 H 1.224 . . 126 16 16 ILE HG2 H 0.904 . . 127 16 16 ILE CA C 65.173 . . 128 16 16 ILE CB C 38.299 . . 129 16 16 ILE CD1 C 14.360 . . 130 16 16 ILE CG1 C 29.785 . . 131 16 16 ILE CG2 C 16.988 . . 132 16 16 ILE N N 123.058 . . 133 17 17 LEU H H 7.699 . . 134 17 17 LEU HA H 4.307 . . 135 17 17 LEU HB2 H 1.818 . . 136 17 17 LEU HB3 H 1.529 . . 137 17 17 LEU HD1 H 0.770 . . 138 17 17 LEU HD2 H 0.771 . . 139 17 17 LEU HG H 1.656 . . 140 17 17 LEU CA C 55.835 . . 141 17 17 LEU CB C 43.764 . . 142 17 17 LEU CD1 C 24.303 . . 143 17 17 LEU CD2 C 24.303 . . 144 17 17 LEU CG C 27.702 . . 145 17 17 LEU N N 116.966 . . 146 18 18 GLY H H 7.738 . . 147 18 18 GLY HA2 H 3.995 . . 148 18 18 GLY HA3 H 3.664 . . 149 18 18 GLY CA C 45.724 . . 150 18 18 GLY N N 108.198 . . 151 19 19 ILE H H 8.038 . . 152 19 19 ILE HA H 3.898 . . 153 19 19 ILE HB H 1.576 . . 154 19 19 ILE HD1 H 0.842 . . 155 19 19 ILE HG12 H 1.460 . . 156 19 19 ILE HG13 H 1.014 . . 157 19 19 ILE HG2 H 0.701 . . 158 19 19 ILE CA C 61.429 . . 159 19 19 ILE CB C 38.929 . . 160 19 19 ILE CD1 C 14.209 . . 161 19 19 ILE CG1 C 27.176 . . 162 19 19 ILE CG2 C 17.636 . . 163 19 19 ILE N N 121.417 . . 164 20 20 ARG H H 8.546 . . 165 20 20 ARG HA H 4.187 . . 166 20 20 ARG HB2 H 1.852 . . 167 20 20 ARG HB3 H 1.712 . . 168 20 20 ARG HD2 H 3.136 . . 169 20 20 ARG HD3 H 3.136 . . 170 20 20 ARG HG2 H 1.622 . . 171 20 20 ARG HG3 H 1.541 . . 172 20 20 ARG CA C 57.081 . . 173 20 20 ARG CB C 30.849 . . 174 20 20 ARG CD C 43.092 . . 175 20 20 ARG CG C 27.303 . . 176 20 20 ARG N N 126.696 . . 177 21 21 ASP H H 7.525 . . 178 21 21 ASP HA H 4.717 . . 179 21 21 ASP HB2 H 2.680 . . 180 21 21 ASP HB3 H 2.489 . . 181 21 21 ASP CA C 53.135 . . 182 21 21 ASP CB C 42.524 . . 183 21 21 ASP N N 118.282 . . 184 22 22 LEU H H 8.531 . . 185 22 22 LEU HA H 3.982 . . 186 22 22 LEU HB2 H 1.551 . . 187 22 22 LEU HB3 H 1.551 . . 188 22 22 LEU HD1 H 0.655 . . 189 22 22 LEU HD2 H 0.747 . . 190 22 22 LEU HG H 1.531 . . 191 22 22 LEU CA C 55.941 . . 192 22 22 LEU CB C 42.382 . . 193 22 22 LEU CD1 C 23.695 . . 194 22 22 LEU CD2 C 25.207 . . 195 22 22 LEU CG C 27.606 . . 196 22 22 LEU N N 125.112 . . 197 23 23 ALA H H 8.198 . . 198 23 23 ALA HA H 4.064 . . 199 23 23 ALA HB H 1.335 . . 200 23 23 ALA CA C 54.503 . . 201 23 23 ALA CB C 18.233 . . 202 23 23 ALA N N 123.095 . . 203 24 24 GLY H H 8.230 . . 204 24 24 GLY HA2 H 3.909 . . 205 24 24 GLY HA3 H 3.832 . . 206 24 24 GLY CA C 45.288 . . 207 24 24 GLY N N 107.822 . . 208 25 25 ILE H H 7.339 . . 209 25 25 ILE HA H 4.074 . . 210 25 25 ILE HB H 1.886 . . 211 25 25 ILE HD1 H 0.766 . . 212 25 25 ILE HG12 H 1.325 . . 213 25 25 ILE HG13 H 1.285 . . 214 25 25 ILE HG2 H 0.763 . . 215 25 25 ILE CA C 59.080 . . 216 25 25 ILE CB C 37.948 . . 217 25 25 ILE CD1 C 11.769 . . 218 25 25 ILE CG1 C 28.097 . . 219 25 25 ILE CG2 C 18.374 . . 220 25 25 ILE N N 120.777 . . 221 26 26 ASN H H 8.447 . . 222 26 26 ASN HA H 4.607 . . 223 26 26 ASN HB2 H 3.148 . . 224 26 26 ASN HB3 H 2.728 . . 225 26 26 ASN HD21 H 6.962 . . 226 26 26 ASN HD22 H 7.524 . . 227 26 26 ASN CA C 52.970 . . 228 26 26 ASN CB C 38.109 . . 229 26 26 ASN N N 124.511 . . 230 26 26 ASN ND2 N 111.972 . . 231 27 27 LEU H H 8.887 . . 232 27 27 LEU HA H 4.040 . . 233 27 27 LEU HB2 H 1.671 . . 234 27 27 LEU HB3 H 1.305 . . 235 27 27 LEU HD1 H 0.708 . . 236 27 27 LEU HD2 H 0.869 . . 237 27 27 LEU HG H 1.781 . . 238 27 27 LEU CA C 56.932 . . 239 27 27 LEU CB C 41.842 . . 240 27 27 LEU CD1 C 22.831 . . 241 27 27 LEU CD2 C 25.533 . . 242 27 27 LEU CG C 27.023 . . 243 27 27 LEU N N 127.749 . . 244 28 28 ASP H H 8.340 . . 245 28 28 ASP HA H 4.953 . . 246 28 28 ASP HB2 H 2.955 . . 247 28 28 ASP HB3 H 2.503 . . 248 28 28 ASP CA C 54.548 . . 249 28 28 ASP CB C 41.602 . . 250 28 28 ASP N N 113.806 . . 251 29 29 SER H H 7.360 . . 252 29 29 SER HA H 4.526 . . 253 29 29 SER HB2 H 3.864 . . 254 29 29 SER HB3 H 3.761 . . 255 29 29 SER CA C 59.215 . . 256 29 29 SER CB C 64.184 . . 257 29 29 SER N N 117.328 . . 258 30 30 SER H H 9.187 . . 259 30 30 SER HA H 4.662 . . 260 30 30 SER HB2 H 4.482 . . 261 30 30 SER HB3 H 3.983 . . 262 30 30 SER CA C 57.319 . . 263 30 30 SER CB C 64.716 . . 264 30 30 SER N N 120.930 . . 265 31 31 LEU H H 8.564 . . 266 31 31 LEU HA H 3.881 . . 267 31 31 LEU HB2 H 1.884 . . 268 31 31 LEU HB3 H 1.289 . . 269 31 31 LEU HD1 H 0.585 . . 270 31 31 LEU HD2 H 0.854 . . 271 31 31 LEU HG H 1.904 . . 272 31 31 LEU CA C 58.061 . . 273 31 31 LEU CB C 40.203 . . 274 31 31 LEU CD1 C 21.730 . . 275 31 31 LEU CD2 C 25.902 . . 276 31 31 LEU CG C 26.646 . . 277 31 31 LEU N N 118.437 . . 278 32 32 ALA H H 8.468 . . 279 32 32 ALA HA H 4.081 . . 280 32 32 ALA HB H 1.381 . . 281 32 32 ALA CA C 55.817 . . 282 32 32 ALA CB C 18.347 . . 283 32 32 ALA N N 120.280 . . 284 33 33 ASP H H 8.062 . . 285 33 33 ASP HA H 4.374 . . 286 33 33 ASP HB2 H 3.031 . . 287 33 33 ASP HB3 H 2.677 . . 288 33 33 ASP CA C 57.144 . . 289 33 33 ASP CB C 39.898 . . 290 33 33 ASP N N 121.663 . . 291 34 34 LEU H H 7.556 . . 292 34 34 LEU HA H 4.308 . . 293 34 34 LEU HB2 H 1.876 . . 294 34 34 LEU HB3 H 1.655 . . 295 34 34 LEU HD1 H 0.720 . . 296 34 34 LEU HD2 H 0.860 . . 297 34 34 LEU HG H 1.746 . . 298 34 34 LEU CA C 54.960 . . 299 34 34 LEU CB C 42.577 . . 300 34 34 LEU CD1 C 26.009 . . 301 34 34 LEU CD2 C 22.306 . . 302 34 34 LEU CG C 26.200 . . 303 34 34 LEU N N 118.533 . . 304 35 35 GLY H H 7.591 . . 305 35 35 GLY HA2 H 4.312 . . 306 35 35 GLY HA3 H 3.608 . . 307 35 35 GLY CA C 44.911 . . 308 35 35 GLY N N 105.165 . . 309 36 36 LEU H H 7.693 . . 310 36 36 LEU HA H 4.151 . . 311 36 36 LEU HB2 H 1.445 . . 312 36 36 LEU HB3 H 1.179 . . 313 36 36 LEU HD1 H 0.703 . . 314 36 36 LEU HD2 H 0.733 . . 315 36 36 LEU HG H 1.736 . . 316 36 36 LEU CA C 56.861 . . 317 36 36 LEU CB C 43.130 . . 318 36 36 LEU CD1 C 26.648 . . 319 36 36 LEU CD2 C 27.708 . . 320 36 36 LEU CG C 25.873 . . 321 36 36 LEU N N 121.266 . . 322 37 37 ASP H H 7.862 . . 323 37 37 ASP HA H 4.900 . . 324 37 37 ASP HB2 H 3.297 . . 325 37 37 ASP HB3 H 2.715 . . 326 37 37 ASP CA C 52.600 . . 327 37 37 ASP CB C 41.468 . . 328 37 37 ASP N N 131.840 . . 329 38 38 SER H H 8.367 . . 330 38 38 SER CA C 62.731 . . 331 38 38 SER N N 113.250 . . 332 39 39 LEU H H 7.794 . . 333 39 39 LEU HA H 4.176 . . 334 39 39 LEU HB2 H 1.866 . . 335 39 39 LEU HB3 H 1.650 . . 336 39 39 LEU HD1 H 0.864 . . 337 39 39 LEU HD2 H 0.922 . . 338 39 39 LEU HG H 1.652 . . 339 39 39 LEU CA C 58.012 . . 340 39 39 LEU CB C 41.399 . . 341 39 39 LEU CD1 C 23.678 . . 342 39 39 LEU CD2 C 24.758 . . 343 39 39 LEU CG C 27.347 . . 344 39 39 LEU N N 124.295 . . 345 40 40 MET H H 9.308 . . 346 40 40 MET HA H 4.067 . . 347 40 40 MET HB2 H 1.882 . . 348 40 40 MET HB3 H 1.799 . . 349 40 40 MET HG2 H 2.920 . . 350 40 40 MET HG3 H 2.514 . . 351 40 40 MET CA C 58.878 . . 352 40 40 MET CB C 34.111 . . 353 40 40 MET CG C 32.579 . . 354 40 40 MET N N 121.194 . . 355 41 41 GLY H H 8.347 . . 356 41 41 GLY HA2 H 3.785 . . 357 41 41 GLY HA3 H 3.492 . . 358 41 41 GLY CA C 47.948 . . 359 41 41 GLY N N 104.611 . . 360 42 42 VAL H H 7.376 . . 361 42 42 VAL HA H 3.564 . . 362 42 42 VAL HB H 2.256 . . 363 42 42 VAL HG1 H 0.941 . . 364 42 42 VAL HG2 H 1.138 . . 365 42 42 VAL CA C 66.748 . . 366 42 42 VAL CB C 31.984 . . 367 42 42 VAL CG1 C 21.092 . . 368 42 42 VAL CG2 C 22.703 . . 369 42 42 VAL N N 121.359 . . 370 43 43 GLU H H 7.351 . . 371 43 43 GLU HA H 4.090 . . 372 43 43 GLU HB2 H 2.203 . . 373 43 43 GLU HB3 H 2.118 . . 374 43 43 GLU HG2 H 2.394 . . 375 43 43 GLU HG3 H 2.258 . . 376 43 43 GLU CA C 59.607 . . 377 43 43 GLU CB C 29.587 . . 378 43 43 GLU CG C 36.071 . . 379 43 43 GLU N N 119.853 . . 380 44 44 VAL H H 8.408 . . 381 44 44 VAL HA H 3.456 . . 382 44 44 VAL HB H 1.981 . . 383 44 44 VAL HG1 H 0.723 . . 384 44 44 VAL HG2 H 0.993 . . 385 44 44 VAL CA C 67.073 . . 386 44 44 VAL CB C 31.686 . . 387 44 44 VAL CG1 C 21.743 . . 388 44 44 VAL CG2 C 24.378 . . 389 44 44 VAL N N 118.516 . . 390 45 45 ARG H H 8.400 . . 391 45 45 ARG HA H 3.827 . . 392 45 45 ARG HB2 H 2.100 . . 393 45 45 ARG HB3 H 1.849 . . 394 45 45 ARG HD2 H 3.147 . . 395 45 45 ARG HD3 H 3.147 . . 396 45 45 ARG HE H 7.366 . . 397 45 45 ARG HG2 H 1.954 . . 398 45 45 ARG HG3 H 1.666 . . 399 45 45 ARG CA C 60.509 . . 400 45 45 ARG CB C 30.318 . . 401 45 45 ARG CD C 44.222 . . 402 45 45 ARG CG C 27.711 . . 403 45 45 ARG N N 119.390 . . 404 46 46 GLN H H 8.099 . . 405 46 46 GLN HA H 4.243 . . 406 46 46 GLN HB2 H 2.297 . . 407 46 46 GLN HB3 H 2.123 . . 408 46 46 GLN HE21 H 6.845 . . 409 46 46 GLN HE22 H 7.338 . . 410 46 46 GLN HG2 H 2.577 . . 411 46 46 GLN HG3 H 2.390 . . 412 46 46 GLN CA C 59.357 . . 413 46 46 GLN CB C 28.830 . . 414 46 46 GLN CG C 34.721 . . 415 46 46 GLN N N 117.975 . . 416 47 47 ILE H H 7.938 . . 417 47 47 ILE HA H 3.790 . . 418 47 47 ILE HB H 1.890 . . 419 47 47 ILE HD1 H 0.788 . . 420 47 47 ILE HG12 H 1.812 . . 421 47 47 ILE HG13 H 1.109 . . 422 47 47 ILE HG2 H 0.873 . . 423 47 47 ILE CA C 65.778 . . 424 47 47 ILE CB C 38.423 . . 425 47 47 ILE CD1 C 14.342 . . 426 47 47 ILE CG1 C 29.198 . . 427 47 47 ILE CG2 C 17.341 . . 428 47 47 ILE N N 120.727 . . 429 48 48 LEU H H 8.128 . . 430 48 48 LEU HA H 3.967 . . 431 48 48 LEU HB2 H 2.035 . . 432 48 48 LEU HB3 H 1.590 . . 433 48 48 LEU HD1 H 0.690 . . 434 48 48 LEU HG H 1.810 . . 435 48 48 LEU CA C 58.686 . . 436 48 48 LEU CB C 40.950 . . 437 48 48 LEU CD1 C 23.577 . . 438 48 48 LEU CD2 C 26.630 . . 439 48 48 LEU CG C 27.028 . . 440 48 48 LEU N N 119.815 . . 441 49 49 GLU H H 7.919 . . 442 49 49 GLU HA H 3.837 . . 443 49 49 GLU HB2 H 2.088 . . 444 49 49 GLU HB3 H 2.088 . . 445 49 49 GLU HG2 H 2.176 . . 446 49 49 GLU HG3 H 2.070 . . 447 49 49 GLU CA C 60.109 . . 448 49 49 GLU CB C 30.023 . . 449 49 49 GLU CG C 36.264 . . 450 49 49 GLU N N 120.181 . . 451 50 50 ARG H H 8.476 . . 452 50 50 ARG HA H 4.096 . . 453 50 50 ARG HB2 H 1.963 . . 454 50 50 ARG HB3 H 1.878 . . 455 50 50 ARG HD2 H 3.175 . . 456 50 50 ARG HD3 H 3.175 . . 457 50 50 ARG HE H 7.356 . . 458 50 50 ARG HG2 H 1.781 . . 459 50 50 ARG HG3 H 1.608 . . 460 50 50 ARG CA C 59.054 . . 461 50 50 ARG CB C 31.323 . . 462 50 50 ARG CD C 43.616 . . 463 50 50 ARG CG C 27.729 . . 464 50 50 ARG N N 117.871 . . 465 51 51 GLU H H 8.539 . . 466 51 51 GLU HA H 4.351 . . 467 51 51 GLU HB2 H 1.929 . . 468 51 51 GLU HB3 H 1.813 . . 469 51 51 GLU HG2 H 2.230 . . 470 51 51 GLU HG3 H 2.230 . . 471 51 51 GLU CA C 56.789 . . 472 51 51 GLU CB C 30.452 . . 473 51 51 GLU CG C 36.734 . . 474 51 51 GLU N N 113.618 . . 475 52 52 HIS H H 7.134 . . 476 52 52 HIS HA H 4.715 . . 477 52 52 HIS HB2 H 3.415 . . 478 52 52 HIS HB3 H 3.043 . . 479 52 52 HIS CA C 55.625 . . 480 52 52 HIS CB C 31.816 . . 481 52 52 HIS N N 114.219 . . 482 53 53 ASP H H 7.627 . . 483 53 53 ASP HA H 4.500 . . 484 53 53 ASP HB2 H 3.004 . . 485 53 53 ASP HB3 H 2.529 . . 486 53 53 ASP CA C 55.561 . . 487 53 53 ASP CB C 39.954 . . 488 53 53 ASP N N 118.143 . . 489 54 54 LEU H H 7.625 . . 490 54 54 LEU HA H 4.588 . . 491 54 54 LEU HB2 H 1.357 . . 492 54 54 LEU HB3 H 1.272 . . 493 54 54 LEU HD1 H 0.842 . . 494 54 54 LEU HD2 H 0.846 . . 495 54 54 LEU HG H 1.381 . . 496 54 54 LEU CA C 53.878 . . 497 54 54 LEU CB C 44.713 . . 498 54 54 LEU CD1 C 25.321 . . 499 54 54 LEU CD2 C 25.321 . . 500 54 54 LEU CG C 26.860 . . 501 54 54 LEU N N 120.286 . . 502 55 55 VAL H H 8.536 . . 503 55 55 VAL HA H 3.992 . . 504 55 55 VAL HB H 1.937 . . 505 55 55 VAL HG1 H 0.748 . . 506 55 55 VAL HG2 H 0.798 . . 507 55 55 VAL CA C 62.036 . . 508 55 55 VAL CB C 31.747 . . 509 55 55 VAL CG1 C 21.141 . . 510 55 55 VAL CG2 C 20.672 . . 511 55 55 VAL N N 126.599 . . 512 56 56 LEU H H 8.233 . . 513 56 56 LEU HA H 4.917 . . 514 56 56 LEU HB2 H 1.389 . . 515 56 56 LEU HB3 H 1.341 . . 516 56 56 LEU HD1 H 0.744 . . 517 56 56 LEU HD2 H 0.846 . . 518 56 56 LEU HG H 1.439 . . 519 56 56 LEU CA C 51.295 . . 520 56 56 LEU CB C 45.514 . . 521 56 56 LEU CD1 C 25.938 . . 522 56 56 LEU CD2 C 23.754 . . 523 56 56 LEU CG C 27.229 . . 524 56 56 LEU N N 128.567 . . 525 57 57 PRO HA H 4.595 . . 526 57 57 PRO HB2 H 2.407 . . 527 57 57 PRO HB3 H 1.936 . . 528 57 57 PRO HD2 H 3.832 . . 529 57 57 PRO HD3 H 3.549 . . 530 57 57 PRO HG2 H 2.080 . . 531 57 57 PRO HG3 H 1.937 . . 532 57 57 PRO CA C 61.711 . . 533 57 57 PRO CB C 32.408 . . 534 57 57 PRO CD C 50.475 . . 535 57 57 PRO CG C 27.756 . . 536 58 58 ILE H H 8.938 . . 537 58 58 ILE HA H 3.694 . . 538 58 58 ILE HB H 1.893 . . 539 58 58 ILE HD1 H 0.785 . . 540 58 58 ILE HG12 H 1.428 . . 541 58 58 ILE HG13 H 1.378 . . 542 58 58 ILE HG2 H 0.878 . . 543 58 58 ILE CA C 63.155 . . 544 58 58 ILE CB C 37.083 . . 545 58 58 ILE CD1 C 12.302 . . 546 58 58 ILE CG1 C 28.537 . . 547 58 58 ILE CG2 C 17.853 . . 548 58 58 ILE N N 123.966 . . 549 59 59 ARG H H 8.580 . . 550 59 59 ARG HA H 3.961 . . 551 59 59 ARG HB2 H 1.876 . . 552 59 59 ARG HB3 H 1.664 . . 553 59 59 ARG HD2 H 3.158 . . 554 59 59 ARG HD3 H 3.158 . . 555 59 59 ARG HG2 H 1.596 . . 556 59 59 ARG HG3 H 1.491 . . 557 59 59 ARG CA C 59.429 . . 558 59 59 ARG CB C 29.806 . . 559 59 59 ARG CD C 43.416 . . 560 59 59 ARG CG C 27.309 . . 561 59 59 ARG N N 118.397 . . 562 60 60 GLU H H 7.158 . . 563 60 60 GLU HA H 4.190 . . 564 60 60 GLU HB2 H 2.089 . . 565 60 60 GLU HB3 H 1.915 . . 566 60 60 GLU HG2 H 2.229 . . 567 60 60 GLU HG3 H 2.229 . . 568 60 60 GLU CA C 58.223 . . 569 60 60 GLU CB C 30.349 . . 570 60 60 GLU CG C 36.984 . . 571 60 60 GLU N N 116.061 . . 572 61 61 VAL H H 7.883 . . 573 61 61 VAL HA H 3.400 . . 574 61 61 VAL HB H 2.195 . . 575 61 61 VAL HG1 H 0.808 . . 576 61 61 VAL HG2 H 0.845 . . 577 61 61 VAL CA C 66.387 . . 578 61 61 VAL CB C 31.621 . . 579 61 61 VAL CG1 C 21.461 . . 580 61 61 VAL CG2 C 23.760 . . 581 61 61 VAL N N 122.539 . . 582 62 62 ARG H H 7.820 . . 583 62 62 ARG HA H 3.706 . . 584 62 62 ARG HB2 H 1.857 . . 585 62 62 ARG HB3 H 1.766 . . 586 62 62 ARG HD2 H 3.145 . . 587 62 62 ARG HD3 H 3.063 . . 588 62 62 ARG HG2 H 1.759 . . 589 62 62 ARG HG3 H 1.473 . . 590 62 62 ARG CA C 59.725 . . 591 62 62 ARG CB C 31.257 . . 592 62 62 ARG CD C 43.567 . . 593 62 62 ARG CG C 28.806 . . 594 62 62 ARG N N 113.477 . . 595 63 63 GLN H H 6.828 . . 596 63 63 GLN HA H 4.376 . . 597 63 63 GLN HB2 H 2.327 . . 598 63 63 GLN HB3 H 1.948 . . 599 63 63 GLN HE21 H 6.833 . . 600 63 63 GLN HE22 H 7.388 . . 601 63 63 GLN HG2 H 2.545 . . 602 63 63 GLN HG3 H 2.404 . . 603 63 63 GLN CA C 55.144 . . 604 63 63 GLN CB C 29.951 . . 605 63 63 GLN CG C 34.064 . . 606 63 63 GLN N N 111.463 . . 607 63 63 GLN NE2 N 111.957 . . 608 64 64 LEU H H 7.379 . . 609 64 64 LEU HA H 4.172 . . 610 64 64 LEU HB2 H 2.025 . . 611 64 64 LEU HB3 H 1.127 . . 612 64 64 LEU HD1 H 0.791 . . 613 64 64 LEU HD2 H 0.791 . . 614 64 64 LEU HG H 2.019 . . 615 64 64 LEU CA C 55.952 . . 616 64 64 LEU CB C 43.068 . . 617 64 64 LEU CD1 C 23.004 . . 618 64 64 LEU CD2 C 23.004 . . 619 64 64 LEU CG C 26.348 . . 620 64 64 LEU N N 121.349 . . 621 65 65 THR H H 6.392 . . 622 65 65 THR HA H 5.032 . . 623 65 65 THR HB H 4.675 . . 624 65 65 THR HG2 H 0.962 . . 625 65 65 THR CA C 57.929 . . 626 65 65 THR CB C 71.511 . . 627 65 65 THR CG2 C 21.608 . . 628 66 66 LEU H H 8.802 . . 629 66 66 LEU HA H 4.036 . . 630 66 66 LEU HB2 H 1.956 . . 631 66 66 LEU HB3 H 1.301 . . 632 66 66 LEU HD1 H 0.680 . . 633 66 66 LEU HD2 H 0.729 . . 634 66 66 LEU HG H 1.745 . . 635 66 66 LEU CA C 58.681 . . 636 66 66 LEU CB C 41.161 . . 637 66 66 LEU CD1 C 22.575 . . 638 66 66 LEU CD2 C 26.240 . . 639 66 66 LEU CG C 27.000 . . 640 66 66 LEU N N 120.696 . . 641 67 67 ARG H H 8.917 . . 642 67 67 ARG HA H 3.801 . . 643 67 67 ARG HB2 H 1.588 . . 644 67 67 ARG HB3 H 1.588 . . 645 67 67 ARG HD2 H 3.324 . . 646 67 67 ARG HD3 H 2.994 . . 647 67 67 ARG HE H 8.674 . . 648 67 67 ARG CA C 59.849 . . 649 67 67 ARG CB C 30.037 . . 650 67 67 ARG CD C 42.702 . . 651 67 67 ARG N N 120.193 . . 652 68 68 LYS H H 7.887 . . 653 68 68 LYS HA H 4.051 . . 654 68 68 LYS HB2 H 1.844 . . 655 68 68 LYS HB3 H 1.844 . . 656 68 68 LYS HD2 H 1.700 . . 657 68 68 LYS HD3 H 1.700 . . 658 68 68 LYS HE2 H 2.927 . . 659 68 68 LYS HE3 H 2.927 . . 660 68 68 LYS HG2 H 1.503 . . 661 68 68 LYS HG3 H 1.503 . . 662 68 68 LYS CA C 58.644 . . 663 68 68 LYS CB C 32.455 . . 664 68 68 LYS CD C 28.937 . . 665 68 68 LYS CE C 42.120 . . 666 68 68 LYS CG C 25.498 . . 667 68 68 LYS N N 118.771 . . 668 69 69 LEU H H 7.912 . . 669 69 69 LEU HA H 4.045 . . 670 69 69 LEU HB2 H 2.033 . . 671 69 69 LEU HB3 H 1.148 . . 672 69 69 LEU HD1 H 0.819 . . 673 69 69 LEU HD2 H 0.824 . . 674 69 69 LEU HG H 1.856 . . 675 69 69 LEU CA C 57.895 . . 676 69 69 LEU CB C 41.480 . . 677 69 69 LEU CD1 C 23.908 . . 678 69 69 LEU CD2 C 27.047 . . 679 69 69 LEU CG C 26.900 . . 680 69 69 LEU N N 118.821 . . 681 70 70 GLN H H 8.316 . . 682 70 70 GLN HA H 3.897 . . 683 70 70 GLN HB2 H 2.236 . . 684 70 70 GLN HB3 H 2.236 . . 685 70 70 GLN HE21 H 6.599 . . 686 70 70 GLN HE22 H 7.335 . . 687 70 70 GLN HG2 H 2.435 . . 688 70 70 GLN HG3 H 2.298 . . 689 70 70 GLN CA C 59.199 . . 690 70 70 GLN CB C 28.780 . . 691 70 70 GLN CG C 34.200 . . 692 70 70 GLN N N 120.930 . . 693 70 70 GLN NE2 N 110.708 . . 694 71 71 GLU H H 7.961 . . 695 71 71 GLU HA H 4.038 . . 696 71 71 GLU HB2 H 2.198 . . 697 71 71 GLU HB3 H 2.130 . . 698 71 71 GLU HG2 H 2.455 . . 699 71 71 GLU HG3 H 2.197 . . 700 71 71 GLU CA C 58.989 . . 701 71 71 GLU CB C 29.685 . . 702 71 71 GLU CG C 36.420 . . 703 71 71 GLU N N 120.108 . . 704 72 72 MET H H 7.992 . . 705 72 72 MET HA H 4.117 . . 706 72 72 MET HB2 H 2.013 . . 707 72 72 MET HB3 H 1.913 . . 708 72 72 MET HG2 H 2.616 . . 709 72 72 MET HG3 H 2.490 . . 710 72 72 MET CA C 58.237 . . 711 72 72 MET CB C 33.670 . . 712 72 72 MET CG C 32.029 . . 713 72 72 MET N N 117.885 . . 714 73 73 SER H H 7.722 . . 715 73 73 SER HA H 4.416 . . 716 73 73 SER HB2 H 4.093 . . 717 73 73 SER HB3 H 3.973 . . 718 73 73 SER CA C 59.649 . . 719 73 73 SER CB C 64.077 . . 720 73 73 SER N N 113.308 . . 721 74 74 SER H H 7.914 . . 722 74 74 SER HA H 4.474 . . 723 74 74 SER HB2 H 3.943 . . 724 74 74 SER HB3 H 3.850 . . 725 74 74 SER CA C 59.101 . . 726 74 74 SER CB C 63.851 . . 727 74 74 SER N N 116.509 . . 728 75 75 LYS H H 8.130 . . 729 75 75 LYS HA H 4.325 . . 730 75 75 LYS HB2 H 1.840 . . 731 75 75 LYS HB3 H 1.721 . . 732 75 75 LYS HD2 H 1.657 . . 733 75 75 LYS HD3 H 1.657 . . 734 75 75 LYS HE2 H 2.978 . . 735 75 75 LYS HE3 H 2.978 . . 736 75 75 LYS HG2 H 1.415 . . 737 75 75 LYS HG3 H 1.415 . . 738 75 75 LYS CA C 56.442 . . 739 75 75 LYS CB C 32.858 . . 740 75 75 LYS CD C 29.106 . . 741 75 75 LYS CE C 42.581 . . 742 75 75 LYS CG C 24.735 . . 743 75 75 LYS N N 122.900 . . 744 76 76 ALA H H 8.220 . . 745 76 76 ALA HA H 4.340 . . 746 76 76 ALA HB H 1.421 . . 747 76 76 ALA CA C 52.907 . . 748 76 76 ALA CB C 19.315 . . 749 76 76 ALA N N 124.937 . . 750 77 77 GLY H H 8.353 . . 751 77 77 GLY CA C 45.405 . . 752 77 77 GLY N N 108.296 . . 753 78 78 SER H H 8.181 . . 754 78 78 SER HA H 4.472 . . 755 78 78 SER HB2 H 3.932 . . 756 78 78 SER HB3 H 3.847 . . 757 78 78 SER CA C 58.477 . . 758 78 78 SER CB C 64.091 . . 759 78 78 SER N N 115.467 . . 760 79 79 ASP H H 8.494 . . 761 79 79 ASP HA H 4.640 . . 762 79 79 ASP HB2 H 2.711 . . 763 79 79 ASP HB3 H 2.658 . . 764 79 79 ASP CA C 54.777 . . 765 79 79 ASP CB C 41.015 . . 766 79 79 ASP N N 122.409 . . 767 80 80 THR H H 8.016 . . 768 80 80 THR HA H 4.242 . . 769 80 80 THR HB H 4.245 . . 770 80 80 THR HG2 H 1.181 . . 771 80 80 THR CA C 62.458 . . 772 80 80 THR CB C 69.707 . . 773 80 80 THR CG2 C 21.340 . . 774 80 80 THR N N 113.817 . . 775 81 81 GLU H H 8.273 . . 776 81 81 GLU CA C 56.832 . . 777 81 81 GLU CB C 30.165 . . 778 81 81 GLU N N 123.037 . . 779 82 82 LEU H H 8.099 . . 780 82 82 LEU HA H 4.260 . . 781 82 82 LEU HB2 H 1.606 . . 782 82 82 LEU HB3 H 1.544 . . 783 82 82 LEU HD1 H 0.839 . . 784 82 82 LEU HD2 H 0.897 . . 785 82 82 LEU CA C 55.308 . . 786 82 82 LEU CB C 42.320 . . 787 82 82 LEU CD1 C 23.573 . . 788 82 82 LEU CD2 C 24.996 . . 789 82 82 LEU N N 122.786 . . 790 83 83 ALA H H 8.075 . . 791 83 83 ALA HA H 4.263 . . 792 83 83 ALA HB H 1.333 . . 793 83 83 ALA CA C 52.199 . . 794 83 83 ALA CB C 19.336 . . 795 83 83 ALA N N 124.360 . . 796 84 84 ALA H H 8.058 . . 797 84 84 ALA HA H 4.539 . . 798 84 84 ALA HB H 1.318 . . 799 84 84 ALA CA C 50.495 . . 800 84 84 ALA CB C 18.168 . . 801 84 84 ALA N N 124.390 . . 802 85 85 PRO HA H 4.387 . . 803 85 85 PRO HB2 H 2.268 . . 804 85 85 PRO HB3 H 1.865 . . 805 85 85 PRO HD2 H 3.762 . . 806 85 85 PRO HD3 H 3.596 . . 807 85 85 PRO HG2 H 1.995 . . 808 85 85 PRO HG3 H 1.995 . . 809 85 85 PRO CA C 63.125 . . 810 85 85 PRO CB C 32.176 . . 811 85 85 PRO CD C 50.487 . . 812 85 85 PRO CG C 27.495 . . 813 86 86 LYS H H 8.407 . . 814 86 86 LYS HA H 4.301 . . 815 86 86 LYS HB2 H 1.827 . . 816 86 86 LYS HB3 H 1.727 . . 817 86 86 LYS HD2 H 1.675 . . 818 86 86 LYS HD3 H 1.675 . . 819 86 86 LYS HE2 H 2.994 . . 820 86 86 LYS HE3 H 2.994 . . 821 86 86 LYS HG2 H 1.457 . . 822 86 86 LYS HG3 H 1.457 . . 823 86 86 LYS CA C 56.272 . . 824 86 86 LYS CB C 33.260 . . 825 86 86 LYS CD C 29.585 . . 826 86 86 LYS CE C 41.967 . . 827 86 86 LYS CG C 24.788 . . 828 86 86 LYS N N 121.711 . . 829 87 87 SER H H 8.285 . . 830 87 87 SER HA H 4.383 . . 831 87 87 SER HB2 H 3.839 . . 832 87 87 SER HB3 H 3.839 . . 833 87 87 SER CA C 58.275 . . 834 87 87 SER CB C 63.981 . . 835 87 87 SER N N 117.043 . . 836 88 88 LYS H H 8.329 . . 837 88 88 LYS HA H 4.323 . . 838 88 88 LYS HB2 H 1.847 . . 839 88 88 LYS HB3 H 1.711 . . 840 88 88 LYS HD2 H 1.612 . . 841 88 88 LYS HD3 H 1.612 . . 842 88 88 LYS HE2 H 2.947 . . 843 88 88 LYS HE3 H 2.950 . . 844 88 88 LYS HG2 H 1.415 . . 845 88 88 LYS HG3 H 1.415 . . 846 88 88 LYS CA C 56.365 . . 847 88 88 LYS CB C 33.260 . . 848 88 88 LYS CD C 29.585 . . 849 88 88 LYS CE C 42.129 . . 850 88 88 LYS CG C 24.683 . . 851 88 88 LYS N N 123.498 . . 852 89 89 ASN H H 7.994 . . 853 89 89 ASN HA H 4.432 . . 854 89 89 ASN HB2 H 2.733 . . 855 89 89 ASN HB3 H 2.615 . . 856 89 89 ASN CA C 54.910 . . 857 89 89 ASN CB C 40.446 . . 858 89 89 ASN N N 125.227 . . stop_ save_