data_18497 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of autoinhibitory domain of human AMP-activated protein kinase catalytic subunit ; _BMRB_accession_number 18497 _BMRB_flat_file_name bmr18497.str _Entry_type original _Submission_date 2012-06-01 _Accession_date 2012-06-01 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'autoinhibitory domain(AID)of human AMP-activated protein kinase catalytic subunit' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Xia Bin . . 2 Hu Jicheng . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 303 "13C chemical shifts" 231 "15N chemical shifts" 62 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-06-10 original author . stop_ _Original_release_date 2013-06-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of autoinhibitory domain of human AMP-activated protein kinase catalytic subunit' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Xia Bin . . 2 Hu Jicheng . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'autoinhibitory domain of human AMP-activated protein kinase catalytic subunit' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'autoinhibitory domain of human AMP-activated protein kinase catalytic subunit' $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 7026.763 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 62 _Mol_residue_sequence ; GPHMSYDANVIDDEAVKEVC EKFECTESEVMNSLYSGDPQ DQLAVAYHLIIDNRRIMNQA SE ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 HIS 4 MET 5 SER 6 TYR 7 ASP 8 ALA 9 ASN 10 VAL 11 ILE 12 ASP 13 ASP 14 GLU 15 ALA 16 VAL 17 LYS 18 GLU 19 VAL 20 CYS 21 GLU 22 LYS 23 PHE 24 GLU 25 CYS 26 THR 27 GLU 28 SER 29 GLU 30 VAL 31 MET 32 ASN 33 SER 34 LEU 35 TYR 36 SER 37 GLY 38 ASP 39 PRO 40 GLN 41 ASP 42 GLN 43 LEU 44 ALA 45 VAL 46 ALA 47 TYR 48 HIS 49 LEU 50 ILE 51 ILE 52 ASP 53 ASN 54 ARG 55 ARG 56 ILE 57 MET 58 ASN 59 GLN 60 ALA 61 SER 62 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 2LTU "Solution Structure Of Autoinhibitory Domain Of Human Amp-activated Protein Kinase Catalytic Subunit" 100.00 62 100.00 100.00 1.82e-37 PDB 4CFE "Structure Of Full Length Human Ampk In Complex With A Small Molecule Activator, A Benzimidazole Derivative (991)" 93.55 571 100.00 100.00 1.36e-30 PDB 4CFF "Structure Of Full Length Human Ampk In Complex With A Small Molecule Activator, A Thienopyridone Derivative (a-769662)" 93.55 571 100.00 100.00 1.36e-30 DBJ BAC31746 "unnamed protein product [Mus musculus]" 93.55 530 98.28 98.28 1.78e-29 DBJ BAE22188 "unnamed protein product [Mus musculus]" 93.55 538 100.00 100.00 1.11e-30 DBJ BAG36722 "unnamed protein product [Homo sapiens]" 93.55 552 100.00 100.00 1.17e-30 EMBL CAA82620 "AMP-activated protein kinase [Rattus norvegicus]" 93.55 552 100.00 100.00 1.25e-30 EMBL CAH90357 "hypothetical protein [Pongo abelii]" 93.55 552 100.00 100.00 1.11e-30 GB AAA64745 "AMP-activated protein kinase [Homo sapiens]" 93.55 552 100.00 100.00 1.02e-30 GB AAA85033 "5'-AMP-activated protein kinase catalytic alpha-2 subunit [Rattus norvegicus]" 93.55 552 100.00 100.00 1.13e-30 GB AAB32732 "AMP-activated protein kinase, AMPK [human, skeletal muscle, Peptide, 552 aa]" 93.55 552 100.00 100.00 1.09e-30 GB AAH69680 "Protein kinase, AMP-activated, alpha 2 catalytic subunit [Homo sapiens]" 93.55 552 100.00 100.00 1.09e-30 GB AAH69740 "AMP-activated protein kinase alpha 2 catalytic subunit [Homo sapiens]" 93.55 552 100.00 100.00 1.09e-30 REF NP_001075410 "5'-AMP-activated protein kinase catalytic subunit alpha-2 [Equus caballus]" 93.55 552 100.00 100.00 3.61e-31 REF NP_001106287 "5'-AMP-activated protein kinase catalytic subunit alpha-2 [Ovis aries]" 93.55 552 100.00 100.00 1.20e-30 REF NP_001125173 "5'-AMP-activated protein kinase catalytic subunit alpha-2 [Pongo abelii]" 93.55 552 100.00 100.00 1.11e-30 REF NP_001135554 "5'-AMP-activated protein kinase catalytic subunit alpha-2 [Xenopus (Silurana) tropicalis]" 93.55 551 100.00 100.00 1.27e-30 REF NP_001192534 "5'-AMP-activated protein kinase catalytic subunit alpha-2 [Bos taurus]" 93.55 552 100.00 100.00 1.20e-30 SP P54646 "RecName: Full=5'-AMP-activated protein kinase catalytic subunit alpha-2; Short=AMPK subunit alpha-2; AltName: Full=Acetyl-CoA c" 93.55 552 100.00 100.00 1.09e-30 SP Q09137 "RecName: Full=5'-AMP-activated protein kinase catalytic subunit alpha-2; Short=AMPK subunit alpha-2; AltName: Full=Acetyl-CoA c" 93.55 552 100.00 100.00 1.25e-30 SP Q28948 "RecName: Full=5'-AMP-activated protein kinase catalytic subunit alpha-2; Short=AMPK subunit alpha-2; AltName: Full=Acetyl-CoA c" 93.55 552 98.28 100.00 2.01e-30 SP Q5RD00 "RecName: Full=5'-AMP-activated protein kinase catalytic subunit alpha-2; Short=AMPK subunit alpha-2; AltName: Full=Acetyl-CoA c" 93.55 552 100.00 100.00 1.11e-30 SP Q8BRK8 "RecName: Full=5'-AMP-activated protein kinase catalytic subunit alpha-2; Short=AMPK subunit alpha-2; AltName: Full=Acetyl-CoA c" 93.55 552 100.00 100.00 1.18e-30 TPG DAA31222 "TPA: protein kinase, AMP-activated, alpha 2 catalytic subunit-like [Bos taurus]" 93.55 552 100.00 100.00 1.20e-30 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name _Details $entity 'recombinant technology' . Escherichia coli 'E. coli' BL21(DE3) pGEX 'GST fusion protein' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '15N/13C labeled AID protein' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.2 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' D2O 10 % '[U-100% 2H]' H2O 90 % 'natural abundance' EDTA 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_DYANA _Saveframe_category software _Name DYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Braun and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details cryo-probe save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCACO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'autoinhibitory domain of human AMP-activated protein kinase catalytic subunit' _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 2 2 PRO HA H 4.430 0.03 1 2 2 2 PRO HB2 H 2.234 0.03 2 3 2 2 PRO HB3 H 1.840 0.03 2 4 2 2 PRO CA C 62.947 0.3 1 5 2 2 PRO CB C 32.130 0.3 1 6 3 3 HIS H H 8.526 0.03 1 7 3 3 HIS HA H 4.606 0.03 1 8 3 3 HIS HB2 H 3.113 0.03 2 9 3 3 HIS C C 176.587 0.3 1 10 3 3 HIS CA C 56.185 0.3 1 11 3 3 HIS CB C 30.471 0.3 1 12 3 3 HIS N N 119.985 0.3 1 13 4 4 MET H H 8.337 0.03 1 14 4 4 MET HA H 4.448 0.03 1 15 4 4 MET HB3 H 1.913 0.03 2 16 4 4 MET HG3 H 2.454 0.03 2 17 4 4 MET C C 175.108 0.3 1 18 4 4 MET CA C 55.562 0.3 1 19 4 4 MET CB C 33.141 0.3 1 20 4 4 MET N N 122.338 0.3 1 21 5 5 SER H H 8.330 0.03 1 22 5 5 SER HA H 4.400 0.03 1 23 5 5 SER HB3 H 3.800 0.03 2 24 5 5 SER C C 177.979 0.3 1 25 5 5 SER CA C 58.039 0.3 1 26 5 5 SER CB C 63.797 0.3 1 27 5 5 SER N N 116.990 0.3 1 28 6 6 TYR H H 8.201 0.03 1 29 6 6 TYR HA H 4.510 0.03 1 30 6 6 TYR HB2 H 2.990 0.03 2 31 6 6 TYR HB3 H 2.890 0.03 2 32 6 6 TYR C C 174.060 0.3 1 33 6 6 TYR CA C 57.800 0.3 1 34 6 6 TYR CB C 38.685 0.3 1 35 6 6 TYR N N 122.027 0.3 1 36 7 7 ASP H H 8.119 0.03 1 37 7 7 ASP HA H 4.549 0.03 1 38 7 7 ASP HB2 H 2.717 0.03 2 39 7 7 ASP HB3 H 2.568 0.03 2 40 7 7 ASP C C 175.150 0.3 1 41 7 7 ASP CA C 53.640 0.3 1 42 7 7 ASP CB C 41.300 0.3 1 43 7 7 ASP N N 122.439 0.3 1 44 8 8 ALA H H 8.235 0.03 1 45 8 8 ALA HA H 4.230 0.03 1 46 8 8 ALA HB H 1.410 0.03 1 47 8 8 ALA C C 175.935 0.3 1 48 8 8 ALA CA C 52.893 0.3 1 49 8 8 ALA CB C 18.850 0.3 1 50 8 8 ALA N N 124.655 0.3 1 51 9 9 ASN H H 8.417 0.03 1 52 9 9 ASN HA H 4.690 0.03 1 53 9 9 ASN HB3 H 2.810 0.03 2 54 9 9 ASN HD21 H 6.915 0.03 2 55 9 9 ASN HD22 H 7.690 0.03 2 56 9 9 ASN C C 177.718 0.3 1 57 9 9 ASN CA C 53.800 0.3 1 58 9 9 ASN CB C 38.770 0.3 1 59 9 9 ASN N N 116.133 0.3 1 60 9 9 ASN ND2 N 113.740 0.3 1 61 10 10 VAL H H 7.859 0.03 1 62 10 10 VAL HA H 4.177 0.03 1 63 10 10 VAL HB H 2.110 0.03 1 64 10 10 VAL HG2 H 0.930 0.03 2 65 10 10 VAL C C 174.930 0.3 1 66 10 10 VAL CA C 61.880 0.3 1 67 10 10 VAL CB C 32.660 0.3 1 68 10 10 VAL CG2 C 20.710 0.3 1 69 10 10 VAL N N 119.557 0.3 1 70 11 11 ILE H H 8.283 0.03 1 71 11 11 ILE HA H 4.040 0.03 1 72 11 11 ILE HB H 1.856 0.03 1 73 11 11 ILE HG12 H 1.390 0.03 1 74 11 11 ILE HG13 H 1.270 0.03 1 75 11 11 ILE HG2 H 0.700 0.03 2 76 11 11 ILE HD1 H 0.640 0.03 1 77 11 11 ILE C C 175.935 0.3 1 78 11 11 ILE CA C 59.500 0.3 1 79 11 11 ILE CB C 37.700 0.3 1 80 11 11 ILE CG1 C 27.400 0.3 2 81 11 11 ILE CG2 C 17.800 0.3 1 82 11 11 ILE CD1 C 11.200 0.3 1 83 11 11 ILE N N 126.561 0.3 1 84 12 12 ASP H H 8.477 0.03 1 85 12 12 ASP HA H 4.730 0.03 1 86 12 12 ASP HB2 H 3.034 0.03 2 87 12 12 ASP HB3 H 2.470 0.03 2 88 12 12 ASP C C 174.891 0.3 1 89 12 12 ASP CA C 53.427 0.3 1 90 12 12 ASP CB C 42.220 0.3 1 91 12 12 ASP N N 128.161 0.3 1 92 13 13 ASP H H 8.698 0.03 1 93 13 13 ASP HA H 4.316 0.03 1 94 13 13 ASP HB2 H 2.680 0.03 2 95 13 13 ASP HB3 H 2.680 0.03 2 96 13 13 ASP C C 175.369 0.3 1 97 13 13 ASP CA C 57.600 0.3 1 98 13 13 ASP CB C 41.160 0.3 1 99 13 13 ASP N N 127.435 0.3 1 100 14 14 GLU H H 8.205 0.03 1 101 14 14 GLU HA H 4.035 0.03 1 102 14 14 GLU HB2 H 2.060 0.03 2 103 14 14 GLU HB3 H 2.130 0.03 2 104 14 14 GLU HG2 H 2.400 0.03 2 105 14 14 GLU HG3 H 2.300 0.03 2 106 14 14 GLU C C 178.588 0.3 1 107 14 14 GLU CA C 59.500 0.3 1 108 14 14 GLU CB C 28.900 0.3 1 109 14 14 GLU CG C 36.600 0.3 1 110 14 14 GLU N N 119.796 0.3 1 111 15 15 ALA H H 8.473 0.03 1 112 15 15 ALA HA H 4.176 0.03 1 113 15 15 ALA HB H 1.260 0.03 1 114 15 15 ALA C C 179.502 0.3 1 115 15 15 ALA CA C 55.000 0.3 1 116 15 15 ALA CB C 18.900 0.3 1 117 15 15 ALA N N 124.156 0.3 1 118 16 16 VAL H H 8.181 0.03 1 119 16 16 VAL HA H 3.534 0.03 1 120 16 16 VAL HB H 2.420 0.03 1 121 16 16 VAL HG1 H 0.910 0.03 2 122 16 16 VAL HG2 H 1.050 0.03 2 123 16 16 VAL C C 179.545 0.3 1 124 16 16 VAL CA C 68.000 0.3 1 125 16 16 VAL CB C 31.600 0.3 1 126 16 16 VAL CG1 C 21.500 0.3 1 127 16 16 VAL CG2 C 24.300 0.3 1 128 16 16 VAL N N 117.585 0.3 1 129 17 17 LYS H H 8.001 0.03 1 130 17 17 LYS HA H 3.956 0.03 1 131 17 17 LYS HB2 H 1.980 0.03 2 132 17 17 LYS HB3 H 1.980 0.03 2 133 17 17 LYS HG2 H 1.630 0.03 2 134 17 17 LYS HG3 H 1.474 0.03 2 135 17 17 LYS HD2 H 1.930 0.03 2 136 17 17 LYS HE2 H 2.984 0.03 2 137 17 17 LYS C C 178.197 0.3 1 138 17 17 LYS CA C 60.020 0.3 1 139 17 17 LYS CB C 32.130 0.3 1 140 17 17 LYS CG C 25.200 0.3 1 141 17 17 LYS CD C 29.200 0.3 1 142 17 17 LYS CE C 41.950 0.3 1 143 17 17 LYS N N 119.377 0.3 1 144 18 18 GLU H H 7.943 0.03 1 145 18 18 GLU HA H 4.140 0.03 1 146 18 18 GLU HB2 H 2.229 0.03 2 147 18 18 GLU HB3 H 2.171 0.03 2 148 18 18 GLU HG2 H 2.170 0.03 2 149 18 18 GLU HG3 H 2.460 0.03 2 150 18 18 GLU C C 178.849 0.3 1 151 18 18 GLU CA C 59.800 0.3 1 152 18 18 GLU CB C 29.493 0.3 1 153 18 18 GLU CG C 36.380 0.3 1 154 18 18 GLU N N 120.395 0.3 1 155 19 19 VAL H H 8.335 0.03 1 156 19 19 VAL HA H 3.650 0.03 1 157 19 19 VAL HB H 2.420 0.03 1 158 19 19 VAL HG1 H 1.060 0.03 2 159 19 19 VAL HG2 H 1.185 0.03 2 160 19 19 VAL C C 179.415 0.3 1 161 19 19 VAL CA C 67.980 0.3 1 162 19 19 VAL CB C 31.600 0.3 1 163 19 19 VAL CG1 C 23.900 0.3 1 164 19 19 VAL CG2 C 23.890 0.3 1 165 19 19 VAL N N 121.088 0.3 1 166 20 20 CYS H H 8.434 0.03 1 167 20 20 CYS HA H 4.680 0.03 1 168 20 20 CYS HB2 H 3.240 0.03 2 169 20 20 CYS HB3 H 3.011 0.03 2 170 20 20 CYS C C 178.110 0.3 1 171 20 20 CYS CA C 63.200 0.3 1 172 20 20 CYS CB C 26.800 0.3 1 173 20 20 CYS N N 117.290 0.3 1 174 21 21 GLU H H 7.972 0.03 1 175 21 21 GLU HA H 4.139 0.03 1 176 21 21 GLU HB2 H 2.180 0.03 2 177 21 21 GLU HB3 H 2.130 0.03 2 178 21 21 GLU HG2 H 2.170 0.03 2 179 21 21 GLU HG3 H 2.470 0.03 2 180 21 21 GLU C C 178.153 0.3 1 181 21 21 GLU CA C 59.750 0.3 1 182 21 21 GLU CB C 29.500 0.3 1 183 21 21 GLU CG C 36.380 0.3 1 184 21 21 GLU N N 118.195 0.3 1 185 22 22 LYS H H 8.071 0.03 1 186 22 22 LYS HA H 4.005 0.03 1 187 22 22 LYS HB2 H 1.892 0.03 2 188 22 22 LYS HB3 H 1.652 0.03 2 189 22 22 LYS HG2 H 1.330 0.03 2 190 22 22 LYS HG3 H 1.005 0.03 2 191 22 22 LYS HD2 H 1.560 0.03 2 192 22 22 LYS C C 179.371 0.3 1 193 22 22 LYS CA C 58.700 0.3 1 194 22 22 LYS CB C 32.920 0.3 1 195 22 22 LYS CG C 24.960 0.3 1 196 22 22 LYS CD C 28.700 0.3 1 197 22 22 LYS N N 119.095 0.3 1 198 23 23 PHE H H 8.491 0.03 1 199 23 23 PHE HA H 4.430 0.03 1 200 23 23 PHE HB2 H 3.195 0.03 2 201 23 23 PHE HB3 H 2.830 0.03 2 202 23 23 PHE HD2 H 7.475 0.03 3 203 23 23 PHE HE1 H 7.350 0.03 3 204 23 23 PHE HE2 H 7.240 0.03 3 205 23 23 PHE C C 178.197 0.3 1 206 23 23 PHE CA C 58.430 0.3 1 207 23 23 PHE CB C 38.770 0.3 1 208 23 23 PHE N N 114.252 0.3 1 209 24 24 GLU H H 7.867 0.03 1 210 24 24 GLU HA H 4.070 0.03 1 211 24 24 GLU HB2 H 2.180 0.03 2 212 24 24 GLU HB3 H 2.180 0.03 2 213 24 24 GLU HG2 H 2.210 0.03 2 214 24 24 GLU HG3 H 2.125 0.03 2 215 24 24 GLU C C 177.457 0.3 1 216 24 24 GLU CA C 56.830 0.3 1 217 24 24 GLU CB C 26.800 0.3 1 218 24 24 GLU CG C 36.900 0.3 1 219 24 24 GLU N N 119.819 0.3 1 220 25 25 CYS H H 8.156 0.03 1 221 25 25 CYS HA H 5.387 0.03 1 222 25 25 CYS HB2 H 3.450 0.03 2 223 25 25 CYS HB3 H 2.560 0.03 2 224 25 25 CYS C C 174.760 0.3 1 225 25 25 CYS CA C 54.761 0.3 1 226 25 25 CYS CB C 31.600 0.3 1 227 25 25 CYS N N 114.633 0.3 1 228 26 26 THR H H 8.460 0.03 1 229 26 26 THR HA H 4.770 0.03 1 230 26 26 THR HB H 4.667 0.03 1 231 26 26 THR HG2 H 1.308 0.03 1 232 26 26 THR C C 173.499 0.3 1 233 26 26 THR CA C 60.723 0.3 1 234 26 26 THR CB C 72.000 0.3 1 235 26 26 THR CG2 C 21.500 0.3 1 236 26 26 THR N N 109.312 0.3 1 237 27 27 GLU H H 9.327 0.03 1 238 27 27 GLU HA H 3.510 0.03 1 239 27 27 GLU HB2 H 2.040 0.03 2 240 27 27 GLU HB3 H 1.980 0.03 2 241 27 27 GLU HG2 H 2.325 0.03 2 242 27 27 GLU HG3 H 2.253 0.03 2 243 27 27 GLU C C 176.544 0.3 1 244 27 27 GLU CA C 60.550 0.3 1 245 27 27 GLU CB C 28.950 0.3 1 246 27 27 GLU CG C 36.640 0.3 1 247 27 27 GLU N N 122.233 0.3 1 248 28 28 SER H H 8.320 0.03 1 249 28 28 SER HA H 4.062 0.03 1 250 28 28 SER HB2 H 3.840 0.03 2 251 28 28 SER HB3 H 3.840 0.03 2 252 28 28 SER C C 178.545 0.3 1 253 28 28 SER CA C 61.350 0.3 1 254 28 28 SER CB C 62.400 0.3 1 255 28 28 SER N N 112.925 0.3 1 256 29 29 GLU H H 7.512 0.03 1 257 29 29 GLU HA H 3.990 0.03 1 258 29 29 GLU HB2 H 2.318 0.03 2 259 29 29 GLU HB3 H 1.937 0.03 2 260 29 29 GLU HG2 H 2.280 0.03 2 261 29 29 GLU HG3 H 2.280 0.03 2 262 29 29 GLU C C 176.674 0.3 1 263 29 29 GLU CA C 59.750 0.3 1 264 29 29 GLU CB C 29.470 0.3 1 265 29 29 GLU CG C 37.924 0.3 1 266 29 29 GLU N N 121.736 0.3 1 267 30 30 VAL H H 7.492 0.03 1 268 30 30 VAL HA H 3.377 0.03 1 269 30 30 VAL HB H 2.086 0.03 1 270 30 30 VAL HG1 H 0.740 0.03 2 271 30 30 VAL HG2 H 1.060 0.03 2 272 30 30 VAL C C 179.241 0.3 1 273 30 30 VAL CA C 66.660 0.3 1 274 30 30 VAL CB C 31.070 0.3 1 275 30 30 VAL CG1 C 21.240 0.3 1 276 30 30 VAL CG2 C 24.420 0.3 1 277 30 30 VAL N N 119.480 0.3 1 278 31 31 MET H H 8.302 0.03 1 279 31 31 MET HA H 3.870 0.03 1 280 31 31 MET HB2 H 2.067 0.03 2 281 31 31 MET HB3 H 1.900 0.03 2 282 31 31 MET HG2 H 2.650 0.03 2 283 31 31 MET HG3 H 2.510 0.03 2 284 31 31 MET C C 177.936 0.3 1 285 31 31 MET CA C 57.630 0.3 1 286 31 31 MET CB C 30.270 0.3 1 287 31 31 MET CG C 32.130 0.3 1 288 31 31 MET N N 117.220 0.3 1 289 32 32 ASN H H 8.313 0.03 1 290 32 32 ASN HA H 4.390 0.03 1 291 32 32 ASN HB2 H 2.800 0.03 2 292 32 32 ASN HB3 H 2.860 0.03 2 293 32 32 ASN C C 176.065 0.3 1 294 32 32 ASN CA C 56.030 0.3 1 295 32 32 ASN CB C 37.710 0.3 1 296 32 32 ASN N N 116.672 0.3 1 297 33 33 SER H H 7.851 0.03 1 298 33 33 SER HA H 4.150 0.03 1 299 33 33 SER HB2 H 3.790 0.03 2 300 33 33 SER HB3 H 3.947 0.03 2 301 33 33 SER C C 178.806 0.3 1 302 33 33 SER CA C 62.950 0.3 1 303 33 33 SER CB C 62.600 0.3 1 304 33 33 SER N N 117.471 0.3 1 305 34 34 LEU H H 8.128 0.03 1 306 34 34 LEU HA H 3.879 0.03 1 307 34 34 LEU HB2 H 1.530 0.03 2 308 34 34 LEU HB3 H 0.930 0.03 2 309 34 34 LEU HG H 1.379 0.03 1 310 34 34 LEU HD1 H -0.051 0.03 2 311 34 34 LEU HD2 H 0.310 0.03 2 312 34 34 LEU C C 177.892 0.3 1 313 34 34 LEU CA C 57.630 0.3 1 314 34 34 LEU CB C 40.800 0.3 1 315 34 34 LEU CG C 26.020 0.3 1 316 34 34 LEU CD1 C 23.890 0.3 1 317 34 34 LEU CD2 C 22.030 0.3 1 318 34 34 LEU N N 122.839 0.3 1 319 35 35 TYR H H 7.924 0.03 1 320 35 35 TYR HA H 4.610 0.03 1 321 35 35 TYR HB2 H 3.272 0.03 2 322 35 35 TYR HB3 H 2.851 0.03 2 323 35 35 TYR C C 179.067 0.3 1 324 35 35 TYR CA C 57.890 0.3 1 325 35 35 TYR CB C 37.710 0.3 1 326 35 35 TYR N N 116.666 0.3 1 327 36 36 SER H H 7.715 0.03 1 328 36 36 SER HA H 4.080 0.03 1 329 36 36 SER HB2 H 4.210 0.03 2 330 36 36 SER HB3 H 4.280 0.03 2 331 36 36 SER C C 177.283 0.3 1 332 36 36 SER CA C 60.519 0.3 1 333 36 36 SER CB C 64.240 0.3 1 334 36 36 SER N N 114.801 0.3 1 335 37 37 GLY H H 8.017 0.03 1 336 37 37 GLY HA2 H 4.100 0.03 2 337 37 37 GLY HA3 H 3.790 0.03 2 338 37 37 GLY C C 175.978 0.3 1 339 37 37 GLY CA C 45.678 0.3 1 340 37 37 GLY N N 109.803 0.3 1 341 38 38 ASP H H 8.006 0.03 1 342 38 38 ASP HA H 5.025 0.03 1 343 38 38 ASP HB2 H 2.570 0.03 2 344 38 38 ASP HB3 H 2.950 0.03 2 345 38 38 ASP C C 173.368 0.3 1 346 38 38 ASP CA C 50.720 0.3 1 347 38 38 ASP CB C 41.420 0.3 1 348 38 38 ASP N N 120.613 0.3 1 349 39 39 PRO HA H 4.340 0.03 1 350 39 39 PRO HB2 H 2.220 0.03 2 351 39 39 PRO HB3 H 1.822 0.03 2 352 39 39 PRO HG2 H 2.030 0.03 2 353 39 39 PRO HG3 H 1.970 0.03 2 354 39 39 PRO CA C 63.750 0.3 1 355 39 39 PRO CB C 32.130 0.3 1 356 39 39 PRO CG C 26.800 0.3 1 357 39 39 PRO CD C 49.579 0.3 1 358 40 40 GLN H H 8.237 0.03 1 359 40 40 GLN HA H 4.280 0.03 1 360 40 40 GLN HB2 H 2.269 0.03 2 361 40 40 GLN HB3 H 1.990 0.03 2 362 40 40 GLN HG2 H 2.350 0.03 2 363 40 40 GLN HG3 H 2.250 0.03 2 364 40 40 GLN HE21 H 6.960 0.03 2 365 40 40 GLN HE22 H 7.480 0.03 2 366 40 40 GLN C C 177.066 0.3 1 367 40 40 GLN CA C 54.710 0.3 1 368 40 40 GLN CB C 28.680 0.3 1 369 40 40 GLN CG C 34.250 0.3 1 370 40 40 GLN N N 115.056 0.3 1 371 40 40 GLN NE2 N 111.960 0.3 1 372 41 41 ASP H H 7.211 0.03 1 373 41 41 ASP HA H 4.313 0.03 1 374 41 41 ASP HB2 H 2.700 0.03 2 375 41 41 ASP HB3 H 2.700 0.03 2 376 41 41 ASP C C 175.804 0.3 1 377 41 41 ASP CA C 55.240 0.3 1 378 41 41 ASP CB C 42.220 0.3 1 379 41 41 ASP N N 122.839 0.3 1 380 42 42 GLN H H 8.719 0.03 1 381 42 42 GLN HA H 3.860 0.03 1 382 42 42 GLN HB2 H 2.040 0.03 2 383 42 42 GLN HB3 H 2.040 0.03 2 384 42 42 GLN HG2 H 2.270 0.03 2 385 42 42 GLN HG3 H 2.200 0.03 2 386 42 42 GLN C C 177.196 0.3 1 387 42 42 GLN CA C 59.220 0.3 1 388 42 42 GLN CB C 28.400 0.3 1 389 42 42 GLN CG C 33.362 0.3 1 390 42 42 GLN N N 124.547 0.3 1 391 43 43 LEU H H 8.206 0.03 1 392 43 43 LEU HA H 3.685 0.03 1 393 43 43 LEU HB2 H 1.930 0.03 2 394 43 43 LEU HB3 H 1.058 0.03 2 395 43 43 LEU HG H 1.520 0.03 1 396 43 43 LEU HD1 H 0.760 0.03 2 397 43 43 LEU HD2 H 0.214 0.03 2 398 43 43 LEU C C 178.066 0.3 1 399 43 43 LEU CA C 57.360 0.3 1 400 43 43 LEU CB C 40.390 0.3 1 401 43 43 LEU CG C 26.820 0.3 1 402 43 43 LEU CD1 C 24.960 0.3 1 403 43 43 LEU CD2 C 22.030 0.3 1 404 43 43 LEU N N 118.960 0.3 1 405 44 44 ALA H H 7.402 0.03 1 406 44 44 ALA HA H 3.879 0.03 1 407 44 44 ALA HB H 1.410 0.03 1 408 44 44 ALA C C 178.327 0.3 1 409 44 44 ALA CA C 54.710 0.3 1 410 44 44 ALA CB C 18.580 0.3 1 411 44 44 ALA N N 121.666 0.3 1 412 45 45 VAL H H 8.449 0.03 1 413 45 45 VAL HA H 3.660 0.03 1 414 45 45 VAL HB H 1.949 0.03 1 415 45 45 VAL HG1 H 0.730 0.03 2 416 45 45 VAL HG2 H 0.990 0.03 2 417 45 45 VAL C C 179.893 0.3 1 418 45 45 VAL CA C 66.400 0.3 1 419 45 45 VAL CB C 32.131 0.3 1 420 45 45 VAL CG1 C 21.230 0.3 1 421 45 45 VAL CG2 C 23.360 0.3 1 422 45 45 VAL N N 118.589 0.3 1 423 46 46 ALA H H 7.654 0.03 1 424 46 46 ALA HA H 4.130 0.03 1 425 46 46 ALA HB H 1.610 0.03 1 426 46 46 ALA C C 179.110 0.3 1 427 46 46 ALA CA C 54.970 0.3 1 428 46 46 ALA CB C 19.110 0.3 1 429 46 46 ALA N N 121.006 0.3 1 430 47 47 TYR H H 8.077 0.03 1 431 47 47 TYR HA H 3.750 0.03 1 432 47 47 TYR HB2 H 3.090 0.03 2 433 47 47 TYR HB3 H 2.770 0.03 2 434 47 47 TYR HD2 H 6.200 0.03 3 435 47 47 TYR C C 179.328 0.3 1 436 47 47 TYR CA C 61.880 0.3 1 437 47 47 TYR CB C 38.500 0.3 1 438 47 47 TYR N N 119.140 0.3 1 439 48 48 HIS H H 8.326 0.03 1 440 48 48 HIS HA H 4.100 0.03 1 441 48 48 HIS HB2 H 3.210 0.03 2 442 48 48 HIS HB3 H 3.210 0.03 2 443 48 48 HIS C C 178.023 0.3 1 444 48 48 HIS CA C 60.020 0.3 1 445 48 48 HIS CB C 28.940 0.3 1 446 48 48 HIS N N 116.422 0.3 1 447 49 49 LEU H H 8.237 0.03 1 448 49 49 LEU HA H 4.155 0.03 1 449 49 49 LEU HB2 H 1.835 0.03 2 450 49 49 LEU HB3 H 1.710 0.03 2 451 49 49 LEU HG H 1.760 0.03 1 452 49 49 LEU HD1 H 0.940 0.03 2 453 49 49 LEU HD2 H 0.940 0.03 2 454 49 49 LEU C C 177.417 0.3 1 455 49 49 LEU CA C 57.890 0.3 1 456 49 49 LEU CB C 41.960 0.3 1 457 49 49 LEU CG C 26.800 0.3 1 458 49 49 LEU CD1 C 24.700 0.3 1 459 49 49 LEU CD2 C 20.700 0.3 1 460 49 49 LEU N N 120.974 0.3 1 461 50 50 ILE H H 7.543 0.03 1 462 50 50 ILE HA H 3.620 0.03 1 463 50 50 ILE HB H 1.820 0.03 1 464 50 50 ILE HG12 H 1.720 0.03 1 465 50 50 ILE HG13 H 1.070 0.03 1 466 50 50 ILE HG2 H 0.760 0.03 2 467 50 50 ILE HD1 H 0.880 0.03 1 468 50 50 ILE C C 179.502 0.3 1 469 50 50 ILE CA C 65.060 0.3 1 470 50 50 ILE CB C 37.970 0.3 1 471 50 50 ILE CG1 C 29.200 0.3 2 472 50 50 ILE CG2 C 17.300 0.3 1 473 50 50 ILE CD1 C 14.860 0.3 1 474 50 50 ILE N N 119.715 0.3 1 475 51 51 ILE H H 7.475 0.03 1 476 51 51 ILE HA H 3.540 0.03 1 477 51 51 ILE HB H 1.870 0.03 1 478 51 51 ILE HG12 H 1.180 0.03 1 479 51 51 ILE HG13 H 0.900 0.03 1 480 51 51 ILE HG2 H 0.780 0.03 2 481 51 51 ILE HD1 H 0.480 0.03 1 482 51 51 ILE C C 179.197 0.3 1 483 51 51 ILE CA C 63.740 0.3 1 484 51 51 ILE CB C 36.650 0.3 1 485 51 51 ILE CG1 C 27.100 0.3 2 486 51 51 ILE CG2 C 17.520 0.3 1 487 51 51 ILE CD1 C 11.940 0.3 1 488 51 51 ILE N N 117.995 0.3 1 489 52 52 ASP H H 8.559 0.03 1 490 52 52 ASP HA H 4.440 0.03 1 491 52 52 ASP HB2 H 2.790 0.03 2 492 52 52 ASP HB3 H 2.650 0.03 2 493 52 52 ASP C C 179.197 0.3 1 494 52 52 ASP CA C 57.100 0.3 1 495 52 52 ASP CB C 40.300 0.3 1 496 52 52 ASP N N 121.642 0.3 1 497 53 53 ASN H H 8.106 0.03 1 498 53 53 ASN HA H 4.610 0.03 1 499 53 53 ASN HB2 H 2.990 0.03 2 500 53 53 ASN HB3 H 2.880 0.03 2 501 53 53 ASN HD21 H 6.920 0.03 2 502 53 53 ASN HD22 H 7.610 0.03 2 503 53 53 ASN C C 178.545 0.3 1 504 53 53 ASN CA C 54.700 0.3 1 505 53 53 ASN CB C 38.700 0.3 1 506 53 53 ASN N N 117.131 0.3 1 507 53 53 ASN ND2 N 112.660 0.3 1 508 54 54 ARG H H 7.797 0.03 1 509 54 54 ARG HA H 4.120 0.03 1 510 54 54 ARG HB2 H 1.960 0.03 2 511 54 54 ARG HB3 H 1.900 0.03 2 512 54 54 ARG HG2 H 1.700 0.03 2 513 54 54 ARG HG3 H 1.880 0.03 2 514 54 54 ARG HD2 H 3.160 0.03 2 515 54 54 ARG HD3 H 3.120 0.03 2 516 54 54 ARG C C 176.892 0.3 1 517 54 54 ARG CA C 58.160 0.3 1 518 54 54 ARG CB C 30.270 0.3 1 519 54 54 ARG CG C 27.080 0.3 1 520 54 54 ARG CD C 43.820 0.3 1 521 54 54 ARG N N 119.929 0.3 1 522 55 55 ARG H H 7.857 0.03 1 523 55 55 ARG HA H 4.174 0.03 1 524 55 55 ARG HB2 H 2.120 0.03 2 525 55 55 ARG HB3 H 2.120 0.03 2 526 55 55 ARG HG2 H 0.930 0.03 2 527 55 55 ARG HG3 H 0.930 0.03 2 528 55 55 ARG C C 175.108 0.3 1 529 55 55 ARG CA C 61.880 0.3 1 530 55 55 ARG CB C 32.660 0.3 1 531 55 55 ARG CG C 20.700 0.3 1 532 55 55 ARG N N 119.227 0.3 1 533 56 56 ILE H H 8.317 0.03 1 534 56 56 ILE HA H 4.010 0.03 1 535 56 56 ILE HB H 1.920 0.03 1 536 56 56 ILE HG12 H 1.550 0.03 1 537 56 56 ILE HG13 H 1.220 0.03 1 538 56 56 ILE HG2 H 0.910 0.03 2 539 56 56 ILE HD1 H 0.870 0.03 1 540 56 56 ILE C C 176.065 0.3 1 541 56 56 ILE CA C 62.140 0.3 1 542 56 56 ILE CB C 38.240 0.3 1 543 56 56 ILE CG1 C 27.800 0.3 2 544 56 56 ILE CG2 C 17.250 0.3 1 545 56 56 ILE CD1 C 12.740 0.3 1 546 56 56 ILE N N 116.676 0.3 1 547 57 57 MET H H 8.177 0.03 1 548 57 57 MET HA H 4.420 0.03 1 549 57 57 MET HB2 H 2.100 0.03 2 550 57 57 MET HB3 H 2.060 0.03 2 551 57 57 MET C C 177.283 0.3 1 552 57 57 MET CA C 56.030 0.3 1 553 57 57 MET CB C 32.515 0.3 1 554 57 57 MET N N 122.058 0.3 1 555 58 58 ASN H H 8.238 0.03 1 556 58 58 ASN HA H 4.690 0.03 1 557 58 58 ASN HB2 H 2.860 0.03 2 558 58 58 ASN HB3 H 2.810 0.03 2 559 58 58 ASN C C 176.500 0.3 1 560 58 58 ASN CA C 53.653 0.3 1 561 58 58 ASN CB C 38.770 0.3 1 562 58 58 ASN N N 118.892 0.3 1 563 59 59 GLN H H 8.196 0.03 1 564 59 59 GLN HA H 4.310 0.03 1 565 59 59 GLN HB2 H 2.132 0.03 2 566 59 59 GLN HB3 H 2.017 0.03 2 567 59 59 GLN HG3 H 2.400 0.03 2 568 59 59 GLN C C 175.326 0.3 1 569 59 59 GLN CA C 56.030 0.3 1 570 59 59 GLN CB C 28.800 0.3 1 571 59 59 GLN CG C 33.700 0.3 1 572 59 59 GLN N N 120.456 0.3 1 573 60 60 ALA H H 8.293 0.03 1 574 60 60 ALA HA H 4.382 0.03 1 575 60 60 ALA HB H 1.440 0.03 1 576 60 60 ALA CA C 52.300 0.3 1 577 60 60 ALA CB C 19.110 0.3 1 578 60 60 ALA N N 125.116 0.3 1 579 61 61 SER H H 8.290 0.03 1 580 61 61 SER HA H 4.470 0.03 1 581 61 61 SER HB3 H 3.880 0.03 2 582 61 61 SER C C 175.674 0.3 1 583 61 61 SER CA C 58.160 0.3 1 584 61 61 SER CB C 63.740 0.3 1 585 61 61 SER N N 115.686 0.3 1 586 62 62 GLU H H 7.999 0.03 1 587 62 62 GLU HA H 4.127 0.03 1 588 62 62 GLU HB2 H 1.900 0.03 2 589 62 62 GLU HB3 H 1.900 0.03 2 590 62 62 GLU HG2 H 2.170 0.03 2 591 62 62 GLU HG3 H 2.170 0.03 2 592 62 62 GLU C C 177.675 0.3 1 593 62 62 GLU CA C 58.100 0.3 1 594 62 62 GLU CB C 31.100 0.3 1 595 62 62 GLU CG C 36.400 0.3 1 596 62 62 GLU N N 127.521 0.3 1 stop_ save_