data_11354 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of PHD domain in ING1-like protein BAC25079 ; _BMRB_accession_number 11354 _BMRB_flat_file_name bmr11354.str _Entry_type original _Submission_date 2010-09-07 _Accession_date 2010-09-07 _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 He F. . . 2 Muto Y. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Shirouzu M. . . 6 Terada T. . . 7 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 382 "13C chemical shifts" 287 "15N chemical shifts" 65 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-07 original author . stop_ _Original_release_date 2011-09-07 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of PHD domain in ING1-like protein BAC25079' _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 He F. . . 2 Muto Y. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Shirouzu M. . . 6 Terada T. . . 7 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'inhibitor of growth family, member 4 ING1-like protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PHD domain' $entity_1 'ZINC ION no.1' $ZN 'ZINC ION no.2' $ZN 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_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'PHD domain' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 71 _Mol_residue_sequence ; GSSGSSGDMPVDPNEPTYCL CHQVSYGEMIGCDNPDCSIE WFHFACVGLTTKPRGKWFCP RCSQESGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ASP 9 MET 10 PRO 11 VAL 12 ASP 13 PRO 14 ASN 15 GLU 16 PRO 17 THR 18 TYR 19 CYS 20 LEU 21 CYS 22 HIS 23 GLN 24 VAL 25 SER 26 TYR 27 GLY 28 GLU 29 MET 30 ILE 31 GLY 32 CYS 33 ASP 34 ASN 35 PRO 36 ASP 37 CYS 38 SER 39 ILE 40 GLU 41 TRP 42 PHE 43 HIS 44 PHE 45 ALA 46 CYS 47 VAL 48 GLY 49 LEU 50 THR 51 THR 52 LYS 53 PRO 54 ARG 55 GLY 56 LYS 57 TRP 58 PHE 59 CYS 60 PRO 61 ARG 62 CYS 63 SER 64 GLN 65 GLU 66 SER 67 GLY 68 PRO 69 SER 70 SER 71 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1WEN "Solution Structure Of Phd Domain In Ing1-Like Protein Bac25079" 100.00 71 100.00 100.00 5.19e-44 PDB 1WEU "Solution Structure Of Phd Domain In Ing1-Like Protein Bac25009" 90.14 91 100.00 100.00 4.90e-40 PDB 2K1J "Plan Homeodomain Finger Of Tumour Supressor Ing4" 83.10 63 98.31 98.31 4.27e-36 PDB 2PNX "The Phd Finger Of Ing4 In Complex With An H3k4me3 Histone Peptide" 73.24 55 100.00 100.00 5.24e-31 PDB 2VNF "Molecular Basis Of Histone H3k4me3 Recognition By Ing4" 81.69 60 100.00 100.00 8.04e-36 DBJ BAB26183 "unnamed protein product [Mus musculus]" 81.69 248 100.00 100.00 1.20e-39 DBJ BAC27489 "unnamed protein product [Mus musculus]" 81.69 249 100.00 100.00 1.41e-39 DBJ BAC34304 "unnamed protein product [Mus musculus]" 81.69 248 100.00 100.00 1.20e-39 DBJ BAF30477 "ING4 exon 4-5 boundary 3 bp skip variant [Homo sapiens]" 81.69 248 100.00 100.00 1.38e-39 DBJ BAF30478 "ING4 exon 4-5 boundary 9 bp skip variant [Homo sapiens]" 81.69 246 100.00 100.00 1.32e-39 EMBL CAF97848 "unnamed protein product, partial [Tetraodon nigroviridis]" 70.42 224 98.00 98.00 1.68e-31 EMBL CAG31609 "hypothetical protein RCJMB04_8l5 [Gallus gallus]" 81.69 249 100.00 100.00 5.34e-40 GB AAD48585 "candidate tumor suppressor p33 ING1 homolog [Homo sapiens]" 81.69 249 100.00 100.00 1.28e-39 GB AAH07781 "Inhibitor of growth family, member 4 [Homo sapiens]" 81.69 249 100.00 100.00 1.28e-39 GB AAH09127 "Inhibitor of growth family, member 4 [Mus musculus]" 81.69 248 100.00 100.00 1.20e-39 GB AAH13038 "ING4 protein, partial [Homo sapiens]" 81.69 243 100.00 100.00 1.38e-39 GB AAH95434 "Inhibitor of growth family, member 4 [Homo sapiens]" 81.69 248 100.00 100.00 1.38e-39 REF NP_001006251 "inhibitor of growth protein 4 [Gallus gallus]" 81.69 249 100.00 100.00 5.34e-40 REF NP_001030466 "inhibitor of growth protein 4 [Bos taurus]" 81.69 248 98.28 98.28 8.96e-38 REF NP_001073356 "inhibitor of growth protein 4 [Rattus norvegicus]" 81.69 245 100.00 100.00 1.17e-39 REF NP_001121054 "inhibitor of growth protein 4 isoform 9 [Homo sapiens]" 81.69 249 100.00 100.00 1.28e-39 REF NP_001121055 "inhibitor of growth protein 4 isoform 3 [Homo sapiens]" 81.69 246 100.00 100.00 1.32e-39 SP Q3T095 "RecName: Full=Inhibitor of growth protein 4; AltName: Full=p29ING4" 81.69 248 98.28 98.28 8.96e-38 SP Q5ZKY4 "RecName: Full=Inhibitor of growth protein 4; AltName: Full=p29ING4" 81.69 249 100.00 100.00 5.34e-40 SP Q8C0D7 "RecName: Full=Inhibitor of growth protein 4; AltName: Full=p29ING4" 81.69 249 100.00 100.00 1.19e-39 SP Q9UNL4 "RecName: Full=Inhibitor of growth protein 4; AltName: Full=p29ING4" 81.69 249 100.00 100.00 1.28e-39 TPG DAA29237 "TPA: inhibitor of growth protein 4 [Bos taurus]" 81.69 248 100.00 100.00 1.43e-39 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 'house mouse' 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P030408-71 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.8mM U-15, {13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 0.1mM {ZnCl2;} 1mM {d-TDD;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' ZnCl2 0.1 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.863 loop_ _Vendor _Address _Electronic_address 'Cobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 293 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'PHD domain' _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 SER HA H 4.523 0.030 1 2 3 3 SER HB2 H 3.924 0.030 1 3 3 3 SER HB3 H 3.924 0.030 1 4 3 3 SER C C 173.975 0.300 1 5 3 3 SER CA C 58.417 0.300 1 6 3 3 SER CB C 64.288 0.300 1 7 4 4 GLY H H 8.074 0.030 1 8 4 4 GLY HA2 H 3.823 0.030 1 9 4 4 GLY HA3 H 3.823 0.030 1 10 4 4 GLY C C 179.021 0.300 1 11 4 4 GLY CA C 46.297 0.300 1 12 4 4 GLY N N 116.889 0.300 1 13 6 6 SER HA H 4.495 0.030 1 14 6 6 SER HB2 H 3.933 0.030 1 15 6 6 SER HB3 H 3.933 0.030 1 16 6 6 SER C C 175.037 0.300 1 17 6 6 SER CA C 58.745 0.300 1 18 6 6 SER CB C 63.795 0.300 1 19 7 7 GLY H H 8.401 0.030 1 20 7 7 GLY HA2 H 3.998 0.030 1 21 7 7 GLY HA3 H 3.998 0.030 1 22 7 7 GLY C C 173.826 0.300 1 23 7 7 GLY CA C 45.389 0.300 1 24 7 7 GLY N N 110.743 0.300 1 25 8 8 ASP H H 8.225 0.030 1 26 8 8 ASP HA H 4.640 0.030 1 27 8 8 ASP HB2 H 2.720 0.030 2 28 8 8 ASP HB3 H 2.617 0.030 2 29 8 8 ASP C C 175.966 0.300 1 30 8 8 ASP CA C 54.427 0.300 1 31 8 8 ASP CB C 41.236 0.300 1 32 8 8 ASP N N 120.228 0.300 1 33 9 9 MET H H 8.223 0.030 1 34 9 9 MET HA H 4.850 0.030 1 35 9 9 MET HB2 H 2.084 0.030 2 36 9 9 MET HB3 H 1.982 0.030 2 37 9 9 MET HE H 2.130 0.030 1 38 9 9 MET HG2 H 2.563 0.030 2 39 9 9 MET HG3 H 2.643 0.030 2 40 9 9 MET C C 174.055 0.300 1 41 9 9 MET CA C 53.381 0.300 1 42 9 9 MET CB C 32.643 0.300 1 43 9 9 MET CE C 17.150 0.300 1 44 9 9 MET CG C 32.066 0.300 1 45 9 9 MET N N 121.601 0.300 1 46 10 10 PRO HA H 4.495 0.030 1 47 10 10 PRO HB2 H 2.296 0.030 2 48 10 10 PRO HB3 H 1.908 0.030 2 49 10 10 PRO HD2 H 3.712 0.030 2 50 10 10 PRO HD3 H 3.852 0.030 2 51 10 10 PRO HG2 H 2.054 0.030 1 52 10 10 PRO HG3 H 2.054 0.030 1 53 10 10 PRO C C 176.690 0.300 1 54 10 10 PRO CA C 62.924 0.300 1 55 10 10 PRO CB C 32.079 0.300 1 56 10 10 PRO CD C 50.729 0.300 1 57 10 10 PRO CG C 27.528 0.300 1 58 11 11 VAL H H 8.261 0.030 1 59 11 11 VAL HA H 4.092 0.030 1 60 11 11 VAL HB H 2.048 0.030 1 61 11 11 VAL HG1 H 0.942 0.030 1 62 11 11 VAL HG2 H 0.988 0.030 1 63 11 11 VAL C C 175.731 0.300 1 64 11 11 VAL CA C 62.067 0.300 1 65 11 11 VAL CB C 33.159 0.300 1 66 11 11 VAL CG1 C 21.225 0.300 2 67 11 11 VAL CG2 C 20.749 0.300 2 68 11 11 VAL N N 120.811 0.300 1 69 12 12 ASP H H 8.585 0.030 1 70 12 12 ASP HA H 4.931 0.030 1 71 12 12 ASP HB2 H 2.886 0.030 2 72 12 12 ASP HB3 H 2.623 0.030 2 73 12 12 ASP C C 175.270 0.300 1 74 12 12 ASP CA C 51.816 0.300 1 75 12 12 ASP CB C 41.684 0.300 1 76 12 12 ASP N N 126.428 0.300 1 77 13 13 PRO HA H 4.450 0.030 1 78 13 13 PRO HB2 H 2.315 0.030 2 79 13 13 PRO HB3 H 2.001 0.030 2 80 13 13 PRO HD2 H 3.928 0.030 1 81 13 13 PRO HD3 H 3.928 0.030 1 82 13 13 PRO HG2 H 2.017 0.030 1 83 13 13 PRO HG3 H 2.017 0.030 1 84 13 13 PRO C C 176.842 0.300 1 85 13 13 PRO CA C 63.683 0.300 1 86 13 13 PRO CB C 32.244 0.300 1 87 13 13 PRO CD C 51.018 0.300 1 88 13 13 PRO CG C 26.948 0.300 1 89 14 14 ASN H H 8.571 0.030 1 90 14 14 ASN HA H 4.730 0.030 1 91 14 14 ASN HB2 H 2.861 0.030 2 92 14 14 ASN HB3 H 2.766 0.030 2 93 14 14 ASN HD21 H 7.832 0.030 2 94 14 14 ASN HD22 H 6.955 0.030 2 95 14 14 ASN C C 174.911 0.300 1 96 14 14 ASN CA C 53.317 0.300 1 97 14 14 ASN CB C 39.138 0.300 1 98 14 14 ASN N N 117.453 0.300 1 99 14 14 ASN ND2 N 114.389 0.300 1 100 15 15 GLU H H 7.861 0.030 1 101 15 15 GLU HA H 4.579 0.030 1 102 15 15 GLU HB2 H 2.062 0.030 2 103 15 15 GLU HB3 H 2.013 0.030 2 104 15 15 GLU HG2 H 2.377 0.030 1 105 15 15 GLU HG3 H 2.377 0.030 1 106 15 15 GLU C C 174.010 0.300 1 107 15 15 GLU CA C 54.535 0.300 1 108 15 15 GLU CB C 30.179 0.300 1 109 15 15 GLU CG C 35.965 0.300 1 110 15 15 GLU N N 122.756 0.300 1 111 16 16 PRO HA H 4.334 0.030 1 112 16 16 PRO HB2 H 2.136 0.030 2 113 16 16 PRO HB3 H 1.611 0.030 2 114 16 16 PRO HD2 H 3.731 0.030 2 115 16 16 PRO HD3 H 3.857 0.030 2 116 16 16 PRO HG2 H 2.109 0.030 2 117 16 16 PRO HG3 H 2.035 0.030 2 118 16 16 PRO C C 175.310 0.300 1 119 16 16 PRO CA C 63.088 0.300 1 120 16 16 PRO CB C 32.226 0.300 1 121 16 16 PRO CD C 50.922 0.300 1 122 16 16 PRO CG C 27.625 0.300 1 123 17 17 THR H H 7.558 0.030 1 124 17 17 THR HA H 4.169 0.030 1 125 17 17 THR HB H 3.718 0.030 1 126 17 17 THR HG2 H 1.053 0.030 1 127 17 17 THR C C 172.968 0.300 1 128 17 17 THR CA C 59.628 0.300 1 129 17 17 THR CB C 71.534 0.300 1 130 17 17 THR CG2 C 21.859 0.300 1 131 17 17 THR N N 108.961 0.300 1 132 18 18 TYR H H 8.305 0.030 1 133 18 18 TYR HA H 5.160 0.030 1 134 18 18 TYR HB2 H 3.167 0.030 2 135 18 18 TYR HB3 H 2.051 0.030 2 136 18 18 TYR HD1 H 7.141 0.030 1 137 18 18 TYR HD2 H 7.141 0.030 1 138 18 18 TYR HE1 H 6.839 0.030 1 139 18 18 TYR HE2 H 6.839 0.030 1 140 18 18 TYR C C 174.266 0.300 1 141 18 18 TYR CA C 57.225 0.300 1 142 18 18 TYR CB C 43.663 0.300 1 143 18 18 TYR CD1 C 133.352 0.300 1 144 18 18 TYR CD2 C 133.352 0.300 1 145 18 18 TYR CE1 C 118.098 0.300 1 146 18 18 TYR CE2 C 118.098 0.300 1 147 18 18 TYR N N 118.136 0.300 1 148 19 19 CYS H H 7.155 0.030 1 149 19 19 CYS HA H 3.726 0.030 1 150 19 19 CYS HB2 H 4.715 0.030 2 151 19 19 CYS HB3 H 2.419 0.030 2 152 19 19 CYS C C 175.169 0.300 1 153 19 19 CYS CA C 59.532 0.300 1 154 19 19 CYS CB C 30.378 0.300 1 155 19 19 CYS N N 115.458 0.300 1 156 20 20 LEU H H 9.911 0.030 1 157 20 20 LEU HA H 4.331 0.030 1 158 20 20 LEU HB2 H 2.040 0.030 2 159 20 20 LEU HB3 H 1.898 0.030 2 160 20 20 LEU HD1 H 1.188 0.030 1 161 20 20 LEU HD2 H 1.200 0.030 1 162 20 20 LEU HG H 2.229 0.030 1 163 20 20 LEU C C 178.044 0.300 1 164 20 20 LEU CA C 57.076 0.300 1 165 20 20 LEU CB C 42.688 0.300 1 166 20 20 LEU CD1 C 25.594 0.300 2 167 20 20 LEU CD2 C 24.085 0.300 2 168 20 20 LEU CG C 27.679 0.300 1 169 20 20 LEU N N 126.626 0.300 1 170 21 21 CYS H H 7.591 0.030 1 171 21 21 CYS HA H 4.641 0.030 1 172 21 21 CYS HB2 H 3.347 0.030 2 173 21 21 CYS HB3 H 3.199 0.030 2 174 21 21 CYS C C 175.996 0.300 1 175 21 21 CYS CA C 58.042 0.300 1 176 21 21 CYS CB C 31.091 0.300 1 177 21 21 CYS N N 114.143 0.300 1 178 22 22 HIS H H 7.661 0.030 1 179 22 22 HIS HA H 4.433 0.030 1 180 22 22 HIS HB2 H 3.599 0.030 2 181 22 22 HIS HB3 H 3.318 0.030 2 182 22 22 HIS HD2 H 7.242 0.030 1 183 22 22 HIS HE1 H 8.445 0.030 1 184 22 22 HIS C C 173.582 0.300 1 185 22 22 HIS CA C 56.671 0.300 1 186 22 22 HIS CB C 26.279 0.300 1 187 22 22 HIS CD2 C 120.212 0.300 1 188 22 22 HIS CE1 C 136.160 0.300 1 189 22 22 HIS N N 119.573 0.300 1 190 23 23 GLN H H 8.090 0.030 1 191 23 23 GLN HA H 5.110 0.030 1 192 23 23 GLN HB2 H 2.549 0.030 2 193 23 23 GLN HB3 H 2.380 0.030 2 194 23 23 GLN HE21 H 7.539 0.030 2 195 23 23 GLN HE22 H 6.912 0.030 2 196 23 23 GLN HG2 H 2.660 0.030 2 197 23 23 GLN HG3 H 2.570 0.030 2 198 23 23 GLN C C 176.178 0.300 1 199 23 23 GLN CA C 54.303 0.300 1 200 23 23 GLN CB C 33.115 0.300 1 201 23 23 GLN CG C 34.376 0.300 1 202 23 23 GLN N N 117.042 0.300 1 203 23 23 GLN NE2 N 113.369 0.300 1 204 24 24 VAL H H 8.222 0.030 1 205 24 24 VAL HA H 4.596 0.030 1 206 24 24 VAL HB H 2.630 0.030 1 207 24 24 VAL HG1 H 1.105 0.030 1 208 24 24 VAL HG2 H 1.064 0.030 1 209 24 24 VAL C C 176.072 0.300 1 210 24 24 VAL CA C 61.674 0.300 1 211 24 24 VAL CB C 33.173 0.300 1 212 24 24 VAL CG1 C 21.656 0.300 2 213 24 24 VAL CG2 C 17.936 0.300 2 214 24 24 VAL N N 113.385 0.300 1 215 25 25 SER H H 8.922 0.030 1 216 25 25 SER HA H 4.089 0.030 1 217 25 25 SER HB2 H 3.693 0.030 1 218 25 25 SER HB3 H 3.693 0.030 1 219 25 25 SER C C 174.106 0.300 1 220 25 25 SER CA C 59.559 0.300 1 221 25 25 SER CB C 63.408 0.300 1 222 25 25 SER N N 115.247 0.300 1 223 26 26 TYR H H 7.367 0.030 1 224 26 26 TYR HA H 4.662 0.030 1 225 26 26 TYR HB2 H 3.231 0.030 2 226 26 26 TYR HB3 H 2.982 0.030 2 227 26 26 TYR HD1 H 6.952 0.030 1 228 26 26 TYR HD2 H 6.952 0.030 1 229 26 26 TYR HE1 H 6.489 0.030 1 230 26 26 TYR HE2 H 6.489 0.030 1 231 26 26 TYR C C 174.645 0.300 1 232 26 26 TYR CA C 58.001 0.300 1 233 26 26 TYR CB C 39.261 0.300 1 234 26 26 TYR CD1 C 133.925 0.300 1 235 26 26 TYR CD2 C 133.925 0.300 1 236 26 26 TYR CE1 C 117.198 0.300 1 237 26 26 TYR CE2 C 117.198 0.300 1 238 26 26 TYR N N 120.006 0.300 1 239 27 27 GLY H H 8.721 0.030 1 240 27 27 GLY HA2 H 3.911 0.030 2 241 27 27 GLY HA3 H 3.811 0.030 2 242 27 27 GLY C C 173.204 0.300 1 243 27 27 GLY CA C 45.717 0.300 1 244 27 27 GLY N N 108.984 0.300 1 245 28 28 GLU H H 8.280 0.030 1 246 28 28 GLU HA H 4.025 0.030 1 247 28 28 GLU HB2 H 0.944 0.030 2 248 28 28 GLU HB3 H 0.479 0.030 2 249 28 28 GLU HG2 H 1.921 0.030 2 250 28 28 GLU HG3 H 1.790 0.030 2 251 28 28 GLU C C 176.019 0.300 1 252 28 28 GLU CA C 56.665 0.300 1 253 28 28 GLU CB C 28.352 0.300 1 254 28 28 GLU CG C 36.298 0.300 1 255 28 28 GLU N N 122.255 0.300 1 256 29 29 MET H H 8.335 0.030 1 257 29 29 MET HA H 5.538 0.030 1 258 29 29 MET HB2 H 1.769 0.030 2 259 29 29 MET HB3 H 1.649 0.030 2 260 29 29 MET HE H 1.074 0.030 1 261 29 29 MET HG2 H 2.240 0.030 2 262 29 29 MET HG3 H 2.129 0.030 2 263 29 29 MET C C 175.130 0.300 1 264 29 29 MET CA C 53.067 0.300 1 265 29 29 MET CB C 34.629 0.300 1 266 29 29 MET CE C 14.621 0.300 1 267 29 29 MET CG C 31.685 0.300 1 268 29 29 MET N N 124.086 0.300 1 269 30 30 ILE H H 9.691 0.030 1 270 30 30 ILE HA H 4.802 0.030 1 271 30 30 ILE HB H 1.390 0.030 1 272 30 30 ILE HD1 H 0.009 0.030 1 273 30 30 ILE HG12 H 0.605 0.030 2 274 30 30 ILE HG13 H 1.278 0.030 2 275 30 30 ILE HG2 H 0.248 0.030 1 276 30 30 ILE C C 171.936 0.300 1 277 30 30 ILE CA C 58.370 0.300 1 278 30 30 ILE CB C 42.765 0.300 1 279 30 30 ILE CD1 C 14.961 0.300 1 280 30 30 ILE CG1 C 28.881 0.300 1 281 30 30 ILE CG2 C 15.177 0.300 1 282 30 30 ILE N N 121.886 0.300 1 283 31 31 GLY H H 8.347 0.030 1 284 31 31 GLY HA2 H 4.813 0.030 2 285 31 31 GLY HA3 H 2.661 0.030 2 286 31 31 GLY C C 172.793 0.300 1 287 31 31 GLY CA C 43.293 0.300 1 288 31 31 GLY N N 116.282 0.300 1 289 32 32 CYS H H 8.612 0.030 1 290 32 32 CYS HA H 4.591 0.030 1 291 32 32 CYS HB2 H 3.190 0.030 2 292 32 32 CYS HB3 H 3.142 0.030 2 293 32 32 CYS C C 176.997 0.300 1 294 32 32 CYS CA C 60.384 0.300 1 295 32 32 CYS CB C 32.223 0.300 1 296 32 32 CYS N N 126.139 0.300 1 297 33 33 ASP H H 8.978 0.030 1 298 33 33 ASP HA H 4.716 0.030 1 299 33 33 ASP HB2 H 2.510 0.030 2 300 33 33 ASP HB3 H 1.779 0.030 2 301 33 33 ASP C C 176.481 0.300 1 302 33 33 ASP CA C 56.769 0.300 1 303 33 33 ASP CB C 40.983 0.300 1 304 33 33 ASP N N 127.167 0.300 1 305 34 34 ASN H H 8.872 0.030 1 306 34 34 ASN HA H 5.221 0.030 1 307 34 34 ASN HB2 H 4.099 0.030 2 308 34 34 ASN HB3 H 2.772 0.030 2 309 34 34 ASN HD21 H 7.203 0.030 2 310 34 34 ASN HD22 H 9.243 0.030 2 311 34 34 ASN C C 175.088 0.300 1 312 34 34 ASN CA C 51.075 0.300 1 313 34 34 ASN CB C 38.636 0.300 1 314 34 34 ASN N N 123.470 0.300 1 315 34 34 ASN ND2 N 117.193 0.300 1 316 35 35 PRO HA H 4.448 0.030 1 317 35 35 PRO HB2 H 2.380 0.030 2 318 35 35 PRO HB3 H 1.982 0.030 2 319 35 35 PRO HD2 H 4.270 0.030 2 320 35 35 PRO HD3 H 4.218 0.030 2 321 35 35 PRO HG2 H 2.063 0.030 1 322 35 35 PRO HG3 H 2.063 0.030 1 323 35 35 PRO C C 176.827 0.300 1 324 35 35 PRO CA C 64.416 0.300 1 325 35 35 PRO CB C 32.162 0.300 1 326 35 35 PRO CD C 51.547 0.300 1 327 35 35 PRO CG C 27.238 0.300 1 328 36 36 ASP H H 7.340 0.030 1 329 36 36 ASP HA H 4.802 0.030 1 330 36 36 ASP HB2 H 2.943 0.030 2 331 36 36 ASP HB3 H 2.451 0.030 2 332 36 36 ASP C C 175.115 0.300 1 333 36 36 ASP CA C 53.605 0.300 1 334 36 36 ASP CB C 41.250 0.300 1 335 36 36 ASP N N 115.341 0.300 1 336 37 37 CYS H H 7.680 0.030 1 337 37 37 CYS HA H 3.702 0.030 1 338 37 37 CYS HB2 H 3.480 0.030 2 339 37 37 CYS HB3 H 2.883 0.030 2 340 37 37 CYS C C 176.792 0.300 1 341 37 37 CYS CA C 63.054 0.300 1 342 37 37 CYS CB C 30.753 0.300 1 343 37 37 CYS N N 125.201 0.300 1 344 38 38 SER H H 8.580 0.030 1 345 38 38 SER HA H 4.439 0.030 1 346 38 38 SER HB2 H 4.035 0.030 1 347 38 38 SER HB3 H 4.035 0.030 1 348 38 38 SER C C 174.599 0.300 1 349 38 38 SER CA C 60.425 0.300 1 350 38 38 SER CB C 63.901 0.300 1 351 38 38 SER N N 122.923 0.300 1 352 39 39 ILE H H 8.478 0.030 1 353 39 39 ILE HA H 4.183 0.030 1 354 39 39 ILE HB H 1.811 0.030 1 355 39 39 ILE HD1 H 0.961 0.030 1 356 39 39 ILE HG12 H 1.689 0.030 2 357 39 39 ILE HG13 H 1.096 0.030 2 358 39 39 ILE HG2 H 0.306 0.030 1 359 39 39 ILE C C 177.680 0.300 1 360 39 39 ILE CA C 63.343 0.300 1 361 39 39 ILE CB C 39.978 0.300 1 362 39 39 ILE CD1 C 13.124 0.300 1 363 39 39 ILE CG1 C 28.398 0.300 1 364 39 39 ILE CG2 C 18.247 0.300 1 365 39 39 ILE N N 126.077 0.300 1 366 40 40 GLU H H 9.287 0.030 1 367 40 40 GLU HA H 3.822 0.030 1 368 40 40 GLU HB2 H 2.388 0.030 2 369 40 40 GLU HB3 H 2.082 0.030 2 370 40 40 GLU HG2 H 1.950 0.030 2 371 40 40 GLU HG3 H 1.713 0.030 2 372 40 40 GLU C C 175.814 0.300 1 373 40 40 GLU CA C 62.890 0.300 1 374 40 40 GLU CB C 30.005 0.300 1 375 40 40 GLU CG C 36.615 0.300 1 376 40 40 GLU N N 119.779 0.300 1 377 41 41 TRP H H 8.005 0.030 1 378 41 41 TRP HA H 5.383 0.030 1 379 41 41 TRP HB2 H 2.680 0.030 2 380 41 41 TRP HB3 H 2.516 0.030 2 381 41 41 TRP HD1 H 6.971 0.030 1 382 41 41 TRP HE1 H 9.938 0.030 1 383 41 41 TRP HE3 H 7.068 0.030 1 384 41 41 TRP HH2 H 7.186 0.030 1 385 41 41 TRP HZ2 H 7.455 0.030 1 386 41 41 TRP HZ3 H 6.913 0.030 1 387 41 41 TRP C C 174.820 0.300 1 388 41 41 TRP CA C 56.070 0.300 1 389 41 41 TRP CB C 33.421 0.300 1 390 41 41 TRP CD1 C 127.163 0.300 1 391 41 41 TRP CE3 C 119.551 0.300 1 392 41 41 TRP CH2 C 124.537 0.300 1 393 41 41 TRP CZ2 C 114.693 0.300 1 394 41 41 TRP CZ3 C 121.696 0.300 1 395 41 41 TRP N N 120.554 0.300 1 396 41 41 TRP NE1 N 128.626 0.300 1 397 42 42 PHE H H 9.242 0.030 1 398 42 42 PHE HA H 4.927 0.030 1 399 42 42 PHE HB2 H 3.266 0.030 2 400 42 42 PHE HB3 H 2.853 0.030 2 401 42 42 PHE HD1 H 7.708 0.030 1 402 42 42 PHE HD2 H 7.708 0.030 1 403 42 42 PHE HE1 H 7.318 0.030 1 404 42 42 PHE HE2 H 7.318 0.030 1 405 42 42 PHE HZ H 7.999 0.030 1 406 42 42 PHE C C 176.125 0.300 1 407 42 42 PHE CA C 56.152 0.300 1 408 42 42 PHE CB C 42.791 0.300 1 409 42 42 PHE CD1 C 132.960 0.300 1 410 42 42 PHE CD2 C 132.960 0.300 1 411 42 42 PHE CE1 C 130.284 0.300 1 412 42 42 PHE CE2 C 130.284 0.300 1 413 42 42 PHE CZ C 131.834 0.300 1 414 42 42 PHE N N 117.259 0.300 1 415 43 43 HIS H H 9.430 0.030 1 416 43 43 HIS HA H 5.027 0.030 1 417 43 43 HIS HB2 H 4.062 0.030 2 418 43 43 HIS HB3 H 3.687 0.030 2 419 43 43 HIS HD2 H 6.890 0.030 1 420 43 43 HIS HE1 H 7.455 0.030 1 421 43 43 HIS C C 178.166 0.300 1 422 43 43 HIS CA C 57.959 0.300 1 423 43 43 HIS CB C 30.911 0.300 1 424 43 43 HIS CD2 C 118.904 0.300 1 425 43 43 HIS CE1 C 137.612 0.300 1 426 43 43 HIS N N 122.659 0.300 1 427 44 44 PHE H H 8.454 0.030 1 428 44 44 PHE HA H 3.989 0.030 1 429 44 44 PHE HB2 H 3.380 0.030 2 430 44 44 PHE HB3 H 3.145 0.030 2 431 44 44 PHE HD1 H 6.689 0.030 1 432 44 44 PHE HD2 H 6.689 0.030 1 433 44 44 PHE HE1 H 6.923 0.030 1 434 44 44 PHE HE2 H 6.923 0.030 1 435 44 44 PHE HZ H 6.953 0.030 1 436 44 44 PHE C C 178.629 0.300 1 437 44 44 PHE CA C 60.789 0.300 1 438 44 44 PHE CB C 37.804 0.300 1 439 44 44 PHE CD1 C 129.189 0.300 1 440 44 44 PHE CD2 C 129.189 0.300 1 441 44 44 PHE CE1 C 130.952 0.300 1 442 44 44 PHE CE2 C 130.952 0.300 1 443 44 44 PHE CZ C 128.317 0.300 1 444 44 44 PHE N N 124.208 0.300 1 445 45 45 ALA H H 9.125 0.030 1 446 45 45 ALA HA H 4.360 0.030 1 447 45 45 ALA HB H 1.652 0.030 1 448 45 45 ALA C C 181.216 0.300 1 449 45 45 ALA CA C 55.347 0.300 1 450 45 45 ALA CB C 18.365 0.300 1 451 45 45 ALA N N 116.397 0.300 1 452 46 46 CYS H H 7.392 0.030 1 453 46 46 CYS HA H 4.301 0.030 1 454 46 46 CYS HB2 H 3.434 0.030 2 455 46 46 CYS HB3 H 3.309 0.030 2 456 46 46 CYS C C 176.876 0.300 1 457 46 46 CYS CA C 62.562 0.300 1 458 46 46 CYS CB C 30.591 0.300 1 459 46 46 CYS N N 117.074 0.300 1 460 47 47 VAL H H 7.380 0.030 1 461 47 47 VAL HA H 4.756 0.030 1 462 47 47 VAL HB H 2.822 0.030 1 463 47 47 VAL HG1 H 1.041 0.030 1 464 47 47 VAL HG2 H 0.866 0.030 1 465 47 47 VAL C C 175.714 0.300 1 466 47 47 VAL CA C 60.057 0.300 1 467 47 47 VAL CB C 31.806 0.300 1 468 47 47 VAL CG1 C 22.888 0.300 2 469 47 47 VAL CG2 C 17.957 0.300 2 470 47 47 VAL N N 106.676 0.300 1 471 48 48 GLY H H 7.576 0.030 1 472 48 48 GLY HA2 H 4.060 0.030 2 473 48 48 GLY HA3 H 3.920 0.030 2 474 48 48 GLY C C 174.531 0.300 1 475 48 48 GLY CA C 46.909 0.300 1 476 48 48 GLY N N 108.789 0.300 1 477 49 49 LEU H H 7.863 0.030 1 478 49 49 LEU HA H 4.584 0.030 1 479 49 49 LEU HB2 H 0.913 0.030 2 480 49 49 LEU HB3 H 0.567 0.030 2 481 49 49 LEU HD1 H 0.668 0.030 1 482 49 49 LEU HD2 H -0.277 0.030 1 483 49 49 LEU HG H 1.271 0.030 1 484 49 49 LEU C C 177.096 0.300 1 485 49 49 LEU CA C 53.855 0.300 1 486 49 49 LEU CB C 44.056 0.300 1 487 49 49 LEU CD1 C 22.670 0.300 2 488 49 49 LEU CD2 C 25.723 0.300 2 489 49 49 LEU CG C 26.185 0.300 1 490 49 49 LEU N N 119.544 0.300 1 491 50 50 THR H H 8.843 0.030 1 492 50 50 THR HA H 4.487 0.030 1 493 50 50 THR HB H 4.325 0.030 1 494 50 50 THR HG2 H 1.238 0.030 1 495 50 50 THR C C 174.311 0.300 1 496 50 50 THR CA C 62.273 0.300 1 497 50 50 THR CB C 70.069 0.300 1 498 50 50 THR CG2 C 21.921 0.300 1 499 50 50 THR N N 110.902 0.300 1 500 51 51 THR H H 7.468 0.030 1 501 51 51 THR HA H 4.589 0.030 1 502 51 51 THR HB H 4.090 0.030 1 503 51 51 THR HG2 H 1.145 0.030 1 504 51 51 THR C C 172.551 0.300 1 505 51 51 THR CA C 60.253 0.300 1 506 51 51 THR CB C 71.058 0.300 1 507 51 51 THR CG2 C 20.858 0.300 1 508 51 51 THR N N 115.003 0.300 1 509 52 52 LYS H H 8.708 0.030 1 510 52 52 LYS HA H 4.049 0.030 1 511 52 52 LYS HB2 H 1.950 0.030 2 512 52 52 LYS HB3 H 1.910 0.030 2 513 52 52 LYS HD2 H 1.824 0.030 1 514 52 52 LYS HD3 H 1.824 0.030 1 515 52 52 LYS HE2 H 3.149 0.030 1 516 52 52 LYS HE3 H 3.149 0.030 1 517 52 52 LYS HG2 H 1.675 0.030 2 518 52 52 LYS HG3 H 1.500 0.030 2 519 52 52 LYS C C 174.617 0.300 1 520 52 52 LYS CA C 55.326 0.300 1 521 52 52 LYS CB C 33.176 0.300 1 522 52 52 LYS CD C 29.686 0.300 1 523 52 52 LYS CE C 42.345 0.300 1 524 52 52 LYS CG C 24.892 0.300 1 525 52 52 LYS N N 126.175 0.300 1 526 53 53 PRO HA H 4.423 0.030 1 527 53 53 PRO HB2 H 2.352 0.030 2 528 53 53 PRO HB3 H 1.964 0.030 2 529 53 53 PRO HD2 H 3.583 0.030 2 530 53 53 PRO HD3 H 3.381 0.030 2 531 53 53 PRO HG2 H 1.851 0.030 2 532 53 53 PRO HG3 H 1.780 0.030 2 533 53 53 PRO C C 176.220 0.300 1 534 53 53 PRO CA C 63.006 0.300 1 535 53 53 PRO CB C 32.244 0.300 1 536 53 53 PRO CD C 51.054 0.300 1 537 53 53 PRO CG C 27.528 0.300 1 538 54 54 ARG H H 8.619 0.030 1 539 54 54 ARG HA H 4.360 0.030 1 540 54 54 ARG HB2 H 1.911 0.030 2 541 54 54 ARG HB3 H 1.802 0.030 2 542 54 54 ARG HD2 H 3.270 0.030 1 543 54 54 ARG HD3 H 3.270 0.030 1 544 54 54 ARG HG2 H 1.767 0.030 2 545 54 54 ARG HG3 H 1.703 0.030 2 546 54 54 ARG C C 176.990 0.300 1 547 54 54 ARG CA C 56.427 0.300 1 548 54 54 ARG CB C 30.454 0.300 1 549 54 54 ARG CD C 43.285 0.300 1 550 54 54 ARG CG C 27.431 0.300 1 551 54 54 ARG N N 121.341 0.300 1 552 55 55 GLY H H 8.087 0.030 1 553 55 55 GLY HA2 H 4.102 0.030 2 554 55 55 GLY HA3 H 3.968 0.030 2 555 55 55 GLY C C 173.098 0.300 1 556 55 55 GLY CA C 44.391 0.300 1 557 55 55 GLY N N 110.463 0.300 1 558 56 56 LYS H H 8.234 0.030 1 559 56 56 LYS HA H 4.328 0.030 1 560 56 56 LYS HB2 H 1.750 0.030 2 561 56 56 LYS HB3 H 1.417 0.030 2 562 56 56 LYS HD2 H 1.704 0.030 1 563 56 56 LYS HD3 H 1.704 0.030 1 564 56 56 LYS HE2 H 3.031 0.030 1 565 56 56 LYS HE3 H 3.031 0.030 1 566 56 56 LYS HG2 H 1.573 0.030 2 567 56 56 LYS HG3 H 1.346 0.030 2 568 56 56 LYS C C 176.387 0.300 1 569 56 56 LYS CA C 56.440 0.300 1 570 56 56 LYS CB C 33.947 0.300 1 571 56 56 LYS CD C 29.414 0.300 1 572 56 56 LYS CE C 42.354 0.300 1 573 56 56 LYS CG C 25.444 0.300 1 574 56 56 LYS N N 120.550 0.300 1 575 57 57 TRP H H 9.628 0.030 1 576 57 57 TRP HA H 4.418 0.030 1 577 57 57 TRP HB2 H 3.239 0.030 2 578 57 57 TRP HB3 H 2.740 0.030 2 579 57 57 TRP HD1 H 7.240 0.030 1 580 57 57 TRP HE1 H 9.946 0.030 1 581 57 57 TRP HE3 H 7.479 0.030 1 582 57 57 TRP HH2 H 5.872 0.030 1 583 57 57 TRP HZ2 H 6.958 0.030 1 584 57 57 TRP HZ3 H 6.400 0.030 1 585 57 57 TRP C C 172.103 0.300 1 586 57 57 TRP CA C 58.946 0.300 1 587 57 57 TRP CB C 31.404 0.300 1 588 57 57 TRP CD1 C 126.114 0.300 1 589 57 57 TRP CE3 C 122.970 0.300 1 590 57 57 TRP CH2 C 122.480 0.300 1 591 57 57 TRP CZ2 C 112.815 0.300 1 592 57 57 TRP CZ3 C 120.080 0.300 1 593 57 57 TRP N N 126.239 0.300 1 594 57 57 TRP NE1 N 128.646 0.300 1 595 58 58 PHE H H 7.041 0.030 1 596 58 58 PHE HA H 5.069 0.030 1 597 58 58 PHE HB2 H 2.476 0.030 2 598 58 58 PHE HB3 H 2.340 0.030 2 599 58 58 PHE HD1 H 7.030 0.030 1 600 58 58 PHE HD2 H 7.030 0.030 1 601 58 58 PHE HE1 H 7.053 0.030 1 602 58 58 PHE HE2 H 7.053 0.030 1 603 58 58 PHE HZ H 7.199 0.030 1 604 58 58 PHE C C 173.734 0.300 1 605 58 58 PHE CA C 54.139 0.300 1 606 58 58 PHE CB C 41.770 0.300 1 607 58 58 PHE CD1 C 131.932 0.300 1 608 58 58 PHE CD2 C 131.932 0.300 1 609 58 58 PHE CE1 C 131.001 0.300 1 610 58 58 PHE CE2 C 131.001 0.300 1 611 58 58 PHE CZ C 129.238 0.300 1 612 58 58 PHE N N 123.893 0.300 1 613 59 59 CYS H H 8.738 0.030 1 614 59 59 CYS HA H 3.583 0.030 1 615 59 59 CYS HB2 H 2.272 0.030 2 616 59 59 CYS HB3 H 1.912 0.030 2 617 59 59 CYS C C 174.101 0.300 1 618 59 59 CYS CA C 57.616 0.300 1 619 59 59 CYS CB C 30.758 0.300 1 620 59 59 CYS N N 125.550 0.300 1 621 60 60 PRO HA H 4.200 0.030 1 622 60 60 PRO HB2 H 2.490 0.030 2 623 60 60 PRO HB3 H 1.890 0.030 2 624 60 60 PRO HD2 H 3.549 0.030 2 625 60 60 PRO HD3 H 3.325 0.030 2 626 60 60 PRO HG2 H 2.158 0.030 1 627 60 60 PRO HG3 H 2.158 0.030 1 628 60 60 PRO CA C 65.629 0.300 1 629 60 60 PRO CB C 32.244 0.300 1 630 60 60 PRO CD C 50.186 0.300 1 631 60 60 PRO CG C 28.011 0.300 1 632 61 61 ARG H H 8.313 0.030 1 633 61 61 ARG HA H 4.262 0.030 1 634 61 61 ARG HB2 H 2.116 0.030 2 635 61 61 ARG HB3 H 2.051 0.030 2 636 61 61 ARG HD2 H 3.298 0.030 1 637 61 61 ARG HD3 H 3.298 0.030 1 638 61 61 ARG HG2 H 1.787 0.030 2 639 61 61 ARG HG3 H 1.720 0.030 2 640 61 61 ARG C C 178.677 0.300 1 641 61 61 ARG CA C 58.329 0.300 1 642 61 61 ARG CB C 30.499 0.300 1 643 61 61 ARG CD C 43.189 0.300 1 644 61 61 ARG CG C 27.141 0.300 1 645 61 61 ARG N N 117.727 0.300 1 646 62 62 CYS H H 8.566 0.030 1 647 62 62 CYS HA H 4.019 0.030 1 648 62 62 CYS HB2 H 3.018 0.030 2 649 62 62 CYS HB3 H 2.741 0.030 2 650 62 62 CYS C C 177.301 0.300 1 651 62 62 CYS CA C 63.074 0.300 1 652 62 62 CYS CB C 30.178 0.300 1 653 62 62 CYS N N 124.026 0.300 1 654 63 63 SER H H 8.204 0.030 1 655 63 63 SER HA H 4.031 0.030 1 656 63 63 SER HB2 H 3.758 0.030 2 657 63 63 SER HB3 H 3.663 0.030 2 658 63 63 SER C C 174.675 0.300 1 659 63 63 SER CA C 59.931 0.300 1 660 63 63 SER CB C 63.367 0.300 1 661 63 63 SER N N 114.062 0.300 1 662 64 64 GLN H H 7.684 0.030 1 663 64 64 GLN HA H 4.218 0.030 1 664 64 64 GLN HB2 H 2.149 0.030 2 665 64 64 GLN HB3 H 2.022 0.030 2 666 64 64 GLN HE21 H 7.460 0.030 2 667 64 64 GLN HE22 H 6.782 0.030 2 668 64 64 GLN HG2 H 2.398 0.030 2 669 64 64 GLN HG3 H 2.355 0.030 2 670 64 64 GLN C C 176.337 0.300 1 671 64 64 GLN CA C 56.440 0.300 1 672 64 64 GLN CB C 29.224 0.300 1 673 64 64 GLN CG C 33.866 0.300 1 674 64 64 GLN N N 120.566 0.300 1 675 64 64 GLN NE2 N 112.381 0.300 1 676 65 65 GLU H H 8.059 0.030 1 677 65 65 GLU HA H 4.275 0.030 1 678 65 65 GLU HB2 H 2.056 0.030 2 679 65 65 GLU HB3 H 1.917 0.030 2 680 65 65 GLU HG2 H 2.298 0.030 2 681 65 65 GLU HG3 H 2.238 0.030 2 682 65 65 GLU C C 176.649 0.300 1 683 65 65 GLU CA C 56.886 0.300 1 684 65 65 GLU CB C 30.253 0.300 1 685 65 65 GLU CG C 36.297 0.300 1 686 65 65 GLU N N 120.341 0.300 1 687 66 66 SER H H 8.147 0.030 1 688 66 66 SER HA H 4.439 0.030 1 689 66 66 SER HB2 H 3.788 0.030 1 690 66 66 SER HB3 H 3.788 0.030 1 691 66 66 SER C C 174.630 0.300 1 692 66 66 SER CA C 58.535 0.300 1 693 66 66 SER CB C 63.946 0.300 1 694 66 66 SER N N 115.963 0.300 1 695 67 67 GLY H H 8.132 0.030 1 696 67 67 GLY HA2 H 4.146 0.030 2 697 67 67 GLY HA3 H 4.077 0.030 2 698 67 67 GLY C C 171.792 0.300 1 699 67 67 GLY CA C 44.800 0.300 1 700 67 67 GLY N N 110.605 0.300 1 701 68 68 PRO HA H 4.460 0.030 1 702 68 68 PRO HB2 H 2.278 0.030 2 703 68 68 PRO HB3 H 1.973 0.030 2 704 68 68 PRO HD2 H 3.633 0.030 1 705 68 68 PRO HD3 H 3.633 0.030 1 706 68 68 PRO HG2 H 2.026 0.030 1 707 68 68 PRO HG3 H 2.026 0.030 1 708 68 68 PRO C C 177.418 0.300 1 709 68 68 PRO CA C 63.170 0.300 1 710 68 68 PRO CB C 32.162 0.300 1 711 68 68 PRO CD C 49.859 0.300 1 712 68 68 PRO CG C 27.238 0.300 1 713 69 69 SER H H 8.514 0.030 1 714 69 69 SER HA H 4.571 0.030 1 715 69 69 SER HB2 H 3.905 0.030 1 716 69 69 SER HB3 H 3.905 0.030 1 717 69 69 SER C C 176.148 0.300 1 718 69 69 SER CA C 58.370 0.300 1 719 69 69 SER CB C 63.901 0.300 1 720 69 69 SER N N 116.403 0.300 1 721 70 70 SER H H 8.489 0.030 1 722 70 70 SER HA H 4.543 0.030 1 723 70 70 SER HB2 H 3.933 0.030 1 724 70 70 SER HB3 H 3.933 0.030 1 725 70 70 SER C C 175.024 0.300 1 726 70 70 SER CA C 58.618 0.300 1 727 70 70 SER CB C 63.943 0.300 1 728 70 70 SER N N 118.041 0.300 1 729 71 71 GLY H H 8.497 0.030 1 730 71 71 GLY HA2 H 4.086 0.030 1 731 71 71 GLY HA3 H 4.086 0.030 1 732 71 71 GLY C C 174.298 0.300 1 733 71 71 GLY CA C 45.391 0.300 1 734 71 71 GLY N N 110.947 0.300 1 stop_ save_