data_17673 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Not Available ; _BMRB_accession_number 17673 _BMRB_flat_file_name bmr17673.str _Entry_type original _Submission_date 2011-05-30 _Accession_date 2011-05-30 _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 Cui Gaofeng . . 2 Botuyan Maria . . 3 Mer Georges . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 443 "13C chemical shifts" 306 "15N chemical shifts" 78 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-03-26 update author 'update entry citation' 2012-05-09 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'PHF20 is an effector protein of p53 double lysine methylation that stabilizes and activates p53' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22864287 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cui Gaofeng . . 2 Park Sungman . . 3 Badeaux Aimee I. . 4 Kim Donghwa . . 5 Lee Joseph . . 6 Thompson James R. . 7 Yan Fei . . 8 Kaneko Satoshi . . 9 Yuan Zengqiang . . 10 Botuyan Maria V. . 11 Bedford Mark T. . 12 Cheng Jin Q. . 13 Mer Georges . . stop_ _Journal_abbreviation 'Nat. Struct. Mol. Biol.' _Journal_volume 19 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 916 _Page_last 924 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name TDRD7 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TDRD7 $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 8743.901 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 81 _Mol_residue_sequence ; GHMSSEFQINEQVLASWSDS RFYPAKVTAVNKDGTYTVKF YDGVVQTVKHIHVKAFSKDQ NIVGNARGSRAHSSHLXSKK G ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 81 GLY 2 82 HIS 3 83 MET 4 84 SER 5 85 SER 6 86 GLU 7 87 PHE 8 88 GLN 9 89 ILE 10 90 ASN 11 91 GLU 12 92 GLN 13 93 VAL 14 94 LEU 15 95 ALA 16 96 SER 17 97 TRP 18 98 SER 19 99 ASP 20 100 SER 21 101 ARG 22 102 PHE 23 103 TYR 24 104 PRO 25 105 ALA 26 106 LYS 27 107 VAL 28 108 THR 29 109 ALA 30 110 VAL 31 111 ASN 32 112 LYS 33 113 ASP 34 114 GLY 35 115 THR 36 116 TYR 37 117 THR 38 118 VAL 39 119 LYS 40 120 PHE 41 121 TYR 42 122 ASP 43 123 GLY 44 124 VAL 45 125 VAL 46 126 GLN 47 127 THR 48 128 VAL 49 129 LYS 50 130 HIS 51 131 ILE 52 132 HIS 53 133 VAL 54 134 LYS 55 135 ALA 56 136 PHE 57 137 SER 58 138 LYS 59 139 ASP 60 140 GLN 61 141 ASN 62 142 ILE 63 143 VAL 64 144 GLY 65 145 ASN 66 146 ALA 67 147 ARG 68 200 GLY 69 201 SER 70 363 ARG 71 364 ALA 72 365 HIS 73 366 SER 74 367 SER 75 368 HIS 76 369 LEU 77 370 M2L 78 371 SER 79 372 LYS 80 373 LYS 81 374 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-04 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 2LDM "Solution Structure Of Human Phf20 Tudor2 Domain Bound To A P53 Segment Containing A Dimethyllysine Analog P53k370me2" 100.00 81 100.00 100.00 1.46e-50 PDB 3P8D "Crystal Structure Of The Second Tudor Domain Of Human Phf20 (Homodimer Form)" 82.72 67 97.01 97.01 2.99e-40 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_M2L _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common '(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acid' _BMRB_code . _PDB_code M2L _Standard_residue_derivative . _Molecular_mass 192.279 _Mol_paramagnetic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 15:11:07 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? CB CB C . 0 . ? SG SG S . 0 . ? CD CD C . 0 . ? CE CE C . 0 . ? NZ NZ N . 0 . ? CM1 CM1 C . 0 . ? CM2 CM2 C . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? HN HN H . 0 . ? HNA HNA H . 0 . ? HA HA H . 0 . ? HB HB H . 0 . ? HBA HBA H . 0 . ? HD HD H . 0 . ? HDA HDA H . 0 . ? HE HE H . 0 . ? HEA HEA H . 0 . ? HM1 HM1 H . 0 . ? HM1A HM1A H . 0 . ? HM1B HM1B H . 0 . ? HM2 HM2 H . 0 . ? HM2A HM2A H . 0 . ? HM2B HM2B H . 0 . ? HOXT HOXT H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N HN ? ? SING N HNA ? ? SING C CA ? ? SING CA CB ? ? SING CA HA ? ? SING CB SG ? ? SING CB HB ? ? SING CB HBA ? ? SING SG CD ? ? SING CD CE ? ? SING CD HD ? ? SING CD HDA ? ? SING NZ CE ? ? SING CE HE ? ? SING CE HEA ? ? SING CM1 NZ ? ? SING NZ CM2 ? ? SING CM1 HM1 ? ? SING CM1 HM1A ? ? SING CM1 HM1B ? ? SING CM2 HM2 ? ? SING CM2 HM2A ? ? SING CM2 HM2B ? ? DOUB O C ? ? SING C OXT ? ? SING OXT HOXT ? ? 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 _Vector_name $entity 'recombinant technology' . Escherichia coli . pTEV stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM '[U-100% 15N]' 'sodium phosphate' 25 mM 'natural abundance' DSS 0.3 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 25 mM 'natural abundance' DSS 0.3 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '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' processing stop_ _Details . save_ save_SANE _Saveframe_category software _Name SANE _Version . loop_ _Vendor _Address _Electronic_address 'Duggan, Legge, Dyson & Wright' . . 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_AMBER _Saveframe_category software _Name AMBER _Version 8 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . 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_2 save_ save_2D_1H-13C_HSQC_aliphatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_CCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_2 save_ save_2D_(HB)CB(CGCD)HD_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _Sample_label $sample_2 save_ save_2D_(HB)CB(CGCDCE)HE_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCDCE)HE' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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_2 save_ save_3D_1H-13C_NOESY_aliphatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 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' 0.025 . M pH 7.5 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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 aliphatic' '2D 1H-13C HSQC aromatic' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name TDRD7 _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 85 5 SER HA H 4.436 0.03 1 2 85 5 SER HB2 H 3.828 0.03 2 3 85 5 SER HB3 H 3.949 0.03 2 4 85 5 SER C C 173.840 0.30 1 5 85 5 SER CA C 58.100 0.30 1 6 85 5 SER CB C 64.010 0.30 1 7 86 6 GLU H H 8.107 0.03 1 8 86 6 GLU HA H 4.051 0.03 1 9 86 6 GLU HB2 H 1.766 0.03 2 10 86 6 GLU HB3 H 1.766 0.03 2 11 86 6 GLU HG2 H 2.059 0.03 2 12 86 6 GLU HG3 H 1.814 0.03 2 13 86 6 GLU C C 175.710 0.30 1 14 86 6 GLU CA C 57.119 0.30 1 15 86 6 GLU CB C 30.746 0.30 1 16 86 6 GLU CG C 36.141 0.30 1 17 86 6 GLU N N 122.440 0.30 1 18 87 7 PHE H H 7.598 0.03 1 19 87 7 PHE HA H 4.873 0.03 1 20 87 7 PHE HB2 H 2.195 0.03 2 21 87 7 PHE HB3 H 2.759 0.03 2 22 87 7 PHE HD1 H 6.893 0.03 3 23 87 7 PHE HD2 H 6.893 0.03 3 24 87 7 PHE HE1 H 7.076 0.03 3 25 87 7 PHE HZ H 7.073 0.03 1 26 87 7 PHE C C 174.600 0.30 1 27 87 7 PHE CA C 57.125 0.30 1 28 87 7 PHE CB C 40.769 0.30 1 29 87 7 PHE CD1 C 132.242 0.30 3 30 87 7 PHE CD2 C 131.306 0.30 3 31 87 7 PHE CZ C 129.121 0.30 1 32 87 7 PHE N N 118.700 0.30 1 33 88 8 GLN H H 8.906 0.03 1 34 88 8 GLN HA H 4.678 0.03 1 35 88 8 GLN HB2 H 1.890 0.03 2 36 88 8 GLN HB3 H 2.240 0.03 2 37 88 8 GLN HG2 H 2.452 0.03 2 38 88 8 GLN HG3 H 2.452 0.03 2 39 88 8 GLN HE21 H 7.574 0.03 2 40 88 8 GLN HE22 H 6.862 0.03 2 41 88 8 GLN C C 175.670 0.30 1 42 88 8 GLN CA C 53.455 0.30 1 43 88 8 GLN CB C 31.900 0.30 1 44 88 8 GLN CG C 34.020 0.30 1 45 88 8 GLN N N 118.630 0.30 1 46 88 8 GLN NE2 N 113.960 0.30 1 47 89 9 ILE H H 8.384 0.03 1 48 89 9 ILE HA H 3.396 0.03 1 49 89 9 ILE HB H 1.721 0.03 1 50 89 9 ILE HG12 H 1.066 0.03 1 51 89 9 ILE HG13 H 1.608 0.03 1 52 89 9 ILE HG2 H 0.918 0.03 1 53 89 9 ILE HD1 H 0.948 0.03 1 54 89 9 ILE C C 177.130 0.30 1 55 89 9 ILE CA C 63.692 0.30 1 56 89 9 ILE CB C 37.430 0.30 1 57 89 9 ILE CG1 C 28.694 0.30 1 58 89 9 ILE CG2 C 17.442 0.30 1 59 89 9 ILE CD1 C 13.046 0.30 1 60 89 9 ILE N N 118.880 0.30 1 61 90 10 ASN H H 9.136 0.03 1 62 90 10 ASN HA H 4.244 0.03 1 63 90 10 ASN HB2 H 3.308 0.03 2 64 90 10 ASN HB3 H 3.061 0.03 2 65 90 10 ASN HD21 H 7.696 0.03 2 66 90 10 ASN HD22 H 7.021 0.03 2 67 90 10 ASN C C 173.870 0.30 1 68 90 10 ASN CA C 55.690 0.30 1 69 90 10 ASN CB C 37.400 0.30 1 70 90 10 ASN N N 119.090 0.30 1 71 90 10 ASN ND2 N 114.080 0.30 1 72 91 11 GLU H H 8.157 0.03 1 73 91 11 GLU HA H 4.204 0.03 1 74 91 11 GLU HB2 H 2.159 0.03 2 75 91 11 GLU HB3 H 2.093 0.03 2 76 91 11 GLU HG2 H 2.347 0.03 2 77 91 11 GLU HG3 H 2.425 0.03 2 78 91 11 GLU C C 176.040 0.30 1 79 91 11 GLU CA C 57.700 0.30 1 80 91 11 GLU CB C 31.380 0.30 1 81 91 11 GLU CG C 36.891 0.30 1 82 91 11 GLU N N 122.200 0.30 1 83 92 12 GLN H H 8.605 0.03 1 84 92 12 GLN HA H 4.834 0.03 1 85 92 12 GLN HB2 H 1.886 0.03 2 86 92 12 GLN HB3 H 1.984 0.03 2 87 92 12 GLN HG2 H 2.067 0.03 2 88 92 12 GLN HG3 H 2.261 0.03 2 89 92 12 GLN HE21 H 6.753 0.03 2 90 92 12 GLN HE22 H 6.934 0.03 2 91 92 12 GLN C C 174.920 0.30 1 92 92 12 GLN CA C 55.726 0.30 1 93 92 12 GLN CB C 28.992 0.30 1 94 92 12 GLN CG C 34.101 0.30 1 95 92 12 GLN N N 124.360 0.30 1 96 92 12 GLN NE2 N 111.330 0.30 1 97 93 13 VAL H H 8.997 0.03 1 98 93 13 VAL HA H 4.703 0.03 1 99 93 13 VAL HB H 1.994 0.03 1 100 93 13 VAL HG1 H 0.183 0.03 2 101 93 13 VAL HG2 H 0.116 0.03 2 102 93 13 VAL C C 174.780 0.30 1 103 93 13 VAL CA C 59.533 0.30 1 104 93 13 VAL CB C 35.987 0.30 1 105 93 13 VAL CG1 C 17.196 0.30 1 106 93 13 VAL CG2 C 21.825 0.30 1 107 93 13 VAL N N 118.540 0.30 1 108 94 14 LEU H H 8.618 0.03 1 109 94 14 LEU HA H 5.002 0.03 1 110 94 14 LEU HB2 H 1.142 0.03 2 111 94 14 LEU HB3 H 1.511 0.03 2 112 94 14 LEU HG H 1.372 0.03 1 113 94 14 LEU HD1 H 0.678 0.03 2 114 94 14 LEU HD2 H 0.654 0.03 2 115 94 14 LEU C C 175.290 0.30 1 116 94 14 LEU CA C 53.858 0.30 1 117 94 14 LEU CB C 44.658 0.30 1 118 94 14 LEU CG C 26.900 0.30 1 119 94 14 LEU CD1 C 25.490 0.30 1 120 94 14 LEU CD2 C 22.912 0.30 1 121 94 14 LEU N N 118.610 0.30 1 122 95 15 ALA H H 9.335 0.03 1 123 95 15 ALA HA H 5.865 0.03 1 124 95 15 ALA HB H 1.177 0.03 1 125 95 15 ALA C C 176.220 0.30 1 126 95 15 ALA CA C 49.950 0.30 1 127 95 15 ALA CB C 23.140 0.30 1 128 95 15 ALA N N 122.870 0.30 1 129 96 16 SER H H 8.513 0.03 1 130 96 16 SER HA H 4.520 0.03 1 131 96 16 SER HB2 H 2.714 0.03 2 132 96 16 SER HB3 H 2.869 0.03 2 133 96 16 SER C C 174.250 0.30 1 134 96 16 SER CA C 57.245 0.30 1 135 96 16 SER CB C 63.974 0.30 1 136 96 16 SER N N 117.200 0.30 1 137 97 17 TRP H H 8.621 0.03 1 138 97 17 TRP HA H 5.237 0.03 1 139 97 17 TRP HB2 H 3.011 0.03 2 140 97 17 TRP HB3 H 3.691 0.03 2 141 97 17 TRP HD1 H 7.194 0.03 1 142 97 17 TRP HE1 H 10.403 0.03 1 143 97 17 TRP HE3 H 7.536 0.03 1 144 97 17 TRP HZ2 H 7.401 0.03 1 145 97 17 TRP HZ3 H 6.999 0.03 1 146 97 17 TRP HH2 H 7.168 0.03 1 147 97 17 TRP C C 176.630 0.30 1 148 97 17 TRP CA C 54.890 0.30 1 149 97 17 TRP CB C 31.020 0.30 1 150 97 17 TRP CD1 C 126.960 0.30 1 151 97 17 TRP CZ2 C 115.815 0.30 1 152 97 17 TRP CZ3 C 122.943 0.30 1 153 97 17 TRP CH2 C 125.535 0.30 1 154 97 17 TRP N N 125.340 0.30 1 155 97 17 TRP NE1 N 132.304 0.30 1 156 98 18 SER H H 6.530 0.03 1 157 98 18 SER HA H 3.912 0.03 1 158 98 18 SER HB2 H 3.175 0.03 2 159 98 18 SER HB3 H 3.255 0.03 2 160 98 18 SER C C 173.650 0.30 1 161 98 18 SER CA C 59.400 0.30 1 162 98 18 SER CB C 62.330 0.30 1 163 98 18 SER N N 118.120 0.30 1 164 99 19 ASP H H 7.834 0.03 1 165 99 19 ASP HA H 4.440 0.03 1 166 99 19 ASP HB2 H 2.642 0.03 2 167 99 19 ASP HB3 H 3.051 0.03 2 168 99 19 ASP C C 176.200 0.30 1 169 99 19 ASP CA C 53.420 0.30 1 170 99 19 ASP CB C 40.190 0.30 1 171 99 19 ASP N N 119.980 0.30 1 172 100 20 SER H H 8.127 0.03 1 173 100 20 SER HA H 3.923 0.03 1 174 100 20 SER HB2 H 4.177 0.03 2 175 100 20 SER HB3 H 4.033 0.03 2 176 100 20 SER C C 173.090 0.30 1 177 100 20 SER CA C 60.410 0.30 1 178 100 20 SER CB C 62.350 0.30 1 179 100 20 SER N N 110.670 0.30 1 180 101 21 ARG H H 8.097 0.03 1 181 101 21 ARG HA H 4.471 0.03 1 182 101 21 ARG HB2 H 1.951 0.03 2 183 101 21 ARG HB3 H 1.504 0.03 2 184 101 21 ARG HG2 H 1.530 0.03 2 185 101 21 ARG HG3 H 1.414 0.03 2 186 101 21 ARG HD2 H 3.179 0.03 2 187 101 21 ARG HD3 H 3.179 0.03 2 188 101 21 ARG C C 174.190 0.30 1 189 101 21 ARG CA C 55.010 0.30 1 190 101 21 ARG CB C 31.000 0.30 1 191 101 21 ARG CG C 27.800 0.30 1 192 101 21 ARG CD C 43.450 0.30 1 193 101 21 ARG N N 120.850 0.30 1 194 102 22 PHE H H 8.400 0.03 1 195 102 22 PHE HA H 4.833 0.03 1 196 102 22 PHE HB2 H 2.897 0.03 2 197 102 22 PHE HB3 H 2.586 0.03 2 198 102 22 PHE HD1 H 7.005 0.03 3 199 102 22 PHE HE1 H 7.234 0.03 3 200 102 22 PHE HZ H 7.394 0.03 1 201 102 22 PHE C C 175.840 0.30 1 202 102 22 PHE CA C 57.740 0.30 1 203 102 22 PHE CB C 41.020 0.30 1 204 102 22 PHE CD1 C 131.692 0.30 3 205 102 22 PHE CZ C 129.790 0.30 1 206 102 22 PHE N N 118.370 0.30 1 207 103 23 TYR H H 9.263 0.03 1 208 103 23 TYR HA H 5.140 0.03 1 209 103 23 TYR HB2 H 3.320 0.03 2 210 103 23 TYR HB3 H 3.320 0.03 2 211 103 23 TYR HD1 H 7.128 0.03 3 212 103 23 TYR HD2 H 7.128 0.03 3 213 103 23 TYR HE2 H 7.538 0.03 3 214 103 23 TYR CA C 55.710 0.30 1 215 103 23 TYR CB C 41.660 0.30 1 216 103 23 TYR CD1 C 133.178 0.30 3 217 103 23 TYR CD2 C 131.914 0.30 3 218 103 23 TYR CE2 C 120.875 0.30 3 219 103 23 TYR N N 119.450 0.30 1 220 104 24 PRO HA H 5.028 0.03 1 221 104 24 PRO HB2 H 2.063 0.03 2 222 104 24 PRO HB3 H 2.403 0.03 2 223 104 24 PRO HG2 H 2.136 0.03 2 224 104 24 PRO HG3 H 1.954 0.03 2 225 104 24 PRO HD2 H 3.743 0.03 2 226 104 24 PRO HD3 H 3.975 0.03 2 227 104 24 PRO C C 175.500 0.30 1 228 104 24 PRO CA C 63.860 0.30 1 229 104 24 PRO CB C 32.600 0.30 1 230 104 24 PRO CG C 28.170 0.30 1 231 104 24 PRO CD C 51.049 0.30 1 232 105 25 ALA H H 9.121 0.03 1 233 105 25 ALA HA H 4.798 0.03 1 234 105 25 ALA HB H 0.673 0.03 1 235 105 25 ALA C C 174.470 0.30 1 236 105 25 ALA CA C 50.880 0.30 1 237 105 25 ALA CB C 23.400 0.30 1 238 105 25 ALA N N 124.530 0.30 1 239 106 26 LYS H H 8.064 0.03 1 240 106 26 LYS HA H 5.217 0.03 1 241 106 26 LYS HB2 H 1.538 0.03 2 242 106 26 LYS HB3 H 1.538 0.03 2 243 106 26 LYS HG2 H 1.221 0.03 2 244 106 26 LYS HG3 H 1.221 0.03 2 245 106 26 LYS HD2 H 1.595 0.03 2 246 106 26 LYS HD3 H 1.595 0.03 2 247 106 26 LYS HE2 H 2.889 0.03 2 248 106 26 LYS HE3 H 2.889 0.03 2 249 106 26 LYS C C 176.420 0.30 1 250 106 26 LYS CA C 54.000 0.30 1 251 106 26 LYS CB C 36.080 0.30 1 252 106 26 LYS CG C 24.671 0.30 1 253 106 26 LYS CD C 29.216 0.30 1 254 106 26 LYS CE C 41.809 0.30 1 255 106 26 LYS N N 117.940 0.30 1 256 107 27 VAL H H 8.264 0.03 1 257 107 27 VAL HA H 3.956 0.03 1 258 107 27 VAL HB H 2.438 0.03 1 259 107 27 VAL HG1 H 0.642 0.03 2 260 107 27 VAL HG2 H 0.876 0.03 2 261 107 27 VAL C C 177.040 0.30 1 262 107 27 VAL CA C 64.060 0.30 1 263 107 27 VAL CB C 31.930 0.30 1 264 107 27 VAL CG1 C 22.241 0.30 1 265 107 27 VAL CG2 C 22.847 0.30 1 266 107 27 VAL N N 123.950 0.30 1 267 108 28 THR H H 9.633 0.03 1 268 108 28 THR HA H 4.680 0.03 1 269 108 28 THR HB H 4.253 0.03 1 270 108 28 THR HG2 H 1.085 0.03 1 271 108 28 THR C C 175.270 0.30 1 272 108 28 THR CA C 62.180 0.30 1 273 108 28 THR CB C 68.940 0.30 1 274 108 28 THR CG2 C 22.458 0.30 1 275 108 28 THR N N 121.600 0.30 1 276 109 29 ALA H H 8.058 0.03 1 277 109 29 ALA HA H 4.439 0.03 1 278 109 29 ALA HB H 1.411 0.03 1 279 109 29 ALA C C 174.910 0.30 1 280 109 29 ALA CA C 53.410 0.30 1 281 109 29 ALA CB C 22.215 0.30 1 282 109 29 ALA N N 123.390 0.30 1 283 110 30 VAL H H 8.541 0.03 1 284 110 30 VAL HA H 4.100 0.03 1 285 110 30 VAL HB H 2.066 0.03 1 286 110 30 VAL HG1 H 0.929 0.03 2 287 110 30 VAL HG2 H 0.929 0.03 2 288 110 30 VAL C C 175.510 0.30 1 289 110 30 VAL CA C 62.680 0.30 1 290 110 30 VAL CB C 32.730 0.30 1 291 110 30 VAL CG1 C 21.189 0.30 1 292 110 30 VAL CG2 C 20.764 0.30 1 293 110 30 VAL N N 123.310 0.30 1 294 111 31 ASN H H 7.957 0.03 1 295 111 31 ASN HA H 4.937 0.03 1 296 111 31 ASN HB2 H 2.876 0.03 2 297 111 31 ASN HB3 H 2.691 0.03 2 298 111 31 ASN HD21 H 7.625 0.03 2 299 111 31 ASN HD22 H 6.934 0.03 2 300 111 31 ASN CA C 53.095 0.30 1 301 111 31 ASN CB C 39.550 0.30 1 302 111 31 ASN N N 123.230 0.30 1 303 111 31 ASN ND2 N 112.640 0.30 1 304 112 32 LYS HA H 4.184 0.03 1 305 112 32 LYS HB2 H 1.835 0.03 2 306 112 32 LYS HB3 H 1.926 0.03 2 307 112 32 LYS HG2 H 1.522 0.03 2 308 112 32 LYS HG3 H 1.522 0.03 2 309 112 32 LYS HD2 H 1.693 0.03 2 310 112 32 LYS HD3 H 1.693 0.03 2 311 112 32 LYS HE2 H 3.002 0.03 2 312 112 32 LYS HE3 H 3.002 0.03 2 313 112 32 LYS C C 176.120 0.30 1 314 112 32 LYS CA C 58.310 0.30 1 315 112 32 LYS CB C 31.910 0.30 1 316 112 32 LYS CG C 25.000 0.30 1 317 112 32 LYS CD C 29.165 0.30 1 318 112 32 LYS CE C 42.086 0.30 1 319 113 33 ASP H H 7.867 0.03 1 320 113 33 ASP HA H 4.532 0.03 1 321 113 33 ASP HB2 H 2.522 0.03 2 322 113 33 ASP HB3 H 3.067 0.03 2 323 113 33 ASP C C 177.040 0.30 1 324 113 33 ASP CA C 52.887 0.30 1 325 113 33 ASP CB C 39.990 0.30 1 326 113 33 ASP N N 117.410 0.30 1 327 114 34 GLY H H 7.944 0.03 1 328 114 34 GLY HA2 H 4.196 0.03 2 329 114 34 GLY HA3 H 3.651 0.03 2 330 114 34 GLY C C 174.640 0.30 1 331 114 34 GLY CA C 45.790 0.30 1 332 114 34 GLY N N 107.300 0.30 1 333 115 35 THR H H 7.381 0.03 1 334 115 35 THR HA H 4.824 0.03 1 335 115 35 THR HB H 4.218 0.03 1 336 115 35 THR HG2 H 1.041 0.03 1 337 115 35 THR C C 173.650 0.30 1 338 115 35 THR CA C 60.640 0.30 1 339 115 35 THR CB C 72.740 0.30 1 340 115 35 THR CG2 C 21.137 0.30 1 341 115 35 THR N N 108.940 0.30 1 342 116 36 TYR H H 9.058 0.03 1 343 116 36 TYR HA H 5.175 0.03 1 344 116 36 TYR HB2 H 2.490 0.03 2 345 116 36 TYR HB3 H 2.971 0.03 2 346 116 36 TYR HD1 H 7.100 0.03 3 347 116 36 TYR HD2 H 7.100 0.03 3 348 116 36 TYR HE2 H 7.225 0.03 3 349 116 36 TYR C C 175.890 0.30 1 350 116 36 TYR CA C 57.010 0.30 1 351 116 36 TYR CB C 42.170 0.30 1 352 116 36 TYR CD2 C 133.183 0.30 3 353 116 36 TYR CE2 C 118.895 0.30 3 354 116 36 TYR N N 116.170 0.30 1 355 117 37 THR H H 9.035 0.03 1 356 117 37 THR HA H 5.116 0.03 1 357 117 37 THR HB H 3.923 0.03 1 358 117 37 THR HG2 H 1.097 0.03 1 359 117 37 THR C C 173.990 0.30 1 360 117 37 THR CA C 63.060 0.30 1 361 117 37 THR CB C 69.255 0.30 1 362 117 37 THR CG2 C 23.106 0.30 1 363 117 37 THR N N 120.780 0.30 1 364 118 38 VAL H H 9.183 0.03 1 365 118 38 VAL HA H 5.249 0.03 1 366 118 38 VAL HB H 1.433 0.03 1 367 118 38 VAL HG1 H 0.202 0.03 2 368 118 38 VAL HG2 H 0.503 0.03 2 369 118 38 VAL C C 172.390 0.30 1 370 118 38 VAL CA C 57.740 0.30 1 371 118 38 VAL CB C 34.930 0.30 1 372 118 38 VAL CG1 C 17.760 0.30 1 373 118 38 VAL CG2 C 20.746 0.30 1 374 118 38 VAL N N 120.000 0.30 1 375 119 39 LYS H H 8.802 0.03 1 376 119 39 LYS HA H 5.062 0.03 1 377 119 39 LYS HB2 H 1.496 0.03 2 378 119 39 LYS HB3 H 1.655 0.03 2 379 119 39 LYS HG2 H 1.087 0.03 2 380 119 39 LYS HG3 H 1.424 0.03 2 381 119 39 LYS HD2 H 1.100 0.03 2 382 119 39 LYS HD3 H 1.596 0.03 2 383 119 39 LYS HE2 H 2.907 0.03 2 384 119 39 LYS HE3 H 2.907 0.03 2 385 119 39 LYS C C 178.050 0.30 1 386 119 39 LYS CA C 54.210 0.30 1 387 119 39 LYS CB C 34.920 0.30 1 388 119 39 LYS CG C 24.220 0.30 1 389 119 39 LYS CD C 29.660 0.30 1 390 119 39 LYS CE C 41.849 0.30 1 391 119 39 LYS N N 121.000 0.30 1 392 120 40 PHE H H 9.634 0.03 1 393 120 40 PHE HA H 4.746 0.03 1 394 120 40 PHE HB2 H 3.067 0.03 2 395 120 40 PHE HB3 H 3.166 0.03 2 396 120 40 PHE HD1 H 7.349 0.03 3 397 120 40 PHE HE1 H 7.400 0.03 3 398 120 40 PHE HZ H 7.185 0.03 1 399 120 40 PHE C C 178.110 0.30 1 400 120 40 PHE CA C 59.610 0.30 1 401 120 40 PHE CB C 42.040 0.30 1 402 120 40 PHE CD1 C 131.962 0.30 3 403 120 40 PHE CE1 C 129.814 0.30 3 404 120 40 PHE N N 127.480 0.30 1 405 121 41 TYR H H 8.679 0.03 1 406 121 41 TYR HA H 4.404 0.03 1 407 121 41 TYR HB2 H 3.171 0.03 2 408 121 41 TYR HB3 H 3.171 0.03 2 409 121 41 TYR HD1 H 7.372 0.03 3 410 121 41 TYR HE1 H 6.754 0.03 3 411 121 41 TYR HE2 H 6.754 0.03 3 412 121 41 TYR C C 174.890 0.30 1 413 121 41 TYR CA C 59.912 0.30 1 414 121 41 TYR CB C 37.440 0.30 1 415 121 41 TYR CD2 C 133.117 0.30 3 416 121 41 TYR CE2 C 118.510 0.30 3 417 121 41 TYR N N 119.600 0.30 1 418 122 42 ASP H H 7.128 0.03 1 419 122 42 ASP HA H 4.313 0.03 1 420 122 42 ASP HB2 H 1.916 0.03 2 421 122 42 ASP HB3 H 2.760 0.03 2 422 122 42 ASP C C 176.810 0.30 1 423 122 42 ASP CA C 52.670 0.30 1 424 122 42 ASP CB C 38.710 0.30 1 425 122 42 ASP N N 117.780 0.30 1 426 123 43 GLY H H 8.242 0.03 1 427 123 43 GLY HA2 H 3.403 0.03 2 428 123 43 GLY HA3 H 4.292 0.03 2 429 123 43 GLY C C 173.670 0.30 1 430 123 43 GLY CA C 45.250 0.30 1 431 123 43 GLY N N 108.200 0.30 1 432 124 44 VAL H H 6.877 0.03 1 433 124 44 VAL HA H 3.843 0.03 1 434 124 44 VAL HB H 1.778 0.03 1 435 124 44 VAL HG1 H 0.717 0.03 2 436 124 44 VAL HG2 H 0.914 0.03 2 437 124 44 VAL C C 174.610 0.30 1 438 124 44 VAL CA C 63.970 0.30 1 439 124 44 VAL CB C 32.240 0.30 1 440 124 44 VAL CG1 C 22.626 0.30 1 441 124 44 VAL CG2 C 21.253 0.30 1 442 124 44 VAL N N 121.320 0.30 1 443 125 45 VAL H H 8.529 0.03 1 444 125 45 VAL HA H 5.269 0.03 1 445 125 45 VAL HB H 1.914 0.03 1 446 125 45 VAL HG1 H 0.982 0.03 2 447 125 45 VAL HG2 H 0.830 0.03 2 448 125 45 VAL C C 176.640 0.30 1 449 125 45 VAL CA C 61.080 0.30 1 450 125 45 VAL CB C 33.420 0.30 1 451 125 45 VAL CG1 C 21.330 0.30 1 452 125 45 VAL CG2 C 21.170 0.30 1 453 125 45 VAL N N 129.030 0.30 1 454 126 46 GLN H H 8.989 0.03 1 455 126 46 GLN HA H 4.837 0.03 1 456 126 46 GLN HB2 H 2.086 0.03 2 457 126 46 GLN HB3 H 1.972 0.03 2 458 126 46 GLN HG2 H 2.383 0.03 2 459 126 46 GLN HG3 H 2.295 0.03 2 460 126 46 GLN HE21 H 7.041 0.03 2 461 126 46 GLN HE22 H 6.644 0.03 2 462 126 46 GLN C C 173.960 0.30 1 463 126 46 GLN CA C 54.640 0.30 1 464 126 46 GLN CB C 34.680 0.30 1 465 126 46 GLN CG C 33.760 0.30 1 466 126 46 GLN N N 125.880 0.30 1 467 126 46 GLN NE2 N 109.930 0.30 1 468 127 47 THR H H 8.912 0.03 1 469 127 47 THR HA H 5.347 0.03 1 470 127 47 THR HB H 4.034 0.03 1 471 127 47 THR HG2 H 1.129 0.03 1 472 127 47 THR C C 174.500 0.30 1 473 127 47 THR CA C 62.730 0.30 1 474 127 47 THR CB C 69.540 0.30 1 475 127 47 THR CG2 C 22.162 0.30 1 476 127 47 THR N N 121.970 0.30 1 477 128 48 VAL H H 9.513 0.03 1 478 128 48 VAL HA H 5.002 0.03 1 479 128 48 VAL HB H 2.488 0.03 1 480 128 48 VAL HG1 H 1.081 0.03 2 481 128 48 VAL HG2 H 0.938 0.03 2 482 128 48 VAL C C 174.840 0.30 1 483 128 48 VAL CA C 59.050 0.30 1 484 128 48 VAL CB C 35.840 0.30 1 485 128 48 VAL CG1 C 22.360 0.30 1 486 128 48 VAL CG2 C 19.952 0.30 1 487 128 48 VAL N N 121.810 0.30 1 488 129 49 LYS H H 9.021 0.03 1 489 129 49 LYS HA H 4.436 0.03 1 490 129 49 LYS HB2 H 1.584 0.03 2 491 129 49 LYS HB3 H 1.987 0.03 2 492 129 49 LYS HG2 H 1.505 0.03 2 493 129 49 LYS HG3 H 1.712 0.03 2 494 129 49 LYS HD2 H 1.681 0.03 2 495 129 49 LYS HD3 H 1.681 0.03 2 496 129 49 LYS HE2 H 3.123 0.03 2 497 129 49 LYS HE3 H 3.123 0.03 2 498 129 49 LYS C C 178.110 0.30 1 499 129 49 LYS CA C 57.110 0.30 1 500 129 49 LYS CB C 34.170 0.30 1 501 129 49 LYS CG C 25.937 0.30 1 502 129 49 LYS CD C 29.440 0.30 1 503 129 49 LYS CE C 42.033 0.30 1 504 129 49 LYS N N 121.050 0.30 1 505 130 50 HIS H H 8.679 0.03 1 506 130 50 HIS HA H 4.476 0.03 1 507 130 50 HIS HB2 H 3.516 0.03 2 508 130 50 HIS HB3 H 3.388 0.03 2 509 130 50 HIS HD2 H 7.064 0.03 1 510 130 50 HIS HE1 H 7.950 0.03 1 511 130 50 HIS C C 176.820 0.30 1 512 130 50 HIS CA C 60.350 0.30 1 513 130 50 HIS CB C 30.460 0.30 1 514 130 50 HIS CD2 C 119.596 0.30 1 515 130 50 HIS CE1 C 138.170 0.30 1 516 130 50 HIS N N 119.600 0.30 1 517 131 51 ILE H H 6.790 0.03 1 518 131 51 ILE HA H 4.260 0.03 1 519 131 51 ILE HB H 1.924 0.03 1 520 131 51 ILE HG12 H 0.813 0.03 1 521 131 51 ILE HG13 H 0.654 0.03 1 522 131 51 ILE HG2 H 0.696 0.03 1 523 131 51 ILE HD1 H 0.757 0.03 1 524 131 51 ILE C C 176.350 0.30 1 525 131 51 ILE CA C 62.710 0.30 1 526 131 51 ILE CB C 38.060 0.30 1 527 131 51 ILE CG1 C 26.210 0.30 1 528 131 51 ILE CG2 C 17.720 0.30 1 529 131 51 ILE CD1 C 14.317 0.30 1 530 131 51 ILE N N 109.320 0.30 1 531 132 52 HIS H H 8.064 0.03 1 532 132 52 HIS HA H 4.972 0.03 1 533 132 52 HIS HB2 H 3.283 0.03 2 534 132 52 HIS HB3 H 3.723 0.03 2 535 132 52 HIS HD2 H 6.957 0.03 1 536 132 52 HIS HE1 H 7.770 0.03 1 537 132 52 HIS C C 172.680 0.30 1 538 132 52 HIS CA C 55.110 0.30 1 539 132 52 HIS CB C 31.830 0.30 1 540 132 52 HIS CD2 C 116.881 0.30 1 541 132 52 HIS CE1 C 138.419 0.30 1 542 132 52 HIS N N 121.710 0.30 1 543 133 53 VAL H H 7.614 0.03 1 544 133 53 VAL HA H 5.004 0.03 1 545 133 53 VAL HB H 1.738 0.03 1 546 133 53 VAL HG1 H 0.049 0.03 2 547 133 53 VAL HG2 H 0.721 0.03 2 548 133 53 VAL C C 173.990 0.30 1 549 133 53 VAL CA C 61.300 0.30 1 550 133 53 VAL CB C 34.050 0.30 1 551 133 53 VAL CG1 C 22.168 0.30 1 552 133 53 VAL CG2 C 22.300 0.30 1 553 133 53 VAL N N 118.360 0.30 1 554 134 54 LYS H H 9.207 0.03 1 555 134 54 LYS HA H 4.820 0.03 1 556 134 54 LYS HB2 H 1.582 0.03 2 557 134 54 LYS HB3 H 1.716 0.03 2 558 134 54 LYS HG2 H 1.080 0.03 2 559 134 54 LYS HG3 H 1.080 0.03 2 560 134 54 LYS HD2 H 1.524 0.03 2 561 134 54 LYS HD3 H 1.435 0.03 2 562 134 54 LYS HE2 H 2.295 0.03 2 563 134 54 LYS HE3 H 1.823 0.03 2 564 134 54 LYS C C 173.820 0.30 1 565 134 54 LYS CA C 54.220 0.30 1 566 134 54 LYS CB C 36.630 0.30 1 567 134 54 LYS CG C 24.164 0.30 1 568 134 54 LYS CD C 29.216 0.30 1 569 134 54 LYS CE C 41.507 0.30 1 570 134 54 LYS N N 123.720 0.30 1 571 135 55 ALA H H 8.560 0.03 1 572 135 55 ALA HA H 4.436 0.03 1 573 135 55 ALA HB H 1.538 0.03 1 574 135 55 ALA C C 177.670 0.30 1 575 135 55 ALA CA C 52.200 0.30 1 576 135 55 ALA CB C 19.110 0.30 1 577 135 55 ALA N N 121.610 0.30 1 578 136 56 PHE H H 8.680 0.03 1 579 136 56 PHE HA H 4.263 0.03 1 580 136 56 PHE HB2 H 2.950 0.03 2 581 136 56 PHE HB3 H 2.837 0.03 2 582 136 56 PHE HD1 H 7.093 0.03 3 583 136 56 PHE HE1 H 7.251 0.03 3 584 136 56 PHE C C 175.380 0.30 1 585 136 56 PHE CA C 58.860 0.30 1 586 136 56 PHE CB C 40.150 0.30 1 587 136 56 PHE CD1 C 131.423 0.30 3 588 136 56 PHE CE1 C 131.511 0.30 3 589 136 56 PHE N N 120.080 0.30 1 590 137 57 SER H H 7.298 0.03 1 591 137 57 SER HA H 4.367 0.03 1 592 137 57 SER HB2 H 3.653 0.03 2 593 137 57 SER HB3 H 3.773 0.03 2 594 137 57 SER CA C 57.350 0.30 1 595 137 57 SER CB C 64.220 0.30 1 596 137 57 SER N N 117.820 0.30 1 597 138 58 LYS HA H 4.178 0.03 1 598 138 58 LYS HB2 H 1.757 0.03 2 599 138 58 LYS HB3 H 1.851 0.03 2 600 138 58 LYS HG2 H 1.436 0.03 2 601 138 58 LYS HG3 H 1.436 0.03 2 602 138 58 LYS HD2 H 1.688 0.03 2 603 138 58 LYS HD3 H 1.688 0.03 2 604 138 58 LYS HE2 H 3.012 0.03 2 605 138 58 LYS HE3 H 3.012 0.03 2 606 138 58 LYS C C 176.260 0.30 1 607 138 58 LYS CA C 56.740 0.30 1 608 138 58 LYS CB C 32.800 0.30 1 609 138 58 LYS CG C 24.744 0.30 1 610 138 58 LYS CD C 29.200 0.30 1 611 138 58 LYS CE C 42.180 0.30 1 612 139 59 ASP H H 8.245 0.03 1 613 139 59 ASP HA H 4.525 0.03 1 614 139 59 ASP HB2 H 2.556 0.03 2 615 139 59 ASP HB3 H 2.692 0.03 2 616 139 59 ASP CA C 54.640 0.30 1 617 139 59 ASP CB C 40.980 0.30 1 618 139 59 ASP N N 120.500 0.30 1 619 140 60 GLN H H 8.212 0.03 1 620 140 60 GLN HA H 4.247 0.03 1 621 140 60 GLN HB2 H 1.917 0.03 2 622 140 60 GLN HB3 H 2.114 0.03 2 623 140 60 GLN HG2 H 2.293 0.03 2 624 140 60 GLN HG3 H 2.293 0.03 2 625 140 60 GLN HE21 H 6.819 0.03 2 626 140 60 GLN HE22 H 7.519 0.03 2 627 140 60 GLN CA C 56.060 0.30 1 628 140 60 GLN CB C 29.390 0.30 1 629 140 60 GLN CG C 33.860 0.30 1 630 140 60 GLN N N 120.290 0.30 1 631 140 60 GLN NE2 N 112.458 0.30 1 632 141 61 ASN H H 8.064 0.03 1 633 141 61 ASN HA H 4.721 0.03 1 634 141 61 ASN HB2 H 2.821 0.03 2 635 141 61 ASN HB3 H 2.749 0.03 2 636 141 61 ASN HD21 H 6.921 0.03 2 637 141 61 ASN HD22 H 7.671 0.03 2 638 141 61 ASN CA C 53.079 0.30 1 639 141 61 ASN CB C 38.910 0.30 1 640 141 61 ASN N N 121.710 0.30 1 641 141 61 ASN ND2 N 113.133 0.30 1 642 142 62 ILE H H 8.010 0.03 1 643 142 62 ILE HA H 4.172 0.03 1 644 142 62 ILE HB H 1.877 0.03 1 645 142 62 ILE HG12 H 1.147 0.03 1 646 142 62 ILE HG13 H 1.424 0.03 1 647 142 62 ILE HG2 H 0.852 0.03 1 648 142 62 ILE HD1 H 0.815 0.03 1 649 142 62 ILE C C 176.330 0.30 1 650 142 62 ILE CA C 61.350 0.30 1 651 142 62 ILE CB C 38.575 0.30 1 652 142 62 ILE CG1 C 27.200 0.30 1 653 142 62 ILE CG2 C 17.442 0.30 1 654 142 62 ILE CD1 C 12.867 0.30 1 655 142 62 ILE N N 120.890 0.30 1 656 143 63 VAL H H 8.157 0.03 1 657 143 63 VAL HA H 4.108 0.03 1 658 143 63 VAL HB H 2.082 0.03 1 659 143 63 VAL HG1 H 1.066 0.03 2 660 143 63 VAL HG2 H 0.921 0.03 2 661 143 63 VAL C C 176.740 0.30 1 662 143 63 VAL CA C 62.710 0.30 1 663 143 63 VAL CB C 32.570 0.30 1 664 143 63 VAL CG1 C 20.470 0.30 1 665 143 63 VAL CG2 C 20.870 0.30 1 666 143 63 VAL N N 123.520 0.30 1 667 144 64 GLY H H 8.408 0.03 1 668 144 64 GLY HA2 H 3.955 0.03 2 669 144 64 GLY HA3 H 3.955 0.03 2 670 144 64 GLY C C 173.940 0.30 1 671 144 64 GLY CA C 45.480 0.30 1 672 144 64 GLY N N 112.060 0.30 1 673 145 65 ASN H H 8.305 0.03 1 674 145 65 ASN HA H 4.716 0.03 1 675 145 65 ASN HB2 H 2.803 0.03 2 676 145 65 ASN HB3 H 2.803 0.03 2 677 145 65 ASN HD21 H 6.632 0.03 2 678 145 65 ASN HD22 H 7.365 0.03 2 679 145 65 ASN C C 175.220 0.30 1 680 145 65 ASN CA C 53.160 0.30 1 681 145 65 ASN CB C 39.000 0.30 1 682 145 65 ASN N N 118.830 0.30 1 683 145 65 ASN ND2 N 113.424 0.30 1 684 146 66 ALA H H 8.341 0.03 1 685 146 66 ALA HA H 4.340 0.03 1 686 146 66 ALA HB H 1.401 0.03 1 687 146 66 ALA C C 177.870 0.30 1 688 146 66 ALA CA C 53.020 0.30 1 689 146 66 ALA CB C 19.090 0.30 1 690 146 66 ALA N N 124.400 0.30 1 691 147 67 ARG H H 8.358 0.03 1 692 147 67 ARG HA H 4.308 0.03 1 693 147 67 ARG HB2 H 1.769 0.03 2 694 147 67 ARG HB3 H 1.881 0.03 2 695 147 67 ARG HG2 H 1.630 0.03 2 696 147 67 ARG HG3 H 1.630 0.03 2 697 147 67 ARG HD2 H 3.179 0.03 2 698 147 67 ARG HD3 H 3.179 0.03 2 699 147 67 ARG C C 177.110 0.30 1 700 147 67 ARG CA C 56.590 0.30 1 701 147 67 ARG CB C 30.620 0.30 1 702 147 67 ARG CG C 27.130 0.30 1 703 147 67 ARG CD C 43.370 0.30 1 704 147 67 ARG N N 119.840 0.30 1 705 200 68 GLY H H 8.430 0.03 1 706 200 68 GLY HA2 H 4.000 0.03 2 707 200 68 GLY HA3 H 4.000 0.03 2 708 200 68 GLY C C 174.330 0.30 1 709 200 68 GLY CA C 45.420 0.30 1 710 200 68 GLY N N 109.790 0.30 1 711 201 69 SER H H 8.286 0.03 1 712 201 69 SER HA H 4.460 0.03 1 713 201 69 SER HB2 H 3.869 0.03 2 714 201 69 SER HB3 H 3.869 0.03 2 715 201 69 SER C C 174.300 0.30 1 716 201 69 SER CA C 58.680 0.30 1 717 201 69 SER CB C 63.860 0.30 1 718 201 69 SER N N 115.890 0.30 1 719 363 70 ARG H H 8.369 0.03 1 720 363 70 ARG HA H 4.345 0.03 1 721 363 70 ARG HB2 H 1.762 0.03 2 722 363 70 ARG HB3 H 1.887 0.03 2 723 363 70 ARG HG2 H 1.622 0.03 2 724 363 70 ARG HG3 H 1.622 0.03 2 725 363 70 ARG HD2 H 3.187 0.03 2 726 363 70 ARG HD3 H 3.187 0.03 2 727 363 70 ARG CA C 56.680 0.30 1 728 363 70 ARG CB C 30.590 0.30 1 729 363 70 ARG CG C 27.220 0.30 1 730 363 70 ARG CD C 43.400 0.30 1 731 363 70 ARG N N 123.540 0.30 1 732 364 71 ALA H H 8.267 0.03 1 733 364 71 ALA HA H 4.264 0.03 1 734 364 71 ALA HB H 1.323 0.03 1 735 364 71 ALA CA C 52.655 0.30 1 736 364 71 ALA CB C 19.130 0.30 1 737 364 71 ALA N N 124.540 0.30 1 738 365 72 HIS H H 8.447 0.03 1 739 365 72 HIS HA H 4.824 0.03 1 740 365 72 HIS HB2 H 3.130 0.03 2 741 365 72 HIS HB3 H 3.130 0.03 2 742 365 72 HIS HE1 H 7.777 0.03 1 743 365 72 HIS CE1 C 138.430 0.30 1 744 366 73 SER H H 8.287 0.03 1 745 366 73 SER HA H 4.460 0.03 1 746 366 73 SER HB2 H 3.875 0.03 2 747 366 73 SER HB3 H 3.875 0.03 2 748 366 73 SER CA C 58.330 0.30 1 749 366 73 SER CB C 64.030 0.30 1 750 366 73 SER N N 117.450 0.30 1 751 367 74 SER H H 8.287 0.03 1 752 367 74 SER HA H 4.460 0.03 1 753 367 74 SER HB2 H 3.875 0.03 2 754 367 74 SER HB3 H 3.875 0.03 2 755 367 74 SER CA C 58.330 0.30 1 756 367 74 SER CB C 64.030 0.30 1 757 367 74 SER N N 117.450 0.30 1 758 368 75 HIS HB3 H 3.140 0.03 2 759 368 75 HIS HE1 H 7.952 0.03 1 760 368 75 HIS CE1 C 138.159 0.30 1 761 369 76 LEU H H 8.085 0.03 1 762 369 76 LEU HA H 4.338 0.03 1 763 369 76 LEU HB2 H 1.639 0.03 2 764 369 76 LEU HB3 H 1.566 0.03 2 765 369 76 LEU HG H 1.435 0.03 1 766 369 76 LEU HD1 H 0.901 0.03 2 767 369 76 LEU HD2 H 0.836 0.03 2 768 369 76 LEU CA C 55.220 0.30 1 769 369 76 LEU CB C 42.147 0.30 1 770 369 76 LEU CG C 26.933 0.30 1 771 369 76 LEU CD1 C 25.017 0.30 1 772 369 76 LEU CD2 C 23.307 0.30 1 773 369 76 LEU N N 122.205 0.30 1 774 370 77 M2L CA C 55.771 0.30 1 775 370 77 M2L HA H 4.534 0.03 1 776 370 77 M2L CB C 35.170 0.30 1 777 370 77 M2L HB H 2.852 0.03 2 778 370 77 M2L HBA H 2.987 0.03 2 779 370 77 M2L HE H 3.166 0.03 2 780 370 77 M2L HEA H 2.980 0.03 2 781 370 77 M2L CM1 C 46.770 0.30 1 782 370 77 M2L HM1 H 2.411 0.03 1 783 370 77 M2L HM1A H 2.411 0.03 1 784 370 77 M2L HM1B H 2.411 0.03 1 785 370 77 M2L CM2 C 46.770 0.30 1 786 370 77 M2L HM2 H 2.411 0.03 1 787 370 77 M2L HM2A H 2.411 0.03 1 788 370 77 M2L HM2B H 2.411 0.03 1 789 371 78 SER HB2 H 3.870 0.03 2 790 371 78 SER CB C 64.270 0.30 1 791 372 79 LYS H H 8.416 0.03 1 792 372 79 LYS HA H 4.348 0.03 1 793 372 79 LYS HB2 H 1.859 0.03 2 794 372 79 LYS HB3 H 1.760 0.03 2 795 372 79 LYS HG2 H 1.431 0.03 2 796 372 79 LYS HG3 H 1.431 0.03 2 797 372 79 LYS HD2 H 1.685 0.03 2 798 372 79 LYS HD3 H 1.685 0.03 2 799 372 79 LYS HE2 H 3.009 0.03 2 800 372 79 LYS HE3 H 3.009 0.03 2 801 372 79 LYS CA C 56.640 0.30 1 802 372 79 LYS CB C 33.150 0.30 1 803 372 79 LYS CG C 24.696 0.30 1 804 372 79 LYS CD C 29.140 0.30 1 805 372 79 LYS CE C 42.125 0.30 1 806 372 79 LYS N N 123.390 0.30 1 807 373 80 LYS H H 8.416 0.03 1 808 373 80 LYS HA H 4.348 0.03 1 809 373 80 LYS HB2 H 1.859 0.03 2 810 373 80 LYS HB3 H 1.760 0.03 2 811 373 80 LYS HG2 H 1.431 0.03 2 812 373 80 LYS HG3 H 1.431 0.03 2 813 373 80 LYS HD2 H 1.685 0.03 2 814 373 80 LYS HD3 H 1.685 0.03 2 815 373 80 LYS HE2 H 3.009 0.03 2 816 373 80 LYS HE3 H 3.009 0.03 2 817 373 80 LYS CA C 56.286 0.30 1 818 373 80 LYS CB C 33.150 0.30 1 819 373 80 LYS CG C 24.696 0.30 1 820 373 80 LYS CD C 29.140 0.30 1 821 373 80 LYS CE C 42.125 0.30 1 822 373 80 LYS N N 123.390 0.30 1 823 374 81 GLY H H 8.021 0.03 1 824 374 81 GLY HA2 H 3.761 0.03 2 825 374 81 GLY HA3 H 3.761 0.03 2 826 374 81 GLY CA C 46.271 0.30 1 827 374 81 GLY N N 116.660 0.30 1 stop_ save_