data_17050 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Tudor domain from Drosophila Polycomblike ; _BMRB_accession_number 17050 _BMRB_flat_file_name bmr17050.str _Entry_type original _Submission_date 2010-07-08 _Accession_date 2010-07-08 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Solution structure of the Tudor domain from Drosophila Polycomblike (Pcl)' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Friberg A. . . 2 Oddone A. . . 3 Klymenko T. . . 4 Mueller J. . . 5 Sattler M. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 376 "13C chemical shifts" 220 "15N chemical shifts" 66 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-09-28 update BMRB 'Edit entry citation' 2010-08-12 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure of an atypical Tudor domain in the Drosophila Polycomblike protein.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20669242 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Friberg Anders . . 2 Oddone Anna . . 3 Klymenko Tetyana . . 4 Muller Jurg . . 5 Sattler Michael . . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_name_full 'Protein science : a publication of the Protein Society' _Journal_volume 19 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1906 _Page_last 1916 _Year 2010 _Details . loop_ _Keyword 'aromatic cage' methyllysine NMR Pcl Polycomblike 'posttranslational modification' PRC2 sDMA 'transcriptional regulation' Tudor stop_ save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'Solution structure of the Tudor domain from Drosophila Polycomblike (Pcl)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'POLYCOMB PROTEIN PCL' $POLYCOMB_PROTEIN_PCL stop_ _System_molecular_weight 7578.4194 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_POLYCOMB_PROTEIN_PCL _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common POLYCOMB_PROTEIN_PCL _Molecular_mass 7578.4194 _Mol_thiol_state 'all free' loop_ _Biological_function 'transcriptional repression' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 69 _Mol_residue_sequence ; GAMAPPVAAPSPAVTYALQE DVFIKCNDGRFYLGTIIDQT SDQYLIRFDDQSEQWCEPDK LRKLGGGSS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 7 GLY 2 8 ALA 3 9 MET 4 10 ALA 5 11 PRO 6 12 PRO 7 13 VAL 8 14 ALA 9 15 ALA 10 16 PRO 11 17 SER 12 18 PRO 13 19 ALA 14 20 VAL 15 21 THR 16 22 TYR 17 23 ALA 18 24 LEU 19 25 GLN 20 26 GLU 21 27 ASP 22 28 VAL 23 29 PHE 24 30 ILE 25 31 LYS 26 32 CYS 27 33 ASN 28 34 ASP 29 35 GLY 30 36 ARG 31 37 PHE 32 38 TYR 33 39 LEU 34 40 GLY 35 41 THR 36 42 ILE 37 43 ILE 38 44 ASP 39 45 GLN 40 46 THR 41 47 SER 42 48 ASP 43 49 GLN 44 50 TYR 45 51 LEU 46 52 ILE 47 53 ARG 48 54 PHE 49 55 ASP 50 56 ASP 51 57 GLN 52 58 SER 53 59 GLU 54 60 GLN 55 61 TRP 56 62 CYS 57 63 GLU 58 64 PRO 59 65 ASP 60 66 LYS 61 67 LEU 62 68 ARG 63 69 LYS 64 70 LEU 65 71 GLY 66 72 GLY 67 73 GLY 68 74 SER 69 75 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2XK0 "Solution Structure Of The Tudor Domain From Drosophila Polycomblike (Pcl)" 100.00 69 100.00 100.00 7.96e-43 GB AAA64457 "polycomblike nuclear protein [Drosophila melanogaster]" 95.65 857 100.00 100.00 5.68e-37 GB AAF57748 "polycomblike, isoform A [Drosophila melanogaster]" 95.65 1043 100.00 100.00 4.80e-37 GB AAL68389 "SD09488p [Drosophila melanogaster]" 95.65 1043 100.00 100.00 4.80e-37 GB ACL83738 "Pcl-PA, partial [synthetic construct]" 95.65 1043 100.00 100.00 4.80e-37 GB ACL88860 "Pcl-PA [synthetic construct]" 95.65 1043 100.00 100.00 4.80e-37 REF NP_001261067 "polycomblike, isoform B [Drosophila melanogaster]" 95.65 1043 100.00 100.00 4.80e-37 REF NP_476672 "polycomblike, isoform A [Drosophila melanogaster]" 95.65 1043 100.00 100.00 4.80e-37 REF XP_001974621 "GG21845 [Drosophila erecta]" 95.65 1041 98.48 100.00 1.04e-36 REF XP_002034393 "GM21846 [Drosophila sechellia]" 95.65 1041 100.00 100.00 4.93e-37 REF XP_002082031 "GD11340 [Drosophila simulans]" 95.65 1041 100.00 100.00 5.02e-37 SP Q24459 "RecName: Full=Polycomb protein Pcl; AltName: Full=Polycomblike protein" 95.65 1043 100.00 100.00 4.80e-37 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $POLYCOMB_PROTEIN_PCL 'FRUIT FLY' 7227 Eukaryota Metazoa Drosophila melanogaster stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name _Details $POLYCOMB_PROTEIN_PCL 'recombinant technology' 'Escherichia coli' Escherichia coli BL21(DE3) PLYSS pET-24d 'A GFP-tag (Green Fluorescence Protein) had been inserted into the expression system plasmid to facilitate purification.' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 0.25mM loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $POLYCOMB_PROTEIN_PCL . mM 0.25 1.0 '[U-13C; U-15N]' salt 25 mM . . 'natural abundance' buffer 20 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version any loop_ _Vendor _Address _Electronic_address BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- . . stop_ loop_ _Task refinement stop_ _Details 'additionally water-refined' save_ save_NMRView _Saveframe_category software _Name NMRView _Version any loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 0 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_(H)CC(CO)NH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CC(CO)NH-TOCSY _Sample_label $sample_1 save_ save_H(CC)(CO)NH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name H(CC)(CO)NH-TOCSY _Sample_label $sample_1 save_ save_H(C)CH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name H(C)CH-TOCSY _Sample_label $sample_1 save_ save_(HB)CB(CGCD)HD_7 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCD)HD _Sample_label $sample_1 save_ save_(HB)CB(CGCDCE)HE_8 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCDCE)HE _Sample_label $sample_1 save_ save_1H-15N_HSQC-NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC-NOESY' _Sample_label $sample_1 save_ save_1H-13C_HMQC-NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HMQC-NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'pH [6.3], temp [298.5], pressure [1], ionStrength [25.0]' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 25.000 . mM pH 6.300 . pH pressure 1.000 . atm temperature 298.500 . 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 water C 13 protons ppm 4.740 internal indirect . . . 0.251449530 water H 1 protons ppm 4.740 internal direct . . . 1 water N 15 protons ppm 4.740 internal 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 HNCA HNCACB CBCA(CO)NH (H)CC(CO)NH-TOCSY H(CC)(CO)NH-TOCSY H(C)CH-TOCSY (HB)CB(CGCD)HD (HB)CB(CGCDCE)HE 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 'POLYCOMB PROTEIN PCL' _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 8 2 ALA HA H 4.308 0.03 1 2 8 2 ALA HB H 1.350 0.03 1 3 8 2 ALA CA C 52.464 0.30 1 4 8 2 ALA CB C 19.471 0.30 1 5 9 3 MET H H 8.451 0.03 1 6 9 3 MET HA H 4.445 0.03 1 7 9 3 MET HB2 H 1.990 0.03 2 8 9 3 MET HB3 H 2.048 0.03 2 9 9 3 MET HE H 2.082 0.03 1 10 9 3 MET HG2 H 2.534 0.03 2 11 9 3 MET HG3 H 2.534 0.03 2 12 9 3 MET CA C 54.748 0.30 1 13 9 3 MET CB C 32.922 0.30 1 14 9 3 MET CE C 16.933 0.30 1 15 9 3 MET CG C 31.907 0.30 1 16 9 3 MET N N 120.500 0.30 1 17 10 4 ALA H H 8.340 0.03 1 18 10 4 ALA HA H 4.565 0.03 1 19 10 4 ALA HB H 1.319 0.03 1 20 10 4 ALA CA C 50.180 0.30 1 21 10 4 ALA CB C 17.948 0.30 1 22 10 4 ALA N N 127.751 0.30 1 23 11 5 PRO HA H 4.647 0.03 1 24 11 5 PRO HD2 H 3.780 0.03 2 25 11 5 PRO HD3 H 3.640 0.03 2 26 11 5 PRO HG2 H 2.014 0.03 2 27 11 5 PRO HG3 H 2.014 0.03 2 28 11 5 PRO CA C 61.093 0.30 1 29 11 5 PRO CD C 50.180 0.30 1 30 11 5 PRO CG C 27.085 0.30 1 31 12 6 PRO HA H 4.439 0.03 1 32 12 6 PRO HB2 H 1.865 0.03 2 33 12 6 PRO HB3 H 2.237 0.03 2 34 12 6 PRO HD2 H 3.589 0.03 2 35 12 6 PRO HD3 H 3.758 0.03 2 36 12 6 PRO HG2 H 1.919 0.03 2 37 12 6 PRO HG3 H 1.919 0.03 2 38 12 6 PRO CA C 62.718 0.30 1 39 12 6 PRO CB C 31.907 0.30 1 40 12 6 PRO CD C 49.926 0.30 1 41 12 6 PRO CG C 27.342 0.30 1 42 13 7 VAL H H 8.140 0.03 1 43 13 7 VAL HA H 4.028 0.03 1 44 13 7 VAL HB H 2.003 0.03 1 45 13 7 VAL HG2 H 0.909 0.03 2 46 13 7 VAL CA C 61.855 0.30 1 47 13 7 VAL CB C 32.668 0.30 1 48 13 7 VAL CG2 C 20.990 0.30 1 49 13 7 VAL N N 120.600 0.30 1 50 14 8 ALA H H 8.336 0.03 1 51 14 8 ALA HA H 4.307 0.03 1 52 14 8 ALA HB H 1.349 0.03 1 53 14 8 ALA CA C 52.464 0.30 1 54 14 8 ALA CB C 19.471 0.30 1 55 14 8 ALA N N 128.439 0.30 1 56 15 9 ALA H H 8.276 0.03 1 57 15 9 ALA HA H 4.567 0.03 1 58 15 9 ALA HB H 1.353 0.03 1 59 15 9 ALA CA C 50.180 0.30 1 60 15 9 ALA CB C 17.948 0.30 1 61 15 9 ALA N N 125.457 0.30 1 62 16 10 PRO HA H 4.436 0.03 1 63 16 10 PRO HB2 H 2.280 0.03 2 64 16 10 PRO HB3 H 2.280 0.03 2 65 16 10 PRO HD2 H 3.671 0.03 2 66 16 10 PRO HD3 H 3.594 0.03 2 67 16 10 PRO HG2 H 1.919 0.03 2 68 16 10 PRO HG3 H 1.919 0.03 2 69 16 10 PRO CA C 62.825 0.30 1 70 16 10 PRO CB C 32.055 0.30 1 71 16 10 PRO CD C 50.424 0.30 1 72 16 10 PRO CG C 27.386 0.30 1 73 17 11 SER H H 8.441 0.03 1 74 17 11 SER HA H 4.450 0.03 1 75 17 11 SER HB2 H 3.734 0.03 2 76 17 11 SER HB3 H 3.848 0.03 2 77 17 11 SER CA C 56.411 0.30 1 78 17 11 SER CB C 63.594 0.30 1 79 17 11 SER N N 117.888 0.30 1 80 18 12 PRO HA H 4.431 0.03 1 81 18 12 PRO HB2 H 1.898 0.03 2 82 18 12 PRO HB3 H 2.289 0.03 2 83 18 12 PRO HD2 H 3.709 0.03 2 84 18 12 PRO HD3 H 3.815 0.03 2 85 18 12 PRO HG2 H 1.919 0.03 2 86 18 12 PRO HG3 H 1.919 0.03 2 87 18 12 PRO CA C 63.131 0.30 1 88 18 12 PRO CB C 31.907 0.30 1 89 18 12 PRO CD C 50.666 0.30 1 90 18 12 PRO CG C 27.352 0.30 1 91 19 13 ALA H H 8.330 0.03 1 92 19 13 ALA HA H 4.309 0.03 1 93 19 13 ALA HB H 1.352 0.03 1 94 19 13 ALA CA C 52.464 0.30 1 95 19 13 ALA CB C 19.471 0.30 1 96 19 13 ALA N N 124.811 0.30 1 97 20 14 VAL H H 8.076 0.03 1 98 20 14 VAL HA H 4.064 0.03 1 99 20 14 VAL HB H 1.922 0.03 1 100 20 14 VAL HG1 H 0.838 0.03 2 101 20 14 VAL HG2 H 0.696 0.03 2 102 20 14 VAL CA C 61.600 0.30 1 103 20 14 VAL CB C 32.922 0.30 1 104 20 14 VAL CG1 C 20.490 0.30 1 105 20 14 VAL CG2 C 21.250 0.30 1 106 20 14 VAL N N 120.317 0.30 1 107 21 15 THR H H 7.977 0.03 1 108 21 15 THR HA H 4.439 0.03 1 109 21 15 THR HB H 4.106 0.03 1 110 21 15 THR HG2 H 1.116 0.03 1 111 21 15 THR CA C 60.330 0.30 1 112 21 15 THR CB C 70.483 0.30 1 113 21 15 THR CG2 C 21.502 0.30 1 114 21 15 THR N N 118.117 0.30 1 115 22 16 TYR H H 8.000 0.03 1 116 22 16 TYR HA H 4.722 0.03 1 117 22 16 TYR HB2 H 2.061 0.03 2 118 22 16 TYR HB3 H 2.500 0.03 2 119 22 16 TYR HD1 H 6.781 0.03 3 120 22 16 TYR HE1 H 6.414 0.03 3 121 22 16 TYR CA C 56.779 0.30 1 122 22 16 TYR CB C 41.551 0.30 1 123 22 16 TYR CD1 C 133.137 0.30 3 124 22 16 TYR CE1 C 117.113 0.30 3 125 22 16 TYR N N 120.745 0.30 1 126 23 17 ALA H H 8.796 0.03 1 127 23 17 ALA HA H 4.726 0.03 1 128 23 17 ALA HB H 1.380 0.03 1 129 23 17 ALA CA C 49.670 0.30 1 130 23 17 ALA CB C 22.200 0.30 1 131 23 17 ALA N N 125.241 0.30 1 132 24 18 LEU H H 8.155 0.03 1 133 24 18 LEU HA H 3.769 0.03 1 134 24 18 LEU HB2 H 1.420 0.03 2 135 24 18 LEU HB3 H 1.705 0.03 2 136 24 18 LEU HD1 H 0.795 0.03 2 137 24 18 LEU HD2 H 0.958 0.03 2 138 24 18 LEU HG H 1.757 0.03 1 139 24 18 LEU CA C 56.525 0.30 1 140 24 18 LEU CB C 41.297 0.30 1 141 24 18 LEU CD1 C 23.024 0.30 2 142 24 18 LEU CD2 C 25.055 0.30 2 143 24 18 LEU CG C 27.014 0.30 1 144 24 18 LEU N N 117.534 0.30 1 145 25 19 GLN H H 8.943 0.03 1 146 25 19 GLN HA H 3.636 0.03 1 147 25 19 GLN HB2 H 2.352 0.03 2 148 25 19 GLN HB3 H 2.352 0.03 2 149 25 19 GLN HE21 H 6.677 0.03 2 150 25 19 GLN HE22 H 7.553 0.03 2 151 25 19 GLN HG2 H 2.218 0.03 2 152 25 19 GLN HG3 H 2.360 0.03 2 153 25 19 GLN CA C 57.286 0.30 1 154 25 19 GLN CB C 25.308 0.30 1 155 25 19 GLN CG C 33.940 0.30 1 156 25 19 GLN N N 115.179 0.30 1 157 25 19 GLN NE2 N 111.341 0.30 1 158 26 20 GLU H H 7.749 0.03 1 159 26 20 GLU HA H 4.184 0.03 1 160 26 20 GLU HB2 H 2.067 0.03 2 161 26 20 GLU HB3 H 2.228 0.03 2 162 26 20 GLU HG2 H 2.341 0.03 2 163 26 20 GLU HG3 H 2.341 0.03 2 164 26 20 GLU CA C 56.531 0.30 1 165 26 20 GLU CB C 32.415 0.30 1 166 26 20 GLU CG C 35.714 0.30 1 167 26 20 GLU N N 122.886 0.30 1 168 27 21 ASP H H 8.230 0.03 1 169 27 21 ASP HA H 5.465 0.03 1 170 27 21 ASP HB2 H 2.423 0.03 2 171 27 21 ASP HB3 H 2.505 0.03 2 172 27 21 ASP CA C 53.733 0.30 1 173 27 21 ASP CB C 41.044 0.30 1 174 27 21 ASP N N 127.168 0.30 1 175 28 22 VAL H H 8.965 0.03 1 176 28 22 VAL HA H 4.579 0.03 1 177 28 22 VAL HB H 2.182 0.03 1 178 28 22 VAL HG1 H 0.360 0.03 2 179 28 22 VAL HG2 H 0.772 0.03 2 180 28 22 VAL CA C 59.317 0.30 1 181 28 22 VAL CB C 35.968 0.30 1 182 28 22 VAL CG1 C 18.202 0.30 2 183 28 22 VAL CG2 C 23.786 0.30 2 184 28 22 VAL N N 115.821 0.30 1 185 29 23 PHE H H 8.388 0.03 1 186 29 23 PHE HA H 5.584 0.03 1 187 29 23 PHE HB2 H 2.714 0.03 2 188 29 23 PHE HB3 H 2.926 0.03 2 189 29 23 PHE HD1 H 6.875 0.03 3 190 29 23 PHE HE1 H 7.232 0.03 3 191 29 23 PHE HZ H 7.132 0.03 1 192 29 23 PHE CA C 56.525 0.30 1 193 29 23 PHE CB C 42.059 0.30 1 194 29 23 PHE CD1 C 130.670 0.30 3 195 29 23 PHE CE1 C 131.900 0.30 3 196 29 23 PHE CZ C 129.440 0.30 1 197 29 23 PHE N N 116.678 0.30 1 198 30 24 ILE H H 9.482 0.03 1 199 30 24 ILE HA H 5.037 0.03 1 200 30 24 ILE HB H 1.915 0.03 1 201 30 24 ILE HD1 H 0.650 0.03 1 202 30 24 ILE HG12 H 1.191 0.03 1 203 30 24 ILE HG13 H 1.294 0.03 1 204 30 24 ILE HG2 H 0.961 0.03 1 205 30 24 ILE CA C 58.809 0.30 1 206 30 24 ILE CB C 40.790 0.30 1 207 30 24 ILE CD1 C 15.664 0.30 1 208 30 24 ILE CG1 C 28.608 0.30 1 209 30 24 ILE CG2 C 19.725 0.30 1 210 30 24 ILE N N 119.247 0.30 1 211 31 25 LYS H H 9.189 0.03 1 212 31 25 LYS HA H 3.983 0.03 1 213 31 25 LYS HB2 H 1.272 0.03 2 214 31 25 LYS HB3 H 1.693 0.03 2 215 31 25 LYS HD2 H 1.436 0.03 2 216 31 25 LYS HD3 H 1.436 0.03 2 217 31 25 LYS HE2 H 2.756 0.03 2 218 31 25 LYS HE3 H 2.705 0.03 2 219 31 25 LYS HG2 H 0.540 0.03 2 220 31 25 LYS HG3 H 1.144 0.03 2 221 31 25 LYS CA C 55.763 0.30 1 222 31 25 LYS CB C 32.188 0.30 1 223 31 25 LYS CD C 29.115 0.30 1 224 31 25 LYS CE C 41.551 0.30 1 225 31 25 LYS CG C 24.547 0.30 1 226 31 25 LYS N N 129.095 0.30 1 227 32 26 CYS H H 8.406 0.03 1 228 32 26 CYS HA H 4.706 0.03 1 229 32 26 CYS HB2 H 3.088 0.03 2 230 32 26 CYS HB3 H 2.967 0.03 2 231 32 26 CYS CA C 59.100 0.30 1 232 32 26 CYS CB C 29.370 0.30 1 233 32 26 CYS N N 125.884 0.30 1 234 33 27 ASN HA H 4.385 0.03 1 235 33 27 ASN HB2 H 2.856 0.03 2 236 33 27 ASN HB3 H 2.856 0.03 2 237 33 27 ASN HD21 H 6.986 0.03 2 238 33 27 ASN HD22 H 7.605 0.03 2 239 33 27 ASN CA C 55.510 0.30 1 240 33 27 ASN CB C 37.744 0.30 1 241 33 27 ASN ND2 N 112.663 0.30 1 242 34 28 ASP H H 8.045 0.03 1 243 34 28 ASP HA H 4.432 0.03 1 244 34 28 ASP HB2 H 2.602 0.03 2 245 34 28 ASP HB3 H 2.967 0.03 2 246 34 28 ASP CA C 53.479 0.30 1 247 34 28 ASP CB C 39.521 0.30 1 248 34 28 ASP N N 117.962 0.30 1 249 35 29 GLY H H 8.238 0.03 1 250 35 29 GLY HA2 H 3.452 0.03 2 251 35 29 GLY HA3 H 4.173 0.03 2 252 35 29 GLY CA C 45.104 0.30 1 253 35 29 GLY N N 108.328 0.30 1 254 36 30 ARG H H 7.830 0.03 1 255 36 30 ARG HA H 4.343 0.03 1 256 36 30 ARG HB2 H 1.875 0.03 2 257 36 30 ARG HB3 H 1.498 0.03 2 258 36 30 ARG HD2 H 3.024 0.03 2 259 36 30 ARG HD3 H 3.024 0.03 2 260 36 30 ARG HG2 H 1.374 0.03 2 261 36 30 ARG HG3 H 1.374 0.03 2 262 36 30 ARG CA C 55.002 0.30 1 263 36 30 ARG CB C 31.399 0.30 1 264 36 30 ARG CD C 43.328 0.30 1 265 36 30 ARG CG C 27.593 0.30 1 266 36 30 ARG N N 120.960 0.30 1 267 37 31 PHE H H 8.194 0.03 1 268 37 31 PHE HA H 5.412 0.03 1 269 37 31 PHE HB2 H 2.528 0.03 2 270 37 31 PHE HB3 H 2.564 0.03 2 271 37 31 PHE HD1 H 6.987 0.03 3 272 37 31 PHE HE1 H 7.228 0.03 3 273 37 31 PHE HZ H 7.233 0.03 1 274 37 31 PHE CA C 56.779 0.30 1 275 37 31 PHE CB C 41.044 0.30 1 276 37 31 PHE CD1 C 131.288 0.30 3 277 37 31 PHE CE1 C 131.290 0.30 3 278 37 31 PHE CZ C 129.440 0.30 1 279 37 31 PHE N N 117.534 0.30 1 280 38 32 TYR H H 9.176 0.03 1 281 38 32 TYR HA H 4.896 0.03 1 282 38 32 TYR HB2 H 2.764 0.03 2 283 38 32 TYR HB3 H 3.228 0.03 2 284 38 32 TYR HD1 H 7.156 0.03 3 285 38 32 TYR HE1 H 6.996 0.03 3 286 38 32 TYR CA C 56.525 0.30 1 287 38 32 TYR CB C 41.805 0.30 1 288 38 32 TYR CD1 C 133.750 0.30 3 289 38 32 TYR CE1 C 117.730 0.30 3 290 38 32 TYR N N 122.030 0.30 1 291 39 33 LEU H H 8.799 0.03 1 292 39 33 LEU HA H 4.820 0.03 1 293 39 33 LEU HB2 H 1.484 0.03 2 294 39 33 LEU HB3 H 1.718 0.03 2 295 39 33 LEU HD1 H 0.624 0.03 2 296 39 33 LEU HD2 H 0.637 0.03 2 297 39 33 LEU HG H 1.462 0.03 1 298 39 33 LEU CA C 54.748 0.30 1 299 39 33 LEU CB C 43.581 0.30 1 300 39 33 LEU CD1 C 24.293 0.30 2 301 39 33 LEU CD2 C 25.050 0.30 1 302 39 33 LEU CG C 27.423 0.30 1 303 39 33 LEU N N 124.813 0.30 1 304 40 34 GLY H H 8.860 0.03 1 305 40 34 GLY HA2 H 3.066 0.03 2 306 40 34 GLY HA3 H 4.488 0.03 2 307 40 34 GLY CA C 44.860 0.30 1 308 40 34 GLY N N 112.180 0.30 1 309 41 35 THR H H 8.108 0.03 1 310 41 35 THR HA H 5.051 0.03 1 311 41 35 THR HB H 3.392 0.03 1 312 41 35 THR HG2 H 0.933 0.03 1 313 41 35 THR CA C 61.098 0.30 1 314 41 35 THR CB C 72.006 0.30 1 315 41 35 THR CG2 C 21.248 0.30 1 316 41 35 THR N N 115.821 0.30 1 317 42 36 ILE H H 8.425 0.03 1 318 42 36 ILE HA H 4.107 0.03 1 319 42 36 ILE HB H 2.092 0.03 1 320 42 36 ILE HD1 H 0.409 0.03 1 321 42 36 ILE HG12 H 1.574 0.03 9 322 42 36 ILE HG13 H 0.547 0.03 9 323 42 36 ILE HG2 H 0.938 0.03 1 324 42 36 ILE CA C 62.362 0.30 1 325 42 36 ILE CB C 37.998 0.30 1 326 42 36 ILE CD1 C 14.649 0.30 1 327 42 36 ILE CG1 C 28.100 0.30 1 328 42 36 ILE CG2 C 18.964 0.30 1 329 42 36 ILE N N 126.526 0.30 1 330 43 37 ILE H H 9.137 0.03 1 331 43 37 ILE HA H 4.686 0.03 1 332 43 37 ILE HB H 1.885 0.03 1 333 43 37 ILE HD1 H 0.562 0.03 1 334 43 37 ILE HG12 H 0.835 0.03 1 335 43 37 ILE HG13 H 0.757 0.03 1 336 43 37 ILE HG2 H 0.733 0.03 1 337 43 37 ILE CA C 60.586 0.30 1 338 43 37 ILE CB C 39.521 0.30 1 339 43 37 ILE CD1 C 13.634 0.30 1 340 43 37 ILE CG1 C 26.094 0.30 1 341 43 37 ILE CG2 C 17.948 0.30 1 342 43 37 ILE N N 122.448 0.30 1 343 44 38 ASP H H 7.970 0.03 1 344 44 38 ASP HA H 4.767 0.03 1 345 44 38 ASP HB2 H 2.428 0.03 2 346 44 38 ASP HB3 H 2.653 0.03 2 347 44 38 ASP CA C 53.226 0.30 1 348 44 38 ASP CB C 43.581 0.30 1 349 44 38 ASP N N 119.461 0.30 1 350 45 39 GLN H H 9.702 0.03 1 351 45 39 GLN HA H 5.242 0.03 1 352 45 39 GLN HB2 H 2.069 0.03 2 353 45 39 GLN HB3 H 2.069 0.03 2 354 45 39 GLN HE21 H 6.746 0.03 2 355 45 39 GLN HE22 H 6.963 0.03 2 356 45 39 GLN HG2 H 2.234 0.03 2 357 45 39 GLN HG3 H 2.234 0.03 2 358 45 39 GLN CA C 55.763 0.30 1 359 45 39 GLN CB C 32.415 0.30 1 360 45 39 GLN CG C 32.400 0.30 1 361 45 39 GLN N N 118.819 0.30 1 362 45 39 GLN NE2 N 108.975 0.30 1 363 46 40 THR H H 8.734 0.03 1 364 46 40 THR HA H 4.698 0.03 1 365 46 40 THR HB H 4.530 0.03 1 366 46 40 THR HG2 H 0.997 0.03 1 367 46 40 THR CA C 59.952 0.30 1 368 46 40 THR CB C 70.700 0.30 1 369 46 40 THR CG2 C 21.500 0.30 1 370 46 40 THR N N 115.821 0.30 1 371 47 41 SER H H 8.616 0.03 1 372 47 41 SER HA H 4.139 0.03 1 373 47 41 SER HB2 H 3.876 0.03 2 374 47 41 SER HB3 H 3.876 0.03 2 375 47 41 SER CA C 61.127 0.30 1 376 47 41 SER CB C 62.856 0.30 1 377 47 41 SER N N 114.751 0.30 1 378 48 42 ASP H H 8.019 0.03 1 379 48 42 ASP HA H 4.718 0.03 1 380 48 42 ASP HB2 H 2.632 0.03 2 381 48 42 ASP HB3 H 2.632 0.03 2 382 48 42 ASP CA C 53.987 0.30 1 383 48 42 ASP CB C 42.820 0.30 1 384 48 42 ASP N N 116.464 0.30 1 385 49 43 GLN H H 7.456 0.03 1 386 49 43 GLN HA H 4.881 0.03 1 387 49 43 GLN HB2 H 1.912 0.03 2 388 49 43 GLN HB3 H 2.292 0.03 2 389 49 43 GLN HG2 H 2.119 0.03 2 390 49 43 GLN HG3 H 2.192 0.03 2 391 49 43 GLN CA C 55.002 0.30 1 392 49 43 GLN CB C 35.968 0.30 1 393 49 43 GLN CG C 34.699 0.30 1 394 49 43 GLN N N 115.393 0.30 1 395 50 44 TYR H H 8.970 0.03 1 396 50 44 TYR HA H 4.979 0.03 1 397 50 44 TYR HB2 H 2.453 0.03 2 398 50 44 TYR HB3 H 2.771 0.03 2 399 50 44 TYR HD1 H 6.900 0.03 3 400 50 44 TYR HE1 H 6.773 0.03 3 401 50 44 TYR CA C 57.286 0.30 1 402 50 44 TYR CB C 42.566 0.30 1 403 50 44 TYR CD1 C 133.137 0.30 3 404 50 44 TYR CE1 C 117.729 0.30 3 405 50 44 TYR N N 117.320 0.30 1 406 51 45 LEU H H 8.164 0.03 1 407 51 45 LEU HA H 3.731 0.03 1 408 51 45 LEU HB2 H 0.865 0.03 2 409 51 45 LEU HB3 H -1.470 0.03 2 410 51 45 LEU HD1 H -0.531 0.03 2 411 51 45 LEU HD2 H 0.399 0.03 2 412 51 45 LEU HG H 0.547 0.03 1 413 51 45 LEU CA C 53.733 0.30 1 414 51 45 LEU CB C 40.282 0.30 1 415 51 45 LEU CD1 C 19.729 0.30 1 416 51 45 LEU CD2 C 25.314 0.30 1 417 51 45 LEU CG C 25.816 0.30 1 418 51 45 LEU N N 127.597 0.30 1 419 52 46 ILE H H 8.380 0.03 1 420 52 46 ILE HA H 4.410 0.03 1 421 52 46 ILE HB H 1.700 0.03 1 422 52 46 ILE HD1 H 0.300 0.03 1 423 52 46 ILE HG12 H 1.041 0.03 9 424 52 46 ILE HG13 H 1.361 0.03 9 425 52 46 ILE HG2 H -0.194 0.03 1 426 52 46 ILE CA C 56.779 0.30 1 427 52 46 ILE CB C 37.744 0.30 1 428 52 46 ILE CD1 C 12.111 0.30 1 429 52 46 ILE CG1 C 27.593 0.30 1 430 52 46 ILE CG2 C 17.187 0.30 1 431 52 46 ILE N N 128.881 0.30 1 432 53 47 ARG H H 8.708 0.03 1 433 53 47 ARG HA H 5.069 0.03 1 434 53 47 ARG HB2 H 1.496 0.03 2 435 53 47 ARG HB3 H 1.590 0.03 2 436 53 47 ARG HD2 H 3.229 0.03 2 437 53 47 ARG HD3 H 3.134 0.03 2 438 53 47 ARG HG2 H 1.500 0.03 2 439 53 47 ARG HG3 H 1.775 0.03 2 440 53 47 ARG CA C 53.733 0.30 1 441 53 47 ARG CB C 32.922 0.30 1 442 53 47 ARG CD C 43.581 0.30 1 443 53 47 ARG CG C 26.822 0.30 1 444 53 47 ARG N N 125.241 0.30 1 445 54 48 PHE H H 8.979 0.03 1 446 54 48 PHE HA H 4.819 0.03 1 447 54 48 PHE HB2 H 3.023 0.03 2 448 54 48 PHE HB3 H 3.342 0.03 2 449 54 48 PHE HD1 H 7.224 0.03 3 450 54 48 PHE HE1 H 6.901 0.03 3 451 54 48 PHE HZ H 6.832 0.03 1 452 54 48 PHE CA C 58.048 0.30 1 453 54 48 PHE CB C 40.282 0.30 1 454 54 48 PHE CD1 C 131.900 0.30 3 455 54 48 PHE CE1 C 130.670 0.30 3 456 54 48 PHE CZ C 128.210 0.30 1 457 54 48 PHE N N 128.453 0.30 1 458 55 49 ASP H H 9.073 0.03 1 459 55 49 ASP HA H 4.367 0.03 1 460 55 49 ASP HB2 H 2.875 0.03 2 461 55 49 ASP HB3 H 2.754 0.03 2 462 55 49 ASP CA C 57.032 0.30 1 463 55 49 ASP CB C 40.790 0.30 1 464 55 49 ASP N N 121.602 0.30 1 465 56 50 ASP H H 7.857 0.03 1 466 56 50 ASP HA H 4.552 0.03 1 467 56 50 ASP HB2 H 2.615 0.03 2 468 56 50 ASP HB3 H 3.057 0.03 2 469 56 50 ASP CA C 53.226 0.30 1 470 56 50 ASP CB C 39.521 0.30 1 471 56 50 ASP N N 117.748 0.30 1 472 57 51 GLN H H 8.387 0.03 1 473 57 51 GLN HA H 3.757 0.03 1 474 57 51 GLN HB2 H 2.295 0.03 2 475 57 51 GLN HB3 H 2.545 0.03 2 476 57 51 GLN HE21 H 6.680 0.03 2 477 57 51 GLN HE22 H 7.349 0.03 2 478 57 51 GLN HG2 H 2.220 0.03 2 479 57 51 GLN HG3 H 2.337 0.03 2 480 57 51 GLN CA C 57.794 0.30 1 481 57 51 GLN CB C 26.324 0.30 1 482 57 51 GLN CG C 34.190 0.30 1 483 57 51 GLN N N 111.753 0.30 1 484 57 51 GLN NE2 N 113.573 0.30 1 485 58 52 SER H H 8.425 0.03 1 486 58 52 SER HA H 4.378 0.03 1 487 58 52 SER HB2 H 3.885 0.03 2 488 58 52 SER HB3 H 3.885 0.03 2 489 58 52 SER CA C 59.060 0.30 1 490 58 52 SER CB C 64.139 0.30 1 491 58 52 SER N N 118.250 0.30 1 492 59 53 GLU H H 8.276 0.03 1 493 59 53 GLU HA H 5.796 0.03 1 494 59 53 GLU HB2 H 1.649 0.03 2 495 59 53 GLU HB3 H 1.919 0.03 2 496 59 53 GLU HG2 H 1.899 0.03 2 497 59 53 GLU HG3 H 2.186 0.03 2 498 59 53 GLU CA C 54.000 0.30 1 499 59 53 GLU CB C 32.668 0.30 1 500 59 53 GLU CG C 35.968 0.30 1 501 59 53 GLU N N 118.819 0.30 1 502 60 54 GLN H H 8.806 0.03 1 503 60 54 GLN HA H 4.641 0.03 1 504 60 54 GLN HB2 H 1.923 0.03 2 505 60 54 GLN HB3 H 2.040 0.03 2 506 60 54 GLN HG2 H 2.311 0.03 2 507 60 54 GLN HG3 H 2.345 0.03 2 508 60 54 GLN CA C 54.748 0.30 1 509 60 54 GLN CB C 33.937 0.30 1 510 60 54 GLN CG C 34.191 0.30 1 511 60 54 GLN N N 120.317 0.30 1 512 61 55 TRP H H 9.013 0.03 1 513 61 55 TRP HA H 5.082 0.03 1 514 61 55 TRP HB2 H 3.033 0.03 2 515 61 55 TRP HB3 H 3.107 0.03 2 516 61 55 TRP HD1 H 7.280 0.03 1 517 61 55 TRP HE1 H 10.240 0.03 1 518 61 55 TRP HE3 H 7.141 0.03 1 519 61 55 TRP HH2 H 6.865 0.03 1 520 61 55 TRP HZ2 H 7.446 0.03 1 521 61 55 TRP HZ3 H 6.677 0.03 1 522 61 55 TRP CA C 57.286 0.30 1 523 61 55 TRP CB C 29.139 0.30 1 524 61 55 TRP CD1 C 127.590 0.30 1 525 61 55 TRP CE3 C 120.190 0.30 1 526 61 55 TRP CH2 C 123.890 0.30 1 527 61 55 TRP CZ2 C 115.260 0.30 1 528 61 55 TRP CZ3 C 122.040 0.30 1 529 61 55 TRP N N 127.597 0.30 1 530 61 55 TRP NE1 N 130.170 0.30 1 531 62 56 CYS H H 9.996 0.03 1 532 62 56 CYS HA H 4.953 0.03 1 533 62 56 CYS HB2 H 2.675 0.03 2 534 62 56 CYS HB3 H 2.735 0.03 2 535 62 56 CYS CA C 58.301 0.30 1 536 62 56 CYS CB C 32.161 0.30 1 537 62 56 CYS N N 121.388 0.30 1 538 63 57 GLU H H 8.945 0.03 1 539 63 57 GLU HA H 4.799 0.03 1 540 63 57 GLU HB2 H 2.394 0.03 2 541 63 57 GLU HB3 H 2.159 0.03 2 542 63 57 GLU HG2 H 2.570 0.03 2 543 63 57 GLU HG3 H 2.467 0.03 2 544 63 57 GLU CA C 55.256 0.30 1 545 63 57 GLU CB C 28.608 0.30 1 546 63 57 GLU CG C 36.983 0.30 1 547 63 57 GLU N N 123.743 0.30 1 548 64 58 PRO HA H 4.245 0.03 1 549 64 58 PRO HB2 H 2.273 0.03 2 550 64 58 PRO HB3 H 2.683 0.03 2 551 64 58 PRO HD2 H 3.997 0.03 2 552 64 58 PRO HD3 H 4.199 0.03 2 553 64 58 PRO HG2 H 2.118 0.03 2 554 64 58 PRO HG3 H 2.352 0.03 2 555 64 58 PRO CA C 65.408 0.30 1 556 64 58 PRO CB C 32.141 0.30 1 557 64 58 PRO CD C 50.688 0.30 1 558 64 58 PRO CG C 28.100 0.30 1 559 65 59 ASP H H 8.338 0.03 1 560 65 59 ASP HA H 4.538 0.03 1 561 65 59 ASP HB2 H 2.717 0.03 2 562 65 59 ASP HB3 H 2.849 0.03 2 563 65 59 ASP CA C 55.763 0.30 1 564 65 59 ASP CB C 39.775 0.30 1 565 65 59 ASP N N 113.680 0.30 1 566 66 60 LYS H H 7.916 0.03 1 567 66 60 LYS HA H 4.371 0.03 1 568 66 60 LYS HB2 H 1.960 0.03 2 569 66 60 LYS HB3 H 2.335 0.03 2 570 66 60 LYS HD2 H 1.723 0.03 2 571 66 60 LYS HD3 H 1.723 0.03 2 572 66 60 LYS HE2 H 3.095 0.03 2 573 66 60 LYS HE3 H 3.095 0.03 2 574 66 60 LYS HG2 H 1.606 0.03 2 575 66 60 LYS HG3 H 1.699 0.03 2 576 66 60 LYS CA C 55.763 0.30 1 577 66 60 LYS CB C 32.668 0.30 1 578 66 60 LYS CD C 28.354 0.30 1 579 66 60 LYS CE C 42.059 0.30 1 580 66 60 LYS CG C 25.562 0.30 1 581 66 60 LYS N N 118.176 0.30 1 582 67 61 LEU H H 7.355 0.03 1 583 67 61 LEU HA H 5.073 0.03 1 584 67 61 LEU HB2 H 0.906 0.03 2 585 67 61 LEU HB3 H 1.430 0.03 2 586 67 61 LEU HD1 H 0.151 0.03 2 587 67 61 LEU HD2 H -0.056 0.03 2 588 67 61 LEU HG H 1.348 0.03 1 589 67 61 LEU CA C 55.002 0.30 1 590 67 61 LEU CB C 43.835 0.30 1 591 67 61 LEU CD1 C 25.054 0.30 1 592 67 61 LEU CD2 C 24.801 0.30 1 593 67 61 LEU CG C 28.862 0.30 1 594 67 61 LEU N N 119.461 0.30 1 595 68 62 ARG H H 8.900 0.03 1 596 68 62 ARG HA H 4.711 0.03 1 597 68 62 ARG HB2 H 1.802 0.03 2 598 68 62 ARG HB3 H 1.701 0.03 2 599 68 62 ARG HD2 H 2.922 0.03 2 600 68 62 ARG HD3 H 3.160 0.03 2 601 68 62 ARG HG2 H 1.569 0.03 2 602 68 62 ARG HG3 H 1.675 0.03 2 603 68 62 ARG CA C 54.241 0.30 1 604 68 62 ARG CB C 33.937 0.30 1 605 68 62 ARG CD C 43.074 0.30 1 606 68 62 ARG CG C 26.831 0.30 1 607 68 62 ARG N N 119.889 0.30 1 608 69 63 LYS H H 8.398 0.03 1 609 69 63 LYS HA H 4.614 0.03 1 610 69 63 LYS HB2 H 1.810 0.03 2 611 69 63 LYS HB3 H 1.848 0.03 2 612 69 63 LYS HD2 H 1.820 0.03 2 613 69 63 LYS HD3 H 1.543 0.03 2 614 69 63 LYS HE2 H 2.644 0.03 2 615 69 63 LYS HE3 H 2.107 0.03 2 616 69 63 LYS HG2 H 1.477 0.03 2 617 69 63 LYS HG3 H 1.527 0.03 2 618 69 63 LYS CA C 55.002 0.30 1 619 69 63 LYS CB C 33.430 0.30 1 620 69 63 LYS CD C 28.868 0.30 1 621 69 63 LYS CE C 41.805 0.30 1 622 69 63 LYS CG C 24.801 0.30 1 623 69 63 LYS N N 122.244 0.30 1 624 70 64 LEU H H 8.596 0.03 1 625 70 64 LEU HA H 4.166 0.03 1 626 70 64 LEU HB2 H 1.490 0.03 2 627 70 64 LEU HB3 H 1.545 0.03 2 628 70 64 LEU HD1 H 0.476 0.03 2 629 70 64 LEU HD2 H 0.539 0.03 2 630 70 64 LEU HG H 1.508 0.03 1 631 70 64 LEU CA C 56.271 0.30 1 632 70 64 LEU CB C 42.059 0.30 1 633 70 64 LEU CD1 C 24.039 0.30 1 634 70 64 LEU CD2 C 24.801 0.30 1 635 70 64 LEU CG C 27.593 0.30 1 636 70 64 LEU N N 122.672 0.30 1 637 71 65 GLY H H 8.290 0.03 1 638 71 65 GLY HA2 H 3.889 0.03 2 639 71 65 GLY HA3 H 3.938 0.03 2 640 71 65 GLY CA C 45.273 0.30 1 641 71 65 GLY N N 108.114 0.30 1 642 72 66 GLY H H 8.316 0.03 1 643 72 66 GLY HA2 H 3.901 0.03 2 644 72 66 GLY HA3 H 3.974 0.03 2 645 72 66 GLY CA C 45.283 0.30 1 646 72 66 GLY N N 108.970 0.30 1 647 73 67 GLY H H 8.179 0.03 1 648 73 67 GLY HA2 H 3.941 0.03 2 649 73 67 GLY HA3 H 4.036 0.03 2 650 73 67 GLY CA C 45.153 0.30 1 651 73 67 GLY N N 108.756 0.30 1 652 74 68 SER H H 8.245 0.03 1 653 74 68 SER HA H 4.431 0.03 1 654 74 68 SER HB2 H 3.735 0.03 2 655 74 68 SER HB3 H 3.826 0.03 2 656 74 68 SER CA C 58.146 0.30 1 657 74 68 SER CB C 63.631 0.30 1 658 74 68 SER N N 115.821 0.30 1 659 75 69 SER H H 7.958 0.03 1 660 75 69 SER CA C 60.078 0.30 1 661 75 69 SER CB C 65.815 0.30 1 662 75 69 SER N N 123.101 0.30 1 stop_ save_