data_11463 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the bromodomain of human BRPF1 in complex with histone H4K5ac peptide ; _BMRB_accession_number 11463 _BMRB_flat_file_name bmr11463.str _Entry_type original _Submission_date 2011-12-08 _Accession_date 2011-12-08 _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 Qin 'X. R.' . . 2 Nagashima T. . . 3 Umehara T. . . 4 Hayashi F. . . 5 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 795 "13C chemical shifts" 550 "15N chemical shifts" 130 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-03-26 original author . stop_ _Original_release_date 2013-03-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Site-specific histone recognition by the bromodomain of Brpf1 and the role in MOZ/MORF histone acetyltransferase complexes' _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 Qin 'X. R.' . . 2 Hayashi F. . . 3 Yokoyama S. . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Bromodomain of human BRPF1 in complex with histone H4K5ac peptide' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label An_acetylated-lysine_5_of_histone_4_peptide $entity_1 Bromodomain $entity_2 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 An_acetylated-lysine_5_of_histone_4_peptide _Molecular_mass 960.099 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 10 _Mol_residue_sequence SGRGXGGKGL loop_ _Residue_seq_code _Residue_label 1 SER 2 GLY 3 ARG 4 GLY 5 ALY 6 GLY 7 GLY 8 LYS 9 GLY 10 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 EMBL P62805 'Histone 4' . . . . . stop_ save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Bromodomain _Molecular_mass 13777.645 _Mol_thiol_state 'all free' _Details . _Residue_count 121 _Mol_residue_sequence ; GSSGSSGFLILLRKTLEQLQ EKDTGNIFSEPVPLSEVPDY LDHIKKPMDFFTMKQNLEAY RYLNFDDFEEDFNLIVSNCL KYNAKDTIFYRAAVRLREQG GAVLRQARRQAEKMGSGPSS G ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 41 GLY 2 42 SER 3 43 SER 4 44 GLY 5 47 SER 6 48 SER 7 49 GLY 8 50 PHE 9 51 LEU 10 52 ILE 11 53 LEU 12 54 LEU 13 55 ARG 14 56 LYS 15 57 THR 16 58 LEU 17 59 GLU 18 60 GLN 19 61 LEU 20 62 GLN 21 63 GLU 22 64 LYS 23 65 ASP 24 66 THR 25 67 GLY 26 68 ASN 27 69 ILE 28 70 PHE 29 71 SER 30 72 GLU 31 73 PRO 32 74 VAL 33 75 PRO 34 76 LEU 35 77 SER 36 78 GLU 37 79 VAL 38 80 PRO 39 81 ASP 40 82 TYR 41 83 LEU 42 84 ASP 43 85 HIS 44 86 ILE 45 87 LYS 46 88 LYS 47 89 PRO 48 90 MET 49 91 ASP 50 92 PHE 51 93 PHE 52 94 THR 53 95 MET 54 96 LYS 55 97 GLN 56 98 ASN 57 99 LEU 58 100 GLU 59 101 ALA 60 102 TYR 61 103 ARG 62 104 TYR 63 105 LEU 64 106 ASN 65 107 PHE 66 108 ASP 67 109 ASP 68 110 PHE 69 111 GLU 70 112 GLU 71 113 ASP 72 114 PHE 73 115 ASN 74 116 LEU 75 117 ILE 76 118 VAL 77 119 SER 78 120 ASN 79 121 CYS 80 122 LEU 81 123 LYS 82 124 TYR 83 125 ASN 84 126 ALA 85 127 LYS 86 128 ASP 87 129 THR 88 130 ILE 89 131 PHE 90 132 TYR 91 133 ARG 92 134 ALA 93 135 ALA 94 136 VAL 95 137 ARG 96 138 LEU 97 139 ARG 98 140 GLU 99 141 GLN 100 142 GLY 101 143 GLY 102 144 ALA 103 145 VAL 104 146 LEU 105 147 ARG 106 148 GLN 107 149 ALA 108 150 ARG 109 151 ARG 110 152 GLN 111 153 ALA 112 154 GLU 113 155 LYS 114 156 MET 115 157 GLY 116 158 SER 117 159 GLY 118 160 PRO 119 161 SER 120 162 SER 121 163 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2D9E "Solution Structure Of The Bromodomain Of Peregrin" 100.00 121 100.00 100.00 5.88e-83 PDB 2RS9 "Solution Structure Of The Bromodomain Of Human Brpf1 In Complex With Histone H4k5ac Peptide" 100.00 121 100.00 100.00 5.88e-83 PDB 4LC2 "Crystal Structure Of The Bromodomain Of Human Brpf1b" 90.91 116 98.18 99.09 3.08e-73 PDB 4UYE "Bromodomain Of Human Brpf1 With N-1,3-dimethyl-2-oxo-6-( Piperidin-1-yl)-2,3-dihydro-1h-1,3-benzodiazol-5-yl-2- Methoxybenzamid" 89.26 118 98.15 99.07 2.69e-71 DBJ BAC31528 "unnamed protein product [Mus musculus]" 90.91 807 98.18 99.09 1.10e-67 DBJ BAE33691 "unnamed protein product [Mus musculus]" 89.26 1247 100.00 100.00 6.31e-67 DBJ BAG10583 "peregrin [synthetic construct]" 89.26 1214 100.00 100.00 5.56e-67 DBJ BAG57257 "unnamed protein product [Homo sapiens]" 89.26 1119 100.00 100.00 4.16e-67 EMBL CAD28495 "hypothetical protein [Homo sapiens]" 89.26 1213 100.00 100.00 5.16e-67 GB AAB02119 "Br140 [Homo sapiens]" 89.26 1214 99.07 100.00 1.49e-66 GB AAF19605 "putative 8-hydroxyguanine DNA glycosylase [Homo sapiens]" 89.26 1214 100.00 100.00 5.56e-67 GB AAH05647 "Brpf1 protein, partial [Mus musculus]" 89.26 706 100.00 100.00 1.18e-68 GB AAH46521 "Bromodomain and PHD finger containing, 1 [Mus musculus]" 89.26 1246 100.00 100.00 6.28e-67 GB AAI38362 "Brpf1 protein [Mus musculus]" 89.26 1212 100.00 100.00 6.39e-67 REF NP_001178501 "peregrin [Rattus norvegicus]" 89.26 1246 100.00 100.00 5.92e-67 REF NP_001269055 "peregrin isoform 1 [Mus musculus]" 89.26 1247 100.00 100.00 6.31e-67 REF NP_001269056 "peregrin isoform 3 [Mus musculus]" 89.26 1212 100.00 100.00 6.39e-67 REF NP_004625 "peregrin isoform 2 [Homo sapiens]" 89.26 1214 100.00 100.00 5.56e-67 REF NP_084454 "peregrin isoform 2 [Mus musculus]" 89.26 1246 100.00 100.00 6.28e-67 SP P55201 "RecName: Full=Peregrin; AltName: Full=Bromodomain and PHD finger-containing protein 1; AltName: Full=Protein Br140 [Homo sapien" 89.26 1214 100.00 100.00 5.56e-67 TPG DAA17219 "TPA: bromodomain and PHD finger containing, 1-like isoform 2 [Bos taurus]" 89.26 1213 100.00 100.00 5.59e-67 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_ALY _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common N(6)-ACETYLLYSINE _BMRB_code . _PDB_code ALY _Standard_residue_derivative . _Molecular_mass 188.224 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jan 24 00:11:09 2012 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons OH OH O . 0 . ? CH CH C . 0 . ? CH3 CH3 C . 0 . ? NZ NZ N . 0 . ? CE CE C . 0 . ? CD CD C . 0 . ? CG CG C . 0 . ? CB CB C . 0 . ? CA CA C . 0 . ? N N N . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? HH31 HH31 H . 0 . ? HH32 HH32 H . 0 . ? HH33 HH33 H . 0 . ? HZ HZ H . 0 . ? HE3 HE3 H . 0 . ? HE2 HE2 H . 0 . ? HD3 HD3 H . 0 . ? HD2 HD2 H . 0 . ? HG3 HG3 H . 0 . ? HG2 HG2 H . 0 . ? HB3 HB3 H . 0 . ? HB2 HB2 H . 0 . ? HCA HCA H . 0 . ? H H H . 0 . ? H2 H2 H . 0 . ? HXT HXT 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 DOUB OH CH ? ? SING CH CH3 ? ? SING CH NZ ? ? SING CH3 HH31 ? ? SING CH3 HH32 ? ? SING CH3 HH33 ? ? SING NZ CE ? ? SING NZ HZ ? ? SING CE CD ? ? SING CE HE3 ? ? SING CE HE2 ? ? SING CD CG ? ? SING CD HD3 ? ? SING CD HD2 ? ? SING CG CB ? ? SING CG HG3 ? ? SING CG HG2 ? ? SING CB CA ? ? SING CB HB3 ? ? SING CB HB2 ? ? SING CA N ? ? SING CA C ? ? SING CA HCA ? ? SING N H ? ? SING N H2 ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? 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_1 Human 9606 Eukaryota Metazoa Homo sapiens $entity_2 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_1 'chemical synthesis' 'E. coli' Escherichia coli . . $entity_2 'cell free synthesis' 'E. coli' Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '50mM Phosphorate Buffer(pH 6.5); 50mMNaCl; 5mM d-DTT; 0.02% NaN3' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.5 mM 'natural abundance' $entity_2 0.54 mM '[U-99% 13C; U-99% 15N]' H2O 90 % . D2O 10 % . 'sodium phosphate' 50 mM 'natural abundance' NaCl 50 mM 'natural abundance' d-DTT 5 mM 'natural abundance' NaN3 0.02 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20100701 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 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task processing stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9905 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 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 5 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 Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_13C-edited_(F1)_3 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited (F1)' _Sample_label $sample_1 save_ save_13C/15N-filtered_(F3)_3D_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '13C/15N-filtered (F3) 3D NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '50mM Phosphorate Buffer(pH 6.5); 50mMNaCl; 5mM d-DTT; 0.02% NaN3' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 6.5 . pH pressure 1 . atm temperature 288 . 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 water H 1 protons ppm 4.89 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' '13C-edited (F1)' '13C/15N-filtered (F3) 3D NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name An_acetylated-lysine_5_of_histone_4_peptide _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 1 1 SER HB2 H 3.706 0.030 1 2 1 1 SER HB3 H 3.706 0.030 1 3 3 3 ARG H H 8.313 0.030 1 4 3 3 ARG HA H 4.295 0.030 1 5 3 3 ARG HB2 H 1.908 0.030 2 6 3 3 ARG HB3 H 1.765 0.030 2 7 3 3 ARG HG2 H 1.646 0.030 2 8 3 3 ARG HG3 H 1.616 0.030 2 9 3 3 ARG HD2 H 3.184 0.030 1 10 3 3 ARG HD3 H 3.184 0.030 1 11 3 3 ARG HE H 7.281 0.030 1 12 4 4 GLY HA2 H 3.863 0.030 2 13 5 5 ALY H H 7.905 0.030 1 14 5 5 ALY HCA H 4.292 0.030 1 15 5 5 ALY HB2 H 1.805 0.030 2 16 5 5 ALY HB3 H 1.684 0.030 2 17 5 5 ALY HD2 H 1.447 0.030 2 18 5 5 ALY HD3 H 1.488 0.030 2 19 5 5 ALY HE2 H 3.080 0.030 1 20 5 5 ALY HE3 H 3.080 0.030 1 21 5 5 ALY HG2 H 1.344 0.030 2 22 5 5 ALY HG3 H 1.220 0.030 2 23 6 6 GLY H H 8.663 0.030 1 24 6 6 GLY HA2 H 3.924 0.030 1 25 6 6 GLY HA3 H 3.924 0.030 1 26 7 7 GLY H H 8.355 0.030 1 27 7 7 GLY HA2 H 3.962 0.030 1 28 7 7 GLY HA3 H 3.962 0.030 1 29 8 8 LYS H H 8.316 0.030 1 30 8 8 LYS HA H 4.312 0.030 1 31 8 8 LYS HB2 H 1.850 0.030 2 32 8 8 LYS HB3 H 1.756 0.030 2 33 8 8 LYS HG2 H 1.398 0.030 2 34 8 8 LYS HG3 H 1.259 0.030 2 35 8 8 LYS HD2 H 1.650 0.030 1 36 8 8 LYS HD3 H 1.650 0.030 1 37 8 8 LYS HE2 H 2.967 0.030 1 38 8 8 LYS HE3 H 2.967 0.030 1 39 9 9 GLY H H 8.561 0.030 1 40 9 9 GLY HA2 H 3.895 0.030 1 41 9 9 GLY HA3 H 3.895 0.030 1 42 10 10 LEU H H 7.824 0.030 1 43 10 10 LEU HA H 4.155 0.030 1 44 10 10 LEU HB2 H 1.565 0.030 2 45 10 10 LEU HB3 H 1.528 0.030 2 46 10 10 LEU HG H 1.539 0.030 1 47 10 10 LEU HD1 H 0.813 0.030 1 48 10 10 LEU HD2 H 0.856 0.030 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' '13C-edited (F1)' '13C/15N-filtered (F3) 3D NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Bromodomain _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 43 3 SER H H 8.621 0.030 1 2 43 3 SER HA H 4.421 0.030 1 3 43 3 SER HB2 H 3.856 0.030 1 4 43 3 SER HB3 H 3.856 0.030 1 5 43 3 SER C C 175.164 0.300 1 6 43 3 SER CA C 58.614 0.300 1 7 43 3 SER CB C 63.673 0.300 1 8 43 3 SER N N 118.303 0.300 1 9 44 4 GLY H H 8.499 0.030 1 10 44 4 GLY HA2 H 3.998 0.030 1 11 44 4 GLY HA3 H 3.998 0.030 1 12 44 4 GLY C C 174.488 0.300 1 13 44 4 GLY CA C 45.418 0.300 1 14 44 4 GLY N N 110.728 0.300 1 15 45 5 SER H H 8.379 0.030 1 16 45 5 SER HA H 4.556 0.030 1 17 45 5 SER HB2 H 3.920 0.030 2 18 45 5 SER HB3 H 3.978 0.030 2 19 45 5 SER C C 175.285 0.300 1 20 45 5 SER CA C 58.535 0.300 1 21 45 5 SER CB C 63.732 0.300 1 22 45 5 SER N N 116.096 0.300 1 23 46 6 SER H H 8.597 0.030 1 24 46 6 SER HA H 4.431 0.030 1 25 46 6 SER HB2 H 4.084 0.030 2 26 46 6 SER HB3 H 4.002 0.030 2 27 46 6 SER C C 175.992 0.300 1 28 46 6 SER CA C 59.611 0.300 1 29 46 6 SER CB C 63.267 0.300 1 30 46 6 SER N N 119.036 0.300 1 31 47 7 GLY H H 8.722 0.030 1 32 47 7 GLY HA2 H 3.837 0.030 2 33 47 7 GLY HA3 H 3.965 0.030 2 34 47 7 GLY C C 176.177 0.300 1 35 47 7 GLY CA C 46.871 0.300 1 36 47 7 GLY N N 110.179 0.300 1 37 48 8 PHE H H 8.328 0.030 1 38 48 8 PHE HA H 4.220 0.030 1 39 48 8 PHE HB2 H 3.295 0.030 2 40 48 8 PHE HB3 H 2.995 0.030 2 41 48 8 PHE HD1 H 7.203 0.030 1 42 48 8 PHE HD2 H 7.203 0.030 1 43 48 8 PHE HE1 H 7.120 0.030 1 44 48 8 PHE HE2 H 7.120 0.030 1 45 48 8 PHE HZ H 6.603 0.030 1 46 48 8 PHE C C 175.904 0.300 1 47 48 8 PHE CA C 61.403 0.300 1 48 48 8 PHE CB C 39.323 0.300 1 49 48 8 PHE CD1 C 131.379 0.300 1 50 48 8 PHE CD2 C 131.379 0.300 1 51 48 8 PHE CE1 C 130.646 0.300 1 52 48 8 PHE CE2 C 130.646 0.300 1 53 48 8 PHE CZ C 128.144 0.300 1 54 48 8 PHE N N 124.168 0.300 1 55 49 9 LEU H H 7.892 0.030 1 56 49 9 LEU HA H 3.715 0.030 1 57 49 9 LEU HB2 H 1.765 0.030 2 58 49 9 LEU HB3 H 1.595 0.030 2 59 49 9 LEU HG H 1.636 0.030 1 60 49 9 LEU HD1 H 0.867 0.030 1 61 49 9 LEU HD2 H 0.852 0.030 1 62 49 9 LEU C C 179.222 0.300 1 63 49 9 LEU CA C 58.273 0.300 1 64 49 9 LEU CB C 41.256 0.300 1 65 49 9 LEU CG C 27.463 0.300 1 66 49 9 LEU CD1 C 24.240 0.300 2 67 49 9 LEU CD2 C 24.811 0.300 2 68 49 9 LEU N N 119.797 0.300 1 69 50 10 ILE H H 7.820 0.030 1 70 50 10 ILE HA H 3.481 0.030 1 71 50 10 ILE HB H 1.807 0.030 1 72 50 10 ILE HG12 H 1.680 0.030 2 73 50 10 ILE HG13 H 1.081 0.030 2 74 50 10 ILE HG2 H 0.866 0.030 1 75 50 10 ILE HD1 H 0.803 0.030 1 76 50 10 ILE C C 178.304 0.300 1 77 50 10 ILE CA C 65.364 0.300 1 78 50 10 ILE CB C 37.938 0.300 1 79 50 10 ILE CG1 C 29.514 0.300 1 80 50 10 ILE CG2 C 16.892 0.300 1 81 50 10 ILE CD1 C 13.183 0.300 1 82 50 10 ILE N N 118.651 0.300 1 83 51 11 LEU H H 7.597 0.030 1 84 51 11 LEU HA H 4.130 0.030 1 85 51 11 LEU HB2 H 1.990 0.030 2 86 51 11 LEU HB3 H 1.463 0.030 2 87 51 11 LEU HG H 1.176 0.030 1 88 51 11 LEU HD1 H 0.869 0.030 1 89 51 11 LEU HD2 H 0.833 0.030 1 90 51 11 LEU C C 181.004 0.300 1 91 51 11 LEU CA C 57.718 0.300 1 92 51 11 LEU CB C 40.860 0.300 1 93 51 11 LEU CG C 27.905 0.300 1 94 51 11 LEU CD1 C 25.908 0.300 2 95 51 11 LEU CD2 C 23.168 0.300 2 96 51 11 LEU N N 121.213 0.300 1 97 52 12 LEU H H 8.359 0.030 1 98 52 12 LEU HA H 3.144 0.030 1 99 52 12 LEU HB2 H 1.541 0.030 2 100 52 12 LEU HB3 H 0.628 0.030 2 101 52 12 LEU HG H 0.572 0.030 1 102 52 12 LEU HD1 H 0.256 0.030 1 103 52 12 LEU HD2 H -0.534 0.030 1 104 52 12 LEU C C 178.207 0.300 1 105 52 12 LEU CA C 58.083 0.300 1 106 52 12 LEU CB C 40.655 0.300 1 107 52 12 LEU CG C 24.855 0.300 1 108 52 12 LEU CD1 C 26.360 0.300 2 109 52 12 LEU CD2 C 20.502 0.300 2 110 52 12 LEU N N 122.592 0.300 1 111 53 13 ARG H H 8.522 0.030 1 112 53 13 ARG HA H 3.738 0.030 1 113 53 13 ARG HB2 H 1.843 0.030 1 114 53 13 ARG HB3 H 1.843 0.030 1 115 53 13 ARG HG2 H 1.710 0.030 2 116 53 13 ARG HG3 H 1.481 0.030 2 117 53 13 ARG HD2 H 3.088 0.030 2 118 53 13 ARG HD3 H 3.028 0.030 2 119 53 13 ARG HE H 8.798 0.030 1 120 53 13 ARG C C 179.380 0.300 1 121 53 13 ARG CA C 60.078 0.300 1 122 53 13 ARG CB C 30.428 0.300 1 123 53 13 ARG CG C 28.877 0.300 1 124 53 13 ARG CD C 43.577 0.300 1 125 53 13 ARG N N 119.919 0.300 1 126 53 13 ARG NE N 86.240 0.300 1 127 54 14 LYS H H 8.004 0.030 1 128 54 14 LYS HA H 4.043 0.030 1 129 54 14 LYS HB2 H 1.849 0.030 1 130 54 14 LYS HB3 H 1.849 0.030 1 131 54 14 LYS HG2 H 1.421 0.030 1 132 54 14 LYS HG3 H 1.421 0.030 1 133 54 14 LYS HD2 H 1.621 0.030 2 134 54 14 LYS HD3 H 1.583 0.030 2 135 54 14 LYS HE2 H 2.836 0.030 1 136 54 14 LYS HE3 H 2.836 0.030 1 137 54 14 LYS C C 178.787 0.300 1 138 54 14 LYS CA C 58.332 0.300 1 139 54 14 LYS CB C 31.816 0.300 1 140 54 14 LYS CG C 24.498 0.300 1 141 54 14 LYS CD C 28.514 0.300 1 142 54 14 LYS CE C 41.873 0.300 1 143 54 14 LYS N N 119.218 0.300 1 144 55 15 THR H H 8.253 0.030 1 145 55 15 THR HA H 3.809 0.030 1 146 55 15 THR HB H 4.029 0.030 1 147 55 15 THR HG2 H 1.077 0.030 1 148 55 15 THR C C 175.714 0.300 1 149 55 15 THR CA C 66.858 0.300 1 150 55 15 THR CB C 67.643 0.300 1 151 55 15 THR CG2 C 21.821 0.300 1 152 55 15 THR N N 117.148 0.300 1 153 56 16 LEU H H 8.836 0.030 1 154 56 16 LEU HA H 4.054 0.030 1 155 56 16 LEU HB2 H 2.127 0.030 2 156 56 16 LEU HB3 H 1.646 0.030 2 157 56 16 LEU HG H 1.782 0.030 1 158 56 16 LEU HD1 H 1.132 0.030 1 159 56 16 LEU HD2 H 1.058 0.030 1 160 56 16 LEU C C 178.070 0.300 1 161 56 16 LEU CA C 58.511 0.300 1 162 56 16 LEU CB C 41.411 0.300 1 163 56 16 LEU CG C 27.075 0.300 1 164 56 16 LEU CD1 C 24.867 0.300 2 165 56 16 LEU CD2 C 26.560 0.300 2 166 56 16 LEU N N 122.945 0.300 1 167 57 17 GLU H H 7.734 0.030 1 168 57 17 GLU HA H 3.994 0.030 1 169 57 17 GLU HB2 H 2.196 0.030 2 170 57 17 GLU HB3 H 2.031 0.030 2 171 57 17 GLU HG2 H 2.423 0.030 2 172 57 17 GLU HG3 H 2.168 0.030 2 173 57 17 GLU C C 179.811 0.300 1 174 57 17 GLU CA C 59.449 0.300 1 175 57 17 GLU CB C 29.250 0.300 1 176 57 17 GLU CG C 36.394 0.300 1 177 57 17 GLU N N 118.117 0.300 1 178 58 18 GLN H H 7.958 0.030 1 179 58 18 GLN HA H 3.962 0.030 1 180 58 18 GLN HB2 H 2.386 0.030 2 181 58 18 GLN HB3 H 1.869 0.030 2 182 58 18 GLN HG2 H 2.603 0.030 2 183 58 18 GLN HG3 H 2.307 0.030 2 184 58 18 GLN HE21 H 7.393 0.030 2 185 58 18 GLN HE22 H 6.735 0.030 2 186 58 18 GLN C C 179.341 0.300 1 187 58 18 GLN CA C 58.774 0.300 1 188 58 18 GLN CB C 29.848 0.300 1 189 58 18 GLN CG C 34.763 0.300 1 190 58 18 GLN N N 118.642 0.300 1 191 58 18 GLN NE2 N 111.228 0.300 1 192 59 19 LEU H H 8.293 0.030 1 193 59 19 LEU HA H 3.876 0.030 1 194 59 19 LEU HB2 H 1.954 0.030 2 195 59 19 LEU HB3 H 1.212 0.030 2 196 59 19 LEU HG H 1.859 0.030 1 197 59 19 LEU HD1 H 0.338 0.030 1 198 59 19 LEU HD2 H 0.528 0.030 1 199 59 19 LEU C C 178.412 0.300 1 200 59 19 LEU CA C 57.647 0.300 1 201 59 19 LEU CB C 42.191 0.300 1 202 59 19 LEU CG C 25.726 0.300 1 203 59 19 LEU CD1 C 22.840 0.300 2 204 59 19 LEU CD2 C 25.142 0.300 2 205 59 19 LEU N N 119.890 0.300 1 206 60 20 GLN H H 8.166 0.030 1 207 60 20 GLN HA H 3.361 0.030 1 208 60 20 GLN HB2 H 1.814 0.030 2 209 60 20 GLN HB3 H 1.526 0.030 2 210 60 20 GLN HG2 H 2.034 0.030 2 211 60 20 GLN HG3 H 1.720 0.030 2 212 60 20 GLN HE21 H 7.047 0.030 2 213 60 20 GLN HE22 H 7.671 0.030 2 214 60 20 GLN C C 179.764 0.300 1 215 60 20 GLN CA C 59.371 0.300 1 216 60 20 GLN CB C 27.974 0.300 1 217 60 20 GLN CG C 34.581 0.300 1 218 60 20 GLN N N 117.350 0.300 1 219 60 20 GLN NE2 N 111.184 0.300 1 220 61 21 GLU H H 7.755 0.030 1 221 61 21 GLU HA H 3.930 0.030 1 222 61 21 GLU HB2 H 2.110 0.030 2 223 61 21 GLU HB3 H 2.024 0.030 2 224 61 21 GLU HG2 H 2.414 0.030 2 225 61 21 GLU HG3 H 2.238 0.030 2 226 61 21 GLU C C 178.458 0.300 1 227 61 21 GLU CA C 58.354 0.300 1 228 61 21 GLU CB C 29.527 0.300 1 229 61 21 GLU CG C 36.366 0.300 1 230 61 21 GLU N N 119.157 0.300 1 231 62 22 LYS H H 7.408 0.030 1 232 62 22 LYS HA H 4.291 0.030 1 233 62 22 LYS HB2 H 2.230 0.030 2 234 62 22 LYS HB3 H 2.012 0.030 2 235 62 22 LYS HG2 H 2.021 0.030 2 236 62 22 LYS HG3 H 1.087 0.030 2 237 62 22 LYS HD2 H 1.549 0.030 1 238 62 22 LYS HD3 H 1.549 0.030 1 239 62 22 LYS HE2 H 2.880 0.030 2 240 62 22 LYS HE3 H 2.820 0.030 2 241 62 22 LYS C C 177.678 0.300 1 242 62 22 LYS CA C 54.770 0.300 1 243 62 22 LYS CB C 30.374 0.300 1 244 62 22 LYS CG C 23.641 0.300 1 245 62 22 LYS CD C 26.993 0.300 1 246 62 22 LYS CE C 42.196 0.300 1 247 62 22 LYS N N 113.131 0.300 1 248 63 23 ASP H H 7.722 0.030 1 249 63 23 ASP HA H 5.116 0.030 1 250 63 23 ASP HB2 H 3.534 0.030 2 251 63 23 ASP HB3 H 2.695 0.030 2 252 63 23 ASP C C 177.100 0.300 1 253 63 23 ASP CA C 51.879 0.300 1 254 63 23 ASP CB C 40.201 0.300 1 255 63 23 ASP N N 121.302 0.300 1 256 64 24 THR H H 7.901 0.030 1 257 64 24 THR HA H 4.047 0.030 1 258 64 24 THR HB H 4.253 0.030 1 259 64 24 THR HG2 H 1.331 0.030 1 260 64 24 THR C C 176.486 0.300 1 261 64 24 THR CA C 64.294 0.300 1 262 64 24 THR CB C 68.305 0.300 1 263 64 24 THR CG2 C 22.351 0.300 1 264 64 24 THR N N 116.762 0.300 1 265 65 25 GLY H H 8.810 0.030 1 266 65 25 GLY HA2 H 4.204 0.030 2 267 65 25 GLY HA3 H 3.510 0.030 2 268 65 25 GLY C C 173.169 0.300 1 269 65 25 GLY CA C 44.703 0.300 1 270 65 25 GLY N N 108.942 0.300 1 271 66 26 ASN H H 8.092 0.030 1 272 66 26 ASN HA H 4.409 0.030 1 273 66 26 ASN HB2 H 3.070 0.030 2 274 66 26 ASN HB3 H 2.806 0.030 2 275 66 26 ASN HD21 H 7.543 0.030 2 276 66 26 ASN HD22 H 6.828 0.030 2 277 66 26 ASN C C 175.491 0.300 1 278 66 26 ASN CA C 54.664 0.300 1 279 66 26 ASN CB C 36.841 0.300 1 280 66 26 ASN N N 118.398 0.300 1 281 66 26 ASN ND2 N 113.116 0.300 1 282 67 27 ILE H H 9.513 0.030 1 283 67 27 ILE HA H 3.647 0.030 1 284 67 27 ILE HB H 1.162 0.030 1 285 67 27 ILE HG12 H 0.932 0.030 2 286 67 27 ILE HG13 H 1.040 0.030 2 287 67 27 ILE HG2 H 0.076 0.030 1 288 67 27 ILE HD1 H 0.542 0.030 1 289 67 27 ILE C C 178.363 0.300 1 290 67 27 ILE CA C 62.656 0.300 1 291 67 27 ILE CB C 38.739 0.300 1 292 67 27 ILE CG1 C 28.598 0.300 1 293 67 27 ILE CG2 C 17.665 0.300 1 294 67 27 ILE CD1 C 11.865 0.300 1 295 67 27 ILE N N 121.799 0.300 1 296 68 28 PHE H H 10.212 0.030 1 297 68 28 PHE HA H 4.883 0.030 1 298 68 28 PHE HB2 H 3.054 0.030 2 299 68 28 PHE HB3 H 2.648 0.030 2 300 68 28 PHE HD1 H 7.188 0.030 1 301 68 28 PHE HD2 H 7.188 0.030 1 302 68 28 PHE HE1 H 7.153 0.030 1 303 68 28 PHE HE2 H 7.153 0.030 1 304 68 28 PHE HZ H 7.203 0.030 1 305 68 28 PHE C C 175.108 0.300 1 306 68 28 PHE CA C 57.232 0.300 1 307 68 28 PHE CB C 39.073 0.300 1 308 68 28 PHE CD1 C 132.865 0.300 1 309 68 28 PHE CD2 C 132.865 0.300 1 310 68 28 PHE CE1 C 130.462 0.300 1 311 68 28 PHE CE2 C 130.462 0.300 1 312 68 28 PHE CZ C 128.478 0.300 1 313 68 28 PHE N N 121.673 0.300 1 314 69 29 SER H H 7.299 0.030 1 315 69 29 SER HA H 4.416 0.030 1 316 69 29 SER HB2 H 3.938 0.030 2 317 69 29 SER HB3 H 4.116 0.030 2 318 69 29 SER C C 173.281 0.300 1 319 69 29 SER CA C 61.897 0.300 1 320 69 29 SER CB C 64.074 0.300 1 321 69 29 SER N N 114.539 0.300 1 322 70 30 GLU H H 8.111 0.030 1 323 70 30 GLU HA H 4.867 0.030 1 324 70 30 GLU HB2 H 1.916 0.030 2 325 70 30 GLU HB3 H 1.571 0.030 2 326 70 30 GLU HG2 H 2.096 0.030 2 327 70 30 GLU HG3 H 2.035 0.030 2 328 70 30 GLU C C 173.919 0.300 1 329 70 30 GLU CA C 53.892 0.300 1 330 70 30 GLU CB C 30.880 0.300 1 331 70 30 GLU CG C 36.124 0.300 1 332 70 30 GLU N N 118.062 0.300 1 333 71 31 PRO HA H 4.157 0.030 1 334 71 31 PRO HB2 H 2.181 0.030 2 335 71 31 PRO HB3 H 1.463 0.030 2 336 71 31 PRO HG2 H 2.123 0.030 2 337 71 31 PRO HG3 H 1.884 0.030 2 338 71 31 PRO HD2 H 3.622 0.030 2 339 71 31 PRO HD3 H 3.393 0.030 2 340 71 31 PRO C C 177.430 0.300 1 341 71 31 PRO CA C 62.625 0.300 1 342 71 31 PRO CB C 31.795 0.300 1 343 71 31 PRO CG C 26.936 0.300 1 344 71 31 PRO CD C 50.383 0.300 1 345 72 32 VAL H H 8.560 0.030 1 346 72 32 VAL HA H 3.673 0.030 1 347 72 32 VAL HB H 0.974 0.030 1 348 72 32 VAL HG1 H -0.187 0.030 1 349 72 32 VAL HG2 H 0.580 0.030 1 350 72 32 VAL C C 175.398 0.300 1 351 72 32 VAL CA C 61.404 0.300 1 352 72 32 VAL CB C 32.372 0.300 1 353 72 32 VAL CG1 C 19.216 0.300 2 354 72 32 VAL CG2 C 21.428 0.300 2 355 72 32 VAL N N 127.936 0.300 1 356 73 33 PRO HA H 4.383 0.030 1 357 73 33 PRO HB2 H 1.987 0.030 2 358 73 33 PRO HB3 H 1.878 0.030 2 359 73 33 PRO HG2 H 2.085 0.030 2 360 73 33 PRO HG3 H 1.888 0.030 2 361 73 33 PRO HD2 H 3.748 0.030 2 362 73 33 PRO HD3 H 3.378 0.030 2 363 73 33 PRO C C 177.170 0.300 1 364 73 33 PRO CA C 61.422 0.300 1 365 73 33 PRO CB C 30.792 0.300 1 366 73 33 PRO CG C 27.730 0.300 1 367 73 33 PRO CD C 50.946 0.300 1 368 74 34 LEU H H 8.200 0.030 1 369 74 34 LEU HA H 3.792 0.030 1 370 74 34 LEU HB2 H 1.668 0.030 2 371 74 34 LEU HB3 H 1.480 0.030 2 372 74 34 LEU HG H 1.793 0.030 1 373 74 34 LEU HD1 H 0.985 0.030 1 374 74 34 LEU HD2 H 0.853 0.030 1 375 74 34 LEU C C 179.183 0.300 1 376 74 34 LEU CA C 56.810 0.300 1 377 74 34 LEU CB C 40.483 0.300 1 378 74 34 LEU CG C 26.878 0.300 1 379 74 34 LEU CD1 C 25.509 0.300 2 380 74 34 LEU CD2 C 22.744 0.300 2 381 74 34 LEU N N 129.002 0.300 1 382 75 35 SER H H 8.339 0.030 1 383 75 35 SER HA H 4.014 0.030 1 384 75 35 SER HB2 H 3.855 0.030 2 385 75 35 SER HB3 H 3.784 0.030 2 386 75 35 SER C C 175.736 0.300 1 387 75 35 SER CA C 60.328 0.300 1 388 75 35 SER CB C 61.974 0.300 1 389 75 35 SER N N 111.494 0.300 1 390 76 36 GLU H H 7.077 0.030 1 391 76 36 GLU HA H 4.371 0.030 1 392 76 36 GLU HB2 H 2.185 0.030 2 393 76 36 GLU HB3 H 1.873 0.030 2 394 76 36 GLU HG2 H 2.218 0.030 2 395 76 36 GLU HG3 H 2.177 0.030 2 396 76 36 GLU C C 176.132 0.300 1 397 76 36 GLU CA C 56.179 0.300 1 398 76 36 GLU CB C 31.101 0.300 1 399 76 36 GLU CG C 36.220 0.300 1 400 76 36 GLU N N 118.417 0.300 1 401 77 37 VAL H H 7.374 0.030 1 402 77 37 VAL HA H 4.537 0.030 1 403 77 37 VAL HB H 1.836 0.030 1 404 77 37 VAL HG1 H 0.772 0.030 1 405 77 37 VAL HG2 H 0.605 0.030 1 406 77 37 VAL C C 173.594 0.300 1 407 77 37 VAL CA C 58.762 0.300 1 408 77 37 VAL CB C 30.682 0.300 1 409 77 37 VAL CG1 C 24.152 0.300 2 410 77 37 VAL CG2 C 20.371 0.300 2 411 77 37 VAL N N 119.630 0.300 1 412 78 38 PRO HA H 4.593 0.030 1 413 78 38 PRO HB2 H 2.318 0.030 2 414 78 38 PRO HB3 H 1.990 0.030 2 415 78 38 PRO HG2 H 1.913 0.030 1 416 78 38 PRO HG3 H 1.913 0.030 1 417 78 38 PRO HD2 H 3.762 0.030 2 418 78 38 PRO HD3 H 3.229 0.030 2 419 78 38 PRO C C 177.472 0.300 1 420 78 38 PRO CA C 65.095 0.300 1 421 78 38 PRO CB C 31.846 0.300 1 422 78 38 PRO CG C 27.270 0.300 1 423 78 38 PRO CD C 50.467 0.300 1 424 79 39 ASP H H 8.158 0.030 1 425 79 39 ASP HA H 4.807 0.030 1 426 79 39 ASP HB2 H 3.345 0.030 2 427 79 39 ASP HB3 H 2.701 0.030 2 428 79 39 ASP C C 178.512 0.300 1 429 79 39 ASP CA C 52.571 0.300 1 430 79 39 ASP CB C 40.571 0.300 1 431 79 39 ASP N N 116.194 0.300 1 432 80 40 TYR H H 8.108 0.030 1 433 80 40 TYR HA H 3.799 0.030 1 434 80 40 TYR HB2 H 3.021 0.030 2 435 80 40 TYR HB3 H 2.632 0.030 2 436 80 40 TYR HD1 H 6.179 0.030 1 437 80 40 TYR HD2 H 6.179 0.030 1 438 80 40 TYR HE1 H 6.106 0.030 1 439 80 40 TYR HE2 H 6.106 0.030 1 440 80 40 TYR C C 178.392 0.300 1 441 80 40 TYR CA C 63.595 0.300 1 442 80 40 TYR CB C 38.988 0.300 1 443 80 40 TYR CD1 C 131.769 0.300 1 444 80 40 TYR CD2 C 131.769 0.300 1 445 80 40 TYR CE1 C 116.955 0.300 1 446 80 40 TYR CE2 C 116.955 0.300 1 447 80 40 TYR N N 123.851 0.300 1 448 81 41 LEU H H 8.219 0.030 1 449 81 41 LEU HA H 4.547 0.030 1 450 81 41 LEU HB2 H 1.797 0.030 2 451 81 41 LEU HB3 H 1.661 0.030 2 452 81 41 LEU HG H 1.848 0.030 1 453 81 41 LEU HD1 H 0.953 0.030 1 454 81 41 LEU HD2 H 0.865 0.030 1 455 81 41 LEU C C 177.895 0.300 1 456 81 41 LEU CA C 55.252 0.300 1 457 81 41 LEU CB C 39.602 0.300 1 458 81 41 LEU CG C 26.703 0.300 1 459 81 41 LEU CD1 C 25.629 0.300 2 460 81 41 LEU CD2 C 21.734 0.300 2 461 81 41 LEU N N 113.531 0.300 1 462 82 42 ASP H H 7.496 0.030 1 463 82 42 ASP HA H 4.266 0.030 1 464 82 42 ASP HB2 H 2.733 0.030 2 465 82 42 ASP HB3 H 2.332 0.030 2 466 82 42 ASP C C 176.786 0.300 1 467 82 42 ASP CA C 55.773 0.300 1 468 82 42 ASP CB C 39.563 0.300 1 469 82 42 ASP N N 118.223 0.300 1 470 83 43 HIS H H 7.257 0.030 1 471 83 43 HIS HA H 4.329 0.030 1 472 83 43 HIS HB2 H 2.962 0.030 2 473 83 43 HIS HB3 H 2.837 0.030 2 474 83 43 HIS HD2 H 7.461 0.030 1 475 83 43 HIS HE1 H 7.737 0.030 1 476 83 43 HIS C C 173.947 0.300 1 477 83 43 HIS CA C 56.839 0.300 1 478 83 43 HIS CB C 33.734 0.300 1 479 83 43 HIS CD2 C 118.984 0.300 1 480 83 43 HIS CE1 C 138.586 0.300 1 481 83 43 HIS N N 115.397 0.300 1 482 84 44 ILE H H 7.873 0.030 1 483 84 44 ILE HA H 3.966 0.030 1 484 84 44 ILE HB H 1.196 0.030 1 485 84 44 ILE HG12 H 0.898 0.030 2 486 84 44 ILE HG13 H 0.455 0.030 2 487 84 44 ILE HG2 H 0.403 0.030 1 488 84 44 ILE HD1 H 0.646 0.030 1 489 84 44 ILE C C 173.822 0.300 1 490 84 44 ILE CA C 57.419 0.300 1 491 84 44 ILE CB C 36.434 0.300 1 492 84 44 ILE CG1 C 25.686 0.300 1 493 84 44 ILE CG2 C 16.622 0.300 1 494 84 44 ILE CD1 C 10.124 0.300 1 495 84 44 ILE N N 121.678 0.300 1 496 85 45 LYS H H 7.821 0.030 1 497 85 45 LYS HA H 4.213 0.030 1 498 85 45 LYS HB2 H 1.710 0.030 2 499 85 45 LYS HB3 H 1.665 0.030 2 500 85 45 LYS HG2 H 1.419 0.030 2 501 85 45 LYS HG3 H 1.321 0.030 2 502 85 45 LYS HD2 H 1.579 0.030 1 503 85 45 LYS HD3 H 1.579 0.030 1 504 85 45 LYS HE2 H 2.886 0.030 1 505 85 45 LYS HE3 H 2.886 0.030 1 506 85 45 LYS C C 177.365 0.300 1 507 85 45 LYS CA C 56.726 0.300 1 508 85 45 LYS CB C 33.028 0.300 1 509 85 45 LYS CG C 24.640 0.300 1 510 85 45 LYS CD C 28.365 0.300 1 511 85 45 LYS CE C 42.031 0.300 1 512 85 45 LYS N N 123.834 0.300 1 513 86 46 LYS H H 8.498 0.030 1 514 86 46 LYS HA H 4.622 0.030 1 515 86 46 LYS HB2 H 1.871 0.030 2 516 86 46 LYS HB3 H 1.451 0.030 2 517 86 46 LYS HG2 H 1.081 0.030 2 518 86 46 LYS HG3 H 1.196 0.030 2 519 86 46 LYS HD2 H 1.595 0.030 2 520 86 46 LYS HD3 H 1.511 0.030 2 521 86 46 LYS HE2 H 2.661 0.030 2 522 86 46 LYS HE3 H 2.787 0.030 2 523 86 46 LYS C C 176.46 0.300 1 524 86 46 LYS CA C 53.064 0.300 1 525 86 46 LYS CB C 33.978 0.300 1 526 86 46 LYS CG C 25.047 0.300 1 527 86 46 LYS CD C 29.542 0.300 1 528 86 46 LYS CE C 42.103 0.300 1 529 86 46 LYS N N 120.851 0.300 1 530 87 47 PRO HA H 4.005 0.030 1 531 87 47 PRO HB2 H 2.365 0.030 2 532 87 47 PRO HB3 H 1.959 0.030 2 533 87 47 PRO HG2 H 2.121 0.030 2 534 87 47 PRO HG3 H 1.708 0.030 2 535 87 47 PRO HD2 H 3.296 0.030 2 536 87 47 PRO HD3 H 3.596 0.030 2 537 87 47 PRO C C 173.841 0.300 1 538 87 47 PRO CA C 62.855 0.300 1 539 87 47 PRO CB C 32.380 0.300 1 540 87 47 PRO CG C 27.815 0.300 1 541 87 47 PRO CD C 50.233 0.300 1 542 88 48 MET H H 8.497 0.030 1 543 88 48 MET HA H 4.904 0.030 1 544 88 48 MET HB2 H 1.974 0.030 2 545 88 48 MET HB3 H 1.273 0.030 2 546 88 48 MET HG2 H 2.914 0.030 2 547 88 48 MET HG3 H 1.906 0.030 2 548 88 48 MET HE H 2.019 0.030 1 549 88 48 MET C C 172.262 0.300 1 550 88 48 MET CA C 53.344 0.300 1 551 88 48 MET CB C 31.707 0.300 1 552 88 48 MET CG C 30.495 0.300 1 553 88 48 MET CE C 14.064 0.300 1 554 88 48 MET N N 118.669 0.300 1 555 89 49 ASP H H 7.239 0.030 1 556 89 49 ASP HA H 4.380 0.030 1 557 89 49 ASP HB2 H 2.313 0.030 2 558 89 49 ASP HB3 H 2.411 0.030 2 559 89 49 ASP C C 175.160 0.300 1 560 89 49 ASP CA C 53.403 0.300 1 561 89 49 ASP CB C 43.440 0.300 1 562 89 49 ASP N N 117.810 0.300 1 563 90 50 PHE H H 9.126 0.030 1 564 90 50 PHE HA H 4.461 0.030 1 565 90 50 PHE HB2 H 3.269 0.030 2 566 90 50 PHE HB3 H 3.106 0.030 2 567 90 50 PHE HD1 H 7.371 0.030 1 568 90 50 PHE HD2 H 7.371 0.030 1 569 90 50 PHE HE1 H 7.330 0.030 1 570 90 50 PHE HE2 H 7.330 0.030 1 571 90 50 PHE HZ H 7.132 0.030 1 572 90 50 PHE C C 177.506 0.300 1 573 90 50 PHE CA C 62.048 0.300 1 574 90 50 PHE CB C 38.801 0.300 1 575 90 50 PHE CD1 C 131.811 0.300 1 576 90 50 PHE CD2 C 131.811 0.300 1 577 90 50 PHE CE1 C 130.529 0.300 1 578 90 50 PHE CE2 C 130.529 0.300 1 579 90 50 PHE CZ C 128.530 0.300 1 580 90 50 PHE N N 117.860 0.300 1 581 91 51 PHE H H 8.925 0.030 1 582 91 51 PHE HA H 4.389 0.030 1 583 91 51 PHE HB2 H 3.639 0.030 2 584 91 51 PHE HB3 H 3.514 0.030 2 585 91 51 PHE HD1 H 7.266 0.030 1 586 91 51 PHE HD2 H 7.266 0.030 1 587 91 51 PHE HE1 H 7.277 0.030 1 588 91 51 PHE HE2 H 7.277 0.030 1 589 91 51 PHE HZ H 7.221 0.030 1 590 91 51 PHE C C 178.357 0.300 1 591 91 51 PHE CA C 62.067 0.300 1 592 91 51 PHE CB C 38.341 0.300 1 593 91 51 PHE CD1 C 131.551 0.300 1 594 91 51 PHE CD2 C 131.551 0.300 1 595 91 51 PHE CE1 C 131.626 0.300 1 596 91 51 PHE CE2 C 131.626 0.300 1 597 91 51 PHE CZ C 129.674 0.300 1 598 91 51 PHE N N 126.499 0.300 1 599 92 52 THR H H 9.250 0.030 1 600 92 52 THR HA H 3.624 0.030 1 601 92 52 THR HB H 4.148 0.030 1 602 92 52 THR HG2 H 1.131 0.030 1 603 92 52 THR C C 176.914 0.300 1 604 92 52 THR CA C 67.176 0.300 1 605 92 52 THR CB C 67.582 0.300 1 606 92 52 THR CG2 C 22.135 0.300 1 607 92 52 THR N N 121.854 0.300 1 608 93 53 MET H H 8.087 0.030 1 609 93 53 MET HA H 4.389 0.030 1 610 93 53 MET HB2 H 2.686 0.030 2 611 93 53 MET HB3 H 2.627 0.030 2 612 93 53 MET HG2 H 2.251 0.030 2 613 93 53 MET HG3 H 2.177 0.030 2 614 93 53 MET HE H 1.193 0.030 1 615 93 53 MET C C 178.313 0.300 1 616 93 53 MET CA C 60.870 0.300 1 617 93 53 MET CB C 33.526 0.300 1 618 93 53 MET CG C 33.599 0.300 1 619 93 53 MET CE C 16.251 0.300 1 620 93 53 MET N N 119.608 0.300 1 621 94 54 LYS H H 8.187 0.030 1 622 94 54 LYS HA H 3.879 0.030 1 623 94 54 LYS HB2 H 2.146 0.030 2 624 94 54 LYS HB3 H 1.922 0.030 2 625 94 54 LYS HG2 H 1.434 0.030 1 626 94 54 LYS HG3 H 1.434 0.030 1 627 94 54 LYS HD2 H 1.820 0.030 2 628 94 54 LYS HD3 H 1.668 0.030 2 629 94 54 LYS HE2 H 2.961 0.030 2 630 94 54 LYS HE3 H 2.929 0.030 2 631 94 54 LYS C C 178.053 0.300 1 632 94 54 LYS CA C 59.328 0.300 1 633 94 54 LYS CB C 31.709 0.300 1 634 94 54 LYS CG C 24.952 0.300 1 635 94 54 LYS CD C 29.184 0.300 1 636 94 54 LYS CE C 42.366 0.300 1 637 94 54 LYS N N 121.063 0.300 1 638 95 55 GLN H H 7.999 0.030 1 639 95 55 GLN HA H 3.740 0.030 1 640 95 55 GLN HB2 H 2.016 0.030 2 641 95 55 GLN HB3 H 1.853 0.030 2 642 95 55 GLN HG2 H 1.952 0.030 2 643 95 55 GLN HG3 H 1.823 0.030 2 644 95 55 GLN HE21 H 6.871 0.030 2 645 95 55 GLN HE22 H 6.936 0.030 2 646 95 55 GLN C C 179.751 0.300 1 647 95 55 GLN CA C 58.329 0.300 1 648 95 55 GLN CB C 28.318 0.300 1 649 95 55 GLN CG C 33.927 0.300 1 650 95 55 GLN N N 117.916 0.300 1 651 95 55 GLN NE2 N 114.289 0.300 1 652 96 56 ASN H H 8.598 0.030 1 653 96 56 ASN HA H 4.019 0.030 1 654 96 56 ASN HB2 H 3.175 0.030 2 655 96 56 ASN HB3 H 1.722 0.030 2 656 96 56 ASN HD21 H 6.614 0.030 2 657 96 56 ASN HD22 H 6.991 0.030 2 658 96 56 ASN C C 176.586 0.300 1 659 96 56 ASN CA C 55.207 0.300 1 660 96 56 ASN CB C 37.377 0.300 1 661 96 56 ASN N N 119.264 0.300 1 662 96 56 ASN ND2 N 107.880 0.300 1 663 97 57 LEU H H 8.833 0.030 1 664 97 57 LEU HA H 4.274 0.030 1 665 97 57 LEU HB2 H 2.231 0.030 2 666 97 57 LEU HB3 H 1.974 0.030 2 667 97 57 LEU HG H 1.777 0.030 1 668 97 57 LEU HD1 H 0.941 0.030 1 669 97 57 LEU HD2 H 0.871 0.030 1 670 97 57 LEU C C 181.064 0.300 1 671 97 57 LEU CA C 57.968 0.300 1 672 97 57 LEU CB C 42.744 0.300 1 673 97 57 LEU CG C 27.556 0.300 1 674 97 57 LEU CD1 C 27.555 0.300 2 675 97 57 LEU CD2 C 25.918 0.300 2 676 97 57 LEU N N 123.624 0.300 1 677 98 58 GLU H H 8.131 0.030 1 678 98 58 GLU HA H 4.064 0.030 1 679 98 58 GLU HB2 H 2.079 0.030 2 680 98 58 GLU HB3 H 1.742 0.030 2 681 98 58 GLU HG2 H 2.494 0.030 2 682 98 58 GLU HG3 H 2.414 0.030 2 683 98 58 GLU C C 176.550 0.300 1 684 98 58 GLU CA C 56.931 0.300 1 685 98 58 GLU CB C 28.216 0.300 1 686 98 58 GLU CG C 34.945 0.300 1 687 98 58 GLU N N 117.143 0.300 1 688 99 59 ALA H H 7.236 0.030 1 689 99 59 ALA HA H 4.295 0.030 1 690 99 59 ALA HB H 1.340 0.030 1 691 99 59 ALA C C 176.121 0.300 1 692 99 59 ALA CA C 51.111 0.300 1 693 99 59 ALA CB C 18.174 0.300 1 694 99 59 ALA N N 119.206 0.300 1 695 100 60 TYR H H 7.709 0.030 1 696 100 60 TYR HA H 4.398 0.030 1 697 100 60 TYR HB2 H 3.292 0.030 2 698 100 60 TYR HB3 H 3.168 0.030 2 699 100 60 TYR HD1 H 7.016 0.030 1 700 100 60 TYR HD2 H 7.016 0.030 1 701 100 60 TYR HE1 H 6.800 0.030 1 702 100 60 TYR HE2 H 6.800 0.030 1 703 100 60 TYR C C 176.081 0.300 1 704 100 60 TYR CA C 58.797 0.300 1 705 100 60 TYR CB C 33.871 0.300 1 706 100 60 TYR CD1 C 132.466 0.300 1 707 100 60 TYR CD2 C 132.466 0.300 1 708 100 60 TYR CE1 C 118.076 0.300 1 709 100 60 TYR CE2 C 118.076 0.300 1 710 100 60 TYR N N 114.150 0.300 1 711 101 61 ARG H H 7.847 0.030 1 712 101 61 ARG HA H 4.080 0.030 1 713 101 61 ARG HB2 H 1.438 0.030 2 714 101 61 ARG HB3 H 0.959 0.030 2 715 101 61 ARG HG2 H 1.429 0.030 2 716 101 61 ARG HG3 H 1.395 0.030 2 717 101 61 ARG HD2 H 3.001 0.030 2 718 101 61 ARG HD3 H 2.895 0.030 2 719 101 61 ARG HE H 7.099 0.030 1 720 101 61 ARG C C 177.252 0.300 1 721 101 61 ARG CA C 56.792 0.300 1 722 101 61 ARG CB C 30.113 0.300 1 723 101 61 ARG CG C 28.369 0.300 1 724 101 61 ARG CD C 42.641 0.300 1 725 101 61 ARG N N 113.148 0.300 1 726 101 61 ARG NE N 84.191 0.300 1 727 102 62 TYR H H 8.406 0.030 1 728 102 62 TYR HA H 5.087 0.030 1 729 102 62 TYR HB2 H 3.078 0.030 2 730 102 62 TYR HB3 H 2.878 0.030 2 731 102 62 TYR HD1 H 6.909 0.030 1 732 102 62 TYR HD2 H 6.909 0.030 1 733 102 62 TYR HE1 H 7.098 0.030 1 734 102 62 TYR HE2 H 7.098 0.030 1 735 102 62 TYR C C 174.516 0.300 1 736 102 62 TYR CA C 55.378 0.300 1 737 102 62 TYR CB C 37.391 0.300 1 738 102 62 TYR CD1 C 131.250 0.300 1 739 102 62 TYR CD2 C 131.250 0.300 1 740 102 62 TYR CE1 C 118.666 0.300 1 741 102 62 TYR CE2 C 118.666 0.300 1 742 102 62 TYR N N 118.608 0.300 1 743 103 63 LEU H H 9.240 0.030 1 744 103 63 LEU HA H 4.425 0.030 1 745 103 63 LEU HB2 H 1.710 0.030 2 746 103 63 LEU HB3 H 1.593 0.030 2 747 103 63 LEU HG H 1.620 0.030 1 748 103 63 LEU HD1 H 0.918 0.030 1 749 103 63 LEU HD2 H 0.840 0.030 1 750 103 63 LEU C C 176.609 0.300 1 751 103 63 LEU CA C 54.921 0.300 1 752 103 63 LEU CB C 42.032 0.300 1 753 103 63 LEU CG C 27.350 0.300 1 754 103 63 LEU CD1 C 25.074 0.300 2 755 103 63 LEU CD2 C 22.834 0.300 2 756 103 63 LEU N N 123.966 0.300 1 757 104 64 ASN H H 7.951 0.030 1 758 104 64 ASN HA H 4.495 0.030 1 759 104 64 ASN HB2 H 2.926 0.030 2 760 104 64 ASN HB3 H 2.820 0.030 2 761 104 64 ASN HD21 H 6.851 0.030 2 762 104 64 ASN HD22 H 7.493 0.030 2 763 104 64 ASN C C 174.735 0.300 1 764 104 64 ASN CA C 51.717 0.300 1 765 104 64 ASN CB C 40.825 0.300 1 766 104 64 ASN N N 112.900 0.300 1 767 104 64 ASN ND2 N 114.480 0.300 1 768 105 65 PHE H H 9.570 0.030 1 769 105 65 PHE HA H 3.929 0.030 1 770 105 65 PHE HB2 H 3.083 0.030 2 771 105 65 PHE HB3 H 3.038 0.030 2 772 105 65 PHE HD1 H 7.019 0.030 1 773 105 65 PHE HD2 H 7.019 0.030 1 774 105 65 PHE HE1 H 7.043 0.030 1 775 105 65 PHE HE2 H 7.043 0.030 1 776 105 65 PHE HZ H 7.174 0.030 1 777 105 65 PHE C C 176.724 0.300 1 778 105 65 PHE CA C 62.547 0.300 1 779 105 65 PHE CB C 40.182 0.300 1 780 105 65 PHE CD1 C 131.354 0.300 1 781 105 65 PHE CD2 C 131.354 0.300 1 782 105 65 PHE CE1 C 130.182 0.300 1 783 105 65 PHE CE2 C 130.182 0.300 1 784 105 65 PHE CZ C 129.413 0.300 1 785 105 65 PHE N N 121.046 0.300 1 786 106 66 ASP H H 8.433 0.030 1 787 106 66 ASP HA H 4.316 0.030 1 788 106 66 ASP HB2 H 2.744 0.030 2 789 106 66 ASP HB3 H 2.713 0.030 2 790 106 66 ASP C C 178.419 0.300 1 791 106 66 ASP CA C 58.023 0.300 1 792 106 66 ASP CB C 39.878 0.300 1 793 106 66 ASP N N 118.542 0.300 1 794 107 67 ASP H H 8.338 0.030 1 795 107 67 ASP HA H 4.347 0.030 1 796 107 67 ASP HB2 H 3.062 0.030 2 797 107 67 ASP HB3 H 2.809 0.030 2 798 107 67 ASP C C 177.702 0.300 1 799 107 67 ASP CA C 57.299 0.300 1 800 107 67 ASP CB C 41.077 0.300 1 801 107 67 ASP N N 119.460 0.300 1 802 108 68 PHE H H 6.723 0.030 1 803 108 68 PHE HA H 3.100 0.030 1 804 108 68 PHE HB2 H 2.620 0.030 2 805 108 68 PHE HB3 H 2.081 0.030 2 806 108 68 PHE HD1 H 6.183 0.030 1 807 108 68 PHE HD2 H 6.183 0.030 1 808 108 68 PHE HE1 H 6.771 0.030 1 809 108 68 PHE HE2 H 6.771 0.030 1 810 108 68 PHE HZ H 6.669 0.030 1 811 108 68 PHE C C 175.587 0.300 1 812 108 68 PHE CA C 60.080 0.300 1 813 108 68 PHE CB C 39.015 0.300 1 814 108 68 PHE CD1 C 131.835 0.300 1 815 108 68 PHE CD2 C 131.835 0.300 1 816 108 68 PHE CE1 C 129.657 0.300 1 817 108 68 PHE CE2 C 129.657 0.300 1 818 108 68 PHE CZ C 128.149 0.300 1 819 108 68 PHE N N 120.292 0.300 1 820 109 69 GLU H H 8.411 0.030 1 821 109 69 GLU HA H 3.466 0.030 1 822 109 69 GLU HB2 H 2.087 0.030 1 823 109 69 GLU HB3 H 2.087 0.030 1 824 109 69 GLU HG2 H 2.288 0.030 1 825 109 69 GLU HG3 H 2.288 0.030 1 826 109 69 GLU C C 177.613 0.300 1 827 109 69 GLU CA C 59.750 0.300 1 828 109 69 GLU CB C 29.371 0.300 1 829 109 69 GLU CG C 36.815 0.300 1 830 109 69 GLU N N 119.871 0.300 1 831 110 70 GLU H H 8.374 0.030 1 832 110 70 GLU HA H 4.039 0.030 1 833 110 70 GLU HB2 H 2.156 0.030 2 834 110 70 GLU HB3 H 2.060 0.030 2 835 110 70 GLU HG2 H 2.328 0.030 1 836 110 70 GLU HG3 H 2.328 0.030 1 837 110 70 GLU C C 179.311 0.300 1 838 110 70 GLU CA C 59.313 0.300 1 839 110 70 GLU CB C 29.178 0.300 1 840 110 70 GLU CG C 36.100 0.300 1 841 110 70 GLU N N 117.389 0.300 1 842 111 71 ASP H H 6.956 0.030 1 843 111 71 ASP HA H 4.787 0.030 1 844 111 71 ASP HB2 H 2.730 0.030 2 845 111 71 ASP HB3 H 2.560 0.030 2 846 111 71 ASP C C 177.661 0.300 1 847 111 71 ASP CA C 57.208 0.300 1 848 111 71 ASP CB C 38.266 0.300 1 849 111 71 ASP N N 120.775 0.300 1 850 112 72 PHE H H 7.341 0.030 1 851 112 72 PHE HA H 3.804 0.030 1 852 112 72 PHE HB2 H 2.857 0.030 2 853 112 72 PHE HB3 H 2.353 0.030 2 854 112 72 PHE HD1 H 7.012 0.030 1 855 112 72 PHE HD2 H 7.012 0.030 1 856 112 72 PHE HE1 H 7.117 0.030 1 857 112 72 PHE HE2 H 7.117 0.030 1 858 112 72 PHE HZ H 7.091 0.030 1 859 112 72 PHE C C 176.444 0.300 1 860 112 72 PHE CA C 61.539 0.300 1 861 112 72 PHE CB C 37.921 0.300 1 862 112 72 PHE CD1 C 132.467 0.300 1 863 112 72 PHE CD2 C 132.467 0.300 1 864 112 72 PHE CE1 C 130.166 0.300 1 865 112 72 PHE CE2 C 130.166 0.300 1 866 112 72 PHE CZ C 128.531 0.300 1 867 112 72 PHE N N 120.646 0.300 1 868 113 73 ASN H H 8.617 0.030 1 869 113 73 ASN HA H 3.894 0.030 1 870 113 73 ASN HB2 H 2.843 0.030 2 871 113 73 ASN HB3 H 2.660 0.030 2 872 113 73 ASN HD21 H 7.518 0.030 2 873 113 73 ASN HD22 H 6.980 0.030 2 874 113 73 ASN C C 178.101 0.300 1 875 113 73 ASN CA C 55.065 0.300 1 876 113 73 ASN CB C 37.191 0.300 1 877 113 73 ASN N N 116.219 0.300 1 878 113 73 ASN ND2 N 110.810 0.300 1 879 114 74 LEU H H 7.610 0.030 1 880 114 74 LEU HA H 4.103 0.030 1 881 114 74 LEU HB2 H 1.842 0.030 2 882 114 74 LEU HB3 H 1.626 0.030 2 883 114 74 LEU HG H 1.671 0.030 1 884 114 74 LEU HD1 H 0.953 0.030 1 885 114 74 LEU HD2 H 0.867 0.030 1 886 114 74 LEU C C 178.086 0.300 1 887 114 74 LEU CA C 57.049 0.300 1 888 114 74 LEU CB C 42.744 0.300 1 889 114 74 LEU CG C 26.695 0.300 1 890 114 74 LEU CD1 C 24.764 0.300 2 891 114 74 LEU CD2 C 24.240 0.300 2 892 114 74 LEU N N 122.583 0.300 1 893 115 75 ILE H H 7.166 0.030 1 894 115 75 ILE HA H 3.020 0.030 1 895 115 75 ILE HB H 1.483 0.030 1 896 115 75 ILE HG12 H 1.606 0.030 2 897 115 75 ILE HG13 H -0.008 0.030 2 898 115 75 ILE HG2 H 0.025 0.030 1 899 115 75 ILE HD1 H -0.077 0.030 1 900 115 75 ILE C C 179.100 0.300 1 901 115 75 ILE CA C 66.519 0.300 1 902 115 75 ILE CB C 37.037 0.300 1 903 115 75 ILE CG1 C 28.784 0.300 1 904 115 75 ILE CG2 C 17.146 0.300 1 905 115 75 ILE CD1 C 14.109 0.300 1 906 115 75 ILE N N 119.003 0.300 1 907 116 76 VAL H H 6.346 0.030 1 908 116 76 VAL HA H 3.014 0.030 1 909 116 76 VAL HB H 1.706 0.030 1 910 116 76 VAL HG1 H 0.609 0.030 1 911 116 76 VAL HG2 H 0.247 0.030 1 912 116 76 VAL C C 177.313 0.300 1 913 116 76 VAL CA C 66.015 0.300 1 914 116 76 VAL CB C 32.277 0.300 1 915 116 76 VAL CG1 C 21.424 0.300 2 916 116 76 VAL CG2 C 21.140 0.300 2 917 116 76 VAL N N 115.205 0.300 1 918 117 77 SER H H 9.032 0.030 1 919 117 77 SER HA H 3.844 0.030 1 920 117 77 SER HB2 H 3.772 0.030 2 921 117 77 SER HB3 H 3.844 0.030 2 922 117 77 SER C C 178.093 0.300 1 923 117 77 SER CA C 61.897 0.300 1 924 117 77 SER CB C 61.903 0.300 1 925 117 77 SER N N 115.762 0.300 1 926 118 78 ASN H H 9.085 0.030 1 927 118 78 ASN HA H 4.310 0.030 1 928 118 78 ASN HB2 H 2.978 0.030 2 929 118 78 ASN HB3 H 2.682 0.030 2 930 118 78 ASN HD21 H 7.741 0.030 2 931 118 78 ASN HD22 H 6.833 0.030 2 932 118 78 ASN C C 175.893 0.300 1 933 118 78 ASN CA C 54.916 0.300 1 934 118 78 ASN CB C 37.750 0.300 1 935 118 78 ASN N N 121.718 0.300 1 936 118 78 ASN ND2 N 112.571 0.300 1 937 119 79 CYS H H 6.979 0.030 1 938 119 79 CYS HA H 4.511 0.030 1 939 119 79 CYS HB2 H 3.353 0.030 2 940 119 79 CYS HB3 H 2.954 0.030 2 941 119 79 CYS C C 177.841 0.300 1 942 119 79 CYS CA C 62.139 0.300 1 943 119 79 CYS CB C 26.819 0.300 1 944 119 79 CYS N N 120.021 0.300 1 945 120 80 LEU H H 7.977 0.030 1 946 120 80 LEU HA H 4.139 0.030 1 947 120 80 LEU HB2 H 1.661 0.030 2 948 120 80 LEU HB3 H 1.354 0.030 2 949 120 80 LEU HG H 1.653 0.030 1 950 120 80 LEU HD1 H 0.529 0.030 1 951 120 80 LEU HD2 H -0.036 0.030 1 952 120 80 LEU C C 177.389 0.300 1 953 120 80 LEU CA C 56.252 0.300 1 954 120 80 LEU CB C 40.647 0.300 1 955 120 80 LEU CG C 25.619 0.300 1 956 120 80 LEU CD1 C 26.281 0.300 2 957 120 80 LEU CD2 C 22.867 0.300 2 958 120 80 LEU N N 117.094 0.300 1 959 121 81 LYS H H 7.721 0.030 1 960 121 81 LYS HA H 4.234 0.030 1 961 121 81 LYS HB2 H 1.906 0.030 1 962 121 81 LYS HB3 H 1.906 0.030 1 963 121 81 LYS HG2 H 1.428 0.030 2 964 121 81 LYS HG3 H 1.333 0.030 2 965 121 81 LYS HD2 H 1.696 0.030 1 966 121 81 LYS HD3 H 1.696 0.030 1 967 121 81 LYS HE2 H 3.027 0.030 1 968 121 81 LYS HE3 H 3.027 0.030 1 969 121 81 LYS C C 178.383 0.300 1 970 121 81 LYS CA C 57.826 0.300 1 971 121 81 LYS CB C 33.135 0.300 1 972 121 81 LYS CG C 25.292 0.300 1 973 121 81 LYS CD C 29.263 0.300 1 974 121 81 LYS CE C 42.282 0.300 1 975 121 81 LYS N N 117.170 0.300 1 976 122 82 TYR H H 8.422 0.030 1 977 122 82 TYR HA H 3.646 0.030 1 978 122 82 TYR HB2 H 2.947 0.030 2 979 122 82 TYR HB3 H 2.899 0.030 2 980 122 82 TYR HD1 H 6.803 0.030 1 981 122 82 TYR HD2 H 6.803 0.030 1 982 122 82 TYR HE1 H 6.483 0.030 1 983 122 82 TYR HE2 H 6.483 0.030 1 984 122 82 TYR C C 175.355 0.300 1 985 122 82 TYR CA C 62.666 0.300 1 986 122 82 TYR CB C 40.174 0.300 1 987 122 82 TYR CD1 C 132.776 0.300 1 988 122 82 TYR CD2 C 132.776 0.300 1 989 122 82 TYR CE1 C 117.946 0.300 1 990 122 82 TYR CE2 C 117.946 0.300 1 991 122 82 TYR N N 116.548 0.300 1 992 123 83 ASN H H 7.694 0.030 1 993 123 83 ASN HA H 4.488 0.030 1 994 123 83 ASN HB2 H 3.007 0.030 2 995 123 83 ASN HB3 H 2.848 0.030 2 996 123 83 ASN HD21 H 8.404 0.030 2 997 123 83 ASN HD22 H 7.931 0.030 2 998 123 83 ASN C C 173.834 0.300 1 999 123 83 ASN CA C 53.373 0.300 1 1000 123 83 ASN CB C 42.149 0.300 1 1001 123 83 ASN N N 114.131 0.300 1 1002 123 83 ASN ND2 N 121.316 0.300 1 1003 124 84 ALA H H 8.724 0.030 1 1004 124 84 ALA HA H 4.127 0.030 1 1005 124 84 ALA HB H 1.417 0.030 1 1006 124 84 ALA C C 177.464 0.300 1 1007 124 84 ALA CA C 51.794 0.300 1 1008 124 84 ALA CB C 19.055 0.300 1 1009 124 84 ALA N N 121.857 0.300 1 1010 125 85 LYS H H 8.284 0.030 1 1011 125 85 LYS HA H 2.412 0.030 1 1012 125 85 LYS HB2 H 1.296 0.030 2 1013 125 85 LYS HB3 H 1.263 0.030 2 1014 125 85 LYS HG2 H 1.020 0.030 2 1015 125 85 LYS HG3 H 0.836 0.030 2 1016 125 85 LYS HD2 H 1.473 0.030 1 1017 125 85 LYS HD3 H 1.473 0.030 1 1018 125 85 LYS HE2 H 2.902 0.030 1 1019 125 85 LYS HE3 H 2.902 0.030 1 1020 125 85 LYS C C 179.091 0.300 1 1021 125 85 LYS CA C 57.976 0.300 1 1022 125 85 LYS CB C 32.101 0.300 1 1023 125 85 LYS CG C 25.018 0.300 1 1024 125 85 LYS CD C 29.392 0.300 1 1025 125 85 LYS CE C 41.893 0.300 1 1026 125 85 LYS N N 119.619 0.300 1 1027 126 86 ASP H H 7.889 0.030 1 1028 126 86 ASP HA H 4.596 0.030 1 1029 126 86 ASP HB2 H 2.670 0.030 2 1030 126 86 ASP HB3 H 2.612 0.030 2 1031 126 86 ASP C C 176.226 0.300 1 1032 126 86 ASP CA C 53.103 0.300 1 1033 126 86 ASP CB C 39.126 0.300 1 1034 127 87 THR H H 7.599 0.030 1 1035 127 87 THR HA H 4.643 0.030 1 1036 127 87 THR HB H 4.564 0.030 1 1037 127 87 THR HG2 H 1.492 0.030 1 1038 127 87 THR C C 175.784 0.300 1 1039 127 87 THR CA C 60.543 0.300 1 1040 127 87 THR CB C 74.778 0.300 1 1041 127 87 THR CG2 C 22.874 0.300 1 1042 127 87 THR N N 108.231 0.300 1 1043 128 88 ILE H H 8.868 0.030 1 1044 128 88 ILE HA H 3.791 0.030 1 1045 128 88 ILE HB H 1.497 0.030 1 1046 128 88 ILE HG12 H 0.860 0.030 1 1047 128 88 ILE HG13 H 0.860 0.030 1 1048 128 88 ILE HG2 H 0.524 0.030 1 1049 128 88 ILE HD1 H 0.596 0.030 1 1050 128 88 ILE C C 178.197 0.300 1 1051 128 88 ILE CA C 63.754 0.300 1 1052 128 88 ILE CB C 37.750 0.300 1 1053 128 88 ILE CG1 C 27.431 0.300 1 1054 128 88 ILE CG2 C 16.763 0.300 1 1055 128 88 ILE CD1 C 13.477 0.300 1 1056 128 88 ILE N N 119.315 0.300 1 1057 129 89 PHE H H 6.419 0.030 1 1058 129 89 PHE HA H 3.877 0.030 1 1059 129 89 PHE HB2 H 3.073 0.030 2 1060 129 89 PHE HB3 H 2.525 0.030 2 1061 129 89 PHE HD1 H 7.058 0.030 1 1062 129 89 PHE HD2 H 7.058 0.030 1 1063 129 89 PHE HE1 H 7.470 0.030 1 1064 129 89 PHE HE2 H 7.470 0.030 1 1065 129 89 PHE HZ H 7.353 0.030 1 1066 129 89 PHE C C 175.673 0.300 1 1067 129 89 PHE CA C 60.475 0.300 1 1068 129 89 PHE CB C 39.742 0.300 1 1069 129 89 PHE CD1 C 130.452 0.300 1 1070 129 89 PHE CD2 C 130.452 0.300 1 1071 129 89 PHE CE1 C 132.413 0.300 1 1072 129 89 PHE CE2 C 132.413 0.300 1 1073 129 89 PHE CZ C 130.753 0.300 1 1074 130 90 TYR H H 7.651 0.030 1 1075 130 90 TYR HA H 3.816 0.030 1 1076 130 90 TYR HB2 H 3.252 0.030 2 1077 130 90 TYR HB3 H 2.743 0.030 2 1078 130 90 TYR HD1 H 7.067 0.030 1 1079 130 90 TYR HD2 H 7.067 0.030 1 1080 130 90 TYR HE1 H 6.888 0.030 1 1081 130 90 TYR HE2 H 6.888 0.030 1 1082 130 90 TYR C C 177.695 0.300 1 1083 130 90 TYR CA C 62.084 0.300 1 1084 130 90 TYR CB C 40.060 0.300 1 1085 130 90 TYR CD1 C 134.229 0.300 3 1086 130 90 TYR CD2 C 134.510 0.300 3 1087 130 90 TYR CE1 C 118.758 0.300 3 1088 130 90 TYR CE2 C 118.699 0.300 3 1089 130 90 TYR N N 120.096 0.300 1 1090 131 91 ARG H H 7.859 0.030 1 1091 131 91 ARG HA H 4.030 0.030 1 1092 131 91 ARG HB2 H 1.907 0.030 1 1093 131 91 ARG HB3 H 1.907 0.030 1 1094 131 91 ARG HG2 H 2.043 0.030 2 1095 131 91 ARG HG3 H 1.763 0.030 2 1096 131 91 ARG HD2 H 3.302 0.030 2 1097 131 91 ARG HD3 H 3.140 0.030 2 1098 131 91 ARG HE H 7.302 0.030 1 1099 131 91 ARG C C 179.448 0.300 1 1100 131 91 ARG CA C 59.896 0.300 1 1101 131 91 ARG CB C 30.280 0.300 1 1102 131 91 ARG CG C 28.657 0.300 1 1103 131 91 ARG CD C 43.572 0.300 1 1104 131 91 ARG NE N 84.156 0.300 1 1105 132 92 ALA H H 8.286 0.030 1 1106 132 92 ALA HA H 4.301 0.030 1 1107 132 92 ALA HB H 1.704 0.030 1 1108 132 92 ALA C C 180.928 0.300 1 1109 132 92 ALA CA C 54.885 0.300 1 1110 132 92 ALA CB C 18.544 0.300 1 1111 132 92 ALA N N 121.481 0.300 1 1112 133 93 ALA H H 8.396 0.030 1 1113 133 93 ALA HA H 4.077 0.030 1 1114 133 93 ALA HB H 1.664 0.030 1 1115 133 93 ALA C C 178.648 0.300 1 1116 133 93 ALA CA C 55.252 0.300 1 1117 133 93 ALA CB C 18.285 0.300 1 1118 133 93 ALA N N 123.234 0.300 1 1119 134 94 VAL H H 8.007 0.030 1 1120 134 94 VAL HA H 3.367 0.030 1 1121 134 94 VAL HB H 2.159 0.030 1 1122 134 94 VAL HG1 H 0.955 0.030 1 1123 134 94 VAL HG2 H 0.951 0.030 1 1124 134 94 VAL C C 178.975 0.300 1 1125 134 94 VAL CA C 67.300 0.300 1 1126 134 94 VAL CB C 31.895 0.300 1 1127 134 94 VAL CG1 C 21.277 0.300 2 1128 134 94 VAL CG2 C 23.589 0.300 2 1129 134 94 VAL N N 119.579 0.300 1 1130 135 95 ARG H H 7.704 0.030 1 1131 135 95 ARG HA H 4.274 0.030 1 1132 135 95 ARG HB2 H 1.973 0.030 1 1133 135 95 ARG HB3 H 1.973 0.030 1 1134 135 95 ARG HG2 H 1.873 0.030 2 1135 135 95 ARG HG3 H 1.702 0.030 2 1136 135 95 ARG HD2 H 3.309 0.030 1 1137 135 95 ARG HD3 H 3.309 0.030 1 1138 135 95 ARG HE H 7.437 0.030 1 1139 135 95 ARG C C 178.312 0.300 1 1140 135 95 ARG CA C 59.095 0.300 1 1141 135 95 ARG CB C 30.053 0.300 1 1142 135 95 ARG CG C 27.307 0.300 1 1143 135 95 ARG CD C 43.314 0.300 1 1144 135 95 ARG N N 119.171 0.300 1 1145 135 95 ARG NE N 84.557 0.300 1 1146 136 96 LEU H H 8.445 0.030 1 1147 136 96 LEU HA H 4.245 0.030 1 1148 136 96 LEU HB2 H 1.786 0.030 2 1149 136 96 LEU HB3 H 1.691 0.030 2 1150 136 96 LEU HG H 1.708 0.030 1 1151 136 96 LEU HD1 H 0.385 0.030 1 1152 136 96 LEU HD2 H 1.113 0.030 1 1153 136 96 LEU C C 179.634 0.300 1 1154 136 96 LEU CA C 57.838 0.300 1 1155 136 96 LEU CB C 41.883 0.300 1 1156 136 96 LEU CG C 26.717 0.300 1 1157 136 96 LEU CD1 C 26.045 0.300 2 1158 136 96 LEU CD2 C 23.432 0.300 2 1159 136 96 LEU N N 121.307 0.300 1 1160 137 97 ARG H H 8.664 0.030 1 1161 137 97 ARG HA H 3.949 0.030 1 1162 137 97 ARG HB2 H 2.243 0.030 2 1163 137 97 ARG HB3 H 1.895 0.030 2 1164 137 97 ARG HG2 H 1.766 0.030 2 1165 137 97 ARG HG3 H 1.604 0.030 2 1166 137 97 ARG HD2 H 2.979 0.030 2 1167 137 97 ARG HD3 H 3.180 0.030 2 1168 137 97 ARG HE H 7.368 0.030 1 1169 137 97 ARG C C 179.522 0.300 1 1170 137 97 ARG CA C 59.885 0.300 1 1171 137 97 ARG CB C 30.121 0.300 1 1172 137 97 ARG CG C 25.768 0.300 1 1173 137 97 ARG CD C 43.833 0.300 1 1174 137 97 ARG N N 120.637 0.300 1 1175 137 97 ARG NE N 83.720 0.300 1 1176 138 98 GLU H H 7.848 0.030 1 1177 138 98 GLU HA H 4.158 0.030 1 1178 138 98 GLU HB2 H 2.292 0.030 2 1179 138 98 GLU HB3 H 2.236 0.030 2 1180 138 98 GLU HG2 H 2.454 0.030 2 1181 138 98 GLU HG3 H 2.315 0.030 2 1182 138 98 GLU C C 179.754 0.300 1 1183 138 98 GLU CA C 59.117 0.300 1 1184 138 98 GLU CB C 29.982 0.300 1 1185 138 98 GLU CG C 35.893 0.300 1 1186 138 98 GLU N N 119.046 0.300 1 1187 139 99 GLN H H 9.068 0.030 1 1188 139 99 GLN HA H 4.206 0.030 1 1189 139 99 GLN HB2 H 2.121 0.030 2 1190 139 99 GLN HB3 H 2.012 0.030 2 1191 139 99 GLN HG2 H 2.755 0.030 2 1192 139 99 GLN HG3 H 2.523 0.030 2 1193 139 99 GLN HE21 H 7.758 0.030 2 1194 139 99 GLN HE22 H 6.983 0.030 2 1195 139 99 GLN C C 179.614 0.300 1 1196 139 99 GLN CA C 58.433 0.300 1 1197 139 99 GLN CB C 29.447 0.300 1 1198 139 99 GLN CG C 34.418 0.300 1 1199 139 99 GLN N N 117.998 0.300 1 1200 139 99 GLN NE2 N 112.174 0.300 1 1201 140 100 GLY H H 9.502 0.030 1 1202 140 100 GLY HA2 H 3.696 0.030 2 1203 140 100 GLY HA3 H 3.615 0.030 2 1204 140 100 GLY C C 175.229 0.300 1 1205 140 100 GLY CA C 46.104 0.300 1 1206 140 100 GLY N N 108.894 0.300 1 1207 141 101 GLY H H 7.687 0.030 1 1208 141 101 GLY HA2 H 4.099 0.030 2 1209 141 101 GLY HA3 H 3.832 0.030 2 1210 141 101 GLY C C 176.012 0.300 1 1211 141 101 GLY CA C 47.681 0.300 1 1212 141 101 GLY N N 108.360 0.300 1 1213 142 102 ALA H H 7.462 0.030 1 1214 142 102 ALA HA H 4.118 0.030 1 1215 142 102 ALA HB H 1.515 0.030 1 1216 142 102 ALA C C 180.476 0.300 1 1217 142 102 ALA CA C 55.254 0.300 1 1218 142 102 ALA CB C 18.091 0.300 1 1219 142 102 ALA N N 122.606 0.300 1 1220 143 103 VAL H H 7.039 0.030 1 1221 143 103 VAL HA H 3.670 0.030 1 1222 143 103 VAL HB H 2.251 0.030 1 1223 143 103 VAL HG1 H 0.872 0.030 1 1224 143 103 VAL HG2 H 0.981 0.030 1 1225 143 103 VAL C C 179.245 0.300 1 1226 143 103 VAL CA C 65.393 0.300 1 1227 143 103 VAL CB C 32.015 0.300 1 1228 143 103 VAL CG1 C 22.072 0.300 2 1229 143 103 VAL CG2 C 21.965 0.300 2 1230 143 103 VAL N N 119.034 0.300 1 1231 144 104 LEU H H 8.364 0.030 1 1232 144 104 LEU HA H 3.991 0.030 1 1233 144 104 LEU HB2 H 1.957 0.030 2 1234 144 104 LEU HB3 H 1.646 0.030 2 1235 144 104 LEU HG H 1.473 0.030 1 1236 144 104 LEU HD1 H 0.618 0.030 1 1237 144 104 LEU HD2 H 0.801 0.030 1 1238 144 104 LEU C C 179.008 0.300 1 1239 144 104 LEU CA C 58.240 0.300 1 1240 144 104 LEU CB C 41.350 0.300 1 1241 144 104 LEU CG C 27.320 0.300 1 1242 144 104 LEU CD1 C 26.541 0.300 2 1243 144 104 LEU CD2 C 23.733 0.300 2 1244 144 104 LEU N N 120.147 0.300 1 1245 145 105 ARG H H 8.289 0.030 1 1246 145 105 ARG HA H 3.966 0.030 1 1247 145 105 ARG HB2 H 1.938 0.030 2 1248 145 105 ARG HB3 H 1.785 0.030 2 1249 145 105 ARG HG2 H 1.858 0.030 2 1250 145 105 ARG HG3 H 1.515 0.030 2 1251 145 105 ARG HD2 H 3.284 0.030 2 1252 145 105 ARG HD3 H 3.140 0.030 2 1253 145 105 ARG C C 179.204 0.300 1 1254 145 105 ARG CA C 59.902 0.300 1 1255 145 105 ARG CB C 30.251 0.300 1 1256 145 105 ARG CG C 27.966 0.300 1 1257 145 105 ARG CD C 43.307 0.300 1 1258 145 105 ARG N N 119.746 0.300 1 1259 146 106 GLN H H 7.380 0.030 1 1260 146 106 GLN HA H 4.053 0.030 1 1261 146 106 GLN HB2 H 2.155 0.030 2 1262 146 106 GLN HB3 H 2.099 0.030 2 1263 146 106 GLN HG2 H 2.486 0.030 2 1264 146 106 GLN HG3 H 2.395 0.030 2 1265 146 106 GLN HE21 H 7.517 0.030 2 1266 146 106 GLN HE22 H 6.942 0.030 2 1267 146 106 GLN C C 178.257 0.300 1 1268 146 106 GLN CA C 58.292 0.300 1 1269 146 106 GLN CB C 27.967 0.300 1 1270 146 106 GLN CG C 33.428 0.300 1 1271 146 106 GLN N N 117.478 0.300 1 1272 146 106 GLN NE2 N 112.089 0.300 1 1273 147 107 ALA H H 8.135 0.030 1 1274 147 107 ALA HA H 4.026 0.030 1 1275 147 107 ALA HB H 1.501 0.030 1 1276 147 107 ALA C C 178.685 0.300 1 1277 147 107 ALA CA C 54.932 0.300 1 1278 147 107 ALA CB C 19.822 0.300 1 1279 147 107 ALA N N 123.589 0.300 1 1280 148 108 ARG H H 8.255 0.030 1 1281 148 108 ARG HA H 2.600 0.030 1 1282 148 108 ARG HB2 H 1.540 0.030 2 1283 148 108 ARG HB3 H 1.469 0.030 2 1284 148 108 ARG HG2 H 1.080 0.030 1 1285 148 108 ARG HG3 H 1.080 0.030 1 1286 148 108 ARG HD2 H 3.250 0.030 2 1287 148 108 ARG HD3 H 2.948 0.030 2 1288 148 108 ARG HE H 7.813 0.030 1 1289 148 108 ARG C C 178.329 0.300 1 1290 148 108 ARG CA C 59.176 0.300 1 1291 148 108 ARG CB C 30.127 0.300 1 1292 148 108 ARG CG C 27.889 0.300 1 1293 148 108 ARG CD C 43.046 0.300 1 1294 148 108 ARG N N 119.254 0.300 1 1295 148 108 ARG NE N 84.009 0.300 1 1296 149 109 ARG H H 7.093 0.030 1 1297 149 109 ARG HA H 3.980 0.030 1 1298 149 109 ARG HB2 H 1.868 0.030 1 1299 149 109 ARG HB3 H 1.868 0.030 1 1300 149 109 ARG HG2 H 1.725 0.030 2 1301 149 109 ARG HG3 H 1.622 0.030 2 1302 149 109 ARG HD2 H 3.167 0.030 1 1303 149 109 ARG HD3 H 3.167 0.030 1 1304 149 109 ARG HE H 7.415 0.030 1 1305 149 109 ARG C C 179.445 0.300 1 1306 149 109 ARG CA C 58.736 0.300 1 1307 149 109 ARG CB C 29.775 0.300 1 1308 149 109 ARG CG C 27.333 0.300 1 1309 149 109 ARG CD C 43.219 0.300 1 1310 149 109 ARG N N 116.833 0.300 1 1311 149 109 ARG NE N 83.476 0.300 1 1312 150 110 GLN H H 7.478 0.030 1 1313 150 110 GLN HA H 3.992 0.030 1 1314 150 110 GLN HB2 H 2.202 0.030 2 1315 150 110 GLN HB3 H 2.042 0.030 2 1316 150 110 GLN HG2 H 2.428 0.030 2 1317 150 110 GLN HG3 H 2.342 0.030 2 1318 150 110 GLN HE21 H 6.914 0.030 2 1319 150 110 GLN HE22 H 7.313 0.030 2 1320 150 110 GLN C C 178.730 0.300 1 1321 150 110 GLN CA C 58.391 0.300 1 1322 150 110 GLN CB C 28.318 0.300 1 1323 150 110 GLN CG C 33.850 0.300 1 1324 150 110 GLN N N 117.912 0.300 1 1325 150 110 GLN NE2 N 112.138 0.300 1 1326 151 111 ALA H H 8.386 0.030 1 1327 151 111 ALA HA H 4.029 0.030 1 1328 151 111 ALA HB H 1.447 0.030 1 1329 151 111 ALA C C 180.308 0.300 1 1330 151 111 ALA CA C 54.816 0.300 1 1331 151 111 ALA CB C 17.818 0.300 1 1332 151 111 ALA N N 123.226 0.300 1 1333 152 112 GLU H H 8.132 0.030 1 1334 152 112 GLU HA H 3.997 0.030 1 1335 152 112 GLU HB2 H 2.077 0.030 2 1336 152 112 GLU HB3 H 1.996 0.030 2 1337 152 112 GLU HG2 H 2.441 0.030 2 1338 152 112 GLU HG3 H 2.232 0.030 2 1339 152 112 GLU C C 178.657 0.300 1 1340 152 112 GLU CA C 58.393 0.300 1 1341 152 112 GLU CB C 29.420 0.300 1 1342 152 112 GLU CG C 36.422 0.300 1 1343 152 112 GLU N N 117.983 0.300 1 1344 153 113 LYS H H 7.518 0.030 1 1345 153 113 LYS HA H 4.206 0.030 1 1346 153 113 LYS HB2 H 1.942 0.030 2 1347 153 113 LYS HB3 H 1.825 0.030 2 1348 153 113 LYS HG2 H 1.536 0.030 2 1349 153 113 LYS HG3 H 1.439 0.030 2 1350 153 113 LYS HD2 H 1.633 0.030 1 1351 153 113 LYS HD3 H 1.633 0.030 1 1352 153 113 LYS HE2 H 2.914 0.030 1 1353 153 113 LYS HE3 H 2.914 0.030 1 1354 153 113 LYS C C 177.745 0.300 1 1355 153 113 LYS CA C 57.279 0.300 1 1356 153 113 LYS CB C 32.437 0.300 1 1357 153 113 LYS CG C 24.864 0.300 1 1358 153 113 LYS CD C 29.022 0.300 1 1359 153 113 LYS CE C 41.901 0.300 1 1360 153 113 LYS N N 118.280 0.300 1 1361 154 114 MET H H 7.698 0.030 1 1362 154 114 MET HA H 4.344 0.030 1 1363 154 114 MET HB2 H 2.163 0.030 1 1364 154 114 MET HB3 H 2.163 0.030 1 1365 154 114 MET HG2 H 2.721 0.030 2 1366 154 114 MET HG3 H 2.639 0.030 2 1367 154 114 MET HE H 2.024 0.030 1 1368 154 114 MET C C 176.851 0.300 1 1369 154 114 MET CA C 56.801 0.300 1 1370 154 114 MET CB C 33.094 0.300 1 1371 154 114 MET CG C 31.951 0.300 1 1372 154 114 MET CE C 17.174 0.300 1 1373 154 114 MET N N 118.061 0.300 1 1374 155 115 GLY H H 8.032 0.030 1 1375 155 115 GLY HA2 H 3.997 0.030 1 1376 155 115 GLY HA3 H 3.997 0.030 1 1377 155 115 GLY C C 174.108 0.300 1 1378 155 115 GLY CA C 45.337 0.300 1 1379 155 115 GLY N N 108.242 0.300 1 1380 156 116 SER H H 8.195 0.030 1 1381 156 116 SER HA H 4.479 0.030 1 1382 156 116 SER HB2 H 3.813 0.030 1 1383 156 116 SER HB3 H 3.813 0.030 1 1384 156 116 SER C C 174.627 0.300 1 1385 156 116 SER CA C 58.176 0.300 1 1386 156 116 SER CB C 63.933 0.300 1 1387 156 116 SER N N 115.368 0.300 1 1388 157 117 GLY H H 8.299 0.030 1 1389 157 117 GLY HA2 H 4.097 0.030 2 1390 157 117 GLY HA3 H 4.053 0.030 2 1391 157 117 GLY C C 174.612 0.300 1 1392 157 117 GLY CA C 44.612 0.300 1 1393 157 117 GLY N N 110.618 0.300 1 1394 158 118 PRO HA H 4.444 0.030 1 1395 158 118 PRO HB2 H 2.245 0.030 2 1396 158 118 PRO HB3 H 1.945 0.030 2 1397 158 118 PRO HG2 H 1.972 0.030 1 1398 158 118 PRO HG3 H 1.972 0.030 1 1399 158 118 PRO HD2 H 3.609 0.030 2 1400 158 118 PRO HD3 H 3.561 0.030 2 1401 158 118 PRO C C 177.373 0.300 1 1402 158 118 PRO CA C 63.121 0.300 1 1403 158 118 PRO CB C 32.122 0.300 1 1404 158 118 PRO CG C 27.092 0.300 1 1405 158 118 PRO CD C 49.675 0.300 1 1406 159 119 SER H H 8.591 0.030 1 1407 159 119 SER HA H 4.422 0.030 1 1408 159 119 SER HB2 H 3.853 0.030 2 1409 159 119 SER HB3 H 3.814 0.030 2 1410 159 119 SER C C 174.707 0.300 1 1411 159 119 SER CA C 58.605 0.300 1 1412 159 119 SER CB C 63.611 0.300 1 1413 159 119 SER N N 116.418 0.300 1 1414 160 120 SER H H 8.368 0.030 1 1415 160 120 SER HA H 4.468 0.030 1 1416 160 120 SER HB2 H 3.818 0.030 1 1417 160 120 SER HB3 H 3.818 0.030 1 1418 160 120 SER C C 173.957 0.300 1 1419 160 120 SER CA C 58.251 0.300 1 1420 160 120 SER CB C 63.923 0.300 1 1421 160 120 SER N N 117.988 0.300 1 1422 161 121 GLY H H 8.100 0.030 1 1423 161 121 GLY HA2 H 3.764 0.030 2 1424 161 121 GLY HA3 H 3.717 0.030 2 1425 161 121 GLY C C 179.028 0.300 1 1426 161 121 GLY CA C 46.007 0.300 1 1427 161 121 GLY N N 116.843 0.300 1 stop_ save_