data_17244 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural basis for histone code recognition by BRPF2-PHD1 finger ; _BMRB_accession_number 17244 _BMRB_flat_file_name bmr17244.str _Entry_type original _Submission_date 2010-10-10 _Accession_date 2010-10-10 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Solution structure of histone H3(1-12)-BRPF2 PHD1 chimeric protein' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Qin Su . . 2 Zhang Jiahai . . 3 Wu Jihui . . 4 Shi Yunyu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 368 "13C chemical shifts" 206 "15N chemical shifts" 82 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-14 update BMRB 'update entry citation' 2012-07-25 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of an atypical PHD finger in BRPF2 and its interaction with DNA.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22820306 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Lei . . 2 Qin Su . . 3 Zhang Jiahai . . 4 Ji Peng . . 5 Shi Yunyu . . 6 Wu Jihui . . stop_ _Journal_abbreviation 'J. Struct. Biol.' _Journal_name_full 'Journal of structural biology' _Journal_volume 180 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 165 _Page_last 173 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PROTEIN _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label BRPF2-PHD1 $BRPF2-PHD1 'Zinc 1' $ZN 'Zinc 2' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_BRPF2-PHD1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common BRPF2-PHD1 _Molecular_mass 8719.837 _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 88 _Mol_residue_sequence ; ARTKQTARKSTGGSSGSSQS LIDEDAVCSICMDGESQNSN VILFCDMCNLAVHQECYGVP YIPEGQWLCRHCLQSRARPA LEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ARG 3 THR 4 LYS 5 GLN 6 THR 7 ALA 8 ARG 9 LYS 10 SER 11 THR 12 GLY 13 GLY 14 SER 15 SER 16 GLY 17 SER 18 SER 19 GLN 20 SER 21 LEU 22 ILE 23 ASP 24 GLU 25 ASP 26 ALA 27 VAL 28 CYS 29 SER 30 ILE 31 CYS 32 MET 33 ASP 34 GLY 35 GLU 36 SER 37 GLN 38 ASN 39 SER 40 ASN 41 VAL 42 ILE 43 LEU 44 PHE 45 CYS 46 ASP 47 MET 48 CYS 49 ASN 50 LEU 51 ALA 52 VAL 53 HIS 54 GLN 55 GLU 56 CYS 57 TYR 58 GLY 59 VAL 60 PRO 61 TYR 62 ILE 63 PRO 64 GLU 65 GLY 66 GLN 67 TRP 68 LEU 69 CYS 70 ARG 71 HIS 72 CYS 73 LEU 74 GLN 75 SER 76 ARG 77 ALA 78 ARG 79 PRO 80 ALA 81 LEU 82 GLU 83 HIS 84 HIS 85 HIS 86 HIS 87 HIS 88 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 BMRB 16721 "BRD1 PHD1 finger" 70.45 71 100.00 100.00 6.14e-38 PDB 2KU3 "Solution Structure Of Brd1 Phd1 Finger" 70.45 71 100.00 100.00 6.14e-38 PDB 2L43 "Structural Basis For Histone Code Recognition By Brpf2-Phd1 Finger" 100.00 88 100.00 100.00 5.10e-58 REF XP_009232775 "PREDICTED: bromodomain-containing protein 1 isoform X1 [Pongo abelii]" 55.68 969 97.96 97.96 5.90e-26 REF XP_009232776 "PREDICTED: bromodomain-containing protein 1 isoform X2 [Pongo abelii]" 55.68 838 97.96 97.96 8.62e-26 REF XP_009232777 "PREDICTED: bromodomain-containing protein 1 isoform X3 [Pongo abelii]" 55.68 803 97.96 97.96 8.65e-26 REF XP_009232778 "PREDICTED: bromodomain-containing protein 1 isoform X4 [Pongo abelii]" 55.68 738 97.96 97.96 4.19e-26 REF XP_009232779 "PREDICTED: bromodomain-containing protein 1 isoform X5 [Pongo abelii]" 55.68 702 97.96 97.96 5.61e-26 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic no _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state 'not present' _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $BRPF2-PHD1 Human 9606 Eukaryota Metazoa Homo sapiens 'brd1, histone H3' 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 $BRPF2-PHD1 'recombinant technology' . Escherichia coli BL21(DE3) pET22b(+) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $BRPF2-PHD1 0.8 mM '[U-100% 13C; U-100% 15N]' $ZN 1.6 mM 'natural abundance' Bis-Tris 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $BRPF2-PHD1 0.8 mM '[U-100% 13C; U-100% 15N]' $ZN 1.6 mM 'natural abundance' Bis-Tris 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'chemical shift calculation' 'data analysis' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 6.7 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D C(CO)NH' '3D HBHA(CO)NH' '3D H(CCO)NH' 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 BRPF2-PHD1 _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 ALA HA H 4.208 0.003 1 2 1 1 ALA HB H 1.474 0.015 9 3 1 1 ALA CA C 51.921 0.055 1 4 1 1 ALA CB C 20.775 0.206 1 5 2 2 ARG H H 10.466 0.004 1 6 2 2 ARG HA H 4.558 0.003 1 7 2 2 ARG HB2 H 1.925 0.017 2 8 2 2 ARG HB3 H 1.925 0.017 2 9 2 2 ARG HD2 H 3.119 0.005 2 10 2 2 ARG HD3 H 3.119 0.005 2 11 2 2 ARG HG2 H 1.768 0.016 2 12 2 2 ARG HG3 H 1.768 0.016 2 13 2 2 ARG CA C 56.301 0.119 1 14 2 2 ARG CB C 31.439 0.058 1 15 2 2 ARG CD C 43.532 0.01 1 16 2 2 ARG CG C 28.154 0.047 1 17 2 2 ARG N N 125.062 0.222 1 18 3 3 THR H H 8.048 0.005 1 19 3 3 THR HA H 4.403 0.002 1 20 3 3 THR HB H 4.227 0.007 1 21 3 3 THR HG2 H 1.173 0.012 9 22 3 3 THR CA C 58.514 0.179 1 23 3 3 THR CB C 72.473 0.089 1 24 3 3 THR CG2 C 22.374 0.068 1 25 3 3 THR N N 112.716 0.167 1 26 4 4 LYS H H 8.569 0.01 1 27 4 4 LYS HA H 4.407 0.002 1 28 4 4 LYS HB2 H 1.849 0.013 2 29 4 4 LYS HB3 H 1.513 0.014 2 30 4 4 LYS CA C 56.968 0.091 1 31 4 4 LYS CB C 33.665 0.216 1 32 4 4 LYS CD C 30.621 0.144 1 33 4 4 LYS CG C 26.172 0.053 1 34 4 4 LYS N N 122.277 0.047 1 35 5 5 GLN H H 9.089 0.006 1 36 5 5 GLN HA H 4.434 0.005 1 37 5 5 GLN HB2 H 2.093 0.014 2 38 5 5 GLN HB3 H 2.093 0.014 2 39 5 5 GLN HE21 H 6.817 0.015 2 40 5 5 GLN HE22 H 7.409 0.015 2 41 5 5 GLN HG2 H 2.37 0.002 2 42 5 5 GLN HG3 H 2.37 0.002 2 43 5 5 GLN CA C 55.931 0.134 1 44 5 5 GLN CB C 29.823 0.012 1 45 5 5 GLN CG C 34.079 0.036 1 46 5 5 GLN N N 127.372 0.228 1 47 5 5 GLN NE2 N 111.945 0.134 1 48 6 6 THR H H 8.328 0.003 1 49 6 6 THR HA H 4.321 0.002 1 50 6 6 THR HB H 4.165 0.004 1 51 6 6 THR HG2 H 1.191 0.012 9 52 6 6 THR CA C 62.236 0.074 1 53 6 6 THR CB C 69.632 0.12 1 54 6 6 THR CG2 C 21.949 0.069 1 55 6 6 THR N N 115.874 0.112 1 56 7 7 ALA H H 8.342 0.008 1 57 7 7 ALA HA H 4.261 0.003 1 58 7 7 ALA HB H 1.329 0.017 9 59 7 7 ALA CA C 52.403 0.179 1 60 7 7 ALA CB C 19.245 0.225 1 61 7 7 ALA N N 126.261 0.039 1 62 8 8 ARG H H 8.109 0.015 1 63 8 8 ARG HA H 4.29 0.003 1 64 8 8 ARG HB2 H 1.755 0.014 2 65 8 8 ARG HB3 H 1.755 0.014 2 66 8 8 ARG HD2 H 3.156 0.005 2 67 8 8 ARG HD3 H 3.156 0.005 2 68 8 8 ARG HG2 H 1.603 0.011 2 69 8 8 ARG HG3 H 1.603 0.011 2 70 8 8 ARG CA C 55.929 0.069 1 71 8 8 ARG CB C 30.805 0.085 1 72 8 8 ARG CD C 43.369 0.01 1 73 8 8 ARG CG C 27.218 0.049 1 74 8 8 ARG N N 121.257 0.043 1 75 9 9 LYS H H 8.47 0.001 1 76 9 9 LYS HA H 4.307 0.002 1 77 9 9 LYS HB2 H 1.753 0.013 2 78 9 9 LYS HB3 H 1.753 0.013 2 79 9 9 LYS HD2 H 1.687 0.01 2 80 9 9 LYS HD3 H 1.687 0.01 2 81 9 9 LYS HE2 H 2.95 0.006 2 82 9 9 LYS HE3 H 2.95 0.006 2 83 9 9 LYS HG2 H 1.402 0.012 2 84 9 9 LYS HG3 H 1.402 0.012 2 85 9 9 LYS CA C 56.214 0.13 1 86 9 9 LYS CB C 33.201 0.052 1 87 9 9 LYS CD C 29.21 0.043 1 88 9 9 LYS CE C 42.608 0.007 1 89 9 9 LYS CG C 24.701 0.059 1 90 9 9 LYS N N 122.978 0.103 1 91 10 10 SER H H 8.502 0.002 1 92 10 10 SER HA H 4.357 0.003 1 93 10 10 SER HB2 H 3.789 0.006 2 94 10 10 SER HB3 H 3.789 0.006 2 95 10 10 SER CA C 58.077 0.056 1 96 10 10 SER CB C 63.83 0.105 1 97 10 10 SER N N 117.502 0.06 1 98 11 11 THR H H 8.024 0.014 1 99 11 11 THR HA H 4.431 0.005 1 100 11 11 THR HB H 3.867 0.004 1 101 11 11 THR HG2 H 1.16 0.012 9 102 11 11 THR CA C 61.908 0.081 1 103 11 11 THR CB C 69.769 0.154 1 104 11 11 THR CG2 C 21.608 0.07 1 105 11 11 THR N N 112.62 0.103 1 106 12 12 GLY H H 8.458 0.004 1 107 12 12 GLY HA2 H 3.97 0.004 2 108 12 12 GLY HA3 H 3.97 0.004 2 109 12 12 GLY CA C 45.622 0.146 1 110 12 12 GLY N N 110.858 0.017 1 111 13 13 GLY H H 8.339 0.009 1 112 13 13 GLY CA C 45.348 0.118 1 113 13 13 GLY N N 109.293 0.188 1 114 15 15 SER CA C 58.674 0.087 1 115 15 15 SER CB C 63.931 0.184 1 116 16 16 GLY H H 8.445 0.002 1 117 16 16 GLY N N 110.791 0.015 1 118 18 18 SER CA C 58.859 0.03 1 119 18 18 SER CB C 63.64 0.031 1 120 19 19 GLN H H 8.425 0.001 1 121 19 19 GLN HA H 4.263 0.004 1 122 19 19 GLN HB2 H 2.006 0.012 2 123 19 19 GLN HB3 H 2.006 0.012 2 124 19 19 GLN HE21 H 7.576 0.001 2 125 19 19 GLN HE22 H 6.877 0.003 2 126 19 19 GLN HG2 H 2.3 0.008 2 127 19 19 GLN HG3 H 2.3 0.008 2 128 19 19 GLN CA C 56.123 0.073 1 129 19 19 GLN CB C 29.552 0.217 1 130 19 19 GLN CG C 33.835 0.123 1 131 19 19 GLN N N 122.101 0.02 1 132 19 19 GLN NE2 N 112.481 0.12 1 133 20 20 SER H H 8.297 0.006 1 134 20 20 SER HA H 4.345 0.002 1 135 20 20 SER HB2 H 3.806 0.005 2 136 20 20 SER HB3 H 3.806 0.005 2 137 20 20 SER CA C 58.74 0.07 1 138 20 20 SER CB C 63.649 0.075 1 139 20 20 SER N N 116.778 0.083 1 140 21 21 LEU H H 8.249 0.004 1 141 21 21 LEU HA H 4.282 0.003 1 142 21 21 LEU HB2 H 1.554 0.015 2 143 21 21 LEU HB3 H 1.554 0.015 2 144 21 21 LEU HD1 H 0.807 0.014 9 145 21 21 LEU HD2 H 0.807 0.014 9 146 21 21 LEU CA C 55.622 0.053 1 147 21 21 LEU CB C 41.902 0.201 1 148 21 21 LEU CD1 C 24.742 0.059 2 149 21 21 LEU CG C 27.312 0.049 1 150 21 21 LEU N N 124.125 0.018 1 151 22 22 ILE H H 7.909 0.004 1 152 22 22 ILE HA H 3.956 0.005 1 153 22 22 ILE HB H 1.687 0.013 1 154 22 22 ILE HG12 H 1.342 0.018 2 155 22 22 ILE HG13 H 1.017 0.013 2 156 22 22 ILE HG2 H 0.717 0.014 9 157 22 22 ILE CA C 61.367 0.092 1 158 22 22 ILE CB C 38.74 0.076 1 159 22 22 ILE CD1 C 17.88 0.085 1 160 22 22 ILE CG1 C 27.532 0.049 1 161 22 22 ILE N N 120.286 0.117 1 162 23 23 ASP H H 8.129 0.001 1 163 23 23 ASP HA H 4.55 0.002 1 164 23 23 ASP HB2 H 3.056 0.008 2 165 23 23 ASP HB3 H 3.056 0.008 2 166 23 23 ASP CA C 55.044 0.083 1 167 23 23 ASP CB C 40.595 0.061 1 168 23 23 ASP N N 122.83 0.184 1 169 24 24 GLU H H 8.186 0.002 1 170 24 24 GLU HA H 4.197 0.003 1 171 24 24 GLU HB2 H 1.958 0.014 2 172 24 24 GLU HB3 H 1.82 0.015 2 173 24 24 GLU CA C 58.311 0.057 1 174 24 24 GLU CB C 29.964 0.054 1 175 24 24 GLU CG C 36.254 0.017 1 176 24 24 GLU N N 120.718 0.015 1 177 25 25 ASP H H 8.112 0.005 1 178 25 25 ASP HA H 4.706 0.002 1 179 25 25 ASP HB2 H 2.73 0.009 2 180 25 25 ASP HB3 H 2.533 0.012 2 181 25 25 ASP CA C 53.766 0.193 1 182 25 25 ASP CB C 41.099 0.043 1 183 25 25 ASP N N 117.784 0.017 1 184 26 26 ALA H H 7.642 0.006 1 185 26 26 ALA HA H 4.221 0.003 1 186 26 26 ALA HB H 1.457 0.015 9 187 26 26 ALA CA C 52.958 0.208 1 188 26 26 ALA CB C 20.05 0.067 1 189 26 26 ALA N N 123.137 0.188 1 190 27 27 VAL H H 8.028 0.006 1 191 27 27 VAL HA H 4.303 0.003 1 192 27 27 VAL HB H 1.408 0.017 1 193 27 27 VAL HG1 H 0.621 0.021 9 194 27 27 VAL HG2 H 0.621 0.021 9 195 27 27 VAL CA C 57.925 0.051 1 196 27 27 VAL CB C 34.739 0.053 1 197 27 27 VAL CG1 C 21.389 0.072 2 198 27 27 VAL CG2 C 17.944 0.084 2 199 27 27 VAL N N 111.974 0.233 1 200 28 28 CYS H H 7.399 0.008 1 201 28 28 CYS HA H 3.756 0.007 1 202 28 28 CYS HB2 H 3.412 0.006 2 203 28 28 CYS HB3 H 1.926 0.013 2 204 28 28 CYS CA C 58.635 0.13 1 205 28 28 CYS CB C 31.514 0.116 1 206 28 28 CYS N N 122.327 0.055 1 207 29 29 SER H H 9.067 0.008 1 208 29 29 SER HA H 4.513 0.002 1 209 29 29 SER HB2 H 3.849 0.004 2 210 29 29 SER HB3 H 3.849 0.004 2 211 29 29 SER CA C 60.567 0.093 1 212 29 29 SER CB C 64.052 0.159 1 213 29 29 SER N N 123.243 0.207 1 214 30 30 ILE H H 9.039 0.011 1 215 30 30 ILE HA H 4.26 0.003 1 216 30 30 ILE HB H 1.727 0.015 1 217 30 30 ILE HG12 H 1.173 0.018 9 218 30 30 ILE HG13 H 1.173 0.018 9 219 30 30 ILE HG2 H 0.964 0.02 9 220 30 30 ILE CA C 64.022 0.096 1 221 30 30 ILE CB C 39.059 0.136 1 222 30 30 ILE CD1 C 14.174 0.158 1 223 30 30 ILE CG1 C 28.867 0.109 1 224 30 30 ILE CG2 C 16.646 0.155 1 225 30 30 ILE N N 123.865 0.07 1 226 31 31 CYS H H 8.087 0.013 1 227 31 31 CYS HA H 4.883 0.001 1 228 31 31 CYS HB2 H 3.192 0.009 2 229 31 31 CYS HB3 H 2.696 0.011 2 230 31 31 CYS CA C 58.785 0.078 1 231 31 31 CYS CB C 31.263 0.077 1 232 31 31 CYS N N 117.809 0.079 1 233 32 32 MET H H 7.997 0.01 1 234 32 32 MET HA H 4.296 0.003 1 235 32 32 MET HB2 H 1.869 0.014 2 236 32 32 MET HB3 H 1.675 0.016 2 237 32 32 MET N N 117.656 0.006 1 238 33 33 ASP H H 8.403 0.011 1 239 33 33 ASP HA H 5.015 0.004 1 240 33 33 ASP HB2 H 3.117 0.007 2 241 33 33 ASP HB3 H 2.657 0.012 2 242 33 33 ASP CA C 53.782 0.163 1 243 33 33 ASP CB C 45.886 0.195 1 244 33 33 ASP N N 121.157 0.017 1 245 34 34 GLY H H 8.679 0.007 1 246 34 34 GLY HA2 H 4.363 0.002 2 247 34 34 GLY HA3 H 3.677 0.005 2 248 34 34 GLY CA C 45.412 0.178 1 249 34 34 GLY N N 111.963 0.142 1 250 35 35 GLU H H 8.614 0.007 1 251 35 35 GLU HA H 4.204 0.003 1 252 35 35 GLU HB2 H 2.079 0.012 2 253 35 35 GLU HB3 H 2.079 0.012 2 254 35 35 GLU HG2 H 2.268 0.008 2 255 35 35 GLU HG3 H 2.268 0.008 2 256 35 35 GLU CA C 57.253 0.067 1 257 35 35 GLU CB C 29.889 0.168 1 258 35 35 GLU CG C 36.584 0.015 1 259 35 35 GLU N N 122.754 0.269 1 260 36 36 SER H H 8.912 0.006 1 261 36 36 SER HA H 4.291 0.003 1 262 36 36 SER HB2 H 4.11 0.003 2 263 36 36 SER HB3 H 4.11 0.003 2 264 36 36 SER CA C 56.866 0.071 1 265 36 36 SER CB C 63.479 0.029 1 266 36 36 SER N N 121.176 0.175 1 267 37 37 GLN H H 7.965 0.003 1 268 37 37 GLN HA H 4.654 0.001 1 269 37 37 GLN HB2 H 2.19 0.013 2 270 37 37 GLN HB3 H 1.829 0.015 2 271 37 37 GLN HG2 H 2.292 0.009 2 272 37 37 GLN HG3 H 2.292 0.009 2 273 37 37 GLN CA C 54.468 0.139 1 274 37 37 GLN CB C 31.369 0.062 1 275 37 37 GLN CG C 33.093 0.028 1 276 37 37 GLN N N 122.149 0.059 1 277 38 38 ASN H H 8.924 0.006 1 278 38 38 ASN HA H 4.236 0.006 1 279 38 38 ASN HB2 H 2.779 0.009 2 280 38 38 ASN HB3 H 2.779 0.009 2 281 38 38 ASN HD21 H 7.695 0.013 2 282 38 38 ASN HD22 H 6.968 0.012 2 283 38 38 ASN CA C 56.078 0.08 1 284 38 38 ASN CB C 37.939 0.044 1 285 38 38 ASN N N 118.834 0.058 1 286 38 38 ASN ND2 N 113.422 0.001 1 287 39 39 SER H H 8.137 0.007 1 288 39 39 SER HA H 4.36 0.002 1 289 39 39 SER HB2 H 3.79 0.006 2 290 39 39 SER HB3 H 3.79 0.006 2 291 39 39 SER CA C 58.835 0.057 1 292 39 39 SER CB C 63.117 0.103 1 293 39 39 SER N N 113.136 0.082 1 294 40 40 ASN H H 8.005 0.007 1 295 40 40 ASN HA H 4.873 0.002 1 296 40 40 ASN HB2 H 2.554 0.01 2 297 40 40 ASN HB3 H 2.554 0.01 2 298 40 40 ASN HD21 H 6.985 0.011 2 299 40 40 ASN HD22 H 6.755 0.01 2 300 40 40 ASN CA C 52.849 0.081 1 301 40 40 ASN CB C 37.542 0.042 1 302 40 40 ASN N N 121.324 0.095 1 303 40 40 ASN ND2 N 111.004 0.001 1 304 41 41 VAL H H 8.569 0.007 1 305 41 41 VAL HA H 4.355 0.003 1 306 41 41 VAL HB H 2.053 0.013 1 307 41 41 VAL HG1 H 0.804 0.021 9 308 41 41 VAL HG2 H 0.694 0.021 9 309 41 41 VAL CA C 61.357 0.246 1 310 41 41 VAL CB C 33.274 0.12 1 311 41 41 VAL CG1 C 21.558 0.104 2 312 41 41 VAL CG2 C 19.366 0.24 2 313 41 41 VAL N N 119.913 0.087 1 314 42 42 ILE H H 8.098 0.01 1 315 42 42 ILE HA H 3.985 0.004 1 316 42 42 ILE HB H 1.077 0.019 1 317 42 42 ILE HD1 H -0.181 0.015 9 318 42 42 ILE HG2 H 0.289 0.013 9 319 42 42 ILE CA C 61.167 0.144 1 320 42 42 ILE CB C 37.995 0.078 1 321 42 42 ILE CD1 C 17.244 0.087 1 322 42 42 ILE CG1 C 30.666 0.037 1 323 42 42 ILE N N 120.873 0.016 1 324 43 43 LEU H H 8.398 0.007 1 325 43 43 LEU HA H 4.53 0.012 1 326 43 43 LEU HB2 H 0.909 0.02 2 327 43 43 LEU HB3 H 0.744 0.02 2 328 43 43 LEU HD1 H -0.284 0.017 9 329 43 43 LEU HD2 H -0.012 0.013 9 330 43 43 LEU HG H 0.805 0.014 1 331 43 43 LEU CA C 53.634 0.185 1 332 43 43 LEU CB C 45.719 0.066 1 333 43 43 LEU CD1 C 26.64 0.052 2 334 43 43 LEU N N 129.196 0.145 1 335 44 44 PHE H H 7.482 0.004 1 336 44 44 PHE HA H 5.724 0.004 1 337 44 44 PHE HB2 H 2.743 0.009 2 338 44 44 PHE HB3 H 2.485 0.01 2 339 44 44 PHE CA C 55.128 0.123 1 340 44 44 PHE CB C 42.023 0.074 1 341 44 44 PHE N N 114.198 0.215 1 342 45 45 CYS H H 9.293 0.007 1 343 45 45 CYS HA H 4.743 0.005 1 344 45 45 CYS HB2 H 3.309 0.007 2 345 45 45 CYS HB3 H 2.755 0.008 2 346 45 45 CYS CA C 59.529 0.166 1 347 45 45 CYS CB C 30.615 0.097 1 348 45 45 CYS N N 124.785 0.176 1 349 46 46 ASP H H 9.396 0.006 1 350 46 46 ASP HA H 4.613 0.004 1 351 46 46 ASP HB2 H 2.732 0.01 2 352 46 46 ASP HB3 H 2.49 0.012 2 353 46 46 ASP CA C 57.908 0.059 1 354 46 46 ASP CB C 42.472 0.085 1 355 46 46 ASP N N 129.807 0.159 1 356 47 47 MET H H 9.164 0.008 1 357 47 47 MET HA H 4.668 0.003 1 358 47 47 MET HB2 H 2.545 0.011 2 359 47 47 MET HB3 H 2.026 0.014 2 360 47 47 MET HG2 H 2.434 0.008 2 361 47 47 MET HG3 H 2.434 0.008 2 362 47 47 MET CA C 57.679 0.071 1 363 47 47 MET CB C 34.917 0.105 1 364 47 47 MET CG C 33.026 0.029 1 365 47 47 MET N N 121.092 0.205 1 366 48 48 CYS H H 8.391 0.006 1 367 48 48 CYS HA H 4.895 0.003 1 368 48 48 CYS HB2 H 3.185 0.009 2 369 48 48 CYS HB3 H 2.467 0.012 2 370 48 48 CYS CA C 59.017 0.101 1 371 48 48 CYS CB C 32.902 0.093 1 372 48 48 CYS N N 119.659 0.087 1 373 49 49 ASN H H 8.069 0.011 1 374 49 49 ASN HA H 4.717 0.015 1 375 49 49 ASN HB2 H 2.947 0.008 2 376 49 49 ASN HB3 H 2.79 0.008 2 377 49 49 ASN HD21 H 6.779 0.009 2 378 49 49 ASN HD22 H 7.61 0.008 2 379 49 49 ASN CA C 55.373 0.13 1 380 49 49 ASN CB C 39.609 0.085 1 381 49 49 ASN N N 119.172 0.004 1 382 49 49 ASN ND2 N 112.521 0.001 1 383 50 50 LEU H H 8.65 0.006 1 384 50 50 LEU HA H 3.998 0.004 1 385 50 50 LEU HB2 H 1.996 0.012 2 386 50 50 LEU HB3 H 1.496 0.018 2 387 50 50 LEU HD1 H 0.901 0.02 9 388 50 50 LEU HD2 H 0.768 0.02 9 389 50 50 LEU HG H 1.321 0.018 1 390 50 50 LEU CA C 57.562 0.101 1 391 50 50 LEU CB C 44.02 0.058 1 392 50 50 LEU CD1 C 26.414 0.053 2 393 50 50 LEU N N 123.831 0.103 1 394 51 51 ALA H H 8.242 0.007 1 395 51 51 ALA HA H 5.219 0.005 1 396 51 51 ALA HB H 0.871 0.018 9 397 51 51 ALA CA C 49.355 0.055 1 398 51 51 ALA CB C 20.516 0.22 1 399 51 51 ALA N N 129.019 0.234 1 400 52 52 VAL H H 8.474 0.008 1 401 52 52 VAL HA H 5.366 0.002 1 402 52 52 VAL HB H 1.93 0.013 1 403 52 52 VAL HG1 H 0.706 0.014 9 404 52 52 VAL HG2 H 0.249 0.015 9 405 52 52 VAL CA C 58.27 0.062 1 406 52 52 VAL CB C 37.734 0.11 1 407 52 52 VAL CG1 C 23.648 0.063 2 408 52 52 VAL N N 116.019 0.128 1 409 53 53 HIS H H 9.221 0.006 1 410 53 53 HIS HA H 4.595 0.001 1 411 53 53 HIS HB2 H 3.073 0.009 2 412 53 53 HIS HB3 H 3.073 0.009 2 413 53 53 HIS CA C 58.764 0.078 1 414 53 53 HIS CB C 31.792 0.076 1 415 53 53 HIS N N 119.567 0.12 1 416 54 54 GLN H H 8.681 0.013 1 417 54 54 GLN HA H 3.676 0.005 1 418 54 54 GLN HB2 H 2.439 0.012 2 419 54 54 GLN HB3 H 2.231 0.017 2 420 54 54 GLN HE21 H 7.035 0.008 2 421 54 54 GLN HE22 H 6.534 0.01 2 422 54 54 GLN HG2 H 2.521 0.007 2 423 54 54 GLN HG3 H 2.521 0.007 2 424 54 54 GLN CA C 60.579 0.096 1 425 54 54 GLN CB C 31.387 0.105 1 426 54 54 GLN CG C 36.048 0.017 1 427 54 54 GLN N N 121.462 0.016 1 428 54 54 GLN NE2 N 107.118 0.001 1 429 55 55 GLU H H 8.985 0.007 1 430 55 55 GLU HA H 4.106 0.003 1 431 55 55 GLU HB2 H 1.987 0.014 2 432 55 55 GLU HB3 H 1.827 0.013 2 433 55 55 GLU HG2 H 2.119 0.009 2 434 55 55 GLU HG3 H 2.119 0.009 2 435 55 55 GLU CA C 58.774 0.068 1 436 55 55 GLU CB C 29.605 0.011 1 437 55 55 GLU CG C 36.55 0.016 1 438 55 55 GLU N N 116.776 0.066 1 439 56 56 CYS H H 6.641 0.006 1 440 56 56 CYS HA H 4.13 0.004 1 441 56 56 CYS HB2 H 2.845 0.009 2 442 56 56 CYS HB3 H 3.075 0.008 2 443 56 56 CYS CA C 62.879 0.137 1 444 56 56 CYS CB C 29.932 0.19 1 445 56 56 CYS N N 115.959 0.134 1 446 57 57 TYR H H 7.818 0.007 1 447 57 57 TYR HA H 4.489 0.002 1 448 57 57 TYR HB2 H 2.693 0.011 2 449 57 57 TYR HB3 H 2.693 0.011 2 450 57 57 TYR CA C 58.068 0.084 1 451 57 57 TYR CB C 41.67 0.166 1 452 57 57 TYR N N 117.26 0.054 1 453 58 58 GLY H H 7.776 0.008 1 454 58 58 GLY HA2 H 4.244 0.003 2 455 58 58 GLY HA3 H 4.244 0.003 2 456 58 58 GLY CA C 46.79 0.043 1 457 58 58 GLY N N 107.988 0.167 1 458 59 59 VAL H H 8.287 0.012 1 459 59 59 VAL CA C 58.297 0.071 1 460 59 59 VAL CB C 32.443 0.036 1 461 59 59 VAL CG1 C 23.293 0.117 2 462 59 59 VAL CG2 C 18.184 0.172 2 463 59 59 VAL N N 122.37 0.049 1 464 60 60 PRO HA H 4.24 0.003 1 465 60 60 PRO HB2 H 2.132 0.012 2 466 60 60 PRO HB3 H 1.713 0.016 2 467 60 60 PRO HD2 H 3.673 0.009 2 468 60 60 PRO HD3 H 3.673 0.009 2 469 60 60 PRO HG2 H 1.961 0.009 2 470 60 60 PRO HG3 H 1.961 0.009 2 471 60 60 PRO CA C 64.46 0.077 1 472 60 60 PRO CB C 32.059 0.11 1 473 60 60 PRO CD C 50.731 0.037 1 474 60 60 PRO CG C 27.279 0.049 1 475 61 61 TYR H H 7.116 0.007 1 476 61 61 TYR HA H 4.679 0.001 1 477 61 61 TYR HB2 H 2.942 0.008 2 478 61 61 TYR HB3 H 2.758 0.01 2 479 61 61 TYR CA C 55.425 0.087 1 480 61 61 TYR CB C 40.145 0.108 1 481 61 61 TYR N N 114.766 0.199 1 482 62 62 ILE H H 8.784 0.006 1 483 62 62 ILE HA H 4.035 0.004 1 484 62 62 ILE HB H 1.719 0.015 1 485 62 62 ILE CA C 61.526 0.075 1 486 62 62 ILE CB C 37.099 0.036 1 487 62 62 ILE CD1 C 12.738 0.214 1 488 62 62 ILE CG1 C 29.813 0.043 1 489 62 62 ILE CG2 C 17.903 0.13 1 490 62 62 ILE N N 124.688 0.167 1 491 63 63 PRO HA H 4.482 0.002 1 492 63 63 PRO HB2 H 1.964 0.012 2 493 63 63 PRO HB3 H 2.345 0.011 2 494 63 63 PRO HD2 H 3.294 0.005 2 495 63 63 PRO HG2 H 2.194 0.008 2 496 63 63 PRO HG3 H 2.194 0.008 2 497 63 63 PRO CA C 62.541 0.083 1 498 63 63 PRO CB C 31.912 0.167 1 499 63 63 PRO CD C 50.4 0.035 1 500 63 63 PRO CG C 27.863 0.047 1 501 64 64 GLU H H 8.664 0.006 1 502 64 64 GLU HA H 4.08 0.005 1 503 64 64 GLU HB2 H 1.973 0.012 2 504 64 64 GLU HB3 H 1.973 0.012 2 505 64 64 GLU HG2 H 2.301 0.009 2 506 64 64 GLU HG3 H 2.301 0.009 2 507 64 64 GLU CA C 58.271 0.116 1 508 64 64 GLU CB C 29.976 0.053 1 509 64 64 GLU CG C 36.463 0.016 1 510 64 64 GLU N N 120.672 0.176 1 511 65 65 GLY H H 8.162 0.007 1 512 65 65 GLY HA2 H 4.285 0.003 2 513 65 65 GLY HA3 H 3.675 0.004 2 514 65 65 GLY CA C 43.861 0.076 1 515 65 65 GLY N N 108.18 0.157 1 516 66 66 GLN H H 8.266 0.001 1 517 66 66 GLN HA H 4.348 0.002 1 518 66 66 GLN HB2 H 2.228 0.013 2 519 66 66 GLN HB3 H 1.913 0.015 2 520 66 66 GLN HE21 H 7.609 0.009 2 521 66 66 GLN HE22 H 6.783 0.008 2 522 66 66 GLN CA C 56.863 0.048 1 523 66 66 GLN CB C 30.165 0.073 1 524 66 66 GLN CG C 34.316 0.024 1 525 66 66 GLN N N 119.582 0.079 1 526 66 66 GLN NE2 N 111.564 0.001 1 527 67 67 TRP H H 8.983 0.009 1 528 67 67 TRP HA H 4.548 0.002 1 529 67 67 TRP HB2 H 3.534 0.013 2 530 67 67 TRP HB3 H 2.707 0.01 2 531 67 67 TRP HE1 H 9.951 0.008 1 532 67 67 TRP CA C 59.658 0.102 1 533 67 67 TRP CB C 30.538 0.175 1 534 67 67 TRP N N 124.059 0.041 1 535 67 67 TRP NE1 N 129.82 0.059 1 536 68 68 LEU H H 6.675 0.006 1 537 68 68 LEU HA H 5.141 0.003 1 538 68 68 LEU HB2 H 1.227 0.018 2 539 68 68 LEU HB3 H 1.002 0.021 2 540 68 68 LEU HD1 H 0.809 0.02 9 541 68 68 LEU HD2 H 0.704 0.02 9 542 68 68 LEU HG H 1.395 0.017 1 543 68 68 LEU CA C 51.957 0.216 1 544 68 68 LEU CB C 45.526 0.123 1 545 68 68 LEU CD1 C 25.456 0.056 2 546 68 68 LEU CD2 C 28.427 0.045 2 547 68 68 LEU N N 125.701 0.228 1 548 69 69 CYS H H 8.704 0.009 1 549 69 69 CYS HA H 3.845 0.005 1 550 69 69 CYS HB2 H 3.347 0.008 2 551 69 69 CYS HB3 H 2.29 0.013 2 552 69 69 CYS CA C 57.633 0.073 1 553 69 69 CYS CB C 30.702 0.102 1 554 69 69 CYS N N 122.133 0.062 1 555 70 70 ARG H H 8.494 0.011 1 556 70 70 ARG HA H 3.851 0.005 1 557 70 70 ARG HB2 H 1.773 0.016 2 558 70 70 ARG HB3 H 1.773 0.016 2 559 70 70 ARG HD2 H 3.208 0.006 2 560 70 70 ARG HD3 H 3.021 0.006 2 561 70 70 ARG HG2 H 1.796 0.01 2 562 70 70 ARG HG3 H 1.796 0.01 2 563 70 70 ARG CA C 60.077 0.097 1 564 70 70 ARG CB C 30.491 0.016 1 565 70 70 ARG CD C 43.446 0.01 1 566 70 70 ARG CG C 30.098 0.039 1 567 70 70 ARG N N 115.453 0.036 1 568 71 71 HIS H H 7.947 0.013 1 569 71 71 HIS HA H 4.37 0.003 1 570 71 71 HIS HB2 H 3.306 0.007 2 571 71 71 HIS HB3 H 3.306 0.007 2 572 71 71 HIS CA C 59.549 0.152 1 573 71 71 HIS CB C 29.93 0.121 1 574 71 71 HIS N N 118.765 0.085 1 575 72 72 CYS H H 8.732 0.01 1 576 72 72 CYS HA H 3.767 0.005 1 577 72 72 CYS HB2 H 3.005 0.009 2 578 72 72 CYS HB3 H 2.603 0.012 2 579 72 72 CYS CA C 65.113 0.071 1 580 72 72 CYS CB C 29.289 0.068 1 581 72 72 CYS N N 126.541 0.158 1 582 73 73 LEU H H 8.309 0.011 1 583 73 73 LEU HA H 3.833 0.006 1 584 73 73 LEU HB2 H 1.554 0.016 2 585 73 73 LEU HB3 H 1.421 0.016 2 586 73 73 LEU HD1 H 0.758 0.013 9 587 73 73 LEU HD2 H 0.758 0.013 9 588 73 73 LEU HG H 1.448 0.011 1 589 73 73 LEU CA C 57.622 0.102 1 590 73 73 LEU CB C 42.193 0.163 1 591 73 73 LEU CD1 C 24.698 0.06 2 592 73 73 LEU N N 119.954 0.01 1 593 74 74 GLN H H 7.447 0.006 1 594 74 74 GLN HA H 4.103 0.004 1 595 74 74 GLN HB2 H 2.074 0.012 2 596 74 74 GLN HB3 H 2.074 0.012 2 597 74 74 GLN HE21 H 6.849 0.007 2 598 74 74 GLN HE22 H 7.558 0.006 2 599 74 74 GLN HG2 H 2.404 0.009 2 600 74 74 GLN HG3 H 2.404 0.009 2 601 74 74 GLN CA C 57.383 0.105 1 602 74 74 GLN CB C 28.582 0.088 1 603 74 74 GLN CG C 34.096 0.024 1 604 74 74 GLN N N 116.793 0.09 1 605 74 74 GLN NE2 N 113.234 0.019 1 606 75 75 SER H H 7.717 0.005 1 607 75 75 SER HA H 4.3 0.002 1 608 75 75 SER HB2 H 3.802 0.005 2 609 75 75 SER HB3 H 3.802 0.005 2 610 75 75 SER CA C 59.598 0.156 1 611 75 75 SER CB C 63.228 0.135 1 612 75 75 SER N N 114.67 0.192 1 613 76 76 ARG H H 7.725 0.006 1 614 76 76 ARG HA H 4.208 0.003 1 615 76 76 ARG HB2 H 1.804 0.013 2 616 76 76 ARG HB3 H 1.723 0.015 2 617 76 76 ARG HD2 H 3.077 0.005 2 618 76 76 ARG HD3 H 3.077 0.005 2 619 76 76 ARG HG2 H 1.617 0.01 2 620 76 76 ARG HG3 H 1.617 0.01 2 621 76 76 ARG CA C 56.311 0.084 1 622 76 76 ARG CB C 30.537 0.099 1 623 76 76 ARG CD C 43.388 0.01 1 624 76 76 ARG CG C 26.832 0.052 1 625 76 76 ARG N N 121.383 0.155 1 626 77 77 ALA H H 7.872 0.003 1 627 77 77 ALA HA H 4.324 0.003 1 628 77 77 ALA HB H 1.358 0.015 9 629 77 77 ALA CA C 52.45 0.177 1 630 77 77 ALA CB C 19.385 0.179 1 631 77 77 ALA N N 123.404 0.089 1 632 78 78 ARG H H 8.384 0.003 1 633 78 78 ARG CA C 56.031 0.000 1 634 78 78 ARG CB C 30.581 0.000 1 635 78 78 ARG N N 120.609 0.146 1 636 79 79 PRO HA H 4.342 0.002 1 637 79 79 PRO HB2 H 2.243 0.011 2 638 79 79 PRO HB3 H 1.823 0.014 2 639 79 79 PRO HD2 H 3.742 0.003 2 640 79 79 PRO HD3 H 3.562 0.004 2 641 79 79 PRO HG2 H 1.938 0.009 2 642 79 79 PRO HG3 H 1.938 0.009 2 643 79 79 PRO CA C 63.014 0.115 1 644 79 79 PRO CB C 32.115 0.118 1 645 79 79 PRO CD C 50.402 0.036 1 646 79 79 PRO CG C 27.668 0.048 1 647 80 80 ALA H H 8.412 0.002 1 648 80 80 ALA HA H 4.221 0.003 1 649 80 80 ALA HB H 1.323 0.015 9 650 80 80 ALA CA C 52.351 0.117 1 651 80 80 ALA CB C 19.112 0.205 1 652 80 80 ALA N N 124.231 0.232 1 653 81 81 LEU H H 8.209 0.002 1 654 81 81 LEU CA C 55.065 0.000 1 655 81 81 LEU CB C 42.385 0.000 1 656 81 81 LEU N N 121.136 0.172 1 stop_ save_