data_25037 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of N terminal domain of the MuB AAA+ ATPase ; _BMRB_accession_number 25037 _BMRB_flat_file_name bmr25037.str _Entry_type original _Submission_date 2014-06-23 _Accession_date 2014-06-23 _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 Lopez-Mendez Blanca . . 2 Dramicanin Marija . . 3 Campos-Olivas Ramon . . 4 Ramon-Maiques Santiago . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 382 "13C chemical shifts" 183 "15N chemical shifts" 68 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-06-29 original BMRB . stop_ _Original_release_date 2015-06-29 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of N terminal domain of the MuB AAA+ ATPase ; _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 Dramicanin Marija . . 2 Lopez-Mendez Blanca . . 3 Campos-Olivas Ramon . . 4 Ramon-Maiques Santiago . . stop_ _Journal_abbreviation 'To be Published' _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 'N terminal domain of the MuB AAA+ ATPase' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MuB-NTD $MuB-NTD 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_MuB-NTD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MuB-NTD _Molecular_mass 7353.184 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 65 _Mol_residue_sequence ; GPMNISDIRAGLRTLVENEE TTFKQIALESGLSTGTISSF INDKYNGDNERVSQTLQRWL EKYHA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 GLY 2 0 PRO 3 1 MET 4 2 ASN 5 3 ILE 6 4 SER 7 5 ASP 8 6 ILE 9 7 ARG 10 8 ALA 11 9 GLY 12 10 LEU 13 11 ARG 14 12 THR 15 13 LEU 16 14 VAL 17 15 GLU 18 16 ASN 19 17 GLU 20 18 GLU 21 19 THR 22 20 THR 23 21 PHE 24 22 LYS 25 23 GLN 26 24 ILE 27 25 ALA 28 26 LEU 29 27 GLU 30 28 SER 31 29 GLY 32 30 LEU 33 31 SER 34 32 THR 35 33 GLY 36 34 THR 37 35 ILE 38 36 SER 39 37 SER 40 38 PHE 41 39 ILE 42 40 ASN 43 41 ASP 44 42 LYS 45 43 TYR 46 44 ASN 47 45 GLY 48 46 ASP 49 47 ASN 50 48 GLU 51 49 ARG 52 50 VAL 53 51 SER 54 52 GLN 55 53 THR 56 54 LEU 57 55 GLN 58 56 ARG 59 57 TRP 60 58 LEU 61 59 GLU 62 60 LYS 63 61 TYR 64 62 HIS 65 63 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 2MQK "Solution Structure Of N Terminal Domain Of The Mub Aaa+ Atpase" 100.00 65 100.00 100.00 3.58e-39 EMBL CAA25599 "unnamed protein product [Enterobacteria phage Mu]" 96.92 312 98.41 98.41 5.11e-34 EMBL CDP68213 "DNA transposition protein B [Escherichia coli D6-113.11]" 96.92 312 98.41 98.41 5.28e-34 EMBL CDU35404 "DNA transposition protein B [Escherichia coli D6-113.11]" 96.92 312 98.41 98.41 5.28e-34 EMBL CTU52180 "putative phage DNA transposition protein [Escherichia coli]" 96.92 312 98.41 98.41 5.28e-34 EMBL CTV64249 "putative phage DNA transposition protein [Escherichia coli]" 96.92 312 98.41 98.41 5.11e-34 GB AAA32370 "enhancer protein, partial [Enterobacteria phage Mu]" 96.92 302 98.41 98.41 3.93e-34 GB AAA32382 "B [Enterobacteria phage Mu]" 96.92 312 98.41 98.41 5.11e-34 GB AAF01100 "B [Enterobacteria phage Mu]" 96.92 312 98.41 98.41 5.11e-34 GB AAW58941 "B protein [Cloning vector MuNXKan]" 96.92 312 98.41 98.41 5.11e-34 GB ACV50263 "DNA transposition protein B [Escherichia phage D108]" 96.92 312 98.41 98.41 5.28e-34 REF NP_050608 "DNA transposition protein [Enterobacteria phage Mu]" 96.92 312 98.41 98.41 5.11e-34 REF WP_001026707 "transposase [Escherichia coli]" 96.92 312 98.41 98.41 5.45e-34 REF WP_001026708 "transposase [Escherichia coli]" 96.92 312 98.41 98.41 5.22e-34 REF WP_001026709 "transposase [Escherichia coli]" 96.92 312 98.41 98.41 5.68e-34 REF WP_001026710 "MULTISPECIES: transposase [Enterobacteriaceae]" 96.92 312 98.41 98.41 5.11e-34 SP P03763 "RecName: Full=ATP-dependent target DNA activator B; AltName: Full=Gene product 04; Short=gp04; AltName: Full=Gene product B; Sh" 96.92 312 98.41 98.41 5.11e-34 SP P13771 "RecName: Full=ATP-dependent target DNA activator B; AltName: Full=Gene product B; Short=gpB; AltName: Full=MuB [Escherichia pha" 96.92 312 98.41 98.41 5.28e-34 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MuB-NTD 'Enterobacteria phage Mu' 10677 Viruses . bacteriophage Mu 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 $MuB-NTD 'recombinant technology' . Escherichia coli . pOPINB 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 $MuB-NTD 500 uM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MuB-NTD 500 uM '[U-98% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.2.6 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_OPAL _Saveframe_category software _Name OPAL _Version 1.4 loop_ _Vendor _Address _Electronic_address 'Luginbuhl, Guntert, Billeter and Wuthrich' . . stop_ loop_ _Task refinement stop_ _Details . save_ 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_CCPN _Saveframe_category software _Name CCPN _Version 2.3.1 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_TALOS+ _Saveframe_category software _Name TALOS+ _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'backbone torsion angle restraint generation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_HNHA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 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' 100 . mM pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D HNHA' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name MuB-NTD _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 GLY HA2 H 3.969 0.020 1 2 -1 1 GLY HA3 H 3.969 0.020 1 3 -1 1 GLY CA C 43.425 0.400 1 4 0 2 PRO HA H 4.556 0.020 1 5 0 2 PRO HB2 H 2.343 0.020 2 6 0 2 PRO HB3 H 1.967 0.020 2 7 0 2 PRO HG2 H 2.067 0.020 1 8 0 2 PRO HG3 H 2.067 0.020 1 9 0 2 PRO HD2 H 3.598 0.020 1 10 0 2 PRO HD3 H 3.598 0.020 1 11 0 2 PRO CA C 63.199 0.400 1 12 0 2 PRO CB C 32.310 0.400 1 13 0 2 PRO CG C 27.223 0.400 1 14 0 2 PRO CD C 49.695 0.400 1 15 1 3 MET H H 8.665 0.020 1 16 1 3 MET HA H 4.507 0.020 1 17 1 3 MET HB2 H 2.069 0.020 2 18 1 3 MET HB3 H 1.925 0.020 2 19 1 3 MET HG2 H 2.611 0.020 1 20 1 3 MET HG3 H 2.611 0.020 1 21 1 3 MET HE H 2.093 0.020 1 22 1 3 MET CB C 34.854 0.400 1 23 1 3 MET CG C 32.519 0.400 1 24 1 3 MET CE C 17.048 0.400 1 25 1 3 MET N N 122.140 0.400 1 26 2 4 ASN H H 8.927 0.020 1 27 2 4 ASN HA H 4.807 0.020 1 28 2 4 ASN HB2 H 2.947 0.020 1 29 2 4 ASN HB3 H 2.947 0.020 1 30 2 4 ASN HD21 H 7.689 0.020 2 31 2 4 ASN HD22 H 6.977 0.020 2 32 2 4 ASN CB C 39.205 0.400 1 33 2 4 ASN N N 121.514 0.400 1 34 2 4 ASN ND2 N 113.453 0.400 1 35 3 5 ILE H H 8.721 0.020 1 36 3 5 ILE HA H 3.959 0.020 1 37 3 5 ILE HB H 1.990 0.020 1 38 3 5 ILE HG12 H 1.989 0.020 2 39 3 5 ILE HG13 H 1.845 0.020 2 40 3 5 ILE HG2 H 1.030 0.020 1 41 3 5 ILE HD1 H 1.031 0.020 1 42 3 5 ILE CA C 65.293 0.400 1 43 3 5 ILE CB C 38.104 0.400 1 44 3 5 ILE CG1 C 29.636 0.400 1 45 3 5 ILE CG2 C 17.174 0.400 1 46 3 5 ILE CD1 C 14.048 0.400 1 47 3 5 ILE N N 123.748 0.400 1 48 4 6 SER H H 8.386 0.020 1 49 4 6 SER HA H 4.147 0.020 1 50 4 6 SER HB2 H 3.949 0.020 1 51 4 6 SER HB3 H 3.949 0.020 1 52 4 6 SER CA C 61.528 0.400 1 53 4 6 SER CB C 62.284 0.400 1 54 4 6 SER N N 115.783 0.400 1 55 5 7 ASP H H 7.855 0.020 1 56 5 7 ASP HA H 4.623 0.020 1 57 5 7 ASP HB2 H 2.917 0.020 2 58 5 7 ASP HB3 H 2.763 0.020 2 59 5 7 ASP CB C 40.842 0.400 1 60 5 7 ASP N N 122.493 0.400 1 61 6 8 ILE H H 8.048 0.020 1 62 6 8 ILE HA H 3.797 0.020 1 63 6 8 ILE HB H 2.223 0.020 1 64 6 8 ILE HG12 H 1.786 0.020 2 65 6 8 ILE HG13 H 1.150 0.020 2 66 6 8 ILE HG2 H 1.085 0.020 1 67 6 8 ILE HD1 H 0.988 0.020 1 68 6 8 ILE CA C 64.772 0.400 1 69 6 8 ILE CB C 38.324 0.400 1 70 6 8 ILE CG1 C 29.390 0.400 1 71 6 8 ILE CG2 C 17.665 0.400 1 72 6 8 ILE CD1 C 14.073 0.400 1 73 6 8 ILE N N 123.982 0.400 1 74 7 9 ARG H H 8.285 0.020 1 75 7 9 ARG HA H 3.817 0.020 1 76 7 9 ARG HB2 H 1.537 0.020 2 77 7 9 ARG HB3 H 1.095 0.020 2 78 7 9 ARG HG2 H 1.855 0.020 2 79 7 9 ARG HG3 H 1.791 0.020 2 80 7 9 ARG HD2 H 3.074 0.020 1 81 7 9 ARG HD3 H 3.074 0.020 1 82 7 9 ARG HE H 6.182 0.020 1 83 7 9 ARG CA C 59.732 0.400 1 84 7 9 ARG CB C 30.047 0.400 1 85 7 9 ARG CG C 27.752 0.400 1 86 7 9 ARG CD C 43.296 0.400 1 87 7 9 ARG N N 118.105 0.400 1 88 7 9 ARG NE N 84.106 0.400 1 89 8 10 ALA H H 8.093 0.020 1 90 8 10 ALA HA H 4.123 0.020 1 91 8 10 ALA HB H 1.564 0.020 1 92 8 10 ALA CA C 55.093 0.400 1 93 8 10 ALA CB C 18.553 0.400 1 94 8 10 ALA N N 118.807 0.400 1 95 9 11 GLY H H 8.358 0.020 1 96 9 11 GLY HA2 H 3.829 0.020 2 97 9 11 GLY HA3 H 3.951 0.020 2 98 9 11 GLY CA C 47.084 0.400 1 99 9 11 GLY N N 107.079 0.400 1 100 10 12 LEU H H 8.116 0.020 1 101 10 12 LEU HA H 4.130 0.020 1 102 10 12 LEU HB2 H 1.407 0.020 2 103 10 12 LEU HB3 H 2.071 0.020 2 104 10 12 LEU HG H 2.118 0.020 1 105 10 12 LEU HD1 H 1.019 0.020 2 106 10 12 LEU HD2 H 0.954 0.020 2 107 10 12 LEU CA C 57.979 0.400 1 108 10 12 LEU CB C 42.652 0.400 1 109 10 12 LEU CG C 27.522 0.400 1 110 10 12 LEU CD1 C 28.090 0.400 1 111 10 12 LEU CD2 C 24.461 0.400 1 112 10 12 LEU N N 121.077 0.400 1 113 11 13 ARG H H 8.472 0.020 1 114 11 13 ARG HA H 3.803 0.020 1 115 11 13 ARG HB2 H 1.985 0.020 1 116 11 13 ARG HB3 H 1.985 0.020 1 117 11 13 ARG HG2 H 1.743 0.020 2 118 11 13 ARG HG3 H 1.571 0.020 2 119 11 13 ARG HD2 H 3.226 0.020 1 120 11 13 ARG HD3 H 3.226 0.020 1 121 11 13 ARG CA C 60.425 0.400 1 122 11 13 ARG CB C 30.321 0.400 1 123 11 13 ARG CG C 27.755 0.400 1 124 11 13 ARG CD C 43.461 0.400 1 125 11 13 ARG N N 118.227 0.400 1 126 12 14 THR H H 8.180 0.020 1 127 12 14 THR HA H 3.965 0.020 1 128 12 14 THR HB H 4.232 0.020 1 129 12 14 THR HG2 H 1.299 0.020 1 130 12 14 THR CA C 66.730 0.400 1 131 12 14 THR CB C 69.178 0.400 1 132 12 14 THR CG2 C 21.682 0.400 1 133 12 14 THR N N 114.121 0.400 1 134 13 15 LEU H H 7.156 0.020 1 135 13 15 LEU HA H 4.100 0.020 1 136 13 15 LEU HB2 H 1.160 0.020 2 137 13 15 LEU HB3 H 1.917 0.020 2 138 13 15 LEU HG H 1.915 0.020 1 139 13 15 LEU HD1 H 0.576 0.020 2 140 13 15 LEU HD2 H 0.750 0.020 2 141 13 15 LEU CA C 58.068 0.400 1 142 13 15 LEU CB C 43.019 0.400 1 143 13 15 LEU CG C 26.522 0.400 1 144 13 15 LEU CD1 C 26.257 0.400 1 145 13 15 LEU CD2 C 22.997 0.400 1 146 13 15 LEU N N 119.606 0.400 1 147 14 16 VAL H H 7.785 0.020 1 148 14 16 VAL HA H 3.808 0.020 1 149 14 16 VAL HB H 1.923 0.020 1 150 14 16 VAL HG1 H 0.568 0.020 2 151 14 16 VAL HG2 H 0.589 0.020 2 152 14 16 VAL CA C 65.464 0.400 1 153 14 16 VAL CB C 31.895 0.400 1 154 14 16 VAL CG1 C 22.077 0.400 1 155 14 16 VAL CG2 C 21.010 0.400 1 156 14 16 VAL N N 117.777 0.400 1 157 15 17 GLU H H 8.961 0.020 1 158 15 17 GLU HA H 4.069 0.020 1 159 15 17 GLU HB2 H 2.171 0.020 2 160 15 17 GLU HB3 H 2.061 0.020 2 161 15 17 GLU HG2 H 2.497 0.020 2 162 15 17 GLU HG3 H 2.336 0.020 2 163 15 17 GLU CA C 57.624 0.400 1 164 15 17 GLU CB C 29.196 0.400 1 165 15 17 GLU CG C 37.098 0.400 1 166 15 17 GLU N N 123.041 0.400 1 167 16 18 ASN H H 7.863 0.020 1 168 16 18 ASN HA H 4.827 0.020 1 169 16 18 ASN HB2 H 3.108 0.020 2 170 16 18 ASN HB3 H 2.940 0.020 2 171 16 18 ASN HD21 H 7.863 0.020 2 172 16 18 ASN HD22 H 6.913 0.020 2 173 16 18 ASN CB C 38.526 0.400 1 174 16 18 ASN N N 114.935 0.400 1 175 16 18 ASN ND2 N 112.250 0.400 1 176 17 19 GLU H H 8.008 0.020 1 177 17 19 GLU HA H 4.070 0.020 1 178 17 19 GLU HB2 H 2.201 0.020 1 179 17 19 GLU HB3 H 2.201 0.020 1 180 17 19 GLU HG2 H 2.342 0.020 2 181 17 19 GLU HG3 H 2.278 0.020 2 182 17 19 GLU CA C 57.624 0.400 1 183 17 19 GLU CB C 29.144 0.400 1 184 17 19 GLU CG C 36.388 0.400 1 185 17 19 GLU N N 113.841 0.400 1 186 18 20 GLU H H 8.517 0.020 1 187 18 20 GLU HA H 4.310 0.020 1 188 18 20 GLU HB2 H 1.957 0.020 1 189 18 20 GLU HB3 H 1.957 0.020 1 190 18 20 GLU HG2 H 2.299 0.020 2 191 18 20 GLU HG3 H 2.354 0.020 2 192 18 20 GLU CA C 58.253 0.400 1 193 18 20 GLU CB C 30.377 0.400 1 194 18 20 GLU CG C 37.296 0.400 1 195 18 20 GLU N N 117.787 0.400 1 196 19 21 THR H H 7.457 0.020 1 197 19 21 THR HA H 4.562 0.020 1 198 19 21 THR HB H 4.212 0.020 1 199 19 21 THR HG2 H 0.821 0.020 1 200 19 21 THR CB C 68.196 0.400 1 201 19 21 THR CG2 C 19.903 0.400 1 202 19 21 THR N N 110.292 0.400 1 203 20 22 THR H H 8.188 0.020 1 204 20 22 THR HA H 4.633 0.020 1 205 20 22 THR HB H 4.507 0.020 1 206 20 22 THR HG2 H 1.217 0.020 1 207 20 22 THR CG2 C 21.641 0.400 1 208 20 22 THR N N 109.626 0.400 1 209 21 23 PHE H H 8.714 0.020 1 210 21 23 PHE HA H 4.238 0.020 1 211 21 23 PHE HB2 H 3.032 0.020 2 212 21 23 PHE HB3 H 3.103 0.020 2 213 21 23 PHE HD1 H 7.144 0.020 1 214 21 23 PHE HD2 H 7.144 0.020 1 215 21 23 PHE HE1 H 7.282 0.020 1 216 21 23 PHE HE2 H 7.282 0.020 1 217 21 23 PHE HZ H 7.346 0.020 1 218 21 23 PHE CA C 60.267 0.400 1 219 21 23 PHE CB C 37.796 0.400 1 220 21 23 PHE N N 118.935 0.400 1 221 22 24 LYS H H 8.234 0.020 1 222 22 24 LYS HA H 3.881 0.020 1 223 22 24 LYS HB2 H 1.879 0.020 2 224 22 24 LYS HB3 H 1.794 0.020 2 225 22 24 LYS HG2 H 1.531 0.020 2 226 22 24 LYS HG3 H 1.426 0.020 2 227 22 24 LYS HD2 H 1.704 0.020 1 228 22 24 LYS HD3 H 1.704 0.020 1 229 22 24 LYS HE2 H 3.014 0.020 1 230 22 24 LYS HE3 H 3.014 0.020 1 231 22 24 LYS CA C 59.589 0.400 1 232 22 24 LYS CB C 32.513 0.400 1 233 22 24 LYS CG C 25.145 0.400 1 234 22 24 LYS CD C 29.172 0.400 1 235 22 24 LYS CE C 42.001 0.400 1 236 22 24 LYS N N 116.962 0.400 1 237 23 25 GLN H H 7.859 0.020 1 238 23 25 GLN HA H 3.975 0.020 1 239 23 25 GLN HB2 H 2.148 0.020 1 240 23 25 GLN HB3 H 2.148 0.020 1 241 23 25 GLN HG2 H 2.496 0.020 2 242 23 25 GLN HG3 H 2.438 0.020 2 243 23 25 GLN HE21 H 8.281 0.020 2 244 23 25 GLN HE22 H 6.987 0.020 2 245 23 25 GLN CA C 58.974 0.400 1 246 23 25 GLN CB C 27.940 0.400 1 247 23 25 GLN CG C 33.116 0.400 1 248 23 25 GLN N N 121.042 0.400 1 249 23 25 GLN NE2 N 113.134 0.400 1 250 24 26 ILE H H 7.871 0.020 1 251 24 26 ILE HA H 2.842 0.020 1 252 24 26 ILE HB H 1.297 0.020 1 253 24 26 ILE HG12 H 1.504 0.020 2 254 24 26 ILE HG13 H -0.614 0.020 2 255 24 26 ILE HG2 H -0.205 0.020 1 256 24 26 ILE HD1 H 0.209 0.020 1 257 24 26 ILE CA C 65.094 0.400 1 258 24 26 ILE CB C 37.778 0.400 1 259 24 26 ILE CG1 C 26.797 0.400 1 260 24 26 ILE CG2 C 16.980 0.400 1 261 24 26 ILE CD1 C 13.808 0.400 1 262 24 26 ILE N N 118.125 0.400 1 263 25 27 ALA H H 8.452 0.020 1 264 25 27 ALA HA H 3.855 0.020 1 265 25 27 ALA HB H 1.433 0.020 1 266 25 27 ALA CA C 55.982 0.400 1 267 25 27 ALA CB C 19.314 0.400 1 268 25 27 ALA N N 125.380 0.400 1 269 26 28 LEU H H 7.936 0.020 1 270 26 28 LEU HA H 4.041 0.020 1 271 26 28 LEU HB2 H 1.762 0.020 2 272 26 28 LEU HB3 H 1.858 0.020 2 273 26 28 LEU HG H 1.756 0.020 1 274 26 28 LEU HD1 H 0.945 0.020 2 275 26 28 LEU HD2 H 0.947 0.020 2 276 26 28 LEU CA C 57.976 0.400 1 277 26 28 LEU CB C 42.337 0.400 1 278 26 28 LEU CG C 26.953 0.400 1 279 26 28 LEU CD1 C 24.616 0.400 1 280 26 28 LEU CD2 C 24.978 0.400 1 281 26 28 LEU N N 119.285 0.400 1 282 27 29 GLU H H 8.050 0.020 1 283 27 29 GLU HA H 4.209 0.020 1 284 27 29 GLU HB2 H 2.342 0.020 2 285 27 29 GLU HB3 H 2.290 0.020 2 286 27 29 GLU HG2 H 2.757 0.020 2 287 27 29 GLU HG3 H 2.362 0.020 2 288 27 29 GLU CA C 58.243 0.400 1 289 27 29 GLU CB C 30.836 0.400 1 290 27 29 GLU CG C 37.389 0.400 1 291 27 29 GLU N N 115.748 0.400 1 292 28 30 SER H H 8.476 0.020 1 293 28 30 SER HA H 4.597 0.020 1 294 28 30 SER HB2 H 3.595 0.020 2 295 28 30 SER HB3 H 3.710 0.020 2 296 28 30 SER HG H 4.553 0.020 1 297 28 30 SER CB C 65.743 0.400 1 298 28 30 SER N N 113.421 0.400 1 299 29 31 GLY H H 8.074 0.020 1 300 29 31 GLY HA2 H 4.204 0.020 2 301 29 31 GLY HA3 H 3.869 0.020 2 302 29 31 GLY CA C 45.893 0.400 1 303 29 31 GLY N N 112.001 0.400 1 304 30 32 LEU H H 7.545 0.020 1 305 30 32 LEU HA H 4.609 0.020 1 306 30 32 LEU HB2 H 1.183 0.020 2 307 30 32 LEU HB3 H 1.511 0.020 2 308 30 32 LEU HG H 1.480 0.020 1 309 30 32 LEU HD1 H 0.624 0.020 2 310 30 32 LEU HD2 H 0.876 0.020 2 311 30 32 LEU CB C 44.177 0.400 1 312 30 32 LEU CG C 26.718 0.400 1 313 30 32 LEU CD1 C 26.757 0.400 1 314 30 32 LEU CD2 C 22.934 0.400 1 315 30 32 LEU N N 120.750 0.400 1 316 31 33 SER H H 8.326 0.020 1 317 31 33 SER HA H 4.568 0.020 1 318 31 33 SER HB2 H 4.318 0.020 2 319 31 33 SER HB3 H 4.036 0.020 2 320 31 33 SER CB C 64.928 0.400 1 321 31 33 SER N N 113.993 0.400 1 322 32 34 THR HA H 3.606 0.020 1 323 32 34 THR HB H 4.107 0.020 1 324 32 34 THR HG2 H 1.201 0.020 1 325 32 34 THR CA C 66.547 0.400 1 326 32 34 THR CB C 67.740 0.400 1 327 32 34 THR CG2 C 22.844 0.400 1 328 33 35 GLY H H 7.877 0.020 1 329 33 35 GLY HA2 H 3.859 0.020 2 330 33 35 GLY HA3 H 3.794 0.020 2 331 33 35 GLY CA C 46.761 0.400 1 332 34 36 THR H H 7.877 0.020 1 333 34 36 THR HA H 3.737 0.020 1 334 34 36 THR HB H 4.257 0.020 1 335 34 36 THR HG2 H 0.734 0.020 1 336 34 36 THR CA C 66.578 0.400 1 337 34 36 THR CB C 67.956 0.400 1 338 34 36 THR CG2 C 22.194 0.400 1 339 34 36 THR N N 121.948 0.400 1 340 35 37 ILE H H 7.750 0.020 1 341 35 37 ILE HA H 3.199 0.020 1 342 35 37 ILE HB H 1.648 0.020 1 343 35 37 ILE HG12 H 1.426 0.020 2 344 35 37 ILE HG13 H 0.805 0.020 2 345 35 37 ILE HG2 H 0.696 0.020 1 346 35 37 ILE HD1 H 0.500 0.020 1 347 35 37 ILE CA C 65.514 0.400 1 348 35 37 ILE CB C 37.869 0.400 1 349 35 37 ILE CG1 C 29.053 0.400 1 350 35 37 ILE CG2 C 18.117 0.400 1 351 35 37 ILE CD1 C 13.722 0.400 1 352 35 37 ILE N N 120.301 0.400 1 353 36 38 SER H H 8.322 0.020 1 354 36 38 SER HA H 3.535 0.020 1 355 36 38 SER HB2 H 3.459 0.020 2 356 36 38 SER HB3 H 3.346 0.020 2 357 36 38 SER CA C 61.365 0.400 1 358 36 38 SER CB C 62.114 0.400 1 359 36 38 SER N N 113.120 0.400 1 360 37 39 SER H H 8.096 0.020 1 361 37 39 SER HA H 4.196 0.020 1 362 37 39 SER HB2 H 3.968 0.020 2 363 37 39 SER HB3 H 3.862 0.020 2 364 37 39 SER CA C 61.201 0.400 1 365 37 39 SER CB C 63.821 0.400 1 366 37 39 SER N N 116.941 0.400 1 367 38 40 PHE H H 8.541 0.020 1 368 38 40 PHE HA H 4.354 0.020 1 369 38 40 PHE HB2 H 3.058 0.020 2 370 38 40 PHE HB3 H 2.815 0.020 2 371 38 40 PHE HD1 H 7.097 0.020 1 372 38 40 PHE HD2 H 7.097 0.020 1 373 38 40 PHE HE1 H 7.186 0.020 1 374 38 40 PHE HE2 H 7.186 0.020 1 375 38 40 PHE HZ H 7.154 0.020 1 376 38 40 PHE CA C 61.899 0.400 1 377 38 40 PHE CB C 39.310 0.400 1 378 38 40 PHE N N 123.225 0.400 1 379 39 41 ILE H H 8.619 0.020 1 380 39 41 ILE HA H 3.430 0.020 1 381 39 41 ILE HB H 1.968 0.020 1 382 39 41 ILE HG12 H 1.913 0.020 2 383 39 41 ILE HG13 H 1.279 0.020 2 384 39 41 ILE HG2 H 1.003 0.020 1 385 39 41 ILE HD1 H 0.893 0.020 1 386 39 41 ILE CA C 65.804 0.400 1 387 39 41 ILE CB C 37.858 0.400 1 388 39 41 ILE CG1 C 29.706 0.400 1 389 39 41 ILE CG2 C 17.432 0.400 1 390 39 41 ILE CD1 C 15.049 0.400 1 391 39 41 ILE N N 121.189 0.400 1 392 40 42 ASN H H 7.547 0.020 1 393 40 42 ASN HA H 4.648 0.020 1 394 40 42 ASN HB2 H 2.907 0.020 2 395 40 42 ASN HB3 H 2.641 0.020 2 396 40 42 ASN HD21 H 7.415 0.020 2 397 40 42 ASN HD22 H 7.036 0.020 2 398 40 42 ASN CB C 39.243 0.400 1 399 40 42 ASN N N 115.447 0.400 1 400 40 42 ASN ND2 N 113.471 0.400 1 401 41 43 ASP H H 7.933 0.020 1 402 41 43 ASP HA H 4.393 0.020 1 403 41 43 ASP HB2 H 3.178 0.020 2 404 41 43 ASP HB3 H 2.049 0.020 2 405 41 43 ASP CA C 54.531 0.400 1 406 41 43 ASP CB C 39.581 0.400 1 407 41 43 ASP N N 119.335 0.400 1 408 42 44 LYS H H 8.418 0.020 1 409 42 44 LYS HA H 4.520 0.020 1 410 42 44 LYS HB2 H 1.999 0.020 2 411 42 44 LYS HB3 H 1.504 0.020 2 412 42 44 LYS HG2 H 1.373 0.020 2 413 42 44 LYS HG3 H 1.277 0.020 2 414 42 44 LYS HD2 H 1.700 0.020 2 415 42 44 LYS HD3 H 1.597 0.020 2 416 42 44 LYS HE2 H 2.980 0.020 1 417 42 44 LYS HE3 H 2.980 0.020 1 418 42 44 LYS CB C 33.693 0.400 1 419 42 44 LYS CG C 24.502 0.400 1 420 42 44 LYS CD C 28.935 0.400 1 421 42 44 LYS CE C 42.067 0.400 1 422 42 44 LYS N N 117.025 0.400 1 423 43 45 TYR H H 8.437 0.020 1 424 43 45 TYR HA H 4.663 0.020 1 425 43 45 TYR HB2 H 3.290 0.020 2 426 43 45 TYR HB3 H 2.810 0.020 2 427 43 45 TYR HD1 H 7.234 0.020 1 428 43 45 TYR HD2 H 7.234 0.020 1 429 43 45 TYR HE1 H 6.732 0.020 1 430 43 45 TYR HE2 H 6.732 0.020 1 431 43 45 TYR CB C 38.132 0.400 1 432 43 45 TYR N N 122.804 0.400 1 433 44 46 ASN HB2 H 2.760 0.020 2 434 44 46 ASN HB3 H 2.645 0.020 2 435 44 46 ASN HD21 H 7.515 0.020 2 436 44 46 ASN HD22 H 6.814 0.020 2 437 44 46 ASN CB C 38.647 0.400 1 438 44 46 ASN ND2 N 112.238 0.400 1 439 45 47 GLY HA2 H 4.061 0.020 2 440 45 47 GLY HA3 H 3.314 0.020 2 441 45 47 GLY CA C 45.034 0.400 1 442 46 48 ASP HB2 H 3.085 0.020 2 443 46 48 ASP HB3 H 2.633 0.020 2 444 46 48 ASP CB C 40.065 0.400 1 445 47 49 ASN H H 8.291 0.020 1 446 47 49 ASN HA H 4.520 0.020 1 447 47 49 ASN HB2 H 3.054 0.020 2 448 47 49 ASN HB3 H 2.769 0.020 2 449 47 49 ASN HD21 H 7.624 0.020 2 450 47 49 ASN HD22 H 7.080 0.020 2 451 47 49 ASN CA C 54.705 0.400 1 452 47 49 ASN CB C 40.262 0.400 1 453 47 49 ASN ND2 N 112.966 0.400 1 454 48 50 GLU H H 8.695 0.020 1 455 48 50 GLU HA H 4.127 0.020 1 456 48 50 GLU HB2 H 2.218 0.020 1 457 48 50 GLU HB3 H 2.218 0.020 1 458 48 50 GLU HG2 H 2.346 0.020 1 459 48 50 GLU HG3 H 2.346 0.020 1 460 48 50 GLU CA C 60.052 0.400 1 461 48 50 GLU CB C 29.155 0.400 1 462 48 50 GLU CG C 36.559 0.400 1 463 48 50 GLU N N 121.849 0.400 1 464 49 51 ARG H H 7.958 0.020 1 465 49 51 ARG HA H 4.105 0.020 1 466 49 51 ARG HB2 H 1.905 0.020 2 467 49 51 ARG HB3 H 1.856 0.020 2 468 49 51 ARG HG2 H 1.717 0.020 2 469 49 51 ARG HG3 H 1.596 0.020 2 470 49 51 ARG HD2 H 3.262 0.020 1 471 49 51 ARG HD3 H 3.262 0.020 1 472 49 51 ARG CA C 59.130 0.400 1 473 49 51 ARG CB C 30.078 0.400 1 474 49 51 ARG CG C 27.310 0.400 1 475 49 51 ARG CD C 43.136 0.400 1 476 49 51 ARG N N 120.467 0.400 1 477 50 52 VAL H H 7.767 0.020 1 478 50 52 VAL HA H 3.362 0.020 1 479 50 52 VAL HB H 1.701 0.020 1 480 50 52 VAL HG1 H 0.029 0.020 2 481 50 52 VAL HG2 H 0.784 0.020 2 482 50 52 VAL CA C 67.008 0.400 1 483 50 52 VAL CB C 31.759 0.400 1 484 50 52 VAL CG1 C 21.046 0.400 1 485 50 52 VAL CG2 C 23.682 0.400 1 486 50 52 VAL N N 119.496 0.400 1 487 51 53 SER H H 8.296 0.020 1 488 51 53 SER HA H 3.665 0.020 1 489 51 53 SER HB2 H 4.201 0.020 2 490 51 53 SER HB3 H 4.061 0.020 2 491 51 53 SER CA C 62.288 0.400 1 492 51 53 SER CB C 62.823 0.400 1 493 51 53 SER N N 114.856 0.400 1 494 52 54 GLN H H 8.012 0.020 1 495 52 54 GLN HA H 4.167 0.020 1 496 52 54 GLN HB2 H 2.158 0.020 2 497 52 54 GLN HB3 H 2.258 0.020 2 498 52 54 GLN HG2 H 2.489 0.020 2 499 52 54 GLN HG3 H 2.652 0.020 2 500 52 54 GLN HE21 H 7.643 0.020 2 501 52 54 GLN HE22 H 6.862 0.020 2 502 52 54 GLN CA C 59.179 0.400 1 503 52 54 GLN CB C 28.441 0.400 1 504 52 54 GLN CG C 34.259 0.400 1 505 52 54 GLN N N 120.482 0.400 1 506 52 54 GLN NE2 N 111.839 0.400 1 507 53 55 THR H H 7.960 0.020 1 508 53 55 THR HA H 3.981 0.020 1 509 53 55 THR HB H 4.279 0.020 1 510 53 55 THR HG2 H 1.275 0.020 1 511 53 55 THR CA C 67.070 0.400 1 512 53 55 THR CB C 68.860 0.400 1 513 53 55 THR CG2 C 22.312 0.400 1 514 53 55 THR N N 117.745 0.400 1 515 54 56 LEU H H 8.376 0.020 1 516 54 56 LEU HA H 4.334 0.020 1 517 54 56 LEU HB2 H 1.305 0.020 2 518 54 56 LEU HB3 H 1.644 0.020 2 519 54 56 LEU HG H 1.416 0.020 1 520 54 56 LEU HD1 H 0.161 0.020 2 521 54 56 LEU HD2 H 0.504 0.020 2 522 54 56 LEU CA C 57.483 0.400 1 523 54 56 LEU CB C 41.080 0.400 1 524 54 56 LEU CG C 26.711 0.400 1 525 54 56 LEU CD1 C 26.329 0.400 1 526 54 56 LEU CD2 C 22.059 0.400 1 527 54 56 LEU N N 122.166 0.400 1 528 55 57 GLN H H 9.086 0.020 1 529 55 57 GLN HA H 4.060 0.020 1 530 55 57 GLN HB2 H 2.348 0.020 2 531 55 57 GLN HB3 H 2.242 0.020 2 532 55 57 GLN HG2 H 2.492 0.020 2 533 55 57 GLN HG3 H 2.351 0.020 2 534 55 57 GLN HE21 H 7.716 0.020 2 535 55 57 GLN HE22 H 6.834 0.020 2 536 55 57 GLN CA C 59.427 0.400 1 537 55 57 GLN CB C 27.548 0.400 1 538 55 57 GLN CG C 33.754 0.400 1 539 55 57 GLN N N 122.381 0.400 1 540 55 57 GLN NE2 N 111.575 0.400 1 541 56 58 ARG H H 7.690 0.020 1 542 56 58 ARG HA H 4.179 0.020 1 543 56 58 ARG HB2 H 2.102 0.020 2 544 56 58 ARG HB3 H 2.010 0.020 2 545 56 58 ARG HG2 H 1.906 0.020 2 546 56 58 ARG HG3 H 1.781 0.020 2 547 56 58 ARG HD2 H 3.313 0.020 1 548 56 58 ARG HD3 H 3.313 0.020 1 549 56 58 ARG HE H 5.985 0.020 1 550 56 58 ARG CA C 57.448 0.400 1 551 56 58 ARG CB C 30.192 0.400 1 552 56 58 ARG CG C 27.774 0.400 1 553 56 58 ARG CD C 43.536 0.400 1 554 56 58 ARG N N 117.595 0.400 1 555 56 58 ARG NE N 75.463 0.400 1 556 57 59 TRP H H 7.754 0.020 1 557 57 59 TRP HA H 4.096 0.020 1 558 57 59 TRP HB2 H 3.713 0.020 2 559 57 59 TRP HB3 H 3.238 0.020 2 560 57 59 TRP HD1 H 7.108 0.020 1 561 57 59 TRP HE1 H 11.244 0.020 1 562 57 59 TRP HE3 H 7.329 0.020 1 563 57 59 TRP HZ2 H 7.372 0.020 1 564 57 59 TRP HZ3 H 6.570 0.020 1 565 57 59 TRP HH2 H 6.568 0.020 1 566 57 59 TRP CA C 58.856 0.400 1 567 57 59 TRP CB C 28.557 0.400 1 568 57 59 TRP N N 120.743 0.400 1 569 57 59 TRP NE1 N 132.408 0.400 1 570 58 60 LEU H H 8.699 0.020 1 571 58 60 LEU HA H 3.680 0.020 1 572 58 60 LEU HB2 H 1.844 0.020 2 573 58 60 LEU HB3 H 2.058 0.020 2 574 58 60 LEU HG H 1.985 0.020 1 575 58 60 LEU HD1 H 1.053 0.020 2 576 58 60 LEU HD2 H 1.086 0.020 2 577 58 60 LEU CA C 58.178 0.400 1 578 58 60 LEU CB C 42.947 0.400 1 579 58 60 LEU CG C 27.452 0.400 1 580 58 60 LEU CD1 C 25.213 0.400 1 581 58 60 LEU CD2 C 25.745 0.400 1 582 58 60 LEU N N 121.472 0.400 1 583 59 61 GLU H H 8.301 0.020 1 584 59 61 GLU HA H 3.957 0.020 1 585 59 61 GLU HB2 H 2.184 0.020 2 586 59 61 GLU HB3 H 1.987 0.020 2 587 59 61 GLU HG2 H 2.592 0.020 2 588 59 61 GLU HG3 H 2.283 0.020 2 589 59 61 GLU CA C 58.835 0.400 1 590 59 61 GLU CB C 29.824 0.400 1 591 59 61 GLU CG C 37.109 0.400 1 592 59 61 GLU N N 117.216 0.400 1 593 60 62 LYS H H 7.499 0.020 1 594 60 62 LYS HA H 4.023 0.020 1 595 60 62 LYS HB2 H 1.678 0.020 1 596 60 62 LYS HB3 H 1.678 0.020 1 597 60 62 LYS HG2 H 1.286 0.020 2 598 60 62 LYS HG3 H 1.052 0.020 2 599 60 62 LYS HD2 H 1.565 0.020 1 600 60 62 LYS HD3 H 1.565 0.020 1 601 60 62 LYS HE2 H 2.876 0.020 1 602 60 62 LYS HE3 H 2.876 0.020 1 603 60 62 LYS CA C 57.884 0.400 1 604 60 62 LYS CB C 32.425 0.400 1 605 60 62 LYS CG C 24.674 0.400 1 606 60 62 LYS CD C 29.146 0.400 1 607 60 62 LYS CE C 42.100 0.400 1 608 60 62 LYS N N 118.414 0.400 1 609 61 63 TYR H H 7.852 0.020 1 610 61 63 TYR HA H 3.749 0.020 1 611 61 63 TYR HB2 H 2.415 0.020 2 612 61 63 TYR HB3 H 1.689 0.020 2 613 61 63 TYR HD1 H 6.401 0.020 1 614 61 63 TYR HD2 H 6.401 0.020 1 615 61 63 TYR HE1 H 6.679 0.020 1 616 61 63 TYR HE2 H 6.679 0.020 1 617 61 63 TYR CA C 59.050 0.400 1 618 61 63 TYR CB C 38.630 0.400 1 619 61 63 TYR N N 120.082 0.400 1 620 62 64 HIS H H 7.600 0.020 1 621 62 64 HIS HA H 4.502 0.020 1 622 62 64 HIS HB2 H 3.311 0.020 2 623 62 64 HIS HB3 H 2.842 0.020 2 624 62 64 HIS HD2 H 6.817 0.020 1 625 62 64 HIS CA C 55.698 0.400 1 626 62 64 HIS CB C 30.235 0.400 1 627 62 64 HIS N N 117.180 0.400 1 628 63 65 ALA H H 7.401 0.020 1 629 63 65 ALA HA H 4.030 0.020 1 630 63 65 ALA HB H 1.371 0.020 1 631 63 65 ALA CA C 54.394 0.400 1 632 63 65 ALA CB C 19.765 0.400 1 633 63 65 ALA N N 129.366 0.400 1 stop_ save_