data_25542 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of MyUb (1080-1131) of human Myosin VI ; _BMRB_accession_number 25542 _BMRB_flat_file_name bmr25542.str _Entry_type original _Submission_date 2015-03-20 _Accession_date 2015-03-20 _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 He Fahu . . 2 Walters Kylie . . 3 Ehlinger Aaron . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 379 "13C chemical shifts" 273 "15N chemical shifts" 64 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-08-25 update BMRB 'update entry citation' 2016-03-07 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 25541 'MyUb (1080-1122) of human Myosin VI' 25543 'human Myosin VI isoform3 (998-1071)' 25544 'human Myosin VI isoform3 (1050-1131)' 25545 'MyUb (1080-1122) of human Myosin VI with K63-diUb' stop_ _Original_release_date 2016-03-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Myosin VI Contains a Compact Structural Motif that Binds to Ubiquitin Chains ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26971995 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 He Fahu . . 2 Wollscheid Hans-Peter . . 3 Nowicka Urszula . . 4 Biancospino Matteo . . 5 Valentini Eleonora . . 6 Ehlinger Aaron . . 7 Acconcia Filippo . . 8 Magistrati Elisa . . 9 Polo Simona . . 10 Walters Kylie J. . stop_ _Journal_abbreviation 'Cell Rep.' _Journal_volume 14 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2683 _Page_last 2694 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'MyUb (1080-1131) of human Myosin VI' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 6345.419 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 60 _Mol_residue_sequence ; GPLGSPNSGTKKYDLSKWKY AELRDTINTSCDIELLAACR EEFHRRLKVYHAWKSKNKKR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -7 GLY 2 -6 PRO 3 -5 LEU 4 -4 GLY 5 -3 SER 6 -2 PRO 7 -1 ASN 8 0 SER 9 1 GLY 10 2 THR 11 3 LYS 12 4 LYS 13 5 TYR 14 6 ASP 15 7 LEU 16 8 SER 17 9 LYS 18 10 TRP 19 11 LYS 20 12 TYR 21 13 ALA 22 14 GLU 23 15 LEU 24 16 ARG 25 17 ASP 26 18 THR 27 19 ILE 28 20 ASN 29 21 THR 30 22 SER 31 23 CYS 32 24 ASP 33 25 ILE 34 26 GLU 35 27 LEU 36 28 LEU 37 29 ALA 38 30 ALA 39 31 CYS 40 32 ARG 41 33 GLU 42 34 GLU 43 35 PHE 44 36 HIS 45 37 ARG 46 38 ARG 47 39 LEU 48 40 LYS 49 41 VAL 50 42 TYR 51 43 HIS 52 44 ALA 53 45 TRP 54 46 LYS 55 47 SER 56 48 LYS 57 49 ASN 58 50 LYS 59 51 LYS 60 52 ARG 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 Uniprot Q9UM54 'Myosin VI' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli . pGEX6p stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.7 mM '[U-13C; U-15N]' 'sodium phosphate buffer' 20 mM 'natural abundance' NaCl 50 mM 'natural abundance' DTT 2 mM 'natural abundance' NaN3 0.1 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version . loop_ _Vendor _Address _Electronic_address 'Naohiro Kobayashi' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 900 _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_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '20mM sodium phosphate buffer (pH 6.5), 50 mM NaCl, 2mM DTT, 0.1% NaN3.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 283 . 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_ _Software_label $NMRPipe stop_ loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' 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 entity _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 -7 1 GLY HA2 H 3.927 0.030 2 2 -7 1 GLY HA3 H 3.927 0.030 2 3 -7 1 GLY CA C 43.396 0.300 1 4 -6 2 PRO HA H 4.396 0.030 1 5 -6 2 PRO HB2 H 2.243 0.030 2 6 -6 2 PRO HB3 H 1.873 0.030 2 7 -6 2 PRO HG2 H 1.961 0.030 2 8 -6 2 PRO HG3 H 1.961 0.030 2 9 -6 2 PRO HD2 H 3.516 0.030 2 10 -6 2 PRO HD3 H 3.516 0.030 2 11 -6 2 PRO C C 174.211 0.300 1 12 -6 2 PRO CA C 63.459 0.300 1 13 -6 2 PRO CB C 31.973 0.300 1 14 -6 2 PRO CG C 27.040 0.300 1 15 -6 2 PRO CD C 49.565 0.300 1 16 -5 3 LEU H H 8.596 0.030 1 17 -5 3 LEU HA H 4.298 0.030 1 18 -5 3 LEU HB2 H 1.633 0.030 2 19 -5 3 LEU HB3 H 1.550 0.030 2 20 -5 3 LEU HG H 1.622 0.030 1 21 -5 3 LEU HD1 H 0.847 0.030 2 22 -5 3 LEU HD2 H 0.889 0.030 2 23 -5 3 LEU C C 175.091 0.300 1 24 -5 3 LEU CA C 55.353 0.300 1 25 -5 3 LEU CB C 42.091 0.300 1 26 -5 3 LEU CG C 26.962 0.300 1 27 -5 3 LEU CD1 C 23.408 0.300 2 28 -5 3 LEU CD2 C 24.781 0.300 2 29 -5 3 LEU N N 122.703 0.300 1 30 -4 4 GLY H H 8.463 0.030 1 31 -4 4 GLY HA2 H 3.918 0.030 2 32 -4 4 GLY HA3 H 3.918 0.030 2 33 -4 4 GLY C C 170.952 0.300 1 34 -4 4 GLY CA C 44.955 0.300 1 35 -4 4 GLY N N 109.866 0.300 1 36 -3 5 SER H H 8.256 0.030 1 37 -3 5 SER HA H 4.726 0.030 1 38 -3 5 SER HB2 H 3.811 0.030 2 39 -3 5 SER HB3 H 3.811 0.030 2 40 -3 5 SER C C 170.110 0.300 1 41 -3 5 SER CA C 56.381 0.300 1 42 -3 5 SER CB C 63.327 0.300 1 43 -3 5 SER N N 116.945 0.300 1 44 -2 6 PRO HA H 4.424 0.030 1 45 -2 6 PRO HB2 H 2.260 0.030 2 46 -2 6 PRO HB3 H 1.897 0.030 2 47 -2 6 PRO HG2 H 1.965 0.030 2 48 -2 6 PRO HG3 H 1.965 0.030 2 49 -2 6 PRO HD2 H 3.768 0.030 2 50 -2 6 PRO HD3 H 3.671 0.030 2 51 -2 6 PRO C C 173.913 0.300 1 52 -2 6 PRO CA C 62.894 0.300 1 53 -2 6 PRO CB C 32.253 0.300 1 54 -2 6 PRO CG C 27.251 0.300 1 55 -2 6 PRO CD C 50.665 0.300 1 56 -1 7 ASN H H 8.584 0.030 1 57 -1 7 ASN HA H 4.679 0.030 1 58 -1 7 ASN HB2 H 2.820 0.030 2 59 -1 7 ASN HB3 H 2.726 0.030 2 60 -1 7 ASN HD21 H 7.686 0.030 2 61 -1 7 ASN HD22 H 6.981 0.030 2 62 -1 7 ASN C C 172.507 0.300 1 63 -1 7 ASN CA C 53.104 0.300 1 64 -1 7 ASN CB C 38.726 0.300 1 65 -1 7 ASN N N 118.590 0.300 1 66 -1 7 ASN ND2 N 113.620 0.300 1 67 0 8 SER H H 8.338 0.030 1 68 0 8 SER HA H 4.387 0.030 1 69 0 8 SER HB2 H 3.895 0.030 2 70 0 8 SER HB3 H 3.825 0.030 2 71 0 8 SER C C 172.210 0.300 1 72 0 8 SER CA C 58.532 0.300 1 73 0 8 SER CB C 63.614 0.300 1 74 0 8 SER N N 116.534 0.300 1 75 1 9 GLY H H 8.533 0.030 1 76 1 9 GLY HA2 H 3.975 0.030 2 77 1 9 GLY HA3 H 3.975 0.030 2 78 1 9 GLY C C 171.455 0.300 1 79 1 9 GLY CA C 45.180 0.300 1 80 1 9 GLY N N 110.982 0.300 1 81 2 10 THR H H 8.118 0.030 1 82 2 10 THR HA H 4.249 0.030 1 83 2 10 THR HB H 4.117 0.030 1 84 2 10 THR HG2 H 1.142 0.030 1 85 2 10 THR C C 171.741 0.300 1 86 2 10 THR CA C 62.036 0.300 1 87 2 10 THR CB C 69.784 0.300 1 88 2 10 THR CG2 C 21.572 0.300 1 89 2 10 THR N N 114.478 0.300 1 90 3 11 LYS H H 8.442 0.030 1 91 3 11 LYS HA H 4.171 0.030 1 92 3 11 LYS HB2 H 1.609 0.030 2 93 3 11 LYS HB3 H 1.609 0.030 2 94 3 11 LYS HG2 H 1.300 0.030 2 95 3 11 LYS HG3 H 1.188 0.030 2 96 3 11 LYS HD2 H 1.570 0.030 2 97 3 11 LYS HD3 H 1.570 0.030 2 98 3 11 LYS HE2 H 2.864 0.030 2 99 3 11 LYS HE3 H 2.864 0.030 2 100 3 11 LYS C C 172.964 0.300 1 101 3 11 LYS CA C 56.185 0.300 1 102 3 11 LYS CB C 32.819 0.300 1 103 3 11 LYS CG C 24.576 0.300 1 104 3 11 LYS CD C 29.123 0.300 1 105 3 11 LYS CE C 41.980 0.300 1 106 3 11 LYS N N 124.759 0.300 1 107 4 12 LYS H H 8.239 0.030 1 108 4 12 LYS HA H 4.116 0.030 1 109 4 12 LYS HB2 H 1.517 0.030 2 110 4 12 LYS HB3 H 1.517 0.030 2 111 4 12 LYS HG2 H 0.976 0.030 2 112 4 12 LYS HG3 H 1.163 0.030 2 113 4 12 LYS HD2 H 1.504 0.030 2 114 4 12 LYS HD3 H 1.504 0.030 2 115 4 12 LYS HE2 H 2.848 0.030 2 116 4 12 LYS HE3 H 2.848 0.030 2 117 4 12 LYS C C 173.147 0.300 1 118 4 12 LYS CA C 56.308 0.300 1 119 4 12 LYS CB C 33.205 0.300 1 120 4 12 LYS CG C 24.588 0.300 1 121 4 12 LYS CD C 28.897 0.300 1 122 4 12 LYS CE C 41.725 0.300 1 123 4 12 LYS N N 123.320 0.300 1 124 5 13 TYR H H 8.286 0.030 1 125 5 13 TYR HA H 4.412 0.030 1 126 5 13 TYR HB2 H 2.535 0.030 2 127 5 13 TYR HB3 H 2.535 0.030 2 128 5 13 TYR HD1 H 6.938 0.030 3 129 5 13 TYR HD2 H 6.938 0.030 3 130 5 13 TYR HE1 H 6.637 0.030 3 131 5 13 TYR HE2 H 6.637 0.030 3 132 5 13 TYR C C 172.016 0.300 1 133 5 13 TYR CA C 57.378 0.300 1 134 5 13 TYR CB C 39.946 0.300 1 135 5 13 TYR CD1 C 133.180 0.300 3 136 5 13 TYR CD2 C 133.180 0.300 3 137 5 13 TYR CE1 C 117.795 0.300 3 138 5 13 TYR CE2 C 117.795 0.300 3 139 5 13 TYR N N 119.413 0.300 1 140 6 14 ASP H H 8.611 0.030 1 141 6 14 ASP HA H 4.687 0.030 1 142 6 14 ASP HB2 H 2.507 0.030 2 143 6 14 ASP HB3 H 2.855 0.030 2 144 6 14 ASP C C 173.276 0.300 1 145 6 14 ASP CA C 52.636 0.300 1 146 6 14 ASP CB C 40.205 0.300 1 147 6 14 ASP N N 120.647 0.300 1 148 7 15 LEU H H 8.877 0.030 1 149 7 15 LEU HA H 3.733 0.030 1 150 7 15 LEU HB2 H 0.780 0.030 2 151 7 15 LEU HB3 H 1.015 0.030 2 152 7 15 LEU HG H 0.863 0.030 1 153 7 15 LEU HD1 H 0.164 0.030 2 154 7 15 LEU HD2 H -0.650 0.030 2 155 7 15 LEU C C 175.592 0.300 1 156 7 15 LEU CA C 53.375 0.300 1 157 7 15 LEU CB C 39.946 0.300 1 158 7 15 LEU CG C 26.181 0.300 1 159 7 15 LEU CD1 C 26.818 0.300 2 160 7 15 LEU CD2 C 20.522 0.300 2 161 7 15 LEU N N 126.198 0.300 1 162 8 16 SER H H 8.132 0.030 1 163 8 16 SER HA H 4.142 0.030 1 164 8 16 SER HB2 H 3.989 0.030 2 165 8 16 SER HB3 H 3.841 0.030 2 166 8 16 SER C C 173.247 0.300 1 167 8 16 SER CA C 61.699 0.300 1 168 8 16 SER CB C 62.708 0.300 1 169 8 16 SER N N 116.464 0.300 1 170 9 17 LYS H H 8.496 0.030 1 171 9 17 LYS HA H 4.501 0.030 1 172 9 17 LYS HB2 H 1.749 0.030 2 173 9 17 LYS HB3 H 2.088 0.030 2 174 9 17 LYS HG2 H 1.367 0.030 2 175 9 17 LYS HG3 H 1.483 0.030 2 176 9 17 LYS HD2 H 1.619 0.030 2 177 9 17 LYS HD3 H 1.619 0.030 2 178 9 17 LYS HE2 H 2.971 0.030 2 179 9 17 LYS HE3 H 2.971 0.030 2 180 9 17 LYS C C 175.079 0.300 1 181 9 17 LYS CA C 55.194 0.300 1 182 9 17 LYS CB C 32.053 0.300 1 183 9 17 LYS CG C 25.146 0.300 1 184 9 17 LYS CD C 28.582 0.300 1 185 9 17 LYS CE C 42.185 0.300 1 186 9 17 LYS N N 118.179 0.300 1 187 10 18 TRP H H 7.830 0.030 1 188 10 18 TRP HA H 4.592 0.030 1 189 10 18 TRP HB2 H 3.171 0.030 2 190 10 18 TRP HB3 H 3.197 0.030 2 191 10 18 TRP HD1 H 7.144 0.030 1 192 10 18 TRP HE1 H 10.195 0.030 1 193 10 18 TRP HE3 H 7.056 0.030 1 194 10 18 TRP HZ2 H 7.301 0.030 1 195 10 18 TRP HZ3 H 7.066 0.030 1 196 10 18 TRP HH2 H 7.007 0.030 1 197 10 18 TRP C C 174.862 0.300 1 198 10 18 TRP CA C 58.185 0.300 1 199 10 18 TRP CB C 28.632 0.300 1 200 10 18 TRP CD1 C 123.675 0.300 1 201 10 18 TRP CE3 C 119.354 0.300 1 202 10 18 TRP CZ2 C 114.910 0.300 1 203 10 18 TRP CZ3 C 121.873 0.300 1 204 10 18 TRP CH2 C 124.555 0.300 1 205 10 18 TRP N N 121.857 0.300 1 206 10 18 TRP NE1 N 129.077 0.300 1 207 11 19 LYS H H 9.533 0.030 1 208 11 19 LYS HA H 4.545 0.030 1 209 11 19 LYS HB2 H 2.278 0.030 2 210 11 19 LYS HB3 H 1.698 0.030 2 211 11 19 LYS HG2 H 1.596 0.030 2 212 11 19 LYS HG3 H 1.652 0.030 2 213 11 19 LYS HD2 H 1.671 0.030 2 214 11 19 LYS HD3 H 1.753 0.030 2 215 11 19 LYS HE2 H 3.002 0.030 2 216 11 19 LYS HE3 H 3.002 0.030 2 217 11 19 LYS C C 175.094 0.300 1 218 11 19 LYS CA C 55.269 0.300 1 219 11 19 LYS CB C 33.091 0.300 1 220 11 19 LYS CG C 25.561 0.300 1 221 11 19 LYS CD C 28.877 0.300 1 222 11 19 LYS CE C 41.833 0.300 1 223 11 19 LYS N N 123.014 0.300 1 224 12 20 TYR H H 9.400 0.030 1 225 12 20 TYR HA H 4.015 0.030 1 226 12 20 TYR HB2 H 2.972 0.030 2 227 12 20 TYR HB3 H 3.238 0.030 2 228 12 20 TYR HD1 H 7.054 0.030 3 229 12 20 TYR HD2 H 7.054 0.030 3 230 12 20 TYR HE1 H 6.706 0.030 3 231 12 20 TYR HE2 H 6.706 0.030 3 232 12 20 TYR C C 174.531 0.300 1 233 12 20 TYR CA C 63.137 0.300 1 234 12 20 TYR CB C 38.114 0.300 1 235 12 20 TYR CD1 C 132.963 0.300 3 236 12 20 TYR CD2 C 132.963 0.300 3 237 12 20 TYR CE1 C 118.032 0.300 3 238 12 20 TYR CE2 C 118.032 0.300 3 239 12 20 TYR N N 124.553 0.300 1 240 13 21 ALA H H 8.991 0.030 1 241 13 21 ALA HA H 3.817 0.030 1 242 13 21 ALA HB H 1.411 0.030 1 243 13 21 ALA C C 176.314 0.300 1 244 13 21 ALA CA C 55.352 0.300 1 245 13 21 ALA CB C 18.607 0.300 1 246 13 21 ALA N N 117.974 0.300 1 247 14 22 GLU H H 6.842 0.030 1 248 14 22 GLU HA H 4.107 0.030 1 249 14 22 GLU HB2 H 2.233 0.030 2 250 14 22 GLU HB3 H 1.686 0.030 2 251 14 22 GLU HG2 H 1.973 0.030 2 252 14 22 GLU HG3 H 2.063 0.030 2 253 14 22 GLU C C 177.380 0.300 1 254 14 22 GLU CA C 58.430 0.300 1 255 14 22 GLU CB C 29.870 0.300 1 256 14 22 GLU CG C 36.824 0.300 1 257 14 22 GLU N N 115.300 0.300 1 258 15 23 LEU H H 7.906 0.030 1 259 15 23 LEU HA H 4.166 0.030 1 260 15 23 LEU HB2 H 1.193 0.030 2 261 15 23 LEU HB3 H 2.019 0.030 2 262 15 23 LEU HG H 1.822 0.030 1 263 15 23 LEU HD1 H 0.775 0.030 2 264 15 23 LEU HD2 H 0.681 0.030 2 265 15 23 LEU C C 174.830 0.300 1 266 15 23 LEU CA C 58.643 0.300 1 267 15 23 LEU CB C 43.111 0.300 1 268 15 23 LEU CG C 26.916 0.300 1 269 15 23 LEU CD1 C 23.693 0.300 2 270 15 23 LEU CD2 C 25.257 0.300 2 271 15 23 LEU N N 122.086 0.300 1 272 16 24 ARG H H 8.220 0.030 1 273 16 24 ARG HA H 3.659 0.030 1 274 16 24 ARG HB2 H 1.500 0.030 2 275 16 24 ARG HB3 H 1.742 0.030 2 276 16 24 ARG HG2 H 1.324 0.030 2 277 16 24 ARG HG3 H 1.644 0.030 2 278 16 24 ARG HD2 H 3.038 0.030 2 279 16 24 ARG HD3 H 3.038 0.030 2 280 16 24 ARG C C 175.240 0.300 1 281 16 24 ARG CA C 59.031 0.300 1 282 16 24 ARG CB C 29.834 0.300 1 283 16 24 ARG CG C 26.256 0.300 1 284 16 24 ARG CD C 43.248 0.300 1 285 16 24 ARG N N 117.974 0.300 1 286 17 25 ASP H H 8.482 0.030 1 287 17 25 ASP HA H 4.386 0.030 1 288 17 25 ASP HB2 H 2.662 0.030 2 289 17 25 ASP HB3 H 2.695 0.030 2 290 17 25 ASP C C 176.554 0.300 1 291 17 25 ASP CA C 57.287 0.300 1 292 17 25 ASP CB C 40.042 0.300 1 293 17 25 ASP N N 118.179 0.300 1 294 18 26 THR H H 7.930 0.030 1 295 18 26 THR HA H 3.900 0.030 1 296 18 26 THR HB H 4.570 0.030 1 297 18 26 THR HG2 H 1.271 0.030 1 298 18 26 THR C C 173.365 0.300 1 299 18 26 THR CA C 67.774 0.300 1 300 18 26 THR CB C 67.779 0.300 1 301 18 26 THR CG2 C 22.805 0.300 1 302 18 26 THR N N 118.385 0.300 1 303 19 27 ILE H H 8.145 0.030 1 304 19 27 ILE HA H 3.645 0.030 1 305 19 27 ILE HB H 1.826 0.030 1 306 19 27 ILE HG12 H 1.692 0.030 2 307 19 27 ILE HG13 H 0.915 0.030 2 308 19 27 ILE HG2 H 0.816 0.030 1 309 19 27 ILE HD1 H 0.564 0.030 1 310 19 27 ILE C C 174.485 0.300 1 311 19 27 ILE CA C 64.618 0.300 1 312 19 27 ILE CB C 37.652 0.300 1 313 19 27 ILE CG1 C 30.593 0.300 1 314 19 27 ILE CG2 C 17.240 0.300 1 315 19 27 ILE CD1 C 13.514 0.300 1 316 19 27 ILE N N 122.497 0.300 1 317 20 28 ASN H H 7.700 0.030 1 318 20 28 ASN HA H 4.622 0.030 1 319 20 28 ASN HB2 H 2.871 0.030 2 320 20 28 ASN HB3 H 2.900 0.030 2 321 20 28 ASN HD21 H 7.750 0.030 2 322 20 28 ASN HD22 H 6.831 0.030 2 323 20 28 ASN C C 173.902 0.300 1 324 20 28 ASN CA C 54.429 0.300 1 325 20 28 ASN CB C 39.169 0.300 1 326 20 28 ASN N N 115.095 0.300 1 327 20 28 ASN ND2 N 111.926 0.300 1 328 21 29 THR H H 7.592 0.030 1 329 21 29 THR HA H 4.606 0.030 1 330 21 29 THR HB H 4.150 0.030 1 331 21 29 THR HG2 H 1.189 0.030 1 332 21 29 THR C C 172.290 0.300 1 333 21 29 THR CA C 62.629 0.300 1 334 21 29 THR CB C 72.232 0.300 1 335 21 29 THR CG2 C 21.336 0.300 1 336 21 29 THR N N 107.692 0.300 1 337 22 30 SER H H 8.701 0.030 1 338 22 30 SER HA H 4.298 0.030 1 339 22 30 SER HB2 H 3.624 0.030 2 340 22 30 SER HB3 H 4.147 0.030 2 341 22 30 SER C C 172.473 0.300 1 342 22 30 SER CA C 59.633 0.300 1 343 22 30 SER CB C 64.278 0.300 1 344 22 30 SER N N 117.670 0.300 1 345 23 31 CYS H H 8.719 0.030 1 346 23 31 CYS HA H 4.781 0.030 1 347 23 31 CYS HB2 H 2.934 0.030 2 348 23 31 CYS HB3 H 3.017 0.030 2 349 23 31 CYS C C 170.861 0.300 1 350 23 31 CYS CA C 57.405 0.300 1 351 23 31 CYS CB C 28.303 0.300 1 352 23 31 CYS N N 121.263 0.300 1 353 24 32 ASP H H 8.551 0.030 1 354 24 32 ASP HA H 4.622 0.030 1 355 24 32 ASP HB2 H 2.462 0.030 2 356 24 32 ASP HB3 H 2.999 0.030 2 357 24 32 ASP C C 172.541 0.300 1 358 24 32 ASP CA C 53.154 0.300 1 359 24 32 ASP CB C 41.241 0.300 1 360 24 32 ASP N N 124.542 0.300 1 361 25 33 ILE H H 8.464 0.030 1 362 25 33 ILE HA H 3.694 0.030 1 363 25 33 ILE HB H 1.922 0.030 1 364 25 33 ILE HG12 H 1.577 0.030 2 365 25 33 ILE HG13 H 1.349 0.030 2 366 25 33 ILE HG2 H 0.956 0.030 1 367 25 33 ILE HD1 H 0.873 0.030 1 368 25 33 ILE C C 175.743 0.300 1 369 25 33 ILE CA C 64.736 0.300 1 370 25 33 ILE CB C 37.815 0.300 1 371 25 33 ILE CG1 C 27.759 0.300 1 372 25 33 ILE CG2 C 17.579 0.300 1 373 25 33 ILE CD1 C 12.796 0.300 1 374 25 33 ILE N N 125.170 0.300 1 375 26 34 GLU H H 8.186 0.030 1 376 26 34 GLU HA H 4.142 0.030 1 377 26 34 GLU HB2 H 2.156 0.030 2 378 26 34 GLU HB3 H 2.232 0.030 2 379 26 34 GLU HG2 H 2.293 0.030 2 380 26 34 GLU HG3 H 2.402 0.030 2 381 26 34 GLU C C 176.406 0.300 1 382 26 34 GLU CA C 59.111 0.300 1 383 26 34 GLU CB C 29.722 0.300 1 384 26 34 GLU CG C 37.298 0.300 1 385 26 34 GLU N N 121.058 0.300 1 386 27 35 LEU H H 7.849 0.030 1 387 27 35 LEU HA H 3.635 0.030 1 388 27 35 LEU HB2 H 1.208 0.030 2 389 27 35 LEU HB3 H 1.759 0.030 2 390 27 35 LEU HG H 1.201 0.030 1 391 27 35 LEU HD1 H 0.941 0.030 2 392 27 35 LEU HD2 H 0.385 0.030 2 393 27 35 LEU C C 176.399 0.300 1 394 27 35 LEU CA C 57.029 0.300 1 395 27 35 LEU CB C 40.982 0.300 1 396 27 35 LEU CG C 27.256 0.300 1 397 27 35 LEU CD1 C 26.150 0.300 2 398 27 35 LEU CD2 C 21.861 0.300 2 399 27 35 LEU N N 124.965 0.300 1 400 28 36 LEU H H 8.867 0.030 1 401 28 36 LEU HA H 3.679 0.030 1 402 28 36 LEU HB2 H 1.312 0.030 2 403 28 36 LEU HB3 H 1.803 0.030 2 404 28 36 LEU HG H 1.584 0.030 1 405 28 36 LEU HD1 H 0.783 0.030 2 406 28 36 LEU HD2 H 0.914 0.030 2 407 28 36 LEU C C 176.280 0.300 1 408 28 36 LEU CA C 58.735 0.300 1 409 28 36 LEU CB C 42.469 0.300 1 410 28 36 LEU CG C 27.161 0.300 1 411 28 36 LEU CD1 C 24.964 0.300 2 412 28 36 LEU CD2 C 25.063 0.300 2 413 28 36 LEU N N 120.453 0.300 1 414 29 37 ALA H H 7.624 0.030 1 415 29 37 ALA HA H 4.008 0.030 1 416 29 37 ALA HB H 1.476 0.030 1 417 29 37 ALA C C 177.606 0.300 1 418 29 37 ALA CA C 55.101 0.300 1 419 29 37 ALA CB C 17.641 0.300 1 420 29 37 ALA N N 120.030 0.300 1 421 30 38 ALA H H 7.681 0.030 1 422 30 38 ALA HA H 4.110 0.030 1 423 30 38 ALA HB H 1.310 0.030 1 424 30 38 ALA C C 178.452 0.300 1 425 30 38 ALA CA C 54.829 0.300 1 426 30 38 ALA CB C 18.008 0.300 1 427 30 38 ALA N N 121.675 0.300 1 428 31 39 CYS H H 8.806 0.030 1 429 31 39 CYS HA H 3.745 0.030 1 430 31 39 CYS HB2 H 2.312 0.030 2 431 31 39 CYS HB3 H 3.089 0.030 2 432 31 39 CYS C C 173.860 0.300 1 433 31 39 CYS CA C 63.819 0.300 1 434 31 39 CYS CB C 27.310 0.300 1 435 31 39 CYS N N 119.413 0.300 1 436 32 40 ARG H H 8.382 0.030 1 437 32 40 ARG HA H 3.919 0.030 1 438 32 40 ARG HB2 H 1.882 0.030 2 439 32 40 ARG HB3 H 1.818 0.030 2 440 32 40 ARG HG2 H 1.426 0.030 2 441 32 40 ARG HG3 H 1.794 0.030 2 442 32 40 ARG HD2 H 3.108 0.030 2 443 32 40 ARG HD3 H 3.108 0.030 2 444 32 40 ARG C C 176.108 0.300 1 445 32 40 ARG CA C 60.532 0.300 1 446 32 40 ARG CB C 29.846 0.300 1 447 32 40 ARG CG C 28.800 0.300 1 448 32 40 ARG CD C 43.200 0.300 1 449 32 40 ARG N N 119.824 0.300 1 450 33 41 GLU H H 7.949 0.030 1 451 33 41 GLU HA H 4.087 0.030 1 452 33 41 GLU HB2 H 2.105 0.030 2 453 33 41 GLU HB3 H 2.105 0.030 2 454 33 41 GLU HG2 H 2.309 0.030 2 455 33 41 GLU HG3 H 2.382 0.030 2 456 33 41 GLU C C 171.786 0.300 1 457 33 41 GLU CA C 59.200 0.300 1 458 33 41 GLU CB C 29.277 0.300 1 459 33 41 GLU CG C 36.101 0.300 1 460 33 41 GLU N N 119.618 0.300 1 461 34 42 GLU H H 7.980 0.030 1 462 34 42 GLU HA H 4.310 0.030 1 463 34 42 GLU HB2 H 1.749 0.030 2 464 34 42 GLU HB3 H 1.957 0.030 2 465 34 42 GLU HG2 H 1.761 0.030 2 466 34 42 GLU HG3 H 2.082 0.030 2 467 34 42 GLU C C 173.408 0.300 1 468 34 42 GLU CA C 58.259 0.300 1 469 34 42 GLU CB C 28.142 0.300 1 470 34 42 GLU CG C 34.500 0.300 1 471 34 42 GLU N N 121.469 0.300 1 472 35 43 PHE H H 8.717 0.030 1 473 35 43 PHE HA H 4.114 0.030 1 474 35 43 PHE HB2 H 3.092 0.030 2 475 35 43 PHE HB3 H 3.143 0.030 2 476 35 43 PHE HD1 H 7.024 0.030 3 477 35 43 PHE HD2 H 7.024 0.030 3 478 35 43 PHE HE1 H 7.052 0.030 3 479 35 43 PHE HE2 H 7.052 0.030 3 480 35 43 PHE HZ H 7.016 0.030 1 481 35 43 PHE C C 175.299 0.300 1 482 35 43 PHE CA C 61.663 0.300 1 483 35 43 PHE CB C 39.207 0.300 1 484 35 43 PHE CD1 C 130.829 0.300 3 485 35 43 PHE CD2 C 130.829 0.300 3 486 35 43 PHE CE1 C 131.484 0.300 3 487 35 43 PHE CE2 C 131.484 0.300 3 488 35 43 PHE CZ C 129.751 0.300 1 489 35 43 PHE N N 119.824 0.300 1 490 36 44 HIS H H 8.105 0.030 1 491 36 44 HIS HA H 4.281 0.030 1 492 36 44 HIS HB2 H 3.308 0.030 2 493 36 44 HIS HB3 H 3.263 0.030 2 494 36 44 HIS HD2 H 7.071 0.030 1 495 36 44 HIS HE1 H 7.923 0.030 1 496 36 44 HIS C C 174.771 0.300 1 497 36 44 HIS CA C 59.537 0.300 1 498 36 44 HIS CB C 29.502 0.300 1 499 36 44 HIS CD2 C 120.404 0.300 1 500 36 44 HIS CE1 C 137.794 0.300 1 501 36 44 HIS N N 116.534 0.300 1 502 37 45 ARG H H 8.278 0.030 1 503 37 45 ARG HA H 3.923 0.030 1 504 37 45 ARG HB2 H 1.996 0.030 2 505 37 45 ARG HB3 H 1.996 0.030 2 506 37 45 ARG HG2 H 1.495 0.030 2 507 37 45 ARG HG3 H 1.699 0.030 2 508 37 45 ARG HD2 H 3.290 0.030 2 509 37 45 ARG HD3 H 3.082 0.030 2 510 37 45 ARG HE H 7.850 0.030 1 511 37 45 ARG C C 176.310 0.300 1 512 37 45 ARG CA C 59.766 0.300 1 513 37 45 ARG CB C 30.279 0.300 1 514 37 45 ARG CG C 27.580 0.300 1 515 37 45 ARG CD C 42.897 0.300 1 516 37 45 ARG N N 120.875 0.300 1 517 37 45 ARG NE N 82.512 0.300 1 518 38 46 ARG H H 8.068 0.030 1 519 38 46 ARG HA H 3.959 0.030 1 520 38 46 ARG HB2 H 1.835 0.030 2 521 38 46 ARG HB3 H 1.900 0.030 2 522 38 46 ARG HG2 H 1.900 0.030 2 523 38 46 ARG HG3 H 1.900 0.030 2 524 38 46 ARG HD2 H 3.119 0.030 2 525 38 46 ARG HD3 H 3.119 0.030 2 526 38 46 ARG HE H 8.823 0.030 1 527 38 46 ARG C C 176.046 0.300 1 528 38 46 ARG CA C 58.834 0.300 1 529 38 46 ARG CB C 29.858 0.300 1 530 38 46 ARG CG C 27.303 0.300 1 531 38 46 ARG CD C 43.341 0.300 1 532 38 46 ARG N N 116.740 0.300 1 533 38 46 ARG NE N 86.102 0.300 1 534 39 47 LEU H H 7.868 0.030 1 535 39 47 LEU HA H 3.931 0.030 1 536 39 47 LEU HB2 H 1.565 0.030 2 537 39 47 LEU HB3 H 1.705 0.030 2 538 39 47 LEU HG H 1.539 0.030 1 539 39 47 LEU HD1 H 0.690 0.030 2 540 39 47 LEU HD2 H 0.755 0.030 2 541 39 47 LEU CA C 59.766 0.300 1 542 39 47 LEU CB C 41.625 0.300 1 543 39 47 LEU CG C 27.211 0.300 1 544 39 47 LEU CD1 C 25.000 0.300 2 545 39 47 LEU CD2 C 23.693 0.300 2 546 39 47 LEU N N 120.441 0.300 1 547 40 48 LYS H H 7.784 0.030 1 548 40 48 LYS HA H 4.079 0.030 1 549 40 48 LYS HB2 H 1.862 0.030 2 550 40 48 LYS HB3 H 2.048 0.030 2 551 40 48 LYS HG2 H 1.349 0.030 2 552 40 48 LYS HG3 H 1.456 0.030 2 553 40 48 LYS HD3 H 1.656 0.030 2 554 40 48 LYS HE3 H 2.882 0.030 2 555 40 48 LYS C C 176.354 0.300 1 556 40 48 LYS CA C 58.157 0.300 1 557 40 48 LYS CB C 32.064 0.300 1 558 40 48 LYS CG C 24.710 0.300 1 559 40 48 LYS CD C 29.116 0.300 1 560 40 48 LYS CE C 42.058 0.300 1 561 40 48 LYS N N 119.413 0.300 1 562 41 49 VAL H H 7.767 0.030 1 563 41 49 VAL HA H 3.828 0.030 1 564 41 49 VAL HB H 2.078 0.030 1 565 41 49 VAL HG1 H 0.992 0.030 2 566 41 49 VAL HG2 H 0.868 0.030 2 567 41 49 VAL C C 174.195 0.300 1 568 41 49 VAL CA C 64.919 0.300 1 569 41 49 VAL CB C 32.309 0.300 1 570 41 49 VAL CG1 C 21.900 0.300 2 571 41 49 VAL CG2 C 21.121 0.300 2 572 41 49 VAL N N 119.618 0.300 1 573 42 50 TYR H H 8.142 0.030 1 574 42 50 TYR HA H 4.164 0.030 1 575 42 50 TYR HB2 H 2.993 0.030 2 576 42 50 TYR HB3 H 2.993 0.030 2 577 42 50 TYR CA C 59.302 0.300 1 578 42 50 TYR CB C 38.286 0.300 1 579 42 50 TYR N N 122.497 0.300 1 580 43 51 HIS H H 8.427 0.030 1 581 43 51 HIS HA H 4.220 0.030 1 582 43 51 HIS HB2 H 3.040 0.030 2 583 43 51 HIS HB3 H 3.040 0.030 2 584 43 51 HIS HD2 H 6.967 0.030 1 585 43 51 HIS HE1 H 7.949 0.030 1 586 43 51 HIS C C 174.214 0.300 1 587 43 51 HIS CA C 57.428 0.300 1 588 43 51 HIS CB C 30.099 0.300 1 589 43 51 HIS CD2 C 119.444 0.300 1 590 43 51 HIS CE1 C 137.736 0.300 1 591 43 51 HIS N N 119.002 0.300 1 592 44 52 ALA H H 8.072 0.030 1 593 44 52 ALA HA H 4.141 0.030 1 594 44 52 ALA HB H 1.445 0.030 1 595 44 52 ALA C C 176.134 0.300 1 596 44 52 ALA CA C 54.098 0.300 1 597 44 52 ALA CB C 18.195 0.300 1 598 44 52 ALA N N 123.731 0.300 1 599 45 53 TRP H H 8.045 0.030 1 600 45 53 TRP HA H 4.349 0.030 1 601 45 53 TRP HB2 H 3.270 0.030 2 602 45 53 TRP HB3 H 3.374 0.030 2 603 45 53 TRP HD1 H 7.223 0.030 1 604 45 53 TRP HE1 H 10.181 0.030 1 605 45 53 TRP HZ2 H 7.380 0.030 1 606 45 53 TRP HZ3 H 7.386 0.030 1 607 45 53 TRP HH2 H 7.154 0.030 1 608 45 53 TRP C C 173.394 0.300 1 609 45 53 TRP CA C 58.776 0.300 1 610 45 53 TRP CB C 28.661 0.300 1 611 45 53 TRP CD1 C 127.176 0.300 1 612 45 53 TRP CZ2 C 114.550 0.300 1 613 45 53 TRP CZ3 C 120.634 0.300 1 614 45 53 TRP CH2 C 124.479 0.300 1 615 45 53 TRP N N 120.614 0.300 1 616 45 53 TRP NE1 N 130.011 0.300 1 617 46 54 LYS H H 8.230 0.030 1 618 46 54 LYS HA H 4.179 0.030 1 619 46 54 LYS HB2 H 1.520 0.030 2 620 46 54 LYS HB3 H 1.603 0.030 2 621 46 54 LYS HG2 H 1.151 0.030 2 622 46 54 LYS HG3 H 1.151 0.030 2 623 46 54 LYS HD2 H 1.482 0.030 2 624 46 54 LYS HD3 H 1.602 0.030 2 625 46 54 LYS HE2 H 2.850 0.030 2 626 46 54 LYS HE3 H 2.850 0.030 2 627 46 54 LYS CA C 56.089 0.300 1 628 46 54 LYS CB C 32.064 0.300 1 629 46 54 LYS CG C 23.729 0.300 1 630 46 54 LYS CD C 28.877 0.300 1 631 46 54 LYS CE C 42.000 0.300 1 632 46 54 LYS N N 121.675 0.300 1 633 47 55 SER H H 7.920 0.030 1 634 47 55 SER HA H 4.163 0.030 1 635 47 55 SER HB2 H 3.812 0.030 2 636 47 55 SER HB3 H 3.812 0.030 2 637 47 55 SER C C 177.387 0.300 1 638 47 55 SER CA C 59.440 0.300 1 639 47 55 SER CB C 63.319 0.300 1 640 47 55 SER N N 114.683 0.300 1 641 48 56 LYS H H 7.907 0.030 1 642 48 56 LYS HA H 4.161 0.030 1 643 48 56 LYS HB2 H 1.701 0.030 2 644 48 56 LYS HB3 H 1.770 0.030 2 645 48 56 LYS HG2 H 1.358 0.030 2 646 48 56 LYS HG3 H 1.358 0.030 2 647 48 56 LYS HD2 H 1.602 0.030 2 648 48 56 LYS HD3 H 1.602 0.030 2 649 48 56 LYS HE2 H 2.918 0.030 2 650 48 56 LYS HE3 H 2.918 0.030 2 651 48 56 LYS C C 174.830 0.300 1 652 48 56 LYS CA C 57.069 0.300 1 653 48 56 LYS CB C 32.787 0.300 1 654 48 56 LYS CG C 24.671 0.300 1 655 48 56 LYS CD C 29.116 0.300 1 656 48 56 LYS CE C 41.803 0.300 1 657 48 56 LYS N N 122.086 0.300 1 658 49 57 ASN H H 8.019 0.030 1 659 49 57 ASN HA H 4.527 0.030 1 660 49 57 ASN HB2 H 2.289 0.030 2 661 49 57 ASN HB3 H 2.561 0.030 2 662 49 57 ASN HD21 H 7.306 0.030 2 663 49 57 ASN HD22 H 6.745 0.030 2 664 49 57 ASN C C 175.845 0.300 1 665 49 57 ASN CA C 53.348 0.300 1 666 49 57 ASN CB C 38.842 0.300 1 667 49 57 ASN N N 118.385 0.300 1 668 49 57 ASN ND2 N 113.655 0.300 1 669 50 58 LYS H H 8.039 0.030 1 670 50 58 LYS HA H 4.195 0.030 1 671 50 58 LYS HB2 H 1.698 0.030 2 672 50 58 LYS HB3 H 1.776 0.030 2 673 50 58 LYS HG2 H 1.336 0.030 2 674 50 58 LYS HG3 H 1.336 0.030 2 675 50 58 LYS HD2 H 1.623 0.030 2 676 50 58 LYS HD3 H 1.623 0.030 2 677 50 58 LYS HE2 H 2.887 0.030 2 678 50 58 LYS HE3 H 2.887 0.030 2 679 50 58 LYS C C 175.343 0.300 1 680 50 58 LYS CA C 56.489 0.300 1 681 50 58 LYS CB C 32.711 0.300 1 682 50 58 LYS CG C 24.668 0.300 1 683 50 58 LYS CD C 28.878 0.300 1 684 50 58 LYS CE C 41.851 0.300 1 685 50 58 LYS N N 121.675 0.300 1 686 51 59 LYS H H 8.348 0.030 1 687 51 59 LYS HA H 4.225 0.030 1 688 51 59 LYS HB2 H 1.701 0.030 2 689 51 59 LYS HB3 H 1.788 0.030 2 690 51 59 LYS HG2 H 1.379 0.030 2 691 51 59 LYS HG3 H 1.379 0.030 2 692 51 59 LYS HD2 H 1.576 0.030 2 693 51 59 LYS HD3 H 1.576 0.030 2 694 51 59 LYS HE2 H 2.988 0.030 2 695 51 59 LYS HE3 H 2.988 0.030 2 696 51 59 LYS C C 172.827 0.300 1 697 51 59 LYS CA C 56.213 0.300 1 698 51 59 LYS CB C 32.913 0.300 1 699 51 59 LYS CG C 24.678 0.300 1 700 51 59 LYS CD C 28.934 0.300 1 701 51 59 LYS CE C 42.103 0.300 1 702 51 59 LYS N N 123.434 0.300 1 703 52 60 ARG H H 8.060 0.030 1 704 52 60 ARG HA H 4.099 0.030 1 705 52 60 ARG HB2 H 1.663 0.030 2 706 52 60 ARG HB3 H 1.786 0.030 2 707 52 60 ARG HG2 H 1.541 0.030 2 708 52 60 ARG HG3 H 1.541 0.030 2 709 52 60 ARG HD2 H 3.117 0.030 2 710 52 60 ARG HD3 H 3.117 0.030 2 711 52 60 ARG C C 178.201 0.300 1 712 52 60 ARG CA C 57.364 0.300 1 713 52 60 ARG CB C 31.353 0.300 1 714 52 60 ARG CG C 27.234 0.300 1 715 52 60 ARG CD C 43.316 0.300 1 716 52 60 ARG N N 128.201 0.300 1 stop_ save_