data_25543 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of human Myosin VI isoform3 (998-1071) ; _BMRB_accession_number 25543 _BMRB_flat_file_name bmr25543.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 . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 449 "13C chemical shifts" 294 "15N chemical shifts" 82 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' 25542 'MyUb (1080-1131) of human Myosin VI' 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 'human Myosin VI isoform3 (998-1071)' _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 8399.430 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 74 _Mol_residue_sequence ; QQQAVLEQERRDRELALRIA QSEAELISDEAQADLALRRS LDSYPVSKNDGTRPKMTPEQ MAKEMSEFLSRGPA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 6 GLN 2 7 GLN 3 8 GLN 4 9 ALA 5 10 VAL 6 11 LEU 7 12 GLU 8 13 GLN 9 14 GLU 10 15 ARG 11 16 ARG 12 17 ASP 13 18 ARG 14 19 GLU 15 20 LEU 16 21 ALA 17 22 LEU 18 23 ARG 19 24 ILE 20 25 ALA 21 26 GLN 22 27 SER 23 28 GLU 24 29 ALA 25 30 GLU 26 31 LEU 27 32 ILE 28 33 SER 29 34 ASP 30 35 GLU 31 36 ALA 32 37 GLN 33 38 ALA 34 39 ASP 35 40 LEU 36 41 ALA 37 42 LEU 38 43 ARG 39 44 ARG 40 45 SER 41 46 LEU 42 47 ASP 43 48 SER 44 49 TYR 45 50 PRO 46 51 VAL 47 52 SER 48 53 LYS 49 54 ASN 50 55 ASP 51 56 GLY 52 57 THR 53 58 ARG 54 59 PRO 55 60 LYS 56 61 MET 57 62 THR 58 63 PRO 59 64 GLU 60 65 GLN 61 66 MET 62 67 ALA 63 68 LYS 64 69 GLU 65 70 MET 66 71 SER 67 72 GLU 68 73 PHE 69 74 LEU 70 75 SER 71 76 ARG 72 77 GLY 73 78 PRO 74 79 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # 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_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 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 6 1 GLN HA H 4.269 0.030 1 2 6 1 GLN HB2 H 2.047 0.030 2 3 6 1 GLN HB3 H 2.118 0.030 2 4 6 1 GLN HG2 H 2.391 0.030 2 5 6 1 GLN HG3 H 2.391 0.030 2 6 6 1 GLN HE21 H 6.929 0.030 2 7 6 1 GLN HE22 H 7.561 0.030 2 8 6 1 GLN H H 8.677 0.030 1 9 6 1 GLN C C 174.269 0.300 1 10 6 1 GLN CA C 57.344 0.300 1 11 6 1 GLN CB C 28.604 0.300 1 12 6 1 GLN CG C 33.701 0.300 1 13 6 1 GLN N N 122.954 0.300 1 14 6 1 GLN NE2 N 112.834 0.300 1 15 7 2 GLN H H 8.340 0.030 1 16 7 2 GLN HA H 4.135 0.030 1 17 7 2 GLN HB2 H 2.068 0.030 2 18 7 2 GLN HB3 H 2.068 0.030 2 19 7 2 GLN HG2 H 2.411 0.030 2 20 7 2 GLN HG3 H 2.411 0.030 2 21 7 2 GLN HE21 H 7.564 0.030 2 22 7 2 GLN HE22 H 6.962 0.030 2 23 7 2 GLN C C 174.902 0.300 1 24 7 2 GLN CA C 57.318 0.300 1 25 7 2 GLN CB C 28.700 0.300 1 26 7 2 GLN CG C 33.882 0.300 1 27 7 2 GLN N N 120.283 0.300 1 28 7 2 GLN NE2 N 112.500 0.300 1 29 8 3 GLN H H 8.434 0.030 1 30 8 3 GLN HA H 4.047 0.030 1 31 8 3 GLN HB2 H 2.077 0.030 2 32 8 3 GLN HB3 H 2.077 0.030 2 33 8 3 GLN HG2 H 2.385 0.030 2 34 8 3 GLN HG3 H 2.385 0.030 2 35 8 3 GLN HE21 H 6.893 0.030 2 36 8 3 GLN HE22 H 7.680 0.030 2 37 8 3 GLN C C 174.564 0.300 1 38 8 3 GLN CA C 58.101 0.300 1 39 8 3 GLN CB C 28.494 0.300 1 40 8 3 GLN CG C 33.943 0.300 1 41 8 3 GLN N N 120.710 0.300 1 42 8 3 GLN NE2 N 112.751 0.300 1 43 9 4 ALA H H 8.144 0.030 1 44 9 4 ALA HA H 4.193 0.030 1 45 9 4 ALA HB H 1.463 0.030 1 46 9 4 ALA C C 177.504 0.300 1 47 9 4 ALA CA C 54.582 0.300 1 48 9 4 ALA CB C 18.131 0.300 1 49 9 4 ALA N N 122.740 0.300 1 50 10 5 VAL H H 7.854 0.030 1 51 10 5 VAL HA H 3.795 0.030 1 52 10 5 VAL HB H 2.124 0.030 1 53 10 5 VAL HG1 H 1.028 0.030 2 54 10 5 VAL HG2 H 0.929 0.030 2 55 10 5 VAL C C 175.143 0.300 1 56 10 5 VAL CA C 65.426 0.300 1 57 10 5 VAL CB C 32.068 0.300 1 58 10 5 VAL CG1 C 22.129 0.300 2 59 10 5 VAL CG2 C 21.160 0.300 2 60 10 5 VAL N N 120.344 0.300 1 61 11 6 LEU H H 7.936 0.030 1 62 11 6 LEU HA H 4.135 0.030 1 63 11 6 LEU HB2 H 1.820 0.030 2 64 11 6 LEU HB3 H 1.571 0.030 2 65 11 6 LEU HG H 1.697 0.030 1 66 11 6 LEU HD1 H 0.896 0.030 2 67 11 6 LEU HD2 H 0.858 0.030 2 68 11 6 LEU C C 177.143 0.300 1 69 11 6 LEU CA C 57.690 0.300 1 70 11 6 LEU CB C 41.643 0.300 1 71 11 6 LEU CG C 26.851 0.300 1 72 11 6 LEU CD1 C 24.630 0.300 2 73 11 6 LEU CD2 C 23.406 0.300 2 74 11 6 LEU N N 121.896 0.300 1 75 12 7 GLU H H 8.310 0.030 1 76 12 7 GLU HA H 4.140 0.030 1 77 12 7 GLU HB2 H 2.025 0.030 2 78 12 7 GLU HB3 H 2.080 0.030 2 79 12 7 GLU HG2 H 2.336 0.030 2 80 12 7 GLU HG3 H 2.336 0.030 2 81 12 7 GLU C C 175.602 0.300 1 82 12 7 GLU CA C 58.506 0.300 1 83 12 7 GLU CB C 29.257 0.300 1 84 12 7 GLU CG C 36.580 0.300 1 85 12 7 GLU N N 120.197 0.300 1 86 13 8 GLN H H 8.073 0.030 1 87 13 8 GLN HA H 3.918 0.030 1 88 13 8 GLN HB2 H 2.187 0.030 2 89 13 8 GLN HB3 H 2.187 0.030 2 90 13 8 GLN HG2 H 2.385 0.030 2 91 13 8 GLN HG3 H 2.385 0.030 2 92 13 8 GLN HE21 H 6.976 0.030 2 93 13 8 GLN HE22 H 7.921 0.030 2 94 13 8 GLN C C 174.656 0.300 1 95 13 8 GLN CA C 58.421 0.300 1 96 13 8 GLN CB C 28.104 0.300 1 97 13 8 GLN CG C 33.479 0.300 1 98 13 8 GLN N N 120.843 0.300 1 99 13 8 GLN NE2 N 116.042 0.300 1 100 14 9 GLU H H 8.340 0.030 1 101 14 9 GLU HA H 4.098 0.030 1 102 14 9 GLU HB2 H 2.024 0.030 2 103 14 9 GLU HB3 H 2.142 0.030 2 104 14 9 GLU HG2 H 2.503 0.030 2 105 14 9 GLU HG3 H 2.237 0.030 2 106 14 9 GLU C C 176.412 0.300 1 107 14 9 GLU CA C 59.276 0.300 1 108 14 9 GLU CB C 29.319 0.300 1 109 14 9 GLU CG C 36.574 0.300 1 110 14 9 GLU N N 119.589 0.300 1 111 15 10 ARG H H 7.995 0.030 1 112 15 10 ARG HA H 3.980 0.030 1 113 15 10 ARG HB2 H 1.898 0.030 2 114 15 10 ARG HB3 H 1.979 0.030 2 115 15 10 ARG HG2 H 1.527 0.030 2 116 15 10 ARG HG3 H 1.718 0.030 2 117 15 10 ARG HD2 H 3.133 0.030 2 118 15 10 ARG HD3 H 3.214 0.030 2 119 15 10 ARG HE H 7.604 0.030 1 120 15 10 ARG C C 175.896 0.300 1 121 15 10 ARG CA C 59.503 0.300 1 122 15 10 ARG CB C 29.834 0.300 1 123 15 10 ARG CG C 27.116 0.300 1 124 15 10 ARG CD C 43.388 0.300 1 125 15 10 ARG N N 120.353 0.300 1 126 15 10 ARG NE N 83.634 0.300 1 127 16 11 ARG H H 8.169 0.030 1 128 16 11 ARG HA H 4.034 0.030 1 129 16 11 ARG HB2 H 1.903 0.030 2 130 16 11 ARG HB3 H 1.977 0.030 2 131 16 11 ARG HG2 H 1.817 0.030 2 132 16 11 ARG HG3 H 1.601 0.030 2 133 16 11 ARG HD2 H 3.195 0.030 2 134 16 11 ARG HD3 H 3.195 0.030 2 135 16 11 ARG HE H 7.396 0.030 1 136 16 11 ARG C C 176.476 0.300 1 137 16 11 ARG CA C 59.368 0.300 1 138 16 11 ARG CB C 29.832 0.300 1 139 16 11 ARG CG C 27.668 0.300 1 140 16 11 ARG CD C 43.365 0.300 1 141 16 11 ARG N N 120.490 0.300 1 142 16 11 ARG NE N 84.514 0.300 1 143 17 12 ASP H H 8.684 0.030 1 144 17 12 ASP HA H 4.439 0.030 1 145 17 12 ASP HB2 H 2.638 0.030 2 146 17 12 ASP HB3 H 2.802 0.030 2 147 17 12 ASP C C 176.291 0.300 1 148 17 12 ASP CA C 57.252 0.300 1 149 17 12 ASP CB C 39.909 0.300 1 150 17 12 ASP N N 120.965 0.300 1 151 18 13 ARG H H 8.183 0.030 1 152 18 13 ARG HA H 4.131 0.030 1 153 18 13 ARG HB2 H 1.979 0.030 2 154 18 13 ARG HB3 H 1.904 0.030 2 155 18 13 ARG HG2 H 1.597 0.030 2 156 18 13 ARG HG3 H 1.801 0.030 2 157 18 13 ARG HD2 H 3.202 0.030 2 158 18 13 ARG HD3 H 3.202 0.030 2 159 18 13 ARG HE H 7.372 0.030 1 160 18 13 ARG C C 175.897 0.300 1 161 18 13 ARG CA C 59.153 0.300 1 162 18 13 ARG CB C 30.127 0.300 1 163 18 13 ARG CG C 27.696 0.300 1 164 18 13 ARG CD C 43.454 0.300 1 165 18 13 ARG N N 122.128 0.300 1 166 18 13 ARG NE N 84.230 0.300 1 167 19 14 GLU H H 8.207 0.030 1 168 19 14 GLU HA H 4.017 0.030 1 169 19 14 GLU HB2 H 2.075 0.030 2 170 19 14 GLU HB3 H 2.128 0.030 2 171 19 14 GLU HG2 H 2.464 0.030 2 172 19 14 GLU HG3 H 2.245 0.030 2 173 19 14 GLU C C 172.902 0.300 1 174 19 14 GLU CA C 59.189 0.300 1 175 19 14 GLU CB C 29.304 0.300 1 176 19 14 GLU CG C 36.560 0.300 1 177 19 14 GLU N N 120.044 0.300 1 178 20 15 LEU H H 8.102 0.030 1 179 20 15 LEU HA H 4.132 0.030 1 180 20 15 LEU HB2 H 1.747 0.030 2 181 20 15 LEU HB3 H 1.747 0.030 2 182 20 15 LEU HG H 1.725 0.030 1 183 20 15 LEU HD1 H 0.940 0.030 2 184 20 15 LEU HD2 H 0.879 0.030 2 185 20 15 LEU C C 174.935 0.300 1 186 20 15 LEU CA C 57.876 0.300 1 187 20 15 LEU CB C 41.670 0.300 1 188 20 15 LEU CG C 26.796 0.300 1 189 20 15 LEU CD1 C 24.070 0.300 2 190 20 15 LEU CD2 C 24.100 0.300 2 191 20 15 LEU N N 121.172 0.300 1 192 21 16 ALA H H 7.864 0.030 1 193 21 16 ALA HA H 4.087 0.030 1 194 21 16 ALA HB H 1.472 0.030 1 195 21 16 ALA C C 177.689 0.300 1 196 21 16 ALA CA C 54.670 0.300 1 197 21 16 ALA CB C 17.987 0.300 1 198 21 16 ALA N N 120.754 0.300 1 199 22 17 LEU H H 7.901 0.030 1 200 22 17 LEU HA H 4.177 0.030 1 201 22 17 LEU HB2 H 1.778 0.030 2 202 22 17 LEU HB3 H 1.631 0.030 2 203 22 17 LEU HG H 1.645 0.030 1 204 22 17 LEU HD1 H 0.873 0.030 2 205 22 17 LEU HD2 H 0.878 0.030 2 206 22 17 LEU C C 175.842 0.300 1 207 22 17 LEU CA C 57.057 0.300 1 208 22 17 LEU CB C 41.963 0.300 1 209 22 17 LEU CG C 26.944 0.300 1 210 22 17 LEU CD1 C 24.954 0.300 2 211 22 17 LEU CD2 C 23.799 0.300 2 212 22 17 LEU N N 119.357 0.300 1 213 23 18 ARG H H 7.890 0.030 1 214 23 18 ARG HA H 4.151 0.030 1 215 23 18 ARG HB2 H 1.967 0.030 2 216 23 18 ARG HB3 H 1.964 0.030 2 217 23 18 ARG HG2 H 1.650 0.030 2 218 23 18 ARG HG3 H 1.778 0.030 2 219 23 18 ARG HD2 H 3.182 0.030 2 220 23 18 ARG HD3 H 3.182 0.030 2 221 23 18 ARG HE H 7.448 0.030 1 222 23 18 ARG C C 176.236 0.300 1 223 23 18 ARG CA C 58.534 0.300 1 224 23 18 ARG CB C 30.157 0.300 1 225 23 18 ARG CG C 27.369 0.300 1 226 23 18 ARG CD C 43.340 0.300 1 227 23 18 ARG N N 120.416 0.300 1 228 23 18 ARG NE N 84.451 0.300 1 229 24 19 ILE H H 8.254 0.030 1 230 24 19 ILE HA H 3.877 0.030 1 231 24 19 ILE HB H 1.865 0.030 1 232 24 19 ILE HG12 H 1.172 0.030 2 233 24 19 ILE HG13 H 1.615 0.030 2 234 24 19 ILE HG2 H 0.886 0.030 1 235 24 19 ILE HD1 H 0.821 0.030 1 236 24 19 ILE C C 174.946 0.300 1 237 24 19 ILE CA C 63.614 0.300 1 238 24 19 ILE CB C 38.215 0.300 1 239 24 19 ILE CG1 C 28.388 0.300 1 240 24 19 ILE CG2 C 17.128 0.300 1 241 24 19 ILE CD1 C 12.966 0.300 1 242 24 19 ILE N N 121.088 0.300 1 243 25 20 ALA H H 8.053 0.030 1 244 25 20 ALA HA H 4.222 0.030 1 245 25 20 ALA HB H 1.463 0.030 1 246 25 20 ALA C C 176.883 0.300 1 247 25 20 ALA CA C 54.073 0.300 1 248 25 20 ALA CB C 18.477 0.300 1 249 25 20 ALA N N 124.216 0.300 1 250 26 21 GLN H H 8.269 0.030 1 251 26 21 GLN HA H 4.203 0.030 1 252 26 21 GLN HB2 H 2.121 0.030 2 253 26 21 GLN HB3 H 2.121 0.030 2 254 26 21 GLN HG2 H 2.480 0.030 2 255 26 21 GLN HG3 H 2.386 0.030 2 256 26 21 GLN HE21 H 6.872 0.030 2 257 26 21 GLN HE22 H 7.620 0.030 2 258 26 21 GLN C C 174.564 0.300 1 259 26 21 GLN CA C 57.219 0.300 1 260 26 21 GLN CB C 28.869 0.300 1 261 26 21 GLN CG C 33.893 0.300 1 262 26 21 GLN N N 118.617 0.300 1 263 26 21 GLN NE2 N 112.304 0.300 1 264 27 22 SER H H 8.195 0.030 1 265 27 22 SER HA H 4.350 0.030 1 266 27 22 SER HB2 H 3.939 0.030 2 267 27 22 SER HB3 H 3.973 0.030 2 268 27 22 SER C C 172.902 0.300 1 269 27 22 SER CA C 59.941 0.300 1 270 27 22 SER CB C 63.458 0.300 1 271 27 22 SER N N 116.340 0.300 1 272 28 23 GLU H H 8.316 0.030 1 273 28 23 GLU HA H 4.167 0.030 1 274 28 23 GLU HB2 H 2.020 0.030 2 275 28 23 GLU HB3 H 2.020 0.030 2 276 28 23 GLU HG2 H 2.363 0.030 2 277 28 23 GLU HG3 H 2.235 0.030 2 278 28 23 GLU C C 174.568 0.300 1 279 28 23 GLU CA C 57.876 0.300 1 280 28 23 GLU CB C 29.960 0.300 1 281 28 23 GLU CG C 36.409 0.300 1 282 28 23 GLU N N 122.168 0.300 1 283 29 24 ALA H H 8.029 0.030 1 284 29 24 ALA HA H 4.203 0.030 1 285 29 24 ALA HB H 1.415 0.030 1 286 29 24 ALA C C 176.938 0.300 1 287 29 24 ALA CA C 53.357 0.300 1 288 29 24 ALA CB C 18.853 0.300 1 289 29 24 ALA N N 122.950 0.300 1 290 30 25 GLU H H 8.104 0.030 1 291 30 25 GLU HA H 4.154 0.030 1 292 30 25 GLU HB2 H 1.998 0.030 2 293 30 25 GLU HB3 H 2.015 0.030 2 294 30 25 GLU HG2 H 2.234 0.030 2 295 30 25 GLU HG3 H 2.346 0.030 2 296 30 25 GLU C C 174.531 0.300 1 297 30 25 GLU CA C 57.089 0.300 1 298 30 25 GLU CB C 29.941 0.300 1 299 30 25 GLU CG C 36.369 0.300 1 300 30 25 GLU N N 119.092 0.300 1 301 31 26 LEU H H 8.016 0.030 1 302 31 26 LEU HA H 4.288 0.030 1 303 31 26 LEU HB2 H 1.566 0.030 2 304 31 26 LEU HB3 H 1.681 0.030 2 305 31 26 LEU HG H 1.602 0.030 1 306 31 26 LEU HD1 H 0.883 0.030 2 307 31 26 LEU HD2 H 0.838 0.030 2 308 31 26 LEU C C 176.006 0.300 1 309 31 26 LEU CA C 55.698 0.300 1 310 31 26 LEU CB C 42.118 0.300 1 311 31 26 LEU CG C 26.732 0.300 1 312 31 26 LEU CD1 C 25.007 0.300 2 313 31 26 LEU CD2 C 23.694 0.300 2 314 31 26 LEU N N 122.322 0.300 1 315 32 27 ILE H H 8.050 0.030 1 316 32 27 ILE HA H 4.152 0.030 1 317 32 27 ILE HB H 1.881 0.030 1 318 32 27 ILE HG12 H 1.497 0.030 2 319 32 27 ILE HG13 H 1.184 0.030 2 320 32 27 ILE HG2 H 0.895 0.030 1 321 32 27 ILE HD1 H 0.813 0.030 1 322 32 27 ILE CA C 61.344 0.300 1 323 32 27 ILE CB C 38.529 0.300 1 324 32 27 ILE CG1 C 27.366 0.300 1 325 32 27 ILE CG2 C 17.429 0.300 1 326 32 27 ILE CD1 C 12.865 0.300 1 327 32 27 ILE N N 121.365 0.300 1 328 33 28 SER H H 8.391 0.030 1 329 33 28 SER HA H 4.409 0.030 1 330 33 28 SER HB2 H 4.011 0.030 2 331 33 28 SER HB3 H 3.896 0.030 2 332 33 28 SER CA C 58.468 0.300 1 333 33 28 SER CB C 64.021 0.300 1 334 33 28 SER N N 120.203 0.300 1 335 34 29 ASP H H 8.629 0.030 1 336 34 29 ASP HA H 4.494 0.030 1 337 34 29 ASP HB2 H 2.678 0.030 2 338 34 29 ASP HB3 H 2.678 0.030 2 339 34 29 ASP C C 175.121 0.300 1 340 34 29 ASP CA C 55.680 0.300 1 341 34 29 ASP CB C 40.678 0.300 1 342 34 29 ASP N N 123.136 0.300 1 343 35 30 GLU H H 8.579 0.030 1 344 35 30 GLU HA H 4.108 0.030 1 345 35 30 GLU HB2 H 1.966 0.030 2 346 35 30 GLU HB3 H 2.006 0.030 2 347 35 30 GLU HG2 H 2.297 0.030 2 348 35 30 GLU HG3 H 2.261 0.030 2 349 35 30 GLU C C 174.886 0.300 1 350 35 30 GLU CA C 58.585 0.300 1 351 35 30 GLU CB C 29.533 0.300 1 352 35 30 GLU CG C 36.571 0.300 1 353 35 30 GLU N N 121.638 0.300 1 354 36 31 ALA H H 8.235 0.030 1 355 36 31 ALA HA H 4.229 0.030 1 356 36 31 ALA HB H 1.443 0.030 1 357 36 31 ALA C C 177.012 0.300 1 358 36 31 ALA CA C 53.808 0.300 1 359 36 31 ALA CB C 18.545 0.300 1 360 36 31 ALA N N 123.946 0.300 1 361 37 32 GLN H H 8.295 0.030 1 362 37 32 GLN HA H 4.126 0.030 1 363 37 32 GLN HB2 H 2.065 0.030 2 364 37 32 GLN HB3 H 2.140 0.030 2 365 37 32 GLN HG2 H 2.385 0.030 2 366 37 32 GLN HG3 H 2.441 0.030 2 367 37 32 GLN HE21 H 6.900 0.030 2 368 37 32 GLN HE22 H 7.571 0.030 2 369 37 32 GLN C C 174.897 0.300 1 370 37 32 GLN CA C 57.401 0.300 1 371 37 32 GLN CB C 28.781 0.300 1 372 37 32 GLN CG C 33.868 0.300 1 373 37 32 GLN N N 118.885 0.300 1 374 37 32 GLN NE2 N 112.995 0.300 1 375 38 33 ALA H H 8.217 0.030 1 376 38 33 ALA HA H 4.174 0.030 1 377 38 33 ALA HB H 1.434 0.030 1 378 38 33 ALA CA C 54.096 0.300 1 379 38 33 ALA CB C 18.456 0.300 1 380 38 33 ALA N N 124.163 0.300 1 381 39 34 ASP H H 8.145 0.030 1 382 39 34 ASP HA H 4.476 0.030 1 383 39 34 ASP HB2 H 2.682 0.030 2 384 39 34 ASP HB3 H 2.682 0.030 2 385 39 34 ASP CA C 55.844 0.300 1 386 39 34 ASP CB C 40.979 0.300 1 387 39 34 ASP N N 119.226 0.300 1 388 40 35 LEU H H 8.018 0.030 1 389 40 35 LEU HA H 4.065 0.030 1 390 40 35 LEU HB2 H 1.593 0.030 2 391 40 35 LEU HB3 H 1.709 0.030 2 392 40 35 LEU HG H 1.642 0.030 1 393 40 35 LEU HD1 H 0.887 0.030 2 394 40 35 LEU HD2 H 0.847 0.030 2 395 40 35 LEU CA C 57.130 0.300 1 396 40 35 LEU CB C 41.962 0.300 1 397 40 35 LEU CG C 26.868 0.300 1 398 40 35 LEU CD1 C 24.632 0.300 2 399 40 35 LEU CD2 C 23.819 0.300 2 400 40 35 LEU N N 121.976 0.300 1 401 41 36 ALA H H 8.076 0.030 1 402 41 36 ALA HA H 4.100 0.030 1 403 41 36 ALA HB H 1.429 0.030 1 404 41 36 ALA CA C 54.059 0.300 1 405 41 36 ALA CB C 18.196 0.300 1 406 41 36 ALA N N 121.547 0.300 1 407 42 37 LEU H H 7.832 0.030 1 408 42 37 LEU HA H 4.197 0.030 1 409 42 37 LEU HB2 H 1.701 0.030 2 410 42 37 LEU HB3 H 1.701 0.030 2 411 42 37 LEU HG H 1.623 0.030 1 412 42 37 LEU HD1 H 0.873 0.030 2 413 42 37 LEU HD2 H 0.906 0.030 2 414 42 37 LEU CA C 56.402 0.300 1 415 42 37 LEU CB C 42.026 0.300 1 416 42 37 LEU CG C 27.136 0.300 1 417 42 37 LEU CD1 C 24.697 0.300 2 418 42 37 LEU CD2 C 24.515 0.300 2 419 42 37 LEU N N 119.599 0.300 1 420 43 38 ARG H H 8.047 0.030 1 421 43 38 ARG HA H 4.121 0.030 1 422 43 38 ARG HB2 H 1.871 0.030 2 423 43 38 ARG HB3 H 1.836 0.030 2 424 43 38 ARG HG2 H 1.620 0.030 2 425 43 38 ARG HG3 H 1.706 0.030 2 426 43 38 ARG HD2 H 3.135 0.030 2 427 43 38 ARG HD3 H 3.135 0.030 2 428 43 38 ARG CA C 57.678 0.300 1 429 43 38 ARG CB C 30.194 0.300 1 430 43 38 ARG CG C 27.353 0.300 1 431 43 38 ARG CD C 43.426 0.300 1 432 43 38 ARG N N 120.126 0.300 1 433 44 39 ARG H H 8.206 0.030 1 434 44 39 ARG HA H 4.239 0.030 1 435 44 39 ARG HB2 H 1.799 0.030 2 436 44 39 ARG HB3 H 1.844 0.030 2 437 44 39 ARG HG2 H 1.588 0.030 2 438 44 39 ARG HG3 H 1.688 0.030 2 439 44 39 ARG HD2 H 3.135 0.030 2 440 44 39 ARG HD3 H 3.135 0.030 2 441 44 39 ARG C C 173.165 0.300 1 442 44 39 ARG CA C 57.111 0.300 1 443 44 39 ARG CB C 30.592 0.300 1 444 44 39 ARG CG C 27.345 0.300 1 445 44 39 ARG CD C 43.373 0.300 1 446 44 39 ARG N N 120.206 0.300 1 447 45 40 SER H H 8.171 0.030 1 448 45 40 SER HA H 4.369 0.030 1 449 45 40 SER HB2 H 3.935 0.030 2 450 45 40 SER HB3 H 3.935 0.030 2 451 45 40 SER C C 170.903 0.300 1 452 45 40 SER CA C 59.151 0.300 1 453 45 40 SER CB C 63.539 0.300 1 454 45 40 SER N N 116.312 0.300 1 455 46 41 LEU H H 8.168 0.030 1 456 46 41 LEU HA H 4.290 0.030 1 457 46 41 LEU HB2 H 1.683 0.030 2 458 46 41 LEU HB3 H 1.559 0.030 2 459 46 41 LEU HG H 1.688 0.030 1 460 46 41 LEU HD1 H 0.852 0.030 2 461 46 41 LEU HD2 H 0.824 0.030 2 462 46 41 LEU CA C 55.719 0.300 1 463 46 41 LEU CB C 42.071 0.300 1 464 46 41 LEU CG C 26.879 0.300 1 465 46 41 LEU CD1 C 23.608 0.300 2 466 46 41 LEU CD2 C 23.043 0.300 2 467 46 41 LEU N N 123.524 0.300 1 468 47 42 ASP H H 8.154 0.030 1 469 47 42 ASP HA H 4.537 0.030 1 470 47 42 ASP HB2 H 2.600 0.030 2 471 47 42 ASP HB3 H 2.648 0.030 2 472 47 42 ASP C C 173.143 0.300 1 473 47 42 ASP CA C 54.739 0.300 1 474 47 42 ASP CB C 40.937 0.300 1 475 47 42 ASP N N 119.853 0.300 1 476 48 43 SER H H 7.960 0.030 1 477 48 43 SER HA H 4.340 0.030 1 478 48 43 SER HB2 H 3.722 0.030 2 479 48 43 SER HB3 H 3.762 0.030 2 480 48 43 SER C C 170.816 0.300 1 481 48 43 SER CA C 58.345 0.300 1 482 48 43 SER CB C 63.835 0.300 1 483 48 43 SER N N 114.867 0.300 1 484 49 44 TYR H H 8.102 0.030 1 485 49 44 TYR HA H 4.735 0.030 1 486 49 44 TYR HB2 H 3.022 0.030 2 487 49 44 TYR HB3 H 2.856 0.030 2 488 49 44 TYR HD1 H 7.123 0.030 3 489 49 44 TYR HD2 H 7.123 0.030 3 490 49 44 TYR HE1 H 6.781 0.030 3 491 49 44 TYR HE2 H 6.781 0.030 3 492 49 44 TYR CA C 56.141 0.300 1 493 49 44 TYR CB C 38.144 0.300 1 494 49 44 TYR CD1 C 133.425 0.300 3 495 49 44 TYR CD2 C 133.425 0.300 3 496 49 44 TYR CE1 C 118.131 0.300 3 497 49 44 TYR CE2 C 118.131 0.300 3 498 49 44 TYR N N 123.355 0.300 1 499 50 45 PRO HA H 4.427 0.030 1 500 50 45 PRO HB2 H 2.210 0.030 2 501 50 45 PRO HB3 H 1.846 0.030 2 502 50 45 PRO HG2 H 1.930 0.030 2 503 50 45 PRO HG3 H 1.930 0.030 2 504 50 45 PRO HD2 H 3.381 0.030 2 505 50 45 PRO HD3 H 3.687 0.030 2 506 50 45 PRO C C 173.908 0.300 1 507 50 45 PRO CA C 63.045 0.300 1 508 50 45 PRO CB C 31.892 0.300 1 509 50 45 PRO CG C 27.387 0.300 1 510 50 45 PRO CD C 50.512 0.300 1 511 51 46 VAL H H 8.270 0.030 1 512 51 46 VAL HA H 4.088 0.030 1 513 51 46 VAL HB H 2.044 0.030 1 514 51 46 VAL HG1 H 0.948 0.030 2 515 51 46 VAL HG2 H 0.926 0.030 2 516 51 46 VAL C C 173.504 0.300 1 517 51 46 VAL CA C 62.302 0.300 1 518 51 46 VAL CB C 32.866 0.300 1 519 51 46 VAL CG1 C 20.621 0.300 2 520 51 46 VAL CG2 C 21.148 0.300 2 521 51 46 VAL N N 120.746 0.300 1 522 52 47 SER H H 8.493 0.030 1 523 52 47 SER HA H 4.429 0.030 1 524 52 47 SER HB2 H 3.815 0.030 2 525 52 47 SER HB3 H 3.849 0.030 2 526 52 47 SER C C 171.799 0.300 1 527 52 47 SER CA C 58.088 0.300 1 528 52 47 SER CB C 63.948 0.300 1 529 52 47 SER N N 119.837 0.300 1 530 53 48 LYS H H 8.531 0.030 1 531 53 48 LYS HA H 4.271 0.030 1 532 53 48 LYS HB2 H 1.714 0.030 2 533 53 48 LYS HB3 H 1.803 0.030 2 534 53 48 LYS HG2 H 1.405 0.030 2 535 53 48 LYS HG3 H 1.367 0.030 2 536 53 48 LYS HD2 H 1.632 0.030 2 537 53 48 LYS HD3 H 1.632 0.030 2 538 53 48 LYS HE2 H 2.938 0.030 2 539 53 48 LYS HE3 H 2.938 0.030 2 540 53 48 LYS C C 173.547 0.300 1 541 53 48 LYS CA C 56.500 0.300 1 542 53 48 LYS CB C 32.967 0.300 1 543 53 48 LYS CG C 24.691 0.300 1 544 53 48 LYS CD C 28.978 0.300 1 545 53 48 LYS CE C 42.001 0.300 1 546 53 48 LYS N N 123.948 0.300 1 547 54 49 ASN H H 8.532 0.030 1 548 54 49 ASN HA H 4.699 0.030 1 549 54 49 ASN HB2 H 2.835 0.030 2 550 54 49 ASN HB3 H 2.709 0.030 2 551 54 49 ASN HD21 H 6.983 0.030 2 552 54 49 ASN HD22 H 7.691 0.030 2 553 54 49 ASN C C 172.115 0.300 1 554 54 49 ASN CA C 53.212 0.300 1 555 54 49 ASN CB C 38.801 0.300 1 556 54 49 ASN N N 119.853 0.300 1 557 54 49 ASN ND2 N 113.517 0.300 1 558 55 50 ASP H H 8.297 0.030 1 559 55 50 ASP HA H 4.574 0.030 1 560 55 50 ASP HB2 H 2.753 0.030 2 561 55 50 ASP HB3 H 2.648 0.030 2 562 55 50 ASP C C 174.105 0.300 1 563 55 50 ASP CA C 54.159 0.300 1 564 55 50 ASP CB C 41.040 0.300 1 565 55 50 ASP N N 121.271 0.300 1 566 56 51 GLY H H 8.497 0.030 1 567 56 51 GLY HA2 H 3.932 0.030 2 568 56 51 GLY HA3 H 3.998 0.030 2 569 56 51 GLY C C 171.941 0.300 1 570 56 51 GLY CA C 45.511 0.300 1 571 56 51 GLY N N 109.368 0.300 1 572 57 52 THR H H 8.156 0.030 1 573 57 52 THR HA H 4.275 0.030 1 574 57 52 THR HB H 4.176 0.030 1 575 57 52 THR HG2 H 1.149 0.030 1 576 57 52 THR C C 171.744 0.300 1 577 57 52 THR CA C 62.240 0.300 1 578 57 52 THR CB C 69.941 0.300 1 579 57 52 THR CG2 C 21.593 0.300 1 580 57 52 THR N N 113.628 0.300 1 581 58 53 ARG H H 8.322 0.030 1 582 58 53 ARG HA H 4.620 0.030 1 583 58 53 ARG HB2 H 1.715 0.030 2 584 58 53 ARG HB3 H 1.821 0.030 2 585 58 53 ARG HG2 H 1.644 0.030 2 586 58 53 ARG HG3 H 1.681 0.030 2 587 58 53 ARG HD2 H 3.173 0.030 2 588 58 53 ARG HD3 H 3.173 0.030 2 589 58 53 ARG C C 171.187 0.300 1 590 58 53 ARG CA C 53.969 0.300 1 591 58 53 ARG CB C 30.146 0.300 1 592 58 53 ARG CG C 26.660 0.300 1 593 58 53 ARG CD C 43.418 0.300 1 594 58 53 ARG N N 124.521 0.300 1 595 59 54 PRO HA H 4.382 0.030 1 596 59 54 PRO HB2 H 1.844 0.030 2 597 59 54 PRO HB3 H 2.268 0.030 2 598 59 54 PRO HG2 H 1.968 0.030 2 599 59 54 PRO HG3 H 1.984 0.030 2 600 59 54 PRO HD2 H 3.794 0.030 2 601 59 54 PRO HD3 H 3.578 0.030 2 602 59 54 PRO CA C 62.903 0.300 1 603 59 54 PRO CB C 32.193 0.300 1 604 59 54 PRO CG C 27.443 0.300 1 605 59 54 PRO CD C 50.630 0.300 1 606 60 55 LYS H H 8.513 0.030 1 607 60 55 LYS HA H 4.203 0.030 1 608 60 55 LYS HB2 H 1.724 0.030 2 609 60 55 LYS HB3 H 1.789 0.030 2 610 60 55 LYS HG2 H 1.457 0.030 2 611 60 55 LYS HG3 H 1.409 0.030 2 612 60 55 LYS HD2 H 1.640 0.030 2 613 60 55 LYS HD3 H 1.640 0.030 2 614 60 55 LYS HE2 H 2.960 0.030 2 615 60 55 LYS HE3 H 2.960 0.030 2 616 60 55 LYS CA C 56.328 0.300 1 617 60 55 LYS CB C 32.805 0.300 1 618 60 55 LYS CG C 24.807 0.300 1 619 60 55 LYS CD C 29.026 0.300 1 620 60 55 LYS CE C 42.091 0.300 1 621 60 55 LYS N N 122.142 0.300 1 622 61 56 MET H H 8.446 0.030 1 623 61 56 MET HA H 4.598 0.030 1 624 61 56 MET HB2 H 1.926 0.030 2 625 61 56 MET HB3 H 1.996 0.030 2 626 61 56 MET HG2 H 2.479 0.030 2 627 61 56 MET HG3 H 2.545 0.030 2 628 61 56 MET HE H 2.009 0.030 1 629 61 56 MET C C 173.077 0.300 1 630 61 56 MET CA C 55.296 0.300 1 631 61 56 MET CB C 34.491 0.300 1 632 61 56 MET CG C 32.244 0.300 1 633 61 56 MET CE C 17.196 0.300 1 634 61 56 MET N N 122.695 0.300 1 635 62 57 THR H H 8.437 0.030 1 636 62 57 THR HA H 4.620 0.030 1 637 62 57 THR HB H 4.661 0.030 1 638 62 57 THR HG2 H 1.308 0.030 1 639 62 57 THR C C 170.881 0.300 1 640 62 57 THR CA C 59.858 0.300 1 641 62 57 THR CB C 68.752 0.300 1 642 62 57 THR CG2 C 21.909 0.300 1 643 62 57 THR N N 115.170 0.300 1 644 63 58 PRO HA H 4.274 0.030 1 645 63 58 PRO HB2 H 2.355 0.030 2 646 63 58 PRO HB3 H 1.886 0.030 2 647 63 58 PRO HG2 H 1.998 0.030 2 648 63 58 PRO HG3 H 2.186 0.030 2 649 63 58 PRO HD2 H 3.876 0.030 2 650 63 58 PRO HD3 H 3.898 0.030 2 651 63 58 PRO CA C 65.374 0.300 1 652 63 58 PRO CB C 31.763 0.300 1 653 63 58 PRO CG C 28.059 0.300 1 654 63 58 PRO CD C 50.476 0.300 1 655 64 59 GLU H H 8.813 0.030 1 656 64 59 GLU HA H 4.063 0.030 1 657 64 59 GLU HB2 H 2.035 0.030 2 658 64 59 GLU HB3 H 1.914 0.030 2 659 64 59 GLU HG2 H 2.256 0.030 2 660 64 59 GLU HG3 H 2.361 0.030 2 661 64 59 GLU CA C 59.613 0.300 1 662 64 59 GLU CB C 29.017 0.300 1 663 64 59 GLU CG C 36.756 0.300 1 664 64 59 GLU N N 118.596 0.300 1 665 65 60 GLN H H 7.964 0.030 1 666 65 60 GLN HA H 4.046 0.030 1 667 65 60 GLN HB2 H 2.032 0.030 2 668 65 60 GLN HB3 H 2.252 0.030 2 669 65 60 GLN HG2 H 2.425 0.030 2 670 65 60 GLN HG3 H 2.415 0.030 2 671 65 60 GLN HE21 H 6.877 0.030 2 672 65 60 GLN HE22 H 7.758 0.030 2 673 65 60 GLN CA C 58.116 0.300 1 674 65 60 GLN CB C 28.711 0.300 1 675 65 60 GLN CG C 33.852 0.300 1 676 65 60 GLN N N 121.250 0.300 1 677 65 60 GLN NE2 N 112.154 0.300 1 678 66 61 MET H H 8.429 0.030 1 679 66 61 MET HA H 4.156 0.030 1 680 66 61 MET HB2 H 2.052 0.030 2 681 66 61 MET HB3 H 2.082 0.030 2 682 66 61 MET HG2 H 2.537 0.030 2 683 66 61 MET HG3 H 2.537 0.030 2 684 66 61 MET HE H 2.020 0.030 1 685 66 61 MET CA C 58.241 0.300 1 686 66 61 MET CB C 32.558 0.300 1 687 66 61 MET CG C 32.208 0.300 1 688 66 61 MET CE C 16.810 0.300 1 689 66 61 MET N N 120.082 0.300 1 690 67 62 ALA H H 8.106 0.030 1 691 67 62 ALA HA H 4.157 0.030 1 692 67 62 ALA HB H 1.429 0.030 1 693 67 62 ALA CA C 54.271 0.300 1 694 67 62 ALA CB C 18.279 0.300 1 695 67 62 ALA N N 122.222 0.300 1 696 68 63 LYS H H 7.815 0.030 1 697 68 63 LYS HA H 4.127 0.030 1 698 68 63 LYS HB2 H 1.858 0.030 2 699 68 63 LYS HB3 H 1.905 0.030 2 700 68 63 LYS HG2 H 1.385 0.030 2 701 68 63 LYS HG3 H 1.486 0.030 2 702 68 63 LYS HD2 H 1.652 0.030 2 703 68 63 LYS HD3 H 1.667 0.030 2 704 68 63 LYS HE2 H 2.953 0.030 2 705 68 63 LYS HE3 H 2.953 0.030 2 706 68 63 LYS CA C 58.373 0.300 1 707 68 63 LYS CB C 32.604 0.300 1 708 68 63 LYS CG C 24.810 0.300 1 709 68 63 LYS CD C 29.106 0.300 1 710 68 63 LYS CE C 42.052 0.300 1 711 68 63 LYS N N 120.031 0.300 1 712 69 64 GLU H H 8.149 0.030 1 713 69 64 GLU HA H 4.123 0.030 1 714 69 64 GLU HB2 H 2.118 0.030 2 715 69 64 GLU HB3 H 2.032 0.030 2 716 69 64 GLU HG2 H 2.331 0.030 2 717 69 64 GLU HG3 H 2.220 0.030 2 718 69 64 GLU CA C 58.549 0.300 1 719 69 64 GLU CB C 29.410 0.300 1 720 69 64 GLU CG C 36.430 0.300 1 721 69 64 GLU N N 119.896 0.300 1 722 70 65 MET H H 8.215 0.030 1 723 70 65 MET HA H 4.434 0.030 1 724 70 65 MET HB2 H 2.106 0.030 2 725 70 65 MET HB3 H 2.146 0.030 2 726 70 65 MET HG2 H 2.589 0.030 2 727 70 65 MET HG3 H 2.637 0.030 2 728 70 65 MET HE H 2.037 0.030 1 729 70 65 MET C C 174.607 0.300 1 730 70 65 MET CA C 56.884 0.300 1 731 70 65 MET CB C 32.159 0.300 1 732 70 65 MET CG C 32.037 0.300 1 733 70 65 MET CE C 16.762 0.300 1 734 70 65 MET N N 119.261 0.300 1 735 71 66 SER H H 8.161 0.030 1 736 71 66 SER HA H 4.265 0.030 1 737 71 66 SER HB2 H 3.934 0.030 2 738 71 66 SER HB3 H 3.951 0.030 2 739 71 66 SER CA C 60.463 0.300 1 740 71 66 SER CB C 63.135 0.300 1 741 71 66 SER N N 115.618 0.300 1 742 72 67 GLU H H 8.247 0.030 1 743 72 67 GLU HA H 4.113 0.030 1 744 72 67 GLU HB2 H 1.968 0.030 2 745 72 67 GLU HB3 H 2.088 0.030 2 746 72 67 GLU HG2 H 2.112 0.030 2 747 72 67 GLU HG3 H 2.272 0.030 2 748 72 67 GLU CA C 58.116 0.300 1 749 72 67 GLU CB C 29.427 0.300 1 750 72 67 GLU CG C 36.257 0.300 1 751 72 67 GLU N N 122.328 0.300 1 752 73 68 PHE H H 8.126 0.030 1 753 73 68 PHE HA H 4.400 0.030 1 754 73 68 PHE HB2 H 3.215 0.030 2 755 73 68 PHE HB3 H 3.165 0.030 2 756 73 68 PHE HD1 H 7.222 0.030 3 757 73 68 PHE HD2 H 7.222 0.030 3 758 73 68 PHE HE1 H 7.313 0.030 3 759 73 68 PHE HE2 H 7.313 0.030 3 760 73 68 PHE HZ H 7.261 0.030 1 761 73 68 PHE CA C 59.497 0.300 1 762 73 68 PHE CB C 39.182 0.300 1 763 73 68 PHE CD1 C 131.488 0.300 3 764 73 68 PHE CD2 C 131.488 0.300 3 765 73 68 PHE CE1 C 131.568 0.300 3 766 73 68 PHE CE2 C 131.568 0.300 3 767 73 68 PHE CZ C 129.964 0.300 1 768 73 68 PHE N N 120.564 0.300 1 769 74 69 LEU H H 8.127 0.030 1 770 74 69 LEU HA H 4.152 0.030 1 771 74 69 LEU HB2 H 1.537 0.030 2 772 74 69 LEU HB3 H 1.733 0.030 2 773 74 69 LEU HG H 1.725 0.030 1 774 74 69 LEU HD1 H 0.895 0.030 2 775 74 69 LEU HD2 H 0.881 0.030 2 776 74 69 LEU CA C 55.890 0.300 1 777 74 69 LEU CB C 42.106 0.300 1 778 74 69 LEU CG C 26.854 0.300 1 779 74 69 LEU CD1 C 25.063 0.300 2 780 74 69 LEU CD2 C 23.040 0.300 2 781 74 69 LEU N N 120.761 0.300 1 782 75 70 SER H H 8.003 0.030 1 783 75 70 SER HA H 4.357 0.030 1 784 75 70 SER HB2 H 3.891 0.030 2 785 75 70 SER HB3 H 3.891 0.030 2 786 75 70 SER CA C 58.921 0.300 1 787 75 70 SER CB C 63.534 0.300 1 788 75 70 SER N N 115.178 0.300 1 789 76 71 ARG H H 7.985 0.030 1 790 76 71 ARG HA H 4.314 0.030 1 791 76 71 ARG HB2 H 1.756 0.030 2 792 76 71 ARG HB3 H 1.871 0.030 2 793 76 71 ARG HG2 H 1.632 0.030 2 794 76 71 ARG HG3 H 1.656 0.030 2 795 76 71 ARG HD2 H 3.168 0.030 2 796 76 71 ARG HD3 H 3.135 0.030 2 797 76 71 ARG CA C 56.406 0.300 1 798 76 71 ARG CB C 30.832 0.300 1 799 76 71 ARG CG C 26.860 0.300 1 800 76 71 ARG CD C 43.394 0.300 1 801 76 71 ARG N N 122.367 0.300 1 802 77 72 GLY H H 8.151 0.030 1 803 77 72 GLY HA2 H 4.068 0.030 2 804 77 72 GLY HA3 H 4.004 0.030 2 805 77 72 GLY CA C 44.400 0.300 1 806 77 72 GLY N N 109.723 0.300 1 807 78 73 PRO HA H 4.365 0.030 1 808 78 73 PRO HB2 H 1.957 0.030 2 809 78 73 PRO HB3 H 2.222 0.030 2 810 78 73 PRO HG2 H 1.979 0.030 2 811 78 73 PRO HG3 H 1.979 0.030 2 812 78 73 PRO HD2 H 3.567 0.030 2 813 78 73 PRO HD3 H 3.567 0.030 2 814 78 73 PRO C C 173.976 0.300 1 815 78 73 PRO CA C 63.226 0.300 1 816 78 73 PRO CB C 32.028 0.300 1 817 78 73 PRO CG C 27.062 0.300 1 818 78 73 PRO CD C 49.669 0.300 1 819 79 74 ALA H H 8.104 0.030 1 820 79 74 ALA HA H 4.071 0.030 1 821 79 74 ALA HB H 1.302 0.030 1 822 79 74 ALA C C 175.117 0.300 1 823 79 74 ALA CA C 53.850 0.300 1 824 79 74 ALA CB C 19.947 0.300 1 825 79 74 ALA N N 130.361 0.300 1 stop_ save_