data_11263 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the N-terminal Ubiquitin-like Domain in the Human BAT3 Protein ; _BMRB_accession_number 11263 _BMRB_flat_file_name bmr11263.str _Entry_type original _Submission_date 2010-08-09 _Accession_date 2010-08-09 _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 Zhao C. . . 2 Saito K. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 466 "13C chemical shifts" 350 "15N chemical shifts" 82 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-18 original author . stop_ _Original_release_date 2011-08-18 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of the N-terminal Ubiquitin-like Domain in the Human BAT3 Protein ; _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 Zhao C. . . 2 Saito K. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation . _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 'HLA-B associated transcript-3 isoform b' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ubiquitin-like domain' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'ubiquitin-like domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 86 _Mol_residue_sequence ; GSSGSSGLEVLVKTLDSQTR TFIVGAQMNVKEFKEHIAAS VSIPSEKQRLIYQGRVLQDD KKLQEYNVGGKVIHLVERAP SGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LEU 9 GLU 10 VAL 11 LEU 12 VAL 13 LYS 14 THR 15 LEU 16 ASP 17 SER 18 GLN 19 THR 20 ARG 21 THR 22 PHE 23 ILE 24 VAL 25 GLY 26 ALA 27 GLN 28 MET 29 ASN 30 VAL 31 LYS 32 GLU 33 PHE 34 LYS 35 GLU 36 HIS 37 ILE 38 ALA 39 ALA 40 SER 41 VAL 42 SER 43 ILE 44 PRO 45 SER 46 GLU 47 LYS 48 GLN 49 ARG 50 LEU 51 ILE 52 TYR 53 GLN 54 GLY 55 ARG 56 VAL 57 LEU 58 GLN 59 ASP 60 ASP 61 LYS 62 LYS 63 LEU 64 GLN 65 GLU 66 TYR 67 ASN 68 VAL 69 GLY 70 GLY 71 LYS 72 VAL 73 ILE 74 HIS 75 LEU 76 VAL 77 GLU 78 ARG 79 ALA 80 PRO 81 SER 82 GLY 83 PRO 84 SER 85 SER 86 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 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 1WX9 "Solution Structure Of The N-Terminal Ubiquitin-Like Domain In The Human Bat3 Protein" 100.00 86 100.00 100.00 1.51e-53 PDB 4EEW "Crystal Structure Of The Ubl Domain Of Bag6" 82.56 88 100.00 100.00 1.43e-42 EMBL CAN59668 "HLA-B associated transcript 3 [Sus scrofa]" 84.88 172 100.00 100.00 2.00e-44 GB ELW61850 "Large proline-rich protein BAG6 [Tupaia chinensis]" 68.60 1128 100.00 100.00 1.80e-30 GB EPY85374 "large proline-rich protein BAG6 [Camelus ferus]" 68.60 1023 100.00 100.00 3.38e-30 REF XP_003422254 "PREDICTED: large proline-rich protein BAG6 isoform X1 [Loxodonta africana]" 84.88 1127 100.00 100.00 5.40e-40 REF XP_004390798 "PREDICTED: large proline-rich protein BAG6 isoform X1 [Trichechus manatus latirostris]" 84.88 1133 100.00 100.00 4.62e-40 REF XP_004390799 "PREDICTED: large proline-rich protein BAG6 isoform X2 [Trichechus manatus latirostris]" 84.88 1127 100.00 100.00 5.15e-40 REF XP_004390800 "PREDICTED: large proline-rich protein BAG6 isoform X3 [Trichechus manatus latirostris]" 84.88 1078 100.00 100.00 5.15e-40 REF XP_004390801 "PREDICTED: large proline-rich protein BAG6 isoform X4 [Trichechus manatus latirostris]" 84.88 905 100.00 100.00 6.04e-40 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P040921-06 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.23mM protein U-15N, 13C, 20mM d-Tris-HCl, 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.23 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRview _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B. A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.921 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.8 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298.0 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRview $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'ubiquitin-like domain' _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 6 SER HA H 4.518 0.030 1 2 6 6 SER HB2 H 3.918 0.030 1 3 6 6 SER HB3 H 3.918 0.030 1 4 6 6 SER C C 174.425 0.300 1 5 6 6 SER CA C 58.570 0.300 1 6 6 6 SER CB C 64.000 0.300 1 7 7 7 GLY H H 8.167 0.030 1 8 7 7 GLY HA2 H 3.822 0.030 2 9 7 7 GLY HA3 H 4.151 0.030 2 10 7 7 GLY C C 172.423 0.300 1 11 7 7 GLY CA C 44.898 0.300 1 12 7 7 GLY N N 110.217 0.300 1 13 8 8 LEU H H 9.036 0.030 1 14 8 8 LEU HA H 4.464 0.030 1 15 8 8 LEU HB2 H 1.245 0.030 2 16 8 8 LEU HB3 H 1.397 0.030 2 17 8 8 LEU HD1 H 0.625 0.030 1 18 8 8 LEU HD2 H 0.745 0.030 1 19 8 8 LEU HG H 1.316 0.030 1 20 8 8 LEU C C 174.101 0.300 1 21 8 8 LEU CA C 54.101 0.300 1 22 8 8 LEU CB C 44.702 0.300 1 23 8 8 LEU CD1 C 25.330 0.300 2 24 8 8 LEU CD2 C 25.029 0.300 2 25 8 8 LEU CG C 26.996 0.300 1 26 8 8 LEU N N 123.889 0.300 1 27 9 9 GLU H H 8.481 0.030 1 28 9 9 GLU HA H 4.988 0.030 1 29 9 9 GLU HB2 H 1.796 0.030 2 30 9 9 GLU HB3 H 1.980 0.030 2 31 9 9 GLU HG2 H 1.892 0.030 2 32 9 9 GLU HG3 H 2.035 0.030 2 33 9 9 GLU C C 175.062 0.300 1 34 9 9 GLU CA C 55.098 0.300 1 35 9 9 GLU CB C 31.244 0.300 1 36 9 9 GLU CG C 36.906 0.300 1 37 9 9 GLU N N 126.592 0.300 1 38 10 10 VAL H H 9.231 0.030 1 39 10 10 VAL HA H 4.493 0.030 1 40 10 10 VAL HB H 1.903 0.030 1 41 10 10 VAL HG1 H 0.666 0.030 1 42 10 10 VAL HG2 H 0.565 0.030 1 43 10 10 VAL C C 173.651 0.300 1 44 10 10 VAL CA C 61.579 0.300 1 45 10 10 VAL CB C 35.067 0.300 1 46 10 10 VAL CG1 C 22.277 0.300 2 47 10 10 VAL CG2 C 21.300 0.300 2 48 10 10 VAL N N 125.925 0.300 1 49 11 11 LEU H H 8.228 0.030 1 50 11 11 LEU HA H 5.471 0.030 1 51 11 11 LEU HB2 H 1.719 0.030 2 52 11 11 LEU HB3 H 1.308 0.030 2 53 11 11 LEU HD1 H 0.709 0.030 1 54 11 11 LEU HD2 H 0.725 0.030 1 55 11 11 LEU HG H 1.708 0.030 1 56 11 11 LEU C C 175.937 0.300 1 57 11 11 LEU CA C 54.971 0.300 1 58 11 11 LEU CB C 43.267 0.300 1 59 11 11 LEU CD1 C 24.567 0.300 2 60 11 11 LEU CD2 C 26.533 0.300 2 61 11 11 LEU CG C 29.707 0.300 1 62 11 11 LEU N N 127.985 0.300 1 63 12 12 VAL H H 9.276 0.030 1 64 12 12 VAL HA H 5.105 0.030 1 65 12 12 VAL HB H 2.077 0.030 1 66 12 12 VAL HG1 H 0.873 0.030 1 67 12 12 VAL HG2 H 1.159 0.030 1 68 12 12 VAL C C 175.427 0.300 1 69 12 12 VAL CA C 60.576 0.300 1 70 12 12 VAL CB C 35.602 0.300 1 71 12 12 VAL CG1 C 22.391 0.300 2 72 12 12 VAL CG2 C 22.391 0.300 2 73 12 12 VAL N N 120.188 0.300 1 74 13 13 LYS H H 9.291 0.030 1 75 13 13 LYS HA H 5.503 0.030 1 76 13 13 LYS HB2 H 1.504 0.030 2 77 13 13 LYS HB3 H 1.335 0.030 2 78 13 13 LYS HD2 H 1.560 0.030 2 79 13 13 LYS HE2 H 2.880 0.030 2 80 13 13 LYS HE3 H 2.958 0.030 2 81 13 13 LYS HG2 H 1.274 0.030 2 82 13 13 LYS HG3 H 1.442 0.030 2 83 13 13 LYS C C 176.421 0.300 1 84 13 13 LYS CA C 54.734 0.300 1 85 13 13 LYS CB C 35.810 0.300 1 86 13 13 LYS CD C 29.841 0.300 1 87 13 13 LYS CE C 42.285 0.300 1 88 13 13 LYS CG C 24.910 0.300 1 89 13 13 LYS N N 132.293 0.300 1 90 14 14 THR H H 8.558 0.030 1 91 14 14 THR HA H 4.982 0.030 1 92 14 14 THR HB H 4.720 0.030 1 93 14 14 THR HG2 H 1.279 0.030 1 94 14 14 THR C C 177.432 0.300 1 95 14 14 THR CA C 60.401 0.300 1 96 14 14 THR CB C 70.385 0.300 1 97 14 14 THR CG2 C 23.983 0.300 1 98 14 14 THR N N 117.976 0.300 1 99 15 15 LEU H H 9.316 0.030 1 100 15 15 LEU HA H 4.195 0.030 1 101 15 15 LEU HB2 H 1.730 0.030 2 102 15 15 LEU HB3 H 1.875 0.030 2 103 15 15 LEU HD1 H 1.067 0.030 1 104 15 15 LEU HD2 H 0.995 0.030 1 105 15 15 LEU HG H 1.926 0.030 1 106 15 15 LEU C C 177.481 0.300 1 107 15 15 LEU CA C 57.783 0.300 1 108 15 15 LEU CB C 41.780 0.300 1 109 15 15 LEU CD1 C 25.262 0.300 2 110 15 15 LEU CD2 C 23.706 0.300 2 111 15 15 LEU CG C 27.405 0.300 1 112 15 15 LEU N N 122.415 0.300 1 113 16 16 ASP H H 8.103 0.030 1 114 16 16 ASP HA H 4.518 0.030 1 115 16 16 ASP HB2 H 3.086 0.030 2 116 16 16 ASP HB3 H 2.713 0.030 2 117 16 16 ASP C C 176.472 0.300 1 118 16 16 ASP CA C 53.872 0.300 1 119 16 16 ASP CB C 39.624 0.300 1 120 16 16 ASP N N 118.020 0.300 1 121 17 17 SER H H 8.317 0.030 1 122 17 17 SER HA H 3.996 0.030 1 123 17 17 SER HB2 H 4.112 0.030 2 124 17 17 SER HB3 H 4.257 0.030 2 125 17 17 SER C C 173.717 0.300 1 126 17 17 SER CA C 60.773 0.300 1 127 17 17 SER CB C 62.409 0.300 1 128 17 17 SER N N 111.458 0.300 1 129 18 18 GLN H H 7.894 0.030 1 130 18 18 GLN HA H 4.385 0.030 1 131 18 18 GLN HB2 H 1.983 0.030 1 132 18 18 GLN HB3 H 1.983 0.030 1 133 18 18 GLN HE21 H 6.838 0.030 2 134 18 18 GLN HE22 H 7.610 0.030 2 135 18 18 GLN HG2 H 2.162 0.030 2 136 18 18 GLN HG3 H 2.290 0.030 2 137 18 18 GLN C C 175.293 0.300 1 138 18 18 GLN CA C 56.406 0.300 1 139 18 18 GLN CB C 29.804 0.300 1 140 18 18 GLN CG C 34.558 0.300 1 141 18 18 GLN N N 121.175 0.300 1 142 18 18 GLN NE2 N 112.536 0.300 1 143 19 19 THR H H 8.514 0.030 1 144 19 19 THR HA H 5.048 0.030 1 145 19 19 THR HB H 3.901 0.030 1 146 19 19 THR HG2 H 1.068 0.030 1 147 19 19 THR C C 174.356 0.300 1 148 19 19 THR CA C 62.213 0.300 1 149 19 19 THR CB C 69.862 0.300 1 150 19 19 THR CG2 C 22.378 0.300 1 151 19 19 THR N N 117.583 0.300 1 152 20 20 ARG H H 8.802 0.030 1 153 20 20 ARG HA H 4.545 0.030 1 154 20 20 ARG HB2 H 1.375 0.030 2 155 20 20 ARG HB3 H 1.479 0.030 2 156 20 20 ARG HD2 H 2.949 0.030 2 157 20 20 ARG HD3 H 3.102 0.030 2 158 20 20 ARG HG2 H 1.517 0.030 2 159 20 20 ARG HG3 H 1.635 0.030 2 160 20 20 ARG C C 174.315 0.300 1 161 20 20 ARG CA C 54.523 0.300 1 162 20 20 ARG CB C 34.666 0.300 1 163 20 20 ARG CD C 43.683 0.300 1 164 20 20 ARG CG C 28.392 0.300 1 165 20 20 ARG N N 127.092 0.300 1 166 21 21 THR H H 8.279 0.030 1 167 21 21 THR HA H 4.818 0.030 1 168 21 21 THR HB H 3.776 0.030 1 169 21 21 THR HG2 H 1.085 0.030 1 170 21 21 THR C C 173.444 0.300 1 171 21 21 THR CA C 62.547 0.300 1 172 21 21 THR CB C 69.879 0.300 1 173 21 21 THR CG2 C 21.724 0.300 1 174 21 21 THR N N 117.759 0.300 1 175 22 22 PHE H H 9.323 0.030 1 176 22 22 PHE HA H 4.859 0.030 1 177 22 22 PHE HB2 H 3.205 0.030 2 178 22 22 PHE HB3 H 2.923 0.030 2 179 22 22 PHE HD1 H 7.372 0.030 1 180 22 22 PHE HD2 H 7.372 0.030 1 181 22 22 PHE HE1 H 7.085 0.030 1 182 22 22 PHE HE2 H 7.085 0.030 1 183 22 22 PHE HZ H 6.957 0.030 1 184 22 22 PHE C C 173.401 0.300 1 185 22 22 PHE CA C 57.409 0.300 1 186 22 22 PHE CB C 42.920 0.300 1 187 22 22 PHE CD1 C 132.799 0.300 1 188 22 22 PHE CD2 C 132.799 0.300 1 189 22 22 PHE CE1 C 130.806 0.300 1 190 22 22 PHE CE2 C 130.806 0.300 1 191 22 22 PHE CZ C 128.868 0.300 1 192 22 22 PHE N N 125.738 0.300 1 193 23 23 ILE H H 8.464 0.030 1 194 23 23 ILE HA H 5.114 0.030 1 195 23 23 ILE HB H 1.832 0.030 1 196 23 23 ILE HD1 H 0.829 0.030 1 197 23 23 ILE HG12 H 1.109 0.030 2 198 23 23 ILE HG13 H 1.507 0.030 2 199 23 23 ILE HG2 H 0.766 0.030 1 200 23 23 ILE C C 176.824 0.300 1 201 23 23 ILE CA C 60.418 0.300 1 202 23 23 ILE CB C 37.788 0.300 1 203 23 23 ILE CD1 C 12.690 0.300 1 204 23 23 ILE CG1 C 27.652 0.300 1 205 23 23 ILE CG2 C 17.540 0.300 1 206 23 23 ILE N N 122.954 0.300 1 207 24 24 VAL H H 8.972 0.030 1 208 24 24 VAL HA H 4.736 0.030 1 209 24 24 VAL HB H 2.364 0.030 1 210 24 24 VAL HG1 H 0.666 0.030 1 211 24 24 VAL HG2 H 0.693 0.030 1 212 24 24 VAL C C 175.050 0.300 1 213 24 24 VAL CA C 58.641 0.300 1 214 24 24 VAL CB C 36.301 0.300 1 215 24 24 VAL CG1 C 21.815 0.300 2 216 24 24 VAL CG2 C 17.638 0.300 2 217 24 24 VAL N N 121.281 0.300 1 218 25 25 GLY H H 7.967 0.030 1 219 25 25 GLY HA2 H 3.782 0.030 2 220 25 25 GLY HA3 H 4.123 0.030 2 221 25 25 GLY C C 174.551 0.300 1 222 25 25 GLY CA C 45.707 0.300 1 223 25 25 GLY N N 107.077 0.300 1 224 26 26 ALA H H 8.359 0.030 1 225 26 26 ALA HA H 3.944 0.030 1 226 26 26 ALA HB H 1.394 0.030 1 227 26 26 ALA C C 178.819 0.300 1 228 26 26 ALA CA C 54.400 0.300 1 229 26 26 ALA CB C 18.758 0.300 1 230 26 26 ALA N N 121.616 0.300 1 231 27 27 GLN H H 8.453 0.030 1 232 27 27 GLN HA H 4.423 0.030 1 233 27 27 GLN HB2 H 2.323 0.030 2 234 27 27 GLN HB3 H 1.968 0.030 2 235 27 27 GLN HE21 H 7.526 0.030 2 236 27 27 GLN HE22 H 6.882 0.030 2 237 27 27 GLN HG2 H 2.289 0.030 2 238 27 27 GLN HG3 H 2.430 0.030 2 239 27 27 GLN C C 175.670 0.300 1 240 27 27 GLN CA C 54.858 0.300 1 241 27 27 GLN CB C 27.872 0.300 1 242 27 27 GLN CG C 33.407 0.300 1 243 27 27 GLN N N 114.023 0.300 1 244 27 27 GLN NE2 N 112.764 0.300 1 245 28 28 MET H H 7.390 0.030 1 246 28 28 MET HA H 4.158 0.030 1 247 28 28 MET HB2 H 2.186 0.030 2 248 28 28 MET HB3 H 1.927 0.030 2 249 28 28 MET HE H 1.976 0.030 1 250 28 28 MET HG2 H 2.637 0.030 2 251 28 28 MET HG3 H 3.080 0.030 2 252 28 28 MET C C 176.791 0.300 1 253 28 28 MET CA C 58.011 0.300 1 254 28 28 MET CB C 34.533 0.300 1 255 28 28 MET CE C 17.433 0.300 1 256 28 28 MET CG C 32.899 0.300 1 257 28 28 MET N N 121.043 0.300 1 258 29 29 ASN H H 9.004 0.030 1 259 29 29 ASN HA H 5.347 0.030 1 260 29 29 ASN HB2 H 3.115 0.030 2 261 29 29 ASN HB3 H 2.683 0.030 2 262 29 29 ASN HD21 H 6.737 0.030 2 263 29 29 ASN HD22 H 7.378 0.030 2 264 29 29 ASN C C 175.536 0.300 1 265 29 29 ASN CA C 51.532 0.300 1 266 29 29 ASN CB C 39.070 0.300 1 267 29 29 ASN N N 124.293 0.300 1 268 29 29 ASN ND2 N 110.207 0.300 1 269 30 30 VAL H H 8.455 0.030 1 270 30 30 VAL HA H 3.463 0.030 1 271 30 30 VAL HB H 2.614 0.030 1 272 30 30 VAL HG1 H 0.836 0.030 1 273 30 30 VAL HG2 H 0.990 0.030 1 274 30 30 VAL C C 176.959 0.300 1 275 30 30 VAL CA C 67.686 0.300 1 276 30 30 VAL CB C 31.520 0.300 1 277 30 30 VAL CG1 C 21.404 0.300 2 278 30 30 VAL CG2 C 24.496 0.300 2 279 30 30 VAL N N 119.859 0.300 1 280 31 31 LYS H H 8.435 0.030 1 281 31 31 LYS HA H 3.855 0.030 1 282 31 31 LYS HB2 H 1.963 0.030 2 283 31 31 LYS HB3 H 1.757 0.030 2 284 31 31 LYS HD2 H 1.668 0.030 2 285 31 31 LYS HE2 H 2.950 0.030 1 286 31 31 LYS HE3 H 2.950 0.030 1 287 31 31 LYS HG2 H 1.434 0.030 1 288 31 31 LYS HG3 H 1.434 0.030 1 289 31 31 LYS C C 178.734 0.300 1 290 31 31 LYS CA C 60.442 0.300 1 291 31 31 LYS CB C 32.691 0.300 1 292 31 31 LYS CD C 29.625 0.300 1 293 31 31 LYS CE C 42.285 0.300 1 294 31 31 LYS CG C 24.692 0.300 1 295 31 31 LYS N N 122.202 0.300 1 296 32 32 GLU H H 8.541 0.030 1 297 32 32 GLU HA H 4.014 0.030 1 298 32 32 GLU HB2 H 2.423 0.030 2 299 32 32 GLU HB3 H 1.951 0.030 2 300 32 32 GLU HG2 H 2.593 0.030 2 301 32 32 GLU HG3 H 2.334 0.030 2 302 32 32 GLU C C 180.059 0.300 1 303 32 32 GLU CA C 58.904 0.300 1 304 32 32 GLU CB C 30.302 0.300 1 305 32 32 GLU CG C 37.078 0.300 1 306 32 32 GLU N N 117.937 0.300 1 307 33 33 PHE H H 8.688 0.030 1 308 33 33 PHE HA H 4.465 0.030 1 309 33 33 PHE HB2 H 3.240 0.030 2 310 33 33 PHE HB3 H 3.022 0.030 2 311 33 33 PHE HD1 H 7.056 0.030 1 312 33 33 PHE HD2 H 7.056 0.030 1 313 33 33 PHE HE1 H 6.822 0.030 1 314 33 33 PHE HE2 H 6.822 0.030 1 315 33 33 PHE C C 176.728 0.300 1 316 33 33 PHE CA C 61.932 0.300 1 317 33 33 PHE CB C 39.376 0.300 1 318 33 33 PHE CD1 C 131.519 0.300 1 319 33 33 PHE CD2 C 131.519 0.300 1 320 33 33 PHE CE1 C 129.916 0.300 1 321 33 33 PHE CE2 C 129.916 0.300 1 322 33 33 PHE N N 124.298 0.300 1 323 34 34 LYS H H 8.541 0.030 1 324 34 34 LYS HA H 4.134 0.030 1 325 34 34 LYS HB2 H 2.063 0.030 2 326 34 34 LYS HB3 H 1.321 0.030 2 327 34 34 LYS HD2 H 1.641 0.030 2 328 34 34 LYS HD3 H 1.784 0.030 2 329 34 34 LYS HE2 H 2.595 0.030 1 330 34 34 LYS HE3 H 2.595 0.030 1 331 34 34 LYS HG2 H 1.712 0.030 2 332 34 34 LYS HG3 H 1.555 0.030 2 333 34 34 LYS C C 180.047 0.300 1 334 34 34 LYS CA C 59.232 0.300 1 335 34 34 LYS CB C 34.471 0.300 1 336 34 34 LYS CD C 30.529 0.300 1 337 34 34 LYS CE C 42.943 0.300 1 338 34 34 LYS CG C 25.748 0.300 1 339 34 34 LYS N N 119.782 0.300 1 340 35 35 GLU H H 7.775 0.030 1 341 35 35 GLU HA H 3.932 0.030 1 342 35 35 GLU HB2 H 2.050 0.030 2 343 35 35 GLU HB3 H 2.200 0.030 2 344 35 35 GLU HG2 H 2.536 0.030 2 345 35 35 GLU HG3 H 2.324 0.030 2 346 35 35 GLU C C 178.673 0.300 1 347 35 35 GLU CA C 59.151 0.300 1 348 35 35 GLU CB C 29.224 0.300 1 349 35 35 GLU CG C 36.366 0.300 1 350 35 35 GLU N N 116.066 0.300 1 351 36 36 HIS H H 8.325 0.030 1 352 36 36 HIS HA H 4.198 0.030 1 353 36 36 HIS HB2 H 3.116 0.030 2 354 36 36 HIS HB3 H 3.308 0.030 2 355 36 36 HIS HD2 H 6.216 0.030 1 356 36 36 HIS HE1 H 7.868 0.030 1 357 36 36 HIS C C 177.785 0.300 1 358 36 36 HIS CA C 59.737 0.300 1 359 36 36 HIS CB C 30.730 0.300 1 360 36 36 HIS CD2 C 120.325 0.300 1 361 36 36 HIS CE1 C 139.557 0.300 1 362 36 36 HIS N N 120.782 0.300 1 363 37 37 ILE H H 7.675 0.030 1 364 37 37 ILE HA H 3.662 0.030 1 365 37 37 ILE HB H 1.278 0.030 1 366 37 37 ILE HD1 H 0.361 0.030 1 367 37 37 ILE HG12 H 1.237 0.030 2 368 37 37 ILE HG13 H 0.778 0.030 2 369 37 37 ILE HG2 H -0.958 0.030 1 370 37 37 ILE C C 177.360 0.300 1 371 37 37 ILE CA C 62.027 0.300 1 372 37 37 ILE CB C 38.965 0.300 1 373 37 37 ILE CD1 C 13.978 0.300 1 374 37 37 ILE CG1 C 25.014 0.300 1 375 37 37 ILE CG2 C 15.145 0.300 1 376 37 37 ILE N N 109.324 0.300 1 377 38 38 ALA H H 7.125 0.030 1 378 38 38 ALA HA H 3.829 0.030 1 379 38 38 ALA HB H 1.442 0.030 1 380 38 38 ALA C C 179.742 0.300 1 381 38 38 ALA CA C 55.913 0.300 1 382 38 38 ALA CB C 19.131 0.300 1 383 38 38 ALA N N 123.963 0.300 1 384 39 39 ALA H H 8.689 0.030 1 385 39 39 ALA HA H 4.098 0.030 1 386 39 39 ALA HB H 1.408 0.030 1 387 39 39 ALA C C 180.046 0.300 1 388 39 39 ALA CA C 54.740 0.300 1 389 39 39 ALA CB C 17.918 0.300 1 390 39 39 ALA N N 118.823 0.300 1 391 40 40 SER H H 8.079 0.030 1 392 40 40 SER HA H 4.369 0.030 1 393 40 40 SER HB2 H 4.150 0.030 2 394 40 40 SER HB3 H 3.982 0.030 2 395 40 40 SER C C 176.133 0.300 1 396 40 40 SER CA C 61.650 0.300 1 397 40 40 SER CB C 63.783 0.300 1 398 40 40 SER N N 114.080 0.300 1 399 41 41 VAL H H 7.734 0.030 1 400 41 41 VAL HA H 4.328 0.030 1 401 41 41 VAL HB H 2.294 0.030 1 402 41 41 VAL HG1 H 0.813 0.030 1 403 41 41 VAL HG2 H 0.779 0.030 1 404 41 41 VAL C C 174.807 0.300 1 405 41 41 VAL CA C 60.922 0.300 1 406 41 41 VAL CB C 31.696 0.300 1 407 41 41 VAL CG1 C 20.892 0.300 2 408 41 41 VAL CG2 C 18.647 0.300 2 409 41 41 VAL N N 109.992 0.300 1 410 42 42 SER H H 7.682 0.030 1 411 42 42 SER HA H 3.897 0.030 1 412 42 42 SER HB2 H 4.014 0.030 2 413 42 42 SER HB3 H 4.121 0.030 2 414 42 42 SER C C 173.742 0.300 1 415 42 42 SER CA C 59.169 0.300 1 416 42 42 SER CB C 61.357 0.300 1 417 42 42 SER N N 113.459 0.300 1 418 43 43 ILE H H 7.019 0.030 1 419 43 43 ILE HA H 4.566 0.030 1 420 43 43 ILE HB H 1.378 0.030 1 421 43 43 ILE HD1 H 0.710 0.030 1 422 43 43 ILE HG12 H 1.613 0.030 2 423 43 43 ILE HG13 H 0.932 0.030 2 424 43 43 ILE HG2 H 0.870 0.030 1 425 43 43 ILE CA C 58.254 0.300 1 426 43 43 ILE CB C 42.595 0.300 1 427 43 43 ILE CD1 C 13.492 0.300 1 428 43 43 ILE CG1 C 26.500 0.300 1 429 43 43 ILE CG2 C 17.586 0.300 1 430 43 43 ILE N N 118.402 0.300 1 431 44 44 PRO HA H 4.361 0.030 1 432 44 44 PRO HB2 H 2.427 0.030 2 433 44 44 PRO HB3 H 1.878 0.030 2 434 44 44 PRO HD2 H 3.605 0.030 2 435 44 44 PRO HD3 H 3.761 0.030 2 436 44 44 PRO HG2 H 1.949 0.030 2 437 44 44 PRO HG3 H 2.000 0.030 2 438 44 44 PRO C C 178.621 0.300 1 439 44 44 PRO CA C 62.753 0.300 1 440 44 44 PRO CB C 32.714 0.300 1 441 44 44 PRO CD C 51.270 0.300 1 442 44 44 PRO CG C 27.738 0.300 1 443 45 45 SER H H 9.099 0.030 1 444 45 45 SER HA H 3.812 0.030 1 445 45 45 SER HB2 H 3.572 0.030 2 446 45 45 SER HB3 H 3.788 0.030 2 447 45 45 SER C C 177.255 0.300 1 448 45 45 SER CA C 62.488 0.300 1 449 45 45 SER CB C 61.892 0.300 1 450 45 45 SER N N 119.493 0.300 1 451 46 46 GLU H H 9.388 0.030 1 452 46 46 GLU HA H 4.246 0.030 1 453 46 46 GLU HB2 H 2.069 0.030 2 454 46 46 GLU HB3 H 2.116 0.030 2 455 46 46 GLU HG2 H 2.198 0.030 2 456 46 46 GLU HG3 H 2.358 0.030 2 457 46 46 GLU C C 176.812 0.300 1 458 46 46 GLU CA C 58.812 0.300 1 459 46 46 GLU CB C 28.366 0.300 1 460 46 46 GLU CG C 35.873 0.300 1 461 46 46 GLU N N 120.050 0.300 1 462 47 47 LYS H H 8.036 0.030 1 463 47 47 LYS HA H 4.464 0.030 1 464 47 47 LYS HB2 H 2.200 0.030 2 465 47 47 LYS HB3 H 1.627 0.030 2 466 47 47 LYS HD2 H 1.668 0.030 2 467 47 47 LYS HD3 H 1.706 0.030 2 468 47 47 LYS HE2 H 2.977 0.030 1 469 47 47 LYS HE3 H 2.977 0.030 1 470 47 47 LYS HG2 H 1.343 0.030 2 471 47 47 LYS HG3 H 1.465 0.030 2 472 47 47 LYS C C 175.195 0.300 1 473 47 47 LYS CA C 55.649 0.300 1 474 47 47 LYS CB C 33.958 0.300 1 475 47 47 LYS CD C 29.378 0.300 1 476 47 47 LYS CE C 42.203 0.300 1 477 47 47 LYS CG C 26.005 0.300 1 478 47 47 LYS N N 117.482 0.300 1 479 48 48 GLN H H 7.195 0.030 1 480 48 48 GLN HA H 4.034 0.030 1 481 48 48 GLN HB2 H 1.845 0.030 1 482 48 48 GLN HB3 H 1.845 0.030 1 483 48 48 GLN HE21 H 6.024 0.030 2 484 48 48 GLN HE22 H 6.758 0.030 2 485 48 48 GLN HG2 H 2.505 0.030 2 486 48 48 GLN HG3 H 1.647 0.030 2 487 48 48 GLN C C 176.180 0.300 1 488 48 48 GLN CA C 57.153 0.300 1 489 48 48 GLN CB C 30.997 0.300 1 490 48 48 GLN CG C 33.681 0.300 1 491 48 48 GLN N N 118.968 0.300 1 492 48 48 GLN NE2 N 102.080 0.300 1 493 49 49 ARG H H 8.613 0.030 1 494 49 49 ARG HA H 4.465 0.030 1 495 49 49 ARG HB2 H 1.723 0.030 2 496 49 49 ARG HB3 H 1.559 0.030 2 497 49 49 ARG HD2 H 3.048 0.030 2 498 49 49 ARG HD3 H 3.104 0.030 2 499 49 49 ARG HG2 H 1.556 0.030 2 500 49 49 ARG HG3 H 1.337 0.030 2 501 49 49 ARG C C 173.529 0.300 1 502 49 49 ARG CA C 55.456 0.300 1 503 49 49 ARG CB C 31.901 0.300 1 504 49 49 ARG CD C 43.833 0.300 1 505 49 49 ARG CG C 26.996 0.300 1 506 49 49 ARG N N 123.963 0.300 1 507 50 50 LEU H H 8.395 0.030 1 508 50 50 LEU HA H 5.445 0.030 1 509 50 50 LEU HB2 H 1.649 0.030 2 510 50 50 LEU HB3 H 1.228 0.030 2 511 50 50 LEU HD1 H 1.025 0.030 1 512 50 50 LEU HD2 H 0.945 0.030 1 513 50 50 LEU HG H 1.623 0.030 1 514 50 50 LEU C C 175.609 0.300 1 515 50 50 LEU CA C 52.816 0.300 1 516 50 50 LEU CB C 44.498 0.300 1 517 50 50 LEU CD1 C 27.717 0.300 2 518 50 50 LEU CD2 C 23.870 0.300 2 519 50 50 LEU CG C 27.000 0.300 1 520 50 50 LEU N N 126.131 0.300 1 521 51 51 ILE H H 9.378 0.030 1 522 51 51 ILE HA H 4.900 0.030 1 523 51 51 ILE HB H 1.668 0.030 1 524 51 51 ILE HD1 H 0.725 0.030 1 525 51 51 ILE HG12 H 1.422 0.030 2 526 51 51 ILE HG13 H 0.853 0.030 2 527 51 51 ILE HG2 H 0.679 0.030 1 528 51 51 ILE C C 175.026 0.300 1 529 51 51 ILE CA C 60.031 0.300 1 530 51 51 ILE CB C 41.687 0.300 1 531 51 51 ILE CD1 C 14.092 0.300 1 532 51 51 ILE CG1 C 27.879 0.300 1 533 51 51 ILE CG2 C 18.116 0.300 1 534 51 51 ILE N N 122.704 0.300 1 535 52 52 TYR H H 9.008 0.030 1 536 52 52 TYR HA H 5.235 0.030 1 537 52 52 TYR HB2 H 2.675 0.030 2 538 52 52 TYR HB3 H 2.834 0.030 2 539 52 52 TYR HD1 H 7.231 0.030 1 540 52 52 TYR HD2 H 7.231 0.030 1 541 52 52 TYR HE1 H 6.913 0.030 1 542 52 52 TYR HE2 H 6.913 0.030 1 543 52 52 TYR C C 175.072 0.300 1 544 52 52 TYR CA C 56.500 0.300 1 545 52 52 TYR CB C 42.098 0.300 1 546 52 52 TYR CD1 C 133.148 0.300 1 547 52 52 TYR CD2 C 133.148 0.300 1 548 52 52 TYR CE1 C 118.853 0.300 1 549 52 52 TYR CE2 C 118.853 0.300 1 550 52 52 TYR N N 126.198 0.300 1 551 53 53 GLN H H 9.280 0.030 1 552 53 53 GLN HA H 3.645 0.030 1 553 53 53 GLN HB2 H 1.586 0.030 2 554 53 53 GLN HB3 H 1.941 0.030 2 555 53 53 GLN HE21 H 7.156 0.030 2 556 53 53 GLN HE22 H 6.802 0.030 2 557 53 53 GLN HG2 H 1.636 0.030 2 558 53 53 GLN HG3 H 1.279 0.030 2 559 53 53 GLN C C 176.156 0.300 1 560 53 53 GLN CA C 56.354 0.300 1 561 53 53 GLN CB C 26.369 0.300 1 562 53 53 GLN CG C 33.186 0.300 1 563 53 53 GLN N N 128.075 0.300 1 564 53 53 GLN NE2 N 111.599 0.300 1 565 54 54 GLY H H 8.191 0.030 1 566 54 54 GLY HA2 H 3.437 0.030 2 567 54 54 GLY HA3 H 4.078 0.030 2 568 54 54 GLY C C 173.563 0.300 1 569 54 54 GLY CA C 45.319 0.300 1 570 54 54 GLY N N 103.045 0.300 1 571 55 55 ARG H H 7.869 0.030 1 572 55 55 ARG HA H 4.627 0.030 1 573 55 55 ARG HB2 H 1.955 0.030 1 574 55 55 ARG HB3 H 1.955 0.030 1 575 55 55 ARG HD2 H 3.356 0.030 1 576 55 55 ARG HD3 H 3.356 0.030 1 577 55 55 ARG HG2 H 1.660 0.030 2 578 55 55 ARG HG3 H 1.765 0.030 2 579 55 55 ARG C C 174.526 0.300 1 580 55 55 ARG CA C 54.664 0.300 1 581 55 55 ARG CB C 32.107 0.300 1 582 55 55 ARG CD C 44.081 0.300 1 583 55 55 ARG CG C 26.958 0.300 1 584 55 55 ARG N N 121.616 0.300 1 585 56 56 VAL H H 8.563 0.030 1 586 56 56 VAL HA H 4.312 0.030 1 587 56 56 VAL HB H 1.914 0.030 1 588 56 56 VAL HG1 H 0.925 0.030 1 589 56 56 VAL HG2 H 0.925 0.030 1 590 56 56 VAL C C 177.117 0.300 1 591 56 56 VAL CA C 62.239 0.300 1 592 56 56 VAL CB C 31.901 0.300 1 593 56 56 VAL CG1 C 21.897 0.300 2 594 56 56 VAL CG2 C 21.897 0.300 2 595 56 56 VAL N N 124.445 0.300 1 596 57 57 LEU H H 8.743 0.030 1 597 57 57 LEU HA H 3.850 0.030 1 598 57 57 LEU HB2 H 1.408 0.030 2 599 57 57 LEU HB3 H 1.147 0.030 2 600 57 57 LEU HD1 H 0.472 0.030 1 601 57 57 LEU HD2 H -0.038 0.030 1 602 57 57 LEU HG H 0.784 0.030 1 603 57 57 LEU C C 176.290 0.300 1 604 57 57 LEU CA C 56.001 0.300 1 605 57 57 LEU CB C 40.872 0.300 1 606 57 57 LEU CD1 C 25.021 0.300 2 607 57 57 LEU CD2 C 21.897 0.300 2 608 57 57 LEU CG C 27.331 0.300 1 609 57 57 LEU N N 129.571 0.300 1 610 58 58 GLN H H 8.195 0.030 1 611 58 58 GLN HA H 4.423 0.030 1 612 58 58 GLN HB2 H 2.045 0.030 2 613 58 58 GLN HB3 H 2.291 0.030 2 614 58 58 GLN HE21 H 7.023 0.030 2 615 58 58 GLN HE22 H 7.867 0.030 2 616 58 58 GLN HG2 H 2.541 0.030 1 617 58 58 GLN HG3 H 2.541 0.030 1 618 58 58 GLN C C 176.484 0.300 1 619 58 58 GLN CA C 55.439 0.300 1 620 58 58 GLN CB C 30.705 0.300 1 621 58 58 GLN CG C 34.064 0.300 1 622 58 58 GLN N N 122.505 0.300 1 623 58 58 GLN NE2 N 114.434 0.300 1 624 59 59 ASP H H 8.241 0.030 1 625 59 59 ASP HA H 4.364 0.030 1 626 59 59 ASP HB2 H 2.589 0.030 2 627 59 59 ASP C C 176.435 0.300 1 628 59 59 ASP CA C 57.706 0.300 1 629 59 59 ASP CB C 42.057 0.300 1 630 59 59 ASP N N 121.293 0.300 1 631 60 60 ASP H H 8.460 0.030 1 632 60 60 ASP HA H 4.600 0.030 1 633 60 60 ASP HB2 H 2.842 0.030 2 634 60 60 ASP HB3 H 2.657 0.030 2 635 60 60 ASP C C 176.545 0.300 1 636 60 60 ASP CA C 53.820 0.300 1 637 60 60 ASP CB C 40.158 0.300 1 638 60 60 ASP N N 112.872 0.300 1 639 61 61 LYS H H 7.758 0.030 1 640 61 61 LYS HA H 4.505 0.030 1 641 61 61 LYS HB2 H 2.227 0.030 2 642 61 61 LYS HB3 H 1.650 0.030 2 643 61 61 LYS HD2 H 1.551 0.030 2 644 61 61 LYS HD3 H 1.636 0.030 2 645 61 61 LYS HE2 H 2.868 0.030 2 646 61 61 LYS HG2 H 1.417 0.030 2 647 61 61 LYS HG3 H 1.560 0.030 2 648 61 61 LYS C C 176.338 0.300 1 649 61 61 LYS CA C 54.892 0.300 1 650 61 61 LYS CB C 34.176 0.300 1 651 61 61 LYS CD C 28.234 0.300 1 652 61 61 LYS CE C 42.450 0.300 1 653 61 61 LYS CG C 25.499 0.300 1 654 61 61 LYS N N 120.570 0.300 1 655 62 62 LYS H H 8.950 0.030 1 656 62 62 LYS HA H 4.377 0.030 1 657 62 62 LYS HB2 H 2.111 0.030 2 658 62 62 LYS HB3 H 1.750 0.030 2 659 62 62 LYS HD2 H 1.682 0.030 1 660 62 62 LYS HD3 H 1.682 0.030 1 661 62 62 LYS HE2 H 3.097 0.030 1 662 62 62 LYS HE3 H 3.097 0.030 1 663 62 62 LYS HG2 H 1.458 0.030 2 664 62 62 LYS HG3 H 1.683 0.030 2 665 62 62 LYS C C 178.425 0.300 1 666 62 62 LYS CA C 56.423 0.300 1 667 62 62 LYS CB C 32.691 0.300 1 668 62 62 LYS CD C 29.224 0.300 1 669 62 62 LYS CE C 42.367 0.300 1 670 62 62 LYS CG C 25.925 0.300 1 671 62 62 LYS N N 119.493 0.300 1 672 63 63 LEU H H 8.253 0.030 1 673 63 63 LEU HA H 3.836 0.030 1 674 63 63 LEU HB2 H 1.003 0.030 2 675 63 63 LEU HB3 H 1.581 0.030 2 676 63 63 LEU HD1 H 0.192 0.030 1 677 63 63 LEU HD2 H 0.318 0.030 1 678 63 63 LEU HG H 1.256 0.030 1 679 63 63 LEU C C 180.301 0.300 1 680 63 63 LEU CA C 58.631 0.300 1 681 63 63 LEU CB C 41.769 0.300 1 682 63 63 LEU CD1 C 22.705 0.300 2 683 63 63 LEU CD2 C 25.745 0.300 2 684 63 63 LEU CG C 26.752 0.300 1 685 63 63 LEU N N 122.734 0.300 1 686 64 64 GLN H H 9.099 0.030 1 687 64 64 GLN HA H 4.066 0.030 1 688 64 64 GLN HB2 H 1.980 0.030 2 689 64 64 GLN HB3 H 2.138 0.030 2 690 64 64 GLN HE21 H 7.398 0.030 2 691 64 64 GLN HE22 H 6.796 0.030 2 692 64 64 GLN HG2 H 2.381 0.030 1 693 64 64 GLN HG3 H 2.381 0.030 1 694 64 64 GLN C C 178.307 0.300 1 695 64 64 GLN CA C 58.250 0.300 1 696 64 64 GLN CB C 28.743 0.300 1 697 64 64 GLN CG C 33.433 0.300 1 698 64 64 GLN N N 115.289 0.300 1 699 64 64 GLN NE2 N 111.068 0.300 1 700 65 65 GLU H H 7.512 0.030 1 701 65 65 GLU HA H 4.000 0.030 1 702 65 65 GLU HB2 H 1.983 0.030 2 703 65 65 GLU HB3 H 1.819 0.030 2 704 65 65 GLU HG2 H 2.139 0.030 1 705 65 65 GLU HG3 H 2.139 0.030 1 706 65 65 GLU C C 177.372 0.300 1 707 65 65 GLU CA C 58.676 0.300 1 708 65 65 GLU CB C 29.245 0.300 1 709 65 65 GLU CG C 37.678 0.300 1 710 65 65 GLU N N 118.083 0.300 1 711 66 66 TYR H H 7.496 0.030 1 712 66 66 TYR HA H 4.459 0.030 1 713 66 66 TYR HB2 H 3.126 0.030 2 714 66 66 TYR HB3 H 2.613 0.030 2 715 66 66 TYR HD1 H 7.132 0.030 1 716 66 66 TYR HD2 H 7.132 0.030 1 717 66 66 TYR HE1 H 6.797 0.030 1 718 66 66 TYR HE2 H 6.797 0.030 1 719 66 66 TYR C C 175.256 0.300 1 720 66 66 TYR CA C 58.904 0.300 1 721 66 66 TYR CB C 39.871 0.300 1 722 66 66 TYR CD1 C 133.123 0.300 1 723 66 66 TYR CD2 C 133.123 0.300 1 724 66 66 TYR CE1 C 118.728 0.300 1 725 66 66 TYR CE2 C 118.728 0.300 1 726 66 66 TYR N N 114.912 0.300 1 727 67 67 ASN H H 7.812 0.030 1 728 67 67 ASN HA H 4.505 0.030 1 729 67 67 ASN HB2 H 2.759 0.030 2 730 67 67 ASN HB3 H 3.236 0.030 2 731 67 67 ASN HD21 H 6.867 0.030 2 732 67 67 ASN HD22 H 7.582 0.030 2 733 67 67 ASN C C 175.646 0.300 1 734 67 67 ASN CA C 54.329 0.300 1 735 67 67 ASN CB C 36.835 0.300 1 736 67 67 ASN N N 115.736 0.300 1 737 67 67 ASN ND2 N 112.080 0.300 1 738 68 68 VAL H H 7.003 0.030 1 739 68 68 VAL HA H 3.671 0.030 1 740 68 68 VAL HB H 2.087 0.030 1 741 68 68 VAL HG1 H 0.027 0.030 1 742 68 68 VAL HG2 H 0.409 0.030 1 743 68 68 VAL C C 175.293 0.300 1 744 68 68 VAL CA C 61.223 0.300 1 745 68 68 VAL CB C 31.326 0.300 1 746 68 68 VAL CG1 C 21.093 0.300 2 747 68 68 VAL CG2 C 18.867 0.300 2 748 68 68 VAL N N 107.313 0.300 1 749 69 69 GLY H H 8.436 0.030 1 750 69 69 GLY HA2 H 3.905 0.030 2 751 69 69 GLY HA3 H 3.632 0.030 2 752 69 69 GLY C C 176.386 0.300 1 753 69 69 GLY CA C 47.397 0.300 1 754 69 69 GLY N N 109.213 0.300 1 755 70 70 GLY H H 9.966 0.030 1 756 70 70 GLY HA2 H 4.082 0.030 2 757 70 70 GLY HA3 H 3.673 0.030 2 758 70 70 GLY C C 173.955 0.300 1 759 70 70 GLY CA C 45.901 0.300 1 760 70 70 GLY N N 116.026 0.300 1 761 71 71 LYS H H 8.306 0.030 1 762 71 71 LYS HA H 4.709 0.030 1 763 71 71 LYS HB2 H 1.982 0.030 2 764 71 71 LYS HB3 H 1.654 0.030 2 765 71 71 LYS HD2 H 1.714 0.030 1 766 71 71 LYS HD3 H 1.714 0.030 1 767 71 71 LYS HE2 H 3.086 0.030 1 768 71 71 LYS HE3 H 3.086 0.030 1 769 71 71 LYS HG2 H 1.232 0.030 2 770 71 71 LYS HG3 H 1.510 0.030 2 771 71 71 LYS C C 173.578 0.300 1 772 71 71 LYS CA C 53.291 0.300 1 773 71 71 LYS CB C 34.204 0.300 1 774 71 71 LYS CD C 28.063 0.300 1 775 71 71 LYS CE C 43.025 0.300 1 776 71 71 LYS CG C 24.024 0.300 1 777 71 71 LYS N N 120.373 0.300 1 778 72 72 VAL H H 7.849 0.030 1 779 72 72 VAL HA H 4.423 0.030 1 780 72 72 VAL HB H 1.995 0.030 1 781 72 72 VAL HG1 H 0.612 0.030 1 782 72 72 VAL HG2 H 0.973 0.030 1 783 72 72 VAL C C 175.997 0.300 1 784 72 72 VAL CA C 61.843 0.300 1 785 72 72 VAL CB C 32.889 0.300 1 786 72 72 VAL CG1 C 22.448 0.300 2 787 72 72 VAL CG2 C 22.043 0.300 2 788 72 72 VAL N N 117.171 0.300 1 789 73 73 ILE H H 9.203 0.030 1 790 73 73 ILE HA H 4.655 0.030 1 791 73 73 ILE HB H 1.875 0.030 1 792 73 73 ILE HD1 H 0.552 0.030 1 793 73 73 ILE HG12 H 1.545 0.030 2 794 73 73 ILE HG13 H 0.975 0.030 2 795 73 73 ILE HG2 H 0.830 0.030 1 796 73 73 ILE C C 174.810 0.300 1 797 73 73 ILE CA C 60.295 0.300 1 798 73 73 ILE CB C 40.119 0.300 1 799 73 73 ILE CD1 C 14.514 0.300 1 800 73 73 ILE CG1 C 26.830 0.300 1 801 73 73 ILE CG2 C 18.856 0.300 1 802 73 73 ILE N N 125.980 0.300 1 803 74 74 HIS H H 9.191 0.030 1 804 74 74 HIS HA H 5.110 0.030 1 805 74 74 HIS HB2 H 3.092 0.030 1 806 74 74 HIS HB3 H 3.092 0.030 1 807 74 74 HIS HD2 H 6.997 0.030 1 808 74 74 HIS HE1 H 7.700 0.030 1 809 74 74 HIS C C 174.064 0.300 1 810 74 74 HIS CA C 56.828 0.300 1 811 74 74 HIS CB C 32.102 0.300 1 812 74 74 HIS CD2 C 119.451 0.300 1 813 74 74 HIS CE1 C 138.334 0.300 1 814 74 74 HIS N N 124.919 0.300 1 815 75 75 LEU H H 8.283 0.030 1 816 75 75 LEU HA H 5.392 0.030 1 817 75 75 LEU HB2 H 1.580 0.030 2 818 75 75 LEU HB3 H 1.155 0.030 2 819 75 75 LEU HD1 H 0.806 0.030 1 820 75 75 LEU HD2 H 0.702 0.030 1 821 75 75 LEU HG H 1.296 0.030 1 822 75 75 LEU C C 175.584 0.300 1 823 75 75 LEU CA C 53.715 0.300 1 824 75 75 LEU CB C 44.065 0.300 1 825 75 75 LEU CD1 C 23.776 0.300 2 826 75 75 LEU CD2 C 26.985 0.300 2 827 75 75 LEU CG C 27.523 0.300 1 828 75 75 LEU N N 124.298 0.300 1 829 76 76 VAL H H 9.090 0.030 1 830 76 76 VAL HA H 4.544 0.030 1 831 76 76 VAL HB H 2.218 0.030 1 832 76 76 VAL HG1 H 0.947 0.030 1 833 76 76 VAL HG2 H 0.850 0.030 1 834 76 76 VAL C C 173.505 0.300 1 835 76 76 VAL CA C 59.644 0.300 1 836 76 76 VAL CB C 35.314 0.300 1 837 76 76 VAL CG1 C 21.530 0.300 2 838 76 76 VAL CG2 C 19.813 0.300 2 839 76 76 VAL N N 124.410 0.300 1 840 77 77 GLU H H 8.437 0.030 1 841 77 77 GLU HA H 4.791 0.030 1 842 77 77 GLU HB2 H 1.898 0.030 2 843 77 77 GLU HB3 H 2.008 0.030 2 844 77 77 GLU HG2 H 2.233 0.030 1 845 77 77 GLU HG3 H 2.233 0.030 1 846 77 77 GLU C C 176.861 0.300 1 847 77 77 GLU CA C 55.755 0.300 1 848 77 77 GLU CB C 31.205 0.300 1 849 77 77 GLU CG C 37.188 0.300 1 850 77 77 GLU N N 122.376 0.300 1 851 78 78 ARG H H 8.893 0.030 1 852 78 78 ARG HA H 4.250 0.030 1 853 78 78 ARG HB2 H 1.615 0.030 2 854 78 78 ARG HB3 H 1.709 0.030 2 855 78 78 ARG HD2 H 3.168 0.030 1 856 78 78 ARG HD3 H 3.168 0.030 1 857 78 78 ARG HG2 H 1.526 0.030 1 858 78 78 ARG HG3 H 1.526 0.030 1 859 78 78 ARG C C 174.822 0.300 1 860 78 78 ARG CA C 55.797 0.300 1 861 78 78 ARG CB C 31.737 0.300 1 862 78 78 ARG CD C 43.518 0.300 1 863 78 78 ARG CG C 26.996 0.300 1 864 78 78 ARG N N 125.679 0.300 1 865 79 79 ALA H H 8.459 0.030 1 866 79 79 ALA HA H 4.599 0.030 1 867 79 79 ALA HB H 1.388 0.030 1 868 79 79 ALA C C 175.718 0.300 1 869 79 79 ALA CA C 50.476 0.300 1 870 79 79 ALA CB C 18.081 0.300 1 871 79 79 ALA N N 127.744 0.300 1 872 80 80 PRO HA H 4.477 0.030 1 873 80 80 PRO HB2 H 2.295 0.030 2 874 80 80 PRO HB3 H 2.009 0.030 2 875 80 80 PRO HD2 H 3.710 0.030 2 876 80 80 PRO HD3 H 3.816 0.030 2 877 80 80 PRO HG2 H 1.995 0.030 2 878 80 80 PRO C C 176.938 0.300 1 879 80 80 PRO CA C 63.321 0.300 1 880 80 80 PRO CB C 32.005 0.300 1 881 80 80 PRO CD C 50.506 0.300 1 882 80 80 PRO CG C 27.734 0.300 1 883 81 81 SER H H 8.397 0.030 1 884 81 81 SER HA H 4.518 0.030 1 885 81 81 SER HB2 H 3.877 0.030 1 886 81 81 SER HB3 H 3.877 0.030 1 887 81 81 SER C C 174.575 0.300 1 888 81 81 SER CA C 58.254 0.300 1 889 81 81 SER CB C 64.095 0.300 1 890 81 81 SER N N 115.869 0.300 1 891 82 82 GLY H H 8.261 0.030 1 892 82 82 GLY C C 171.889 0.300 1 893 82 82 GLY CA C 44.704 0.300 1 894 82 82 GLY N N 110.567 0.300 1 895 83 83 PRO HD2 H 3.665 0.030 1 896 83 83 PRO HD3 H 3.665 0.030 1 897 83 83 PRO HG2 H 2.042 0.030 2 898 83 83 PRO CD C 49.857 0.300 1 stop_ save_