data_11240 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the e3_binding domain of dihydrolipoamide branched chaintransacylase ; _BMRB_accession_number 11240 _BMRB_flat_file_name bmr11240.str _Entry_type original _Submission_date 2010-07-23 _Accession_date 2010-07-23 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang H. . . 2 Hayashi F. . . 3 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" 376 "13C chemical shifts" 274 "15N chemical shifts" 61 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-03 original author . stop_ _Original_release_date 2011-08-03 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the e3_binding domain of dihydrolipoamide branched chaintransacylase ; _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 Zhang H. . . 2 Hayashi F. . . 3 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 ; Lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, mitochondrial ; _Enzyme_commission_number E.C.2.3.1.168 loop_ _Mol_system_component_name _Mol_label 'e3_binding 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 'e3_binding domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 70 _Mol_residue_sequence ; GSSGSSGHQEIKGRKTLATP AVRRLAMENNIKLSEVVGSG KDGRILKEDILNYLEKQTGA ILPPSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 HIS 9 GLN 10 GLU 11 ILE 12 LYS 13 GLY 14 ARG 15 LYS 16 THR 17 LEU 18 ALA 19 THR 20 PRO 21 ALA 22 VAL 23 ARG 24 ARG 25 LEU 26 ALA 27 MET 28 GLU 29 ASN 30 ASN 31 ILE 32 LYS 33 LEU 34 SER 35 GLU 36 VAL 37 VAL 38 GLY 39 SER 40 GLY 41 LYS 42 ASP 43 GLY 44 ARG 45 ILE 46 LEU 47 LYS 48 GLU 49 ASP 50 ILE 51 LEU 52 ASN 53 TYR 54 LEU 55 GLU 56 LYS 57 GLN 58 THR 59 GLY 60 ALA 61 ILE 62 LEU 63 PRO 64 PRO 65 SER 66 GLY 67 PRO 68 SER 69 SER 70 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 1ZWV "Solution Structure Of The Subunit Binding Domain (Hbsbd) Of The Human Mitochondrial Branched-Chain Alpha-Ketoacid Dehydrogenase" 70.00 58 100.00 100.00 1.93e-25 PDB 2COO "Solution Structure Of The E3_binding Domain Of Dihydrolipoamide Branched Chaintransacylase" 100.00 70 100.00 100.00 1.76e-40 PDB 3RNM "The Crystal Structure Of The Subunit Binding Of Human Dihydrolipoamide Transacylase (E2b) Bound To Human Dihydrolipoamide Dehyd" 70.00 58 97.96 97.96 1.77e-24 DBJ BAE90611 "unnamed protein product [Macaca fascicularis]" 55.71 301 97.44 97.44 3.30e-16 DBJ BAG64869 "unnamed protein product [Homo sapiens]" 55.71 301 100.00 100.00 1.25e-16 GB AAA59200 "alpha-keto acid dehydrogenase precursor [Homo sapiens]" 82.86 315 100.00 100.00 2.05e-30 REF XP_001488662 "PREDICTED: lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, mitochondrial [Equus ca" 82.86 482 98.28 100.00 2.20e-29 REF XP_004471743 "PREDICTED: lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, mitochondrial isoform X" 52.86 301 97.30 97.30 3.41e-14 REF XP_005077165 "PREDICTED: lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, mitochondrial [Mesocric" 82.86 483 98.28 100.00 2.52e-29 REF XP_005270602 "PREDICTED: lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, mitochondrial isoform X" 55.71 301 100.00 100.00 1.16e-16 REF XP_005270603 "PREDICTED: lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, mitochondrial isoform X" 55.71 301 100.00 100.00 1.16e-16 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 P040510-10 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.11mM 13C, 15N-labeled {protein;} 20mM d-Tris-HCl {(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.11 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_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRview _Saveframe_category software _Name NMRView _Version 5.04 loop_ _Vendor _Address _Electronic_address 'Johnson B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9296 loop_ _Vendor _Address _Electronic_address 'Kobayashi N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 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 Varian _Model INOVA _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' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 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 $VNMR $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 'e3_binding 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 8 8 HIS HA H 4.603 0.030 1 2 8 8 HIS HB2 H 3.114 0.030 2 3 8 8 HIS HB3 H 3.057 0.030 2 4 8 8 HIS HD2 H 6.990 0.030 1 5 8 8 HIS HE1 H 7.855 0.030 1 6 8 8 HIS C C 175.453 0.300 1 7 8 8 HIS CA C 56.574 0.300 1 8 8 8 HIS CB C 30.865 0.300 1 9 8 8 HIS CD2 C 119.784 0.300 1 10 8 8 HIS CE1 C 138.453 0.300 1 11 9 9 GLN H H 8.338 0.030 1 12 9 9 GLN HA H 4.292 0.030 1 13 9 9 GLN HB2 H 2.040 0.030 2 14 9 9 GLN HB3 H 1.925 0.030 2 15 9 9 GLN HE21 H 7.499 0.030 2 16 9 9 GLN HE22 H 6.855 0.030 2 17 9 9 GLN HG2 H 2.293 0.030 1 18 9 9 GLN HG3 H 2.293 0.030 1 19 9 9 GLN C C 175.613 0.300 1 20 9 9 GLN CA C 55.786 0.300 1 21 9 9 GLN CB C 29.616 0.300 1 22 9 9 GLN CG C 33.778 0.300 1 23 9 9 GLN N N 121.873 0.300 1 24 9 9 GLN NE2 N 112.465 0.300 1 25 10 10 GLU H H 8.480 0.030 1 26 10 10 GLU HA H 4.268 0.030 1 27 10 10 GLU HB2 H 1.996 0.030 2 28 10 10 GLU HB3 H 1.922 0.030 2 29 10 10 GLU HG2 H 2.191 0.030 2 30 10 10 GLU HG3 H 2.252 0.030 2 31 10 10 GLU C C 176.391 0.300 1 32 10 10 GLU CA C 56.541 0.300 1 33 10 10 GLU CB C 30.382 0.300 1 34 10 10 GLU CG C 36.263 0.300 1 35 10 10 GLU N N 122.722 0.300 1 36 11 11 ILE H H 8.280 0.030 1 37 11 11 ILE HA H 4.120 0.030 1 38 11 11 ILE HB H 1.838 0.030 1 39 11 11 ILE HD1 H 0.864 0.030 1 40 11 11 ILE HG12 H 1.467 0.030 2 41 11 11 ILE HG13 H 1.166 0.030 2 42 11 11 ILE HG2 H 0.877 0.030 1 43 11 11 ILE C C 176.364 0.300 1 44 11 11 ILE CA C 61.245 0.300 1 45 11 11 ILE CB C 38.498 0.300 1 46 11 11 ILE CD1 C 12.843 0.300 1 47 11 11 ILE CG1 C 27.313 0.300 1 48 11 11 ILE CG2 C 17.603 0.300 1 49 11 11 ILE N N 123.040 0.300 1 50 12 12 LYS H H 8.426 0.030 1 51 12 12 LYS HA H 4.302 0.030 1 52 12 12 LYS HB2 H 1.828 0.030 2 53 12 12 LYS HB3 H 1.772 0.030 2 54 12 12 LYS HD2 H 1.663 0.030 1 55 12 12 LYS HD3 H 1.663 0.030 1 56 12 12 LYS HE2 H 2.974 0.030 1 57 12 12 LYS HE3 H 2.974 0.030 1 58 12 12 LYS HG2 H 1.448 0.030 2 59 12 12 LYS HG3 H 1.394 0.030 2 60 12 12 LYS C C 177.050 0.300 1 61 12 12 LYS CA C 56.526 0.300 1 62 12 12 LYS CB C 32.944 0.300 1 63 12 12 LYS CD C 29.062 0.300 1 64 12 12 LYS CE C 42.159 0.300 1 65 12 12 LYS CG C 24.865 0.300 1 66 12 12 LYS N N 125.838 0.300 1 67 13 13 GLY H H 8.404 0.030 1 68 13 13 GLY HA2 H 3.932 0.030 1 69 13 13 GLY HA3 H 3.932 0.030 1 70 13 13 GLY C C 173.887 0.300 1 71 13 13 GLY CA C 45.282 0.300 1 72 13 13 GLY N N 110.043 0.300 1 73 14 14 ARG H H 8.089 0.030 1 74 14 14 ARG HA H 4.326 0.030 1 75 14 14 ARG HB2 H 1.825 0.030 2 76 14 14 ARG HB3 H 1.750 0.030 2 77 14 14 ARG HD2 H 3.190 0.030 1 78 14 14 ARG HD3 H 3.190 0.030 1 79 14 14 ARG HG2 H 1.598 0.030 2 80 14 14 ARG HG3 H 1.584 0.030 2 81 14 14 ARG C C 176.185 0.300 1 82 14 14 ARG CA C 56.043 0.300 1 83 14 14 ARG CB C 31.106 0.300 1 84 14 14 ARG CD C 43.474 0.300 1 85 14 14 ARG CG C 27.025 0.300 1 86 14 14 ARG N N 120.726 0.300 1 87 15 15 LYS H H 8.479 0.030 1 88 15 15 LYS HA H 4.386 0.030 1 89 15 15 LYS HB2 H 1.784 0.030 2 90 15 15 LYS HB3 H 1.741 0.030 2 91 15 15 LYS HD2 H 1.673 0.030 1 92 15 15 LYS HD3 H 1.673 0.030 1 93 15 15 LYS HE2 H 3.002 0.030 1 94 15 15 LYS HE3 H 3.002 0.030 1 95 15 15 LYS HG2 H 1.443 0.030 2 96 15 15 LYS HG3 H 1.372 0.030 2 97 15 15 LYS C C 176.318 0.300 1 98 15 15 LYS CA C 56.087 0.300 1 99 15 15 LYS CB C 33.128 0.300 1 100 15 15 LYS CD C 29.067 0.300 1 101 15 15 LYS CE C 42.221 0.300 1 102 15 15 LYS CG C 24.807 0.300 1 103 15 15 LYS N N 123.994 0.300 1 104 16 16 THR H H 8.325 0.030 1 105 16 16 THR HA H 4.152 0.030 1 106 16 16 THR HB H 3.931 0.030 1 107 16 16 THR HG2 H 1.057 0.030 1 108 16 16 THR C C 173.541 0.300 1 109 16 16 THR CA C 62.142 0.300 1 110 16 16 THR CB C 70.099 0.300 1 111 16 16 THR CG2 C 22.154 0.300 1 112 16 16 THR N N 118.278 0.300 1 113 17 17 LEU H H 8.783 0.030 1 114 17 17 LEU HA H 4.568 0.030 1 115 17 17 LEU HB2 H 1.447 0.030 2 116 17 17 LEU HB3 H 1.403 0.030 2 117 17 17 LEU HD1 H 0.896 0.030 1 118 17 17 LEU HD2 H 0.828 0.030 1 119 17 17 LEU HG H 1.394 0.030 1 120 17 17 LEU C C 173.954 0.300 1 121 17 17 LEU CA C 53.977 0.300 1 122 17 17 LEU CB C 43.445 0.300 1 123 17 17 LEU CD1 C 24.682 0.300 2 124 17 17 LEU CD2 C 24.446 0.300 2 125 17 17 LEU CG C 26.874 0.300 1 126 17 17 LEU N N 128.658 0.300 1 127 18 18 ALA H H 8.132 0.030 1 128 18 18 ALA HA H 4.731 0.030 1 129 18 18 ALA HB H 1.256 0.030 1 130 18 18 ALA C C 176.335 0.300 1 131 18 18 ALA CA C 51.488 0.300 1 132 18 18 ALA CB C 21.890 0.300 1 133 18 18 ALA N N 123.784 0.300 1 134 19 19 THR H H 8.668 0.030 1 135 19 19 THR HA H 4.635 0.030 1 136 19 19 THR HB H 4.822 0.030 1 137 19 19 THR HG2 H 1.436 0.030 1 138 19 19 THR C C 173.602 0.300 1 139 19 19 THR CA C 60.490 0.300 1 140 19 19 THR CB C 68.394 0.300 1 141 19 19 THR CG2 C 22.663 0.300 1 142 19 19 THR N N 114.877 0.300 1 143 20 20 PRO HA H 4.210 0.030 1 144 20 20 PRO HB2 H 2.442 0.030 2 145 20 20 PRO HB3 H 2.007 0.030 2 146 20 20 PRO HD2 H 4.005 0.030 2 147 20 20 PRO HD3 H 3.955 0.030 2 148 20 20 PRO HG2 H 2.272 0.030 2 149 20 20 PRO HG3 H 2.087 0.030 2 150 20 20 PRO CA C 66.089 0.300 1 151 20 20 PRO CB C 31.893 0.300 1 152 20 20 PRO CD C 50.631 0.300 1 153 20 20 PRO CG C 28.127 0.300 1 154 21 21 ALA H H 8.261 0.030 1 155 21 21 ALA HA H 4.128 0.030 1 156 21 21 ALA HB H 1.465 0.030 1 157 21 21 ALA C C 180.976 0.300 1 158 21 21 ALA CA C 55.348 0.300 1 159 21 21 ALA CB C 18.677 0.300 1 160 22 22 VAL H H 7.597 0.030 1 161 22 22 VAL HA H 3.504 0.030 1 162 22 22 VAL HB H 2.137 0.030 1 163 22 22 VAL HG1 H 1.029 0.030 1 164 22 22 VAL HG2 H 0.759 0.030 1 165 22 22 VAL C C 177.319 0.300 1 166 22 22 VAL CA C 67.115 0.300 1 167 22 22 VAL CB C 31.498 0.300 1 168 22 22 VAL CG1 C 24.380 0.300 2 169 22 22 VAL CG2 C 21.407 0.300 2 170 22 22 VAL N N 122.029 0.300 1 171 23 23 ARG H H 8.462 0.030 1 172 23 23 ARG HA H 3.837 0.030 1 173 23 23 ARG HB2 H 1.832 0.030 1 174 23 23 ARG HB3 H 1.832 0.030 1 175 23 23 ARG HD2 H 3.242 0.030 2 176 23 23 ARG HD3 H 2.999 0.030 2 177 23 23 ARG HG2 H 1.655 0.030 2 178 23 23 ARG HG3 H 1.464 0.030 2 179 23 23 ARG C C 179.349 0.300 1 180 23 23 ARG CA C 60.163 0.300 1 181 23 23 ARG CB C 29.575 0.300 1 182 23 23 ARG CD C 43.411 0.300 1 183 23 23 ARG CG C 29.443 0.300 1 184 23 23 ARG N N 119.410 0.300 1 185 24 24 ARG H H 8.431 0.030 1 186 24 24 ARG HA H 4.105 0.030 1 187 24 24 ARG HB2 H 1.901 0.030 1 188 24 24 ARG HB3 H 1.901 0.030 1 189 24 24 ARG HD2 H 3.208 0.030 1 190 24 24 ARG HD3 H 3.208 0.030 1 191 24 24 ARG HG2 H 1.704 0.030 2 192 24 24 ARG HG3 H 1.568 0.030 2 193 24 24 ARG C C 177.451 0.300 1 194 24 24 ARG CA C 59.343 0.300 1 195 24 24 ARG CB C 29.844 0.300 1 196 24 24 ARG CD C 43.413 0.300 1 197 24 24 ARG CG C 27.281 0.300 1 198 24 24 ARG N N 120.252 0.300 1 199 25 25 LEU H H 7.553 0.030 1 200 25 25 LEU HA H 4.189 0.030 1 201 25 25 LEU HB2 H 1.872 0.030 2 202 25 25 LEU HB3 H 1.686 0.030 2 203 25 25 LEU HD1 H 0.900 0.030 1 204 25 25 LEU HD2 H 0.919 0.030 1 205 25 25 LEU HG H 1.502 0.030 1 206 25 25 LEU C C 179.650 0.300 1 207 25 25 LEU CA C 57.627 0.300 1 208 25 25 LEU CB C 42.329 0.300 1 209 25 25 LEU CD1 C 26.200 0.300 2 210 25 25 LEU CD2 C 23.539 0.300 2 211 25 25 LEU CG C 27.287 0.300 1 212 25 25 LEU N N 120.894 0.300 1 213 26 26 ALA H H 8.226 0.030 1 214 26 26 ALA HA H 3.885 0.030 1 215 26 26 ALA HB H 1.420 0.030 1 216 26 26 ALA C C 179.250 0.300 1 217 26 26 ALA CA C 55.793 0.300 1 218 26 26 ALA CB C 17.712 0.300 1 219 26 26 ALA N N 120.615 0.300 1 220 27 27 MET H H 8.133 0.030 1 221 27 27 MET HA H 4.209 0.030 1 222 27 27 MET HB2 H 2.265 0.030 1 223 27 27 MET HB3 H 2.265 0.030 1 224 27 27 MET HE H 2.121 0.030 1 225 27 27 MET HG2 H 2.634 0.030 2 226 27 27 MET HG3 H 2.744 0.030 2 227 27 27 MET C C 180.742 0.300 1 228 27 27 MET CA C 59.095 0.300 1 229 27 27 MET CB C 32.434 0.300 1 230 27 27 MET CE C 17.037 0.300 1 231 27 27 MET CG C 31.950 0.300 1 232 27 27 MET N N 118.816 0.300 1 233 28 28 GLU H H 8.750 0.030 1 234 28 28 GLU HA H 4.050 0.030 1 235 28 28 GLU HB2 H 2.146 0.030 2 236 28 28 GLU HB3 H 2.019 0.030 2 237 28 28 GLU HG2 H 2.473 0.030 2 238 28 28 GLU HG3 H 2.326 0.030 2 239 28 28 GLU C C 176.978 0.300 1 240 28 28 GLU CA C 58.697 0.300 1 241 28 28 GLU CB C 29.685 0.300 1 242 28 28 GLU CG C 36.897 0.300 1 243 28 28 GLU N N 119.783 0.300 1 244 29 29 ASN H H 7.260 0.030 1 245 29 29 ASN HA H 4.814 0.030 1 246 29 29 ASN HB2 H 2.952 0.030 2 247 29 29 ASN HB3 H 2.354 0.030 2 248 29 29 ASN HD21 H 7.742 0.030 2 249 29 29 ASN HD22 H 7.450 0.030 2 250 29 29 ASN C C 172.726 0.300 1 251 29 29 ASN CA C 53.668 0.300 1 252 29 29 ASN CB C 41.303 0.300 1 253 29 29 ASN N N 114.314 0.300 1 254 29 29 ASN ND2 N 115.435 0.300 1 255 30 30 ASN H H 7.975 0.030 1 256 30 30 ASN HA H 4.374 0.030 1 257 30 30 ASN HB2 H 3.092 0.030 2 258 30 30 ASN HB3 H 2.758 0.030 2 259 30 30 ASN HD21 H 7.626 0.030 2 260 30 30 ASN HD22 H 6.831 0.030 2 261 30 30 ASN C C 173.831 0.300 1 262 30 30 ASN CA C 54.680 0.300 1 263 30 30 ASN CB C 37.350 0.300 1 264 30 30 ASN N N 115.833 0.300 1 265 30 30 ASN ND2 N 113.090 0.300 1 266 31 31 ILE H H 8.108 0.030 1 267 31 31 ILE HA H 4.163 0.030 1 268 31 31 ILE HB H 1.518 0.030 1 269 31 31 ILE HD1 H 0.794 0.030 1 270 31 31 ILE HG12 H 1.038 0.030 2 271 31 31 ILE HG13 H 1.428 0.030 2 272 31 31 ILE HG2 H 0.409 0.030 1 273 31 31 ILE C C 175.578 0.300 1 274 31 31 ILE CA C 59.770 0.300 1 275 31 31 ILE CB C 40.278 0.300 1 276 31 31 ILE CD1 C 14.792 0.300 1 277 31 31 ILE CG1 C 27.018 0.300 1 278 31 31 ILE CG2 C 17.353 0.300 1 279 31 31 ILE N N 117.538 0.300 1 280 32 32 LYS H H 8.646 0.030 1 281 32 32 LYS HA H 4.260 0.030 1 282 32 32 LYS HB2 H 1.781 0.030 2 283 32 32 LYS HB3 H 1.660 0.030 2 284 32 32 LYS HD2 H 1.632 0.030 1 285 32 32 LYS HD3 H 1.632 0.030 1 286 32 32 LYS HE2 H 2.966 0.030 1 287 32 32 LYS HE3 H 2.966 0.030 1 288 32 32 LYS HG2 H 1.470 0.030 2 289 32 32 LYS HG3 H 1.369 0.030 2 290 32 32 LYS C C 176.791 0.300 1 291 32 32 LYS CA C 55.355 0.300 1 292 32 32 LYS CB C 32.212 0.300 1 293 32 32 LYS CD C 29.230 0.300 1 294 32 32 LYS CE C 42.066 0.300 1 295 32 32 LYS CG C 24.807 0.300 1 296 32 32 LYS N N 127.613 0.300 1 297 33 33 LEU H H 8.410 0.030 1 298 33 33 LEU HA H 3.659 0.030 1 299 33 33 LEU HB2 H 1.650 0.030 2 300 33 33 LEU HB3 H 1.440 0.030 2 301 33 33 LEU HD1 H 0.773 0.030 1 302 33 33 LEU HD2 H 0.666 0.030 1 303 33 33 LEU HG H 1.669 0.030 1 304 33 33 LEU C C 177.639 0.300 1 305 33 33 LEU CA C 57.738 0.300 1 306 33 33 LEU CB C 41.334 0.300 1 307 33 33 LEU CD1 C 25.913 0.300 2 308 33 33 LEU CD2 C 24.419 0.300 2 309 33 33 LEU CG C 26.658 0.300 1 310 33 33 LEU N N 126.465 0.300 1 311 34 34 SER H H 7.929 0.030 1 312 34 34 SER HA H 4.027 0.030 1 313 34 34 SER HB2 H 3.780 0.030 2 314 34 34 SER HB3 H 3.970 0.030 2 315 34 34 SER C C 175.322 0.300 1 316 34 34 SER CA C 60.046 0.300 1 317 34 34 SER CB C 62.481 0.300 1 318 34 34 SER N N 109.307 0.300 1 319 35 35 GLU H H 7.723 0.030 1 320 35 35 GLU HA H 4.255 0.030 1 321 35 35 GLU HB2 H 2.285 0.030 2 322 35 35 GLU HB3 H 1.938 0.030 2 323 35 35 GLU HG2 H 2.214 0.030 2 324 35 35 GLU HG3 H 2.271 0.030 2 325 35 35 GLU C C 175.358 0.300 1 326 35 35 GLU CA C 56.249 0.300 1 327 35 35 GLU CB C 30.278 0.300 1 328 35 35 GLU CG C 37.085 0.300 1 329 35 35 GLU N N 119.650 0.300 1 330 36 36 VAL H H 7.299 0.030 1 331 36 36 VAL HA H 3.828 0.030 1 332 36 36 VAL HB H 1.914 0.030 1 333 36 36 VAL HG1 H 0.338 0.030 1 334 36 36 VAL HG2 H 0.629 0.030 1 335 36 36 VAL C C 174.431 0.300 1 336 36 36 VAL CA C 61.587 0.300 1 337 36 36 VAL CB C 32.977 0.300 1 338 36 36 VAL CG1 C 21.220 0.300 2 339 36 36 VAL CG2 C 22.514 0.300 2 340 36 36 VAL N N 119.757 0.300 1 341 37 37 VAL H H 8.486 0.030 1 342 37 37 VAL HA H 3.855 0.030 1 343 37 37 VAL HB H 1.963 0.030 1 344 37 37 VAL HG1 H 0.936 0.030 1 345 37 37 VAL HG2 H 0.880 0.030 1 346 37 37 VAL C C 176.000 0.300 1 347 37 37 VAL CA C 62.421 0.300 1 348 37 37 VAL CB C 31.939 0.300 1 349 37 37 VAL CG1 C 21.236 0.300 2 350 37 37 VAL CG2 C 21.241 0.300 2 351 37 37 VAL N N 127.531 0.300 1 352 38 38 GLY H H 8.619 0.030 1 353 38 38 GLY HA2 H 4.265 0.030 2 354 38 38 GLY HA3 H 3.375 0.030 2 355 38 38 GLY C C 174.795 0.300 1 356 38 38 GLY CA C 45.854 0.300 1 357 38 38 GLY N N 116.021 0.300 1 358 39 39 SER H H 10.144 0.030 1 359 39 39 SER HA H 4.597 0.030 1 360 39 39 SER HB2 H 4.085 0.030 2 361 39 39 SER HB3 H 3.775 0.030 2 362 39 39 SER C C 176.300 0.300 1 363 39 39 SER CA C 58.205 0.300 1 364 39 39 SER CB C 64.110 0.300 1 365 39 39 SER N N 120.436 0.300 1 366 40 40 GLY H H 8.982 0.030 1 367 40 40 GLY HA2 H 4.363 0.030 2 368 40 40 GLY HA3 H 3.547 0.030 2 369 40 40 GLY C C 173.556 0.300 1 370 40 40 GLY CA C 44.310 0.300 1 371 40 40 GLY N N 111.377 0.300 1 372 41 41 LYS H H 8.764 0.030 1 373 41 41 LYS HA H 4.096 0.030 1 374 41 41 LYS HB2 H 1.826 0.030 2 375 41 41 LYS HB3 H 1.722 0.030 2 376 41 41 LYS HD2 H 1.725 0.030 1 377 41 41 LYS HD3 H 1.725 0.030 1 378 41 41 LYS HE2 H 3.023 0.030 1 379 41 41 LYS HE3 H 3.023 0.030 1 380 41 41 LYS HG2 H 1.482 0.030 2 381 41 41 LYS HG3 H 1.406 0.030 2 382 41 41 LYS C C 179.113 0.300 1 383 41 41 LYS CA C 57.916 0.300 1 384 41 41 LYS CB C 31.956 0.300 1 385 41 41 LYS CD C 29.185 0.300 1 386 41 41 LYS CE C 42.208 0.300 1 387 41 41 LYS CG C 24.846 0.300 1 388 41 41 LYS N N 122.576 0.300 1 389 42 42 ASP H H 9.327 0.030 1 390 42 42 ASP HA H 4.318 0.030 1 391 42 42 ASP HB2 H 2.881 0.030 2 392 42 42 ASP HB3 H 2.770 0.030 2 393 42 42 ASP C C 175.137 0.300 1 394 42 42 ASP CA C 55.747 0.300 1 395 42 42 ASP CB C 39.609 0.300 1 396 43 43 GLY H H 7.890 0.030 1 397 43 43 GLY HA2 H 4.058 0.030 2 398 43 43 GLY HA3 H 3.549 0.030 2 399 43 43 GLY C C 174.695 0.300 1 400 43 43 GLY CA C 45.318 0.300 1 401 43 43 GLY N N 103.800 0.300 1 402 44 44 ARG H H 7.068 0.030 1 403 44 44 ARG HA H 4.151 0.030 1 404 44 44 ARG HB2 H 1.393 0.030 2 405 44 44 ARG HB3 H 1.915 0.030 2 406 44 44 ARG HD2 H 3.069 0.030 2 407 44 44 ARG HD3 H 3.472 0.030 2 408 44 44 ARG HG2 H 1.519 0.030 2 409 44 44 ARG HG3 H 1.283 0.030 2 410 44 44 ARG C C 174.303 0.300 1 411 44 44 ARG CA C 56.796 0.300 1 412 44 44 ARG CB C 31.532 0.300 1 413 44 44 ARG CD C 43.036 0.300 1 414 44 44 ARG CG C 27.434 0.300 1 415 44 44 ARG N N 121.726 0.300 1 416 45 45 ILE H H 8.494 0.030 1 417 45 45 ILE HA H 4.258 0.030 1 418 45 45 ILE HB H 1.722 0.030 1 419 45 45 ILE HD1 H 0.849 0.030 1 420 45 45 ILE HG12 H 1.802 0.030 2 421 45 45 ILE HG13 H 0.840 0.030 2 422 45 45 ILE HG2 H 0.823 0.030 1 423 45 45 ILE C C 174.438 0.300 1 424 45 45 ILE CA C 61.278 0.300 1 425 45 45 ILE CB C 38.677 0.300 1 426 45 45 ILE CD1 C 15.257 0.300 1 427 45 45 ILE CG1 C 28.359 0.300 1 428 45 45 ILE CG2 C 18.963 0.300 1 429 45 45 ILE N N 125.823 0.300 1 430 46 46 LEU H H 9.511 0.030 1 431 46 46 LEU HA H 4.719 0.030 1 432 46 46 LEU HB2 H 1.828 0.030 2 433 46 46 LEU HB3 H 1.551 0.030 2 434 46 46 LEU HD1 H 0.845 0.030 1 435 46 46 LEU HD2 H 0.835 0.030 1 436 46 46 LEU HG H 1.667 0.030 1 437 46 46 LEU C C 179.350 0.300 1 438 46 46 LEU CA C 52.715 0.300 1 439 46 46 LEU CB C 43.838 0.300 1 440 46 46 LEU CD1 C 25.278 0.300 2 441 46 46 LEU CD2 C 22.239 0.300 2 442 46 46 LEU CG C 26.688 0.300 1 443 46 46 LEU N N 128.781 0.300 1 444 47 47 LYS H H 9.321 0.030 1 445 47 47 LYS HA H 3.704 0.030 1 446 47 47 LYS HB2 H 1.870 0.030 2 447 47 47 LYS HB3 H 1.722 0.030 2 448 47 47 LYS HD2 H 1.667 0.030 1 449 47 47 LYS HD3 H 1.667 0.030 1 450 47 47 LYS HE2 H 2.907 0.030 1 451 47 47 LYS HE3 H 2.907 0.030 1 452 47 47 LYS HG2 H 1.211 0.030 2 453 47 47 LYS HG3 H 1.345 0.030 2 454 47 47 LYS C C 178.541 0.300 1 455 47 47 LYS CA C 60.954 0.300 1 456 47 47 LYS CB C 31.982 0.300 1 457 47 47 LYS CD C 29.692 0.300 1 458 47 47 LYS CE C 42.033 0.300 1 459 47 47 LYS CG C 25.093 0.300 1 460 47 47 LYS N N 124.028 0.300 1 461 48 48 GLU H H 9.637 0.030 1 462 48 48 GLU HA H 3.887 0.030 1 463 48 48 GLU HB2 H 1.971 0.030 1 464 48 48 GLU HB3 H 1.971 0.030 1 465 48 48 GLU HG2 H 2.423 0.030 2 466 48 48 GLU HG3 H 2.215 0.030 2 467 48 48 GLU C C 178.259 0.300 1 468 48 48 GLU CA C 60.328 0.300 1 469 48 48 GLU CB C 28.874 0.300 1 470 48 48 GLU CG C 37.204 0.300 1 471 48 48 GLU N N 116.287 0.300 1 472 49 49 ASP H H 7.416 0.030 1 473 49 49 ASP HA H 4.530 0.030 1 474 49 49 ASP HB2 H 3.174 0.030 2 475 49 49 ASP HB3 H 2.706 0.030 2 476 49 49 ASP C C 179.397 0.300 1 477 49 49 ASP CA C 57.332 0.300 1 478 49 49 ASP CB C 40.937 0.300 1 479 49 49 ASP N N 118.497 0.300 1 480 50 50 ILE H H 7.394 0.030 1 481 50 50 ILE HA H 3.703 0.030 1 482 50 50 ILE HB H 2.383 0.030 1 483 50 50 ILE HD1 H 0.619 0.030 1 484 50 50 ILE HG12 H 1.514 0.030 2 485 50 50 ILE HG13 H 1.348 0.030 2 486 50 50 ILE HG2 H 0.769 0.030 1 487 50 50 ILE C C 177.386 0.300 1 488 50 50 ILE CA C 62.656 0.300 1 489 50 50 ILE CB C 35.511 0.300 1 490 50 50 ILE CD1 C 11.251 0.300 1 491 50 50 ILE CG1 C 27.733 0.300 1 492 50 50 ILE CG2 C 17.559 0.300 1 493 50 50 ILE N N 119.824 0.300 1 494 51 51 LEU H H 8.105 0.030 1 495 51 51 LEU HA H 4.048 0.030 1 496 51 51 LEU HB2 H 1.787 0.030 2 497 51 51 LEU HB3 H 1.581 0.030 2 498 51 51 LEU HD1 H 0.881 0.030 1 499 51 51 LEU HD2 H 0.849 0.030 1 500 51 51 LEU HG H 1.763 0.030 1 501 51 51 LEU C C 179.876 0.300 1 502 51 51 LEU CA C 58.272 0.300 1 503 51 51 LEU CB C 40.397 0.300 1 504 51 51 LEU CD1 C 25.371 0.300 2 505 51 51 LEU CD2 C 22.043 0.300 2 506 51 51 LEU CG C 26.959 0.300 1 507 51 51 LEU N N 118.858 0.300 1 508 52 52 ASN H H 8.371 0.030 1 509 52 52 ASN HA H 4.527 0.030 1 510 52 52 ASN HB2 H 2.955 0.030 2 511 52 52 ASN HB3 H 2.836 0.030 2 512 52 52 ASN HD21 H 7.773 0.030 2 513 52 52 ASN HD22 H 6.962 0.030 2 514 52 52 ASN C C 177.057 0.300 1 515 52 52 ASN CA C 56.116 0.300 1 516 52 52 ASN CB C 38.563 0.300 1 517 52 52 ASN N N 117.673 0.300 1 518 52 52 ASN ND2 N 112.694 0.300 1 519 53 53 TYR H H 7.775 0.030 1 520 53 53 TYR HA H 4.146 0.030 1 521 53 53 TYR HB2 H 3.202 0.030 2 522 53 53 TYR HB3 H 3.283 0.030 2 523 53 53 TYR HD1 H 7.033 0.030 1 524 53 53 TYR HD2 H 7.033 0.030 1 525 53 53 TYR HE1 H 6.816 0.030 1 526 53 53 TYR HE2 H 6.816 0.030 1 527 53 53 TYR C C 178.060 0.300 1 528 53 53 TYR CA C 61.717 0.300 1 529 53 53 TYR CB C 38.601 0.300 1 530 53 53 TYR CD1 C 133.183 0.300 1 531 53 53 TYR CD2 C 133.183 0.300 1 532 53 53 TYR CE1 C 118.677 0.300 1 533 53 53 TYR CE2 C 118.677 0.300 1 534 53 53 TYR N N 121.815 0.300 1 535 54 54 LEU H H 8.304 0.030 1 536 54 54 LEU HA H 4.027 0.030 1 537 54 54 LEU HB2 H 1.889 0.030 2 538 54 54 LEU HB3 H 1.694 0.030 2 539 54 54 LEU HD1 H 0.879 0.030 1 540 54 54 LEU HD2 H 0.943 0.030 1 541 54 54 LEU HG H 1.855 0.030 1 542 54 54 LEU C C 179.385 0.300 1 543 54 54 LEU CA C 57.583 0.300 1 544 54 54 LEU CB C 42.269 0.300 1 545 54 54 LEU CD1 C 25.183 0.300 2 546 54 54 LEU CD2 C 23.868 0.300 2 547 54 54 LEU CG C 26.802 0.300 1 548 54 54 LEU N N 119.398 0.300 1 549 55 55 GLU H H 7.973 0.030 1 550 55 55 GLU HA H 4.071 0.030 1 551 55 55 GLU HB2 H 2.132 0.030 1 552 55 55 GLU HB3 H 2.132 0.030 1 553 55 55 GLU HG2 H 2.382 0.030 2 554 55 55 GLU HG3 H 2.248 0.030 2 555 55 55 GLU C C 178.356 0.300 1 556 55 55 GLU CA C 58.755 0.300 1 557 55 55 GLU CB C 29.809 0.300 1 558 55 55 GLU CG C 36.360 0.300 1 559 55 55 GLU N N 119.412 0.300 1 560 56 56 LYS H H 7.733 0.030 1 561 56 56 LYS HA H 4.157 0.030 1 562 56 56 LYS HB2 H 1.829 0.030 1 563 56 56 LYS HB3 H 1.829 0.030 1 564 56 56 LYS HD2 H 1.649 0.030 1 565 56 56 LYS HD3 H 1.649 0.030 1 566 56 56 LYS HE2 H 2.960 0.030 1 567 56 56 LYS HE3 H 2.960 0.030 1 568 56 56 LYS HG2 H 1.509 0.030 2 569 56 56 LYS HG3 H 1.441 0.030 2 570 56 56 LYS C C 177.885 0.300 1 571 56 56 LYS CA C 57.555 0.300 1 572 56 56 LYS CB C 32.464 0.300 1 573 56 56 LYS CD C 29.004 0.300 1 574 56 56 LYS CE C 42.284 0.300 1 575 56 56 LYS CG C 25.088 0.300 1 576 56 56 LYS N N 118.300 0.300 1 577 57 57 GLN H H 7.904 0.030 1 578 57 57 GLN HA H 4.188 0.030 1 579 57 57 GLN HB2 H 2.106 0.030 2 580 57 57 GLN HB3 H 1.943 0.030 2 581 57 57 GLN HE21 H 7.090 0.030 2 582 57 57 GLN HE22 H 6.761 0.030 2 583 57 57 GLN HG2 H 2.205 0.030 1 584 57 57 GLN HG3 H 2.205 0.030 1 585 57 57 GLN C C 177.055 0.300 1 586 57 57 GLN CA C 56.585 0.300 1 587 57 57 GLN CB C 28.965 0.300 1 588 57 57 GLN CG C 33.598 0.300 1 589 57 57 GLN N N 118.211 0.300 1 590 57 57 GLN NE2 N 111.990 0.300 1 591 58 58 THR H H 7.967 0.030 1 592 58 58 THR HA H 4.291 0.030 1 593 58 58 THR HB H 4.274 0.030 1 594 58 58 THR HG2 H 1.246 0.030 1 595 58 58 THR C C 175.480 0.300 1 596 58 58 THR CA C 62.874 0.300 1 597 58 58 THR CB C 69.935 0.300 1 598 58 58 THR CG2 C 21.543 0.300 1 599 58 58 THR N N 112.668 0.300 1 600 59 59 GLY H H 8.198 0.030 1 601 59 59 GLY HA2 H 3.961 0.030 1 602 59 59 GLY HA3 H 3.961 0.030 1 603 59 59 GLY C C 173.742 0.300 1 604 59 59 GLY CA C 45.503 0.300 1 605 59 59 GLY N N 110.825 0.300 1 606 60 60 ALA H H 7.941 0.030 1 607 60 60 ALA HA H 4.317 0.030 1 608 60 60 ALA HB H 1.343 0.030 1 609 60 60 ALA C C 177.296 0.300 1 610 60 60 ALA CA C 52.438 0.300 1 611 60 60 ALA CB C 19.492 0.300 1 612 60 60 ALA N N 123.329 0.300 1 613 61 61 ILE H H 8.068 0.030 1 614 61 61 ILE HA H 4.142 0.030 1 615 61 61 ILE HB H 1.827 0.030 1 616 61 61 ILE HD1 H 0.837 0.030 1 617 61 61 ILE HG12 H 1.476 0.030 2 618 61 61 ILE HG13 H 1.172 0.030 2 619 61 61 ILE HG2 H 0.865 0.030 1 620 61 61 ILE C C 176.087 0.300 1 621 61 61 ILE CA C 60.838 0.300 1 622 61 61 ILE CB C 38.649 0.300 1 623 61 61 ILE CD1 C 12.740 0.300 1 624 61 61 ILE CG1 C 27.250 0.300 1 625 61 61 ILE CG2 C 17.541 0.300 1 626 61 61 ILE N N 120.169 0.300 1 627 62 62 LEU H H 8.350 0.030 1 628 62 62 LEU HA H 4.650 0.030 1 629 62 62 LEU HB2 H 1.585 0.030 2 630 62 62 LEU HB3 H 1.531 0.030 2 631 62 62 LEU HD1 H 0.930 0.030 1 632 62 62 LEU HD2 H 0.891 0.030 1 633 62 62 LEU HG H 1.653 0.030 1 634 62 62 LEU C C 174.550 0.300 1 635 62 62 LEU CA C 52.767 0.300 1 636 62 62 LEU CB C 41.726 0.300 1 637 62 62 LEU CD1 C 25.243 0.300 2 638 62 62 LEU CD2 C 23.491 0.300 2 639 62 62 LEU CG C 27.097 0.300 1 640 62 62 LEU N N 128.519 0.300 1 641 63 63 PRO HA H 4.694 0.030 1 642 63 63 PRO HB2 H 2.350 0.030 2 643 63 63 PRO HB3 H 1.902 0.030 2 644 63 63 PRO HD2 H 3.870 0.030 2 645 63 63 PRO HD3 H 3.615 0.030 2 646 63 63 PRO HG2 H 2.032 0.030 1 647 63 63 PRO HG3 H 2.032 0.030 1 648 63 63 PRO CA C 61.379 0.300 1 649 63 63 PRO CB C 30.842 0.300 1 650 63 63 PRO CD C 50.547 0.300 1 651 63 63 PRO CG C 27.391 0.300 1 652 64 64 PRO HA H 4.455 0.030 1 653 64 64 PRO HB2 H 2.309 0.030 2 654 64 64 PRO HB3 H 1.952 0.030 2 655 64 64 PRO HD2 H 3.827 0.030 2 656 64 64 PRO HD3 H 3.646 0.030 2 657 64 64 PRO HG2 H 2.046 0.030 1 658 64 64 PRO HG3 H 2.046 0.030 1 659 64 64 PRO C C 177.087 0.300 1 660 64 64 PRO CA C 63.145 0.300 1 661 64 64 PRO CB C 32.072 0.300 1 662 64 64 PRO CD C 50.455 0.300 1 663 64 64 PRO CG C 27.384 0.300 1 664 65 65 SER H H 8.384 0.030 1 665 65 65 SER HA H 4.467 0.030 1 666 65 65 SER HB2 H 3.868 0.030 2 667 65 65 SER HB3 H 3.907 0.030 2 668 65 65 SER C C 174.679 0.300 1 669 65 65 SER CA C 58.258 0.300 1 670 65 65 SER CB C 64.141 0.300 1 671 65 65 SER N N 115.944 0.300 1 672 66 66 GLY H H 8.236 0.030 1 673 66 66 GLY HA2 H 4.154 0.030 2 674 66 66 GLY HA3 H 4.102 0.030 2 675 66 66 GLY C C 171.776 0.300 1 676 66 66 GLY CA C 44.686 0.300 1 677 66 66 GLY N N 110.629 0.300 1 678 67 67 PRO HA H 4.489 0.030 1 679 67 67 PRO HB2 H 2.298 0.030 2 680 67 67 PRO HB3 H 1.975 0.030 2 681 67 67 PRO HD2 H 3.630 0.030 1 682 67 67 PRO HD3 H 3.630 0.030 1 683 67 67 PRO HG2 H 2.029 0.030 1 684 67 67 PRO HG3 H 2.029 0.030 1 685 67 67 PRO C C 177.381 0.300 1 686 67 67 PRO CA C 63.277 0.300 1 687 67 67 PRO CB C 32.237 0.300 1 688 67 67 PRO CD C 49.801 0.300 1 689 67 67 PRO CG C 27.154 0.300 1 690 68 68 SER H H 8.530 0.030 1 691 68 68 SER HA H 4.507 0.030 1 692 68 68 SER HB2 H 3.925 0.030 1 693 68 68 SER HB3 H 3.925 0.030 1 694 68 68 SER C C 174.692 0.300 1 695 68 68 SER CA C 58.346 0.300 1 696 68 68 SER CB C 63.929 0.300 1 697 68 68 SER N N 116.389 0.300 1 698 69 69 SER H H 8.335 0.030 1 699 69 69 SER HA H 4.504 0.030 1 700 69 69 SER HB2 H 3.901 0.030 1 701 69 69 SER HB3 H 3.901 0.030 1 702 69 69 SER C C 173.935 0.300 1 703 69 69 SER CA C 58.343 0.300 1 704 69 69 SER CB C 64.081 0.300 1 705 69 69 SER N N 117.841 0.300 1 706 70 70 GLY H H 8.049 0.030 1 707 70 70 GLY HA2 H 3.787 0.030 1 708 70 70 GLY HA3 H 3.787 0.030 1 709 70 70 GLY C C 179.008 0.300 1 710 70 70 GLY CA C 46.251 0.300 1 711 70 70 GLY N N 116.857 0.300 1 stop_ save_