data_10033 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Soluiotn structure of J-domain of mouse DnaJ like protein ; _BMRB_accession_number 10033 _BMRB_flat_file_name bmr10033.str _Entry_type original _Submission_date 2006-11-01 _Accession_date 2006-11-01 _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 Kobayashi N. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Tochio N. . . 5 Tomizawa T. . . 6 Kigawa T. . . 7 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" 552 "13C chemical shifts" 401 "15N chemical shifts" 92 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-13 original author . stop_ _Original_release_date 2008-08-13 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of J-domain of mouse DnaJ like 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 Kobayashi N. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Tochio N. . . 5 Tomizawa T. . . 6 Kigawa T. . . 7 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 '1700030A21Rik protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label '1700030A21Rik protein' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein monomer' _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common J-domain _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 94 _Mol_residue_sequence ; GSSGSSGMALEQTLKKDWYS ILGADPSANMSDLKQKYQKL ILLYHPDKQSADVPAGTMEE CMQKFIEIDQAWKILGNEET KKKYDLQRSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 MET 9 ALA 10 LEU 11 GLU 12 GLN 13 THR 14 LEU 15 LYS 16 LYS 17 ASP 18 TRP 19 TYR 20 SER 21 ILE 22 LEU 23 GLY 24 ALA 25 ASP 26 PRO 27 SER 28 ALA 29 ASN 30 MET 31 SER 32 ASP 33 LEU 34 LYS 35 GLN 36 LYS 37 TYR 38 GLN 39 LYS 40 LEU 41 ILE 42 LEU 43 LEU 44 TYR 45 HIS 46 PRO 47 ASP 48 LYS 49 GLN 50 SER 51 ALA 52 ASP 53 VAL 54 PRO 55 ALA 56 GLY 57 THR 58 MET 59 GLU 60 GLU 61 CYS 62 MET 63 GLN 64 LYS 65 PHE 66 ILE 67 GLU 68 ILE 69 ASP 70 GLN 71 ALA 72 TRP 73 LYS 74 ILE 75 LEU 76 GLY 77 ASN 78 GLU 79 GLU 80 THR 81 LYS 82 LYS 83 LYS 84 TYR 85 ASP 86 LEU 87 GLN 88 ARG 89 SER 90 GLY 91 PRO 92 SER 93 SER 94 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 1WJZ "Soluiotn Structure Of J-Domain Of Mouse Dnaj Like Protein" 100.00 94 100.00 100.00 6.36e-61 DBJ BAB24631 "unnamed protein product [Mus musculus]" 86.17 148 100.00 100.00 2.77e-51 GB AAH30072 "DnaJ (Hsp40) homolog, subfamily C, member 24 [Mus musculus]" 86.17 148 100.00 100.00 2.77e-51 GB AAH91774 "DnaJ (Hsp40) homolog, subfamily C, member 24 [Mus musculus]" 86.17 148 100.00 100.00 2.77e-51 GB AAK21968 "putative DnaJ-like protein [Mus musculus]" 86.17 196 100.00 100.00 1.61e-50 GB EDL27758 "zinc finger, CSL-type containing 3, isoform CRA_c [Mus musculus]" 86.17 148 100.00 100.00 2.46e-51 REF NP_081268 "dnaJ homolog subfamily C member 24 [Mus musculus]" 86.17 148 100.00 100.00 2.77e-51 SP Q91ZF0 "RecName: Full=DnaJ homolog subfamily C member 24; AltName: Full=CSL-type zinc finger-containing protein 3; AltName: Full=Diphth" 86.17 196 100.00 100.00 1.51e-50 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 mouse 10090 Eukaryota Metazoa Mus musculus 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' . . . . plasmid P030324-95 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_1 1.07 mM '[U-13C; U-15N]' Phosphate 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _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_software_4 _Saveframe_category software _Name Kujira _Version 0.901 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _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 Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . 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_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-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 '1700030A21Rik protein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 7 7 GLY HA2 H 3.975 0.030 1 2 7 7 GLY HA3 H 3.975 0.030 1 3 7 7 GLY C C 174.246 0.300 1 4 7 7 GLY CA C 45.507 0.300 1 5 8 8 MET H H 8.138 0.030 1 6 8 8 MET HA H 4.448 0.030 1 7 8 8 MET HB2 H 1.997 0.030 2 8 8 8 MET HB3 H 2.082 0.030 2 9 8 8 MET HG2 H 2.521 0.030 2 10 8 8 MET HG3 H 2.598 0.030 2 11 8 8 MET HE H 2.094 0.030 1 12 8 8 MET C C 176.052 0.300 1 13 8 8 MET CA C 55.646 0.300 1 14 8 8 MET CB C 33.096 0.300 1 15 8 8 MET CG C 31.949 0.300 1 16 8 8 MET CE C 17.038 0.300 1 17 8 8 MET N N 120.012 0.300 1 18 9 9 ALA H H 8.331 0.030 1 19 9 9 ALA HA H 4.324 0.030 1 20 9 9 ALA HB H 1.412 0.030 1 21 9 9 ALA C C 177.999 0.300 1 22 9 9 ALA CA C 52.679 0.300 1 23 9 9 ALA CB C 19.007 0.300 1 24 9 9 ALA N N 125.249 0.300 1 25 10 10 LEU H H 8.237 0.030 1 26 10 10 LEU HA H 4.284 0.030 1 27 10 10 LEU HB2 H 1.632 0.030 1 28 10 10 LEU HB3 H 1.632 0.030 1 29 10 10 LEU HG H 1.636 0.030 1 30 10 10 LEU HD1 H 0.888 0.030 1 31 10 10 LEU HD2 H 0.930 0.030 1 32 10 10 LEU C C 177.975 0.300 1 33 10 10 LEU CA C 55.793 0.300 1 34 10 10 LEU CB C 42.256 0.300 1 35 10 10 LEU CG C 27.168 0.300 1 36 10 10 LEU CD1 C 23.803 0.300 2 37 10 10 LEU CD2 C 24.695 0.300 2 38 10 10 LEU N N 121.687 0.300 1 39 11 11 GLU H H 8.507 0.030 1 40 11 11 GLU HA H 4.217 0.030 1 41 11 11 GLU HB2 H 1.998 0.030 2 42 11 11 GLU HB3 H 2.052 0.030 2 43 11 11 GLU HG2 H 2.287 0.030 1 44 11 11 GLU HG3 H 2.287 0.030 1 45 11 11 GLU C C 177.060 0.300 1 46 11 11 GLU CA C 57.447 0.300 1 47 11 11 GLU CB C 29.901 0.300 1 48 11 11 GLU CG C 36.483 0.300 1 49 11 11 GLU N N 120.909 0.300 1 50 12 12 GLN H H 8.306 0.030 1 51 12 12 GLN HA H 4.347 0.030 1 52 12 12 GLN HB2 H 2.059 0.030 2 53 12 12 GLN HB3 H 2.167 0.030 2 54 12 12 GLN HG2 H 2.405 0.030 1 55 12 12 GLN HG3 H 2.405 0.030 1 56 12 12 GLN HE21 H 6.885 0.030 2 57 12 12 GLN HE22 H 7.570 0.030 2 58 12 12 GLN C C 176.648 0.300 1 59 12 12 GLN CA C 56.477 0.300 1 60 12 12 GLN CB C 29.325 0.300 1 61 12 12 GLN CG C 33.924 0.300 1 62 12 12 GLN N N 120.185 0.300 1 63 12 12 GLN NE2 N 112.495 0.300 1 64 13 13 THR H H 8.115 0.030 1 65 13 13 THR HA H 4.296 0.030 1 66 13 13 THR HB H 4.255 0.030 1 67 13 13 THR HG2 H 1.251 0.030 1 68 13 13 THR C C 174.723 0.300 1 69 13 13 THR CA C 62.835 0.300 1 70 13 13 THR CB C 69.688 0.300 1 71 13 13 THR CG2 C 21.892 0.300 1 72 13 13 THR N N 114.775 0.300 1 73 14 14 LEU H H 8.124 0.030 1 74 14 14 LEU HA H 4.421 0.030 1 75 14 14 LEU HB2 H 1.617 0.030 2 76 14 14 LEU HB3 H 1.713 0.030 2 77 14 14 LEU HG H 1.678 0.030 1 78 14 14 LEU HD1 H 0.926 0.030 1 79 14 14 LEU HD2 H 0.892 0.030 1 80 14 14 LEU C C 177.085 0.300 1 81 14 14 LEU CA C 55.294 0.300 1 82 14 14 LEU CB C 42.300 0.300 1 83 14 14 LEU CG C 26.852 0.300 1 84 14 14 LEU CD1 C 24.976 0.300 2 85 14 14 LEU CD2 C 23.541 0.300 2 86 14 14 LEU N N 123.269 0.300 1 87 15 15 LYS H H 8.146 0.030 1 88 15 15 LYS HA H 4.287 0.030 1 89 15 15 LYS HB2 H 1.733 0.030 2 90 15 15 LYS HB3 H 1.822 0.030 2 91 15 15 LYS HG2 H 1.382 0.030 2 92 15 15 LYS HG3 H 1.467 0.030 2 93 15 15 LYS HD2 H 1.684 0.030 1 94 15 15 LYS HD3 H 1.684 0.030 1 95 15 15 LYS HE2 H 3.001 0.030 1 96 15 15 LYS HE3 H 3.001 0.030 1 97 15 15 LYS C C 176.053 0.300 1 98 15 15 LYS CA C 56.288 0.300 1 99 15 15 LYS CB C 32.666 0.300 1 100 15 15 LYS CG C 24.860 0.300 1 101 15 15 LYS CD C 29.146 0.300 1 102 15 15 LYS CE C 42.253 0.300 1 103 15 15 LYS N N 121.751 0.300 1 104 16 16 LYS H H 7.442 0.030 1 105 16 16 LYS HA H 4.017 0.030 1 106 16 16 LYS HB2 H 0.599 0.030 2 107 16 16 LYS HB3 H 0.792 0.030 2 108 16 16 LYS HG2 H 0.925 0.030 2 109 16 16 LYS HG3 H 1.064 0.030 2 110 16 16 LYS HD2 H 1.414 0.030 1 111 16 16 LYS HD3 H 1.414 0.030 1 112 16 16 LYS HE2 H 2.789 0.030 1 113 16 16 LYS HE3 H 2.789 0.030 1 114 16 16 LYS C C 174.850 0.300 1 115 16 16 LYS CA C 55.036 0.300 1 116 16 16 LYS CB C 33.418 0.300 1 117 16 16 LYS CG C 24.935 0.300 1 118 16 16 LYS CD C 28.931 0.300 1 119 16 16 LYS CE C 42.153 0.300 1 120 16 16 LYS N N 121.187 0.300 1 121 17 17 ASP H H 8.284 0.030 1 122 17 17 ASP HA H 4.614 0.030 1 123 17 17 ASP HB2 H 2.655 0.030 2 124 17 17 ASP HB3 H 2.937 0.030 2 125 17 17 ASP C C 176.687 0.300 1 126 17 17 ASP CA C 52.047 0.300 1 127 17 17 ASP CB C 40.649 0.300 1 128 18 18 TRP H H 7.022 0.030 1 129 18 18 TRP HA H 4.513 0.030 1 130 18 18 TRP HB2 H 2.270 0.030 2 131 18 18 TRP HB3 H 3.128 0.030 2 132 18 18 TRP HD1 H 5.470 0.030 1 133 18 18 TRP HE1 H 10.198 0.030 1 134 18 18 TRP HE3 H 7.305 0.030 1 135 18 18 TRP HZ2 H 7.375 0.030 1 136 18 18 TRP HZ3 H 7.004 0.030 1 137 18 18 TRP HH2 H 7.102 0.030 1 138 18 18 TRP C C 177.643 0.300 1 139 18 18 TRP CA C 58.598 0.300 1 140 18 18 TRP CB C 31.190 0.300 1 141 18 18 TRP CD1 C 127.745 0.300 1 142 18 18 TRP CE3 C 120.210 0.300 1 143 18 18 TRP CZ2 C 114.568 0.300 1 144 18 18 TRP CZ3 C 121.657 0.300 1 145 18 18 TRP CH2 C 124.798 0.300 1 146 18 18 TRP N N 122.467 0.300 1 147 18 18 TRP NE1 N 129.974 0.300 1 148 19 19 TYR H H 7.652 0.030 1 149 19 19 TYR HA H 3.898 0.030 1 150 19 19 TYR HB2 H 3.009 0.030 2 151 19 19 TYR HB3 H 3.120 0.030 2 152 19 19 TYR HD1 H 7.161 0.030 1 153 19 19 TYR HD2 H 7.161 0.030 1 154 19 19 TYR HE1 H 6.983 0.030 1 155 19 19 TYR HE2 H 6.983 0.030 1 156 19 19 TYR C C 178.840 0.300 1 157 19 19 TYR CA C 63.489 0.300 1 158 19 19 TYR CB C 36.769 0.300 1 159 19 19 TYR CD1 C 132.948 0.300 1 160 19 19 TYR CD2 C 132.948 0.300 1 161 19 19 TYR CE1 C 118.638 0.300 1 162 19 19 TYR CE2 C 118.638 0.300 1 163 19 19 TYR N N 113.422 0.300 1 164 20 20 SER H H 7.926 0.030 1 165 20 20 SER HA H 4.323 0.030 1 166 20 20 SER HB2 H 3.975 0.030 1 167 20 20 SER HB3 H 3.975 0.030 1 168 20 20 SER C C 178.739 0.300 1 169 20 20 SER CA C 61.509 0.300 1 170 20 20 SER CB C 62.589 0.300 1 171 20 20 SER N N 115.713 0.300 1 172 21 21 ILE H H 7.781 0.030 1 173 21 21 ILE HA H 3.799 0.030 1 174 21 21 ILE HB H 2.105 0.030 1 175 21 21 ILE HG12 H 1.305 0.030 2 176 21 21 ILE HG13 H 1.643 0.030 2 177 21 21 ILE HG2 H 0.997 0.030 1 178 21 21 ILE HD1 H 0.802 0.030 1 179 21 21 ILE C C 177.033 0.300 1 180 21 21 ILE CA C 64.294 0.300 1 181 21 21 ILE CB C 37.664 0.300 1 182 21 21 ILE CG1 C 29.978 0.300 1 183 21 21 ILE CG2 C 18.632 0.300 1 184 21 21 ILE CD1 C 13.641 0.300 1 185 21 21 ILE N N 123.717 0.300 1 186 22 22 LEU H H 7.057 0.030 1 187 22 22 LEU HA H 4.431 0.030 1 188 22 22 LEU HB2 H 1.741 0.030 2 189 22 22 LEU HB3 H 1.785 0.030 2 190 22 22 LEU HG H 1.972 0.030 1 191 22 22 LEU HD1 H 1.014 0.030 1 192 22 22 LEU HD2 H 1.088 0.030 1 193 22 22 LEU C C 176.134 0.300 1 194 22 22 LEU CA C 54.378 0.300 1 195 22 22 LEU CB C 41.956 0.300 1 196 22 22 LEU CG C 26.768 0.300 1 197 22 22 LEU CD1 C 26.838 0.300 2 198 22 22 LEU CD2 C 24.118 0.300 2 199 22 22 LEU N N 115.594 0.300 1 200 23 23 GLY H H 7.990 0.030 1 201 23 23 GLY HA2 H 3.923 0.030 1 202 23 23 GLY HA3 H 3.923 0.030 1 203 23 23 GLY C C 174.360 0.300 1 204 23 23 GLY CA C 46.490 0.300 1 205 23 23 GLY N N 108.333 0.300 1 206 24 24 ALA H H 8.304 0.030 1 207 24 24 ALA HA H 4.811 0.030 1 208 24 24 ALA HB H 1.401 0.030 1 209 24 24 ALA C C 174.969 0.300 1 210 24 24 ALA CA C 49.647 0.300 1 211 24 24 ALA CB C 23.141 0.300 1 212 24 24 ALA N N 121.683 0.300 1 213 25 25 ASP H H 8.320 0.030 1 214 25 25 ASP HA H 4.809 0.030 1 215 25 25 ASP HB2 H 2.536 0.030 2 216 25 25 ASP HB3 H 2.659 0.030 2 217 25 25 ASP C C 174.366 0.300 1 218 25 25 ASP CA C 52.207 0.300 1 219 25 25 ASP CB C 42.742 0.300 1 220 25 25 ASP N N 121.434 0.300 1 221 26 26 PRO HA H 2.952 0.030 1 222 26 26 PRO HB2 H 1.610 0.030 2 223 26 26 PRO HB3 H 1.775 0.030 2 224 26 26 PRO HG2 H 1.586 0.030 2 225 26 26 PRO HG3 H 1.892 0.030 2 226 26 26 PRO HD2 H 3.500 0.030 2 227 26 26 PRO HD3 H 3.667 0.030 2 228 26 26 PRO C C 176.715 0.300 1 229 26 26 PRO CA C 63.827 0.300 1 230 26 26 PRO CB C 31.518 0.300 1 231 26 26 PRO CG C 27.663 0.300 1 232 26 26 PRO CD C 50.714 0.300 1 233 27 27 SER H H 8.243 0.030 1 234 27 27 SER HA H 4.371 0.030 1 235 27 27 SER HB2 H 3.821 0.030 2 236 27 27 SER HB3 H 3.997 0.030 2 237 27 27 SER C C 174.657 0.300 1 238 27 27 SER CA C 58.479 0.300 1 239 27 27 SER CB C 63.742 0.300 1 240 27 27 SER N N 113.273 0.300 1 241 28 28 ALA H H 7.982 0.030 1 242 28 28 ALA HA H 4.316 0.030 1 243 28 28 ALA HB H 1.667 0.030 1 244 28 28 ALA C C 177.523 0.300 1 245 28 28 ALA CA C 53.027 0.300 1 246 28 28 ALA CB C 19.967 0.300 1 247 28 28 ALA N N 126.065 0.300 1 248 29 29 ASN H H 8.711 0.030 1 249 29 29 ASN HA H 4.877 0.030 1 250 29 29 ASN HB2 H 2.996 0.030 2 251 29 29 ASN HB3 H 3.260 0.030 2 252 29 29 ASN HD21 H 6.926 0.030 2 253 29 29 ASN HD22 H 7.666 0.030 2 254 29 29 ASN C C 176.035 0.300 1 255 29 29 ASN CA C 51.784 0.300 1 256 29 29 ASN CB C 39.161 0.300 1 257 29 29 ASN N N 118.787 0.300 1 258 29 29 ASN ND2 N 113.156 0.300 1 259 30 30 MET H H 8.768 0.030 1 260 30 30 MET HA H 4.444 0.030 1 261 30 30 MET HB2 H 2.236 0.030 1 262 30 30 MET HB3 H 2.236 0.030 1 263 30 30 MET HG2 H 2.798 0.030 1 264 30 30 MET HG3 H 2.798 0.030 1 265 30 30 MET HE H 2.053 0.030 1 266 30 30 MET C C 178.755 0.300 1 267 30 30 MET CA C 58.282 0.300 1 268 30 30 MET CB C 31.277 0.300 1 269 30 30 MET CG C 31.784 0.300 1 270 30 30 MET CE C 16.110 0.300 1 271 30 30 MET N N 118.116 0.300 1 272 31 31 SER H H 8.473 0.030 1 273 31 31 SER HA H 4.291 0.030 1 274 31 31 SER HB2 H 3.984 0.030 1 275 31 31 SER HB3 H 3.984 0.030 1 276 31 31 SER C C 177.174 0.300 1 277 31 31 SER CA C 61.758 0.300 1 278 31 31 SER CB C 62.304 0.300 1 279 31 31 SER N N 115.176 0.300 1 280 32 32 ASP H H 8.178 0.030 1 281 32 32 ASP HA H 4.525 0.030 1 282 32 32 ASP HB2 H 2.772 0.030 2 283 32 32 ASP HB3 H 2.939 0.030 2 284 32 32 ASP C C 179.042 0.300 1 285 32 32 ASP CA C 57.280 0.300 1 286 32 32 ASP CB C 41.330 0.300 1 287 32 32 ASP N N 123.444 0.300 1 288 33 33 LEU H H 8.303 0.030 1 289 33 33 LEU HA H 3.958 0.030 1 290 33 33 LEU HB2 H 1.556 0.030 2 291 33 33 LEU HB3 H 2.324 0.030 2 292 33 33 LEU HG H 1.972 0.030 1 293 33 33 LEU HD1 H 1.044 0.030 1 294 33 33 LEU HD2 H 0.924 0.030 1 295 33 33 LEU C C 177.850 0.300 1 296 33 33 LEU CA C 58.440 0.300 1 297 33 33 LEU CB C 42.451 0.300 1 298 33 33 LEU CG C 26.536 0.300 1 299 33 33 LEU CD1 C 26.409 0.300 2 300 33 33 LEU CD2 C 24.253 0.300 2 301 33 33 LEU N N 119.337 0.300 1 302 34 34 LYS H H 8.460 0.030 1 303 34 34 LYS HA H 3.337 0.030 1 304 34 34 LYS HB2 H 2.018 0.030 2 305 34 34 LYS HB3 H 2.100 0.030 2 306 34 34 LYS HG2 H 1.313 0.030 2 307 34 34 LYS HG3 H 1.397 0.030 2 308 34 34 LYS HD2 H 1.817 0.030 1 309 34 34 LYS HD3 H 1.817 0.030 1 310 34 34 LYS HE2 H 3.057 0.030 1 311 34 34 LYS HE3 H 3.057 0.030 1 312 34 34 LYS C C 178.439 0.300 1 313 34 34 LYS CA C 59.792 0.300 1 314 34 34 LYS CB C 32.590 0.300 1 315 34 34 LYS CG C 25.269 0.300 1 316 34 34 LYS CD C 29.806 0.300 1 317 34 34 LYS CE C 42.335 0.300 1 318 34 34 LYS N N 118.859 0.300 1 319 35 35 GLN H H 7.744 0.030 1 320 35 35 GLN HA H 4.074 0.030 1 321 35 35 GLN HB2 H 2.264 0.030 1 322 35 35 GLN HB3 H 2.264 0.030 1 323 35 35 GLN HG2 H 2.467 0.030 2 324 35 35 GLN HG3 H 2.660 0.030 2 325 35 35 GLN HE21 H 6.903 0.030 2 326 35 35 GLN HE22 H 7.426 0.030 2 327 35 35 GLN C C 179.207 0.300 1 328 35 35 GLN CA C 59.086 0.300 1 329 35 35 GLN CB C 28.625 0.300 1 330 35 35 GLN CG C 34.340 0.300 1 331 35 35 GLN N N 117.288 0.300 1 332 35 35 GLN NE2 N 111.845 0.300 1 333 36 36 LYS H H 7.986 0.030 1 334 36 36 LYS HA H 4.063 0.030 1 335 36 36 LYS HB2 H 2.043 0.030 2 336 36 36 LYS HB3 H 2.248 0.030 2 337 36 36 LYS HG2 H 1.602 0.030 2 338 36 36 LYS HG3 H 1.724 0.030 2 339 36 36 LYS HD2 H 1.535 0.030 2 340 36 36 LYS HD3 H 1.778 0.030 2 341 36 36 LYS HE2 H 3.069 0.030 2 342 36 36 LYS HE3 H 3.147 0.030 2 343 36 36 LYS C C 179.078 0.300 1 344 36 36 LYS CA C 59.785 0.300 1 345 36 36 LYS CB C 32.436 0.300 1 346 36 36 LYS CG C 26.793 0.300 1 347 36 36 LYS CD C 28.981 0.300 1 348 36 36 LYS CE C 42.695 0.300 1 349 36 36 LYS N N 120.179 0.300 1 350 37 37 TYR H H 8.433 0.030 1 351 37 37 TYR HA H 3.935 0.030 1 352 37 37 TYR HB2 H 2.611 0.030 2 353 37 37 TYR HB3 H 2.402 0.030 2 354 37 37 TYR HD1 H 6.322 0.030 1 355 37 37 TYR HD2 H 6.322 0.030 1 356 37 37 TYR HE1 H 6.412 0.030 1 357 37 37 TYR HE2 H 6.412 0.030 1 358 37 37 TYR C C 175.827 0.300 1 359 37 37 TYR CA C 61.328 0.300 1 360 37 37 TYR CB C 37.934 0.300 1 361 37 37 TYR CD1 C 132.045 0.300 1 362 37 37 TYR CD2 C 132.045 0.300 1 363 37 37 TYR CE1 C 117.711 0.300 1 364 37 37 TYR CE2 C 117.711 0.300 1 365 37 37 TYR N N 119.870 0.300 1 366 38 38 GLN H H 8.296 0.030 1 367 38 38 GLN HA H 3.391 0.030 1 368 38 38 GLN HB2 H 1.937 0.030 2 369 38 38 GLN HB3 H 2.101 0.030 2 370 38 38 GLN HG2 H 2.313 0.030 2 371 38 38 GLN HG3 H 2.574 0.030 2 372 38 38 GLN HE21 H 6.903 0.030 2 373 38 38 GLN HE22 H 7.337 0.030 2 374 38 38 GLN C C 178.767 0.300 1 375 38 38 GLN CA C 58.818 0.300 1 376 38 38 GLN CB C 28.259 0.300 1 377 38 38 GLN CG C 34.752 0.300 1 378 38 38 GLN N N 115.975 0.300 1 379 38 38 GLN NE2 N 110.879 0.300 1 380 39 39 LYS H H 7.595 0.030 1 381 39 39 LYS HA H 4.031 0.030 1 382 39 39 LYS HB2 H 1.916 0.030 1 383 39 39 LYS HB3 H 1.916 0.030 1 384 39 39 LYS HG2 H 1.430 0.030 2 385 39 39 LYS HG3 H 1.608 0.030 2 386 39 39 LYS HD2 H 1.712 0.030 1 387 39 39 LYS HD3 H 1.712 0.030 1 388 39 39 LYS HE2 H 3.001 0.030 1 389 39 39 LYS HE3 H 3.001 0.030 1 390 39 39 LYS C C 179.136 0.300 1 391 39 39 LYS CA C 59.024 0.300 1 392 39 39 LYS CB C 32.551 0.300 1 393 39 39 LYS CG C 25.320 0.300 1 394 39 39 LYS CD C 29.229 0.300 1 395 39 39 LYS CE C 42.335 0.300 1 396 39 39 LYS N N 117.534 0.300 1 397 40 40 LEU H H 7.947 0.030 1 398 40 40 LEU HA H 4.157 0.030 1 399 40 40 LEU HB2 H 1.619 0.030 2 400 40 40 LEU HB3 H 2.035 0.030 2 401 40 40 LEU HG H 1.950 0.030 1 402 40 40 LEU HD1 H 1.051 0.030 1 403 40 40 LEU HD2 H 1.068 0.030 1 404 40 40 LEU C C 179.474 0.300 1 405 40 40 LEU CA C 57.925 0.300 1 406 40 40 LEU CB C 42.520 0.300 1 407 40 40 LEU CG C 27.321 0.300 1 408 40 40 LEU CD1 C 26.741 0.300 2 409 40 40 LEU CD2 C 23.152 0.300 2 410 40 40 LEU N N 120.309 0.300 1 411 41 41 ILE H H 8.334 0.030 1 412 41 41 ILE HA H 3.994 0.030 1 413 41 41 ILE HB H 1.679 0.030 1 414 41 41 ILE HG12 H 1.080 0.030 1 415 41 41 ILE HG13 H 1.080 0.030 1 416 41 41 ILE HG2 H 0.705 0.030 1 417 41 41 ILE HD1 H 0.650 0.030 1 418 41 41 ILE C C 177.588 0.300 1 419 41 41 ILE CA C 62.829 0.300 1 420 41 41 ILE CB C 36.974 0.300 1 421 41 41 ILE CG1 C 27.333 0.300 1 422 41 41 ILE CG2 C 18.613 0.300 1 423 41 41 ILE CD1 C 12.810 0.300 1 424 41 41 ILE N N 118.190 0.300 1 425 42 42 LEU H H 6.894 0.030 1 426 42 42 LEU HA H 4.079 0.030 1 427 42 42 LEU HB2 H 1.544 0.030 2 428 42 42 LEU HB3 H 1.780 0.030 2 429 42 42 LEU HG H 1.745 0.030 1 430 42 42 LEU HD1 H 0.906 0.030 1 431 42 42 LEU HD2 H 0.840 0.030 1 432 42 42 LEU C C 178.617 0.300 1 433 42 42 LEU CA C 57.110 0.300 1 434 42 42 LEU CB C 42.007 0.300 1 435 42 42 LEU CG C 26.801 0.300 1 436 42 42 LEU CD1 C 25.025 0.300 2 437 42 42 LEU CD2 C 23.363 0.300 2 438 42 42 LEU N N 118.544 0.300 1 439 43 43 LEU H H 7.281 0.030 1 440 43 43 LEU HA H 4.016 0.030 1 441 43 43 LEU HB2 H 1.037 0.030 2 442 43 43 LEU HB3 H 1.430 0.030 2 443 43 43 LEU HG H 1.230 0.030 1 444 43 43 LEU HD1 H 0.795 0.030 1 445 43 43 LEU HD2 H 0.681 0.030 1 446 43 43 LEU C C 178.841 0.300 1 447 43 43 LEU CA C 56.911 0.300 1 448 43 43 LEU CB C 42.754 0.300 1 449 43 43 LEU CG C 26.444 0.300 1 450 43 43 LEU CD1 C 24.407 0.300 2 451 43 43 LEU CD2 C 23.920 0.300 2 452 43 43 LEU N N 117.583 0.300 1 453 44 44 TYR H H 7.715 0.030 1 454 44 44 TYR HA H 4.668 0.030 1 455 44 44 TYR HB2 H 2.556 0.030 2 456 44 44 TYR HB3 H 3.634 0.030 2 457 44 44 TYR HD1 H 7.258 0.030 1 458 44 44 TYR HD2 H 7.258 0.030 1 459 44 44 TYR HE1 H 6.822 0.030 1 460 44 44 TYR HE2 H 6.822 0.030 1 461 44 44 TYR C C 173.968 0.300 1 462 44 44 TYR CA C 58.236 0.300 1 463 44 44 TYR CB C 39.419 0.300 1 464 44 44 TYR CD1 C 133.254 0.300 1 465 44 44 TYR CD2 C 133.254 0.300 1 466 44 44 TYR CE1 C 118.001 0.300 1 467 44 44 TYR CE2 C 118.001 0.300 1 468 44 44 TYR N N 113.697 0.300 1 469 45 45 HIS H H 7.694 0.030 1 470 45 45 HIS HA H 3.977 0.030 1 471 45 45 HIS HB2 H 2.783 0.030 2 472 45 45 HIS HB3 H 3.359 0.030 2 473 45 45 HIS HD2 H 6.910 0.030 1 474 45 45 HIS HE1 H 7.714 0.030 1 475 45 45 HIS C C 176.228 0.300 1 476 45 45 HIS CA C 56.435 0.300 1 477 45 45 HIS CB C 30.887 0.300 1 478 45 45 HIS CD2 C 118.196 0.300 1 479 45 45 HIS CE1 C 138.787 0.300 1 480 45 45 HIS N N 120.388 0.300 1 481 46 46 PRO HA H 4.175 0.030 1 482 46 46 PRO HB2 H 1.868 0.030 2 483 46 46 PRO HB3 H 2.169 0.030 2 484 46 46 PRO HG2 H 1.584 0.030 2 485 46 46 PRO HG3 H 1.656 0.030 2 486 46 46 PRO HD2 H 1.983 0.030 2 487 46 46 PRO HD3 H 2.762 0.030 2 488 46 46 PRO CA C 65.015 0.300 1 489 46 46 PRO CB C 32.246 0.300 1 490 46 46 PRO CG C 27.321 0.300 1 491 46 46 PRO CD C 50.072 0.300 1 492 47 47 ASP H H 10.355 0.030 1 493 47 47 ASP HA H 4.646 0.030 1 494 47 47 ASP HB2 H 2.622 0.030 2 495 47 47 ASP HB3 H 2.784 0.030 2 496 47 47 ASP C C 177.281 0.300 1 497 47 47 ASP CA C 55.337 0.300 1 498 47 47 ASP CB C 40.688 0.300 1 499 47 47 ASP N N 119.821 0.300 1 500 48 48 LYS H H 7.890 0.030 1 501 48 48 LYS HA H 4.432 0.030 1 502 48 48 LYS HB2 H 1.742 0.030 2 503 48 48 LYS HB3 H 2.039 0.030 2 504 48 48 LYS HG2 H 1.254 0.030 2 505 48 48 LYS HG3 H 1.317 0.030 2 506 48 48 LYS HD2 H 1.596 0.030 2 507 48 48 LYS HD3 H 1.562 0.030 2 508 48 48 LYS HE2 H 2.692 0.030 2 509 48 48 LYS HE3 H 2.857 0.030 2 510 48 48 LYS C C 176.535 0.300 1 511 48 48 LYS CA C 55.079 0.300 1 512 48 48 LYS CB C 32.388 0.300 1 513 48 48 LYS CG C 24.695 0.300 1 514 48 48 LYS CD C 28.487 0.300 1 515 48 48 LYS CE C 42.253 0.300 1 516 48 48 LYS N N 118.551 0.300 1 517 49 49 GLN H H 7.730 0.030 1 518 49 49 GLN HA H 4.349 0.030 1 519 49 49 GLN HB2 H 1.968 0.030 2 520 49 49 GLN HB3 H 2.235 0.030 2 521 49 49 GLN HG2 H 2.399 0.030 2 522 49 49 GLN HG3 H 2.507 0.030 2 523 49 49 GLN HE21 H 6.748 0.030 2 524 49 49 GLN HE22 H 7.367 0.030 2 525 49 49 GLN C C 176.070 0.300 1 526 49 49 GLN CA C 54.661 0.300 1 527 49 49 GLN CB C 29.021 0.300 1 528 49 49 GLN CG C 33.770 0.300 1 529 49 49 GLN N N 118.668 0.300 1 530 49 49 GLN NE2 N 114.169 0.300 1 531 50 50 SER H H 8.460 0.030 1 532 50 50 SER HA H 4.403 0.030 1 533 50 50 SER HB2 H 3.857 0.030 2 534 50 50 SER HB3 H 3.975 0.030 2 535 50 50 SER C C 174.756 0.300 1 536 50 50 SER CA C 58.277 0.300 1 537 50 50 SER CB C 63.905 0.300 1 538 50 50 SER N N 117.097 0.300 1 539 51 51 ALA H H 8.522 0.030 1 540 51 51 ALA HA H 4.271 0.030 1 541 51 51 ALA HB H 1.424 0.030 1 542 51 51 ALA C C 177.734 0.300 1 543 51 51 ALA CA C 53.499 0.300 1 544 51 51 ALA CB C 19.023 0.300 1 545 51 51 ALA N N 125.347 0.300 1 546 52 52 ASP H H 8.197 0.030 1 547 52 52 ASP HA H 4.595 0.030 1 548 52 52 ASP HB2 H 2.626 0.030 2 549 52 52 ASP HB3 H 2.690 0.030 2 550 52 52 ASP C C 175.891 0.300 1 551 52 52 ASP CA C 53.940 0.300 1 552 52 52 ASP CB C 40.637 0.300 1 553 52 52 ASP N N 116.412 0.300 1 554 53 53 VAL H H 7.477 0.030 1 555 53 53 VAL HA H 4.430 0.030 1 556 53 53 VAL HB H 2.187 0.030 1 557 53 53 VAL HG1 H 1.032 0.030 1 558 53 53 VAL HG2 H 1.008 0.030 1 559 53 53 VAL C C 174.073 0.300 1 560 53 53 VAL CA C 59.891 0.300 1 561 53 53 VAL CB C 32.437 0.300 1 562 53 53 VAL CG1 C 21.458 0.300 2 563 53 53 VAL CG2 C 20.403 0.300 2 564 53 53 VAL N N 119.708 0.300 1 565 54 54 PRO HA H 4.495 0.030 1 566 54 54 PRO HB2 H 2.014 0.030 2 567 54 54 PRO HB3 H 2.405 0.030 2 568 54 54 PRO HG2 H 2.024 0.030 2 569 54 54 PRO HG3 H 2.084 0.030 2 570 54 54 PRO HD2 H 3.927 0.030 2 571 54 54 PRO HD3 H 3.638 0.030 2 572 54 54 PRO C C 177.388 0.300 1 573 54 54 PRO CA C 62.962 0.300 1 574 54 54 PRO CB C 32.444 0.300 1 575 54 54 PRO CG C 27.673 0.300 1 576 54 54 PRO CD C 51.094 0.300 1 577 55 55 ALA H H 8.745 0.030 1 578 55 55 ALA HA H 4.217 0.030 1 579 55 55 ALA HB H 1.467 0.030 1 580 55 55 ALA C C 179.313 0.300 1 581 55 55 ALA CA C 54.486 0.300 1 582 55 55 ALA CB C 18.760 0.300 1 583 55 55 ALA N N 125.303 0.300 1 584 56 56 GLY H H 8.669 0.030 1 585 56 56 GLY HA2 H 3.974 0.030 2 586 56 56 GLY HA3 H 4.096 0.030 2 587 56 56 GLY C C 175.800 0.300 1 588 56 56 GLY CA C 46.163 0.300 1 589 56 56 GLY N N 106.706 0.300 1 590 57 57 THR H H 7.770 0.030 1 591 57 57 THR HA H 4.321 0.030 1 592 57 57 THR HB H 4.349 0.030 1 593 57 57 THR HG2 H 1.313 0.030 1 594 57 57 THR C C 175.968 0.300 1 595 57 57 THR CA C 64.374 0.300 1 596 57 57 THR CB C 69.651 0.300 1 597 57 57 THR CG2 C 22.057 0.300 1 598 57 57 THR N N 116.329 0.300 1 599 58 58 MET H H 8.555 0.030 1 600 58 58 MET HA H 4.338 0.030 1 601 58 58 MET HB2 H 2.149 0.030 2 602 58 58 MET HB3 H 2.175 0.030 2 603 58 58 MET HG2 H 2.638 0.030 1 604 58 58 MET HG3 H 2.638 0.030 1 605 58 58 MET HE H 2.133 0.030 1 606 58 58 MET C C 178.269 0.300 1 607 58 58 MET CA C 58.143 0.300 1 608 58 58 MET CB C 31.461 0.300 1 609 58 58 MET CG C 32.279 0.300 1 610 58 58 MET CE C 17.176 0.300 1 611 58 58 MET N N 122.676 0.300 1 612 59 59 GLU H H 8.587 0.030 1 613 59 59 GLU HA H 4.088 0.030 1 614 59 59 GLU HB2 H 2.071 0.030 2 615 59 59 GLU HB3 H 2.138 0.030 2 616 59 59 GLU HG2 H 2.361 0.030 1 617 59 59 GLU HG3 H 2.361 0.030 1 618 59 59 GLU C C 179.043 0.300 1 619 59 59 GLU CA C 59.801 0.300 1 620 59 59 GLU CB C 29.314 0.300 1 621 59 59 GLU CG C 36.565 0.300 1 622 59 59 GLU N N 119.970 0.300 1 623 60 60 GLU H H 7.830 0.030 1 624 60 60 GLU HA H 4.113 0.030 1 625 60 60 GLU HB2 H 2.168 0.030 2 626 60 60 GLU HB3 H 2.269 0.030 2 627 60 60 GLU HG2 H 2.279 0.030 2 628 60 60 GLU HG3 H 2.415 0.030 2 629 60 60 GLU C C 179.080 0.300 1 630 60 60 GLU CA C 59.298 0.300 1 631 60 60 GLU CB C 29.783 0.300 1 632 60 60 GLU CG C 36.648 0.300 1 633 60 60 GLU N N 120.393 0.300 1 634 61 61 CYS H H 8.461 0.030 1 635 61 61 CYS HA H 4.191 0.030 1 636 61 61 CYS HB2 H 3.179 0.030 2 637 61 61 CYS HB3 H 3.302 0.030 2 638 61 61 CYS C C 176.473 0.300 1 639 61 61 CYS CA C 63.732 0.300 1 640 61 61 CYS CB C 26.492 0.300 1 641 61 61 CYS N N 118.868 0.300 1 642 62 62 MET H H 8.402 0.030 1 643 62 62 MET HA H 4.378 0.030 1 644 62 62 MET HB2 H 2.249 0.030 1 645 62 62 MET HB3 H 2.249 0.030 1 646 62 62 MET HG2 H 2.725 0.030 1 647 62 62 MET HG3 H 2.725 0.030 1 648 62 62 MET HE H 2.115 0.030 1 649 62 62 MET C C 178.004 0.300 1 650 62 62 MET CA C 58.160 0.300 1 651 62 62 MET CB C 31.711 0.300 1 652 62 62 MET CG C 32.196 0.300 1 653 62 62 MET CE C 16.977 0.300 1 654 62 62 MET N N 118.529 0.300 1 655 63 63 GLN H H 7.910 0.030 1 656 63 63 GLN HA H 4.047 0.030 1 657 63 63 GLN HB2 H 2.161 0.030 2 658 63 63 GLN HB3 H 2.203 0.030 2 659 63 63 GLN HG2 H 2.455 0.030 2 660 63 63 GLN HG3 H 2.512 0.030 2 661 63 63 GLN HE21 H 6.806 0.030 2 662 63 63 GLN HE22 H 7.633 0.030 2 663 63 63 GLN C C 178.857 0.300 1 664 63 63 GLN CA C 58.857 0.300 1 665 63 63 GLN CB C 28.034 0.300 1 666 63 63 GLN CG C 33.680 0.300 1 667 63 63 GLN N N 117.793 0.300 1 668 63 63 GLN NE2 N 112.212 0.300 1 669 64 64 LYS H H 7.964 0.030 1 670 64 64 LYS HA H 4.019 0.030 1 671 64 64 LYS HB2 H 1.180 0.030 2 672 64 64 LYS HB3 H 1.589 0.030 2 673 64 64 LYS HG2 H 1.158 0.030 2 674 64 64 LYS HG3 H 1.273 0.030 2 675 64 64 LYS HD2 H 1.346 0.030 1 676 64 64 LYS HD3 H 1.346 0.030 1 677 64 64 LYS HE2 H 2.775 0.030 1 678 64 64 LYS HE3 H 2.775 0.030 1 679 64 64 LYS C C 178.629 0.300 1 680 64 64 LYS CA C 58.792 0.300 1 681 64 64 LYS CB C 31.630 0.300 1 682 64 64 LYS CG C 25.025 0.300 1 683 64 64 LYS CD C 28.569 0.300 1 684 64 64 LYS CE C 42.171 0.300 1 685 64 64 LYS N N 119.208 0.300 1 686 65 65 PHE H H 8.618 0.030 1 687 65 65 PHE HA H 4.043 0.030 1 688 65 65 PHE HB2 H 3.283 0.030 2 689 65 65 PHE HB3 H 3.410 0.030 2 690 65 65 PHE HD1 H 7.086 0.030 1 691 65 65 PHE HD2 H 7.086 0.030 1 692 65 65 PHE HE1 H 7.282 0.030 1 693 65 65 PHE HE2 H 7.282 0.030 1 694 65 65 PHE HZ H 7.171 0.030 1 695 65 65 PHE C C 176.627 0.300 1 696 65 65 PHE CA C 61.672 0.300 1 697 65 65 PHE CB C 39.129 0.300 1 698 65 65 PHE CD1 C 131.672 0.300 1 699 65 65 PHE CD2 C 131.672 0.300 1 700 65 65 PHE CE1 C 131.532 0.300 1 701 65 65 PHE CE2 C 131.532 0.300 1 702 65 65 PHE CZ C 129.804 0.300 1 703 65 65 PHE N N 119.701 0.300 1 704 66 66 ILE H H 8.148 0.030 1 705 66 66 ILE HA H 3.560 0.030 1 706 66 66 ILE HB H 1.987 0.030 1 707 66 66 ILE HG12 H 1.325 0.030 2 708 66 66 ILE HG13 H 1.863 0.030 2 709 66 66 ILE HG2 H 0.966 0.030 1 710 66 66 ILE HD1 H 0.920 0.030 1 711 66 66 ILE C C 178.915 0.300 1 712 66 66 ILE CA C 64.680 0.300 1 713 66 66 ILE CB C 37.959 0.300 1 714 66 66 ILE CG1 C 29.300 0.300 1 715 66 66 ILE CG2 C 17.194 0.300 1 716 66 66 ILE CD1 C 13.237 0.300 1 717 66 66 ILE N N 118.134 0.300 1 718 67 67 GLU H H 7.573 0.030 1 719 67 67 GLU HA H 4.268 0.030 1 720 67 67 GLU HB2 H 2.198 0.030 2 721 67 67 GLU HB3 H 2.292 0.030 2 722 67 67 GLU HG2 H 2.379 0.030 2 723 67 67 GLU HG3 H 2.600 0.030 2 724 67 67 GLU C C 178.181 0.300 1 725 67 67 GLU CA C 59.800 0.300 1 726 67 67 GLU CB C 30.003 0.300 1 727 67 67 GLU CG C 37.307 0.300 1 728 67 67 GLU N N 119.660 0.300 1 729 68 68 ILE H H 8.176 0.030 1 730 68 68 ILE HA H 3.626 0.030 1 731 68 68 ILE HB H 1.830 0.030 1 732 68 68 ILE HG12 H 1.141 0.030 2 733 68 68 ILE HG13 H 1.763 0.030 2 734 68 68 ILE HG2 H 1.001 0.030 1 735 68 68 ILE HD1 H 0.858 0.030 1 736 68 68 ILE C C 177.312 0.300 1 737 68 68 ILE CA C 65.366 0.300 1 738 68 68 ILE CB C 38.259 0.300 1 739 68 68 ILE CG1 C 29.647 0.300 1 740 68 68 ILE CG2 C 18.693 0.300 1 741 68 68 ILE CD1 C 15.983 0.300 1 742 68 68 ILE N N 120.735 0.300 1 743 69 69 ASP H H 8.115 0.030 1 744 69 69 ASP HA H 4.501 0.030 1 745 69 69 ASP HB2 H 2.275 0.030 2 746 69 69 ASP HB3 H 2.463 0.030 2 747 69 69 ASP C C 178.962 0.300 1 748 69 69 ASP CA C 57.644 0.300 1 749 69 69 ASP CB C 41.786 0.300 1 750 69 69 ASP N N 119.329 0.300 1 751 70 70 GLN H H 8.051 0.030 1 752 70 70 GLN HA H 3.604 0.030 1 753 70 70 GLN HB2 H 1.766 0.030 2 754 70 70 GLN HB3 H 2.231 0.030 2 755 70 70 GLN HG2 H 2.211 0.030 1 756 70 70 GLN HG3 H 2.211 0.030 1 757 70 70 GLN HE21 H 6.825 0.030 2 758 70 70 GLN HE22 H 6.981 0.030 2 759 70 70 GLN C C 177.547 0.300 1 760 70 70 GLN CA C 58.739 0.300 1 761 70 70 GLN CB C 28.307 0.300 1 762 70 70 GLN CG C 34.378 0.300 1 763 70 70 GLN N N 118.538 0.300 1 764 70 70 GLN NE2 N 110.889 0.300 1 765 71 71 ALA H H 8.285 0.030 1 766 71 71 ALA HA H 3.282 0.030 1 767 71 71 ALA HB H 1.777 0.030 1 768 71 71 ALA C C 179.416 0.300 1 769 71 71 ALA CA C 54.748 0.300 1 770 71 71 ALA CB C 19.377 0.300 1 771 71 71 ALA N N 120.896 0.300 1 772 72 72 TRP H H 8.132 0.030 1 773 72 72 TRP HA H 4.272 0.030 1 774 72 72 TRP HB2 H 2.765 0.030 1 775 72 72 TRP HB3 H 2.765 0.030 1 776 72 72 TRP HD1 H 6.451 0.030 1 777 72 72 TRP HE1 H 9.523 0.030 1 778 72 72 TRP HE3 H 6.861 0.030 1 779 72 72 TRP HZ2 H 7.329 0.030 1 780 72 72 TRP HZ3 H 6.622 0.030 1 781 72 72 TRP HH2 H 6.995 0.030 1 782 72 72 TRP C C 178.376 0.300 1 783 72 72 TRP CA C 57.795 0.300 1 784 72 72 TRP CB C 31.223 0.300 1 785 72 72 TRP CD1 C 126.588 0.300 1 786 72 72 TRP CE3 C 119.726 0.300 1 787 72 72 TRP CZ2 C 114.047 0.300 1 788 72 72 TRP CZ3 C 120.512 0.300 1 789 72 72 TRP CH2 C 122.975 0.300 1 790 72 72 TRP N N 117.600 0.300 1 791 72 72 TRP NE1 N 126.423 0.300 1 792 73 73 LYS H H 7.826 0.030 1 793 73 73 LYS HA H 3.493 0.030 1 794 73 73 LYS HB2 H 1.587 0.030 2 795 73 73 LYS HB3 H 1.680 0.030 2 796 73 73 LYS HG2 H 1.236 0.030 2 797 73 73 LYS HG3 H 1.432 0.030 2 798 73 73 LYS HD2 H 1.440 0.030 2 799 73 73 LYS HD3 H 1.511 0.030 2 800 73 73 LYS HE2 H 2.888 0.030 1 801 73 73 LYS HE3 H 2.888 0.030 1 802 73 73 LYS C C 177.696 0.300 1 803 73 73 LYS CA C 59.126 0.300 1 804 73 73 LYS CB C 31.872 0.300 1 805 73 73 LYS CG C 25.994 0.300 1 806 73 73 LYS CD C 28.919 0.300 1 807 73 73 LYS CE C 42.117 0.300 1 808 73 73 LYS N N 121.074 0.300 1 809 74 74 ILE H H 6.641 0.030 1 810 74 74 ILE HA H 3.603 0.030 1 811 74 74 ILE HB H 0.902 0.030 1 812 74 74 ILE HG12 H 0.661 0.030 2 813 74 74 ILE HG13 H 0.740 0.030 2 814 74 74 ILE HG2 H 0.276 0.030 1 815 74 74 ILE HD1 H 0.156 0.030 1 816 74 74 ILE C C 177.140 0.300 1 817 74 74 ILE CA C 61.503 0.300 1 818 74 74 ILE CB C 36.846 0.300 1 819 74 74 ILE CG1 C 26.758 0.300 1 820 74 74 ILE CG2 C 16.582 0.300 1 821 74 74 ILE CD1 C 10.105 0.300 1 822 74 74 ILE N N 115.892 0.300 1 823 75 75 LEU H H 8.084 0.030 1 824 75 75 LEU HA H 3.659 0.030 1 825 75 75 LEU HB2 H 1.137 0.030 2 826 75 75 LEU HB3 H 1.376 0.030 2 827 75 75 LEU HG H 1.346 0.030 1 828 75 75 LEU HD1 H 0.229 0.030 1 829 75 75 LEU HD2 H 0.438 0.030 1 830 75 75 LEU C C 175.516 0.300 1 831 75 75 LEU CA C 56.064 0.300 1 832 75 75 LEU CB C 42.132 0.300 1 833 75 75 LEU CG C 25.797 0.300 1 834 75 75 LEU CD1 C 25.445 0.300 2 835 75 75 LEU CD2 C 22.882 0.300 2 836 75 75 LEU N N 114.823 0.300 1 837 76 76 GLY H H 7.340 0.030 1 838 76 76 GLY HA2 H 1.226 0.030 2 839 76 76 GLY HA3 H 2.785 0.030 2 840 76 76 GLY C C 173.081 0.300 1 841 76 76 GLY CA C 43.696 0.300 1 842 76 76 GLY N N 123.498 0.300 1 843 77 77 ASN H H 6.311 0.030 1 844 77 77 ASN HA H 4.667 0.030 1 845 77 77 ASN HB2 H 2.497 0.030 2 846 77 77 ASN HB3 H 2.917 0.030 2 847 77 77 ASN HD21 H 6.999 0.030 2 848 77 77 ASN HD22 H 7.551 0.030 2 849 77 77 ASN C C 174.119 0.300 1 850 77 77 ASN CA C 51.303 0.300 1 851 77 77 ASN CB C 40.804 0.300 1 852 77 77 ASN N N 117.840 0.300 1 853 77 77 ASN ND2 N 114.097 0.300 1 854 78 78 GLU H H 9.034 0.030 1 855 78 78 GLU HA H 3.836 0.030 1 856 78 78 GLU HB2 H 2.032 0.030 1 857 78 78 GLU HB3 H 2.032 0.030 1 858 78 78 GLU HG2 H 2.313 0.030 2 859 78 78 GLU HG3 H 2.361 0.030 2 860 78 78 GLU C C 178.214 0.300 1 861 78 78 GLU CA C 60.430 0.300 1 862 78 78 GLU CB C 29.811 0.300 1 863 78 78 GLU CG C 36.483 0.300 1 864 78 78 GLU N N 125.067 0.300 1 865 79 79 GLU H H 8.244 0.030 1 866 79 79 GLU HA H 4.132 0.030 1 867 79 79 GLU HB2 H 2.069 0.030 2 868 79 79 GLU HB3 H 2.140 0.030 2 869 79 79 GLU HG2 H 2.250 0.030 2 870 79 79 GLU HG3 H 2.349 0.030 2 871 79 79 GLU C C 179.633 0.300 1 872 79 79 GLU CA C 59.570 0.300 1 873 79 79 GLU CB C 29.549 0.300 1 874 79 79 GLU CG C 36.400 0.300 1 875 79 79 GLU N N 117.486 0.300 1 876 80 80 THR H H 7.745 0.030 1 877 80 80 THR HA H 4.031 0.030 1 878 80 80 THR HB H 4.274 0.030 1 879 80 80 THR HG2 H 1.201 0.030 1 880 80 80 THR C C 177.736 0.300 1 881 80 80 THR CA C 65.022 0.300 1 882 80 80 THR CB C 67.354 0.300 1 883 80 80 THR CG2 C 22.982 0.300 1 884 80 80 THR N N 111.842 0.300 1 885 81 81 LYS H H 8.886 0.030 1 886 81 81 LYS HA H 3.781 0.030 1 887 81 81 LYS HB2 H 1.701 0.030 2 888 81 81 LYS HB3 H 2.123 0.030 2 889 81 81 LYS HG2 H 1.307 0.030 2 890 81 81 LYS HG3 H 1.643 0.030 2 891 81 81 LYS HD2 H 1.648 0.030 2 892 81 81 LYS HD3 H 2.248 0.030 2 893 81 81 LYS HE2 H 3.179 0.030 2 894 81 81 LYS HE3 H 3.400 0.030 2 895 81 81 LYS C C 177.763 0.300 1 896 81 81 LYS CA C 60.872 0.300 1 897 81 81 LYS CB C 32.867 0.300 1 898 81 81 LYS CG C 25.360 0.300 1 899 81 81 LYS CD C 29.036 0.300 1 900 81 81 LYS CE C 43.145 0.300 1 901 81 81 LYS N N 127.366 0.300 1 902 82 82 LYS H H 7.861 0.030 1 903 82 82 LYS HA H 4.215 0.030 1 904 82 82 LYS HB2 H 1.935 0.030 2 905 82 82 LYS HB3 H 1.998 0.030 2 906 82 82 LYS HG2 H 1.512 0.030 2 907 82 82 LYS HG3 H 1.665 0.030 2 908 82 82 LYS HD2 H 1.757 0.030 1 909 82 82 LYS HD3 H 1.757 0.030 1 910 82 82 LYS HE2 H 2.993 0.030 1 911 82 82 LYS HE3 H 2.993 0.030 1 912 82 82 LYS C C 179.353 0.300 1 913 82 82 LYS CA C 59.567 0.300 1 914 82 82 LYS CB C 32.305 0.300 1 915 82 82 LYS CG C 25.164 0.300 1 916 82 82 LYS CD C 29.394 0.300 1 917 82 82 LYS CE C 42.171 0.300 1 918 82 82 LYS N N 117.253 0.300 1 919 83 83 LYS H H 7.269 0.030 1 920 83 83 LYS HA H 4.052 0.030 1 921 83 83 LYS HB2 H 1.942 0.030 1 922 83 83 LYS HB3 H 1.942 0.030 1 923 83 83 LYS HG2 H 1.482 0.030 2 924 83 83 LYS HG3 H 1.662 0.030 2 925 83 83 LYS HD2 H 1.706 0.030 1 926 83 83 LYS HD3 H 1.706 0.030 1 927 83 83 LYS HE2 H 2.996 0.030 1 928 83 83 LYS HE3 H 2.996 0.030 1 929 83 83 LYS C C 178.799 0.300 1 930 83 83 LYS CA C 59.567 0.300 1 931 83 83 LYS CB C 32.641 0.300 1 932 83 83 LYS CG C 25.379 0.300 1 933 83 83 LYS CD C 29.476 0.300 1 934 83 83 LYS CE C 42.171 0.300 1 935 83 83 LYS N N 117.434 0.300 1 936 84 84 TYR H H 8.198 0.030 1 937 84 84 TYR HA H 4.404 0.030 1 938 84 84 TYR HB2 H 3.114 0.030 2 939 84 84 TYR HB3 H 3.179 0.030 2 940 84 84 TYR HD1 H 7.378 0.030 1 941 84 84 TYR HD2 H 7.378 0.030 1 942 84 84 TYR HE1 H 7.119 0.030 1 943 84 84 TYR HE2 H 7.119 0.030 1 944 84 84 TYR C C 177.598 0.300 1 945 84 84 TYR CA C 61.291 0.300 1 946 84 84 TYR CB C 38.490 0.300 1 947 84 84 TYR CD1 C 133.828 0.300 1 948 84 84 TYR CD2 C 133.828 0.300 1 949 84 84 TYR CE1 C 118.600 0.300 1 950 84 84 TYR CE2 C 118.600 0.300 1 951 84 84 TYR N N 121.603 0.300 1 952 85 85 ASP H H 9.268 0.030 1 953 85 85 ASP HA H 4.338 0.030 1 954 85 85 ASP HB2 H 2.663 0.030 2 955 85 85 ASP HB3 H 2.796 0.030 2 956 85 85 ASP C C 179.532 0.300 1 957 85 85 ASP CA C 57.447 0.300 1 958 85 85 ASP CB C 39.912 0.300 1 959 85 85 ASP N N 120.447 0.300 1 960 86 86 LEU H H 7.939 0.030 1 961 86 86 LEU HA H 4.202 0.030 1 962 86 86 LEU HB2 H 1.655 0.030 2 963 86 86 LEU HB3 H 1.877 0.030 2 964 86 86 LEU HG H 1.799 0.030 1 965 86 86 LEU HD1 H 0.929 0.030 1 966 86 86 LEU HD2 H 0.920 0.030 1 967 86 86 LEU C C 179.493 0.300 1 968 86 86 LEU CA C 57.456 0.300 1 969 86 86 LEU CB C 42.263 0.300 1 970 86 86 LEU CG C 27.086 0.300 1 971 86 86 LEU CD1 C 24.902 0.300 2 972 86 86 LEU CD2 C 23.766 0.300 2 973 86 86 LEU N N 120.253 0.300 1 974 87 87 GLN H H 7.780 0.030 1 975 87 87 GLN HA H 4.213 0.030 1 976 87 87 GLN HB2 H 2.180 0.030 2 977 87 87 GLN HB3 H 2.281 0.030 2 978 87 87 GLN HG2 H 2.414 0.030 2 979 87 87 GLN HG3 H 2.622 0.030 2 980 87 87 GLN HE21 H 6.914 0.030 2 981 87 87 GLN HE22 H 7.504 0.030 2 982 87 87 GLN C C 177.745 0.300 1 983 87 87 GLN CA C 57.488 0.300 1 984 87 87 GLN CB C 28.853 0.300 1 985 87 87 GLN CG C 34.092 0.300 1 986 87 87 GLN N N 118.548 0.300 1 987 87 87 GLN NE2 N 111.855 0.300 1 988 88 88 ARG H H 7.942 0.030 1 989 88 88 ARG HA H 4.128 0.030 1 990 88 88 ARG HB2 H 1.704 0.030 1 991 88 88 ARG HB3 H 1.704 0.030 1 992 88 88 ARG HG2 H 1.482 0.030 2 993 88 88 ARG HG3 H 1.554 0.030 2 994 88 88 ARG HD2 H 3.171 0.030 1 995 88 88 ARG HD3 H 3.171 0.030 1 996 88 88 ARG C C 176.910 0.300 1 997 88 88 ARG CA C 57.350 0.300 1 998 88 88 ARG CB C 30.164 0.300 1 999 88 88 ARG CG C 26.969 0.300 1 1000 88 88 ARG CD C 43.407 0.300 1 1001 88 88 ARG N N 118.928 0.300 1 1002 89 89 SER H H 7.852 0.030 1 1003 89 89 SER HA H 4.490 0.030 1 1004 89 89 SER HB2 H 3.925 0.030 1 1005 89 89 SER HB3 H 3.925 0.030 1 1006 89 89 SER C C 174.603 0.300 1 1007 89 89 SER CA C 58.814 0.300 1 1008 89 89 SER CB C 64.033 0.300 1 1009 89 89 SER N N 114.548 0.300 1 1010 90 90 GLY H H 7.926 0.030 1 1011 90 90 GLY HA2 H 4.109 0.030 2 1012 90 90 GLY HA3 H 4.199 0.030 2 1013 90 90 GLY C C 171.781 0.300 1 1014 90 90 GLY CA C 44.880 0.300 1 1015 90 90 GLY N N 110.239 0.300 1 1016 91 91 PRO HA H 4.490 0.030 1 1017 91 91 PRO HB2 H 1.976 0.030 2 1018 91 91 PRO HB3 H 2.308 0.030 2 1019 91 91 PRO HG2 H 2.022 0.030 1 1020 91 91 PRO HG3 H 2.022 0.030 1 1021 91 91 PRO HD2 H 3.653 0.030 1 1022 91 91 PRO HD3 H 3.653 0.030 1 1023 91 91 PRO C C 177.491 0.300 1 1024 91 91 PRO CA C 63.334 0.300 1 1025 91 91 PRO CB C 32.114 0.300 1 1026 91 91 PRO CG C 27.250 0.300 1 1027 91 91 PRO CD C 49.834 0.300 1 1028 92 92 SER H H 8.514 0.030 1 1029 92 92 SER HA H 4.490 0.030 1 1030 92 92 SER HB2 H 3.903 0.030 1 1031 92 92 SER HB3 H 3.903 0.030 1 1032 92 92 SER C C 174.722 0.300 1 1033 92 92 SER CA C 58.282 0.300 1 1034 92 92 SER CB C 63.887 0.300 1 1035 92 92 SER N N 116.404 0.300 1 1036 93 93 SER HA H 4.511 0.030 1 1037 93 93 SER HB2 H 3.923 0.030 1 1038 93 93 SER HB3 H 3.923 0.030 1 1039 93 93 SER C C 173.961 0.300 1 1040 93 93 SER CA C 58.426 0.300 1 1041 93 93 SER CB C 64.065 0.300 1 1042 94 94 GLY H H 8.040 0.030 1 1043 94 94 GLY C C 179.006 0.300 1 1044 94 94 GLY CA C 46.224 0.300 1 1045 94 94 GLY N N 116.844 0.300 1 stop_ save_