data_11417 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the J domain of DnaJ homolog subfamily B member 8 ; _BMRB_accession_number 11417 _BMRB_flat_file_name bmr11417.str _Entry_type original _Submission_date 2010-09-24 _Accession_date 2010-09-24 _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 Ohnishi S. . . 2 Tochio N. . . 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" 488 "13C chemical shifts" 373 "15N chemical shifts" 87 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-10-08 original author . stop_ _Original_release_date 2010-10-08 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the J domain of DnaJ homolog subfamily B member 8' _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 Ohnishi S. . . 2 Tochio N. . . 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 'DnaJ homolog subfamily B member 8' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'DnaJ 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 'DnaJ domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 92 _Mol_residue_sequence ; GSSGSSGMANYYEVLGVQAS ASPEDIKKAYRKLALRWHPD KNPDNKEEAEKKFKLVSEAY EVLSDSKKRSLYDRAGCDSW RAGGGASGPSSG ; 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 ASN 11 TYR 12 TYR 13 GLU 14 VAL 15 LEU 16 GLY 17 VAL 18 GLN 19 ALA 20 SER 21 ALA 22 SER 23 PRO 24 GLU 25 ASP 26 ILE 27 LYS 28 LYS 29 ALA 30 TYR 31 ARG 32 LYS 33 LEU 34 ALA 35 LEU 36 ARG 37 TRP 38 HIS 39 PRO 40 ASP 41 LYS 42 ASN 43 PRO 44 ASP 45 ASN 46 LYS 47 GLU 48 GLU 49 ALA 50 GLU 51 LYS 52 LYS 53 PHE 54 LYS 55 LEU 56 VAL 57 SER 58 GLU 59 ALA 60 TYR 61 GLU 62 VAL 63 LEU 64 SER 65 ASP 66 SER 67 LYS 68 LYS 69 ARG 70 SER 71 LEU 72 TYR 73 ASP 74 ARG 75 ALA 76 GLY 77 CYS 78 ASP 79 SER 80 TRP 81 ARG 82 ALA 83 GLY 84 GLY 85 GLY 86 ALA 87 SER 88 GLY 89 PRO 90 SER 91 SER 92 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2DMX "Solution Structure Of The J Domain Of Dnaj Homolog Subfamily B Member 8" 100.00 92 100.00 100.00 9.01e-58 DBJ BAE01188 "unnamed protein product [Macaca fascicularis]" 89.13 232 97.56 97.56 3.64e-49 DBJ BAG54269 "unnamed protein product [Homo sapiens]" 89.13 232 98.78 98.78 4.78e-50 DBJ BAG54285 "unnamed protein product [Homo sapiens]" 89.13 232 98.78 98.78 4.78e-50 GB AAH29521 "DnaJ (Hsp40) homolog, subfamily B, member 8 [Homo sapiens]" 89.13 232 98.78 98.78 4.78e-50 GB AAH50288 "DnaJ (Hsp40) homolog, subfamily B, member 8 [Homo sapiens]" 89.13 232 98.78 98.78 4.78e-50 GB ADQ32829 "DnaJ (Hsp40) homolog, subfamily B, member 8 [synthetic construct]" 89.13 232 98.78 98.78 4.78e-50 GB AIC53322 "DNAJB8, partial [synthetic construct]" 89.13 232 98.78 98.78 4.78e-50 GB EAW79320 "hCG2036862 [Homo sapiens]" 89.13 232 98.78 98.78 4.78e-50 REF NP_001271507 "uncharacterized protein LOC101867158 [Macaca fascicularis]" 89.13 232 97.56 97.56 3.64e-49 REF NP_699161 "dnaJ homolog subfamily B member 8 [Homo sapiens]" 89.13 232 98.78 98.78 4.78e-50 REF XP_001097989 "PREDICTED: dnaJ homolog subfamily B member 8 isoform 1 [Macaca mulatta]" 89.13 232 97.56 97.56 3.64e-49 REF XP_005979495 "PREDICTED: dnaJ homolog subfamily B member 8 [Pantholops hodgsonii]" 75.00 191 98.55 98.55 8.26e-39 REF XP_006713582 "PREDICTED: dnaJ homolog subfamily B member 8 isoform X1 [Homo sapiens]" 89.13 232 98.78 98.78 4.78e-50 SP Q8NHS0 "RecName: Full=DnaJ homolog subfamily B member 8" 89.13 232 98.78 98.78 4.78e-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 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 P050613-27 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.3mM protein U-15N, {13C;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.3 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 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20030801 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 0.965 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 Bruker _Model AVANCE _Field_strength 900 _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 296 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 'DnaJ 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 4.449 0.030 1 2 6 6 SER HB2 H 3.906 0.030 1 3 6 6 SER HB3 H 3.906 0.030 1 4 6 6 SER C C 175.076 0.300 1 5 6 6 SER CA C 58.752 0.300 1 6 6 6 SER CB C 63.905 0.300 1 7 7 7 GLY H H 8.394 0.030 1 8 7 7 GLY HA2 H 3.940 0.030 1 9 7 7 GLY HA3 H 3.940 0.030 1 10 7 7 GLY C C 173.918 0.300 1 11 7 7 GLY CA C 45.400 0.300 1 12 7 7 GLY N N 110.702 0.300 1 13 8 8 MET H H 8.101 0.030 1 14 8 8 MET HA H 4.438 0.030 1 15 8 8 MET HB2 H 2.023 0.030 2 16 8 8 MET HB3 H 1.935 0.030 2 17 8 8 MET HE H 2.070 0.030 1 18 8 8 MET HG2 H 2.547 0.030 2 19 8 8 MET HG3 H 2.507 0.030 2 20 8 8 MET C C 175.667 0.300 1 21 8 8 MET CA C 55.177 0.300 1 22 8 8 MET CB C 33.381 0.300 1 23 8 8 MET CE C 17.147 0.300 1 24 8 8 MET CG C 31.930 0.300 1 25 8 8 MET N N 119.797 0.300 1 26 9 9 ALA H H 8.234 0.030 1 27 9 9 ALA HA H 4.204 0.030 1 28 9 9 ALA HB H 1.203 0.030 1 29 9 9 ALA C C 176.581 0.300 1 30 9 9 ALA CA C 52.205 0.300 1 31 9 9 ALA CB C 19.683 0.300 1 32 9 9 ALA N N 125.304 0.300 1 33 10 10 ASN H H 8.551 0.030 1 34 10 10 ASN HA H 4.570 0.030 1 35 10 10 ASN HB2 H 2.963 0.030 1 36 10 10 ASN HB3 H 2.963 0.030 1 37 10 10 ASN HD21 H 7.717 0.030 2 38 10 10 ASN HD22 H 7.234 0.030 2 39 10 10 ASN C C 176.234 0.300 1 40 10 10 ASN CA C 52.112 0.300 1 41 10 10 ASN CB C 38.672 0.300 1 42 10 10 ASN N N 118.594 0.300 1 43 10 10 ASN ND2 N 113.708 0.300 1 44 11 11 TYR H H 8.081 0.030 1 45 11 11 TYR HA H 4.245 0.030 1 46 11 11 TYR HB2 H 1.996 0.030 2 47 11 11 TYR HB3 H 2.692 0.030 2 48 11 11 TYR HD1 H 6.078 0.030 1 49 11 11 TYR HD2 H 6.078 0.030 1 50 11 11 TYR HE1 H 6.559 0.030 1 51 11 11 TYR HE2 H 6.559 0.030 1 52 11 11 TYR C C 177.228 0.300 1 53 11 11 TYR CA C 58.163 0.300 1 54 11 11 TYR CB C 37.702 0.300 1 55 11 11 TYR CD1 C 130.160 0.300 1 56 11 11 TYR CD2 C 130.160 0.300 1 57 11 11 TYR CE1 C 118.422 0.300 1 58 11 11 TYR CE2 C 118.422 0.300 1 59 11 11 TYR N N 121.022 0.300 1 60 12 12 TYR H H 7.726 0.030 1 61 12 12 TYR HA H 3.883 0.030 1 62 12 12 TYR HB2 H 3.011 0.030 2 63 12 12 TYR HB3 H 3.183 0.030 2 64 12 12 TYR HD1 H 7.065 0.030 1 65 12 12 TYR HD2 H 7.065 0.030 1 66 12 12 TYR HE1 H 6.909 0.030 1 67 12 12 TYR HE2 H 6.909 0.030 1 68 12 12 TYR C C 178.105 0.300 1 69 12 12 TYR CA C 62.249 0.300 1 70 12 12 TYR CB C 35.850 0.300 1 71 12 12 TYR CD1 C 133.070 0.300 1 72 12 12 TYR CD2 C 133.070 0.300 1 73 12 12 TYR CE1 C 118.473 0.300 1 74 12 12 TYR CE2 C 118.473 0.300 1 75 12 12 TYR N N 116.876 0.300 1 76 13 13 GLU H H 7.620 0.030 1 77 13 13 GLU HA H 4.134 0.030 1 78 13 13 GLU HB2 H 2.154 0.030 1 79 13 13 GLU HB3 H 2.154 0.030 1 80 13 13 GLU HG2 H 2.396 0.030 2 81 13 13 GLU HG3 H 2.263 0.030 2 82 13 13 GLU C C 180.696 0.300 1 83 13 13 GLU CA C 58.998 0.300 1 84 13 13 GLU CB C 29.583 0.300 1 85 13 13 GLU CG C 36.665 0.300 1 86 13 13 GLU N N 119.758 0.300 1 87 14 14 VAL H H 8.235 0.030 1 88 14 14 VAL HA H 3.617 0.030 1 89 14 14 VAL HB H 2.221 0.030 1 90 14 14 VAL HG1 H 0.856 0.030 1 91 14 14 VAL HG2 H 1.092 0.030 1 92 14 14 VAL C C 177.523 0.300 1 93 14 14 VAL CA C 66.300 0.300 1 94 14 14 VAL CB C 31.673 0.300 1 95 14 14 VAL CG1 C 22.109 0.300 2 96 14 14 VAL CG2 C 23.140 0.300 2 97 14 14 VAL N N 120.393 0.300 1 98 15 15 LEU H H 7.063 0.030 1 99 15 15 LEU HA H 4.355 0.030 1 100 15 15 LEU HB2 H 1.634 0.030 2 101 15 15 LEU HB3 H 1.791 0.030 2 102 15 15 LEU HD1 H 0.873 0.030 1 103 15 15 LEU HD2 H 1.001 0.030 1 104 15 15 LEU HG H 1.844 0.030 1 105 15 15 LEU C C 175.763 0.300 1 106 15 15 LEU CA C 54.636 0.300 1 107 15 15 LEU CB C 42.494 0.300 1 108 15 15 LEU CD1 C 27.178 0.300 2 109 15 15 LEU CD2 C 23.646 0.300 2 110 15 15 LEU CG C 26.678 0.300 1 111 15 15 LEU N N 114.188 0.300 1 112 16 16 GLY H H 7.979 0.030 1 113 16 16 GLY HA2 H 3.968 0.030 2 114 16 16 GLY HA3 H 3.925 0.030 2 115 16 16 GLY C C 175.472 0.300 1 116 16 16 GLY CA C 46.557 0.300 1 117 16 16 GLY N N 108.672 0.300 1 118 17 17 VAL H H 8.017 0.030 1 119 17 17 VAL HA H 4.809 0.030 1 120 17 17 VAL HB H 2.437 0.030 1 121 17 17 VAL HG1 H 0.774 0.030 1 122 17 17 VAL HG2 H 0.957 0.030 1 123 17 17 VAL C C 174.772 0.300 1 124 17 17 VAL CA C 58.308 0.300 1 125 17 17 VAL CB C 34.877 0.300 1 126 17 17 VAL CG1 C 21.747 0.300 2 127 17 17 VAL CG2 C 19.145 0.300 2 128 17 17 VAL N N 110.867 0.300 1 129 18 18 GLN H H 8.361 0.030 1 130 18 18 GLN HA H 4.358 0.030 1 131 18 18 GLN HB2 H 1.802 0.030 2 132 18 18 GLN HB3 H 2.191 0.030 2 133 18 18 GLN HE21 H 7.544 0.030 2 134 18 18 GLN HE22 H 6.869 0.030 2 135 18 18 GLN HG2 H 2.382 0.030 1 136 18 18 GLN HG3 H 2.382 0.030 1 137 18 18 GLN C C 176.551 0.300 1 138 18 18 GLN CA C 54.561 0.300 1 139 18 18 GLN CB C 30.527 0.300 1 140 18 18 GLN CG C 34.185 0.300 1 141 18 18 GLN N N 117.808 0.300 1 142 18 18 GLN NE2 N 113.318 0.300 1 143 19 19 ALA H H 8.352 0.030 1 144 19 19 ALA HA H 2.452 0.030 1 145 19 19 ALA HB H 0.953 0.030 1 146 19 19 ALA C C 177.457 0.300 1 147 19 19 ALA CA C 53.644 0.300 1 148 19 19 ALA CB C 18.155 0.300 1 149 19 19 ALA N N 121.599 0.300 1 150 20 20 SER H H 7.116 0.030 1 151 20 20 SER HA H 4.271 0.030 1 152 20 20 SER HB2 H 3.667 0.030 2 153 20 20 SER HB3 H 4.113 0.030 2 154 20 20 SER C C 174.632 0.300 1 155 20 20 SER CA C 56.707 0.300 1 156 20 20 SER CB C 63.146 0.300 1 157 20 20 SER N N 106.905 0.300 1 158 21 21 ALA H H 7.729 0.030 1 159 21 21 ALA HA H 4.304 0.030 1 160 21 21 ALA HB H 1.659 0.030 1 161 21 21 ALA C C 177.774 0.300 1 162 21 21 ALA CA C 52.987 0.300 1 163 21 21 ALA CB C 19.567 0.300 1 164 21 21 ALA N N 124.674 0.300 1 165 22 22 SER H H 9.362 0.030 1 166 22 22 SER HA H 4.902 0.030 1 167 22 22 SER HB2 H 4.517 0.030 2 168 22 22 SER HB3 H 4.116 0.030 2 169 22 22 SER C C 173.434 0.300 1 170 22 22 SER CA C 56.428 0.300 1 171 22 22 SER CB C 63.285 0.300 1 172 22 22 SER N N 120.054 0.300 1 173 23 23 PRO HA H 4.261 0.030 1 174 23 23 PRO HB2 H 2.513 0.030 1 175 23 23 PRO HB3 H 2.513 0.030 1 176 23 23 PRO HD2 H 4.013 0.030 1 177 23 23 PRO HD3 H 4.013 0.030 1 178 23 23 PRO HG2 H 2.291 0.030 2 179 23 23 PRO HG3 H 2.049 0.030 2 180 23 23 PRO C C 179.871 0.300 1 181 23 23 PRO CA C 66.015 0.300 1 182 23 23 PRO CB C 31.949 0.300 1 183 23 23 PRO CD C 50.253 0.300 1 184 23 23 PRO CG C 28.310 0.300 1 185 24 24 GLU H H 8.461 0.030 1 186 24 24 GLU HA H 4.111 0.030 1 187 24 24 GLU HB2 H 1.976 0.030 2 188 24 24 GLU HB3 H 2.097 0.030 2 189 24 24 GLU HG2 H 2.429 0.030 2 190 24 24 GLU HG3 H 2.326 0.030 2 191 24 24 GLU C C 178.675 0.300 1 192 24 24 GLU CA C 59.896 0.300 1 193 24 24 GLU CB C 29.246 0.300 1 194 24 24 GLU CG C 36.704 0.300 1 195 24 24 GLU N N 117.803 0.300 1 196 25 25 ASP H H 8.124 0.030 1 197 25 25 ASP HA H 4.453 0.030 1 198 25 25 ASP HB2 H 2.646 0.030 2 199 25 25 ASP HB3 H 3.233 0.030 2 200 25 25 ASP C C 180.170 0.300 1 201 25 25 ASP CA C 57.589 0.300 1 202 25 25 ASP CB C 40.651 0.300 1 203 25 25 ASP N N 122.224 0.300 1 204 26 26 ILE H H 8.067 0.030 1 205 26 26 ILE HA H 3.630 0.030 1 206 26 26 ILE HB H 2.038 0.030 1 207 26 26 ILE HD1 H 0.798 0.030 1 208 26 26 ILE HG12 H 1.037 0.030 2 209 26 26 ILE HG13 H 1.704 0.030 2 210 26 26 ILE HG2 H 0.823 0.030 1 211 26 26 ILE C C 176.816 0.300 1 212 26 26 ILE CA C 65.643 0.300 1 213 26 26 ILE CB C 37.984 0.300 1 214 26 26 ILE CD1 C 13.440 0.300 1 215 26 26 ILE CG1 C 30.796 0.300 1 216 26 26 ILE CG2 C 17.196 0.300 1 217 26 26 ILE N N 122.053 0.300 1 218 27 27 LYS H H 8.046 0.030 1 219 27 27 LYS HA H 4.180 0.030 1 220 27 27 LYS HB2 H 2.083 0.030 1 221 27 27 LYS HB3 H 2.083 0.030 1 222 27 27 LYS HD2 H 1.799 0.030 1 223 27 27 LYS HD3 H 1.799 0.030 1 224 27 27 LYS HE2 H 2.996 0.030 1 225 27 27 LYS HE3 H 2.996 0.030 1 226 27 27 LYS HG2 H 1.679 0.030 2 227 27 27 LYS HG3 H 1.609 0.030 2 228 27 27 LYS C C 178.597 0.300 1 229 27 27 LYS CA C 60.784 0.300 1 230 27 27 LYS CB C 32.619 0.300 1 231 27 27 LYS CD C 29.795 0.300 1 232 27 27 LYS CE C 42.103 0.300 1 233 27 27 LYS CG C 25.379 0.300 1 234 27 27 LYS N N 120.366 0.300 1 235 28 28 LYS H H 8.321 0.030 1 236 28 28 LYS HA H 3.946 0.030 1 237 28 28 LYS HB2 H 1.926 0.030 1 238 28 28 LYS HB3 H 1.926 0.030 1 239 28 28 LYS HD2 H 1.750 0.030 1 240 28 28 LYS HD3 H 1.750 0.030 1 241 28 28 LYS HE2 H 2.997 0.030 1 242 28 28 LYS HE3 H 2.997 0.030 1 243 28 28 LYS HG2 H 1.712 0.030 2 244 28 28 LYS HG3 H 1.460 0.030 2 245 28 28 LYS C C 179.274 0.300 1 246 28 28 LYS CA C 60.115 0.300 1 247 28 28 LYS CB C 32.899 0.300 1 248 28 28 LYS CD C 29.676 0.300 1 249 28 28 LYS CE C 42.116 0.300 1 250 28 28 LYS CG C 25.804 0.300 1 251 28 28 LYS N N 118.546 0.300 1 252 29 29 ALA H H 7.910 0.030 1 253 29 29 ALA HA H 4.191 0.030 1 254 29 29 ALA HB H 1.692 0.030 1 255 29 29 ALA C C 180.048 0.300 1 256 29 29 ALA CA C 55.196 0.300 1 257 29 29 ALA CB C 19.061 0.300 1 258 29 29 ALA N N 122.473 0.300 1 259 30 30 TYR H H 8.394 0.030 1 260 30 30 TYR HA H 3.929 0.030 1 261 30 30 TYR HB2 H 2.641 0.030 2 262 30 30 TYR HB3 H 2.735 0.030 2 263 30 30 TYR HD1 H 6.358 0.030 1 264 30 30 TYR HD2 H 6.358 0.030 1 265 30 30 TYR HE1 H 6.307 0.030 1 266 30 30 TYR HE2 H 6.307 0.030 1 267 30 30 TYR C C 175.941 0.300 1 268 30 30 TYR CA C 61.192 0.300 1 269 30 30 TYR CB C 39.038 0.300 1 270 30 30 TYR CD1 C 132.619 0.300 1 271 30 30 TYR CD2 C 132.619 0.300 1 272 30 30 TYR CE1 C 116.989 0.300 1 273 30 30 TYR CE2 C 116.989 0.300 1 274 30 30 TYR N N 117.534 0.300 1 275 31 31 ARG H H 8.280 0.030 1 276 31 31 ARG HA H 3.386 0.030 1 277 31 31 ARG HB2 H 1.853 0.030 2 278 31 31 ARG HB3 H 1.785 0.030 2 279 31 31 ARG HD2 H 3.157 0.030 2 280 31 31 ARG HG2 H 1.599 0.030 2 281 31 31 ARG HG3 H 1.840 0.030 2 282 31 31 ARG C C 179.110 0.300 1 283 31 31 ARG CA C 59.495 0.300 1 284 31 31 ARG CB C 29.671 0.300 1 285 31 31 ARG CD C 43.456 0.300 1 286 31 31 ARG CG C 27.635 0.300 1 287 31 31 ARG N N 117.729 0.300 1 288 32 32 LYS H H 7.455 0.030 1 289 32 32 LYS HA H 3.989 0.030 1 290 32 32 LYS HB2 H 1.938 0.030 1 291 32 32 LYS HB3 H 1.938 0.030 1 292 32 32 LYS HD2 H 1.699 0.030 2 293 32 32 LYS HD3 H 1.568 0.030 2 294 32 32 LYS HE2 H 2.958 0.030 2 295 32 32 LYS HG2 H 1.328 0.030 2 296 32 32 LYS C C 179.666 0.300 1 297 32 32 LYS CA C 59.492 0.300 1 298 32 32 LYS CB C 32.625 0.300 1 299 32 32 LYS CD C 29.530 0.300 1 300 32 32 LYS CE C 42.138 0.300 1 301 32 32 LYS CG C 24.998 0.300 1 302 32 32 LYS N N 117.133 0.300 1 303 33 33 LEU H H 7.993 0.030 1 304 33 33 LEU HA H 4.159 0.030 1 305 33 33 LEU HB2 H 1.531 0.030 2 306 33 33 LEU HB3 H 1.969 0.030 2 307 33 33 LEU HD1 H 1.113 0.030 1 308 33 33 LEU HD2 H 1.074 0.030 1 309 33 33 LEU HG H 1.903 0.030 1 310 33 33 LEU C C 178.416 0.300 1 311 33 33 LEU CA C 57.625 0.300 1 312 33 33 LEU CB C 43.336 0.300 1 313 33 33 LEU CD1 C 27.242 0.300 2 314 33 33 LEU CD2 C 23.421 0.300 2 315 33 33 LEU CG C 27.922 0.300 1 316 33 33 LEU N N 121.493 0.300 1 317 34 34 ALA H H 9.127 0.030 1 318 34 34 ALA HA H 3.932 0.030 1 319 34 34 ALA HB H 0.933 0.030 1 320 34 34 ALA C C 179.784 0.300 1 321 34 34 ALA CA C 54.978 0.300 1 322 34 34 ALA CB C 17.106 0.300 1 323 34 34 ALA N N 123.150 0.300 1 324 35 35 LEU H H 7.122 0.030 1 325 35 35 LEU HA H 4.104 0.030 1 326 35 35 LEU HB2 H 1.555 0.030 2 327 35 35 LEU HB3 H 1.688 0.030 2 328 35 35 LEU HD1 H 0.837 0.030 1 329 35 35 LEU HD2 H 0.826 0.030 1 330 35 35 LEU HG H 1.629 0.030 1 331 35 35 LEU C C 178.690 0.300 1 332 35 35 LEU CA C 57.213 0.300 1 333 35 35 LEU CB C 42.132 0.300 1 334 35 35 LEU CD1 C 24.447 0.300 2 335 35 35 LEU CD2 C 24.041 0.300 2 336 35 35 LEU CG C 26.940 0.300 1 337 35 35 LEU N N 115.989 0.300 1 338 36 36 ARG H H 7.322 0.030 1 339 36 36 ARG HA H 3.888 0.030 1 340 36 36 ARG HB2 H 1.546 0.030 2 341 36 36 ARG HB3 H 1.701 0.030 2 342 36 36 ARG HD2 H 2.633 0.030 2 343 36 36 ARG HD3 H 2.391 0.030 2 344 36 36 ARG HG2 H 0.343 0.030 2 345 36 36 ARG HG3 H 0.737 0.030 2 346 36 36 ARG C C 178.894 0.300 1 347 36 36 ARG CA C 57.962 0.300 1 348 36 36 ARG CB C 30.170 0.300 1 349 36 36 ARG CD C 42.203 0.300 1 350 36 36 ARG CG C 25.897 0.300 1 351 36 36 ARG N N 117.547 0.300 1 352 37 37 TRP H H 8.187 0.030 1 353 37 37 TRP HA H 4.989 0.030 1 354 37 37 TRP HB2 H 2.908 0.030 2 355 37 37 TRP HB3 H 3.936 0.030 2 356 37 37 TRP HD1 H 7.064 0.030 1 357 37 37 TRP HE1 H 10.324 0.030 1 358 37 37 TRP HE3 H 7.486 0.030 1 359 37 37 TRP HH2 H 7.190 0.030 1 360 37 37 TRP HZ2 H 7.433 0.030 1 361 37 37 TRP HZ3 H 6.941 0.030 1 362 37 37 TRP C C 173.274 0.300 1 363 37 37 TRP CA C 56.295 0.300 1 364 37 37 TRP CB C 29.975 0.300 1 365 37 37 TRP CD1 C 126.241 0.300 1 366 37 37 TRP CE3 C 120.337 0.300 1 367 37 37 TRP CH2 C 124.850 0.300 1 368 37 37 TRP CZ2 C 114.771 0.300 1 369 37 37 TRP CZ3 C 121.389 0.300 1 370 37 37 TRP N N 115.408 0.300 1 371 37 37 TRP NE1 N 127.247 0.300 1 372 38 38 HIS H H 7.207 0.030 1 373 38 38 HIS HA H 3.673 0.030 1 374 38 38 HIS HB2 H 3.330 0.030 2 375 38 38 HIS HB3 H 2.607 0.030 2 376 38 38 HIS HD2 H 6.823 0.030 1 377 38 38 HIS HE1 H 7.597 0.030 1 378 38 38 HIS C C 177.385 0.300 1 379 38 38 HIS CA C 57.292 0.300 1 380 38 38 HIS CB C 30.847 0.300 1 381 38 38 HIS CD2 C 118.106 0.300 1 382 38 38 HIS CE1 C 138.996 0.300 1 383 38 38 HIS N N 120.889 0.300 1 384 39 39 PRO HA H 4.028 0.030 1 385 39 39 PRO HB2 H 1.927 0.030 2 386 39 39 PRO HB3 H 2.197 0.030 2 387 39 39 PRO HD2 H 1.933 0.030 2 388 39 39 PRO HD3 H 3.005 0.030 2 389 39 39 PRO HG2 H 1.809 0.030 2 390 39 39 PRO HG3 H 1.642 0.030 2 391 39 39 PRO C C 179.057 0.300 1 392 39 39 PRO CA C 66.406 0.300 1 393 39 39 PRO CB C 32.078 0.300 1 394 39 39 PRO CD C 50.080 0.300 1 395 39 39 PRO CG C 27.645 0.300 1 396 40 40 ASP H H 10.823 0.030 1 397 40 40 ASP HA H 4.431 0.030 1 398 40 40 ASP HB2 H 2.683 0.030 1 399 40 40 ASP HB3 H 2.683 0.030 1 400 40 40 ASP C C 178.196 0.300 1 401 40 40 ASP CA C 56.846 0.300 1 402 40 40 ASP CB C 39.971 0.300 1 403 40 40 ASP N N 120.518 0.300 1 404 41 41 LYS H H 7.852 0.030 1 405 41 41 LYS HA H 4.419 0.030 1 406 41 41 LYS HB2 H 1.782 0.030 2 407 41 41 LYS HB3 H 2.091 0.030 2 408 41 41 LYS HD2 H 1.615 0.030 1 409 41 41 LYS HD3 H 1.615 0.030 1 410 41 41 LYS HE2 H 2.815 0.030 2 411 41 41 LYS HE3 H 2.906 0.030 2 412 41 41 LYS HG2 H 1.551 0.030 2 413 41 41 LYS HG3 H 1.324 0.030 2 414 41 41 LYS C C 175.670 0.300 1 415 41 41 LYS CA C 54.354 0.300 1 416 41 41 LYS CB C 32.540 0.300 1 417 41 41 LYS CD C 28.047 0.300 1 418 41 41 LYS CE C 42.197 0.300 1 419 41 41 LYS CG C 24.612 0.300 1 420 41 41 LYS N N 116.400 0.300 1 421 42 42 ASN H H 7.548 0.030 1 422 42 42 ASN HA H 5.246 0.030 1 423 42 42 ASN HB2 H 2.751 0.030 2 424 42 42 ASN HB3 H 2.131 0.030 2 425 42 42 ASN HD21 H 7.268 0.030 2 426 42 42 ASN HD22 H 7.481 0.030 2 427 42 42 ASN C C 172.323 0.300 1 428 42 42 ASN CA C 52.472 0.300 1 429 42 42 ASN CB C 42.507 0.300 1 430 42 42 ASN N N 118.789 0.300 1 431 42 42 ASN ND2 N 116.223 0.300 1 432 43 43 PRO HA H 4.329 0.030 1 433 43 43 PRO HB2 H 2.010 0.030 2 434 43 43 PRO HB3 H 2.265 0.030 2 435 43 43 PRO HD2 H 3.275 0.030 2 436 43 43 PRO HD3 H 3.636 0.030 2 437 43 43 PRO HG2 H 1.902 0.030 2 438 43 43 PRO HG3 H 2.011 0.030 2 439 43 43 PRO C C 177.793 0.300 1 440 43 43 PRO CA C 65.311 0.300 1 441 43 43 PRO CB C 31.510 0.300 1 442 43 43 PRO CD C 50.686 0.300 1 443 43 43 PRO CG C 27.517 0.300 1 444 44 44 ASP H H 8.539 0.030 1 445 44 44 ASP HA H 4.790 0.030 1 446 44 44 ASP HB2 H 2.646 0.030 2 447 44 44 ASP HB3 H 2.796 0.030 2 448 44 44 ASP C C 175.729 0.300 1 449 44 44 ASP CA C 54.429 0.300 1 450 44 44 ASP CB C 40.907 0.300 1 451 44 44 ASP N N 116.706 0.300 1 452 45 45 ASN H H 7.863 0.030 1 453 45 45 ASN HA H 5.058 0.030 1 454 45 45 ASN HB2 H 2.630 0.030 2 455 45 45 ASN HB3 H 2.876 0.030 2 456 45 45 ASN HD21 H 7.352 0.030 2 457 45 45 ASN HD22 H 7.899 0.030 2 458 45 45 ASN C C 175.246 0.300 1 459 45 45 ASN CA C 52.395 0.300 1 460 45 45 ASN CB C 38.738 0.300 1 461 45 45 ASN N N 120.494 0.300 1 462 45 45 ASN ND2 N 112.324 0.300 1 463 46 46 LYS H H 8.249 0.030 1 464 46 46 LYS HA H 3.945 0.030 1 465 46 46 LYS HB2 H 1.888 0.030 2 466 46 46 LYS HB3 H 1.817 0.030 2 467 46 46 LYS HD2 H 1.712 0.030 2 468 46 46 LYS HE2 H 2.975 0.030 2 469 46 46 LYS HG2 H 1.464 0.030 2 470 46 46 LYS HG3 H 1.548 0.030 2 471 46 46 LYS C C 178.519 0.300 1 472 46 46 LYS CA C 61.045 0.300 1 473 46 46 LYS CB C 33.258 0.300 1 474 46 46 LYS CD C 29.613 0.300 1 475 46 46 LYS CE C 42.023 0.300 1 476 46 46 LYS CG C 25.229 0.300 1 477 46 46 LYS N N 121.786 0.300 1 478 47 47 GLU H H 8.622 0.030 1 479 47 47 GLU HA H 4.091 0.030 1 480 47 47 GLU HB2 H 2.104 0.030 2 481 47 47 GLU HB3 H 1.999 0.030 2 482 47 47 GLU HG2 H 2.318 0.030 1 483 47 47 GLU HG3 H 2.318 0.030 1 484 47 47 GLU C C 179.548 0.300 1 485 47 47 GLU CA C 60.180 0.300 1 486 47 47 GLU CB C 29.025 0.300 1 487 47 47 GLU CG C 36.947 0.300 1 488 47 47 GLU N N 119.064 0.300 1 489 48 48 GLU H H 8.291 0.030 1 490 48 48 GLU HA H 3.989 0.030 1 491 48 48 GLU HB2 H 2.026 0.030 2 492 48 48 GLU HB3 H 1.984 0.030 2 493 48 48 GLU HG2 H 2.177 0.030 2 494 48 48 GLU HG3 H 2.115 0.030 2 495 48 48 GLU C C 178.708 0.300 1 496 48 48 GLU CA C 58.895 0.300 1 497 48 48 GLU CB C 29.518 0.300 1 498 48 48 GLU CG C 36.261 0.300 1 499 48 48 GLU N N 120.233 0.300 1 500 49 49 ALA H H 8.118 0.030 1 501 49 49 ALA HA H 4.283 0.030 1 502 49 49 ALA HB H 1.744 0.030 1 503 49 49 ALA C C 178.554 0.300 1 504 49 49 ALA CA C 55.789 0.300 1 505 49 49 ALA CB C 18.140 0.300 1 506 49 49 ALA N N 120.737 0.300 1 507 50 50 GLU H H 8.656 0.030 1 508 50 50 GLU HA H 3.975 0.030 1 509 50 50 GLU HB2 H 2.091 0.030 2 510 50 50 GLU HB3 H 2.220 0.030 2 511 50 50 GLU HG2 H 2.249 0.030 2 512 50 50 GLU HG3 H 2.455 0.030 2 513 50 50 GLU C C 179.384 0.300 1 514 50 50 GLU CA C 60.142 0.300 1 515 50 50 GLU CB C 29.662 0.300 1 516 50 50 GLU CG C 36.780 0.300 1 517 50 50 GLU N N 117.114 0.300 1 518 51 51 LYS H H 7.471 0.030 1 519 51 51 LYS HA H 3.974 0.030 1 520 51 51 LYS HB2 H 1.854 0.030 2 521 51 51 LYS HB3 H 1.920 0.030 2 522 51 51 LYS HD2 H 1.651 0.030 1 523 51 51 LYS HD3 H 1.651 0.030 1 524 51 51 LYS HE2 H 2.912 0.030 1 525 51 51 LYS HE3 H 2.912 0.030 1 526 51 51 LYS HG2 H 1.384 0.030 2 527 51 51 LYS HG3 H 1.642 0.030 2 528 51 51 LYS C C 179.819 0.300 1 529 51 51 LYS CA C 59.727 0.300 1 530 51 51 LYS CB C 32.607 0.300 1 531 51 51 LYS CD C 29.448 0.300 1 532 51 51 LYS CE C 42.101 0.300 1 533 51 51 LYS CG C 25.083 0.300 1 534 51 51 LYS N N 118.614 0.300 1 535 52 52 LYS H H 8.032 0.030 1 536 52 52 LYS HA H 3.730 0.030 1 537 52 52 LYS HB2 H 1.154 0.030 2 538 52 52 LYS HB3 H 0.568 0.030 2 539 52 52 LYS HD2 H 0.744 0.030 2 540 52 52 LYS HD3 H 0.553 0.030 2 541 52 52 LYS HE2 H 2.478 0.030 2 542 52 52 LYS HG2 H 0.591 0.030 2 543 52 52 LYS HG3 H 0.356 0.030 2 544 52 52 LYS C C 178.693 0.300 1 545 52 52 LYS CA C 58.846 0.300 1 546 52 52 LYS CB C 31.544 0.300 1 547 52 52 LYS CD C 27.860 0.300 1 548 52 52 LYS CE C 41.965 0.300 1 549 52 52 LYS CG C 24.419 0.300 1 550 52 52 LYS N N 120.274 0.300 1 551 53 53 PHE H H 9.445 0.030 1 552 53 53 PHE HA H 3.945 0.030 1 553 53 53 PHE HB2 H 3.510 0.030 2 554 53 53 PHE HB3 H 3.024 0.030 2 555 53 53 PHE HD1 H 7.097 0.030 1 556 53 53 PHE HD2 H 7.097 0.030 1 557 53 53 PHE HE1 H 7.340 0.030 1 558 53 53 PHE HE2 H 7.340 0.030 1 559 53 53 PHE HZ H 7.354 0.030 1 560 53 53 PHE C C 178.607 0.300 1 561 53 53 PHE CA C 61.915 0.300 1 562 53 53 PHE CB C 39.275 0.300 1 563 53 53 PHE CD1 C 131.264 0.300 1 564 53 53 PHE CD2 C 131.264 0.300 1 565 53 53 PHE CE1 C 131.484 0.300 1 566 53 53 PHE CE2 C 131.484 0.300 1 567 53 53 PHE CZ C 130.167 0.300 1 568 53 53 PHE N N 120.224 0.300 1 569 54 54 LYS H H 8.187 0.030 1 570 54 54 LYS HA H 3.968 0.030 1 571 54 54 LYS HB2 H 1.988 0.030 2 572 54 54 LYS HB3 H 1.924 0.030 2 573 54 54 LYS HD2 H 1.702 0.030 2 574 54 54 LYS HE2 H 3.001 0.030 2 575 54 54 LYS HG2 H 1.466 0.030 2 576 54 54 LYS C C 178.721 0.300 1 577 54 54 LYS CA C 59.935 0.300 1 578 54 54 LYS CB C 32.437 0.300 1 579 54 54 LYS CD C 29.613 0.300 1 580 54 54 LYS CE C 42.220 0.300 1 581 54 54 LYS CG C 25.410 0.300 1 582 54 54 LYS N N 120.696 0.300 1 583 55 55 LEU H H 7.387 0.030 1 584 55 55 LEU HA H 4.213 0.030 1 585 55 55 LEU HB2 H 1.732 0.030 2 586 55 55 LEU HB3 H 1.701 0.030 2 587 55 55 LEU HD1 H 0.953 0.030 1 588 55 55 LEU HD2 H 0.901 0.030 1 589 55 55 LEU HG H 1.702 0.030 1 590 55 55 LEU C C 178.969 0.300 1 591 55 55 LEU CA C 57.938 0.300 1 592 55 55 LEU CB C 41.864 0.300 1 593 55 55 LEU CD1 C 23.751 0.300 2 594 55 55 LEU CD2 C 24.900 0.300 2 595 55 55 LEU CG C 27.141 0.300 1 596 55 55 LEU N N 120.869 0.300 1 597 56 56 VAL H H 8.252 0.030 1 598 56 56 VAL HA H 3.479 0.030 1 599 56 56 VAL HB H 2.113 0.030 1 600 56 56 VAL HG1 H 0.950 0.030 1 601 56 56 VAL HG2 H 1.021 0.030 1 602 56 56 VAL C C 177.576 0.300 1 603 56 56 VAL CA C 66.265 0.300 1 604 56 56 VAL CB C 31.913 0.300 1 605 56 56 VAL CG1 C 21.950 0.300 2 606 56 56 VAL CG2 C 23.308 0.300 2 607 56 56 VAL N N 118.732 0.300 1 608 57 57 SER H H 7.993 0.030 1 609 57 57 SER HA H 4.040 0.030 1 610 57 57 SER HB2 H 3.885 0.030 2 611 57 57 SER HB3 H 3.732 0.030 2 612 57 57 SER C C 175.623 0.300 1 613 57 57 SER CA C 62.603 0.300 1 614 57 57 SER CB C 62.567 0.300 1 615 57 57 SER N N 115.114 0.300 1 616 58 58 GLU H H 8.089 0.030 1 617 58 58 GLU HA H 3.784 0.030 1 618 58 58 GLU HB2 H 1.957 0.030 2 619 58 58 GLU HB3 H 2.154 0.030 2 620 58 58 GLU HG2 H 2.306 0.030 2 621 58 58 GLU HG3 H 1.960 0.030 2 622 58 58 GLU C C 177.592 0.300 1 623 58 58 GLU CA C 59.206 0.300 1 624 58 58 GLU CB C 29.691 0.300 1 625 58 58 GLU CG C 35.958 0.300 1 626 58 58 GLU N N 124.255 0.300 1 627 59 59 ALA H H 7.923 0.030 1 628 59 59 ALA HA H 2.559 0.030 1 629 59 59 ALA HB H 1.282 0.030 1 630 59 59 ALA C C 178.794 0.300 1 631 59 59 ALA CA C 53.926 0.300 1 632 59 59 ALA CB C 18.662 0.300 1 633 59 59 ALA N N 119.558 0.300 1 634 60 60 TYR H H 8.094 0.030 1 635 60 60 TYR HA H 3.631 0.030 1 636 60 60 TYR HB2 H 2.393 0.030 2 637 60 60 TYR HB3 H 2.632 0.030 2 638 60 60 TYR HD1 H 6.348 0.030 1 639 60 60 TYR HD2 H 6.348 0.030 1 640 60 60 TYR HE1 H 6.401 0.030 1 641 60 60 TYR HE2 H 6.401 0.030 1 642 60 60 TYR C C 177.521 0.300 1 643 60 60 TYR CA C 61.238 0.300 1 644 60 60 TYR CB C 39.482 0.300 1 645 60 60 TYR CD1 C 131.923 0.300 1 646 60 60 TYR CD2 C 131.923 0.300 1 647 60 60 TYR CE1 C 117.969 0.300 1 648 60 60 TYR CE2 C 117.969 0.300 1 649 60 60 TYR N N 116.297 0.300 1 650 61 61 GLU H H 8.160 0.030 1 651 61 61 GLU HA H 3.331 0.030 1 652 61 61 GLU HB2 H 1.916 0.030 1 653 61 61 GLU HB3 H 1.916 0.030 1 654 61 61 GLU HG2 H 2.086 0.030 2 655 61 61 GLU HG3 H 2.237 0.030 2 656 61 61 GLU C C 177.476 0.300 1 657 61 61 GLU CA C 59.491 0.300 1 658 61 61 GLU CB C 28.949 0.300 1 659 61 61 GLU CG C 36.205 0.300 1 660 61 61 GLU N N 121.702 0.300 1 661 62 62 VAL H H 6.715 0.030 1 662 62 62 VAL HA H 3.432 0.030 1 663 62 62 VAL HB H 1.238 0.030 1 664 62 62 VAL HG1 H 0.446 0.030 1 665 62 62 VAL HG2 H 0.799 0.030 1 666 62 62 VAL C C 175.975 0.300 1 667 62 62 VAL CA C 65.628 0.300 1 668 62 62 VAL CB C 31.826 0.300 1 669 62 62 VAL CG1 C 20.839 0.300 2 670 62 62 VAL CG2 C 22.882 0.300 2 671 62 62 VAL N N 115.375 0.300 1 672 63 63 LEU H H 7.685 0.030 1 673 63 63 LEU HA H 3.657 0.030 1 674 63 63 LEU HB2 H 1.134 0.030 2 675 63 63 LEU HB3 H 1.387 0.030 2 676 63 63 LEU HD1 H 0.135 0.030 1 677 63 63 LEU HD2 H 0.274 0.030 1 678 63 63 LEU HG H 1.388 0.030 1 679 63 63 LEU C C 177.407 0.300 1 680 63 63 LEU CA C 56.588 0.300 1 681 63 63 LEU CB C 42.035 0.300 1 682 63 63 LEU CD1 C 25.668 0.300 2 683 63 63 LEU CD2 C 22.609 0.300 2 684 63 63 LEU CG C 25.724 0.300 1 685 63 63 LEU N N 111.078 0.300 1 686 64 64 SER H H 7.846 0.030 1 687 64 64 SER HA H 3.951 0.030 1 688 64 64 SER HB2 H 2.772 0.030 2 689 64 64 SER HB3 H 3.489 0.030 2 690 64 64 SER C C 173.412 0.300 1 691 64 64 SER CA C 59.097 0.300 1 692 64 64 SER CB C 63.504 0.300 1 693 64 64 SER N N 109.328 0.300 1 694 65 65 ASP H H 6.914 0.030 1 695 65 65 ASP HA H 4.843 0.030 1 696 65 65 ASP HB2 H 2.475 0.030 2 697 65 65 ASP HB3 H 2.853 0.030 2 698 65 65 ASP C C 175.319 0.300 1 699 65 65 ASP CA C 52.439 0.300 1 700 65 65 ASP CB C 43.559 0.300 1 701 65 65 ASP N N 124.919 0.300 1 702 66 66 SER H H 8.984 0.030 1 703 66 66 SER HA H 3.943 0.030 1 704 66 66 SER HB2 H 3.936 0.030 2 705 66 66 SER C C 176.842 0.300 1 706 66 66 SER CA C 61.920 0.300 1 707 66 66 SER CB C 62.683 0.300 1 708 66 66 SER N N 121.329 0.300 1 709 67 67 LYS H H 8.056 0.030 1 710 67 67 LYS HA H 4.196 0.030 1 711 67 67 LYS HB2 H 1.962 0.030 2 712 67 67 LYS HB3 H 1.914 0.030 2 713 67 67 LYS HD2 H 1.720 0.030 2 714 67 67 LYS HE2 H 3.001 0.030 2 715 67 67 LYS HG2 H 1.395 0.030 2 716 67 67 LYS HG3 H 1.519 0.030 2 717 67 67 LYS C C 179.545 0.300 1 718 67 67 LYS CA C 59.370 0.300 1 719 67 67 LYS CB C 31.957 0.300 1 720 67 67 LYS CD C 28.993 0.300 1 721 67 67 LYS CE C 42.055 0.300 1 722 67 67 LYS CG C 25.163 0.300 1 723 67 67 LYS N N 122.259 0.300 1 724 68 68 LYS H H 8.383 0.030 1 725 68 68 LYS HA H 4.002 0.030 1 726 68 68 LYS HB2 H 1.838 0.030 2 727 68 68 LYS HB3 H 2.361 0.030 2 728 68 68 LYS HD2 H 1.650 0.030 2 729 68 68 LYS HE2 H 2.907 0.030 2 730 68 68 LYS HG2 H 1.562 0.030 2 731 68 68 LYS HG3 H 1.365 0.030 2 732 68 68 LYS C C 179.651 0.300 1 733 68 68 LYS CA C 60.307 0.300 1 734 68 68 LYS CB C 32.938 0.300 1 735 68 68 LYS CD C 30.025 0.300 1 736 68 68 LYS CE C 42.236 0.300 1 737 68 68 LYS CG C 26.646 0.300 1 738 68 68 LYS N N 121.482 0.300 1 739 69 69 ARG H H 9.450 0.030 1 740 69 69 ARG HA H 3.713 0.030 1 741 69 69 ARG HB2 H 2.154 0.030 2 742 69 69 ARG HB3 H 1.769 0.030 2 743 69 69 ARG HD2 H 3.167 0.030 2 744 69 69 ARG HD3 H 3.538 0.030 2 745 69 69 ARG HE H 8.005 0.030 1 746 69 69 ARG HG2 H 1.850 0.030 2 747 69 69 ARG HG3 H 1.730 0.030 2 748 69 69 ARG C C 177.620 0.300 1 749 69 69 ARG CA C 60.372 0.300 1 750 69 69 ARG CB C 29.863 0.300 1 751 69 69 ARG CD C 43.887 0.300 1 752 69 69 ARG CG C 26.594 0.300 1 753 69 69 ARG N N 122.394 0.300 1 754 69 69 ARG NE N 86.682 0.300 1 755 70 70 SER H H 7.711 0.030 1 756 70 70 SER HA H 4.359 0.030 1 757 70 70 SER HB2 H 4.054 0.030 1 758 70 70 SER HB3 H 4.054 0.030 1 759 70 70 SER C C 177.452 0.300 1 760 70 70 SER CA C 61.712 0.300 1 761 70 70 SER CB C 62.901 0.300 1 762 70 70 SER N N 112.786 0.300 1 763 71 71 LEU H H 7.555 0.030 1 764 71 71 LEU HA H 4.116 0.030 1 765 71 71 LEU HB2 H 1.667 0.030 2 766 71 71 LEU HB3 H 1.908 0.030 2 767 71 71 LEU HD1 H 0.930 0.030 1 768 71 71 LEU HD2 H 0.900 0.030 1 769 71 71 LEU HG H 1.802 0.030 1 770 71 71 LEU C C 179.309 0.300 1 771 71 71 LEU CA C 57.922 0.300 1 772 71 71 LEU CB C 41.877 0.300 1 773 71 71 LEU CD1 C 25.081 0.300 2 774 71 71 LEU CD2 C 23.311 0.300 2 775 71 71 LEU CG C 26.976 0.300 1 776 71 71 LEU N N 121.446 0.300 1 777 72 72 TYR H H 8.428 0.030 1 778 72 72 TYR HA H 4.166 0.030 1 779 72 72 TYR HB2 H 3.146 0.030 2 780 72 72 TYR HB3 H 3.017 0.030 2 781 72 72 TYR HD1 H 7.089 0.030 1 782 72 72 TYR HD2 H 7.089 0.030 1 783 72 72 TYR HE1 H 6.558 0.030 1 784 72 72 TYR HE2 H 6.558 0.030 1 785 72 72 TYR C C 178.305 0.300 1 786 72 72 TYR CA C 61.709 0.300 1 787 72 72 TYR CB C 38.935 0.300 1 788 72 72 TYR CD1 C 133.038 0.300 1 789 72 72 TYR CD2 C 133.038 0.300 1 790 72 72 TYR CE1 C 118.804 0.300 1 791 72 72 TYR CE2 C 118.804 0.300 1 792 72 72 TYR N N 123.146 0.300 1 793 73 73 ASP H H 8.986 0.030 1 794 73 73 ASP HA H 4.504 0.030 1 795 73 73 ASP HB2 H 2.817 0.030 2 796 73 73 ASP HB3 H 2.719 0.030 2 797 73 73 ASP C C 178.768 0.300 1 798 73 73 ASP CA C 56.712 0.300 1 799 73 73 ASP CB C 40.378 0.300 1 800 73 73 ASP N N 119.689 0.300 1 801 74 74 ARG H H 7.770 0.030 1 802 74 74 ARG HA H 4.182 0.030 1 803 74 74 ARG HB2 H 1.919 0.030 1 804 74 74 ARG HB3 H 1.919 0.030 1 805 74 74 ARG HD2 H 3.169 0.030 2 806 74 74 ARG HG2 H 1.789 0.030 2 807 74 74 ARG HG3 H 1.704 0.030 2 808 74 74 ARG C C 177.262 0.300 1 809 74 74 ARG CA C 57.794 0.300 1 810 74 74 ARG CB C 30.342 0.300 1 811 74 74 ARG CD C 43.591 0.300 1 812 74 74 ARG CG C 27.306 0.300 1 813 74 74 ARG N N 119.011 0.300 1 814 75 75 ALA H H 7.854 0.030 1 815 75 75 ALA HA H 4.285 0.030 1 816 75 75 ALA HB H 1.437 0.030 1 817 75 75 ALA C C 178.653 0.300 1 818 75 75 ALA CA C 53.260 0.300 1 819 75 75 ALA CB C 18.919 0.300 1 820 75 75 ALA N N 121.968 0.300 1 821 76 76 GLY H H 8.014 0.030 1 822 76 76 GLY HA2 H 3.759 0.030 1 823 76 76 GLY HA3 H 3.759 0.030 1 824 76 76 GLY C C 174.566 0.300 1 825 76 76 GLY CA C 45.579 0.300 1 826 76 76 GLY N N 106.891 0.300 1 827 77 77 CYS H H 7.955 0.030 1 828 77 77 CYS HA H 4.024 0.030 1 829 77 77 CYS HB2 H 2.855 0.030 2 830 77 77 CYS HB3 H 2.887 0.030 2 831 77 77 CYS C C 174.712 0.300 1 832 77 77 CYS CA C 59.193 0.300 1 833 77 77 CYS CB C 27.628 0.300 1 834 77 77 CYS N N 117.880 0.300 1 835 78 78 ASP H H 8.253 0.030 1 836 78 78 ASP HA H 4.572 0.030 1 837 78 78 ASP HB2 H 2.572 0.030 2 838 78 78 ASP HB3 H 2.628 0.030 2 839 78 78 ASP C C 176.872 0.300 1 840 78 78 ASP CA C 55.015 0.300 1 841 78 78 ASP CB C 40.978 0.300 1 842 78 78 ASP N N 121.369 0.300 1 843 79 79 SER H H 8.100 0.030 1 844 79 79 SER HA H 4.305 0.030 1 845 79 79 SER HB2 H 3.800 0.030 2 846 79 79 SER HB3 H 3.837 0.030 2 847 79 79 SER C C 174.911 0.300 1 848 79 79 SER CA C 59.416 0.300 1 849 79 79 SER CB C 63.425 0.300 1 850 79 79 SER N N 115.479 0.300 1 851 80 80 TRP H H 7.904 0.030 1 852 80 80 TRP HA H 4.567 0.030 1 853 80 80 TRP HB2 H 3.269 0.030 2 854 80 80 TRP HB3 H 3.335 0.030 2 855 80 80 TRP HD1 H 7.232 0.030 1 856 80 80 TRP HE1 H 10.041 0.030 1 857 80 80 TRP HE3 H 7.534 0.030 1 858 80 80 TRP HH2 H 7.190 0.030 1 859 80 80 TRP HZ2 H 7.425 0.030 1 860 80 80 TRP HZ3 H 7.107 0.030 1 861 80 80 TRP C C 176.550 0.300 1 862 80 80 TRP CA C 57.820 0.300 1 863 80 80 TRP CB C 29.106 0.300 1 864 80 80 TRP CD1 C 127.114 0.300 1 865 80 80 TRP CE3 C 120.948 0.300 1 866 80 80 TRP CH2 C 124.843 0.300 1 867 80 80 TRP CZ2 C 114.655 0.300 1 868 80 80 TRP CZ3 C 121.898 0.300 1 869 80 80 TRP N N 121.989 0.300 1 870 80 80 TRP NE1 N 129.544 0.300 1 871 81 81 ARG H H 7.699 0.030 1 872 81 81 ARG HA H 4.068 0.030 1 873 81 81 ARG HB2 H 1.479 0.030 2 874 81 81 ARG HB3 H 1.630 0.030 2 875 81 81 ARG HD2 H 3.040 0.030 2 876 81 81 ARG HG2 H 1.250 0.030 2 877 81 81 ARG C C 176.049 0.300 1 878 81 81 ARG CA C 56.303 0.300 1 879 81 81 ARG CB C 30.700 0.300 1 880 81 81 ARG CD C 43.332 0.300 1 881 81 81 ARG CG C 26.976 0.300 1 882 81 81 ARG N N 121.835 0.300 1 883 82 82 ALA H H 8.018 0.030 1 884 82 82 ALA HA H 4.184 0.030 1 885 82 82 ALA HB H 1.362 0.030 1 886 82 82 ALA C C 178.330 0.300 1 887 82 82 ALA CA C 52.777 0.300 1 888 82 82 ALA CB C 19.080 0.300 1 889 82 82 ALA N N 124.166 0.300 1 890 83 83 GLY H H 8.272 0.030 1 891 83 83 GLY HA2 H 3.943 0.030 1 892 83 83 GLY HA3 H 3.943 0.030 1 893 83 83 GLY C C 174.946 0.300 1 894 83 83 GLY CA C 45.424 0.300 1 895 83 83 GLY N N 108.056 0.300 1 896 84 84 GLY H H 8.236 0.030 1 897 84 84 GLY HA2 H 3.940 0.030 1 898 84 84 GLY HA3 H 3.940 0.030 1 899 84 84 GLY C C 174.809 0.300 1 900 84 84 GLY CA C 45.403 0.300 1 901 84 84 GLY N N 108.691 0.300 1 902 85 85 GLY H H 8.276 0.030 1 903 85 85 GLY HA2 H 3.876 0.030 1 904 85 85 GLY HA3 H 3.876 0.030 1 905 85 85 GLY C C 174.059 0.300 1 906 85 85 GLY CA C 45.192 0.300 1 907 85 85 GLY N N 108.817 0.300 1 908 86 86 ALA H H 8.220 0.030 1 909 86 86 ALA HA H 4.350 0.030 1 910 86 86 ALA HB H 1.369 0.030 1 911 86 86 ALA C C 177.916 0.300 1 912 86 86 ALA CA C 52.581 0.300 1 913 86 86 ALA CB C 19.395 0.300 1 914 86 86 ALA N N 123.926 0.300 1 915 87 87 SER H H 8.304 0.030 1 916 87 87 SER HA H 4.478 0.030 1 917 87 87 SER HB2 H 3.872 0.030 1 918 87 87 SER HB3 H 3.872 0.030 1 919 87 87 SER C C 174.582 0.300 1 920 87 87 SER CA C 58.292 0.300 1 921 87 87 SER CB C 63.955 0.300 1 922 87 87 SER N N 114.967 0.300 1 923 88 88 GLY H H 8.152 0.030 1 924 88 88 GLY HA2 H 4.100 0.030 2 925 88 88 GLY HA3 H 4.059 0.030 2 926 88 88 GLY C C 171.787 0.300 1 927 88 88 GLY CA C 44.635 0.300 1 928 88 88 GLY N N 110.520 0.300 1 929 89 89 PRO HA H 4.449 0.030 1 930 89 89 PRO HB2 H 2.268 0.030 2 931 89 89 PRO HD2 H 3.586 0.030 1 932 89 89 PRO HD3 H 3.586 0.030 1 933 89 89 PRO HG2 H 1.991 0.030 1 934 89 89 PRO HG3 H 1.991 0.030 1 935 89 89 PRO CA C 63.277 0.300 1 936 89 89 PRO CB C 32.200 0.300 1 937 89 89 PRO CD C 49.765 0.300 1 938 89 89 PRO CG C 27.144 0.300 1 939 91 91 SER HA H 4.490 0.030 1 940 91 91 SER HB2 H 3.888 0.030 1 941 91 91 SER HB3 H 3.888 0.030 1 942 91 91 SER C C 173.959 0.300 1 943 91 91 SER CA C 58.397 0.300 1 944 91 91 SER CB C 64.058 0.300 1 945 92 92 GLY H H 8.045 0.030 1 946 92 92 GLY C C 179.022 0.300 1 947 92 92 GLY CA C 46.233 0.300 1 948 92 92 GLY N N 116.839 0.300 1 stop_ save_