data_10119 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; DnaJ domain of human KIAA0730 protein ; _BMRB_accession_number 10119 _BMRB_flat_file_name bmr10119.str _Entry_type new _Submission_date 2007-04-02 _Accession_date 2007-04-03 _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 Kigawa T. . . 4 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" 531 "13C chemical shifts" 371 "15N chemical shifts" 90 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-09-02 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of DnaJ domain of human KIAA0730 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 Kigawa T. . . 4 Yokoyama S. . . stop_ _Journal_abbreviation 'Not known' _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 'KIAA0730 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'KIAA0730 protein' $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 88 _Mol_residue_sequence ; MHHHHHHLVPRGSILKEVTS VVEQAWKLPESERKKIIRRL YLKWHPDKNPENHDIANEVF KHLQNEINRLEKQAFLDQNA DRASRRTF ; loop_ _Residue_seq_code _Residue_label 1 MET 2 HIS 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 LEU 9 VAL 10 PRO 11 ARG 12 GLY 13 SER 14 ILE 15 LEU 16 LYS 17 GLU 18 VAL 19 THR 20 SER 21 VAL 22 VAL 23 GLU 24 GLN 25 ALA 26 TRP 27 LYS 28 LEU 29 PRO 30 GLU 31 SER 32 GLU 33 ARG 34 LYS 35 LYS 36 ILE 37 ILE 38 ARG 39 ARG 40 LEU 41 TYR 42 LEU 43 LYS 44 TRP 45 HIS 46 PRO 47 ASP 48 LYS 49 ASN 50 PRO 51 GLU 52 ASN 53 HIS 54 ASP 55 ILE 56 ALA 57 ASN 58 GLU 59 VAL 60 PHE 61 LYS 62 HIS 63 LEU 64 GLN 65 ASN 66 GLU 67 ILE 68 ASN 69 ARG 70 LEU 71 GLU 72 LYS 73 GLN 74 ALA 75 PHE 76 LEU 77 ASP 78 GLN 79 ASN 80 ALA 81 ASP 82 ARG 83 ALA 84 SER 85 ARG 86 ARG 87 THR 88 PHE 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 1IUR "Dnaj Domain Of Human Kiaa0730 Protein" 100.00 88 100.00 100.00 2.09e-56 DBJ BAA34450 "KIAA0730 protein [Homo sapiens]" 85.23 1004 100.00 100.00 4.62e-42 DBJ BAB39340 "hypothetical protein [Macaca fascicularis]" 85.23 638 100.00 100.00 4.32e-43 DBJ BAD32289 "mKIAA0730 protein [Mus musculus]" 85.23 1024 100.00 100.00 4.98e-42 GB AAF31262 "sacsin [Homo sapiens]" 85.23 3829 100.00 100.00 1.77e-41 GB AAF31263 "sacsin [Mus musculus]" 85.23 3830 100.00 100.00 1.58e-41 GB EAX08322 "hCG1774880 [Homo sapiens]" 85.23 3829 100.00 100.00 1.77e-41 GB EDL36107 "mCG7227 [Mus musculus]" 85.23 3830 100.00 100.00 1.58e-41 GB EDL85271 "rCG52205 [Rattus norvegicus]" 85.23 3830 100.00 100.00 1.79e-41 REF NP_001264984 "sacsin isoform 2 [Homo sapiens]" 85.23 4432 100.00 100.00 1.92e-41 REF NP_055178 "sacsin isoform 1 [Homo sapiens]" 85.23 4579 100.00 100.00 2.07e-41 REF XP_001089964 "PREDICTED: sacsin-like isoform 2 [Macaca mulatta]" 85.23 4517 100.00 100.00 2.27e-41 REF XP_002824122 "PREDICTED: LOW QUALITY PROTEIN: sacsin [Pongo abelii]" 85.23 4576 100.00 100.00 2.07e-41 REF XP_003477292 "PREDICTED: LOW QUALITY PROTEIN: sacsin [Cavia porcellus]" 85.23 4430 97.33 98.67 6.89e-40 SP Q9JLC8 "RecName: Full=Sacsin; AltName: Full=DnaJ homolog subfamily C member 29; Short=DNAJC29" 85.23 4582 100.00 100.00 2.03e-41 SP Q9NZJ4 "RecName: Full=Sacsin; AltName: Full=DnaJ homolog subfamily C member 29; Short=DNAJC29" 85.23 4579 100.00 100.00 2.07e-41 TPG DAA23892 "TPA: hypothetical protein BOS_12530 [Bos taurus]" 85.23 4575 97.33 100.00 2.16e-40 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P010905-02 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 1.3 mM '[U-13C; U-15N]' 'Sodium Phosphate' 20 mM . 'Sodium chloride' 100 mM . 'Sodium azide' 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 1.8 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.03 loop_ _Vendor _Address _Electronic_address Johnson . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name DYANA _Version . loop_ _Vendor _Address _Electronic_address Guntert . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address Brunger . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 600 _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_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 0.1 mM pH 6.0 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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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 'KIAA0730 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 HIS HA H 4.643 0.030 1 2 7 7 HIS HB2 H 3.067 0.030 1 3 7 7 HIS HB3 H 3.067 0.030 1 4 7 7 HIS C C 174.679 0.300 1 5 7 7 HIS CA C 56.065 0.300 1 6 7 7 HIS CB C 30.290 0.300 1 7 8 8 LEU H H 8.354 0.030 1 8 8 8 LEU HA H 4.363 0.030 1 9 8 8 LEU HB2 H 1.570 0.030 1 10 8 8 LEU HB3 H 1.570 0.030 1 11 8 8 LEU HG H 1.461 0.030 1 12 8 8 LEU HD1 H 0.846 0.030 1 13 8 8 LEU HD2 H 0.875 0.030 1 14 8 8 LEU C C 176.663 0.300 1 15 8 8 LEU CA C 55.117 0.300 1 16 8 8 LEU CB C 42.338 0.300 1 17 8 8 LEU CG C 26.833 0.300 1 18 8 8 LEU CD1 C 23.571 0.300 2 19 8 8 LEU CD2 C 24.957 0.300 2 20 8 8 LEU N N 123.718 0.300 1 21 9 9 VAL H H 8.028 0.030 1 22 9 9 VAL HA H 4.439 0.030 1 23 9 9 VAL HB H 2.079 0.030 1 24 9 9 VAL HG1 H 0.966 0.030 1 25 9 9 VAL HG2 H 0.929 0.030 1 26 9 9 VAL CA C 59.722 0.300 1 27 9 9 VAL CB C 32.861 0.300 1 28 9 9 VAL CG1 C 21.198 0.300 2 29 9 9 VAL CG2 C 20.394 0.300 2 30 9 9 VAL N N 121.867 0.300 1 31 10 10 PRO HA H 4.453 0.030 1 32 10 10 PRO HB2 H 1.900 0.030 2 33 10 10 PRO HB3 H 2.265 0.030 2 34 10 10 PRO HG2 H 1.984 0.030 2 35 10 10 PRO HG3 H 2.045 0.030 2 36 10 10 PRO HD2 H 3.706 0.030 2 37 10 10 PRO HD3 H 3.879 0.030 2 38 10 10 PRO C C 177.187 0.300 1 39 10 10 PRO CA C 62.839 0.300 1 40 10 10 PRO CB C 31.972 0.300 1 41 10 10 PRO CG C 27.722 0.300 1 42 10 10 PRO CD C 51.008 0.300 1 43 11 11 ARG H H 8.609 0.030 1 44 11 11 ARG HA H 4.068 0.030 1 45 11 11 ARG HB2 H 1.826 0.030 1 46 11 11 ARG HB3 H 1.826 0.030 1 47 11 11 ARG HG2 H 1.643 0.030 1 48 11 11 ARG HG3 H 1.643 0.030 1 49 11 11 ARG HD2 H 3.162 0.030 1 50 11 11 ARG HD3 H 3.162 0.030 1 51 11 11 ARG C C 177.652 0.300 1 52 11 11 ARG CA C 57.865 0.300 1 53 11 11 ARG CB C 30.589 0.300 1 54 11 11 ARG CG C 27.031 0.300 1 55 11 11 ARG CD C 43.424 0.300 1 56 11 11 ARG N N 122.602 0.300 1 57 12 12 GLY H H 8.718 0.030 1 58 12 12 GLY HA2 H 3.760 0.030 2 59 12 12 GLY HA3 H 3.959 0.030 2 60 12 12 GLY C C 176.139 0.300 1 61 12 12 GLY CA C 46.834 0.300 1 62 12 12 GLY N N 107.838 0.300 1 63 13 13 SER H H 8.067 0.030 1 64 13 13 SER HA H 4.279 0.030 1 65 13 13 SER HB2 H 3.937 0.030 1 66 13 13 SER HB3 H 3.937 0.030 1 67 13 13 SER C C 176.634 0.300 1 68 13 13 SER CA C 60.623 0.300 1 69 13 13 SER CB C 62.810 0.300 1 70 13 13 SER N N 115.978 0.300 1 71 14 14 ILE H H 7.710 0.030 1 72 14 14 ILE HA H 3.930 0.030 1 73 14 14 ILE HB H 1.808 0.030 1 74 14 14 ILE HG12 H 1.186 0.030 2 75 14 14 ILE HG13 H 1.557 0.030 2 76 14 14 ILE HG2 H 0.713 0.030 1 77 14 14 ILE HD1 H 0.957 0.030 1 78 14 14 ILE C C 177.682 0.300 1 79 14 14 ILE CA C 63.989 0.300 1 80 14 14 ILE CB C 37.996 0.300 1 81 14 14 ILE CG1 C 28.733 0.300 1 82 14 14 ILE CG2 C 18.637 0.300 1 83 14 14 ILE CD1 C 13.524 0.300 1 84 14 14 ILE N N 124.037 0.300 1 85 15 15 LEU H H 7.503 0.030 1 86 15 15 LEU HA H 3.583 0.030 1 87 15 15 LEU HB2 H 0.405 0.030 2 88 15 15 LEU HB3 H 1.556 0.030 2 89 15 15 LEU HG H 1.472 0.030 1 90 15 15 LEU HD1 H 0.342 0.030 1 91 15 15 LEU HD2 H 0.571 0.030 1 92 15 15 LEU C C 179.515 0.300 1 93 15 15 LEU CA C 58.406 0.300 1 94 15 15 LEU CB C 39.435 0.300 1 95 15 15 LEU CG C 26.556 0.300 1 96 15 15 LEU CD1 C 22.481 0.300 2 97 15 15 LEU CD2 C 25.016 0.300 2 98 15 15 LEU N N 118.136 0.300 1 99 16 16 LYS H H 7.614 0.030 1 100 16 16 LYS HA H 4.083 0.030 1 101 16 16 LYS HB2 H 1.881 0.030 1 102 16 16 LYS HB3 H 1.881 0.030 1 103 16 16 LYS HG2 H 1.443 0.030 2 104 16 16 LYS HG3 H 1.567 0.030 2 105 16 16 LYS HD2 H 1.671 0.030 2 106 16 16 LYS HD3 H 1.728 0.030 2 107 16 16 LYS HE2 H 2.961 0.030 1 108 16 16 LYS HE3 H 2.961 0.030 1 109 16 16 LYS C C 179.224 0.300 1 110 16 16 LYS CA C 59.521 0.300 1 111 16 16 LYS CB C 32.367 0.300 1 112 16 16 LYS CG C 25.253 0.300 1 113 16 16 LYS CD C 29.105 0.300 1 114 16 16 LYS CE C 42.140 0.300 1 115 16 16 LYS N N 118.272 0.300 1 116 17 17 GLU H H 7.890 0.030 1 117 17 17 GLU HA H 4.164 0.030 1 118 17 17 GLU HB2 H 2.265 0.030 1 119 17 17 GLU HB3 H 2.265 0.030 1 120 17 17 GLU HG2 H 2.297 0.030 1 121 17 17 GLU HG3 H 2.419 0.030 1 122 17 17 GLU C C 178.845 0.300 1 123 17 17 GLU CA C 59.620 0.300 1 124 17 17 GLU CB C 29.302 0.300 1 125 17 17 GLU CG C 36.116 0.300 1 126 17 17 GLU N N 122.037 0.300 1 127 18 18 VAL H H 8.248 0.030 1 128 18 18 VAL HA H 3.650 0.030 1 129 18 18 VAL HB H 2.247 0.030 1 130 18 18 VAL HG1 H 0.855 0.030 1 131 18 18 VAL HG2 H 0.923 0.030 1 132 18 18 VAL C C 177.565 0.300 1 133 18 18 VAL CA C 67.524 0.300 1 134 18 18 VAL CB C 31.478 0.300 1 135 18 18 VAL CG1 C 22.035 0.300 2 136 18 18 VAL CG2 C 23.081 0.300 2 137 18 18 VAL N N 119.645 0.300 1 138 19 19 THR H H 8.367 0.030 1 139 19 19 THR HA H 3.697 0.030 1 140 19 19 THR HB H 4.274 0.030 1 141 19 19 THR HG2 H 1.197 0.030 1 142 19 19 THR C C 175.063 0.300 1 143 19 19 THR CA C 69.298 0.300 1 144 19 19 THR CB C 69.328 0.300 1 145 19 19 THR CG2 C 21.599 0.300 1 146 19 19 THR N N 116.641 0.300 1 147 20 20 SER H H 8.130 0.030 1 148 20 20 SER HA H 4.255 0.030 1 149 20 20 SER HB2 H 4.080 0.030 1 150 20 20 SER HB3 H 4.080 0.030 1 151 20 20 SER C C 177.041 0.300 1 152 20 20 SER CA C 62.112 0.300 1 153 20 20 SER CB C 62.959 0.300 1 154 20 20 SER N N 114.897 0.300 1 155 21 21 VAL H H 8.330 0.030 1 156 21 21 VAL HA H 3.810 0.030 1 157 21 21 VAL HB H 2.260 0.030 1 158 21 21 VAL HG1 H 1.040 0.030 1 159 21 21 VAL HG2 H 1.223 0.030 1 160 21 21 VAL C C 179.107 0.300 1 161 21 21 VAL CA C 66.692 0.300 1 162 21 21 VAL CB C 31.774 0.300 1 163 21 21 VAL CG1 C 22.492 0.300 2 164 21 21 VAL CG2 C 22.982 0.300 2 165 21 21 VAL N N 121.474 0.300 1 166 22 22 VAL H H 8.414 0.030 1 167 22 22 VAL HA H 3.701 0.030 1 168 22 22 VAL HB H 2.117 0.030 1 169 22 22 VAL HG1 H 0.913 0.030 1 170 22 22 VAL HG2 H 0.998 0.030 1 171 22 22 VAL C C 177.682 0.300 1 172 22 22 VAL CA C 67.377 0.300 1 173 22 22 VAL CB C 31.596 0.300 1 174 22 22 VAL CG1 C 22.412 0.300 2 175 22 22 VAL CG2 C 23.488 0.300 2 176 22 22 VAL N N 120.106 0.300 1 177 23 23 GLU H H 8.715 0.030 1 178 23 23 GLU HA H 3.970 0.030 1 179 23 23 GLU HB2 H 1.974 0.030 2 180 23 23 GLU HB3 H 2.223 0.030 2 181 23 23 GLU HG2 H 2.203 0.030 2 182 23 23 GLU HG3 H 2.628 0.030 2 183 23 23 GLU C C 180.562 0.300 1 184 23 23 GLU CA C 60.485 0.300 1 185 23 23 GLU CB C 29.196 0.300 1 186 23 23 GLU CG C 37.795 0.300 1 187 23 23 GLU N N 118.236 0.300 1 188 24 24 GLN H H 8.168 0.030 1 189 24 24 GLN HA H 4.099 0.030 1 190 24 24 GLN HB2 H 2.247 0.030 1 191 24 24 GLN HB3 H 2.247 0.030 1 192 24 24 GLN HG2 H 2.506 0.030 2 193 24 24 GLN HG3 H 2.609 0.030 2 194 24 24 GLN HE21 H 6.898 0.030 2 195 24 24 GLN HE22 H 7.384 0.030 2 196 24 24 GLN C C 179.573 0.300 1 197 24 24 GLN CA C 58.786 0.300 1 198 24 24 GLN CB C 28.424 0.300 1 199 24 24 GLN CG C 34.278 0.300 1 200 24 24 GLN N N 117.605 0.300 1 201 24 24 GLN NE2 N 111.923 0.300 1 202 25 25 ALA H H 8.609 0.030 1 203 25 25 ALA HA H 4.066 0.030 1 204 25 25 ALA HB H 1.662 0.030 1 205 25 25 ALA C C 179.136 0.300 1 206 25 25 ALA CA C 54.506 0.300 1 207 25 25 ALA CB C 17.850 0.300 1 208 25 25 ALA N N 122.938 0.300 1 209 26 26 TRP H H 8.049 0.030 1 210 26 26 TRP HA H 4.022 0.030 1 211 26 26 TRP HB2 H 3.304 0.030 2 212 26 26 TRP HB3 H 3.371 0.030 2 213 26 26 TRP HD1 H 7.272 0.030 1 214 26 26 TRP HE1 H 9.803 0.030 1 215 26 26 TRP HE3 H 7.739 0.030 1 216 26 26 TRP HZ2 H 7.384 0.030 1 217 26 26 TRP HZ3 H 6.903 0.030 1 218 26 26 TRP HH2 H 7.203 0.030 1 219 26 26 TRP CA C 60.819 0.300 1 220 26 26 TRP CB C 29.404 0.300 1 221 26 26 TRP CD1 C 126.061 0.300 1 222 26 26 TRP CE3 C 120.915 0.300 1 223 26 26 TRP CZ2 C 114.253 0.300 1 224 26 26 TRP CZ3 C 120.945 0.300 1 225 26 26 TRP CH2 C 124.747 0.300 1 226 26 26 TRP N N 116.901 0.300 1 227 26 26 TRP NE1 N 126.969 0.300 1 228 27 27 LYS H H 7.460 0.030 1 229 27 27 LYS HA H 4.406 0.030 1 230 27 27 LYS HB2 H 1.896 0.030 2 231 27 27 LYS HB3 H 2.127 0.030 2 232 27 27 LYS HG2 H 1.569 0.030 2 233 27 27 LYS HG3 H 1.707 0.030 2 234 27 27 LYS HD2 H 1.735 0.030 1 235 27 27 LYS HD3 H 1.735 0.030 1 236 27 27 LYS HE2 H 3.058 0.030 1 237 27 27 LYS HE3 H 3.058 0.030 1 238 27 27 LYS C C 176.692 0.300 1 239 27 27 LYS CA C 56.266 0.300 1 240 27 27 LYS CB C 32.663 0.300 1 241 27 27 LYS CG C 25.154 0.300 1 242 27 27 LYS CD C 29.203 0.300 1 243 27 27 LYS CE C 42.535 0.300 1 244 27 27 LYS N N 115.980 0.300 1 245 28 28 LEU H H 7.482 0.030 1 246 28 28 LEU HA H 4.636 0.030 1 247 28 28 LEU HB2 H 1.460 0.030 2 248 28 28 LEU HB3 H 1.859 0.030 2 249 28 28 LEU HG H 1.863 0.030 1 250 28 28 LEU HD1 H 0.898 0.030 1 251 28 28 LEU HD2 H 0.904 0.030 1 252 28 28 LEU CA C 52.956 0.300 1 253 28 28 LEU CB C 41.304 0.300 1 254 28 28 LEU CG C 26.424 0.300 1 255 28 28 LEU CD1 C 26.414 0.300 2 256 28 28 LEU CD2 C 21.776 0.300 2 257 28 28 LEU N N 120.880 0.300 1 258 29 29 PRO HA H 4.413 0.030 1 259 29 29 PRO HB2 H 1.845 0.030 2 260 29 29 PRO HB3 H 2.487 0.030 2 261 29 29 PRO HG2 H 2.063 0.030 2 262 29 29 PRO HG3 H 2.112 0.030 2 263 29 29 PRO HD2 H 3.525 0.030 2 264 29 29 PRO HD3 H 3.844 0.030 2 265 29 29 PRO CA C 62.845 0.300 1 266 29 29 PRO CB C 32.462 0.300 1 267 29 29 PRO CG C 28.315 0.300 1 268 29 29 PRO CD C 50.602 0.300 1 269 30 30 GLU H H 8.808 0.030 1 270 30 30 GLU HA H 3.613 0.030 1 271 30 30 GLU HB2 H 1.950 0.030 2 272 30 30 GLU HB3 H 2.095 0.030 2 273 30 30 GLU HG2 H 2.132 0.030 1 274 30 30 GLU HG3 H 2.132 0.030 1 275 30 30 GLU C C 177.158 0.300 1 276 30 30 GLU CA C 60.755 0.300 1 277 30 30 GLU CB C 29.997 0.300 1 278 30 30 GLU CG C 36.024 0.300 1 279 30 30 GLU N N 123.750 0.300 1 280 31 31 SER H H 8.805 0.030 1 281 31 31 SER HA H 4.015 0.030 1 282 31 31 SER HB2 H 3.900 0.030 1 283 31 31 SER HB3 H 3.900 0.030 1 284 31 31 SER C C 176.896 0.300 1 285 31 31 SER CA C 61.656 0.300 1 286 31 31 SER CB C 62.035 0.300 1 287 31 31 SER N N 111.899 0.300 1 288 32 32 GLU H H 7.224 0.030 1 289 32 32 GLU HA H 4.202 0.030 1 290 32 32 GLU HB2 H 1.966 0.030 2 291 32 32 GLU HB3 H 2.128 0.030 2 292 32 32 GLU HG2 H 2.304 0.030 2 293 32 32 GLU HG3 H 2.389 0.030 2 294 32 32 GLU CA C 58.104 0.300 1 295 32 32 GLU CB C 30.491 0.300 1 296 32 32 GLU CG C 35.820 0.300 1 297 32 32 GLU N N 121.609 0.300 1 298 33 33 ARG H H 8.460 0.030 1 299 33 33 ARG HA H 3.702 0.030 1 300 33 33 ARG HB2 H 1.589 0.030 2 301 33 33 ARG HB3 H 1.808 0.030 2 302 33 33 ARG HG2 H 0.949 0.030 1 303 33 33 ARG HG3 H 0.949 0.030 1 304 33 33 ARG HD2 H 1.688 0.030 1 305 33 33 ARG HD3 H 1.688 0.030 1 306 33 33 ARG HE H 6.449 0.030 1 307 33 33 ARG C C 178.234 0.300 1 308 33 33 ARG CA C 59.882 0.300 1 309 33 33 ARG CB C 30.194 0.300 1 310 33 33 ARG CG C 24.759 0.300 1 311 33 33 ARG CD C 42.831 0.300 1 312 33 33 ARG N N 122.060 0.300 1 313 33 33 ARG NE N 82.684 0.300 1 314 34 34 LYS H H 8.354 0.030 1 315 34 34 LYS HA H 3.794 0.030 1 316 34 34 LYS HB2 H 1.790 0.030 1 317 34 34 LYS HB3 H 1.790 0.030 1 318 34 34 LYS HG2 H 1.376 0.030 2 319 34 34 LYS HG3 H 1.575 0.030 2 320 34 34 LYS HD2 H 1.631 0.030 1 321 34 34 LYS HD3 H 1.631 0.030 1 322 34 34 LYS HE2 H 2.896 0.030 1 323 34 34 LYS HE3 H 2.896 0.030 1 324 34 34 LYS C C 179.078 0.300 1 325 34 34 LYS CA C 60.043 0.300 1 326 34 34 LYS CB C 32.367 0.300 1 327 34 34 LYS CG C 26.216 0.300 1 328 34 34 LYS CD C 29.598 0.300 1 329 34 34 LYS CE C 41.943 0.300 1 330 34 34 LYS N N 115.689 0.300 1 331 35 35 LYS H H 7.122 0.030 1 332 35 35 LYS HA H 4.028 0.030 1 333 35 35 LYS HB2 H 1.973 0.030 1 334 35 35 LYS HB3 H 1.973 0.030 1 335 35 35 LYS HG2 H 1.421 0.030 2 336 35 35 LYS HG3 H 1.724 0.030 2 337 35 35 LYS HD2 H 1.724 0.030 1 338 35 35 LYS HD3 H 1.724 0.030 1 339 35 35 LYS HE2 H 2.979 0.030 1 340 35 35 LYS HE3 H 2.979 0.030 1 341 35 35 LYS C C 179.166 0.300 1 342 35 35 LYS CA C 59.767 0.300 1 343 35 35 LYS CB C 32.762 0.300 1 344 35 35 LYS CG C 25.253 0.300 1 345 35 35 LYS CD C 29.796 0.300 1 346 35 35 LYS CE C 41.943 0.300 1 347 35 35 LYS N N 118.639 0.300 1 348 36 36 ILE H H 7.613 0.030 1 349 36 36 ILE HA H 3.696 0.030 1 350 36 36 ILE HB H 1.899 0.030 1 351 36 36 ILE HG12 H 1.199 0.030 2 352 36 36 ILE HG13 H 1.707 0.030 2 353 36 36 ILE HG2 H 0.917 0.030 1 354 36 36 ILE HD1 H 0.883 0.030 1 355 36 36 ILE C C 178.496 0.300 1 356 36 36 ILE CA C 64.856 0.300 1 357 36 36 ILE CB C 38.241 0.300 1 358 36 36 ILE CG1 C 29.203 0.300 1 359 36 36 ILE CG2 C 17.534 0.300 1 360 36 36 ILE CD1 C 14.002 0.300 1 361 36 36 ILE N N 120.687 0.300 1 362 37 37 ILE H H 8.261 0.030 1 363 37 37 ILE HA H 3.734 0.030 1 364 37 37 ILE HB H 2.004 0.030 1 365 37 37 ILE HG12 H 1.475 0.030 2 366 37 37 ILE HG13 H 1.652 0.030 2 367 37 37 ILE HG2 H 1.034 0.030 1 368 37 37 ILE HD1 H 0.947 0.030 1 369 37 37 ILE C C 178.671 0.300 1 370 37 37 ILE CA C 64.406 0.300 1 371 37 37 ILE CB C 36.605 0.300 1 372 37 37 ILE CG1 C 28.689 0.300 1 373 37 37 ILE CG2 C 18.263 0.300 1 374 37 37 ILE CD1 C 12.113 0.300 1 375 37 37 ILE N N 119.113 0.300 1 376 38 38 ARG H H 8.155 0.030 1 377 38 38 ARG HA H 4.186 0.030 1 378 38 38 ARG HB2 H 1.973 0.030 1 379 38 38 ARG HB3 H 1.973 0.030 1 380 38 38 ARG HG2 H 1.741 0.030 1 381 38 38 ARG HG3 H 1.741 0.030 1 382 38 38 ARG HD2 H 3.208 0.030 1 383 38 38 ARG HD3 H 3.208 0.030 1 384 38 38 ARG C C 178.467 0.300 1 385 38 38 ARG CA C 59.422 0.300 1 386 38 38 ARG CB C 29.598 0.300 1 387 38 38 ARG CG C 27.129 0.300 1 388 38 38 ARG CD C 43.424 0.300 1 389 38 38 ARG N N 119.338 0.300 1 390 39 39 ARG H H 7.609 0.030 1 391 39 39 ARG HA H 4.107 0.030 1 392 39 39 ARG HB2 H 2.046 0.030 1 393 39 39 ARG HB3 H 2.046 0.030 1 394 39 39 ARG HG2 H 1.703 0.030 1 395 39 39 ARG HG3 H 1.703 0.030 1 396 39 39 ARG HD2 H 3.262 0.030 1 397 39 39 ARG HD3 H 3.262 0.030 1 398 39 39 ARG C C 179.660 0.300 1 399 39 39 ARG CA C 59.816 0.300 1 400 39 39 ARG CB C 29.993 0.300 1 401 39 39 ARG CG C 27.821 0.300 1 402 39 39 ARG CD C 43.918 0.300 1 403 39 39 ARG N N 117.643 0.300 1 404 40 40 LEU H H 7.986 0.030 1 405 40 40 LEU HA H 4.296 0.030 1 406 40 40 LEU HB2 H 1.717 0.030 2 407 40 40 LEU HB3 H 2.237 0.030 2 408 40 40 LEU HG H 2.043 0.030 1 409 40 40 LEU HD1 H 1.049 0.030 1 410 40 40 LEU HD2 H 1.124 0.030 1 411 40 40 LEU C C 178.293 0.300 1 412 40 40 LEU CA C 58.206 0.300 1 413 40 40 LEU CB C 43.108 0.300 1 414 40 40 LEU CG C 27.039 0.300 1 415 40 40 LEU CD1 C 26.297 0.300 2 416 40 40 LEU CD2 C 24.185 0.300 2 417 40 40 LEU N N 121.163 0.300 1 418 41 41 TYR H H 8.757 0.030 1 419 41 41 TYR HA H 4.234 0.030 1 420 41 41 TYR HB2 H 3.245 0.030 2 421 41 41 TYR HB3 H 3.400 0.030 2 422 41 41 TYR HD1 H 7.193 0.030 1 423 41 41 TYR HD2 H 7.193 0.030 1 424 41 41 TYR HE1 H 6.837 0.030 1 425 41 41 TYR HE2 H 6.837 0.030 1 426 41 41 TYR C C 177.740 0.300 1 427 41 41 TYR CA C 62.106 0.300 1 428 41 41 TYR CB C 38.885 0.300 1 429 41 41 TYR CD1 C 133.094 0.300 1 430 41 41 TYR CD2 C 133.094 0.300 1 431 41 41 TYR CE1 C 118.371 0.300 1 432 41 41 TYR CE2 C 118.371 0.300 1 433 41 41 TYR N N 120.454 0.300 1 434 42 42 LEU H H 8.151 0.030 1 435 42 42 LEU HA H 4.150 0.030 1 436 42 42 LEU HB2 H 1.565 0.030 2 437 42 42 LEU HB3 H 1.913 0.030 2 438 42 42 LEU HG H 1.943 0.030 1 439 42 42 LEU HD1 H 0.955 0.030 1 440 42 42 LEU HD2 H 0.960 0.030 1 441 42 42 LEU C C 178.845 0.300 1 442 42 42 LEU CA C 57.352 0.300 1 443 42 42 LEU CB C 42.242 0.300 1 444 42 42 LEU CG C 27.129 0.300 1 445 42 42 LEU CD1 C 23.050 0.300 2 446 42 42 LEU CD2 C 25.352 0.300 2 447 42 42 LEU N N 116.509 0.300 1 448 43 43 LYS H H 7.753 0.030 1 449 43 43 LYS HA H 3.893 0.030 1 450 43 43 LYS HB2 H 1.757 0.030 1 451 43 43 LYS HB3 H 1.757 0.030 1 452 43 43 LYS HG2 H 0.130 0.030 2 453 43 43 LYS HG3 H 0.685 0.030 2 454 43 43 LYS HD2 H 1.307 0.030 2 455 43 43 LYS HD3 H 1.421 0.030 2 456 43 43 LYS HE2 H 2.492 0.030 2 457 43 43 LYS HE3 H 2.649 0.030 2 458 43 43 LYS C C 178.380 0.300 1 459 43 43 LYS CA C 58.633 0.300 1 460 43 43 LYS CB C 33.253 0.300 1 461 43 43 LYS CG C 24.311 0.300 1 462 43 43 LYS CD C 29.500 0.300 1 463 43 43 LYS CE C 42.140 0.300 1 464 43 43 LYS N N 118.159 0.300 1 465 44 44 TRP H H 7.791 0.030 1 466 44 44 TRP HA H 4.838 0.030 1 467 44 44 TRP HB2 H 3.000 0.030 2 468 44 44 TRP HB3 H 3.682 0.030 2 469 44 44 TRP HD1 H 7.238 0.030 1 470 44 44 TRP HE1 H 10.457 0.030 1 471 44 44 TRP HE3 H 7.635 0.030 1 472 44 44 TRP HZ2 H 7.493 0.030 1 473 44 44 TRP HZ3 H 6.926 0.030 1 474 44 44 TRP HH2 H 7.208 0.030 1 475 44 44 TRP C C 173.811 0.300 1 476 44 44 TRP CA C 56.798 0.300 1 477 44 44 TRP CB C 30.629 0.300 1 478 44 44 TRP CD1 C 126.045 0.300 1 479 44 44 TRP CE3 C 120.247 0.300 1 480 44 44 TRP CZ2 C 115.030 0.300 1 481 44 44 TRP CZ3 C 120.978 0.300 1 482 44 44 TRP CH2 C 124.806 0.300 1 483 44 44 TRP N N 114.807 0.300 1 484 44 44 TRP NE1 N 127.473 0.300 1 485 45 45 HIS H H 7.550 0.030 1 486 45 45 HIS HA H 3.442 0.030 1 487 45 45 HIS HB2 H 2.638 0.030 2 488 45 45 HIS HB3 H 3.134 0.030 2 489 45 45 HIS HD2 H 6.649 0.030 1 490 45 45 HIS HE1 H 7.696 0.030 1 491 45 45 HIS CA C 56.609 0.300 1 492 45 45 HIS CB C 30.254 0.300 1 493 45 45 HIS CD2 C 118.294 0.300 1 494 45 45 HIS CE1 C 138.843 0.300 1 495 45 45 HIS N N 120.480 0.300 1 496 46 46 PRO HA H 4.002 0.030 1 497 46 46 PRO HB2 H 1.826 0.030 2 498 46 46 PRO HB3 H 1.945 0.030 2 499 46 46 PRO HG2 H 1.601 0.030 2 500 46 46 PRO HG3 H 1.733 0.030 2 501 46 46 PRO HD2 H 1.788 0.030 2 502 46 46 PRO HD3 H 2.738 0.030 2 503 46 46 PRO CA C 65.692 0.300 1 504 46 46 PRO CB C 31.844 0.300 1 505 46 46 PRO CD C 49.998 0.300 1 506 47 47 ASP H H 10.470 0.030 1 507 47 47 ASP HA H 4.552 0.030 1 508 47 47 ASP HB2 H 2.677 0.030 2 509 47 47 ASP HB3 H 2.744 0.030 2 510 47 47 ASP CA C 56.355 0.300 1 511 47 47 ASP CB C 40.267 0.300 1 512 47 47 ASP N N 120.822 0.300 1 513 48 48 LYS H H 7.901 0.030 1 514 48 48 LYS HA H 4.434 0.030 1 515 48 48 LYS HB2 H 1.863 0.030 2 516 48 48 LYS HB3 H 2.106 0.030 2 517 48 48 LYS HG2 H 1.334 0.030 2 518 48 48 LYS HG3 H 1.564 0.030 2 519 48 48 LYS HD2 H 1.574 0.030 2 520 48 48 LYS HD3 H 1.650 0.030 2 521 48 48 LYS HE2 H 2.830 0.030 2 522 48 48 LYS HE3 H 2.963 0.030 2 523 48 48 LYS C C 175.674 0.300 1 524 48 48 LYS CA C 54.678 0.300 1 525 48 48 LYS CB C 32.268 0.300 1 526 48 48 LYS CG C 24.624 0.300 1 527 48 48 LYS CD C 28.117 0.300 1 528 48 48 LYS CE C 42.239 0.300 1 529 48 48 LYS N N 117.173 0.300 1 530 49 49 ASN H H 7.715 0.030 1 531 49 49 ASN HA H 5.171 0.030 1 532 49 49 ASN HB2 H 2.320 0.030 2 533 49 49 ASN HB3 H 2.753 0.030 2 534 49 49 ASN HD21 H 7.330 0.030 1 535 49 49 ASN HD22 H 7.330 0.030 1 536 49 49 ASN CA C 52.217 0.300 1 537 49 49 ASN CB C 41.551 0.300 1 538 49 49 ASN N N 118.650 0.300 1 539 49 49 ASN ND2 N 115.492 0.300 1 540 50 50 PRO HA H 4.442 0.030 1 541 50 50 PRO HB2 H 2.028 0.030 2 542 50 50 PRO HB3 H 2.273 0.030 2 543 50 50 PRO HG2 H 1.987 0.030 2 544 50 50 PRO HG3 H 2.032 0.030 2 545 50 50 PRO HD2 H 3.429 0.030 2 546 50 50 PRO HD3 H 3.724 0.030 2 547 50 50 PRO CA C 64.980 0.300 1 548 50 50 PRO CB C 31.475 0.300 1 549 50 50 PRO CG C 27.426 0.300 1 550 50 50 PRO CD C 50.633 0.300 1 551 51 51 GLU H H 8.651 0.030 1 552 51 51 GLU HA H 4.346 0.030 1 553 51 51 GLU HB2 H 1.954 0.030 2 554 51 51 GLU HB3 H 2.097 0.030 2 555 51 51 GLU HG2 H 2.287 0.030 1 556 51 51 GLU HG3 H 2.287 0.030 1 557 51 51 GLU C C 176.343 0.300 1 558 51 51 GLU CA C 57.223 0.300 1 559 51 51 GLU CB C 29.404 0.300 1 560 51 51 GLU CG C 36.412 0.300 1 561 51 51 GLU N N 117.643 0.300 1 562 52 52 ASN H H 7.982 0.030 1 563 52 52 ASN HA H 5.049 0.030 1 564 52 52 ASN HB2 H 2.670 0.030 2 565 52 52 ASN HB3 H 2.934 0.030 2 566 52 52 ASN HD21 H 6.942 0.030 2 567 52 52 ASN HD22 H 7.825 0.030 2 568 52 52 ASN CA C 52.423 0.300 1 569 52 52 ASN CB C 39.266 0.300 1 570 52 52 ASN N N 118.902 0.300 1 571 52 52 ASN ND2 N 112.535 0.300 1 572 53 53 HIS H H 8.065 0.030 1 573 53 53 HIS HA H 4.241 0.030 1 574 53 53 HIS HB2 H 3.235 0.030 2 575 53 53 HIS HB3 H 3.363 0.030 2 576 53 53 HIS HD2 H 7.310 0.030 1 577 53 53 HIS C C 176.314 0.300 1 578 53 53 HIS CA C 60.206 0.300 1 579 53 53 HIS CB C 29.598 0.300 1 580 53 53 HIS CD2 C 120.835 0.300 1 581 54 54 ASP H H 8.605 0.030 1 582 54 54 ASP HA H 4.481 0.030 1 583 54 54 ASP HB2 H 2.741 0.030 1 584 54 54 ASP HB3 H 2.741 0.030 1 585 54 54 ASP C C 178.845 0.300 1 586 54 54 ASP CA C 57.456 0.300 1 587 54 54 ASP CB C 40.267 0.300 1 588 54 54 ASP N N 119.069 0.300 1 589 55 55 ILE H H 8.107 0.030 1 590 55 55 ILE HA H 3.990 0.030 1 591 55 55 ILE HB H 1.918 0.030 1 592 55 55 ILE HG12 H 1.193 0.030 2 593 55 55 ILE HG13 H 1.583 0.030 2 594 55 55 ILE HG2 H 0.974 0.030 1 595 55 55 ILE HD1 H 0.907 0.030 1 596 55 55 ILE C C 177.449 0.300 1 597 55 55 ILE CA C 63.556 0.300 1 598 55 55 ILE CB C 37.897 0.300 1 599 55 55 ILE CG1 C 28.611 0.300 1 600 55 55 ILE CG2 C 17.452 0.300 1 601 55 55 ILE CD1 C 12.870 0.300 1 602 55 55 ILE N N 119.897 0.300 1 603 56 56 ALA H H 8.236 0.030 1 604 56 56 ALA HA H 4.366 0.030 1 605 56 56 ALA HB H 1.662 0.030 1 606 56 56 ALA C C 178.729 0.300 1 607 56 56 ALA CA C 56.131 0.300 1 608 56 56 ALA CB C 18.048 0.300 1 609 56 56 ALA N N 121.992 0.300 1 610 57 57 ASN H H 8.451 0.030 1 611 57 57 ASN HA H 4.409 0.030 1 612 57 57 ASN HB2 H 2.766 0.030 2 613 57 57 ASN HB3 H 2.854 0.030 2 614 57 57 ASN HD21 H 6.826 0.030 2 615 57 57 ASN HD22 H 7.675 0.030 2 616 57 57 ASN C C 177.623 0.300 1 617 57 57 ASN CA C 56.741 0.300 1 618 57 57 ASN CB C 38.786 0.300 1 619 57 57 ASN N N 114.464 0.300 1 620 57 57 ASN ND2 N 112.233 0.300 1 621 58 58 GLU H H 7.601 0.030 1 622 58 58 GLU HA H 4.095 0.030 1 623 58 58 GLU HB2 H 2.051 0.030 2 624 58 58 GLU HB3 H 2.146 0.030 2 625 58 58 GLU HG2 H 2.301 0.030 2 626 58 58 GLU HG3 H 2.412 0.030 2 627 58 58 GLU C C 179.602 0.300 1 628 58 58 GLU CA C 59.327 0.300 1 629 58 58 GLU CB C 29.799 0.300 1 630 58 58 GLU CG C 36.116 0.300 1 631 58 58 GLU N N 118.408 0.300 1 632 59 59 VAL H H 8.475 0.030 1 633 59 59 VAL HA H 3.212 0.030 1 634 59 59 VAL HB H 1.503 0.030 1 635 59 59 VAL HG1 H -0.401 0.030 1 636 59 59 VAL HG2 H 0.346 0.030 1 637 59 59 VAL C C 177.216 0.300 1 638 59 59 VAL CA C 66.656 0.300 1 639 59 59 VAL CB C 31.503 0.300 1 640 59 59 VAL CG1 C 21.018 0.300 2 641 59 59 VAL CG2 C 22.389 0.300 2 642 59 59 VAL N N 121.519 0.300 1 643 60 60 PHE H H 9.262 0.030 1 644 60 60 PHE HA H 4.022 0.030 1 645 60 60 PHE HB2 H 3.015 0.030 2 646 60 60 PHE HB3 H 3.619 0.030 2 647 60 60 PHE HD1 H 7.038 0.030 1 648 60 60 PHE HD2 H 7.038 0.030 1 649 60 60 PHE HE1 H 7.038 0.030 1 650 60 60 PHE HE2 H 7.038 0.030 1 651 60 60 PHE HZ H 7.121 0.030 1 652 60 60 PHE C C 177.623 0.300 1 653 60 60 PHE CA C 62.045 0.300 1 654 60 60 PHE CB C 39.477 0.300 1 655 60 60 PHE CD1 C 131.324 0.300 1 656 60 60 PHE CD2 C 131.324 0.300 1 657 60 60 PHE CE1 C 131.324 0.300 1 658 60 60 PHE CE2 C 131.324 0.300 1 659 60 60 PHE CZ C 130.152 0.300 1 660 60 60 PHE N N 121.151 0.300 1 661 61 61 LYS H H 7.884 0.030 1 662 61 61 LYS HA H 3.964 0.030 1 663 61 61 LYS HB2 H 1.881 0.030 1 664 61 61 LYS HB3 H 1.881 0.030 1 665 61 61 LYS HG2 H 1.488 0.030 2 666 61 61 LYS HG3 H 1.716 0.030 2 667 61 61 LYS HD2 H 1.735 0.030 1 668 61 61 LYS HD3 H 1.735 0.030 1 669 61 61 LYS HE2 H 3.014 0.030 1 670 61 61 LYS HE3 H 3.014 0.030 1 671 61 61 LYS C C 178.554 0.300 1 672 61 61 LYS CA C 59.528 0.300 1 673 61 61 LYS CB C 32.367 0.300 1 674 61 61 LYS CG C 25.154 0.300 1 675 61 61 LYS CD C 29.401 0.300 1 676 61 61 LYS CE C 42.041 0.300 1 677 61 61 LYS N N 117.888 0.300 1 678 62 62 HIS H H 7.647 0.030 1 679 62 62 HIS HA H 4.393 0.030 1 680 62 62 HIS HB2 H 2.983 0.030 2 681 62 62 HIS HB3 H 3.254 0.030 2 682 62 62 HIS HD2 H 6.454 0.030 1 683 62 62 HIS HE1 H 7.482 0.030 1 684 62 62 HIS C C 176.576 0.300 1 685 62 62 HIS CA C 59.871 0.300 1 686 62 62 HIS CB C 31.608 0.300 1 687 62 62 HIS CD2 C 115.984 0.300 1 688 62 62 HIS CE1 C 138.606 0.300 1 689 62 62 HIS N N 119.649 0.300 1 690 63 63 LEU H H 8.814 0.030 1 691 63 63 LEU HA H 3.541 0.030 1 692 63 63 LEU HB2 H 1.265 0.030 2 693 63 63 LEU HB3 H 2.121 0.030 2 694 63 63 LEU HG H 1.452 0.030 1 695 63 63 LEU HD1 H 0.860 0.030 1 696 63 63 LEU HD2 H 0.855 0.030 1 697 63 63 LEU C C 177.565 0.300 1 698 63 63 LEU CA C 58.576 0.300 1 699 63 63 LEU CB C 41.571 0.300 1 700 63 63 LEU CG C 27.051 0.300 1 701 63 63 LEU CD1 C 24.893 0.300 2 702 63 63 LEU CD2 C 26.572 0.300 2 703 63 63 LEU N N 119.572 0.300 1 704 64 64 GLN H H 7.865 0.030 1 705 64 64 GLN HA H 3.834 0.030 1 706 64 64 GLN HB2 H 1.900 0.030 2 707 64 64 GLN HB3 H 2.014 0.030 2 708 64 64 GLN HG2 H 1.910 0.030 2 709 64 64 GLN HG3 H 2.003 0.030 2 710 64 64 GLN HE21 H 6.845 0.030 2 711 64 64 GLN HE22 H 6.684 0.030 2 712 64 64 GLN C C 178.816 0.300 1 713 64 64 GLN CA C 59.213 0.300 1 714 64 64 GLN CB C 29.108 0.300 1 715 64 64 GLN CG C 34.339 0.300 1 716 64 64 GLN N N 115.593 0.300 1 717 64 64 GLN NE2 N 112.524 0.300 1 718 65 65 ASN H H 8.196 0.030 1 719 65 65 ASN HA H 4.387 0.030 1 720 65 65 ASN HB2 H 2.877 0.030 2 721 65 65 ASN HB3 H 3.066 0.030 2 722 65 65 ASN HD21 H 6.785 0.030 2 723 65 65 ASN HD22 H 7.723 0.030 2 724 65 65 ASN C C 178.554 0.300 1 725 65 65 ASN CA C 55.969 0.300 1 726 65 65 ASN CB C 37.839 0.300 1 727 65 65 ASN N N 119.000 0.300 1 728 65 65 ASN ND2 N 111.891 0.300 1 729 66 66 GLU H H 8.720 0.030 1 730 66 66 GLU HA H 4.631 0.030 1 731 66 66 GLU HB2 H 1.589 0.030 2 732 66 66 GLU HB3 H 1.899 0.030 2 733 66 66 GLU HG2 H 1.221 0.030 2 734 66 66 GLU HG3 H 1.640 0.030 2 735 66 66 GLU C C 178.293 0.300 1 736 66 66 GLU CA C 57.591 0.300 1 737 66 66 GLU CB C 29.898 0.300 1 738 66 66 GLU CG C 35.820 0.300 1 739 66 66 GLU N N 122.331 0.300 1 740 67 67 ILE H H 8.288 0.030 1 741 67 67 ILE HA H 3.353 0.030 1 742 67 67 ILE HB H 1.863 0.030 1 743 67 67 ILE HG12 H 1.120 0.030 1 744 67 67 ILE HG13 H 1.120 0.030 1 745 67 67 ILE HG2 H 1.060 0.030 1 746 67 67 ILE HD1 H 0.945 0.030 1 747 67 67 ILE C C 177.623 0.300 1 748 67 67 ILE CA C 65.606 0.300 1 749 67 67 ILE CB C 38.193 0.300 1 750 67 67 ILE CG1 C 29.761 0.300 1 751 67 67 ILE CG2 C 17.208 0.300 1 752 67 67 ILE CD1 C 14.706 0.300 1 753 67 67 ILE N N 120.517 0.300 1 754 68 68 ASN H H 7.723 0.030 1 755 68 68 ASN HA H 4.384 0.030 1 756 68 68 ASN HB2 H 2.762 0.030 2 757 68 68 ASN HB3 H 2.867 0.030 2 758 68 68 ASN HD21 H 6.910 0.030 2 759 68 68 ASN HD22 H 7.707 0.030 2 760 68 68 ASN C C 177.099 0.300 1 761 68 68 ASN CA C 56.463 0.300 1 762 68 68 ASN CB C 38.490 0.300 1 763 68 68 ASN N N 116.251 0.300 1 764 68 68 ASN ND2 N 112.213 0.300 1 765 69 69 ARG H H 8.140 0.030 1 766 69 69 ARG HA H 3.908 0.030 1 767 69 69 ARG HB2 H 1.698 0.030 2 768 69 69 ARG HB3 H 2.082 0.030 2 769 69 69 ARG HG2 H 1.285 0.030 2 770 69 69 ARG HG3 H 1.455 0.030 2 771 69 69 ARG HD2 H 2.959 0.030 2 772 69 69 ARG HD3 H 3.359 0.030 2 773 69 69 ARG HE H 8.248 0.030 1 774 69 69 ARG C C 178.758 0.300 1 775 69 69 ARG CA C 59.599 0.300 1 776 69 69 ARG CB C 30.491 0.300 1 777 69 69 ARG CG C 27.228 0.300 1 778 69 69 ARG CD C 43.325 0.300 1 779 69 69 ARG N N 120.926 0.300 1 780 69 69 ARG NE N 81.957 0.300 1 781 70 70 LEU H H 7.869 0.030 1 782 70 70 LEU HA H 3.590 0.030 1 783 70 70 LEU HB2 H -0.318 0.030 2 784 70 70 LEU HB3 H 0.665 0.030 2 785 70 70 LEU HG H 1.290 0.030 1 786 70 70 LEU HD1 H 0.562 0.030 1 787 70 70 LEU HD2 H 0.479 0.030 1 788 70 70 LEU C C 178.845 0.300 1 789 70 70 LEU CA C 56.463 0.300 1 790 70 70 LEU CB C 38.387 0.300 1 791 70 70 LEU CG C 27.456 0.300 1 792 70 70 LEU CD1 C 22.235 0.300 2 793 70 70 LEU CD2 C 25.521 0.300 2 794 70 70 LEU N N 121.856 0.300 1 795 71 71 GLU H H 8.249 0.030 1 796 71 71 GLU HA H 4.076 0.030 1 797 71 71 GLU HB2 H 2.064 0.030 2 798 71 71 GLU HB3 H 2.135 0.030 2 799 71 71 GLU HG2 H 2.446 0.030 2 800 71 71 GLU HG3 H 2.644 0.030 2 801 71 71 GLU C C 179.457 0.300 1 802 71 71 GLU CA C 59.380 0.300 1 803 71 71 GLU CB C 29.876 0.300 1 804 71 71 GLU CG C 37.242 0.300 1 805 71 71 GLU N N 119.985 0.300 1 806 72 72 LYS H H 7.806 0.030 1 807 72 72 LYS HA H 4.158 0.030 1 808 72 72 LYS HB2 H 1.896 0.030 1 809 72 72 LYS HB3 H 1.896 0.030 1 810 72 72 LYS HG2 H 1.431 0.030 2 811 72 72 LYS HG3 H 1.552 0.030 2 812 72 72 LYS HD2 H 1.662 0.030 2 813 72 72 LYS HD3 H 1.748 0.030 2 814 72 72 LYS HE2 H 2.963 0.030 1 815 72 72 LYS HE3 H 2.963 0.030 1 816 72 72 LYS C C 178.554 0.300 1 817 72 72 LYS CA C 58.493 0.300 1 818 72 72 LYS CB C 32.169 0.300 1 819 72 72 LYS CG C 25.056 0.300 1 820 72 72 LYS CD C 29.105 0.300 1 821 72 72 LYS CE C 42.140 0.300 1 822 72 72 LYS N N 118.715 0.300 1 823 73 73 GLN H H 7.833 0.030 1 824 73 73 GLN HA H 4.013 0.030 1 825 73 73 GLN HB2 H 2.040 0.030 1 826 73 73 GLN HB3 H 2.040 0.030 1 827 73 73 GLN HG2 H 2.365 0.030 2 828 73 73 GLN HG3 H 2.423 0.030 2 829 73 73 GLN HE21 H 6.855 0.030 2 830 73 73 GLN HE22 H 7.510 0.030 2 831 73 73 GLN C C 177.012 0.300 1 832 73 73 GLN CA C 57.819 0.300 1 833 73 73 GLN CB C 28.812 0.300 1 834 73 73 GLN CG C 33.944 0.300 1 835 73 73 GLN N N 118.845 0.300 1 836 73 73 GLN NE2 N 112.143 0.300 1 837 74 74 ALA H H 7.944 0.030 1 838 74 74 ALA HA H 4.260 0.030 1 839 74 74 ALA HB H 1.491 0.030 1 840 74 74 ALA C C 179.078 0.300 1 841 74 74 ALA CA C 54.093 0.300 1 842 74 74 ALA CB C 18.739 0.300 1 843 74 74 ALA N N 121.789 0.300 1 844 75 75 PHE H H 7.853 0.030 1 845 75 75 PHE HA H 4.491 0.030 1 846 75 75 PHE HB2 H 3.196 0.030 2 847 75 75 PHE HB3 H 3.267 0.030 2 848 75 75 PHE HD1 H 7.308 0.030 1 849 75 75 PHE HD2 H 7.308 0.030 1 850 75 75 PHE HE1 H 7.397 0.030 1 851 75 75 PHE HE2 H 7.397 0.030 1 852 75 75 PHE C C 177.099 0.300 1 853 75 75 PHE CA C 59.375 0.300 1 854 75 75 PHE CB C 39.163 0.300 1 855 75 75 PHE CD1 C 131.810 0.300 1 856 75 75 PHE CD2 C 131.810 0.300 1 857 75 75 PHE CE1 C 131.632 0.300 1 858 75 75 PHE CE2 C 131.632 0.300 1 859 75 75 PHE N N 118.183 0.300 1 860 76 76 LEU H H 7.994 0.030 1 861 76 76 LEU HA H 4.168 0.030 1 862 76 76 LEU HB2 H 1.589 0.030 2 863 76 76 LEU HB3 H 1.807 0.030 2 864 76 76 LEU HG H 1.781 0.030 1 865 76 76 LEU HD1 H 0.915 0.030 1 866 76 76 LEU HD2 H 0.915 0.030 1 867 76 76 LEU C C 178.322 0.300 1 868 76 76 LEU CA C 56.456 0.300 1 869 76 76 LEU CB C 42.075 0.300 1 870 76 76 LEU CG C 26.833 0.300 1 871 76 76 LEU CD1 C 23.278 0.300 2 872 76 76 LEU CD2 C 25.154 0.300 2 873 76 76 LEU N N 121.656 0.300 1 874 77 77 ASP H H 8.312 0.030 1 875 77 77 ASP HA H 4.516 0.030 1 876 77 77 ASP HB2 H 2.723 0.030 1 877 77 77 ASP HB3 H 2.723 0.030 1 878 77 77 ASP C C 177.420 0.300 1 879 77 77 ASP CA C 55.402 0.300 1 880 77 77 ASP CB C 40.959 0.300 1 881 77 77 ASP N N 120.383 0.300 1 882 78 78 GLN H H 8.155 0.030 1 883 78 78 GLN HA H 4.223 0.030 1 884 78 78 GLN HB2 H 2.057 0.030 2 885 78 78 GLN HB3 H 2.155 0.030 2 886 78 78 GLN HG2 H 2.364 0.030 2 887 78 78 GLN HG3 H 2.421 0.030 2 888 78 78 GLN HE21 H 6.872 0.030 2 889 78 78 GLN HE22 H 7.638 0.030 2 890 78 78 GLN C C 176.576 0.300 1 891 78 78 GLN CA C 57.006 0.300 1 892 78 78 GLN CB C 29.009 0.300 1 893 78 78 GLN CG C 33.845 0.300 1 894 78 78 GLN N N 119.894 0.300 1 895 78 78 GLN NE2 N 113.317 0.300 1 896 79 79 ASN H H 8.174 0.030 1 897 79 79 ASN HA H 4.656 0.030 1 898 79 79 ASN HB2 H 2.686 0.030 2 899 79 79 ASN HB3 H 2.778 0.030 2 900 79 79 ASN HD21 H 6.801 0.030 2 901 79 79 ASN HD22 H 7.529 0.030 2 902 79 79 ASN C C 175.528 0.300 1 903 79 79 ASN CA C 53.833 0.300 1 904 79 79 ASN CB C 39.082 0.300 1 905 79 79 ASN N N 118.223 0.300 1 906 79 79 ASN ND2 N 113.632 0.300 1 907 80 80 ALA H H 8.038 0.030 1 908 80 80 ALA HA H 4.241 0.030 1 909 80 80 ALA HB H 1.442 0.030 1 910 80 80 ALA C C 178.060 0.300 1 911 80 80 ALA CA C 53.497 0.300 1 912 80 80 ALA CB C 19.134 0.300 1 913 80 80 ALA N N 123.930 0.300 1 914 81 81 ASP H H 8.273 0.030 1 915 81 81 ASP HA H 4.560 0.030 1 916 81 81 ASP HB2 H 2.710 0.030 1 917 81 81 ASP HB3 H 2.710 0.030 1 918 81 81 ASP C C 177.070 0.300 1 919 81 81 ASP CA C 54.842 0.300 1 920 81 81 ASP CB C 41.156 0.300 1 921 81 81 ASP N N 118.889 0.300 1 922 82 82 ARG H H 8.144 0.030 1 923 82 82 ARG HA H 4.223 0.030 1 924 82 82 ARG HB2 H 1.820 0.030 2 925 82 82 ARG HB3 H 1.901 0.030 2 926 82 82 ARG HG2 H 1.670 0.030 1 927 82 82 ARG HG3 H 1.670 0.030 1 928 82 82 ARG HD2 H 3.218 0.030 1 929 82 82 ARG HD3 H 3.218 0.030 1 930 82 82 ARG C C 176.925 0.300 1 931 82 82 ARG CA C 57.056 0.300 1 932 82 82 ARG CB C 30.491 0.300 1 933 82 82 ARG CG C 27.031 0.300 1 934 82 82 ARG CD C 43.325 0.300 1 935 82 82 ARG N N 121.055 0.300 1 936 83 83 ALA H H 8.211 0.030 1 937 83 83 ALA HA H 4.296 0.030 1 938 83 83 ALA HB H 1.424 0.030 1 939 83 83 ALA C C 178.293 0.300 1 940 83 83 ALA CA C 53.303 0.300 1 941 83 83 ALA CB C 19.134 0.300 1 942 83 83 ALA N N 123.130 0.300 1 943 84 84 SER H H 8.079 0.030 1 944 84 84 SER HA H 4.412 0.030 1 945 84 84 SER HB2 H 3.912 0.030 1 946 84 84 SER HB3 H 3.912 0.030 1 947 84 84 SER C C 174.568 0.300 1 948 84 84 SER CA C 58.694 0.300 1 949 84 84 SER CB C 63.870 0.300 1 950 84 84 SER N N 114.016 0.300 1 951 85 85 ARG H H 8.087 0.030 1 952 85 85 ARG HA H 4.351 0.030 1 953 85 85 ARG HB2 H 1.808 0.030 1 954 85 85 ARG HB3 H 1.808 0.030 1 955 85 85 ARG HG2 H 1.638 0.030 1 956 85 85 ARG HG3 H 1.638 0.030 1 957 85 85 ARG HD2 H 3.188 0.030 1 958 85 85 ARG HD3 H 3.188 0.030 1 959 85 85 ARG C C 176.023 0.300 1 960 85 85 ARG CA C 56.068 0.300 1 961 85 85 ARG CB C 30.787 0.300 1 962 85 85 ARG CG C 26.932 0.300 1 963 85 85 ARG CD C 43.325 0.300 1 964 85 85 ARG N N 122.390 0.300 1 965 86 86 ARG H H 8.295 0.030 1 966 86 86 ARG HA H 4.351 0.030 1 967 86 86 ARG HB2 H 1.772 0.030 1 968 86 86 ARG HB3 H 1.772 0.030 1 969 86 86 ARG HG2 H 1.565 0.030 1 970 86 86 ARG HG3 H 1.565 0.030 1 971 86 86 ARG HD2 H 3.150 0.030 1 972 86 86 ARG HD3 H 3.150 0.030 1 973 86 86 ARG C C 176.256 0.300 1 974 86 86 ARG CA C 56.262 0.300 1 975 86 86 ARG CB C 31.080 0.300 1 976 86 86 ARG CG C 26.932 0.300 1 977 86 86 ARG CD C 43.325 0.300 1 978 86 86 ARG N N 122.403 0.300 1 979 87 87 THR H H 8.114 0.030 1 980 87 87 THR HA H 4.322 0.030 1 981 87 87 THR HB H 4.218 0.030 1 982 87 87 THR HG2 H 1.154 0.030 1 983 87 87 THR C C 173.229 0.300 1 984 87 87 THR CA C 61.570 0.300 1 985 87 87 THR CB C 69.992 0.300 1 986 87 87 THR CG2 C 21.500 0.300 1 987 87 87 THR N N 115.257 0.300 1 988 88 88 PHE H H 7.785 0.030 1 989 88 88 PHE HA H 4.448 0.030 1 990 88 88 PHE CA C 59.113 0.300 1 991 88 88 PHE CB C 40.366 0.300 1 992 88 88 PHE N N 126.738 0.300 1 stop_ save_