data_11273 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the Novel Identified UBA-like Domain in the N-terminal of Human Fas Associated Factor 1 Protein ; _BMRB_accession_number 11273 _BMRB_flat_file_name bmr11273.str _Entry_type original _Submission_date 2010-08-09 _Accession_date 2010-08-09 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhao C. . . 2 Kigawa T. . . 3 Tomizawa T. . . 4 Koshiba S. . . 5 Inoue M. . . 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" 272 "13C chemical shifts" 211 "15N chemical shifts" 54 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-18 original author . stop_ _Original_release_date 2011-08-18 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of the Novel Identified UBA-like Domain in the N-terminal of Human Fas Associated Factor 1 Protein ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhao C. . . 2 Kigawa T. . . 3 Tomizawa T. . . 4 Koshiba S. . . 5 Inoue M. . . 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 'Protein KIAA0794' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'UBA-like domain' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'UBA-like domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 62 _Mol_residue_sequence ; GSSGSSGGSAASSALKGLIQ QFTTITGASESVGKHMLEAC NNNLEMAVTMFLDGGGSGPS SG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLY 9 SER 10 ALA 11 ALA 12 SER 13 SER 14 ALA 15 LEU 16 LYS 17 GLY 18 LEU 19 ILE 20 GLN 21 GLN 22 PHE 23 THR 24 THR 25 ILE 26 THR 27 GLY 28 ALA 29 SER 30 GLU 31 SER 32 VAL 33 GLY 34 LYS 35 HIS 36 MET 37 LEU 38 GLU 39 ALA 40 CYS 41 ASN 42 ASN 43 ASN 44 LEU 45 GLU 46 MET 47 ALA 48 VAL 49 THR 50 MET 51 PHE 52 LEU 53 ASP 54 GLY 55 GLY 56 GLY 57 SER 58 GLY 59 PRO 60 SER 61 SER 62 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 2DAL "Solution Structure Of The Novel Identified Uba-Like Domain In The N-Terminal Of Human Fas Associated Factor 1 Protein" 100.00 62 100.00 100.00 3.75e-33 GB EDM11425 "rCG52671, isoform CRA_a [Rattus norvegicus]" 67.74 490 97.62 97.62 6.37e-19 GB EDM11426 "rCG52671, isoform CRA_b [Rattus norvegicus]" 67.74 468 97.62 97.62 5.50e-19 GB EDM11427 "rCG52671, isoform CRA_c [Rattus norvegicus]" 67.74 106 97.62 97.62 3.63e-20 GB KFM11413 "UBX domain-containing protein 7, partial [Aptenodytes forsteri]" 51.61 468 100.00 100.00 1.62e-12 GB KFO08321 "UBX domain-containing protein 7, partial [Balearica regulorum gibbericeps]" 51.61 468 100.00 100.00 1.62e-12 REF NP_001100556 "UBX domain-containing protein 7 [Rattus norvegicus]" 67.74 106 97.62 97.62 3.63e-20 REF XP_003477156 "PREDICTED: LOW QUALITY PROTEIN: UBX domain-containing protein 7 [Cavia porcellus]" 67.74 490 97.62 97.62 6.37e-19 REF XP_004003056 "PREDICTED: UBX domain-containing protein 7 [Ovis aries]" 67.74 489 97.62 97.62 6.33e-19 REF XP_004644633 "PREDICTED: UBX domain-containing protein 7 [Octodon degus]" 67.74 488 97.62 97.62 7.92e-19 REF XP_004712317 "PREDICTED: UBX domain-containing protein 7 [Echinops telfairi]" 67.74 489 97.62 97.62 6.33e-19 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 P050815-24 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.26mM UBA-like domain U-15N, {13C;} 20mM d-Tris-HCl (pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;90%} H2O, 10%D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.26 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 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 0.9321 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.8 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 700 _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 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 'UBA-like domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 10 10 ALA HA H 4.303 0.030 1 2 10 10 ALA HB H 1.406 0.030 1 3 10 10 ALA C C 178.194 0.300 1 4 10 10 ALA CA C 53.003 0.300 1 5 10 10 ALA CB C 19.014 0.300 1 6 11 11 ALA H H 8.246 0.030 1 7 11 11 ALA HA H 4.296 0.030 1 8 11 11 ALA HB H 1.407 0.030 1 9 11 11 ALA C C 178.509 0.300 1 10 11 11 ALA CA C 53.144 0.300 1 11 11 11 ALA CB C 19.014 0.300 1 12 11 11 ALA N N 122.802 0.300 1 13 12 12 SER H H 8.239 0.030 1 14 12 12 SER HA H 4.396 0.030 1 15 12 12 SER HB2 H 4.008 0.030 2 16 12 12 SER HB3 H 3.915 0.030 2 17 12 12 SER C C 175.626 0.300 1 18 12 12 SER CA C 58.973 0.300 1 19 12 12 SER CB C 63.674 0.300 1 20 12 12 SER N N 115.084 0.300 1 21 13 13 SER H H 8.147 0.030 1 22 13 13 SER HA H 4.359 0.030 1 23 13 13 SER HB2 H 3.917 0.030 2 24 13 13 SER HB3 H 3.964 0.030 2 25 13 13 SER C C 175.819 0.300 1 26 13 13 SER CA C 59.744 0.300 1 27 13 13 SER CB C 63.263 0.300 1 28 14 14 ALA H H 8.350 0.030 1 29 14 14 ALA HA H 4.302 0.030 1 30 14 14 ALA HB H 1.455 0.030 1 31 14 14 ALA C C 179.430 0.300 1 32 14 14 ALA CA C 53.850 0.300 1 33 14 14 ALA CB C 18.559 0.300 1 34 14 14 ALA N N 125.674 0.300 1 35 15 15 LEU H H 8.013 0.030 1 36 15 15 LEU HA H 4.168 0.030 1 37 15 15 LEU HB2 H 1.644 0.030 2 38 15 15 LEU HB3 H 1.740 0.030 2 39 15 15 LEU HD1 H 0.937 0.030 1 40 15 15 LEU HD2 H 0.915 0.030 1 41 15 15 LEU HG H 1.630 0.030 1 42 15 15 LEU C C 178.025 0.300 1 43 15 15 LEU CA C 57.097 0.300 1 44 15 15 LEU CB C 41.714 0.300 1 45 15 15 LEU CD1 C 23.949 0.300 2 46 15 15 LEU CD2 C 24.771 0.300 2 47 15 15 LEU CG C 27.074 0.300 1 48 15 15 LEU N N 120.442 0.300 1 49 16 16 LYS H H 8.139 0.030 1 50 16 16 LYS HA H 3.945 0.030 1 51 16 16 LYS HB2 H 1.872 0.030 1 52 16 16 LYS HB3 H 1.872 0.030 1 53 16 16 LYS HD2 H 1.674 0.030 1 54 16 16 LYS HD3 H 1.674 0.030 1 55 16 16 LYS HE2 H 2.967 0.030 1 56 16 16 LYS HE3 H 2.967 0.030 1 57 16 16 LYS HG2 H 1.400 0.030 2 58 16 16 LYS HG3 H 1.529 0.030 2 59 16 16 LYS C C 179.163 0.300 1 60 16 16 LYS CA C 59.674 0.300 1 61 16 16 LYS CB C 32.091 0.300 1 62 16 16 LYS CD C 29.339 0.300 1 63 16 16 LYS CE C 42.043 0.300 1 64 16 16 LYS CG C 25.072 0.300 1 65 16 16 LYS N N 119.325 0.300 1 66 17 17 GLY H H 8.155 0.030 1 67 17 17 GLY HA2 H 3.978 0.030 1 68 17 17 GLY HA3 H 3.978 0.030 1 69 17 17 GLY C C 176.328 0.300 1 70 17 17 GLY CA C 46.756 0.300 1 71 17 17 GLY N N 106.684 0.300 1 72 18 18 LEU H H 7.802 0.030 1 73 18 18 LEU HA H 4.215 0.030 1 74 18 18 LEU HB2 H 1.486 0.030 2 75 18 18 LEU HB3 H 1.959 0.030 2 76 18 18 LEU HD1 H 0.981 0.030 1 77 18 18 LEU HD2 H 0.952 0.030 1 78 18 18 LEU HG H 1.827 0.030 1 79 18 18 LEU C C 179.163 0.300 1 80 18 18 LEU CA C 57.944 0.300 1 81 18 18 LEU CB C 42.784 0.300 1 82 18 18 LEU CD1 C 25.816 0.300 2 83 18 18 LEU CD2 C 23.733 0.300 2 84 18 18 LEU CG C 26.745 0.300 1 85 18 18 LEU N N 123.181 0.300 1 86 19 19 ILE H H 8.501 0.030 1 87 19 19 ILE HA H 3.380 0.030 1 88 19 19 ILE HB H 1.908 0.030 1 89 19 19 ILE HD1 H 0.794 0.030 1 90 19 19 ILE HG12 H 1.716 0.030 2 91 19 19 ILE HG13 H 0.578 0.030 2 92 19 19 ILE HG2 H 0.955 0.030 1 93 19 19 ILE C C 177.855 0.300 1 94 19 19 ILE CA C 65.815 0.300 1 95 19 19 ILE CB C 37.931 0.300 1 96 19 19 ILE CD1 C 14.175 0.300 1 97 19 19 ILE CG1 C 30.285 0.300 1 98 19 19 ILE CG2 C 18.438 0.300 1 99 19 19 ILE N N 120.203 0.300 1 100 20 20 GLN H H 7.882 0.030 1 101 20 20 GLN HA H 4.189 0.030 1 102 20 20 GLN HB2 H 2.215 0.030 1 103 20 20 GLN HB3 H 2.215 0.030 1 104 20 20 GLN HE21 H 7.510 0.030 2 105 20 20 GLN HE22 H 6.839 0.030 2 106 20 20 GLN HG2 H 2.408 0.030 2 107 20 20 GLN HG3 H 2.486 0.030 2 108 20 20 GLN C C 179.309 0.300 1 109 20 20 GLN CA C 59.022 0.300 1 110 20 20 GLN CB C 27.965 0.300 1 111 20 20 GLN CG C 33.983 0.300 1 112 20 20 GLN N N 118.950 0.300 1 113 20 20 GLN NE2 N 112.078 0.300 1 114 21 21 GLN H H 8.069 0.030 1 115 21 21 GLN HA H 4.101 0.030 1 116 21 21 GLN HB2 H 2.143 0.030 2 117 21 21 GLN HB3 H 2.317 0.030 2 118 21 21 GLN HE21 H 6.773 0.030 2 119 21 21 GLN HE22 H 7.200 0.030 2 120 21 21 GLN HG2 H 2.587 0.030 2 121 21 21 GLN HG3 H 2.353 0.030 2 122 21 21 GLN C C 177.758 0.300 1 123 21 21 GLN CA C 59.532 0.300 1 124 21 21 GLN CB C 29.624 0.300 1 125 21 21 GLN CG C 34.723 0.300 1 126 21 21 GLN N N 120.289 0.300 1 127 21 21 GLN NE2 N 110.894 0.300 1 128 22 22 PHE H H 8.736 0.030 1 129 22 22 PHE HA H 3.746 0.030 1 130 22 22 PHE HB2 H 2.874 0.030 2 131 22 22 PHE HB3 H 3.430 0.030 2 132 22 22 PHE HD1 H 6.826 0.030 1 133 22 22 PHE HD2 H 6.826 0.030 1 134 22 22 PHE HE1 H 6.832 0.030 1 135 22 22 PHE HE2 H 6.832 0.030 1 136 22 22 PHE HZ H 6.826 0.030 1 137 22 22 PHE C C 179.575 0.300 1 138 22 22 PHE CA C 62.850 0.300 1 139 22 22 PHE CB C 39.247 0.300 1 140 22 22 PHE CD1 C 131.318 0.300 1 141 22 22 PHE CD2 C 131.318 0.300 1 142 22 22 PHE CE1 C 129.628 0.300 1 143 22 22 PHE CE2 C 129.628 0.300 1 144 22 22 PHE CZ C 131.361 0.300 1 145 22 22 PHE N N 119.729 0.300 1 146 23 23 THR H H 9.233 0.030 1 147 23 23 THR HA H 3.770 0.030 1 148 23 23 THR HB H 4.353 0.030 1 149 23 23 THR HG2 H 1.269 0.030 1 150 23 23 THR C C 177.685 0.300 1 151 23 23 THR CA C 66.132 0.300 1 152 23 23 THR CB C 68.741 0.300 1 153 23 23 THR CG2 C 22.007 0.300 1 154 23 23 THR N N 116.471 0.300 1 155 24 24 THR H H 8.103 0.030 1 156 24 24 THR HA H 3.926 0.030 1 157 24 24 THR HB H 4.357 0.030 1 158 24 24 THR HG2 H 1.215 0.030 1 159 24 24 THR C C 175.892 0.300 1 160 24 24 THR CA C 66.996 0.300 1 161 24 24 THR CB C 68.838 0.300 1 162 24 24 THR CG2 C 21.403 0.300 1 163 24 24 THR N N 121.662 0.300 1 164 25 25 ILE H H 7.860 0.030 1 165 25 25 ILE HA H 3.718 0.030 1 166 25 25 ILE HB H 1.498 0.030 1 167 25 25 ILE HD1 H 0.833 0.030 1 168 25 25 ILE HG12 H 1.772 0.030 2 169 25 25 ILE HG13 H 1.029 0.030 2 170 25 25 ILE HG2 H 0.810 0.030 1 171 25 25 ILE C C 177.903 0.300 1 172 25 25 ILE CA C 64.968 0.300 1 173 25 25 ILE CB C 39.658 0.300 1 174 25 25 ILE CD1 C 14.290 0.300 1 175 25 25 ILE CG1 C 29.180 0.300 1 176 25 25 ILE CG2 C 17.629 0.300 1 177 25 25 ILE N N 119.823 0.300 1 178 26 26 THR H H 7.640 0.030 1 179 26 26 THR HA H 4.069 0.030 1 180 26 26 THR HB H 3.434 0.030 1 181 26 26 THR HG2 H 0.369 0.030 1 182 26 26 THR C C 176.401 0.300 1 183 26 26 THR CA C 63.027 0.300 1 184 26 26 THR CB C 71.241 0.300 1 185 26 26 THR CG2 C 20.841 0.300 1 186 26 26 THR N N 105.315 0.300 1 187 27 27 GLY H H 8.252 0.030 1 188 27 27 GLY HA2 H 3.824 0.030 2 189 27 27 GLY HA3 H 4.162 0.030 2 190 27 27 GLY C C 173.493 0.300 1 191 27 27 GLY CA C 45.556 0.300 1 192 27 27 GLY N N 112.214 0.300 1 193 28 28 ALA H H 7.628 0.030 1 194 28 28 ALA HA H 4.437 0.030 1 195 28 28 ALA HB H 1.181 0.030 1 196 28 28 ALA C C 176.013 0.300 1 197 28 28 ALA CA C 51.133 0.300 1 198 28 28 ALA CB C 20.741 0.300 1 199 28 28 ALA N N 122.340 0.300 1 200 29 29 SER H H 8.127 0.030 1 201 29 29 SER HA H 4.432 0.030 1 202 29 29 SER HB2 H 4.369 0.030 2 203 29 29 SER HB3 H 4.053 0.030 2 204 29 29 SER C C 175.335 0.300 1 205 29 29 SER CA C 57.428 0.300 1 206 29 29 SER CB C 65.407 0.300 1 207 29 29 SER N N 112.988 0.300 1 208 30 30 GLU H H 9.009 0.030 1 209 30 30 GLU HA H 3.757 0.030 1 210 30 30 GLU HB2 H 2.015 0.030 2 211 30 30 GLU HB3 H 2.077 0.030 2 212 30 30 GLU HG2 H 2.207 0.030 2 213 30 30 GLU HG3 H 2.426 0.030 2 214 30 30 GLU C C 178.388 0.300 1 215 30 30 GLU CA C 60.027 0.300 1 216 30 30 GLU CB C 29.377 0.300 1 217 30 30 GLU CG C 36.944 0.300 1 218 30 30 GLU N N 120.388 0.300 1 219 31 31 SER H H 8.267 0.030 1 220 31 31 SER HA H 4.098 0.030 1 221 31 31 SER HB2 H 3.878 0.030 1 222 31 31 SER HB3 H 3.878 0.030 1 223 31 31 SER C C 177.346 0.300 1 224 31 31 SER CA C 61.593 0.300 1 225 31 31 SER CB C 62.332 0.300 1 226 31 31 SER N N 113.792 0.300 1 227 32 32 VAL H H 7.395 0.030 1 228 32 32 VAL HA H 3.766 0.030 1 229 32 32 VAL HB H 2.208 0.030 1 230 32 32 VAL HG1 H 1.073 0.030 1 231 32 32 VAL HG2 H 1.120 0.030 1 232 32 32 VAL C C 178.097 0.300 1 233 32 32 VAL CA C 66.309 0.300 1 234 32 32 VAL CB C 31.708 0.300 1 235 32 32 VAL CG1 C 21.792 0.300 2 236 32 32 VAL CG2 C 23.046 0.300 2 237 32 32 VAL N N 124.747 0.300 1 238 33 33 GLY H H 8.282 0.030 1 239 33 33 GLY HA2 H 2.252 0.030 2 240 33 33 GLY HA3 H 2.924 0.030 2 241 33 33 GLY C C 174.123 0.300 1 242 33 33 GLY CA C 48.434 0.300 1 243 33 33 GLY N N 106.285 0.300 1 244 34 34 LYS H H 8.462 0.030 1 245 34 34 LYS HA H 3.642 0.030 1 246 34 34 LYS HB2 H 1.803 0.030 1 247 34 34 LYS HB3 H 1.803 0.030 1 248 34 34 LYS HD2 H 1.617 0.030 1 249 34 34 LYS HD3 H 1.617 0.030 1 250 34 34 LYS HE2 H 2.887 0.030 2 251 34 34 LYS HE3 H 2.915 0.030 2 252 34 34 LYS HG2 H 1.328 0.030 1 253 34 34 LYS HG3 H 1.328 0.030 1 254 34 34 LYS C C 178.049 0.300 1 255 34 34 LYS CA C 60.380 0.300 1 256 34 34 LYS CB C 32.832 0.300 1 257 34 34 LYS CD C 29.770 0.300 1 258 34 34 LYS CE C 42.126 0.300 1 259 34 34 LYS CG C 25.265 0.300 1 260 34 34 LYS N N 120.621 0.300 1 261 35 35 HIS H H 7.425 0.030 1 262 35 35 HIS HA H 4.322 0.030 1 263 35 35 HIS HB2 H 3.199 0.030 2 264 35 35 HIS HB3 H 3.261 0.030 2 265 35 35 HIS HD2 H 6.998 0.030 1 266 35 35 HIS HE1 H 7.891 0.030 1 267 35 35 HIS C C 178.170 0.300 1 268 35 35 HIS CA C 59.462 0.300 1 269 35 35 HIS CB C 30.248 0.300 1 270 35 35 HIS CD2 C 120.543 0.300 1 271 35 35 HIS CE1 C 138.269 0.300 1 272 35 35 HIS N N 116.699 0.300 1 273 36 36 MET H H 8.558 0.030 1 274 36 36 MET HA H 4.161 0.030 1 275 36 36 MET HB2 H 1.673 0.030 2 276 36 36 MET HB3 H 1.838 0.030 2 277 36 36 MET HE H 2.246 0.030 1 278 36 36 MET HG2 H 2.713 0.030 2 279 36 36 MET HG3 H 2.843 0.030 2 280 36 36 MET C C 178.388 0.300 1 281 36 36 MET CA C 58.191 0.300 1 282 36 36 MET CB C 31.704 0.300 1 283 36 36 MET CE C 18.233 0.300 1 284 36 36 MET CG C 33.945 0.300 1 285 36 36 MET N N 117.958 0.300 1 286 37 37 LEU H H 8.338 0.030 1 287 37 37 LEU HA H 3.605 0.030 1 288 37 37 LEU HB2 H 1.362 0.030 2 289 37 37 LEU HB3 H 1.786 0.030 2 290 37 37 LEU HD1 H 0.561 0.030 1 291 37 37 LEU HD2 H 0.616 0.030 1 292 37 37 LEU HG H 1.197 0.030 1 293 37 37 LEU C C 179.939 0.300 1 294 37 37 LEU CA C 58.721 0.300 1 295 37 37 LEU CB C 40.481 0.300 1 296 37 37 LEU CD1 C 26.416 0.300 2 297 37 37 LEU CD2 C 23.444 0.300 2 298 37 37 LEU CG C 28.308 0.300 1 299 37 37 LEU N N 118.859 0.300 1 300 38 38 GLU H H 8.003 0.030 1 301 38 38 GLU HA H 3.984 0.030 1 302 38 38 GLU HB2 H 1.975 0.030 2 303 38 38 GLU HB3 H 2.154 0.030 2 304 38 38 GLU HG2 H 2.456 0.030 2 305 38 38 GLU HG3 H 2.217 0.030 2 306 38 38 GLU C C 180.157 0.300 1 307 38 38 GLU CA C 59.744 0.300 1 308 38 38 GLU CB C 29.123 0.300 1 309 38 38 GLU CG C 36.862 0.300 1 310 38 38 GLU N N 119.918 0.300 1 311 39 39 ALA H H 7.928 0.030 1 312 39 39 ALA HA H 4.166 0.030 1 313 39 39 ALA HB H 1.461 0.030 1 314 39 39 ALA C C 178.921 0.300 1 315 39 39 ALA CA C 54.415 0.300 1 316 39 39 ALA CB C 18.316 0.300 1 317 39 39 ALA N N 121.669 0.300 1 318 40 40 CYS H H 7.349 0.030 1 319 40 40 CYS HA H 4.619 0.030 1 320 40 40 CYS HB2 H 2.770 0.030 2 321 40 40 CYS HB3 H 3.293 0.030 2 322 40 40 CYS C C 174.874 0.300 1 323 40 40 CYS CA C 58.368 0.300 1 324 40 40 CYS CB C 28.955 0.300 1 325 40 40 CYS N N 112.897 0.300 1 326 41 41 ASN H H 7.914 0.030 1 327 41 41 ASN HA H 4.383 0.030 1 328 41 41 ASN HB2 H 2.668 0.030 2 329 41 41 ASN HB3 H 3.042 0.030 2 330 41 41 ASN HD21 H 7.548 0.030 2 331 41 41 ASN HD22 H 6.844 0.030 2 332 41 41 ASN C C 174.462 0.300 1 333 41 41 ASN CA C 54.733 0.300 1 334 41 41 ASN CB C 37.048 0.300 1 335 41 41 ASN N N 118.517 0.300 1 336 41 41 ASN ND2 N 112.386 0.300 1 337 42 42 ASN H H 9.062 0.030 1 338 42 42 ASN HA H 3.844 0.030 1 339 42 42 ASN HB2 H 2.863 0.030 2 340 42 42 ASN HB3 H 2.980 0.030 2 341 42 42 ASN HD21 H 6.424 0.030 2 342 42 42 ASN HD22 H 7.250 0.030 2 343 42 42 ASN C C 172.475 0.300 1 344 42 42 ASN CA C 54.697 0.300 1 345 42 42 ASN CB C 36.039 0.300 1 346 42 42 ASN N N 109.279 0.300 1 347 42 42 ASN ND2 N 109.351 0.300 1 348 43 43 ASN H H 7.279 0.030 1 349 43 43 ASN HA H 4.720 0.030 1 350 43 43 ASN HB2 H 2.734 0.030 2 351 43 43 ASN HB3 H 3.253 0.030 2 352 43 43 ASN HD21 H 7.138 0.030 2 353 43 43 ASN HD22 H 7.733 0.030 2 354 43 43 ASN C C 174.584 0.300 1 355 43 43 ASN CA C 52.791 0.300 1 356 43 43 ASN CB C 39.104 0.300 1 357 43 43 ASN N N 117.293 0.300 1 358 43 43 ASN ND2 N 113.143 0.300 1 359 44 44 LEU H H 8.522 0.030 1 360 44 44 LEU HA H 3.972 0.030 1 361 44 44 LEU HB2 H 1.521 0.030 2 362 44 44 LEU HB3 H 1.907 0.030 2 363 44 44 LEU HD1 H 1.048 0.030 1 364 44 44 LEU HD2 H 0.943 0.030 1 365 44 44 LEU HG H 1.635 0.030 1 366 44 44 LEU C C 177.079 0.300 1 367 44 44 LEU CA C 58.650 0.300 1 368 44 44 LEU CB C 42.060 0.300 1 369 44 44 LEU CD1 C 24.164 0.300 2 370 44 44 LEU CD2 C 26.354 0.300 2 371 44 44 LEU CG C 27.182 0.300 1 372 44 44 LEU N N 128.144 0.300 1 373 45 45 GLU H H 8.449 0.030 1 374 45 45 GLU HA H 3.946 0.030 1 375 45 45 GLU HB2 H 2.073 0.030 2 376 45 45 GLU HB3 H 2.170 0.030 2 377 45 45 GLU HG2 H 2.322 0.030 1 378 45 45 GLU HG3 H 2.322 0.030 1 379 45 45 GLU C C 179.939 0.300 1 380 45 45 GLU CA C 60.380 0.300 1 381 45 45 GLU CB C 29.123 0.300 1 382 45 45 GLU CG C 36.862 0.300 1 383 45 45 GLU N N 117.932 0.300 1 384 46 46 MET H H 8.141 0.030 1 385 46 46 MET HA H 4.155 0.030 1 386 46 46 MET HB2 H 2.103 0.030 1 387 46 46 MET HB3 H 2.103 0.030 1 388 46 46 MET HE H 2.150 0.030 1 389 46 46 MET HG2 H 2.626 0.030 2 390 46 46 MET HG3 H 2.678 0.030 2 391 46 46 MET C C 177.928 0.300 1 392 46 46 MET CA C 58.509 0.300 1 393 46 46 MET CB C 32.996 0.300 1 394 46 46 MET CE C 17.274 0.300 1 395 46 46 MET CG C 32.573 0.300 1 396 46 46 MET N N 119.325 0.300 1 397 47 47 ALA H H 8.418 0.030 1 398 47 47 ALA HA H 4.394 0.030 1 399 47 47 ALA HB H 1.380 0.030 1 400 47 47 ALA C C 179.624 0.300 1 401 47 47 ALA CA C 55.827 0.300 1 402 47 47 ALA CB C 18.486 0.300 1 403 47 47 ALA N N 123.749 0.300 1 404 48 48 VAL H H 8.818 0.030 1 405 48 48 VAL HA H 3.534 0.030 1 406 48 48 VAL HB H 2.216 0.030 1 407 48 48 VAL HG1 H 0.866 0.030 1 408 48 48 VAL HG2 H 0.970 0.030 1 409 48 48 VAL C C 177.782 0.300 1 410 48 48 VAL CA C 67.648 0.300 1 411 48 48 VAL CB C 31.927 0.300 1 412 48 48 VAL CG1 C 21.792 0.300 2 413 48 48 VAL CG2 C 23.517 0.300 2 414 48 48 VAL N N 119.267 0.300 1 415 49 49 THR H H 8.011 0.030 1 416 49 49 THR HA H 3.875 0.030 1 417 49 49 THR HB H 4.301 0.030 1 418 49 49 THR HG2 H 1.272 0.030 1 419 49 49 THR C C 175.965 0.300 1 420 49 49 THR CA C 67.262 0.300 1 421 49 49 THR CB C 68.778 0.300 1 422 49 49 THR CG2 C 21.792 0.300 1 423 49 49 THR N N 116.416 0.300 1 424 50 50 MET H H 8.590 0.030 1 425 50 50 MET HA H 4.117 0.030 1 426 50 50 MET HB2 H 2.149 0.030 2 427 50 50 MET HB3 H 2.253 0.030 2 428 50 50 MET HE H 2.064 0.030 1 429 50 50 MET HG2 H 2.523 0.030 2 430 50 50 MET HG3 H 2.607 0.030 2 431 50 50 MET C C 178.873 0.300 1 432 50 50 MET CA C 59.215 0.300 1 433 50 50 MET CB C 32.832 0.300 1 434 50 50 MET CE C 17.824 0.300 1 435 50 50 MET CG C 32.697 0.300 1 436 50 50 MET N N 121.241 0.300 1 437 51 51 PHE H H 8.443 0.030 1 438 51 51 PHE HA H 4.178 0.030 1 439 51 51 PHE HB2 H 3.442 0.030 2 440 51 51 PHE HB3 H 3.510 0.030 2 441 51 51 PHE HD1 H 7.162 0.030 1 442 51 51 PHE HD2 H 7.162 0.030 1 443 51 51 PHE HE1 H 7.443 0.030 1 444 51 51 PHE HE2 H 7.443 0.030 1 445 51 51 PHE HZ H 7.393 0.030 1 446 51 51 PHE C C 178.025 0.300 1 447 51 51 PHE CA C 61.827 0.300 1 448 51 51 PHE CB C 40.026 0.300 1 449 51 51 PHE CD1 C 131.487 0.300 1 450 51 51 PHE CD2 C 131.487 0.300 1 451 51 51 PHE CE1 C 132.080 0.300 1 452 51 51 PHE CE2 C 132.080 0.300 1 453 51 51 PHE CZ C 130.641 0.300 1 454 51 51 PHE N N 121.075 0.300 1 455 52 52 LEU H H 8.658 0.030 1 456 52 52 LEU HA H 3.940 0.030 1 457 52 52 LEU HB2 H 1.497 0.030 2 458 52 52 LEU HB3 H 1.942 0.030 2 459 52 52 LEU HD1 H 0.881 0.030 1 460 52 52 LEU HD2 H 0.966 0.030 1 461 52 52 LEU HG H 2.017 0.030 1 462 52 52 LEU C C 179.188 0.300 1 463 52 52 LEU CA C 57.132 0.300 1 464 52 52 LEU CB C 41.550 0.300 1 465 52 52 LEU CD1 C 25.923 0.300 2 466 52 52 LEU CD2 C 22.304 0.300 2 467 52 52 LEU CG C 26.967 0.300 1 468 52 52 LEU N N 120.268 0.300 1 469 53 53 ASP H H 8.382 0.030 1 470 53 53 ASP HA H 4.574 0.030 1 471 53 53 ASP HB2 H 2.720 0.030 1 472 53 53 ASP HB3 H 2.720 0.030 1 473 53 53 ASP C C 177.685 0.300 1 474 53 53 ASP CA C 55.615 0.300 1 475 53 53 ASP CB C 40.924 0.300 1 476 53 53 ASP N N 119.605 0.300 1 477 54 54 GLY H H 7.727 0.030 1 478 54 54 GLY HA2 H 3.873 0.030 2 479 54 54 GLY HA3 H 3.975 0.030 2 480 54 54 GLY C C 175.286 0.300 1 481 54 54 GLY CA C 45.726 0.300 1 482 54 54 GLY N N 106.987 0.300 1 483 55 55 GLY H H 8.111 0.030 1 484 55 55 GLY HA2 H 3.904 0.030 1 485 55 55 GLY HA3 H 3.904 0.030 1 486 55 55 GLY C C 174.826 0.300 1 487 55 55 GLY CA C 45.380 0.300 1 488 55 55 GLY N N 108.332 0.300 1 489 56 56 GLY H H 8.198 0.030 1 490 56 56 GLY HA2 H 3.775 0.030 1 491 56 56 GLY HA3 H 3.775 0.030 1 492 56 56 GLY C C 174.099 0.300 1 493 56 56 GLY CA C 45.415 0.300 1 494 56 56 GLY N N 108.446 0.300 1 495 57 57 SER H H 8.219 0.030 1 496 57 57 SER HA H 4.500 0.030 1 497 57 57 SER HB2 H 3.830 0.030 1 498 57 57 SER HB3 H 3.830 0.030 1 499 57 57 SER C C 174.584 0.300 1 500 57 57 SER CA C 58.459 0.300 1 501 57 57 SER CB C 64.003 0.300 1 502 57 57 SER N N 115.633 0.300 1 503 58 58 GLY H H 8.281 0.030 1 504 58 58 GLY HA2 H 4.105 0.030 1 505 58 58 GLY HA3 H 4.105 0.030 1 506 58 58 GLY C C 171.821 0.300 1 507 58 58 GLY CA C 44.674 0.300 1 508 58 58 GLY N N 110.513 0.300 1 509 59 59 PRO HA H 4.467 0.030 1 510 59 59 PRO HB2 H 1.969 0.030 2 511 59 59 PRO HB3 H 2.277 0.030 2 512 59 59 PRO HD2 H 3.610 0.030 1 513 59 59 PRO HD3 H 3.610 0.030 1 514 59 59 PRO HG2 H 2.006 0.030 1 515 59 59 PRO HG3 H 2.006 0.030 1 516 59 59 PRO C C 177.394 0.300 1 517 59 59 PRO CA C 63.274 0.300 1 518 59 59 PRO CB C 32.174 0.300 1 519 59 59 PRO CD C 49.822 0.300 1 520 59 59 PRO CG C 27.223 0.300 1 521 60 60 SER H H 8.518 0.030 1 522 60 60 SER HA H 4.551 0.030 1 523 60 60 SER HB2 H 3.889 0.030 2 524 60 60 SER C C 174.656 0.300 1 525 60 60 SER CA C 58.283 0.300 1 526 60 60 SER CB C 64.003 0.300 1 527 60 60 SER N N 116.436 0.300 1 528 61 61 SER HA H 4.456 0.030 1 529 61 61 SER HB2 H 3.874 0.030 1 530 61 61 SER HB3 H 3.874 0.030 1 531 61 61 SER C C 173.953 0.300 1 532 61 61 SER CA C 58.486 0.300 1 533 61 61 SER CB C 64.003 0.300 1 534 62 62 GLY H H 8.043 0.030 1 535 62 62 GLY C C 178.994 0.300 1 536 62 62 GLY CA C 46.227 0.300 1 537 62 62 GLY N N 116.862 0.300 1 stop_ save_