data_11274 ####################### # 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 ETEA Protein ; _BMRB_accession_number 11274 _BMRB_flat_file_name bmr11274.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 Yoneyama M. . . 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" 347 "13C chemical shifts" 251 "15N chemical shifts" 68 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 ETEA 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 Yoneyama M. . . 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 'ETEA protein' _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 67 _Mol_residue_sequence ; GSSGSSGAPEERDLTQEQTE KLLQFQDLTGIESMDQCRHT LEQHNWNIEAAVQDRLNEQE GSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ALA 9 PRO 10 GLU 11 GLU 12 ARG 13 ASP 14 LEU 15 THR 16 GLN 17 GLU 18 GLN 19 THR 20 GLU 21 LYS 22 LEU 23 LEU 24 GLN 25 PHE 26 GLN 27 ASP 28 LEU 29 THR 30 GLY 31 ILE 32 GLU 33 SER 34 MET 35 ASP 36 GLN 37 CYS 38 ARG 39 HIS 40 THR 41 LEU 42 GLU 43 GLN 44 HIS 45 ASN 46 TRP 47 ASN 48 ILE 49 GLU 50 ALA 51 ALA 52 VAL 53 GLN 54 ASP 55 ARG 56 LEU 57 ASN 58 GLU 59 GLN 60 GLU 61 GLY 62 SER 63 GLY 64 PRO 65 SER 66 SER 67 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 2DAM "Solution Structure Of The Novel Identified Uba-Like Domain In The N-Terminal Of Human Etea Protein" 100.00 67 100.00 100.00 1.27e-39 DBJ BAA74910 "KIAA0887 protein [Homo sapiens]" 80.60 443 100.00 100.00 1.90e-28 DBJ BAC22491 "ETEA [Homo sapiens]" 82.09 445 98.18 98.18 1.19e-28 DBJ BAG09890 "UBX domain-containing protein 8 [synthetic construct]" 82.09 445 98.18 98.18 1.19e-28 DBJ BAG65190 "unnamed protein product [Homo sapiens]" 82.09 212 98.18 98.18 6.82e-30 GB AAH01069 "Fas associated factor family member 2 [Homo sapiens]" 82.09 445 98.18 98.18 1.19e-28 GB AAH06145 "Fas associated factor family member 2 [Homo sapiens]" 82.09 445 98.18 98.18 1.19e-28 GB AAH14001 "Fas associated factor family member 2 [Homo sapiens]" 82.09 445 98.18 98.18 1.19e-28 GB AAI05573 "Fas associated factor family member 2 [Bos taurus]" 82.09 445 98.18 98.18 1.24e-28 GB AIC50926 "FAF2, partial [synthetic construct]" 82.09 445 98.18 98.18 1.19e-28 REF NP_001070488 "FAS-associated factor 2 [Bos taurus]" 82.09 445 98.18 98.18 1.24e-28 REF NP_001247827 "FAS-associated factor 2 [Macaca mulatta]" 82.09 445 98.18 98.18 1.14e-28 REF NP_055428 "FAS-associated factor 2 [Homo sapiens]" 82.09 445 98.18 98.18 1.19e-28 REF XP_001517276 "PREDICTED: FAS-associated factor 2, partial [Ornithorhynchus anatinus]" 55.22 323 97.30 97.30 1.41e-16 REF XP_002710457 "PREDICTED: FAS-associated factor 2 isoform X1 [Oryctolagus cuniculus]" 82.09 445 98.18 98.18 1.16e-28 SP Q2HJD0 "RecName: Full=FAS-associated factor 2; AltName: Full=UBX domain-containing protein 8" 82.09 445 98.18 98.18 1.24e-28 SP Q96CS3 "RecName: Full=FAS-associated factor 2; AltName: Full=Protein ETEA; AltName: Full=UBX domain-containing protein 3B; AltName: Ful" 82.09 445 98.18 98.18 1.19e-28 TPG DAA27671 "TPA: FAS-associated factor 2 [Bos taurus]" 82.09 445 98.18 98.18 1.24e-28 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' . Escherichia coli . plasmid P050815-22 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.02mM 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 1.02 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 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298.0 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 6 6 SER HA H 4.505 0.030 1 2 6 6 SER HB2 H 3.928 0.030 1 3 6 6 SER HB3 H 3.928 0.030 1 4 6 6 SER C C 175.015 0.300 1 5 6 6 SER CA C 58.639 0.300 1 6 6 6 SER CB C 64.073 0.300 1 7 7 7 GLY H H 8.413 0.030 1 8 7 7 GLY HA2 H 3.970 0.030 1 9 7 7 GLY HA3 H 3.970 0.030 1 10 7 7 GLY C C 173.465 0.300 1 11 7 7 GLY CA C 45.095 0.300 1 12 7 7 GLY N N 110.929 0.300 1 13 8 8 ALA H H 8.132 0.030 1 14 8 8 ALA HA H 4.618 0.030 1 15 8 8 ALA HB H 1.360 0.030 1 16 8 8 ALA C C 175.766 0.300 1 17 8 8 ALA CA C 50.531 0.300 1 18 8 8 ALA CB C 18.259 0.300 1 19 8 8 ALA N N 125.056 0.300 1 20 9 9 PRO HA H 4.374 0.030 1 21 9 9 PRO HB2 H 1.914 0.030 2 22 9 9 PRO HB3 H 2.302 0.030 2 23 9 9 PRO HD2 H 3.672 0.030 2 24 9 9 PRO HD3 H 3.806 0.030 2 25 9 9 PRO HG2 H 2.027 0.030 1 26 9 9 PRO HG3 H 2.027 0.030 1 27 9 9 PRO C C 177.268 0.300 1 28 9 9 PRO CA C 63.599 0.300 1 29 9 9 PRO CB C 31.992 0.300 1 30 9 9 PRO CD C 50.438 0.300 1 31 9 9 PRO CG C 27.209 0.300 1 32 10 10 GLU H H 8.655 0.030 1 33 10 10 GLU HA H 4.235 0.030 1 34 10 10 GLU HB2 H 1.934 0.030 2 35 10 10 GLU HB3 H 2.036 0.030 2 36 10 10 GLU HG2 H 2.279 0.030 1 37 10 10 GLU HG3 H 2.279 0.030 1 38 10 10 GLU C C 176.590 0.300 1 39 10 10 GLU CA C 56.806 0.300 1 40 10 10 GLU CB C 30.016 0.300 1 41 10 10 GLU CG C 36.579 0.300 1 42 10 10 GLU N N 120.409 0.300 1 43 11 11 GLU H H 8.337 0.030 1 44 11 11 GLU HA H 4.288 0.030 1 45 11 11 GLU HB2 H 2.016 0.030 1 46 11 11 GLU HB3 H 2.016 0.030 1 47 11 11 GLU HG2 H 2.261 0.030 1 48 11 11 GLU HG3 H 2.261 0.030 1 49 11 11 GLU C C 176.420 0.300 1 50 11 11 GLU CA C 56.493 0.300 1 51 11 11 GLU CB C 30.280 0.300 1 52 11 11 GLU CG C 36.415 0.300 1 53 11 11 GLU N N 121.945 0.300 1 54 12 12 ARG H H 8.289 0.030 1 55 12 12 ARG HA H 4.348 0.030 1 56 12 12 ARG HB2 H 1.751 0.030 2 57 12 12 ARG HB3 H 1.847 0.030 2 58 12 12 ARG HD2 H 3.196 0.030 1 59 12 12 ARG HD3 H 3.196 0.030 1 60 12 12 ARG HG2 H 1.632 0.030 1 61 12 12 ARG HG3 H 1.632 0.030 1 62 12 12 ARG C C 175.935 0.300 1 63 12 12 ARG CA C 56.001 0.300 1 64 12 12 ARG CB C 31.114 0.300 1 65 12 12 ARG CD C 43.335 0.300 1 66 12 12 ARG CG C 26.942 0.300 1 67 12 12 ARG N N 121.912 0.300 1 68 13 13 ASP H H 8.393 0.030 1 69 13 13 ASP HA H 4.572 0.030 1 70 13 13 ASP HB2 H 2.680 0.030 2 71 13 13 ASP HB3 H 2.572 0.030 2 72 13 13 ASP C C 176.202 0.300 1 73 13 13 ASP CA C 54.417 0.300 1 74 13 13 ASP CB C 41.051 0.300 1 75 13 13 ASP N N 121.780 0.300 1 76 14 14 LEU H H 8.168 0.030 1 77 14 14 LEU HA H 4.453 0.030 1 78 14 14 LEU HB2 H 1.592 0.030 2 79 14 14 LEU HB3 H 1.426 0.030 2 80 14 14 LEU HD1 H 0.897 0.030 1 81 14 14 LEU HD2 H 0.790 0.030 1 82 14 14 LEU HG H 1.683 0.030 1 83 14 14 LEU C C 178.527 0.300 1 84 14 14 LEU CA C 54.558 0.300 1 85 14 14 LEU CB C 43.271 0.300 1 86 14 14 LEU CD1 C 26.456 0.300 2 87 14 14 LEU CD2 C 23.669 0.300 2 88 14 14 LEU CG C 27.021 0.300 1 89 14 14 LEU N N 121.542 0.300 1 90 15 15 THR H H 8.363 0.030 1 91 15 15 THR HA H 4.300 0.030 1 92 15 15 THR HB H 4.619 0.030 1 93 15 15 THR HG2 H 1.165 0.030 1 94 15 15 THR C C 176.057 0.300 1 95 15 15 THR CA C 61.103 0.300 1 96 15 15 THR CB C 70.769 0.300 1 97 15 15 THR CG2 C 21.671 0.300 1 98 15 15 THR N N 112.993 0.300 1 99 16 16 GLN HA H 4.024 0.030 1 100 16 16 GLN HB2 H 2.166 0.030 2 101 16 16 GLN HB3 H 2.009 0.030 2 102 16 16 GLN HE21 H 6.839 0.030 2 103 16 16 GLN HE22 H 7.815 0.030 2 104 16 16 GLN HG2 H 2.407 0.030 1 105 16 16 GLN HG3 H 2.407 0.030 1 106 16 16 GLN C C 178.140 0.300 1 107 16 16 GLN CA C 59.554 0.300 1 108 16 16 GLN CB C 27.649 0.300 1 109 16 16 GLN CG C 33.537 0.300 1 110 16 16 GLN NE2 N 112.798 0.300 1 111 17 17 GLU H H 8.483 0.030 1 112 17 17 GLU HA H 4.041 0.030 1 113 17 17 GLU HB2 H 1.824 0.030 2 114 17 17 GLU HB3 H 2.046 0.030 2 115 17 17 GLU HG2 H 2.318 0.030 2 116 17 17 GLU HG3 H 2.113 0.030 2 117 17 17 GLU C C 179.206 0.300 1 118 17 17 GLU CA C 59.483 0.300 1 119 17 17 GLU CB C 29.577 0.300 1 120 17 17 GLU CG C 36.643 0.300 1 121 17 17 GLU N N 119.124 0.300 1 122 18 18 GLN H H 7.544 0.030 1 123 18 18 GLN HA H 3.512 0.030 1 124 18 18 GLN HB2 H 0.990 0.030 2 125 18 18 GLN HB3 H 1.916 0.030 2 126 18 18 GLN HE21 H 6.269 0.030 2 127 18 18 GLN HE22 H 5.384 0.030 2 128 18 18 GLN HG2 H 1.773 0.030 2 129 18 18 GLN HG3 H 0.373 0.030 2 130 18 18 GLN C C 177.970 0.300 1 131 18 18 GLN CA C 59.061 0.300 1 132 18 18 GLN CB C 28.389 0.300 1 133 18 18 GLN CG C 33.836 0.300 1 134 18 18 GLN N N 118.585 0.300 1 135 18 18 GLN NE2 N 107.788 0.300 1 136 19 19 THR H H 8.426 0.030 1 137 19 19 THR HA H 3.795 0.030 1 138 19 19 THR HB H 4.334 0.030 1 139 19 19 THR HG2 H 1.241 0.030 1 140 19 19 THR C C 176.105 0.300 1 141 19 19 THR CA C 67.821 0.300 1 142 19 19 THR CB C 68.617 0.300 1 143 19 19 THR CG2 C 21.613 0.300 1 144 19 19 THR N N 116.842 0.300 1 145 20 20 GLU H H 8.053 0.030 1 146 20 20 GLU HA H 4.030 0.030 1 147 20 20 GLU HB2 H 2.203 0.030 2 148 20 20 GLU HB3 H 2.096 0.030 2 149 20 20 GLU HG2 H 2.282 0.030 2 150 20 20 GLU HG3 H 2.496 0.030 2 151 20 20 GLU C C 180.005 0.300 1 152 20 20 GLU CA C 59.905 0.300 1 153 20 20 GLU CB C 29.294 0.300 1 154 20 20 GLU CG C 36.616 0.300 1 155 20 20 GLU N N 120.308 0.300 1 156 21 21 LYS H H 8.061 0.030 1 157 21 21 LYS HA H 4.223 0.030 1 158 21 21 LYS HB2 H 1.901 0.030 2 159 21 21 LYS HB3 H 2.450 0.030 2 160 21 21 LYS HD2 H 2.113 0.030 2 161 21 21 LYS HD3 H 1.922 0.030 2 162 21 21 LYS HE2 H 3.099 0.030 2 163 21 21 LYS HE3 H 3.223 0.030 2 164 21 21 LYS HG2 H 1.593 0.030 2 165 21 21 LYS HG3 H 2.034 0.030 2 166 21 21 LYS C C 178.213 0.300 1 167 21 21 LYS CA C 60.363 0.300 1 168 21 21 LYS CB C 34.079 0.300 1 169 21 21 LYS CD C 30.988 0.300 1 170 21 21 LYS CE C 42.828 0.300 1 171 21 21 LYS CG C 27.124 0.300 1 172 21 21 LYS N N 119.847 0.300 1 173 22 22 LEU H H 8.665 0.030 1 174 22 22 LEU HA H 3.960 0.030 1 175 22 22 LEU HB2 H 2.034 0.030 1 176 22 22 LEU HB3 H 2.034 0.030 1 177 22 22 LEU HD1 H 1.040 0.030 1 178 22 22 LEU HD2 H 0.942 0.030 1 179 22 22 LEU HG H 1.885 0.030 1 180 22 22 LEU C C 178.770 0.300 1 181 22 22 LEU CA C 59.378 0.300 1 182 22 22 LEU CB C 42.284 0.300 1 183 22 22 LEU CD1 C 26.562 0.300 2 184 22 22 LEU CD2 C 25.315 0.300 2 185 22 22 LEU CG C 27.600 0.300 1 186 22 22 LEU N N 121.160 0.300 1 187 23 23 LEU H H 7.958 0.030 1 188 23 23 LEU HA H 4.144 0.030 1 189 23 23 LEU HB2 H 1.912 0.030 2 190 23 23 LEU HB3 H 1.642 0.030 2 191 23 23 LEU HD1 H 0.868 0.030 1 192 23 23 LEU HD2 H 0.919 0.030 1 193 23 23 LEU HG H 1.919 0.030 1 194 23 23 LEU C C 180.223 0.300 1 195 23 23 LEU CA C 58.146 0.300 1 196 23 23 LEU CB C 41.462 0.300 1 197 23 23 LEU CD1 C 25.151 0.300 2 198 23 23 LEU CD2 C 22.869 0.300 2 199 23 23 LEU CG C 27.161 0.300 1 200 23 23 LEU N N 118.653 0.300 1 201 24 24 GLN H H 8.149 0.030 1 202 24 24 GLN HA H 4.189 0.030 1 203 24 24 GLN HB2 H 2.300 0.030 2 204 24 24 GLN HB3 H 2.187 0.030 2 205 24 24 GLN HE21 H 6.788 0.030 2 206 24 24 GLN HE22 H 7.322 0.030 2 207 24 24 GLN HG2 H 2.639 0.030 2 208 24 24 GLN HG3 H 2.359 0.030 2 209 24 24 GLN C C 178.649 0.300 1 210 24 24 GLN CA C 59.096 0.300 1 211 24 24 GLN CB C 28.698 0.300 1 212 24 24 GLN CG C 33.866 0.300 1 213 24 24 GLN N N 120.086 0.300 1 214 24 24 GLN NE2 N 109.935 0.300 1 215 25 25 PHE H H 9.063 0.030 1 216 25 25 PHE HA H 4.037 0.030 1 217 25 25 PHE HB2 H 3.181 0.030 2 218 25 25 PHE HB3 H 3.306 0.030 2 219 25 25 PHE HD1 H 7.027 0.030 1 220 25 25 PHE HD2 H 7.027 0.030 1 221 25 25 PHE HE1 H 7.115 0.030 1 222 25 25 PHE HE2 H 7.115 0.030 1 223 25 25 PHE HZ H 7.117 0.030 1 224 25 25 PHE C C 178.697 0.300 1 225 25 25 PHE CA C 62.262 0.300 1 226 25 25 PHE CB C 40.558 0.300 1 227 25 25 PHE CD1 C 131.181 0.300 1 228 25 25 PHE CD2 C 131.181 0.300 1 229 25 25 PHE CE1 C 129.884 0.300 1 230 25 25 PHE CE2 C 129.884 0.300 1 231 25 25 PHE CZ C 131.977 0.300 1 232 25 25 PHE N N 120.437 0.300 1 233 26 26 GLN H H 8.937 0.030 1 234 26 26 GLN HA H 3.789 0.030 1 235 26 26 GLN HB2 H 2.334 0.030 2 236 26 26 GLN HB3 H 2.261 0.030 2 237 26 26 GLN HE21 H 7.200 0.030 2 238 26 26 GLN HE22 H 6.265 0.030 2 239 26 26 GLN HG2 H 2.681 0.030 2 240 26 26 GLN HG3 H 2.297 0.030 2 241 26 26 GLN C C 178.285 0.300 1 242 26 26 GLN CA C 60.679 0.300 1 243 26 26 GLN CB C 29.106 0.300 1 244 26 26 GLN CG C 34.576 0.300 1 245 26 26 GLN N N 122.718 0.300 1 246 26 26 GLN NE2 N 109.626 0.300 1 247 27 27 ASP H H 8.103 0.030 1 248 27 27 ASP HA H 4.337 0.030 1 249 27 27 ASP HB2 H 2.722 0.030 2 250 27 27 ASP HB3 H 2.840 0.030 2 251 27 27 ASP C C 178.455 0.300 1 252 27 27 ASP CA C 57.584 0.300 1 253 27 27 ASP CB C 41.298 0.300 1 254 27 27 ASP N N 120.468 0.300 1 255 28 28 LEU H H 7.932 0.030 1 256 28 28 LEU HA H 4.105 0.030 1 257 28 28 LEU HB2 H 1.383 0.030 2 258 28 28 LEU HB3 H 1.735 0.030 2 259 28 28 LEU HD1 H 0.875 0.030 1 260 28 28 LEU HD2 H 0.880 0.030 1 261 28 28 LEU HG H 1.834 0.030 1 262 28 28 LEU C C 179.133 0.300 1 263 28 28 LEU CA C 57.232 0.300 1 264 28 28 LEU CB C 43.682 0.300 1 265 28 28 LEU CD1 C 25.808 0.300 2 266 28 28 LEU CD2 C 23.175 0.300 2 267 28 28 LEU CG C 26.915 0.300 1 268 28 28 LEU N N 116.877 0.300 1 269 29 29 THR H H 7.544 0.030 1 270 29 29 THR HA H 4.172 0.030 1 271 29 29 THR HB H 3.758 0.030 1 272 29 29 THR HG2 H 0.487 0.030 1 273 29 29 THR C C 176.493 0.300 1 274 29 29 THR CA C 62.649 0.300 1 275 29 29 THR CB C 71.447 0.300 1 276 29 29 THR CG2 C 20.960 0.300 1 277 29 29 THR N N 105.379 0.300 1 278 30 30 GLY H H 8.454 0.030 1 279 30 30 GLY HA2 H 3.788 0.030 2 280 30 30 GLY HA3 H 4.002 0.030 2 281 30 30 GLY C C 174.458 0.300 1 282 30 30 GLY CA C 46.207 0.300 1 283 30 30 GLY N N 112.396 0.300 1 284 31 31 ILE H H 7.194 0.030 1 285 31 31 ILE HA H 3.737 0.030 1 286 31 31 ILE HB H 1.636 0.030 1 287 31 31 ILE HD1 H 0.895 0.030 1 288 31 31 ILE HG12 H 0.970 0.030 2 289 31 31 ILE HG13 H 1.321 0.030 2 290 31 31 ILE HG2 H 0.972 0.030 1 291 31 31 ILE C C 176.250 0.300 1 292 31 31 ILE CA C 62.601 0.300 1 293 31 31 ILE CB C 38.420 0.300 1 294 31 31 ILE CD1 C 13.064 0.300 1 295 31 31 ILE CG1 C 28.632 0.300 1 296 31 31 ILE CG2 C 18.404 0.300 1 297 31 31 ILE N N 121.693 0.300 1 298 32 32 GLU H H 8.412 0.030 1 299 32 32 GLU HA H 3.919 0.030 1 300 32 32 GLU HB2 H 1.953 0.030 2 301 32 32 GLU HB3 H 2.027 0.030 2 302 32 32 GLU HG2 H 2.209 0.030 2 303 32 32 GLU HG3 H 2.345 0.030 2 304 32 32 GLU C C 177.026 0.300 1 305 32 32 GLU CA C 58.780 0.300 1 306 32 32 GLU CB C 30.609 0.300 1 307 32 32 GLU CG C 37.043 0.300 1 308 32 32 GLU N N 127.205 0.300 1 309 33 33 SER H H 7.556 0.030 1 310 33 33 SER HA H 4.592 0.030 1 311 33 33 SER HB2 H 4.074 0.030 2 312 33 33 SER HB3 H 3.834 0.030 2 313 33 33 SER C C 176.250 0.300 1 314 33 33 SER CA C 56.659 0.300 1 315 33 33 SER CB C 63.207 0.300 1 316 33 33 SER N N 111.324 0.300 1 317 34 34 MET HA H 4.181 0.030 1 318 34 34 MET HB2 H 2.246 0.030 2 319 34 34 MET HB3 H 2.093 0.030 2 320 34 34 MET HE H 2.105 0.030 1 321 34 34 MET HG2 H 2.632 0.030 2 322 34 34 MET HG3 H 2.748 0.030 2 323 34 34 MET C C 178.552 0.300 1 324 34 34 MET CA C 58.885 0.300 1 325 34 34 MET CB C 32.089 0.300 1 326 34 34 MET CE C 17.299 0.300 1 327 34 34 MET CG C 32.730 0.300 1 328 35 35 ASP H H 8.320 0.030 1 329 35 35 ASP HA H 4.320 0.030 1 330 35 35 ASP HB2 H 2.572 0.030 2 331 35 35 ASP HB3 H 2.485 0.030 2 332 35 35 ASP C C 178.431 0.300 1 333 35 35 ASP CA C 57.548 0.300 1 334 35 35 ASP CB C 40.618 0.300 1 335 35 35 ASP N N 119.482 0.300 1 336 36 36 GLN H H 7.876 0.030 1 337 36 36 GLN HA H 4.137 0.030 1 338 36 36 GLN HB2 H 2.162 0.030 1 339 36 36 GLN HB3 H 2.162 0.030 1 340 36 36 GLN HE21 H 6.970 0.030 2 341 36 36 GLN HE22 H 7.655 0.030 2 342 36 36 GLN HG2 H 2.409 0.030 2 343 36 36 GLN HG3 H 2.532 0.030 2 344 36 36 GLN C C 179.690 0.300 1 345 36 36 GLN CA C 58.780 0.300 1 346 36 36 GLN CB C 28.479 0.300 1 347 36 36 GLN CG C 33.701 0.300 1 348 36 36 GLN N N 120.582 0.300 1 349 36 36 GLN NE2 N 112.140 0.300 1 350 37 37 CYS H H 7.935 0.030 1 351 37 37 CYS HA H 3.968 0.030 1 352 37 37 CYS HB2 H 2.544 0.030 2 353 37 37 CYS HB3 H 3.408 0.030 2 354 37 37 CYS C C 175.427 0.300 1 355 37 37 CYS CA C 64.338 0.300 1 356 37 37 CYS CB C 27.351 0.300 1 357 37 37 CYS N N 118.302 0.300 1 358 38 38 ARG H H 8.427 0.030 1 359 38 38 ARG HA H 3.533 0.030 1 360 38 38 ARG HB2 H 1.893 0.030 2 361 38 38 ARG HB3 H 2.007 0.030 2 362 38 38 ARG HD2 H 3.255 0.030 1 363 38 38 ARG HD3 H 3.255 0.030 1 364 38 38 ARG HE H 7.772 0.030 1 365 38 38 ARG HG2 H 1.705 0.030 2 366 38 38 ARG HG3 H 1.655 0.030 2 367 38 38 ARG C C 176.953 0.300 1 368 38 38 ARG CA C 60.152 0.300 1 369 38 38 ARG CB C 29.796 0.300 1 370 38 38 ARG CD C 43.884 0.300 1 371 38 38 ARG CG C 27.820 0.300 1 372 38 38 ARG N N 119.334 0.300 1 373 38 38 ARG NE N 84.408 0.300 1 374 39 39 HIS H H 8.163 0.030 1 375 39 39 HIS HA H 4.293 0.030 1 376 39 39 HIS HB2 H 3.187 0.030 1 377 39 39 HIS HB3 H 3.187 0.030 1 378 39 39 HIS HD2 H 7.069 0.030 1 379 39 39 HIS C C 177.801 0.300 1 380 39 39 HIS CA C 59.589 0.300 1 381 39 39 HIS CB C 29.577 0.300 1 382 39 39 HIS CD2 C 119.989 0.300 1 383 39 39 HIS N N 117.153 0.300 1 384 40 40 THR H H 7.937 0.030 1 385 40 40 THR HA H 3.935 0.030 1 386 40 40 THR HB H 3.947 0.030 1 387 40 40 THR HG2 H 1.229 0.030 1 388 40 40 THR C C 176.638 0.300 1 389 40 40 THR CA C 66.660 0.300 1 390 40 40 THR CB C 68.685 0.300 1 391 40 40 THR CG2 C 22.702 0.300 1 392 40 40 THR N N 114.872 0.300 1 393 41 41 LEU H H 7.653 0.030 1 394 41 41 LEU HA H 3.202 0.030 1 395 41 41 LEU HB2 H -0.268 0.030 2 396 41 41 LEU HB3 H 0.711 0.030 2 397 41 41 LEU HD1 H 0.520 0.030 1 398 41 41 LEU HD2 H 0.146 0.030 1 399 41 41 LEU HG H 0.635 0.030 1 400 41 41 LEU C C 179.642 0.300 1 401 41 41 LEU CA C 58.441 0.300 1 402 41 41 LEU CB C 39.736 0.300 1 403 41 41 LEU CD1 C 25.808 0.300 2 404 41 41 LEU CD2 C 22.989 0.300 2 405 41 41 LEU CG C 27.396 0.300 1 406 41 41 LEU N N 122.368 0.300 1 407 42 42 GLU H H 8.300 0.030 1 408 42 42 GLU HA H 3.294 0.030 1 409 42 42 GLU HB2 H 1.894 0.030 2 410 42 42 GLU HB3 H 2.078 0.030 2 411 42 42 GLU HG2 H 2.358 0.030 1 412 42 42 GLU HG3 H 2.358 0.030 1 413 42 42 GLU C C 180.659 0.300 1 414 42 42 GLU CA C 59.905 0.300 1 415 42 42 GLU CB C 29.047 0.300 1 416 42 42 GLU CG C 37.072 0.300 1 417 42 42 GLU N N 121.030 0.300 1 418 43 43 GLN H H 7.657 0.030 1 419 43 43 GLN HA H 3.868 0.030 1 420 43 43 GLN HB2 H 1.964 0.030 2 421 43 43 GLN HB3 H 1.868 0.030 2 422 43 43 GLN HE21 H 7.138 0.030 2 423 43 43 GLN HE22 H 6.772 0.030 2 424 43 43 GLN HG2 H 2.016 0.030 2 425 43 43 GLN HG3 H 2.097 0.030 2 426 43 43 GLN C C 176.541 0.300 1 427 43 43 GLN CA C 57.935 0.300 1 428 43 43 GLN CB C 28.259 0.300 1 429 43 43 GLN CG C 33.619 0.300 1 430 43 43 GLN N N 119.064 0.300 1 431 43 43 GLN NE2 N 112.229 0.300 1 432 44 44 HIS H H 7.029 0.030 1 433 44 44 HIS HA H 4.541 0.030 1 434 44 44 HIS HB2 H 2.387 0.030 2 435 44 44 HIS HB3 H 3.631 0.030 2 436 44 44 HIS HD2 H 7.199 0.030 1 437 44 44 HIS C C 175.160 0.300 1 438 44 44 HIS CA C 56.247 0.300 1 439 44 44 HIS CB C 29.952 0.300 1 440 44 44 HIS CD2 C 120.215 0.300 1 441 44 44 HIS N N 115.031 0.300 1 442 45 45 ASN H H 8.019 0.030 1 443 45 45 ASN HA H 4.493 0.030 1 444 45 45 ASN HB2 H 2.737 0.030 2 445 45 45 ASN HB3 H 3.156 0.030 2 446 45 45 ASN HD21 H 7.615 0.030 2 447 45 45 ASN HD22 H 6.881 0.030 2 448 45 45 ASN C C 174.119 0.300 1 449 45 45 ASN CA C 55.086 0.300 1 450 45 45 ASN CB C 37.105 0.300 1 451 45 45 ASN N N 118.608 0.300 1 452 45 45 ASN ND2 N 112.461 0.300 1 453 46 46 TRP H H 8.680 0.030 1 454 46 46 TRP HA H 3.103 0.030 1 455 46 46 TRP HB2 H 3.324 0.030 2 456 46 46 TRP HB3 H 3.475 0.030 2 457 46 46 TRP HD1 H 7.183 0.030 1 458 46 46 TRP HE1 H 10.423 0.030 1 459 46 46 TRP HE3 H 7.293 0.030 1 460 46 46 TRP HH2 H 6.881 0.030 1 461 46 46 TRP HZ2 H 7.446 0.030 1 462 46 46 TRP HZ3 H 7.162 0.030 1 463 46 46 TRP C C 172.859 0.300 1 464 46 46 TRP CA C 59.624 0.300 1 465 46 46 TRP CB C 24.616 0.300 1 466 46 46 TRP CD1 C 127.462 0.300 1 467 46 46 TRP CE3 C 118.834 0.300 1 468 46 46 TRP CH2 C 123.399 0.300 1 469 46 46 TRP CZ2 C 115.498 0.300 1 470 46 46 TRP CZ3 C 123.347 0.300 1 471 46 46 TRP N N 108.707 0.300 1 472 46 46 TRP NE1 N 130.516 0.300 1 473 47 47 ASN H H 7.413 0.030 1 474 47 47 ASN HA H 4.927 0.030 1 475 47 47 ASN HB2 H 2.816 0.030 2 476 47 47 ASN HB3 H 3.325 0.030 2 477 47 47 ASN HD21 H 7.673 0.030 2 478 47 47 ASN HD22 H 7.131 0.030 2 479 47 47 ASN C C 174.918 0.300 1 480 47 47 ASN CA C 52.307 0.300 1 481 47 47 ASN CB C 38.799 0.300 1 482 47 47 ASN N N 118.494 0.300 1 483 47 47 ASN ND2 N 112.505 0.300 1 484 48 48 ILE H H 8.500 0.030 1 485 48 48 ILE HA H 3.501 0.030 1 486 48 48 ILE HB H 1.838 0.030 1 487 48 48 ILE HD1 H 1.091 0.030 1 488 48 48 ILE HG12 H 1.751 0.030 2 489 48 48 ILE HG13 H 1.261 0.030 2 490 48 48 ILE HG2 H 1.014 0.030 1 491 48 48 ILE C C 176.250 0.300 1 492 48 48 ILE CA C 65.147 0.300 1 493 48 48 ILE CB C 38.360 0.300 1 494 48 48 ILE CD1 C 14.030 0.300 1 495 48 48 ILE CG1 C 29.452 0.300 1 496 48 48 ILE CG2 C 17.180 0.300 1 497 48 48 ILE N N 126.076 0.300 1 498 49 49 GLU H H 8.340 0.030 1 499 49 49 GLU HA H 3.904 0.030 1 500 49 49 GLU HB2 H 2.154 0.030 2 501 49 49 GLU HB3 H 2.012 0.030 2 502 49 49 GLU HG2 H 2.308 0.030 1 503 49 49 GLU HG3 H 2.308 0.030 1 504 49 49 GLU C C 179.133 0.300 1 505 49 49 GLU CA C 60.398 0.300 1 506 49 49 GLU CB C 28.918 0.300 1 507 49 49 GLU CG C 37.072 0.300 1 508 49 49 GLU N N 119.798 0.300 1 509 50 50 ALA H H 7.725 0.030 1 510 50 50 ALA HA H 4.019 0.030 1 511 50 50 ALA HB H 1.466 0.030 1 512 50 50 ALA C C 179.739 0.300 1 513 50 50 ALA CA C 54.277 0.300 1 514 50 50 ALA CB C 18.523 0.300 1 515 50 50 ALA N N 121.126 0.300 1 516 51 51 ALA H H 7.707 0.030 1 517 51 51 ALA HA H 2.874 0.030 1 518 51 51 ALA HB H 1.006 0.030 1 519 51 51 ALA C C 179.448 0.300 1 520 51 51 ALA CA C 54.593 0.300 1 521 51 51 ALA CB C 19.263 0.300 1 522 51 51 ALA N N 120.354 0.300 1 523 52 52 VAL H H 8.571 0.030 1 524 52 52 VAL HA H 3.557 0.030 1 525 52 52 VAL HB H 2.169 0.030 1 526 52 52 VAL HG1 H 0.872 0.030 1 527 52 52 VAL HG2 H 1.062 0.030 1 528 52 52 VAL C C 177.873 0.300 1 529 52 52 VAL CA C 66.238 0.300 1 530 52 52 VAL CB C 31.925 0.300 1 531 52 52 VAL CG1 C 21.411 0.300 2 532 52 52 VAL CG2 C 23.567 0.300 2 533 52 52 VAL N N 117.641 0.300 1 534 53 53 GLN H H 7.787 0.030 1 535 53 53 GLN HA H 3.966 0.030 1 536 53 53 GLN HB2 H 2.090 0.030 1 537 53 53 GLN HB3 H 2.090 0.030 1 538 53 53 GLN HE21 H 7.513 0.030 2 539 53 53 GLN HE22 H 6.864 0.030 2 540 53 53 GLN HG2 H 2.436 0.030 1 541 53 53 GLN HG3 H 2.436 0.030 1 542 53 53 GLN C C 177.510 0.300 1 543 53 53 GLN CA C 58.217 0.300 1 544 53 53 GLN CB C 28.389 0.300 1 545 53 53 GLN CG C 33.866 0.300 1 546 53 53 GLN N N 118.633 0.300 1 547 53 53 GLN NE2 N 112.883 0.300 1 548 54 54 ASP H H 7.647 0.030 1 549 54 54 ASP HA H 4.511 0.030 1 550 54 54 ASP HB2 H 2.619 0.030 2 551 54 54 ASP HB3 H 2.768 0.030 2 552 54 54 ASP C C 177.486 0.300 1 553 54 54 ASP CA C 56.176 0.300 1 554 54 54 ASP CB C 41.380 0.300 1 555 54 54 ASP N N 118.453 0.300 1 556 55 55 ARG H H 7.638 0.030 1 557 55 55 ARG HA H 4.273 0.030 1 558 55 55 ARG HB2 H 1.939 0.030 2 559 55 55 ARG HB3 H 2.014 0.030 2 560 55 55 ARG HD2 H 3.315 0.030 2 561 55 55 ARG HD3 H 3.177 0.030 2 562 55 55 ARG HG2 H 1.725 0.030 1 563 55 55 ARG HG3 H 1.725 0.030 1 564 55 55 ARG C C 177.873 0.300 1 565 55 55 ARG CA C 57.373 0.300 1 566 55 55 ARG CB C 30.034 0.300 1 567 55 55 ARG CD C 43.138 0.300 1 568 55 55 ARG CG C 27.042 0.300 1 569 55 55 ARG N N 118.649 0.300 1 570 56 56 LEU H H 8.172 0.030 1 571 56 56 LEU HA H 4.203 0.030 1 572 56 56 LEU HB2 H 1.561 0.030 2 573 56 56 LEU HB3 H 1.768 0.030 2 574 56 56 LEU HD1 H 0.868 0.030 1 575 56 56 LEU HD2 H 0.841 0.030 1 576 56 56 LEU HG H 1.703 0.030 1 577 56 56 LEU C C 178.406 0.300 1 578 56 56 LEU CA C 56.594 0.300 1 579 56 56 LEU CB C 41.626 0.300 1 580 56 56 LEU CD1 C 25.185 0.300 2 581 56 56 LEU CD2 C 22.987 0.300 2 582 56 56 LEU CG C 26.959 0.300 1 583 56 56 LEU N N 120.356 0.300 1 584 57 57 ASN H H 8.143 0.030 1 585 57 57 ASN HA H 4.629 0.030 1 586 57 57 ASN HB2 H 2.889 0.030 1 587 57 57 ASN HB3 H 2.889 0.030 1 588 57 57 ASN HD21 H 7.719 0.030 2 589 57 57 ASN HD22 H 6.923 0.030 2 590 57 57 ASN C C 176.226 0.300 1 591 57 57 ASN CA C 54.277 0.300 1 592 57 57 ASN CB C 38.580 0.300 1 593 57 57 ASN N N 118.003 0.300 1 594 57 57 ASN ND2 N 112.715 0.300 1 595 58 58 GLU H H 8.111 0.030 1 596 58 58 GLU HA H 4.224 0.030 1 597 58 58 GLU HB2 H 2.125 0.030 2 598 58 58 GLU HB3 H 2.052 0.030 2 599 58 58 GLU HG2 H 2.305 0.030 1 600 58 58 GLU HG3 H 2.305 0.030 1 601 58 58 GLU C C 177.219 0.300 1 602 58 58 GLU CA C 57.443 0.300 1 603 58 58 GLU CB C 30.280 0.300 1 604 58 58 GLU CG C 36.332 0.300 1 605 58 58 GLU N N 120.788 0.300 1 606 59 59 GLN H H 8.219 0.030 1 607 59 59 GLN HA H 4.289 0.030 1 608 59 59 GLN HB2 H 2.056 0.030 2 609 59 59 GLN HB3 H 2.147 0.030 2 610 59 59 GLN HE21 H 7.545 0.030 2 611 59 59 GLN HE22 H 6.824 0.030 2 612 59 59 GLN HG2 H 2.405 0.030 1 613 59 59 GLN HG3 H 2.405 0.030 1 614 59 59 GLN C C 176.541 0.300 1 615 59 59 GLN CA C 56.387 0.300 1 616 59 59 GLN CB C 29.577 0.300 1 617 59 59 GLN CG C 33.948 0.300 1 618 59 59 GLN N N 119.819 0.300 1 619 59 59 GLN NE2 N 112.342 0.300 1 620 60 60 GLU H H 8.346 0.030 1 621 60 60 GLU HA H 4.266 0.030 1 622 60 60 GLU HB2 H 2.059 0.030 1 623 60 60 GLU HB3 H 2.059 0.030 1 624 60 60 GLU HG2 H 2.305 0.030 1 625 60 60 GLU HG3 H 2.305 0.030 1 626 60 60 GLU C C 177.316 0.300 1 627 60 60 GLU CA C 57.197 0.300 1 628 60 60 GLU CB C 30.280 0.300 1 629 60 60 GLU CG C 36.250 0.300 1 630 60 60 GLU N N 121.672 0.300 1 631 61 61 GLY H H 8.368 0.030 1 632 61 61 GLY HA2 H 4.018 0.030 1 633 61 61 GLY HA3 H 4.018 0.030 1 634 61 61 GLY C C 174.385 0.300 1 635 61 61 GLY CA C 45.552 0.300 1 636 61 61 GLY N N 109.925 0.300 1 637 62 62 SER H H 8.215 0.030 1 638 62 62 SER C C 174.797 0.300 1 639 62 62 SER CA C 58.498 0.300 1 640 62 62 SER CB C 64.109 0.300 1 641 62 62 SER N N 115.498 0.300 1 642 64 64 PRO HA H 4.486 0.030 1 643 64 64 PRO HB2 H 1.987 0.030 2 644 64 64 PRO HB3 H 2.313 0.030 2 645 64 64 PRO HD2 H 3.639 0.030 1 646 64 64 PRO HD3 H 3.639 0.030 1 647 64 64 PRO HG2 H 2.058 0.030 1 648 64 64 PRO HG3 H 2.058 0.030 1 649 64 64 PRO C C 177.462 0.300 1 650 64 64 PRO CA C 63.248 0.300 1 651 64 64 PRO CB C 32.171 0.300 1 652 64 64 PRO CD C 49.899 0.300 1 653 64 64 PRO CG C 27.042 0.300 1 654 65 65 SER H H 8.553 0.030 1 655 65 65 SER HA H 4.522 0.030 1 656 65 65 SER HB2 H 3.926 0.030 1 657 65 65 SER HB3 H 3.926 0.030 1 658 65 65 SER C C 174.748 0.300 1 659 65 65 SER CA C 58.393 0.300 1 660 65 65 SER CB C 63.990 0.300 1 661 65 65 SER N N 116.526 0.300 1 662 66 66 SER H H 8.363 0.030 1 663 66 66 SER C C 174.070 0.300 1 664 66 66 SER CA C 58.393 0.300 1 665 66 66 SER CB C 63.990 0.300 1 666 66 66 SER N N 117.999 0.300 1 stop_ save_