data_11326 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the RING domain of the human RING finger protein 146 ; _BMRB_accession_number 11326 _BMRB_flat_file_name bmr11326.str _Entry_type original _Submission_date 2010-08-10 _Accession_date 2010-08-10 _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 Miyamoto K. . . 2 Kigawa T. . . 3 Sato 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" 352 "13C chemical shifts" 266 "15N chemical shifts" 56 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-19 original author . stop_ _Original_release_date 2011-08-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the RING domain of the human RING finger protein 146' _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 Miyamoto K. . . 2 Kigawa T. . . 3 Sato 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 'RING finger protein 146' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RING domain' $entity_1 'ZINC ION no.1' $ZN 'ZINC ION no.2' $ZN 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 'RING domain' _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 71 _Mol_residue_sequence ; GSSGSSGNTAPSLTVPECAI CLQTCVHPVSLPCKHVFCYL CVKGASWLGKRCALCRQEIP EDFLDSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ASN 9 THR 10 ALA 11 PRO 12 SER 13 LEU 14 THR 15 VAL 16 PRO 17 GLU 18 CYS 19 ALA 20 ILE 21 CYS 22 LEU 23 GLN 24 THR 25 CYS 26 VAL 27 HIS 28 PRO 29 VAL 30 SER 31 LEU 32 PRO 33 CYS 34 LYS 35 HIS 36 VAL 37 PHE 38 CYS 39 TYR 40 LEU 41 CYS 42 VAL 43 LYS 44 GLY 45 ALA 46 SER 47 TRP 48 LEU 49 GLY 50 LYS 51 ARG 52 CYS 53 ALA 54 LEU 55 CYS 56 ARG 57 GLN 58 GLU 59 ILE 60 PRO 61 GLU 62 ASP 63 PHE 64 LEU 65 ASP 66 SER 67 GLY 68 PRO 69 SER 70 SER 71 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-15 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 2D8T "Solution Structure Of The Ring Domain Of The Human Ring Finger Protein 146" 100.00 71 100.00 100.00 1.42e-42 PDB 4QPL "Crystal Structure Of Rnf146(ring-wwe)/ubch5a/iso-adpr Complex" 77.46 155 98.18 98.18 2.90e-31 DBJ BAB28015 "unnamed protein product [Mus musculus]" 81.69 359 100.00 100.00 6.70e-34 DBJ BAB55108 "unnamed protein product [Homo sapiens]" 81.69 358 98.28 98.28 7.10e-33 DBJ BAB55196 "unnamed protein product [Homo sapiens]" 81.69 359 100.00 100.00 4.12e-34 DBJ BAB55359 "unnamed protein product [Homo sapiens]" 81.69 358 98.28 100.00 9.39e-34 DBJ BAE31549 "unnamed protein product [Mus musculus]" 81.69 359 100.00 100.00 6.42e-34 EMBL CAB66763 "hypothetical protein [Homo sapiens]" 81.69 358 100.00 100.00 4.23e-34 EMBL CAC85986 "dactylidin [Homo sapiens]" 81.69 358 100.00 100.00 4.23e-34 EMBL CAG38545 "RNF146 [Homo sapiens]" 81.69 358 100.00 100.00 4.02e-34 EMBL CAH89794 "hypothetical protein [Pongo abelii]" 81.69 358 100.00 100.00 4.79e-34 EMBL CAH90287 "hypothetical protein [Pongo abelii]" 81.69 357 100.00 100.00 4.58e-34 GB AAH08235 "Ring finger protein 146 [Homo sapiens]" 81.69 358 100.00 100.00 4.23e-34 GB AAH50795 "Ring finger protein 146 [Mus musculus]" 81.69 359 100.00 100.00 6.70e-34 GB AAH83675 "Ring finger protein 146 [Rattus norvegicus]" 81.69 352 100.00 100.00 7.78e-34 GB AAI02140 "Ring finger protein 146 [Bos taurus]" 81.69 347 100.00 100.00 6.87e-34 GB AIC52443 "RNF146, partial [synthetic construct]" 81.69 358 100.00 100.00 4.23e-34 REF NP_001012060 "E3 ubiquitin-protein ligase RNF146 [Rattus norvegicus]" 81.69 355 100.00 100.00 6.67e-34 REF NP_001070448 "E3 ubiquitin-protein ligase RNF146-B [Bos taurus]" 81.69 347 100.00 100.00 6.87e-34 REF NP_001103666 "E3 ubiquitin-protein ligase RNF146 [Mus musculus]" 81.69 359 100.00 100.00 6.70e-34 REF NP_001103667 "E3 ubiquitin-protein ligase RNF146 [Mus musculus]" 81.69 359 100.00 100.00 6.70e-34 REF NP_001103668 "E3 ubiquitin-protein ligase RNF146 [Mus musculus]" 81.69 359 100.00 100.00 6.70e-34 SP E1B7X3 "RecName: Full=E3 ubiquitin-protein ligase RNF146-A; AltName: Full=RING finger protein 146-A" 81.69 346 100.00 100.00 6.76e-34 SP Q2PFU6 "RecName: Full=E3 ubiquitin-protein ligase RNF146; AltName: Full=Iduna; AltName: Full=RING finger protein 146" 81.69 360 100.00 100.00 3.69e-34 SP Q3T139 "RecName: Full=E3 ubiquitin-protein ligase RNF146-B; AltName: Full=RING finger protein 146-B" 81.69 347 100.00 100.00 6.87e-34 SP Q5REL3 "RecName: Full=E3 ubiquitin-protein ligase RNF146; AltName: Full=Iduna; AltName: Full=RING finger protein 146" 81.69 358 100.00 100.00 4.79e-34 SP Q5XIK5 "RecName: Full=E3 ubiquitin-protein ligase RNF146; AltName: Full=Iduna; AltName: Full=RING finger protein 146" 81.69 352 100.00 100.00 7.78e-34 TPG DAA20901 "TPA: ring finger protein 146-like [Bos taurus]" 81.69 346 100.00 100.00 6.76e-34 TPG DAA26356 "TPA: ring finger protein 146 [Bos taurus]" 81.69 347 100.00 100.00 6.87e-34 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . 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 P050302-12 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.34mM RING domain U-13C, {15N;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM {ZNCl2;} 1.0mM {IDA;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.34 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' ZnCl2 0.05 mM 'natural abundance' IDA 1.0 mM '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 20031121 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 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'RING 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 8 8 ASN HA H 4.791 0.030 1 2 8 8 ASN HB2 H 2.743 0.030 2 3 8 8 ASN HB3 H 2.833 0.030 2 4 8 8 ASN HD21 H 6.912 0.030 2 5 8 8 ASN HD22 H 7.576 0.030 2 6 8 8 ASN C C 175.435 0.300 1 7 8 8 ASN CA C 53.178 0.300 1 8 8 8 ASN CB C 38.899 0.300 1 9 8 8 ASN ND2 N 112.795 0.300 1 10 9 9 THR H H 8.155 0.030 1 11 9 9 THR HA H 4.302 0.030 1 12 9 9 THR HB H 4.194 0.030 1 13 9 9 THR HG2 H 1.180 0.030 1 14 9 9 THR C C 173.986 0.300 1 15 9 9 THR CA C 61.685 0.300 1 16 9 9 THR CB C 69.853 0.300 1 17 9 9 THR CG2 C 21.645 0.300 1 18 9 9 THR N N 114.725 0.300 1 19 10 10 ALA H H 8.331 0.030 1 20 10 10 ALA HA H 4.586 0.030 1 21 10 10 ALA HB H 1.356 0.030 1 22 10 10 ALA C C 175.481 0.300 1 23 10 10 ALA CA C 50.604 0.300 1 24 10 10 ALA CB C 18.245 0.300 1 25 10 10 ALA N N 128.144 0.300 1 26 11 11 PRO HA H 4.420 0.030 1 27 11 11 PRO HB2 H 2.282 0.030 2 28 11 11 PRO HB3 H 1.892 0.030 2 29 11 11 PRO HD2 H 3.644 0.030 2 30 11 11 PRO HD3 H 3.793 0.030 2 31 11 11 PRO HG2 H 1.969 0.030 2 32 11 11 PRO HG3 H 1.850 0.030 2 33 11 11 PRO C C 176.927 0.300 1 34 11 11 PRO CA C 63.025 0.300 1 35 11 11 PRO CB C 32.100 0.300 1 36 11 11 PRO CD C 50.503 0.300 1 37 11 11 PRO CG C 27.330 0.300 1 38 12 12 SER H H 8.375 0.030 1 39 12 12 SER HA H 4.415 0.030 1 40 12 12 SER HB2 H 3.838 0.030 1 41 12 12 SER HB3 H 3.838 0.030 1 42 12 12 SER C C 174.524 0.300 1 43 12 12 SER CA C 58.158 0.300 1 44 12 12 SER CB C 63.751 0.300 1 45 12 12 SER N N 115.886 0.300 1 46 13 13 LEU H H 8.328 0.030 1 47 13 13 LEU HA H 4.423 0.030 1 48 13 13 LEU HB2 H 1.613 0.030 1 49 13 13 LEU HB3 H 1.613 0.030 1 50 13 13 LEU HD1 H 0.909 0.030 1 51 13 13 LEU HD2 H 0.856 0.030 1 52 13 13 LEU HG H 1.612 0.030 1 53 13 13 LEU C C 177.388 0.300 1 54 13 13 LEU CA C 55.152 0.300 1 55 13 13 LEU CB C 42.403 0.300 1 56 13 13 LEU CD1 C 24.914 0.300 2 57 13 13 LEU CD2 C 23.425 0.300 2 58 13 13 LEU CG C 27.044 0.300 1 59 13 13 LEU N N 124.390 0.300 1 60 14 14 THR H H 8.151 0.030 1 61 14 14 THR HA H 4.296 0.030 1 62 14 14 THR HB H 4.099 0.030 1 63 14 14 THR HG2 H 1.131 0.030 1 64 14 14 THR C C 174.109 0.300 1 65 14 14 THR CA C 61.834 0.300 1 66 14 14 THR CB C 69.869 0.300 1 67 14 14 THR CG2 C 21.702 0.300 1 68 14 14 THR N N 115.827 0.300 1 69 15 15 VAL H H 8.249 0.030 1 70 15 15 VAL HA H 4.373 0.030 1 71 15 15 VAL HB H 1.963 0.030 1 72 15 15 VAL HG1 H 1.063 0.030 1 73 15 15 VAL HG2 H 0.955 0.030 1 74 15 15 VAL C C 174.060 0.300 1 75 15 15 VAL CA C 59.845 0.300 1 76 15 15 VAL CB C 32.937 0.300 1 77 15 15 VAL CG1 C 21.661 0.300 2 78 15 15 VAL CG2 C 20.980 0.300 2 79 15 15 VAL N N 126.277 0.300 1 80 16 16 PRO HA H 4.453 0.030 1 81 16 16 PRO HB2 H 2.231 0.030 2 82 16 16 PRO HB3 H 1.878 0.030 2 83 16 16 PRO HD2 H 3.603 0.030 2 84 16 16 PRO HD3 H 3.800 0.030 2 85 16 16 PRO HG2 H 1.849 0.030 2 86 16 16 PRO HG3 H 1.966 0.030 2 87 16 16 PRO C C 175.620 0.300 1 88 16 16 PRO CA C 62.845 0.300 1 89 16 16 PRO CB C 32.634 0.300 1 90 16 16 PRO CD C 51.052 0.300 1 91 16 16 PRO CG C 27.385 0.300 1 92 17 17 GLU H H 8.249 0.030 1 93 17 17 GLU HA H 4.234 0.030 1 94 17 17 GLU HB2 H 1.784 0.030 2 95 17 17 GLU HB3 H 1.656 0.030 2 96 17 17 GLU HG2 H 1.939 0.030 1 97 17 17 GLU HG3 H 1.939 0.030 1 98 17 17 GLU C C 175.489 0.300 1 99 17 17 GLU CA C 56.048 0.300 1 100 17 17 GLU CB C 31.412 0.300 1 101 17 17 GLU CG C 37.015 0.300 1 102 17 17 GLU N N 120.222 0.300 1 103 18 18 CYS H H 8.846 0.030 1 104 18 18 CYS HA H 4.243 0.030 1 105 18 18 CYS HB2 H 3.655 0.030 2 106 18 18 CYS HB3 H 3.541 0.030 2 107 18 18 CYS C C 177.770 0.300 1 108 18 18 CYS CA C 59.396 0.300 1 109 18 18 CYS CB C 32.986 0.300 1 110 18 18 CYS N N 129.074 0.300 1 111 19 19 ALA H H 8.835 0.030 1 112 19 19 ALA HA H 4.352 0.030 1 113 19 19 ALA HB H 1.496 0.030 1 114 19 19 ALA C C 177.425 0.300 1 115 19 19 ALA CA C 53.816 0.300 1 116 19 19 ALA CB C 19.272 0.300 1 117 19 19 ALA N N 130.742 0.300 1 118 20 20 ILE H H 9.264 0.030 1 119 20 20 ILE HA H 4.136 0.030 1 120 20 20 ILE HB H 2.050 0.030 1 121 20 20 ILE HD1 H 0.392 0.030 1 122 20 20 ILE HG12 H 0.922 0.030 2 123 20 20 ILE HG13 H 1.608 0.030 2 124 20 20 ILE HG2 H 0.998 0.030 1 125 20 20 ILE C C 176.561 0.300 1 126 20 20 ILE CA C 64.391 0.300 1 127 20 20 ILE CB C 38.911 0.300 1 128 20 20 ILE CD1 C 13.402 0.300 1 129 20 20 ILE CG1 C 28.533 0.300 1 130 20 20 ILE CG2 C 17.029 0.300 1 131 20 20 ILE N N 119.712 0.300 1 132 21 21 CYS H H 8.483 0.030 1 133 21 21 CYS HA H 4.791 0.030 1 134 21 21 CYS HB2 H 3.210 0.030 2 135 21 21 CYS HB3 H 3.041 0.030 2 136 21 21 CYS C C 176.355 0.300 1 137 21 21 CYS CA C 59.325 0.300 1 138 21 21 CYS CB C 31.735 0.300 1 139 21 21 CYS N N 119.354 0.300 1 140 22 22 LEU H H 8.184 0.030 1 141 22 22 LEU HA H 4.178 0.030 1 142 22 22 LEU HB2 H 2.096 0.030 2 143 22 22 LEU HB3 H 1.623 0.030 2 144 22 22 LEU HD1 H 0.871 0.030 1 145 22 22 LEU HD2 H 0.811 0.030 1 146 22 22 LEU HG H 1.392 0.030 1 147 22 22 LEU C C 175.760 0.300 1 148 22 22 LEU CA C 56.523 0.300 1 149 22 22 LEU CB C 37.973 0.300 1 150 22 22 LEU CD1 C 25.233 0.300 2 151 22 22 LEU CD2 C 22.699 0.300 2 152 22 22 LEU CG C 27.272 0.300 1 153 22 22 LEU N N 119.255 0.300 1 154 23 23 GLN H H 8.116 0.030 1 155 23 23 GLN HA H 4.714 0.030 1 156 23 23 GLN HB2 H 2.204 0.030 1 157 23 23 GLN HB3 H 2.204 0.030 1 158 23 23 GLN HE21 H 7.473 0.030 2 159 23 23 GLN HE22 H 6.822 0.030 2 160 23 23 GLN HG2 H 2.403 0.030 1 161 23 23 GLN HG3 H 2.403 0.030 1 162 23 23 GLN C C 175.578 0.300 1 163 23 23 GLN CA C 53.325 0.300 1 164 23 23 GLN CB C 31.513 0.300 1 165 23 23 GLN CG C 34.048 0.300 1 166 23 23 GLN N N 118.008 0.300 1 167 23 23 GLN NE2 N 113.264 0.300 1 168 24 24 THR H H 8.332 0.030 1 169 24 24 THR HA H 3.943 0.030 1 170 24 24 THR HB H 3.824 0.030 1 171 24 24 THR HG2 H 1.188 0.030 1 172 24 24 THR C C 174.550 0.300 1 173 24 24 THR CA C 64.884 0.300 1 174 24 24 THR CB C 69.189 0.300 1 175 24 24 THR CG2 C 22.424 0.300 1 176 24 24 THR N N 117.555 0.300 1 177 25 25 CYS H H 8.346 0.030 1 178 25 25 CYS HA H 5.074 0.030 1 179 25 25 CYS HB2 H 2.685 0.030 2 180 25 25 CYS HB3 H 2.183 0.030 2 181 25 25 CYS C C 174.966 0.300 1 182 25 25 CYS CA C 60.417 0.300 1 183 25 25 CYS CB C 28.882 0.300 1 184 25 25 CYS N N 122.860 0.300 1 185 26 26 VAL H H 8.521 0.030 1 186 26 26 VAL HA H 3.930 0.030 1 187 26 26 VAL HB H 2.055 0.030 1 188 26 26 VAL HG1 H 0.972 0.030 1 189 26 26 VAL HG2 H 0.822 0.030 1 190 26 26 VAL C C 176.635 0.300 1 191 26 26 VAL CA C 62.392 0.300 1 192 26 26 VAL CB C 32.856 0.300 1 193 26 26 VAL CG1 C 21.318 0.300 2 194 26 26 VAL CG2 C 21.022 0.300 2 195 26 26 VAL N N 127.139 0.300 1 196 27 27 HIS H H 9.336 0.030 1 197 27 27 HIS HA H 4.488 0.030 1 198 27 27 HIS HB2 H 3.318 0.030 2 199 27 27 HIS HB3 H 3.397 0.030 2 200 27 27 HIS HD2 H 6.974 0.030 1 201 27 27 HIS HE1 H 7.792 0.030 1 202 27 27 HIS CA C 56.048 0.300 1 203 27 27 HIS CB C 29.135 0.300 1 204 27 27 HIS CD2 C 119.047 0.300 1 205 27 27 HIS CE1 C 137.313 0.300 1 206 27 27 HIS N N 124.192 0.300 1 207 28 28 PRO HA H 4.502 0.030 1 208 28 28 PRO HB2 H 1.860 0.030 1 209 28 28 PRO HB3 H 1.860 0.030 1 210 28 28 PRO HD2 H 3.278 0.030 2 211 28 28 PRO HD3 H 3.795 0.030 2 212 28 28 PRO HG2 H 2.171 0.030 2 213 28 28 PRO HG3 H 2.068 0.030 2 214 28 28 PRO CA C 62.774 0.300 1 215 28 28 PRO CB C 32.257 0.300 1 216 28 28 PRO CD C 50.849 0.300 1 217 28 28 PRO CG C 27.725 0.300 1 218 29 29 VAL H H 9.426 0.030 1 219 29 29 VAL HA H 4.508 0.030 1 220 29 29 VAL HB H 2.182 0.030 1 221 29 29 VAL HG1 H 1.166 0.030 1 222 29 29 VAL HG2 H 1.125 0.030 1 223 29 29 VAL CA C 60.402 0.300 1 224 29 29 VAL CB C 35.142 0.300 1 225 29 29 VAL CG1 C 21.010 0.300 2 226 29 29 VAL CG2 C 21.834 0.300 2 227 29 29 VAL N N 121.271 0.300 1 228 30 30 SER H H 8.471 0.030 1 229 30 30 SER HA H 5.027 0.030 1 230 30 30 SER HB2 H 3.776 0.030 2 231 30 30 SER HB3 H 3.688 0.030 2 232 30 30 SER CA C 56.473 0.300 1 233 30 30 SER CB C 63.735 0.300 1 234 30 30 SER N N 119.367 0.300 1 235 31 31 LEU H H 8.627 0.030 1 236 31 31 LEU HA H 4.528 0.030 1 237 31 31 LEU HB2 H 1.756 0.030 2 238 31 31 LEU HB3 H 2.481 0.030 2 239 31 31 LEU HD1 H 1.141 0.030 1 240 31 31 LEU HD2 H 0.822 0.030 1 241 31 31 LEU HG H 2.037 0.030 1 242 31 31 LEU CA C 54.259 0.300 1 243 31 31 LEU CB C 41.484 0.300 1 244 31 31 LEU CD1 C 26.216 0.300 2 245 31 31 LEU CD2 C 22.730 0.300 2 246 31 31 LEU CG C 27.952 0.300 1 247 31 31 LEU N N 125.001 0.300 1 248 32 32 PRO HA H 4.288 0.030 1 249 32 32 PRO HB2 H 2.384 0.030 2 250 32 32 PRO HB3 H 1.883 0.030 2 251 32 32 PRO HD2 H 2.986 0.030 2 252 32 32 PRO HD3 H 3.659 0.030 2 253 32 32 PRO HG2 H 1.876 0.030 2 254 32 32 PRO HG3 H 1.794 0.030 2 255 32 32 PRO C C 176.486 0.300 1 256 32 32 PRO CA C 65.818 0.300 1 257 32 32 PRO CB C 31.442 0.300 1 258 32 32 PRO CD C 49.733 0.300 1 259 32 32 PRO CG C 28.186 0.300 1 260 33 33 CYS H H 7.214 0.030 1 261 33 33 CYS HA H 4.327 0.030 1 262 33 33 CYS HB2 H 3.057 0.030 2 263 33 33 CYS HB3 H 2.559 0.030 2 264 33 33 CYS C C 174.880 0.300 1 265 33 33 CYS CA C 57.797 0.300 1 266 33 33 CYS CB C 31.306 0.300 1 267 33 33 CYS N N 112.212 0.300 1 268 34 34 LYS H H 8.189 0.030 1 269 34 34 LYS HA H 3.684 0.030 1 270 34 34 LYS HB2 H 1.852 0.030 2 271 34 34 LYS HB3 H 2.174 0.030 2 272 34 34 LYS HD2 H 1.553 0.030 2 273 34 34 LYS HD3 H 1.633 0.030 2 274 34 34 LYS HE2 H 2.954 0.030 1 275 34 34 LYS HE3 H 2.954 0.030 1 276 34 34 LYS HG2 H 1.288 0.030 2 277 34 34 LYS HG3 H 1.244 0.030 2 278 34 34 LYS C C 176.188 0.300 1 279 34 34 LYS CA C 58.493 0.300 1 280 34 34 LYS CB C 28.644 0.300 1 281 34 34 LYS CD C 28.741 0.300 1 282 34 34 LYS CE C 42.283 0.300 1 283 34 34 LYS CG C 25.168 0.300 1 284 34 34 LYS N N 113.617 0.300 1 285 35 35 HIS H H 7.872 0.030 1 286 35 35 HIS HA H 4.569 0.030 1 287 35 35 HIS HB2 H 3.405 0.030 2 288 35 35 HIS HB3 H 2.818 0.030 2 289 35 35 HIS HD2 H 7.230 0.030 1 290 35 35 HIS HE1 H 7.762 0.030 1 291 35 35 HIS C C 173.023 0.300 1 292 35 35 HIS CA C 60.205 0.300 1 293 35 35 HIS CB C 31.639 0.300 1 294 35 35 HIS CD2 C 118.851 0.300 1 295 35 35 HIS CE1 C 137.681 0.300 1 296 35 35 HIS N N 121.903 0.300 1 297 36 36 VAL H H 7.877 0.030 1 298 36 36 VAL HA H 5.044 0.030 1 299 36 36 VAL HB H 1.639 0.030 1 300 36 36 VAL HG1 H 0.841 0.030 1 301 36 36 VAL HG2 H 0.846 0.030 1 302 36 36 VAL C C 173.745 0.300 1 303 36 36 VAL CA C 60.827 0.300 1 304 36 36 VAL CB C 34.316 0.300 1 305 36 36 VAL CG1 C 21.984 0.300 2 306 36 36 VAL CG2 C 21.454 0.300 2 307 36 36 VAL N N 121.808 0.300 1 308 37 37 PHE H H 8.249 0.030 1 309 37 37 PHE HA H 5.510 0.030 1 310 37 37 PHE HB2 H 3.502 0.030 2 311 37 37 PHE HB3 H 2.409 0.030 2 312 37 37 PHE HD1 H 7.385 0.030 1 313 37 37 PHE HD2 H 7.385 0.030 1 314 37 37 PHE HE1 H 7.389 0.030 1 315 37 37 PHE HE2 H 7.389 0.030 1 316 37 37 PHE HZ H 7.327 0.030 1 317 37 37 PHE C C 175.489 0.300 1 318 37 37 PHE CA C 55.455 0.300 1 319 37 37 PHE CB C 45.769 0.300 1 320 37 37 PHE CD1 C 132.627 0.300 1 321 37 37 PHE CD2 C 132.627 0.300 1 322 37 37 PHE CE1 C 131.272 0.300 1 323 37 37 PHE CE2 C 131.272 0.300 1 324 37 37 PHE CZ C 129.413 0.300 1 325 37 37 PHE N N 120.643 0.300 1 326 38 38 CYS H H 8.977 0.030 1 327 38 38 CYS HA H 4.204 0.030 1 328 38 38 CYS HB2 H 3.673 0.030 2 329 38 38 CYS HB3 H 3.407 0.030 2 330 38 38 CYS C C 178.650 0.300 1 331 38 38 CYS CA C 60.510 0.300 1 332 38 38 CYS CB C 31.641 0.300 1 333 38 38 CYS N N 122.969 0.300 1 334 39 39 TYR H H 8.496 0.030 1 335 39 39 TYR HA H 4.079 0.030 1 336 39 39 TYR HB2 H 3.575 0.030 2 337 39 39 TYR HB3 H 2.959 0.030 2 338 39 39 TYR HD1 H 6.948 0.030 1 339 39 39 TYR HD2 H 6.948 0.030 1 340 39 39 TYR HE1 H 6.750 0.030 1 341 39 39 TYR HE2 H 6.750 0.030 1 342 39 39 TYR C C 177.339 0.300 1 343 39 39 TYR CA C 62.868 0.300 1 344 39 39 TYR CB C 38.768 0.300 1 345 39 39 TYR CD1 C 133.040 0.300 1 346 39 39 TYR CD2 C 133.040 0.300 1 347 39 39 TYR CE1 C 118.117 0.300 1 348 39 39 TYR CE2 C 118.117 0.300 1 349 39 39 TYR N N 125.245 0.300 1 350 40 40 LEU H H 8.955 0.030 1 351 40 40 LEU HA H 3.921 0.030 1 352 40 40 LEU HB2 H 1.952 0.030 2 353 40 40 LEU HB3 H 1.562 0.030 2 354 40 40 LEU HD1 H 1.022 0.030 1 355 40 40 LEU HD2 H 0.944 0.030 1 356 40 40 LEU HG H 1.877 0.030 1 357 40 40 LEU C C 180.488 0.300 1 358 40 40 LEU CA C 57.173 0.300 1 359 40 40 LEU CB C 41.289 0.300 1 360 40 40 LEU CD1 C 25.232 0.300 2 361 40 40 LEU CD2 C 22.801 0.300 2 362 40 40 LEU CG C 27.272 0.300 1 363 40 40 LEU N N 114.217 0.300 1 364 41 41 CYS H H 7.352 0.030 1 365 41 41 CYS HA H 4.116 0.030 1 366 41 41 CYS HB2 H 3.125 0.030 2 367 41 41 CYS HB3 H 2.893 0.030 2 368 41 41 CYS C C 177.220 0.300 1 369 41 41 CYS CA C 64.174 0.300 1 370 41 41 CYS CB C 29.342 0.300 1 371 41 41 CYS N N 119.455 0.300 1 372 42 42 VAL H H 7.604 0.030 1 373 42 42 VAL HA H 3.547 0.030 1 374 42 42 VAL HB H 1.844 0.030 1 375 42 42 VAL HG1 H 0.770 0.030 1 376 42 42 VAL HG2 H 0.770 0.030 1 377 42 42 VAL C C 176.905 0.300 1 378 42 42 VAL CA C 64.118 0.300 1 379 42 42 VAL CB C 31.700 0.300 1 380 42 42 VAL CG1 C 21.505 0.300 2 381 42 42 VAL CG2 C 22.878 0.300 2 382 42 42 VAL N N 116.476 0.300 1 383 43 43 LYS H H 7.851 0.030 1 384 43 43 LYS HA H 3.758 0.030 1 385 43 43 LYS HB2 H 1.523 0.030 2 386 43 43 LYS HB3 H 1.280 0.030 2 387 43 43 LYS HD2 H 1.382 0.030 1 388 43 43 LYS HD3 H 1.382 0.030 1 389 43 43 LYS HE2 H 2.812 0.030 1 390 43 43 LYS HE3 H 2.812 0.030 1 391 43 43 LYS HG2 H 1.100 0.030 1 392 43 43 LYS HG3 H 1.100 0.030 1 393 43 43 LYS C C 177.782 0.300 1 394 43 43 LYS CA C 58.027 0.300 1 395 43 43 LYS CB C 32.226 0.300 1 396 43 43 LYS CD C 29.100 0.300 1 397 43 43 LYS CE C 42.106 0.300 1 398 43 43 LYS CG C 24.544 0.300 1 399 43 43 LYS N N 120.134 0.300 1 400 44 44 GLY H H 7.644 0.030 1 401 44 44 GLY HA2 H 4.032 0.030 2 402 44 44 GLY HA3 H 3.789 0.030 2 403 44 44 GLY C C 174.514 0.300 1 404 44 44 GLY CA C 45.538 0.300 1 405 44 44 GLY N N 105.501 0.300 1 406 45 45 ALA H H 7.539 0.030 1 407 45 45 ALA HA H 4.146 0.030 1 408 45 45 ALA HB H 1.038 0.030 1 409 45 45 ALA C C 178.741 0.300 1 410 45 45 ALA CA C 52.441 0.300 1 411 45 45 ALA CB C 18.283 0.300 1 412 45 45 ALA N N 123.143 0.300 1 413 46 46 SER H H 8.294 0.030 1 414 46 46 SER HA H 4.249 0.030 1 415 46 46 SER HB2 H 3.857 0.030 1 416 46 46 SER HB3 H 3.857 0.030 1 417 46 46 SER C C 175.367 0.300 1 418 46 46 SER CA C 60.212 0.300 1 419 46 46 SER CB C 62.963 0.300 1 420 47 47 TRP H H 7.632 0.030 1 421 47 47 TRP HA H 4.525 0.030 1 422 47 47 TRP HB2 H 3.435 0.030 2 423 47 47 TRP HB3 H 3.286 0.030 2 424 47 47 TRP HD1 H 7.245 0.030 1 425 47 47 TRP HE1 H 10.357 0.030 1 426 47 47 TRP HE3 H 7.492 0.030 1 427 47 47 TRP HH2 H 7.094 0.030 1 428 47 47 TRP HZ2 H 7.408 0.030 1 429 47 47 TRP HZ3 H 7.032 0.030 1 430 47 47 TRP C C 176.792 0.300 1 431 47 47 TRP CA C 57.894 0.300 1 432 47 47 TRP CB C 28.842 0.300 1 433 47 47 TRP CD1 C 127.200 0.300 1 434 47 47 TRP CE3 C 120.594 0.300 1 435 47 47 TRP CH2 C 124.898 0.300 1 436 47 47 TRP CZ2 C 114.841 0.300 1 437 47 47 TRP CZ3 C 122.293 0.300 1 438 47 47 TRP N N 120.493 0.300 1 439 47 47 TRP NE1 N 130.177 0.300 1 440 48 48 LEU H H 7.421 0.030 1 441 48 48 LEU HA H 4.029 0.030 1 442 48 48 LEU HB2 H 1.444 0.030 2 443 48 48 LEU HB3 H 1.525 0.030 2 444 48 48 LEU HD1 H 0.668 0.030 1 445 48 48 LEU HD2 H 0.715 0.030 1 446 48 48 LEU HG H 1.439 0.030 1 447 48 48 LEU C C 178.188 0.300 1 448 48 48 LEU CA C 56.048 0.300 1 449 48 48 LEU CB C 41.450 0.300 1 450 48 48 LEU CD1 C 23.421 0.300 2 451 48 48 LEU CD2 C 25.131 0.300 2 452 48 48 LEU CG C 27.499 0.300 1 453 48 48 LEU N N 120.866 0.300 1 454 49 49 GLY H H 7.927 0.030 1 455 49 49 GLY HA2 H 3.816 0.030 1 456 49 49 GLY HA3 H 3.816 0.030 1 457 49 49 GLY C C 174.240 0.300 1 458 49 49 GLY CA C 46.104 0.300 1 459 49 49 GLY N N 107.652 0.300 1 460 50 50 LYS H H 8.261 0.030 1 461 50 50 LYS HA H 3.992 0.030 1 462 50 50 LYS HB2 H 1.987 0.030 2 463 50 50 LYS HB3 H 1.860 0.030 2 464 50 50 LYS HD2 H 1.561 0.030 2 465 50 50 LYS HD3 H 1.611 0.030 2 466 50 50 LYS HE2 H 2.879 0.030 2 467 50 50 LYS HE3 H 2.895 0.030 2 468 50 50 LYS HG2 H 1.335 0.030 2 469 50 50 LYS HG3 H 1.267 0.030 2 470 50 50 LYS C C 175.309 0.300 1 471 50 50 LYS CA C 56.497 0.300 1 472 50 50 LYS CB C 31.194 0.300 1 473 50 50 LYS CD C 29.085 0.300 1 474 50 50 LYS CE C 42.275 0.300 1 475 50 50 LYS CG C 25.003 0.300 1 476 50 50 LYS N N 117.004 0.300 1 477 51 51 ARG H H 7.379 0.030 1 478 51 51 ARG HA H 4.749 0.030 1 479 51 51 ARG HB2 H 1.347 0.030 1 480 51 51 ARG HB3 H 1.347 0.030 1 481 51 51 ARG HD2 H 3.034 0.030 1 482 51 51 ARG HD3 H 3.034 0.030 1 483 51 51 ARG HG2 H 1.339 0.030 1 484 51 51 ARG HG3 H 1.339 0.030 1 485 51 51 ARG C C 174.394 0.300 1 486 51 51 ARG CA C 53.990 0.300 1 487 51 51 ARG CB C 34.003 0.300 1 488 51 51 ARG CD C 43.344 0.300 1 489 51 51 ARG CG C 27.791 0.300 1 490 51 51 ARG N N 116.835 0.300 1 491 52 52 CYS H H 8.431 0.030 1 492 52 52 CYS HA H 3.859 0.030 1 493 52 52 CYS HB2 H 2.946 0.030 2 494 52 52 CYS HB3 H 3.055 0.030 2 495 52 52 CYS C C 177.693 0.300 1 496 52 52 CYS CA C 59.637 0.300 1 497 52 52 CYS CB C 31.430 0.300 1 498 52 52 CYS N N 122.817 0.300 1 499 53 53 ALA H H 7.878 0.030 1 500 53 53 ALA HA H 3.881 0.030 1 501 53 53 ALA HB H 1.122 0.030 1 502 53 53 ALA CA C 54.468 0.300 1 503 53 53 ALA CB C 19.349 0.300 1 504 54 54 LEU H H 9.387 0.030 1 505 54 54 LEU HA H 4.401 0.030 1 506 54 54 LEU HB2 H 0.992 0.030 1 507 54 54 LEU HB3 H 0.992 0.030 1 508 54 54 LEU HD1 H 0.641 0.030 1 509 54 54 LEU HD2 H 0.700 0.030 1 510 54 54 LEU HG H 1.437 0.030 1 511 54 54 LEU CA C 56.279 0.300 1 512 54 54 LEU CB C 43.133 0.300 1 513 54 54 LEU CD1 C 25.180 0.300 2 514 54 54 LEU CD2 C 23.045 0.300 2 515 54 54 LEU CG C 27.569 0.300 1 516 54 54 LEU N N 119.687 0.300 1 517 55 55 CYS H H 8.477 0.030 1 518 55 55 CYS HA H 5.007 0.030 1 519 55 55 CYS HB2 H 2.798 0.030 2 520 55 55 CYS HB3 H 3.410 0.030 2 521 55 55 CYS C C 175.910 0.300 1 522 55 55 CYS CA C 58.801 0.300 1 523 55 55 CYS CB C 32.236 0.300 1 524 55 55 CYS N N 119.346 0.300 1 525 56 56 ARG H H 7.861 0.030 1 526 56 56 ARG HA H 4.038 0.030 1 527 56 56 ARG HB2 H 2.140 0.030 2 528 56 56 ARG HB3 H 2.014 0.030 2 529 56 56 ARG HD2 H 3.111 0.030 1 530 56 56 ARG HD3 H 3.111 0.030 1 531 56 56 ARG HG2 H 1.452 0.030 2 532 56 56 ARG HG3 H 1.521 0.030 2 533 56 56 ARG C C 174.665 0.300 1 534 56 56 ARG CA C 57.855 0.300 1 535 56 56 ARG CB C 27.272 0.300 1 536 56 56 ARG CD C 42.705 0.300 1 537 56 56 ARG CG C 27.465 0.300 1 538 56 56 ARG N N 116.149 0.300 1 539 57 57 GLN H H 8.248 0.030 1 540 57 57 GLN HA H 4.194 0.030 1 541 57 57 GLN HB2 H 2.187 0.030 2 542 57 57 GLN HB3 H 1.976 0.030 2 543 57 57 GLN HE21 H 6.896 0.030 2 544 57 57 GLN HE22 H 7.799 0.030 2 545 57 57 GLN HG2 H 2.502 0.030 1 546 57 57 GLN HG3 H 2.502 0.030 1 547 57 57 GLN C C 176.484 0.300 1 548 57 57 GLN CA C 57.675 0.300 1 549 57 57 GLN CB C 29.476 0.300 1 550 57 57 GLN CG C 34.844 0.300 1 551 57 57 GLN N N 121.963 0.300 1 552 57 57 GLN NE2 N 113.069 0.300 1 553 58 58 GLU H H 8.906 0.030 1 554 58 58 GLU HA H 4.224 0.030 1 555 58 58 GLU HB2 H 1.951 0.030 1 556 58 58 GLU HB3 H 1.951 0.030 1 557 58 58 GLU HG2 H 2.204 0.030 2 558 58 58 GLU HG3 H 2.305 0.030 2 559 58 58 GLU C C 175.872 0.300 1 560 58 58 GLU CA C 57.860 0.300 1 561 58 58 GLU CB C 30.480 0.300 1 562 58 58 GLU CG C 36.764 0.300 1 563 58 58 GLU N N 124.972 0.300 1 564 59 59 ILE H H 8.121 0.030 1 565 59 59 ILE HA H 4.217 0.030 1 566 59 59 ILE HB H 1.446 0.030 1 567 59 59 ILE HD1 H 0.534 0.030 1 568 59 59 ILE HG12 H 1.437 0.030 2 569 59 59 ILE HG13 H 0.772 0.030 2 570 59 59 ILE HG2 H 0.767 0.030 1 571 59 59 ILE C C 173.849 0.300 1 572 59 59 ILE CA C 58.540 0.300 1 573 59 59 ILE CB C 39.834 0.300 1 574 59 59 ILE CD1 C 14.342 0.300 1 575 59 59 ILE CG1 C 27.628 0.300 1 576 59 59 ILE CG2 C 17.340 0.300 1 577 59 59 ILE N N 124.689 0.300 1 578 60 60 PRO HA H 4.453 0.030 1 579 60 60 PRO HB2 H 2.506 0.030 2 580 60 60 PRO HB3 H 2.054 0.030 2 581 60 60 PRO HD2 H 3.903 0.030 2 582 60 60 PRO HD3 H 3.245 0.030 2 583 60 60 PRO HG2 H 2.164 0.030 2 584 60 60 PRO HG3 H 2.060 0.030 2 585 60 60 PRO C C 177.497 0.300 1 586 60 60 PRO CA C 62.982 0.300 1 587 60 60 PRO CB C 32.712 0.300 1 588 60 60 PRO CD C 51.056 0.300 1 589 60 60 PRO CG C 27.669 0.300 1 590 61 61 GLU H H 8.856 0.030 1 591 61 61 GLU HA H 4.012 0.030 1 592 61 61 GLU HB2 H 2.035 0.030 1 593 61 61 GLU HB3 H 2.035 0.030 1 594 61 61 GLU HG2 H 2.333 0.030 1 595 61 61 GLU HG3 H 2.333 0.030 1 596 61 61 GLU C C 176.881 0.300 1 597 61 61 GLU CA C 58.915 0.300 1 598 61 61 GLU CB C 29.818 0.300 1 599 61 61 GLU CG C 36.175 0.300 1 600 61 61 GLU N N 122.262 0.300 1 601 62 62 ASP H H 8.469 0.030 1 602 62 62 ASP HA H 4.646 0.030 1 603 62 62 ASP HB2 H 2.862 0.030 2 604 62 62 ASP HB3 H 2.640 0.030 2 605 62 62 ASP C C 177.126 0.300 1 606 62 62 ASP CA C 53.800 0.300 1 607 62 62 ASP CB C 40.143 0.300 1 608 62 62 ASP N N 116.289 0.300 1 609 63 63 PHE H H 7.809 0.030 1 610 63 63 PHE HA H 4.201 0.030 1 611 63 63 PHE HB2 H 3.275 0.030 2 612 63 63 PHE HB3 H 2.861 0.030 2 613 63 63 PHE HD1 H 7.146 0.030 1 614 63 63 PHE HD2 H 7.146 0.030 1 615 63 63 PHE HE1 H 7.361 0.030 1 616 63 63 PHE HE2 H 7.361 0.030 1 617 63 63 PHE HZ H 7.414 0.030 1 618 63 63 PHE C C 176.456 0.300 1 619 63 63 PHE CA C 61.121 0.300 1 620 63 63 PHE CB C 40.753 0.300 1 621 63 63 PHE CD1 C 131.647 0.300 1 622 63 63 PHE CD2 C 131.647 0.300 1 623 63 63 PHE CE1 C 131.636 0.300 1 624 63 63 PHE CE2 C 131.636 0.300 1 625 63 63 PHE CZ C 130.379 0.300 1 626 63 63 PHE N N 120.435 0.300 1 627 64 64 LEU H H 8.219 0.030 1 628 64 64 LEU HA H 4.257 0.030 1 629 64 64 LEU HB2 H 1.629 0.030 2 630 64 64 LEU HB3 H 1.536 0.030 2 631 64 64 LEU HD1 H 0.723 0.030 1 632 64 64 LEU HD2 H 0.764 0.030 1 633 64 64 LEU HG H 1.500 0.030 1 634 64 64 LEU C C 177.210 0.300 1 635 64 64 LEU CA C 54.688 0.300 1 636 64 64 LEU CB C 41.557 0.300 1 637 64 64 LEU CD1 C 25.698 0.300 2 638 64 64 LEU CD2 C 23.436 0.300 2 639 64 64 LEU CG C 26.905 0.300 1 640 64 64 LEU N N 117.377 0.300 1 641 65 65 ASP H H 7.873 0.030 1 642 65 65 ASP HA H 4.548 0.030 1 643 65 65 ASP HB2 H 2.728 0.030 2 644 65 65 ASP HB3 H 2.628 0.030 2 645 65 65 ASP C C 176.421 0.300 1 646 65 65 ASP CA C 55.131 0.300 1 647 65 65 ASP CB C 41.080 0.300 1 648 65 65 ASP N N 120.528 0.300 1 649 66 66 SER H H 8.092 0.030 1 650 66 66 SER HA H 4.434 0.030 1 651 66 66 SER HB2 H 3.819 0.030 1 652 66 66 SER HB3 H 3.819 0.030 1 653 66 66 SER C C 174.656 0.300 1 654 66 66 SER CA C 58.540 0.300 1 655 66 66 SER CB C 63.837 0.300 1 656 66 66 SER N N 115.173 0.300 1 657 67 67 GLY H H 8.116 0.030 1 658 67 67 GLY HA2 H 3.882 0.030 1 659 67 67 GLY HA3 H 3.882 0.030 1 660 67 67 GLY C C 171.866 0.300 1 661 67 67 GLY CA C 44.492 0.300 1 662 67 67 GLY N N 110.346 0.300 1 663 68 68 PRO HA H 4.301 0.030 1 664 68 68 PRO HB2 H 2.059 0.030 2 665 68 68 PRO HB3 H 1.805 0.030 2 666 68 68 PRO HD2 H 3.390 0.030 2 667 68 68 PRO HD3 H 3.244 0.030 2 668 68 68 PRO HG2 H 1.833 0.030 2 669 68 68 PRO HG3 H 1.798 0.030 2 670 68 68 PRO C C 177.191 0.300 1 671 68 68 PRO CA C 62.967 0.300 1 672 68 68 PRO CB C 32.025 0.300 1 673 68 68 PRO CD C 49.539 0.300 1 674 68 68 PRO CG C 27.043 0.300 1 stop_ save_