data_11163 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the Zinc finger, C3HC4 type (RING finger) domain of Tripartite motif-containing protein 5 ; _BMRB_accession_number 11163 _BMRB_flat_file_name bmr11163.str _Entry_type original _Submission_date 2010-04-15 _Accession_date 2010-04-15 _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 Abe H. . . 2 Miyamoto K. . . 3 Tochio N. . . 4 Koshiba S. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 457 "13C chemical shifts" 337 "15N chemical shifts" 73 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-05 original author . stop_ _Original_release_date 2011-05-05 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the Zinc finger, C3HC4 type (RING finger) domain of Tripartite motif-containing protein 5 ; _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 Abe H. . . 2 Miyamoto K. . . 3 Tochio N. . . 4 Koshiba S. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Tripartite motif-containing protein 5' _Enzyme_commission_number E.C.6.3.2.- loop_ _Mol_system_component_name _Mol_label 'Zinc finger, C3HC4 type (RING finger)' $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 'Zinc finger, C3HC4 type (RING finger)' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 85 _Mol_residue_sequence ; GSSGSSGMASGILVNVKEEV TCPICLELLTQPLSLDCGHS FCQACLTANHKKSMLDKGES SCPVCRISYQPENIRPNRHV ANIVE ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 MET 9 ALA 10 SER 11 GLY 12 ILE 13 LEU 14 VAL 15 ASN 16 VAL 17 LYS 18 GLU 19 GLU 20 VAL 21 THR 22 CYS 23 PRO 24 ILE 25 CYS 26 LEU 27 GLU 28 LEU 29 LEU 30 THR 31 GLN 32 PRO 33 LEU 34 SER 35 LEU 36 ASP 37 CYS 38 GLY 39 HIS 40 SER 41 PHE 42 CYS 43 GLN 44 ALA 45 CYS 46 LEU 47 THR 48 ALA 49 ASN 50 HIS 51 LYS 52 LYS 53 SER 54 MET 55 LEU 56 ASP 57 LYS 58 GLY 59 GLU 60 SER 61 SER 62 CYS 63 PRO 64 VAL 65 CYS 66 ARG 67 ILE 68 SER 69 TYR 70 GLN 71 PRO 72 GLU 73 ASN 74 ILE 75 ARG 76 PRO 77 ASN 78 ARG 79 HIS 80 VAL 81 ALA 82 ASN 83 ILE 84 VAL 85 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 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 2ECV "Solution Structure Of The Zinc Finger, C3hc4 Type (Ring Finger) Domain Of Tripartite Motif-Containing Protein 5" 100.00 85 100.00 100.00 6.95e-54 DBJ BAB55218 "unnamed protein product [Homo sapiens]" 91.76 493 98.72 100.00 6.55e-46 DBJ BAG16811 "tripartite motif-containing protein 5 alpha [Homo sapiens]" 91.76 493 100.00 100.00 2.67e-46 DBJ BAK63054 "tripartite motif-containing protein 5 [Pan troglodytes]" 91.76 327 100.00 100.00 2.07e-48 GB AAG53479 "tripartite motif protein TRIM5 isoform alpha [Homo sapiens]" 91.76 493 100.00 100.00 2.90e-46 GB AAG53480 "tripartite motif protein TRIM5 isoform beta [Homo sapiens]" 91.76 400 100.00 100.00 1.60e-47 GB AAG53481 "tripartite motif protein TRIM5 isoform gamma [Homo sapiens]" 91.76 347 100.00 100.00 9.56e-48 GB AAG53482 "tripartite motif protein TRIM5 isoform delta [Homo sapiens]" 91.76 326 100.00 100.00 1.42e-48 GB AAG53483 "tripartite motif protein TRIM5 isoform epsilon [Homo sapiens]" 91.76 271 100.00 100.00 2.35e-49 REF NP_001012668 "tripartite motif-containing protein 5 [Pan troglodytes]" 91.76 493 100.00 100.00 2.70e-46 REF NP_001266478 "tripartite motif containing 5 [Gorilla gorilla]" 91.76 493 98.72 100.00 1.14e-45 REF NP_149023 "tripartite motif-containing protein 5 isoform alpha [Homo sapiens]" 91.76 493 100.00 100.00 2.90e-46 REF NP_149083 "tripartite motif-containing protein 5 isoform gamma [Homo sapiens]" 91.76 347 100.00 100.00 9.87e-48 REF NP_149084 "tripartite motif-containing protein 5 isoform delta [Homo sapiens]" 91.76 326 100.00 100.00 1.47e-48 SP Q1ACD8 "RecName: Full=Tripartite motif-containing protein 5; AltName: Full=TRIM5alpha" 91.76 493 100.00 100.00 2.31e-46 SP Q5C8T6 "RecName: Full=Tripartite motif-containing protein 5; AltName: Full=TRIM5alpha" 91.76 493 98.72 100.00 1.14e-45 SP Q5D7J1 "RecName: Full=Tripartite motif-containing protein 5; AltName: Full=TRIM5alpha" 91.76 493 100.00 100.00 2.70e-46 SP Q9C035 "RecName: Full=Tripartite motif-containing protein 5; AltName: Full=RING finger protein 88" 91.76 493 100.00 100.00 2.90e-46 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_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . P060411-09 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.25mM {Protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3 {;0.05mM} Zncl2+1mM {IDA;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.25 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 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 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 0.9747 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 '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 . . 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 'Zinc finger, C3HC4 type (RING finger)' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 7 7 GLY HA2 H 3.970 0.030 2 2 7 7 GLY CA C 45.379 0.300 1 3 8 8 MET H H 8.166 0.030 1 4 8 8 MET HA H 4.479 0.030 1 5 8 8 MET HB2 H 2.087 0.030 2 6 8 8 MET HB3 H 1.986 0.030 2 7 8 8 MET HE H 2.094 0.030 1 8 8 8 MET HG2 H 2.523 0.030 2 9 8 8 MET HG3 H 2.586 0.030 2 10 8 8 MET C C 176.223 0.300 1 11 8 8 MET CA C 55.498 0.300 1 12 8 8 MET CB C 33.266 0.300 1 13 8 8 MET CE C 16.987 0.300 1 14 8 8 MET CG C 31.996 0.300 1 15 8 8 MET N N 119.921 0.300 1 16 9 9 ALA H H 8.398 0.030 1 17 9 9 ALA HA H 4.354 0.030 1 18 9 9 ALA HB H 1.405 0.030 1 19 9 9 ALA C C 177.729 0.300 1 20 9 9 ALA CA C 52.703 0.300 1 21 9 9 ALA CB C 19.147 0.300 1 22 9 9 ALA N N 125.474 0.300 1 23 10 10 SER H H 8.277 0.030 1 24 10 10 SER HA H 4.409 0.030 1 25 10 10 SER HB2 H 3.858 0.030 1 26 10 10 SER HB3 H 3.858 0.030 1 27 10 10 SER C C 175.142 0.300 1 28 10 10 SER CA C 58.546 0.300 1 29 10 10 SER CB C 63.958 0.300 1 30 10 10 SER N N 114.985 0.300 1 31 11 11 GLY H H 8.367 0.030 1 32 11 11 GLY HA2 H 3.962 0.030 1 33 11 11 GLY HA3 H 3.962 0.030 1 34 11 11 GLY C C 173.923 0.300 1 35 11 11 GLY CA C 45.395 0.300 1 36 11 11 GLY N N 110.627 0.300 1 37 12 12 ILE H H 7.884 0.030 1 38 12 12 ILE HA H 4.146 0.030 1 39 12 12 ILE HB H 1.837 0.030 1 40 12 12 ILE HD1 H 0.835 0.030 1 41 12 12 ILE HG12 H 1.143 0.030 2 42 12 12 ILE HG13 H 1.423 0.030 2 43 12 12 ILE HG2 H 0.876 0.030 1 44 12 12 ILE C C 176.065 0.300 1 45 12 12 ILE CA C 61.162 0.300 1 46 12 12 ILE CB C 38.722 0.300 1 47 12 12 ILE CD1 C 12.930 0.300 1 48 12 12 ILE CG1 C 27.179 0.300 1 49 12 12 ILE CG2 C 17.520 0.300 1 50 12 12 ILE N N 119.751 0.300 1 51 13 13 LEU H H 8.307 0.030 1 52 13 13 LEU HA H 4.410 0.030 1 53 13 13 LEU HB2 H 1.628 0.030 2 54 13 13 LEU HB3 H 1.549 0.030 2 55 13 13 LEU HD1 H 0.898 0.030 1 56 13 13 LEU HD2 H 0.846 0.030 1 57 13 13 LEU HG H 1.588 0.030 1 58 13 13 LEU C C 176.914 0.300 1 59 13 13 LEU CA C 55.022 0.300 1 60 13 13 LEU CB C 42.272 0.300 1 61 13 13 LEU CD1 C 24.904 0.300 2 62 13 13 LEU CD2 C 23.603 0.300 2 63 13 13 LEU CG C 27.029 0.300 1 64 13 13 LEU N N 126.391 0.300 1 65 14 14 VAL H H 8.063 0.030 1 66 14 14 VAL HA H 4.087 0.030 1 67 14 14 VAL HB H 2.023 0.030 1 68 14 14 VAL HG1 H 0.917 0.030 1 69 14 14 VAL HG2 H 0.902 0.030 1 70 14 14 VAL C C 175.537 0.300 1 71 14 14 VAL CA C 62.241 0.300 1 72 14 14 VAL CB C 32.991 0.300 1 73 14 14 VAL CG1 C 21.710 0.300 2 74 14 14 VAL CG2 C 20.400 0.300 2 75 14 14 VAL N N 121.267 0.300 1 76 15 15 ASN H H 8.512 0.030 1 77 15 15 ASN HA H 4.735 0.030 1 78 15 15 ASN HB2 H 2.810 0.030 2 79 15 15 ASN HB3 H 2.708 0.030 2 80 15 15 ASN HD21 H 6.883 0.030 2 81 15 15 ASN HD22 H 7.594 0.030 2 82 15 15 ASN C C 174.975 0.300 1 83 15 15 ASN CA C 53.142 0.300 1 84 15 15 ASN CB C 38.899 0.300 1 85 15 15 ASN N N 122.656 0.300 1 86 15 15 ASN ND2 N 112.815 0.300 1 87 16 16 VAL H H 8.114 0.030 1 88 16 16 VAL HA H 4.080 0.030 1 89 16 16 VAL HB H 2.070 0.030 1 90 16 16 VAL HG1 H 0.902 0.030 1 91 16 16 VAL HG2 H 0.897 0.030 1 92 16 16 VAL C C 175.938 0.300 1 93 16 16 VAL CA C 62.266 0.300 1 94 16 16 VAL CB C 32.782 0.300 1 95 16 16 VAL CG1 C 21.181 0.300 2 96 16 16 VAL CG2 C 20.464 0.300 2 97 16 16 VAL N N 120.810 0.300 1 98 17 17 LYS H H 8.343 0.030 1 99 17 17 LYS HA H 4.311 0.030 1 100 17 17 LYS HB2 H 1.736 0.030 2 101 17 17 LYS HB3 H 1.814 0.030 2 102 17 17 LYS HD2 H 1.676 0.030 1 103 17 17 LYS HD3 H 1.676 0.030 1 104 17 17 LYS HE2 H 2.977 0.030 1 105 17 17 LYS HE3 H 2.977 0.030 1 106 17 17 LYS HG2 H 1.422 0.030 1 107 17 17 LYS HG3 H 1.422 0.030 1 108 17 17 LYS C C 176.278 0.300 1 109 17 17 LYS CA C 56.264 0.300 1 110 17 17 LYS CB C 33.001 0.300 1 111 17 17 LYS CD C 29.128 0.300 1 112 17 17 LYS CE C 42.118 0.300 1 113 17 17 LYS CG C 24.735 0.300 1 114 17 17 LYS N N 124.981 0.300 1 115 18 18 GLU H H 8.396 0.030 1 116 18 18 GLU HA H 4.336 0.030 1 117 18 18 GLU HB2 H 1.977 0.030 2 118 18 18 GLU HB3 H 1.877 0.030 2 119 18 18 GLU HG2 H 2.253 0.030 2 120 18 18 GLU HG3 H 2.184 0.030 2 121 18 18 GLU C C 176.224 0.300 1 122 18 18 GLU CA C 56.291 0.300 1 123 18 18 GLU CB C 30.409 0.300 1 124 18 18 GLU CG C 36.299 0.300 1 125 18 18 GLU N N 122.703 0.300 1 126 19 19 GLU H H 8.428 0.030 1 127 19 19 GLU HA H 4.248 0.030 1 128 19 19 GLU HB2 H 2.011 0.030 2 129 19 19 GLU HB3 H 1.893 0.030 2 130 19 19 GLU HG2 H 2.184 0.030 2 131 19 19 GLU HG3 H 2.252 0.030 2 132 19 19 GLU C C 176.007 0.300 1 133 19 19 GLU CA C 56.286 0.300 1 134 19 19 GLU CB C 30.436 0.300 1 135 19 19 GLU CG C 36.313 0.300 1 136 19 19 GLU N N 122.144 0.300 1 137 20 20 VAL H H 8.272 0.030 1 138 20 20 VAL HA H 4.266 0.030 1 139 20 20 VAL HB H 2.106 0.030 1 140 20 20 VAL HG1 H 0.895 0.030 1 141 20 20 VAL HG2 H 0.899 0.030 1 142 20 20 VAL C C 175.252 0.300 1 143 20 20 VAL CA C 61.973 0.300 1 144 20 20 VAL CB C 32.999 0.300 1 145 20 20 VAL CG1 C 20.341 0.300 2 146 20 20 VAL CG2 C 21.754 0.300 2 147 20 20 VAL N N 120.609 0.300 1 148 21 21 THR H H 7.964 0.030 1 149 21 21 THR HA H 4.651 0.030 1 150 21 21 THR HB H 3.698 0.030 1 151 21 21 THR HG2 H 0.916 0.030 1 152 21 21 THR C C 173.856 0.300 1 153 21 21 THR CA C 59.910 0.300 1 154 21 21 THR CB C 71.425 0.300 1 155 21 21 THR CG2 C 21.658 0.300 1 156 21 21 THR N N 116.115 0.300 1 157 22 22 CYS H H 8.823 0.030 1 158 22 22 CYS HA H 4.633 0.030 1 159 22 22 CYS HB2 H 3.018 0.030 2 160 22 22 CYS HB3 H 3.679 0.030 2 161 22 22 CYS C C 176.067 0.300 1 162 22 22 CYS CA C 56.824 0.300 1 163 22 22 CYS CB C 32.723 0.300 1 164 22 22 CYS N N 127.680 0.300 1 165 23 23 PRO HA H 4.446 0.030 1 166 23 23 PRO HB2 H 2.403 0.030 2 167 23 23 PRO HB3 H 1.817 0.030 2 168 23 23 PRO HD2 H 4.142 0.030 2 169 23 23 PRO HD3 H 4.018 0.030 2 170 23 23 PRO HG2 H 1.915 0.030 2 171 23 23 PRO HG3 H 1.686 0.030 2 172 23 23 PRO C C 176.834 0.300 1 173 23 23 PRO CA C 64.253 0.300 1 174 23 23 PRO CB C 32.888 0.300 1 175 23 23 PRO CD C 51.954 0.300 1 176 23 23 PRO CG C 27.663 0.300 1 177 24 24 ILE H H 8.873 0.030 1 178 24 24 ILE HA H 4.133 0.030 1 179 24 24 ILE HB H 2.405 0.030 1 180 24 24 ILE HD1 H 0.648 0.030 1 181 24 24 ILE HG12 H 1.240 0.030 2 182 24 24 ILE HG13 H 1.665 0.030 2 183 24 24 ILE HG2 H 0.973 0.030 1 184 24 24 ILE C C 176.472 0.300 1 185 24 24 ILE CA C 63.527 0.300 1 186 24 24 ILE CB C 37.738 0.300 1 187 24 24 ILE CD1 C 12.858 0.300 1 188 24 24 ILE CG1 C 27.809 0.300 1 189 24 24 ILE CG2 C 17.276 0.300 1 190 24 24 ILE N N 118.990 0.300 1 191 25 25 CYS H H 8.023 0.030 1 192 25 25 CYS HA H 4.705 0.030 1 193 25 25 CYS HB2 H 2.916 0.030 2 194 25 25 CYS HB3 H 3.206 0.030 2 195 25 25 CYS C C 176.251 0.300 1 196 25 25 CYS CA C 59.284 0.300 1 197 25 25 CYS CB C 31.944 0.300 1 198 25 25 CYS N N 118.158 0.300 1 199 26 26 LEU H H 8.095 0.030 1 200 26 26 LEU HA H 4.153 0.030 1 201 26 26 LEU HB2 H 1.654 0.030 2 202 26 26 LEU HB3 H 2.140 0.030 2 203 26 26 LEU HD1 H 0.868 0.030 1 204 26 26 LEU HD2 H 0.806 0.030 1 205 26 26 LEU HG H 1.397 0.030 1 206 26 26 LEU C C 176.079 0.300 1 207 26 26 LEU CA C 56.950 0.300 1 208 26 26 LEU CB C 38.271 0.300 1 209 26 26 LEU CD1 C 25.274 0.300 2 210 26 26 LEU CD2 C 22.717 0.300 2 211 26 26 LEU CG C 27.345 0.300 1 212 26 26 LEU N N 118.496 0.300 1 213 27 27 GLU H H 8.345 0.030 1 214 27 27 GLU HA H 4.489 0.030 1 215 27 27 GLU HB2 H 2.242 0.030 2 216 27 27 GLU HB3 H 2.101 0.030 2 217 27 27 GLU HG2 H 2.421 0.030 2 218 27 27 GLU HG3 H 2.258 0.030 2 219 27 27 GLU C C 176.173 0.300 1 220 27 27 GLU CA C 55.390 0.300 1 221 27 27 GLU CB C 31.211 0.300 1 222 27 27 GLU CG C 36.346 0.300 1 223 27 27 GLU N N 120.349 0.300 1 224 28 28 LEU H H 8.330 0.030 1 225 28 28 LEU HA H 4.188 0.030 1 226 28 28 LEU HB2 H 1.604 0.030 2 227 28 28 LEU HB3 H 1.483 0.030 2 228 28 28 LEU HD1 H 0.795 0.030 1 229 28 28 LEU HD2 H 0.894 0.030 1 230 28 28 LEU HG H 1.628 0.030 1 231 28 28 LEU C C 177.462 0.300 1 232 28 28 LEU CA C 56.150 0.300 1 233 28 28 LEU CB C 42.027 0.300 1 234 28 28 LEU CD1 C 24.120 0.300 2 235 28 28 LEU CD2 C 24.949 0.300 2 236 28 28 LEU CG C 26.978 0.300 1 237 28 28 LEU N N 120.755 0.300 1 238 29 29 LEU H H 8.274 0.030 1 239 29 29 LEU HA H 4.406 0.030 1 240 29 29 LEU HB2 H 1.161 0.030 2 241 29 29 LEU HB3 H 1.479 0.030 2 242 29 29 LEU HD1 H 0.674 0.030 1 243 29 29 LEU HD2 H 0.715 0.030 1 244 29 29 LEU HG H 1.366 0.030 1 245 29 29 LEU C C 176.755 0.300 1 246 29 29 LEU CA C 55.118 0.300 1 247 29 29 LEU CB C 43.153 0.300 1 248 29 29 LEU CD1 C 25.136 0.300 2 249 29 29 LEU CD2 C 24.385 0.300 2 250 29 29 LEU CG C 26.978 0.300 1 251 29 29 LEU N N 124.015 0.300 1 252 30 30 THR H H 8.338 0.030 1 253 30 30 THR HA H 4.396 0.030 1 254 30 30 THR HB H 4.225 0.030 1 255 30 30 THR HG2 H 1.230 0.030 1 256 30 30 THR C C 174.577 0.300 1 257 30 30 THR CA C 62.256 0.300 1 258 30 30 THR CB C 69.970 0.300 1 259 30 30 THR CG2 C 21.658 0.300 1 260 30 30 THR N N 118.892 0.300 1 261 31 31 GLN H H 8.784 0.030 1 262 31 31 GLN HA H 4.391 0.030 1 263 31 31 GLN HB2 H 2.205 0.030 2 264 31 31 GLN HB3 H 2.073 0.030 2 265 31 31 GLN HE21 H 6.858 0.030 2 266 31 31 GLN HE22 H 7.539 0.030 2 267 31 31 GLN HG2 H 2.359 0.030 1 268 31 31 GLN HG3 H 2.359 0.030 1 269 31 31 GLN C C 172.207 0.300 1 270 31 31 GLN CA C 54.769 0.300 1 271 31 31 GLN CB C 28.560 0.300 1 272 31 31 GLN CG C 33.938 0.300 1 273 31 31 GLN N N 122.094 0.300 1 274 31 31 GLN NE2 N 112.081 0.300 1 275 32 32 PRO HA H 4.438 0.030 1 276 32 32 PRO HB2 H 1.906 0.030 2 277 32 32 PRO HB3 H 1.803 0.030 2 278 32 32 PRO HD2 H 3.669 0.030 2 279 32 32 PRO HD3 H 3.238 0.030 2 280 32 32 PRO HG2 H 2.010 0.030 2 281 32 32 PRO HG3 H 1.859 0.030 2 282 32 32 PRO C C 176.874 0.300 1 283 32 32 PRO CA C 63.017 0.300 1 284 32 32 PRO CB C 32.967 0.300 1 285 32 32 PRO CD C 50.553 0.300 1 286 32 32 PRO CG C 27.228 0.300 1 287 33 33 LEU H H 8.983 0.030 1 288 33 33 LEU HA H 4.672 0.030 1 289 33 33 LEU HB2 H 1.421 0.030 2 290 33 33 LEU HB3 H 1.640 0.030 2 291 33 33 LEU HD1 H 0.946 0.030 1 292 33 33 LEU HD2 H 0.898 0.030 1 293 33 33 LEU HG H 1.665 0.030 1 294 33 33 LEU C C 175.865 0.300 1 295 33 33 LEU CA C 54.338 0.300 1 296 33 33 LEU CB C 44.051 0.300 1 297 33 33 LEU CD1 C 25.878 0.300 2 298 33 33 LEU CD2 C 24.255 0.300 2 299 33 33 LEU CG C 27.447 0.300 1 300 33 33 LEU N N 123.148 0.300 1 301 34 34 SER H H 8.540 0.030 1 302 34 34 SER HA H 5.192 0.030 1 303 34 34 SER HB2 H 3.560 0.030 2 304 34 34 SER HB3 H 3.754 0.030 2 305 34 34 SER C C 173.895 0.300 1 306 34 34 SER CA C 57.457 0.300 1 307 34 34 SER CB C 65.001 0.300 1 308 34 34 SER N N 117.187 0.300 1 309 35 35 LEU H H 8.443 0.030 1 310 35 35 LEU HA H 4.758 0.030 1 311 35 35 LEU HB2 H 2.600 0.030 2 312 35 35 LEU HB3 H 1.709 0.030 2 313 35 35 LEU HD1 H 0.865 0.030 1 314 35 35 LEU HD2 H 0.911 0.030 1 315 35 35 LEU HG H 1.721 0.030 1 316 35 35 LEU C C 180.123 0.300 1 317 35 35 LEU CA C 53.578 0.300 1 318 35 35 LEU CB C 45.134 0.300 1 319 35 35 LEU CD1 C 25.683 0.300 2 320 35 35 LEU CD2 C 21.908 0.300 2 321 35 35 LEU CG C 27.466 0.300 1 322 35 35 LEU N N 123.021 0.300 1 323 36 36 ASP H H 9.087 0.030 1 324 36 36 ASP HA H 4.350 0.030 1 325 36 36 ASP HB2 H 2.770 0.030 1 326 36 36 ASP HB3 H 2.770 0.030 1 327 36 36 ASP C C 176.327 0.300 1 328 36 36 ASP CA C 57.397 0.300 1 329 36 36 ASP CB C 40.178 0.300 1 330 36 36 ASP N N 122.113 0.300 1 331 37 37 CYS H H 7.539 0.030 1 332 37 37 CYS HA H 4.457 0.030 1 333 37 37 CYS HB2 H 2.775 0.030 2 334 37 37 CYS HB3 H 3.167 0.030 2 335 37 37 CYS C C 175.804 0.300 1 336 37 37 CYS CA C 58.123 0.300 1 337 37 37 CYS CB C 31.320 0.300 1 338 37 37 CYS N N 115.615 0.300 1 339 38 38 GLY H H 7.986 0.030 1 340 38 38 GLY HA2 H 3.558 0.030 2 341 38 38 GLY HA3 H 4.147 0.030 2 342 38 38 GLY C C 174.040 0.300 1 343 38 38 GLY CA C 44.844 0.300 1 344 38 38 GLY N N 109.913 0.300 1 345 39 39 HIS H H 7.778 0.030 1 346 39 39 HIS HA H 4.615 0.030 1 347 39 39 HIS HB2 H 2.885 0.030 2 348 39 39 HIS HB3 H 3.355 0.030 2 349 39 39 HIS HD2 H 7.281 0.030 1 350 39 39 HIS HE1 H 7.844 0.030 1 351 39 39 HIS C C 173.191 0.300 1 352 39 39 HIS CA C 59.436 0.300 1 353 39 39 HIS CB C 31.965 0.300 1 354 39 39 HIS CD2 C 118.548 0.300 1 355 39 39 HIS CE1 C 138.329 0.300 1 356 39 39 HIS N N 121.986 0.300 1 357 40 40 SER H H 7.806 0.030 1 358 40 40 SER HA H 5.474 0.030 1 359 40 40 SER HB2 H 3.470 0.030 2 360 40 40 SER HB3 H 3.399 0.030 2 361 40 40 SER C C 171.636 0.300 1 362 40 40 SER CA C 57.370 0.300 1 363 40 40 SER CB C 65.890 0.300 1 364 40 40 SER N N 116.000 0.300 1 365 41 41 PHE H H 8.388 0.030 1 366 41 41 PHE HA H 5.173 0.030 1 367 41 41 PHE HB2 H 3.336 0.030 2 368 41 41 PHE HB3 H 2.506 0.030 2 369 41 41 PHE HD1 H 7.171 0.030 1 370 41 41 PHE HD2 H 7.171 0.030 1 371 41 41 PHE HE1 H 7.534 0.030 1 372 41 41 PHE HE2 H 7.534 0.030 1 373 41 41 PHE HZ H 7.200 0.030 1 374 41 41 PHE C C 174.773 0.300 1 375 41 41 PHE CA C 56.101 0.300 1 376 41 41 PHE CB C 46.047 0.300 1 377 41 41 PHE CD1 C 132.692 0.300 1 378 41 41 PHE CD2 C 132.692 0.300 1 379 41 41 PHE CE1 C 130.304 0.300 1 380 41 41 PHE CE2 C 130.304 0.300 1 381 41 41 PHE CZ C 130.582 0.300 1 382 41 41 PHE N N 116.870 0.300 1 383 42 42 CYS H H 8.782 0.030 1 384 42 42 CYS HA H 4.581 0.030 1 385 42 42 CYS HB2 H 3.408 0.030 2 386 42 42 CYS HB3 H 3.360 0.030 2 387 42 42 CYS C C 177.321 0.300 1 388 42 42 CYS CA C 58.945 0.300 1 389 42 42 CYS CB C 31.422 0.300 1 390 42 42 CYS N N 122.062 0.300 1 391 43 43 GLN H H 8.623 0.030 1 392 43 43 GLN HA H 3.943 0.030 1 393 43 43 GLN HB2 H 2.139 0.030 2 394 43 43 GLN HB3 H 2.442 0.030 2 395 43 43 GLN HE21 H 7.460 0.030 2 396 43 43 GLN HE22 H 6.853 0.030 2 397 43 43 GLN HG2 H 2.369 0.030 1 398 43 43 GLN HG3 H 2.369 0.030 1 399 43 43 GLN C C 178.988 0.300 1 400 43 43 GLN CA C 60.028 0.300 1 401 43 43 GLN CB C 28.492 0.300 1 402 43 43 GLN CG C 33.749 0.300 1 403 43 43 GLN N N 122.327 0.300 1 404 43 43 GLN NE2 N 111.565 0.300 1 405 44 44 ALA H H 8.907 0.030 1 406 44 44 ALA HA H 4.121 0.030 1 407 44 44 ALA HB H 1.554 0.030 1 408 44 44 ALA C C 180.898 0.300 1 409 44 44 ALA CA C 55.533 0.300 1 410 44 44 ALA CB C 18.497 0.300 1 411 44 44 ALA N N 122.212 0.300 1 412 45 45 CYS H H 8.128 0.030 1 413 45 45 CYS HA H 3.993 0.030 1 414 45 45 CYS HB2 H 2.879 0.030 2 415 45 45 CYS HB3 H 3.082 0.030 2 416 45 45 CYS C C 178.524 0.300 1 417 45 45 CYS CA C 64.200 0.300 1 418 45 45 CYS CB C 29.579 0.300 1 419 46 46 LEU H H 8.173 0.030 1 420 46 46 LEU HA H 3.794 0.030 1 421 46 46 LEU HB2 H 1.426 0.030 2 422 46 46 LEU HB3 H 1.676 0.030 2 423 46 46 LEU HD1 H 0.640 0.030 1 424 46 46 LEU HD2 H 0.515 0.030 1 425 46 46 LEU HG H 1.514 0.030 1 426 46 46 LEU C C 178.636 0.300 1 427 46 46 LEU CA C 57.513 0.300 1 428 46 46 LEU CB C 41.666 0.300 1 429 46 46 LEU CD1 C 25.016 0.300 2 430 46 46 LEU CD2 C 23.535 0.300 2 431 46 46 LEU CG C 26.759 0.300 1 432 46 46 LEU N N 120.632 0.300 1 433 47 47 THR H H 8.298 0.030 1 434 47 47 THR HA H 3.777 0.030 1 435 47 47 THR HB H 4.234 0.030 1 436 47 47 THR HG2 H 1.271 0.030 1 437 47 47 THR C C 176.273 0.300 1 438 47 47 THR CA C 66.234 0.300 1 439 47 47 THR CB C 68.835 0.300 1 440 47 47 THR CG2 C 21.488 0.300 1 441 47 47 THR N N 114.353 0.300 1 442 48 48 ALA H H 7.627 0.030 1 443 48 48 ALA HA H 4.159 0.030 1 444 48 48 ALA HB H 1.486 0.030 1 445 48 48 ALA C C 179.605 0.300 1 446 48 48 ALA CA C 54.801 0.300 1 447 48 48 ALA CB C 18.171 0.300 1 448 48 48 ALA N N 122.733 0.300 1 449 49 49 ASN H H 7.813 0.030 1 450 49 49 ASN HA H 4.401 0.030 1 451 49 49 ASN HB2 H 2.639 0.030 2 452 49 49 ASN HB3 H 2.798 0.030 2 453 49 49 ASN HD21 H 7.909 0.030 2 454 49 49 ASN HD22 H 7.226 0.030 2 455 49 49 ASN C C 176.701 0.300 1 456 49 49 ASN CA C 56.422 0.300 1 457 49 49 ASN CB C 39.846 0.300 1 458 49 49 ASN N N 117.200 0.300 1 459 49 49 ASN ND2 N 114.636 0.300 1 460 50 50 HIS H H 8.256 0.030 1 461 50 50 HIS HA H 4.485 0.030 1 462 50 50 HIS HB2 H 3.344 0.030 2 463 50 50 HIS HB3 H 3.226 0.030 2 464 50 50 HIS HD2 H 6.998 0.030 1 465 50 50 HIS HE1 H 7.702 0.030 1 466 50 50 HIS C C 176.753 0.300 1 467 50 50 HIS CA C 58.046 0.300 1 468 50 50 HIS CB C 30.373 0.300 1 469 50 50 HIS CD2 C 120.113 0.300 1 470 50 50 HIS CE1 C 137.584 0.300 1 471 50 50 HIS N N 119.400 0.300 1 472 51 51 LYS H H 7.986 0.030 1 473 51 51 LYS HA H 4.060 0.030 1 474 51 51 LYS HB2 H 1.875 0.030 1 475 51 51 LYS HB3 H 1.875 0.030 1 476 51 51 LYS HD2 H 1.678 0.030 1 477 51 51 LYS HD3 H 1.678 0.030 1 478 51 51 LYS HE2 H 2.981 0.030 1 479 51 51 LYS HE3 H 2.981 0.030 1 480 51 51 LYS HG2 H 1.427 0.030 2 481 51 51 LYS HG3 H 1.552 0.030 2 482 51 51 LYS C C 178.190 0.300 1 483 51 51 LYS CA C 58.536 0.300 1 484 51 51 LYS CB C 32.610 0.300 1 485 51 51 LYS CD C 29.236 0.300 1 486 51 51 LYS CE C 42.132 0.300 1 487 51 51 LYS CG C 25.148 0.300 1 488 51 51 LYS N N 119.287 0.300 1 489 52 52 LYS H H 7.856 0.030 1 490 52 52 LYS HA H 4.145 0.030 1 491 52 52 LYS HB2 H 1.896 0.030 2 492 52 52 LYS HB3 H 1.853 0.030 2 493 52 52 LYS HD2 H 1.677 0.030 1 494 52 52 LYS HD3 H 1.677 0.030 1 495 52 52 LYS HE2 H 2.978 0.030 1 496 52 52 LYS HE3 H 2.978 0.030 1 497 52 52 LYS HG2 H 1.503 0.030 2 498 52 52 LYS HG3 H 1.428 0.030 2 499 52 52 LYS C C 177.757 0.300 1 500 52 52 LYS CA C 58.290 0.300 1 501 52 52 LYS CB C 32.651 0.300 1 502 52 52 LYS CD C 29.124 0.300 1 503 52 52 LYS CE C 42.155 0.300 1 504 52 52 LYS CG C 24.904 0.300 1 505 52 52 LYS N N 119.348 0.300 1 506 53 53 SER H H 8.124 0.030 1 507 53 53 SER HA H 4.357 0.030 1 508 53 53 SER HB2 H 3.918 0.030 1 509 53 53 SER HB3 H 3.918 0.030 1 510 53 53 SER C C 175.884 0.300 1 511 53 53 SER CA C 60.086 0.300 1 512 53 53 SER CB C 63.468 0.300 1 513 53 53 SER N N 114.973 0.300 1 514 54 54 MET H H 8.158 0.030 1 515 54 54 MET HA H 4.274 0.030 1 516 54 54 MET HB2 H 2.021 0.030 1 517 54 54 MET HB3 H 2.021 0.030 1 518 54 54 MET HE H 1.980 0.030 1 519 54 54 MET HG2 H 2.347 0.030 2 520 54 54 MET HG3 H 2.452 0.030 2 521 54 54 MET C C 178.009 0.300 1 522 54 54 MET CA C 56.772 0.300 1 523 54 54 MET CB C 31.833 0.300 1 524 54 54 MET CE C 16.683 0.300 1 525 54 54 MET CG C 31.989 0.300 1 526 54 54 MET N N 120.873 0.300 1 527 55 55 LEU H H 7.865 0.030 1 528 55 55 LEU HA H 4.231 0.030 1 529 55 55 LEU HB2 H 1.720 0.030 2 530 55 55 LEU HB3 H 1.610 0.030 2 531 55 55 LEU HD1 H 0.881 0.030 1 532 55 55 LEU HD2 H 0.844 0.030 1 533 55 55 LEU HG H 1.661 0.030 1 534 55 55 LEU C C 177.814 0.300 1 535 55 55 LEU CA C 56.317 0.300 1 536 55 55 LEU CB C 42.135 0.300 1 537 55 55 LEU CD1 C 24.970 0.300 2 538 55 55 LEU CD2 C 23.379 0.300 2 539 55 55 LEU CG C 26.970 0.300 1 540 55 55 LEU N N 121.089 0.300 1 541 56 56 ASP H H 8.146 0.030 1 542 56 56 ASP HA H 4.560 0.030 1 543 56 56 ASP HB2 H 2.692 0.030 1 544 56 56 ASP HB3 H 2.692 0.030 1 545 56 56 ASP C C 176.693 0.300 1 546 56 56 ASP CA C 55.143 0.300 1 547 56 56 ASP CB C 41.315 0.300 1 548 56 56 ASP N N 118.899 0.300 1 549 57 57 LYS H H 8.282 0.030 1 550 57 57 LYS HA H 4.337 0.030 1 551 57 57 LYS HB2 H 1.890 0.030 1 552 57 57 LYS HB3 H 1.890 0.030 1 553 57 57 LYS HD2 H 1.671 0.030 1 554 57 57 LYS HD3 H 1.671 0.030 1 555 57 57 LYS HE2 H 2.979 0.030 1 556 57 57 LYS HE3 H 2.979 0.030 1 557 57 57 LYS HG2 H 1.420 0.030 1 558 57 57 LYS HG3 H 1.420 0.030 1 559 57 57 LYS C C 177.048 0.300 1 560 57 57 LYS CA C 56.310 0.300 1 561 57 57 LYS CB C 32.600 0.300 1 562 57 57 LYS CD C 29.087 0.300 1 563 57 57 LYS CE C 42.122 0.300 1 564 57 57 LYS CG C 24.789 0.300 1 565 57 57 LYS N N 117.801 0.300 1 566 58 58 GLY H H 8.256 0.030 1 567 58 58 GLY HA2 H 3.977 0.030 1 568 58 58 GLY HA3 H 3.977 0.030 1 569 58 58 GLY C C 173.603 0.300 1 570 58 58 GLY CA C 45.538 0.300 1 571 58 58 GLY N N 108.457 0.300 1 572 59 59 GLU H H 7.796 0.030 1 573 59 59 GLU HA H 4.387 0.030 1 574 59 59 GLU HB2 H 2.003 0.030 2 575 59 59 GLU HB3 H 1.857 0.030 2 576 59 59 GLU HG2 H 2.116 0.030 1 577 59 59 GLU HG3 H 2.116 0.030 1 578 59 59 GLU C C 175.570 0.300 1 579 59 59 GLU CA C 55.720 0.300 1 580 59 59 GLU CB C 31.529 0.300 1 581 59 59 GLU CG C 36.025 0.300 1 582 59 59 GLU N N 118.541 0.300 1 583 60 60 SER H H 8.450 0.030 1 584 60 60 SER HA H 4.477 0.030 1 585 60 60 SER HB2 H 3.301 0.030 1 586 60 60 SER HB3 H 3.301 0.030 1 587 60 60 SER C C 173.130 0.300 1 588 60 60 SER CA C 57.431 0.300 1 589 60 60 SER CB C 64.008 0.300 1 590 60 60 SER N N 117.454 0.300 1 591 61 61 SER H H 8.385 0.030 1 592 61 61 SER HA H 4.838 0.030 1 593 61 61 SER HB2 H 3.609 0.030 2 594 61 61 SER HB3 H 3.419 0.030 2 595 61 61 SER C C 173.499 0.300 1 596 61 61 SER CA C 56.949 0.300 1 597 61 61 SER CB C 65.479 0.300 1 598 61 61 SER N N 116.227 0.300 1 599 62 62 CYS H H 8.551 0.030 1 600 62 62 CYS HA H 4.289 0.030 1 601 62 62 CYS HB2 H 3.199 0.030 1 602 62 62 CYS HB3 H 3.199 0.030 1 603 62 62 CYS C C 176.346 0.300 1 604 62 62 CYS CA C 57.012 0.300 1 605 62 62 CYS CB C 31.490 0.300 1 606 62 62 CYS N N 126.227 0.300 1 607 63 63 PRO HA H 4.321 0.030 1 608 63 63 PRO HB2 H 2.295 0.030 2 609 63 63 PRO HB3 H 1.816 0.030 2 610 63 63 PRO HD2 H 3.513 0.030 2 611 63 63 PRO HD3 H 3.703 0.030 2 612 63 63 PRO HG2 H 1.583 0.030 2 613 63 63 PRO HG3 H 1.380 0.030 2 614 63 63 PRO CA C 64.505 0.300 1 615 63 63 PRO CB C 32.566 0.300 1 616 63 63 PRO CD C 50.616 0.300 1 617 63 63 PRO CG C 27.080 0.300 1 618 64 64 VAL H H 8.745 0.030 1 619 64 64 VAL HA H 3.871 0.030 1 620 64 64 VAL HB H 1.275 0.030 1 621 64 64 VAL HG1 H 0.861 0.030 1 622 64 64 VAL HG2 H 0.418 0.030 1 623 64 64 VAL CA C 65.080 0.300 1 624 64 64 VAL CB C 33.084 0.300 1 625 64 64 VAL CG1 C 21.875 0.300 2 626 64 64 VAL CG2 C 20.156 0.300 2 627 65 65 CYS H H 9.177 0.030 1 628 65 65 CYS HA H 4.112 0.030 1 629 65 65 CYS HB2 H 3.406 0.030 1 630 65 65 CYS HB3 H 3.406 0.030 1 631 65 65 CYS C C 176.657 0.300 1 632 65 65 CYS CA C 58.944 0.300 1 633 65 65 CYS CB C 31.412 0.300 1 634 66 66 ARG H H 8.193 0.030 1 635 66 66 ARG HA H 4.088 0.030 1 636 66 66 ARG HB2 H 2.082 0.030 1 637 66 66 ARG HB3 H 2.082 0.030 1 638 66 66 ARG HD2 H 3.164 0.030 2 639 66 66 ARG HD3 H 3.121 0.030 2 640 66 66 ARG HG2 H 1.553 0.030 2 641 66 66 ARG HG3 H 1.505 0.030 2 642 66 66 ARG C C 174.174 0.300 1 643 66 66 ARG CA C 57.857 0.300 1 644 66 66 ARG CB C 27.365 0.300 1 645 66 66 ARG CD C 42.985 0.300 1 646 66 66 ARG CG C 27.354 0.300 1 647 67 67 ILE H H 7.793 0.030 1 648 67 67 ILE HA H 4.218 0.030 1 649 67 67 ILE HB H 1.962 0.030 1 650 67 67 ILE HD1 H 0.951 0.030 1 651 67 67 ILE HG12 H 1.383 0.030 2 652 67 67 ILE HG13 H 1.727 0.030 2 653 67 67 ILE HG2 H 1.082 0.030 1 654 67 67 ILE CA C 62.347 0.300 1 655 67 67 ILE CB C 37.438 0.300 1 656 67 67 ILE CD1 C 12.533 0.300 1 657 67 67 ILE CG1 C 28.948 0.300 1 658 67 67 ILE CG2 C 17.330 0.300 1 659 68 68 SER H H 8.756 0.030 1 660 68 68 SER HA H 4.708 0.030 1 661 68 68 SER HB2 H 3.859 0.030 1 662 68 68 SER HB3 H 3.859 0.030 1 663 68 68 SER CA C 59.225 0.300 1 664 68 68 SER CB C 64.011 0.300 1 665 69 69 TYR H H 8.064 0.030 1 666 69 69 TYR HA H 4.902 0.030 1 667 69 69 TYR HB2 H 3.135 0.030 2 668 69 69 TYR HB3 H 3.012 0.030 2 669 69 69 TYR HD1 H 6.817 0.030 1 670 69 69 TYR HD2 H 6.817 0.030 1 671 69 69 TYR HE1 H 6.449 0.030 1 672 69 69 TYR HE2 H 6.449 0.030 1 673 69 69 TYR C C 175.466 0.300 1 674 69 69 TYR CA C 56.304 0.300 1 675 69 69 TYR CB C 40.598 0.300 1 676 69 69 TYR CD1 C 133.800 0.300 1 677 69 69 TYR CD2 C 133.800 0.300 1 678 69 69 TYR CE1 C 117.150 0.300 1 679 69 69 TYR CE2 C 117.150 0.300 1 680 69 69 TYR N N 119.466 0.300 1 681 70 70 GLN H H 8.550 0.030 1 682 70 70 GLN HA H 4.761 0.030 1 683 70 70 GLN HB2 H 2.196 0.030 2 684 70 70 GLN HB3 H 1.933 0.030 2 685 70 70 GLN HE21 H 7.655 0.030 2 686 70 70 GLN HE22 H 6.833 0.030 2 687 70 70 GLN HG2 H 2.375 0.030 1 688 70 70 GLN HG3 H 2.375 0.030 1 689 70 70 GLN C C 175.991 0.300 1 690 70 70 GLN CA C 52.566 0.300 1 691 70 70 GLN CB C 29.353 0.300 1 692 70 70 GLN CG C 33.750 0.300 1 693 70 70 GLN NE2 N 112.515 0.300 1 694 71 71 PRO HA H 4.140 0.030 1 695 71 71 PRO HB2 H 1.837 0.030 1 696 71 71 PRO HB3 H 1.837 0.030 1 697 71 71 PRO HD2 H 3.794 0.030 2 698 71 71 PRO HD3 H 3.667 0.030 2 699 71 71 PRO HG2 H 1.770 0.030 2 700 71 71 PRO HG3 H 1.998 0.030 2 701 71 71 PRO CA C 65.081 0.300 1 702 71 71 PRO CB C 31.840 0.300 1 703 71 71 PRO CD C 50.782 0.300 1 704 71 71 PRO CG C 27.498 0.300 1 705 72 72 GLU H H 9.156 0.030 1 706 72 72 GLU HA H 4.166 0.030 1 707 72 72 GLU HB2 H 2.032 0.030 2 708 72 72 GLU HB3 H 1.978 0.030 2 709 72 72 GLU HG2 H 2.258 0.030 1 710 72 72 GLU HG3 H 2.258 0.030 1 711 72 72 GLU C C 176.733 0.300 1 712 72 72 GLU CA C 58.103 0.300 1 713 72 72 GLU CB C 28.978 0.300 1 714 72 72 GLU CG C 36.139 0.300 1 715 73 73 ASN H H 8.177 0.030 1 716 73 73 ASN HA H 4.807 0.030 1 717 73 73 ASN HB2 H 2.829 0.030 2 718 73 73 ASN HB3 H 3.080 0.030 2 719 73 73 ASN HD21 H 7.808 0.030 2 720 73 73 ASN HD22 H 6.955 0.030 2 721 73 73 ASN C C 174.850 0.300 1 722 73 73 ASN CA C 53.386 0.300 1 723 73 73 ASN CB C 39.291 0.300 1 724 73 73 ASN N N 117.200 0.300 1 725 73 73 ASN ND2 N 111.824 0.300 1 726 74 74 ILE H H 7.519 0.030 1 727 74 74 ILE HA H 4.180 0.030 1 728 74 74 ILE HB H 1.915 0.030 1 729 74 74 ILE HD1 H 0.796 0.030 1 730 74 74 ILE HG12 H 1.466 0.030 2 731 74 74 ILE HG13 H 1.143 0.030 2 732 74 74 ILE HG2 H 0.824 0.030 1 733 74 74 ILE C C 175.753 0.300 1 734 74 74 ILE CA C 61.144 0.300 1 735 74 74 ILE CB C 37.844 0.300 1 736 74 74 ILE CD1 C 13.164 0.300 1 737 74 74 ILE CG1 C 27.126 0.300 1 738 74 74 ILE CG2 C 18.135 0.300 1 739 74 74 ILE N N 119.367 0.300 1 740 75 75 ARG H H 8.406 0.030 1 741 75 75 ARG HA H 4.707 0.030 1 742 75 75 ARG HB2 H 1.839 0.030 2 743 75 75 ARG HB3 H 1.746 0.030 2 744 75 75 ARG HD2 H 3.170 0.030 1 745 75 75 ARG HD3 H 3.170 0.030 1 746 75 75 ARG HG2 H 1.647 0.030 1 747 75 75 ARG HG3 H 1.647 0.030 1 748 75 75 ARG C C 174.032 0.300 1 749 75 75 ARG CA C 53.569 0.300 1 750 75 75 ARG CB C 30.569 0.300 1 751 75 75 ARG CD C 43.395 0.300 1 752 75 75 ARG CG C 26.794 0.300 1 753 75 75 ARG N N 126.358 0.300 1 754 76 76 PRO HA H 4.480 0.030 1 755 76 76 PRO HB2 H 1.892 0.030 2 756 76 76 PRO HB3 H 2.259 0.030 2 757 76 76 PRO HD2 H 3.668 0.030 2 758 76 76 PRO HD3 H 3.800 0.030 2 759 76 76 PRO HG2 H 2.000 0.030 1 760 76 76 PRO HG3 H 2.000 0.030 1 761 76 76 PRO C C 176.549 0.300 1 762 76 76 PRO CA C 63.088 0.300 1 763 76 76 PRO CB C 32.146 0.300 1 764 76 76 PRO CD C 50.581 0.300 1 765 76 76 PRO CG C 27.339 0.300 1 766 77 77 ASN H H 8.475 0.030 1 767 77 77 ASN HA H 4.638 0.030 1 768 77 77 ASN HB2 H 2.798 0.030 2 769 77 77 ASN HB3 H 2.698 0.030 2 770 77 77 ASN HD21 H 6.884 0.030 2 771 77 77 ASN HD22 H 7.597 0.030 2 772 77 77 ASN C C 175.144 0.300 1 773 77 77 ASN CA C 53.360 0.300 1 774 77 77 ASN CB C 38.875 0.300 1 775 77 77 ASN N N 118.576 0.300 1 776 77 77 ASN ND2 N 112.806 0.300 1 777 78 78 ARG H H 8.256 0.030 1 778 78 78 ARG HA H 4.276 0.030 1 779 78 78 ARG HB2 H 1.701 0.030 2 780 78 78 ARG HB3 H 1.795 0.030 2 781 78 78 ARG HD2 H 3.160 0.030 1 782 78 78 ARG HD3 H 3.160 0.030 1 783 78 78 ARG HG2 H 1.518 0.030 1 784 78 78 ARG HG3 H 1.518 0.030 1 785 78 78 ARG C C 175.881 0.300 1 786 78 78 ARG CA C 56.284 0.300 1 787 78 78 ARG CB C 30.774 0.300 1 788 78 78 ARG CD C 43.392 0.300 1 789 78 78 ARG CG C 26.921 0.300 1 790 78 78 ARG N N 121.131 0.300 1 791 79 79 HIS H H 8.439 0.030 1 792 79 79 HIS HA H 4.631 0.030 1 793 79 79 HIS HB2 H 3.122 0.030 2 794 79 79 HIS HB3 H 3.069 0.030 2 795 79 79 HIS HD2 H 7.034 0.030 1 796 79 79 HIS HE1 H 7.960 0.030 1 797 79 79 HIS C C 175.106 0.300 1 798 79 79 HIS CA C 56.306 0.300 1 799 79 79 HIS CB C 30.475 0.300 1 800 79 79 HIS CD2 C 119.953 0.300 1 801 79 79 HIS CE1 C 138.079 0.300 1 802 79 79 HIS N N 121.038 0.300 1 803 80 80 VAL H H 7.983 0.030 1 804 80 80 VAL HA H 4.062 0.030 1 805 80 80 VAL HB H 2.023 0.030 1 806 80 80 VAL HG1 H 0.899 0.030 1 807 80 80 VAL HG2 H 0.873 0.030 1 808 80 80 VAL C C 175.393 0.300 1 809 80 80 VAL CA C 62.134 0.300 1 810 80 80 VAL CB C 32.901 0.300 1 811 80 80 VAL CG1 C 21.334 0.300 2 812 80 80 VAL CG2 C 20.441 0.300 2 813 80 80 VAL N N 122.207 0.300 1 814 81 81 ALA H H 8.355 0.030 1 815 81 81 ALA HA H 4.290 0.030 1 816 81 81 ALA HB H 1.367 0.030 1 817 81 81 ALA C C 177.141 0.300 1 818 81 81 ALA CA C 52.395 0.300 1 819 81 81 ALA CB C 19.428 0.300 1 820 81 81 ALA N N 127.421 0.300 1 821 82 82 ASN H H 8.369 0.030 1 822 82 82 ASN HA H 4.676 0.030 1 823 82 82 ASN HB2 H 2.782 0.030 2 824 82 82 ASN HB3 H 2.707 0.030 2 825 82 82 ASN HD21 H 7.597 0.030 2 826 82 82 ASN HD22 H 6.966 0.030 2 827 82 82 ASN C C 174.770 0.300 1 828 82 82 ASN CA C 53.235 0.300 1 829 82 82 ASN CB C 38.990 0.300 1 830 82 82 ASN N N 118.200 0.300 1 831 82 82 ASN ND2 N 112.851 0.300 1 832 83 83 ILE H H 8.087 0.030 1 833 83 83 ILE HA H 4.180 0.030 1 834 83 83 ILE HB H 1.836 0.030 1 835 83 83 ILE HD1 H 0.841 0.030 1 836 83 83 ILE HG12 H 1.432 0.030 2 837 83 83 ILE HG13 H 1.145 0.030 2 838 83 83 ILE HG2 H 0.870 0.030 1 839 83 83 ILE C C 175.915 0.300 1 840 83 83 ILE CA C 61.131 0.300 1 841 83 83 ILE CB C 38.708 0.300 1 842 83 83 ILE CD1 C 12.910 0.300 1 843 83 83 ILE CG1 C 27.199 0.300 1 844 83 83 ILE CG2 C 17.468 0.300 1 845 83 83 ILE N N 121.482 0.300 1 846 84 84 VAL H H 8.255 0.030 1 847 84 84 VAL HA H 4.139 0.030 1 848 84 84 VAL HB H 2.059 0.030 1 849 84 84 VAL HG1 H 0.906 0.030 1 850 84 84 VAL HG2 H 0.908 0.030 1 851 84 84 VAL C C 175.141 0.300 1 852 84 84 VAL CA C 62.294 0.300 1 853 84 84 VAL CB C 32.763 0.300 1 854 84 84 VAL CG1 C 20.420 0.300 2 855 84 84 VAL CG2 C 21.696 0.300 2 856 84 84 VAL N N 125.411 0.300 1 857 85 85 GLU H H 8.044 0.030 1 858 85 85 GLU HA H 4.122 0.030 1 859 85 85 GLU HB2 H 2.004 0.030 2 860 85 85 GLU HB3 H 1.874 0.030 2 861 85 85 GLU HG2 H 2.178 0.030 1 862 85 85 GLU HG3 H 2.178 0.030 1 863 85 85 GLU C C 180.923 0.300 1 864 85 85 GLU CA C 57.985 0.300 1 865 85 85 GLU CB C 31.314 0.300 1 866 85 85 GLU CG C 36.682 0.300 1 867 85 85 GLU N N 130.431 0.300 1 stop_ save_