data_11234 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the RING domain (1-66) from tripartite motif-containing protein 31 ; _BMRB_accession_number 11234 _BMRB_flat_file_name bmr11234.str _Entry_type original _Submission_date 2010-07-23 _Accession_date 2010-07-23 _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 Qin X. . . 2 Nagashima T. . . 3 Hayashi F. . . 4 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 406 "13C chemical shifts" 299 "15N chemical shifts" 63 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-03 original author . stop_ _Original_release_date 2011-08-03 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the RING domain (1-66) from tripartite motif-containing protein 31 ; _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 Qin X. . . 2 Nagashima T. . . 3 Hayashi F. . . 4 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 31' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RING-type zinc 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 'RING-type zinc finger' _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 73 _Mol_residue_sequence ; GSSGSSGMASGQFVNKLQEE VICPICLDILQKPVTIDCGH NFCLKCITQIGETSCGFFKC PLCKTSVRKNAIR ; 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 GLN 13 PHE 14 VAL 15 ASN 16 LYS 17 LEU 18 GLN 19 GLU 20 GLU 21 VAL 22 ILE 23 CYS 24 PRO 25 ILE 26 CYS 27 LEU 28 ASP 29 ILE 30 LEU 31 GLN 32 LYS 33 PRO 34 VAL 35 THR 36 ILE 37 ASP 38 CYS 39 GLY 40 HIS 41 ASN 42 PHE 43 CYS 44 LEU 45 LYS 46 CYS 47 ILE 48 THR 49 GLN 50 ILE 51 GLY 52 GLU 53 THR 54 SER 55 CYS 56 GLY 57 PHE 58 PHE 59 LYS 60 CYS 61 PRO 62 LEU 63 CYS 64 LYS 65 THR 66 SER 67 VAL 68 ARG 69 LYS 70 ASN 71 ALA 72 ILE 73 ARG 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 2YSJ "Solution Structure Of The Ring Domain (1-56) From Tripartite Motif-containing Protein 31" 86.30 63 100.00 100.00 1.88e-36 PDB 2YSL "Solution Structure Of The Ring Domain (1-66) From Tripartite Motif-containing Protein 31" 100.00 73 100.00 100.00 4.49e-44 DBJ BAD96449 "tripartite motif protein 31 isoform alpha variant [Homo sapiens]" 90.41 425 100.00 100.00 2.05e-38 DBJ BAE78603 "tripartite motif-containing 31 [Homo sapiens]" 90.41 425 100.00 100.00 1.95e-38 DBJ BAE92827 "tripartite motif protein 31, isoform alpha [Pan troglodytes]" 90.41 426 100.00 100.00 1.61e-38 DBJ BAE92828 "tripartite motif protein 31, isoform alpha [Pan troglodytes]" 90.41 426 100.00 100.00 1.57e-38 DBJ BAF82959 "unnamed protein product [Homo sapiens]" 90.41 425 100.00 100.00 1.95e-38 EMBL CAM26290 "tripartite motif-containing 31 [Homo sapiens]" 90.41 425 100.00 100.00 1.95e-38 GB AAH17017 "Tripartite motif-containing 31 [Homo sapiens]" 90.41 425 100.00 100.00 2.01e-38 GB AAP35321 "tripartite motif-containing 31 [Homo sapiens]" 90.41 425 100.00 100.00 2.01e-38 GB AAP36702 "Homo sapiens tripartite motif-containing 31 [synthetic construct]" 90.41 426 100.00 100.00 2.03e-38 GB AAX41911 "tripartite motif-containing 31 [synthetic construct]" 90.41 425 100.00 100.00 2.01e-38 GB AAX41912 "tripartite motif-containing 31 [synthetic construct]" 90.41 425 100.00 100.00 2.01e-38 REF NP_008959 "E3 ubiquitin-protein ligase TRIM31 [Homo sapiens]" 90.41 425 100.00 100.00 1.95e-38 REF XP_003272070 "PREDICTED: E3 ubiquitin-protein ligase TRIM31 isoform X1 [Nomascus leucogenys]" 90.41 475 96.97 96.97 4.33e-36 REF XP_004043605 "PREDICTED: E3 ubiquitin-protein ligase TRIM31 [Gorilla gorilla gorilla]" 90.41 474 98.48 98.48 1.20e-37 REF XP_008953353 "PREDICTED: E3 ubiquitin-protein ligase TRIM31 isoform X1 [Pan paniscus]" 90.41 474 100.00 100.00 1.57e-38 REF XP_008953354 "PREDICTED: E3 ubiquitin-protein ligase TRIM31 isoform X2 [Pan paniscus]" 90.41 460 100.00 100.00 1.70e-38 SP Q9BZY9 "RecName: Full=E3 ubiquitin-protein ligase TRIM31; AltName: Full=Tripartite motif-containing protein 31" 90.41 425 100.00 100.00 1.95e-38 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 . P060529-14 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.16mM 13C, 15N-labeled {protein;} 20mM d-Tris-HCl(pH {7.0);} 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 1.16 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_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . 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 0.9820 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 Varian _Model INOVA _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 0.1 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 $VNMR $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-type zinc 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 3.956 0.030 1 2 7 7 GLY HA3 H 3.956 0.030 1 3 7 7 GLY C C 174.225 0.300 1 4 7 7 GLY CA C 45.488 0.300 1 5 8 8 MET H H 8.170 0.030 1 6 8 8 MET HA H 4.469 0.030 1 7 8 8 MET HB2 H 2.082 0.030 2 8 8 8 MET HB3 H 1.986 0.030 2 9 8 8 MET HE H 2.071 0.030 1 10 8 8 MET HG2 H 2.512 0.030 2 11 8 8 MET HG3 H 2.583 0.030 2 12 8 8 MET C C 176.206 0.300 1 13 8 8 MET CA C 55.523 0.300 1 14 8 8 MET CB C 33.046 0.300 1 15 8 8 MET CE C 16.948 0.300 1 16 8 8 MET CG C 31.920 0.300 1 17 8 8 MET N N 119.895 0.300 1 18 9 9 ALA H H 8.388 0.030 1 19 9 9 ALA HA H 4.368 0.030 1 20 9 9 ALA HB H 1.424 0.030 1 21 9 9 ALA C C 177.757 0.300 1 22 9 9 ALA CA C 52.541 0.300 1 23 9 9 ALA CB C 19.169 0.300 1 24 9 9 ALA N N 125.376 0.300 1 25 10 10 SER H H 8.282 0.030 1 26 10 10 SER HA H 4.416 0.030 1 27 10 10 SER HB2 H 3.894 0.030 1 28 10 10 SER HB3 H 3.894 0.030 1 29 10 10 SER C C 175.228 0.300 1 30 10 10 SER CA C 58.523 0.300 1 31 10 10 SER CB C 63.948 0.300 1 32 10 10 SER N N 114.927 0.300 1 33 11 11 GLY H H 8.396 0.030 1 34 11 11 GLY HA2 H 3.945 0.030 1 35 11 11 GLY HA3 H 3.945 0.030 1 36 11 11 GLY C C 174.070 0.300 1 37 11 11 GLY CA C 45.470 0.300 1 38 11 11 GLY N N 110.570 0.300 1 39 12 12 GLN H H 8.107 0.030 1 40 12 12 GLN HA H 4.251 0.030 1 41 12 12 GLN HB2 H 1.858 0.030 2 42 12 12 GLN HB3 H 1.927 0.030 2 43 12 12 GLN HE21 H 7.449 0.030 2 44 12 12 GLN HE22 H 6.829 0.030 2 45 12 12 GLN HG2 H 2.152 0.030 2 46 12 12 GLN HG3 H 2.192 0.030 2 47 12 12 GLN C C 175.594 0.300 1 48 12 12 GLN CA C 55.974 0.300 1 49 12 12 GLN CB C 29.471 0.300 1 50 12 12 GLN CG C 33.601 0.300 1 51 12 12 GLN N N 119.444 0.300 1 52 12 12 GLN NE2 N 112.357 0.300 1 53 13 13 PHE H H 8.271 0.030 1 54 13 13 PHE HA H 4.660 0.030 1 55 13 13 PHE HB2 H 3.154 0.030 2 56 13 13 PHE HB3 H 3.002 0.030 2 57 13 13 PHE HD1 H 7.241 0.030 1 58 13 13 PHE HD2 H 7.241 0.030 1 59 13 13 PHE HE1 H 7.338 0.030 1 60 13 13 PHE HE2 H 7.338 0.030 1 61 13 13 PHE HZ H 7.287 0.030 1 62 13 13 PHE C C 175.553 0.300 1 63 13 13 PHE CA C 57.548 0.300 1 64 13 13 PHE CB C 39.434 0.300 1 65 13 13 PHE CD1 C 131.578 0.300 1 66 13 13 PHE CD2 C 131.578 0.300 1 67 13 13 PHE CE1 C 131.489 0.300 1 68 13 13 PHE CE2 C 131.489 0.300 1 69 13 13 PHE CZ C 129.555 0.300 1 70 13 13 PHE N N 120.947 0.300 1 71 14 14 VAL H H 7.962 0.030 1 72 14 14 VAL HA H 4.044 0.030 1 73 14 14 VAL HB H 1.995 0.030 1 74 14 14 VAL HG1 H 0.896 0.030 1 75 14 14 VAL HG2 H 0.878 0.030 1 76 14 14 VAL C C 175.411 0.300 1 77 14 14 VAL CA C 62.230 0.300 1 78 14 14 VAL CB C 32.928 0.300 1 79 14 14 VAL CG1 C 20.499 0.300 2 80 14 14 VAL CG2 C 20.933 0.300 2 81 14 14 VAL N N 121.802 0.300 1 82 15 15 ASN H H 8.430 0.030 1 83 15 15 ASN HA H 4.653 0.030 1 84 15 15 ASN HB2 H 2.826 0.030 2 85 15 15 ASN HB3 H 2.734 0.030 2 86 15 15 ASN HD21 H 7.620 0.030 2 87 15 15 ASN HD22 H 6.936 0.030 2 88 15 15 ASN C C 174.964 0.300 1 89 15 15 ASN CA C 53.080 0.300 1 90 15 15 ASN CB C 38.900 0.300 1 91 15 15 ASN N N 122.498 0.300 1 92 15 15 ASN ND2 N 112.727 0.300 1 93 16 16 LYS H H 8.259 0.030 1 94 16 16 LYS HA H 4.286 0.030 1 95 16 16 LYS HB2 H 1.822 0.030 2 96 16 16 LYS HB3 H 1.736 0.030 2 97 16 16 LYS HD2 H 1.651 0.030 1 98 16 16 LYS HD3 H 1.651 0.030 1 99 16 16 LYS HE2 H 2.967 0.030 1 100 16 16 LYS HE3 H 2.967 0.030 1 101 16 16 LYS HG2 H 1.397 0.030 1 102 16 16 LYS HG3 H 1.397 0.030 1 103 16 16 LYS C C 176.398 0.300 1 104 16 16 LYS CA C 56.441 0.300 1 105 16 16 LYS CB C 33.046 0.300 1 106 16 16 LYS CD C 29.057 0.300 1 107 16 16 LYS CE C 42.090 0.300 1 108 16 16 LYS CG C 24.623 0.300 1 109 16 16 LYS N N 122.254 0.300 1 110 17 17 LEU H H 8.286 0.030 1 111 17 17 LEU HA H 4.306 0.030 1 112 17 17 LEU HB2 H 1.651 0.030 2 113 17 17 LEU HB3 H 1.573 0.030 2 114 17 17 LEU HD1 H 0.911 0.030 1 115 17 17 LEU HD2 H 0.857 0.030 1 116 17 17 LEU HG H 1.613 0.030 1 117 17 17 LEU C C 177.314 0.300 1 118 17 17 LEU CA C 55.308 0.300 1 119 17 17 LEU CB C 42.120 0.300 1 120 17 17 LEU CD1 C 24.906 0.300 2 121 17 17 LEU CD2 C 23.417 0.300 2 122 17 17 LEU CG C 27.024 0.300 1 123 17 17 LEU N N 123.091 0.300 1 124 18 18 GLN H H 8.268 0.030 1 125 18 18 GLN HA H 4.288 0.030 1 126 18 18 GLN HB2 H 2.097 0.030 2 127 18 18 GLN HB3 H 1.993 0.030 2 128 18 18 GLN HE21 H 7.573 0.030 2 129 18 18 GLN HE22 H 6.846 0.030 2 130 18 18 GLN HG2 H 2.338 0.030 1 131 18 18 GLN HG3 H 2.338 0.030 1 132 18 18 GLN C C 175.737 0.300 1 133 18 18 GLN CA C 55.927 0.300 1 134 18 18 GLN CB C 29.331 0.300 1 135 18 18 GLN CG C 33.806 0.300 1 136 18 18 GLN N N 120.708 0.300 1 137 18 18 GLN NE2 N 112.371 0.300 1 138 19 19 GLU H H 8.369 0.030 1 139 19 19 GLU HA H 4.236 0.030 1 140 19 19 GLU HB2 H 2.031 0.030 2 141 19 19 GLU HB3 H 1.921 0.030 2 142 19 19 GLU HG2 H 2.230 0.030 1 143 19 19 GLU HG3 H 2.230 0.030 1 144 19 19 GLU C C 176.353 0.300 1 145 19 19 GLU CA C 56.730 0.300 1 146 19 19 GLU CB C 30.444 0.300 1 147 19 19 GLU CG C 36.361 0.300 1 148 19 19 GLU N N 121.648 0.300 1 149 20 20 GLU H H 8.409 0.030 1 150 20 20 GLU HA H 4.323 0.030 1 151 20 20 GLU HB2 H 1.993 0.030 2 152 20 20 GLU HB3 H 1.914 0.030 2 153 20 20 GLU HG2 H 2.202 0.030 2 154 20 20 GLU HG3 H 2.257 0.030 2 155 20 20 GLU C C 175.950 0.300 1 156 20 20 GLU CA C 56.500 0.300 1 157 20 20 GLU CB C 30.389 0.300 1 158 20 20 GLU CG C 36.470 0.300 1 159 20 20 GLU N N 121.347 0.300 1 160 21 21 VAL H H 8.280 0.030 1 161 21 21 VAL HA H 4.199 0.030 1 162 21 21 VAL HB H 2.103 0.030 1 163 21 21 VAL HG1 H 0.887 0.030 1 164 21 21 VAL HG2 H 0.904 0.030 1 165 21 21 VAL C C 174.694 0.300 1 166 21 21 VAL CA C 61.960 0.300 1 167 21 21 VAL CB C 32.702 0.300 1 168 21 21 VAL CG1 C 21.783 0.300 2 169 21 21 VAL CG2 C 20.508 0.300 2 170 21 21 VAL N N 121.092 0.300 1 171 22 22 ILE H H 7.766 0.030 1 172 22 22 ILE HA H 4.566 0.030 1 173 22 22 ILE HB H 1.593 0.030 1 174 22 22 ILE HD1 H 0.689 0.030 1 175 22 22 ILE HG12 H 1.222 0.030 2 176 22 22 ILE HG13 H 1.084 0.030 2 177 22 22 ILE HG2 H 0.651 0.030 1 178 22 22 ILE C C 175.774 0.300 1 179 22 22 ILE CA C 58.438 0.300 1 180 22 22 ILE CB C 40.226 0.300 1 181 22 22 ILE CD1 C 12.635 0.300 1 182 22 22 ILE CG1 C 26.500 0.300 1 183 22 22 ILE CG2 C 17.358 0.300 1 184 22 22 ILE N N 121.372 0.300 1 185 23 23 CYS H H 8.989 0.030 1 186 23 23 CYS HA H 4.611 0.030 1 187 23 23 CYS HB2 H 3.676 0.030 2 188 23 23 CYS HB3 H 2.882 0.030 2 189 23 23 CYS C C 175.592 0.300 1 190 23 23 CYS CA C 56.783 0.300 1 191 23 23 CYS CB C 32.200 0.300 1 192 23 23 CYS N N 129.611 0.300 1 193 24 24 PRO HA H 4.441 0.030 1 194 24 24 PRO HB2 H 2.444 0.030 2 195 24 24 PRO HB3 H 1.946 0.030 2 196 24 24 PRO HD2 H 4.154 0.030 1 197 24 24 PRO HD3 H 4.154 0.030 1 198 24 24 PRO HG2 H 1.979 0.030 2 199 24 24 PRO HG3 H 1.850 0.030 2 200 24 24 PRO C C 176.771 0.300 1 201 24 24 PRO CA C 64.093 0.300 1 202 24 24 PRO CB C 32.906 0.300 1 203 24 24 PRO CD C 51.583 0.300 1 204 24 24 PRO CG C 27.743 0.300 1 205 25 25 ILE H H 8.849 0.030 1 206 25 25 ILE HA H 4.150 0.030 1 207 25 25 ILE HB H 2.524 0.030 1 208 25 25 ILE HD1 H 0.643 0.030 1 209 25 25 ILE HG12 H 1.262 0.030 2 210 25 25 ILE HG13 H 1.655 0.030 2 211 25 25 ILE HG2 H 0.948 0.030 1 212 25 25 ILE C C 176.462 0.300 1 213 25 25 ILE CA C 63.398 0.300 1 214 25 25 ILE CB C 37.423 0.300 1 215 25 25 ILE CD1 C 12.966 0.300 1 216 25 25 ILE CG1 C 27.821 0.300 1 217 25 25 ILE CG2 C 17.359 0.300 1 218 25 25 ILE N N 119.602 0.300 1 219 26 26 CYS H H 7.918 0.030 1 220 26 26 CYS HA H 4.638 0.030 1 221 26 26 CYS HB2 H 3.138 0.030 2 222 26 26 CYS HB3 H 2.834 0.030 2 223 26 26 CYS C C 176.426 0.300 1 224 26 26 CYS CA C 59.115 0.300 1 225 26 26 CYS CB C 31.512 0.300 1 226 26 26 CYS N N 117.991 0.300 1 227 27 27 LEU H H 8.151 0.030 1 228 27 27 LEU HA H 4.160 0.030 1 229 27 27 LEU HB2 H 2.126 0.030 2 230 27 27 LEU HB3 H 1.610 0.030 2 231 27 27 LEU HD1 H 0.876 0.030 1 232 27 27 LEU HD2 H 0.816 0.030 1 233 27 27 LEU HG H 1.377 0.030 1 234 27 27 LEU C C 175.291 0.300 1 235 27 27 LEU CA C 56.597 0.300 1 236 27 27 LEU CB C 38.146 0.300 1 237 27 27 LEU CD1 C 25.410 0.300 2 238 27 27 LEU CD2 C 22.673 0.300 2 239 27 27 LEU CG C 27.124 0.300 1 240 27 27 LEU N N 119.037 0.300 1 241 28 28 ASP H H 8.464 0.030 1 242 28 28 ASP HA H 4.855 0.030 1 243 28 28 ASP HB2 H 2.881 0.030 2 244 28 28 ASP HB3 H 2.770 0.030 2 245 28 28 ASP C C 175.867 0.300 1 246 28 28 ASP CA C 52.921 0.300 1 247 28 28 ASP CB C 42.919 0.300 1 248 28 28 ASP N N 121.811 0.300 1 249 29 29 ILE H H 8.525 0.030 1 250 29 29 ILE HA H 4.006 0.030 1 251 29 29 ILE HB H 1.736 0.030 1 252 29 29 ILE HD1 H 0.845 0.030 1 253 29 29 ILE HG12 H 1.569 0.030 2 254 29 29 ILE HG13 H 1.186 0.030 2 255 29 29 ILE HG2 H 0.914 0.030 1 256 29 29 ILE C C 176.552 0.300 1 257 29 29 ILE CA C 61.960 0.300 1 258 29 29 ILE CB C 37.927 0.300 1 259 29 29 ILE CD1 C 12.745 0.300 1 260 29 29 ILE CG1 C 28.160 0.300 1 261 29 29 ILE CG2 C 17.679 0.300 1 262 29 29 ILE N N 120.301 0.300 1 263 30 30 LEU H H 8.479 0.030 1 264 30 30 LEU HA H 4.341 0.030 1 265 30 30 LEU HB2 H 1.492 0.030 2 266 30 30 LEU HB3 H 1.227 0.030 2 267 30 30 LEU HD1 H 0.715 0.030 1 268 30 30 LEU HD2 H 0.751 0.030 1 269 30 30 LEU HG H 1.436 0.030 1 270 30 30 LEU C C 176.474 0.300 1 271 30 30 LEU CA C 55.141 0.300 1 272 30 30 LEU CB C 42.947 0.300 1 273 30 30 LEU CD1 C 25.233 0.300 2 274 30 30 LEU CD2 C 24.533 0.300 2 275 30 30 LEU CG C 27.058 0.300 1 276 30 30 LEU N N 127.077 0.300 1 277 31 31 GLN H H 8.298 0.030 1 278 31 31 GLN HA H 4.468 0.030 1 279 31 31 GLN HB2 H 2.120 0.030 2 280 31 31 GLN HB3 H 2.031 0.030 2 281 31 31 GLN HE21 H 7.624 0.030 2 282 31 31 GLN HE22 H 6.879 0.030 2 283 31 31 GLN HG2 H 2.342 0.030 2 284 31 31 GLN HG3 H 2.490 0.030 2 285 31 31 GLN CA C 55.567 0.300 1 286 31 31 GLN CB C 30.366 0.300 1 287 31 31 GLN CG C 33.792 0.300 1 288 31 31 GLN NE2 N 112.677 0.300 1 289 32 32 LYS H H 8.704 0.030 1 290 32 32 LYS HA H 4.384 0.030 1 291 32 32 LYS HB2 H 1.895 0.030 1 292 32 32 LYS HB3 H 1.895 0.030 1 293 32 32 LYS HD2 H 1.718 0.030 1 294 32 32 LYS HD3 H 1.718 0.030 1 295 32 32 LYS HE2 H 3.012 0.030 1 296 32 32 LYS HE3 H 3.012 0.030 1 297 32 32 LYS HG2 H 1.426 0.030 1 298 32 32 LYS HG3 H 1.426 0.030 1 299 32 32 LYS CA C 54.759 0.300 1 300 32 32 LYS CB C 31.773 0.300 1 301 32 32 LYS CD C 29.341 0.300 1 302 32 32 LYS CE C 42.281 0.300 1 303 32 32 LYS CG C 24.770 0.300 1 304 32 32 LYS N N 120.955 0.300 1 305 33 33 PRO HA H 4.352 0.030 1 306 33 33 PRO HB2 H 1.833 0.030 1 307 33 33 PRO HB3 H 1.833 0.030 1 308 33 33 PRO HD2 H 3.698 0.030 2 309 33 33 PRO HD3 H 3.318 0.030 2 310 33 33 PRO HG2 H 1.972 0.030 2 311 33 33 PRO HG3 H 1.825 0.030 2 312 33 33 PRO C C 176.627 0.300 1 313 33 33 PRO CA C 62.737 0.300 1 314 33 33 PRO CB C 32.700 0.300 1 315 33 33 PRO CD C 50.648 0.300 1 316 33 33 PRO CG C 27.144 0.300 1 317 34 34 VAL H H 9.060 0.030 1 318 34 34 VAL HA H 4.297 0.030 1 319 34 34 VAL HB H 2.068 0.030 1 320 34 34 VAL HG1 H 0.904 0.030 1 321 34 34 VAL HG2 H 0.962 0.030 1 322 34 34 VAL C C 174.750 0.300 1 323 34 34 VAL CA C 61.330 0.300 1 324 34 34 VAL CB C 33.845 0.300 1 325 34 34 VAL CG1 C 21.510 0.300 2 326 34 34 VAL CG2 C 20.818 0.300 2 327 34 34 VAL N N 122.033 0.300 1 328 35 35 THR H H 8.512 0.030 1 329 35 35 THR HA H 4.924 0.030 1 330 35 35 THR HB H 3.860 0.030 1 331 35 35 THR HG2 H 1.213 0.030 1 332 35 35 THR C C 175.771 0.300 1 333 35 35 THR CA C 61.696 0.300 1 334 35 35 THR CB C 69.667 0.300 1 335 35 35 THR CG2 C 22.002 0.300 1 336 35 35 THR N N 122.603 0.300 1 337 36 36 ILE H H 8.432 0.030 1 338 36 36 ILE HA H 4.873 0.030 1 339 36 36 ILE HB H 2.403 0.030 1 340 36 36 ILE HD1 H 1.183 0.030 1 341 36 36 ILE HG12 H 2.198 0.030 2 342 36 36 ILE HG13 H 1.583 0.030 2 343 36 36 ILE HG2 H 1.120 0.030 1 344 36 36 ILE C C 179.121 0.300 1 345 36 36 ILE CA C 60.780 0.300 1 346 36 36 ILE CB C 38.938 0.300 1 347 36 36 ILE CD1 C 14.876 0.300 1 348 36 36 ILE CG1 C 26.835 0.300 1 349 36 36 ILE CG2 C 19.002 0.300 1 350 36 36 ILE N N 121.616 0.300 1 351 37 37 ASP H H 8.439 0.030 1 352 37 37 ASP HA H 4.283 0.030 1 353 37 37 ASP HB2 H 2.769 0.030 2 354 37 37 ASP HB3 H 2.665 0.030 2 355 37 37 ASP C C 176.214 0.300 1 356 37 37 ASP CA C 58.400 0.300 1 357 37 37 ASP CB C 41.198 0.300 1 358 37 37 ASP N N 118.781 0.300 1 359 38 38 CYS H H 7.557 0.030 1 360 38 38 CYS HA H 4.529 0.030 1 361 38 38 CYS HB2 H 3.146 0.030 2 362 38 38 CYS HB3 H 2.720 0.030 2 363 38 38 CYS C C 176.193 0.300 1 364 38 38 CYS CA C 58.123 0.300 1 365 38 38 CYS CB C 31.027 0.300 1 366 38 38 CYS N N 114.567 0.300 1 367 39 39 GLY H H 8.492 0.030 1 368 39 39 GLY HA2 H 3.470 0.030 2 369 39 39 GLY HA3 H 4.205 0.030 2 370 39 39 GLY C C 174.002 0.300 1 371 39 39 GLY CA C 44.831 0.300 1 372 39 39 GLY N N 111.307 0.300 1 373 40 40 HIS H H 8.108 0.030 1 374 40 40 HIS HA H 4.534 0.030 1 375 40 40 HIS HB2 H 3.247 0.030 2 376 40 40 HIS HB3 H 2.855 0.030 2 377 40 40 HIS HD2 H 7.287 0.030 1 378 40 40 HIS HE1 H 7.861 0.030 1 379 40 40 HIS C C 172.521 0.300 1 380 40 40 HIS CA C 59.984 0.300 1 381 40 40 HIS CB C 31.854 0.300 1 382 40 40 HIS CD2 C 118.802 0.300 1 383 40 40 HIS CE1 C 137.786 0.300 1 384 40 40 HIS N N 121.770 0.300 1 385 41 41 ASN H H 7.948 0.030 1 386 41 41 ASN HA H 5.721 0.030 1 387 41 41 ASN HB2 H 2.465 0.030 2 388 41 41 ASN HB3 H 2.169 0.030 2 389 41 41 ASN HD21 H 7.395 0.030 2 390 41 41 ASN HD22 H 6.770 0.030 2 391 41 41 ASN C C 173.447 0.300 1 392 41 41 ASN CA C 51.809 0.300 1 393 41 41 ASN CB C 42.639 0.300 1 394 41 41 ASN N N 117.055 0.300 1 395 41 41 ASN ND2 N 113.488 0.300 1 396 42 42 PHE H H 8.445 0.030 1 397 42 42 PHE HA H 5.195 0.030 1 398 42 42 PHE HB2 H 3.314 0.030 2 399 42 42 PHE HB3 H 2.485 0.030 2 400 42 42 PHE HD1 H 7.235 0.030 1 401 42 42 PHE HD2 H 7.235 0.030 1 402 42 42 PHE HE1 H 7.278 0.030 1 403 42 42 PHE HE2 H 7.278 0.030 1 404 42 42 PHE HZ H 7.604 0.030 1 405 42 42 PHE C C 174.639 0.300 1 406 42 42 PHE CA C 55.624 0.300 1 407 42 42 PHE CB C 45.587 0.300 1 408 42 42 PHE CD1 C 132.218 0.300 1 409 42 42 PHE CD2 C 132.218 0.300 1 410 42 42 PHE CE1 C 130.247 0.300 1 411 42 42 PHE CE2 C 130.247 0.300 1 412 42 42 PHE CZ C 129.884 0.300 1 413 42 42 PHE N N 115.701 0.300 1 414 43 43 CYS H H 8.974 0.030 1 415 43 43 CYS HA H 4.652 0.030 1 416 43 43 CYS HB2 H 3.480 0.030 2 417 43 43 CYS HB3 H 3.263 0.030 2 418 43 43 CYS C C 176.563 0.300 1 419 43 43 CYS CA C 58.745 0.300 1 420 43 43 CYS CB C 31.996 0.300 1 421 43 43 CYS N N 121.821 0.300 1 422 44 44 LEU H H 8.350 0.030 1 423 44 44 LEU HA H 4.067 0.030 1 424 44 44 LEU HB2 H 1.824 0.030 1 425 44 44 LEU HB3 H 1.824 0.030 1 426 44 44 LEU HD1 H 0.926 0.030 1 427 44 44 LEU HD2 H 0.911 0.030 1 428 44 44 LEU HG H 1.549 0.030 1 429 44 44 LEU C C 179.905 0.300 1 430 44 44 LEU CA C 58.353 0.300 1 431 44 44 LEU CB C 41.810 0.300 1 432 44 44 LEU CD1 C 25.601 0.300 2 433 44 44 LEU CD2 C 23.317 0.300 2 434 44 44 LEU CG C 27.123 0.300 1 435 44 44 LEU N N 122.305 0.300 1 436 45 45 LYS H H 8.632 0.030 1 437 45 45 LYS HA H 4.033 0.030 1 438 45 45 LYS HB2 H 2.078 0.030 2 439 45 45 LYS HB3 H 1.968 0.030 2 440 45 45 LYS HD2 H 1.724 0.030 1 441 45 45 LYS HD3 H 1.724 0.030 1 442 45 45 LYS HE2 H 3.015 0.030 2 443 45 45 LYS HE3 H 3.083 0.030 2 444 45 45 LYS HG2 H 1.399 0.030 2 445 45 45 LYS HG3 H 1.609 0.030 2 446 45 45 LYS C C 178.773 0.300 1 447 45 45 LYS CA C 59.769 0.300 1 448 45 45 LYS CB C 31.758 0.300 1 449 45 45 LYS CD C 29.168 0.300 1 450 45 45 LYS CE C 42.277 0.300 1 451 45 45 LYS CG C 24.752 0.300 1 452 45 45 LYS N N 120.634 0.300 1 453 46 46 CYS H H 8.363 0.030 1 454 46 46 CYS HA H 3.974 0.030 1 455 46 46 CYS HB2 H 3.072 0.030 2 456 46 46 CYS HB3 H 2.837 0.030 2 457 46 46 CYS C C 178.197 0.300 1 458 46 46 CYS CA C 64.975 0.300 1 459 46 46 CYS CB C 29.216 0.300 1 460 47 47 ILE H H 8.029 0.030 1 461 47 47 ILE HA H 3.662 0.030 1 462 47 47 ILE HB H 1.735 0.030 1 463 47 47 ILE HD1 H 0.447 0.030 1 464 47 47 ILE HG12 H 1.249 0.030 2 465 47 47 ILE HG13 H 1.037 0.030 2 466 47 47 ILE HG2 H 0.749 0.030 1 467 47 47 ILE C C 177.860 0.300 1 468 47 47 ILE CA C 62.068 0.300 1 469 47 47 ILE CB C 37.664 0.300 1 470 47 47 ILE CD1 C 12.801 0.300 1 471 47 47 ILE CG1 C 28.479 0.300 1 472 47 47 ILE CG2 C 17.777 0.300 1 473 47 47 ILE N N 118.205 0.300 1 474 48 48 THR H H 8.017 0.030 1 475 48 48 THR HA H 3.913 0.030 1 476 48 48 THR HB H 4.283 0.030 1 477 48 48 THR HG2 H 1.241 0.030 1 478 48 48 THR C C 175.738 0.300 1 479 48 48 THR CA C 65.691 0.300 1 480 48 48 THR CB C 68.967 0.300 1 481 48 48 THR CG2 C 21.285 0.300 1 482 48 48 THR N N 115.831 0.300 1 483 49 49 GLN H H 7.589 0.030 1 484 49 49 GLN HA H 4.159 0.030 1 485 49 49 GLN HB2 H 2.109 0.030 2 486 49 49 GLN HB3 H 2.172 0.030 2 487 49 49 GLN HE21 H 7.432 0.030 2 488 49 49 GLN HE22 H 6.821 0.030 2 489 49 49 GLN HG2 H 2.482 0.030 2 490 49 49 GLN HG3 H 2.351 0.030 2 491 49 49 GLN C C 177.448 0.300 1 492 49 49 GLN CA C 57.538 0.300 1 493 49 49 GLN CB C 28.935 0.300 1 494 49 49 GLN CG C 33.932 0.300 1 495 49 49 GLN N N 119.677 0.300 1 496 49 49 GLN NE2 N 111.855 0.300 1 497 50 50 ILE H H 7.655 0.030 1 498 50 50 ILE HA H 3.887 0.030 1 499 50 50 ILE HB H 1.712 0.030 1 500 50 50 ILE HD1 H 0.583 0.030 1 501 50 50 ILE HG12 H 1.489 0.030 2 502 50 50 ILE HG13 H 1.092 0.030 2 503 50 50 ILE HG2 H 0.708 0.030 1 504 50 50 ILE C C 177.412 0.300 1 505 50 50 ILE CA C 62.968 0.300 1 506 50 50 ILE CB C 37.993 0.300 1 507 50 50 ILE CD1 C 13.234 0.300 1 508 50 50 ILE CG1 C 28.240 0.300 1 509 50 50 ILE CG2 C 17.500 0.300 1 510 50 50 ILE N N 119.344 0.300 1 511 51 51 GLY H H 8.095 0.030 1 512 51 51 GLY HA2 H 3.833 0.030 1 513 51 51 GLY HA3 H 3.833 0.030 1 514 51 51 GLY C C 174.304 0.300 1 515 51 51 GLY CA C 45.647 0.300 1 516 51 51 GLY N N 110.093 0.300 1 517 52 52 GLU H H 8.108 0.030 1 518 52 52 GLU HA H 4.470 0.030 1 519 52 52 GLU HB2 H 2.173 0.030 2 520 52 52 GLU HB3 H 2.028 0.030 2 521 52 52 GLU HG2 H 2.336 0.030 2 522 52 52 GLU HG3 H 2.266 0.030 2 523 52 52 GLU C C 177.721 0.300 1 524 52 52 GLU CA C 56.985 0.300 1 525 52 52 GLU CB C 30.499 0.300 1 526 52 52 GLU CG C 36.530 0.300 1 527 52 52 GLU N N 120.609 0.300 1 528 53 53 THR H H 8.261 0.030 1 529 53 53 THR HA H 4.444 0.030 1 530 53 53 THR HB H 4.373 0.030 1 531 53 53 THR HG2 H 1.239 0.030 1 532 53 53 THR C C 175.247 0.300 1 533 53 53 THR CA C 61.953 0.300 1 534 53 53 THR CB C 69.584 0.300 1 535 53 53 THR CG2 C 21.958 0.300 1 536 53 53 THR N N 112.829 0.300 1 537 54 54 SER H H 8.224 0.030 1 538 54 54 SER HA H 4.702 0.030 1 539 54 54 SER HB2 H 3.725 0.030 1 540 54 54 SER HB3 H 3.725 0.030 1 541 54 54 SER C C 176.022 0.300 1 542 54 54 SER CA C 58.733 0.300 1 543 54 54 SER CB C 63.334 0.300 1 544 54 54 SER N N 116.633 0.300 1 545 55 55 CYS H H 8.532 0.030 1 546 55 55 CYS HA H 4.438 0.030 1 547 55 55 CYS HB2 H 3.025 0.030 1 548 55 55 CYS HB3 H 3.025 0.030 1 549 55 55 CYS C C 175.402 0.300 1 550 55 55 CYS CA C 59.461 0.300 1 551 55 55 CYS CB C 27.259 0.300 1 552 56 56 GLY H H 8.878 0.030 1 553 56 56 GLY HA2 H 4.087 0.030 2 554 56 56 GLY HA3 H 3.711 0.030 2 555 56 56 GLY C C 173.598 0.300 1 556 56 56 GLY CA C 45.685 0.300 1 557 57 57 PHE H H 8.019 0.030 1 558 57 57 PHE HA H 5.136 0.030 1 559 57 57 PHE HB2 H 2.970 0.030 2 560 57 57 PHE HB3 H 2.879 0.030 2 561 57 57 PHE HD1 H 7.076 0.030 1 562 57 57 PHE HD2 H 7.076 0.030 1 563 57 57 PHE HE1 H 7.301 0.030 1 564 57 57 PHE HE2 H 7.301 0.030 1 565 57 57 PHE HZ H 7.305 0.030 1 566 57 57 PHE C C 174.649 0.300 1 567 57 57 PHE CA C 56.931 0.300 1 568 57 57 PHE CB C 41.769 0.300 1 569 57 57 PHE CD1 C 131.797 0.300 1 570 57 57 PHE CD2 C 131.797 0.300 1 571 57 57 PHE CE1 C 131.172 0.300 1 572 57 57 PHE CE2 C 131.172 0.300 1 573 57 57 PHE CZ C 131.118 0.300 1 574 57 57 PHE N N 119.843 0.300 1 575 58 58 PHE H H 8.904 0.030 1 576 58 58 PHE HA H 4.772 0.030 1 577 58 58 PHE HB2 H 2.927 0.030 2 578 58 58 PHE HB3 H 3.033 0.030 2 579 58 58 PHE HD1 H 7.003 0.030 1 580 58 58 PHE HD2 H 7.003 0.030 1 581 58 58 PHE HE1 H 6.980 0.030 1 582 58 58 PHE HE2 H 6.980 0.030 1 583 58 58 PHE HZ H 6.798 0.030 1 584 58 58 PHE CA C 56.768 0.300 1 585 58 58 PHE CB C 41.180 0.300 1 586 58 58 PHE CD1 C 132.000 0.300 1 587 58 58 PHE CD2 C 132.000 0.300 1 588 58 58 PHE CE1 C 130.471 0.300 1 589 58 58 PHE CE2 C 130.471 0.300 1 590 58 58 PHE CZ C 129.105 0.300 1 591 58 58 PHE N N 120.093 0.300 1 592 59 59 LYS H H 8.136 0.030 1 593 59 59 LYS HA H 4.576 0.030 1 594 59 59 LYS HB2 H 1.507 0.030 2 595 59 59 LYS HB3 H 1.397 0.030 2 596 59 59 LYS HD2 H 1.570 0.030 1 597 59 59 LYS HD3 H 1.570 0.030 1 598 59 59 LYS HE2 H 2.907 0.030 1 599 59 59 LYS HE3 H 2.907 0.030 1 600 59 59 LYS HG2 H 1.156 0.030 2 601 59 59 LYS HG3 H 1.277 0.030 2 602 59 59 LYS C C 174.972 0.300 1 603 59 59 LYS CA C 54.232 0.300 1 604 59 59 LYS CB C 33.500 0.300 1 605 59 59 LYS CD C 29.198 0.300 1 606 59 59 LYS CE C 42.020 0.300 1 607 59 59 LYS CG C 24.927 0.300 1 608 60 60 CYS H H 8.532 0.030 1 609 60 60 CYS HA H 4.218 0.030 1 610 60 60 CYS HB2 H 3.229 0.030 2 611 60 60 CYS HB3 H 3.117 0.030 2 612 60 60 CYS C C 176.474 0.300 1 613 60 60 CYS CA C 57.107 0.300 1 614 60 60 CYS CB C 31.282 0.300 1 615 60 60 CYS N N 127.539 0.300 1 616 61 61 PRO HA H 4.408 0.030 1 617 61 61 PRO HB2 H 2.330 0.030 2 618 61 61 PRO HB3 H 1.933 0.030 2 619 61 61 PRO HD2 H 3.766 0.030 2 620 61 61 PRO HD3 H 3.875 0.030 2 621 61 61 PRO HG2 H 1.849 0.030 2 622 61 61 PRO HG3 H 1.741 0.030 2 623 61 61 PRO C C 177.030 0.300 1 624 61 61 PRO CA C 64.168 0.300 1 625 61 61 PRO CB C 32.257 0.300 1 626 61 61 PRO CD C 50.663 0.300 1 627 61 61 PRO CG C 27.220 0.300 1 628 62 62 LEU H H 9.012 0.030 1 629 62 62 LEU HA H 4.406 0.030 1 630 62 62 LEU HB2 H 1.088 0.030 1 631 62 62 LEU HB3 H 1.088 0.030 1 632 62 62 LEU HD1 H 0.596 0.030 1 633 62 62 LEU HD2 H 0.711 0.030 1 634 62 62 LEU HG H 1.483 0.030 1 635 62 62 LEU C C 178.341 0.300 1 636 62 62 LEU CA C 56.607 0.300 1 637 62 62 LEU CB C 42.251 0.300 1 638 62 62 LEU CD1 C 25.132 0.300 2 639 62 62 LEU CD2 C 22.728 0.300 2 640 62 62 LEU CG C 27.495 0.300 1 641 62 62 LEU N N 121.375 0.300 1 642 63 63 CYS H H 8.744 0.030 1 643 63 63 CYS HA H 4.742 0.030 1 644 63 63 CYS HB2 H 2.977 0.030 2 645 63 63 CYS HB3 H 3.226 0.030 2 646 63 63 CYS C C 175.678 0.300 1 647 63 63 CYS CA C 57.058 0.300 1 648 63 63 CYS CB C 31.200 0.300 1 649 64 64 LYS H H 8.168 0.030 1 650 64 64 LYS HA H 4.089 0.030 1 651 64 64 LYS HB2 H 1.938 0.030 2 652 64 64 LYS HB3 H 2.085 0.030 2 653 64 64 LYS HD2 H 1.660 0.030 2 654 64 64 LYS HD3 H 1.581 0.030 2 655 64 64 LYS HE2 H 2.965 0.030 1 656 64 64 LYS HE3 H 2.965 0.030 1 657 64 64 LYS HG2 H 1.288 0.030 2 658 64 64 LYS HG3 H 1.360 0.030 2 659 64 64 LYS C C 172.792 0.300 1 660 64 64 LYS CA C 57.532 0.300 1 661 64 64 LYS CB C 29.954 0.300 1 662 64 64 LYS CD C 28.899 0.300 1 663 64 64 LYS CE C 42.383 0.300 1 664 64 64 LYS CG C 25.041 0.300 1 665 64 64 LYS N N 117.415 0.300 1 666 65 65 THR H H 7.709 0.030 1 667 65 65 THR HA H 4.247 0.030 1 668 65 65 THR HB H 4.063 0.030 1 669 65 65 THR HG2 H 1.201 0.030 1 670 65 65 THR C C 174.036 0.300 1 671 65 65 THR CA C 62.838 0.300 1 672 65 65 THR CB C 69.504 0.300 1 673 65 65 THR CG2 C 21.242 0.300 1 674 65 65 THR N N 115.104 0.300 1 675 66 66 SER H H 8.879 0.030 1 676 66 66 SER HA H 4.533 0.030 1 677 66 66 SER HB2 H 3.952 0.030 1 678 66 66 SER HB3 H 3.952 0.030 1 679 66 66 SER CA C 58.504 0.300 1 680 66 66 SER CB C 63.832 0.300 1 681 66 66 SER N N 123.272 0.300 1 682 67 67 VAL H H 8.400 0.030 1 683 67 67 VAL HA H 4.421 0.030 1 684 67 67 VAL HB H 1.925 0.030 1 685 67 67 VAL HG1 H 0.665 0.030 1 686 67 67 VAL HG2 H 0.971 0.030 1 687 67 67 VAL C C 174.841 0.300 1 688 67 67 VAL CA C 60.607 0.300 1 689 67 67 VAL CB C 34.047 0.300 1 690 67 67 VAL CG1 C 20.032 0.300 2 691 67 67 VAL CG2 C 21.798 0.300 2 692 68 68 ARG H H 8.396 0.030 1 693 68 68 ARG HA H 4.124 0.030 1 694 68 68 ARG HB2 H 1.723 0.030 2 695 68 68 ARG HB3 H 1.685 0.030 2 696 68 68 ARG HD2 H 3.089 0.030 2 697 68 68 ARG HD3 H 3.134 0.030 2 698 68 68 ARG HG2 H 1.531 0.030 2 699 68 68 ARG HG3 H 1.432 0.030 2 700 68 68 ARG C C 176.751 0.300 1 701 68 68 ARG CA C 56.062 0.300 1 702 68 68 ARG CB C 30.970 0.300 1 703 68 68 ARG CD C 43.328 0.300 1 704 68 68 ARG CG C 27.340 0.300 1 705 68 68 ARG N N 123.251 0.300 1 706 69 69 LYS H H 8.288 0.030 1 707 69 69 LYS HA H 4.208 0.030 1 708 69 69 LYS HB2 H 1.747 0.030 2 709 69 69 LYS HB3 H 1.622 0.030 2 710 69 69 LYS HD2 H 1.606 0.030 1 711 69 69 LYS HD3 H 1.606 0.030 1 712 69 69 LYS HE2 H 2.884 0.030 1 713 69 69 LYS HE3 H 2.884 0.030 1 714 69 69 LYS HG2 H 1.354 0.030 2 715 69 69 LYS HG3 H 1.332 0.030 2 716 69 69 LYS C C 176.171 0.300 1 717 69 69 LYS CA C 57.062 0.300 1 718 69 69 LYS CB C 33.000 0.300 1 719 69 69 LYS CD C 29.341 0.300 1 720 69 69 LYS CE C 42.030 0.300 1 721 69 69 LYS CG C 25.100 0.300 1 722 69 69 LYS N N 123.015 0.300 1 723 70 70 ASN H H 8.390 0.030 1 724 70 70 ASN HA H 4.642 0.030 1 725 70 70 ASN HB2 H 2.769 0.030 1 726 70 70 ASN HB3 H 2.769 0.030 1 727 70 70 ASN HD21 H 7.583 0.030 2 728 70 70 ASN HD22 H 6.885 0.030 2 729 70 70 ASN C C 174.673 0.300 1 730 70 70 ASN CA C 53.239 0.300 1 731 70 70 ASN CB C 38.693 0.300 1 732 70 70 ASN N N 118.921 0.300 1 733 70 70 ASN ND2 N 112.450 0.300 1 734 71 71 ALA H H 8.059 0.030 1 735 71 71 ALA HA H 4.357 0.030 1 736 71 71 ALA HB H 1.377 0.030 1 737 71 71 ALA C C 177.204 0.300 1 738 71 71 ALA CA C 52.367 0.300 1 739 71 71 ALA CB C 19.398 0.300 1 740 71 71 ALA N N 123.839 0.300 1 741 72 72 ILE H H 7.994 0.030 1 742 72 72 ILE HA H 4.156 0.030 1 743 72 72 ILE HB H 1.878 0.030 1 744 72 72 ILE HD1 H 0.846 0.030 1 745 72 72 ILE HG12 H 1.489 0.030 2 746 72 72 ILE HG13 H 1.168 0.030 2 747 72 72 ILE HG2 H 0.898 0.030 1 748 72 72 ILE C C 175.225 0.300 1 749 72 72 ILE CA C 61.377 0.300 1 750 72 72 ILE CB C 38.529 0.300 1 751 72 72 ILE CD1 C 13.052 0.300 1 752 72 72 ILE CG1 C 27.155 0.300 1 753 72 72 ILE CG2 C 17.700 0.300 1 754 72 72 ILE N N 120.170 0.300 1 755 73 73 ARG H H 7.932 0.030 1 756 73 73 ARG HA H 4.206 0.030 1 757 73 73 ARG HB2 H 1.833 0.030 2 758 73 73 ARG HB3 H 1.710 0.030 2 759 73 73 ARG HD2 H 3.176 0.030 1 760 73 73 ARG HD3 H 3.176 0.030 1 761 73 73 ARG HG2 H 1.561 0.030 1 762 73 73 ARG HG3 H 1.561 0.030 1 763 73 73 ARG C C 180.571 0.300 1 764 73 73 ARG CA C 57.285 0.300 1 765 73 73 ARG CB C 31.723 0.300 1 766 73 73 ARG CD C 43.500 0.300 1 767 73 73 ARG CG C 27.077 0.300 1 768 73 73 ARG N N 129.890 0.300 1 stop_ save_