data_11161 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the Zinc finger, C3HC4 type (RING finger) domain Tripartite motif protein 30 ; _BMRB_accession_number 11161 _BMRB_flat_file_name bmr11161.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 Yoneyama M. . . 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" 463 "13C chemical shifts" 347 "15N chemical shifts" 81 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 Tripartite motif protein 30 ; _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 Yoneyama M. . . 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 30' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RING-type, residues 6-85' $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, residues 6-85' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 85 _Mol_residue_sequence ; GSSGSSGMASSVLEMIKEEV TCPICLELLKEPVSADCNHS FCRACITLNYESNRNTDGKG NCPVCRVPYPFGNLKPNLHV 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 SER 12 VAL 13 LEU 14 GLU 15 MET 16 ILE 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 LYS 31 GLU 32 PRO 33 VAL 34 SER 35 ALA 36 ASP 37 CYS 38 ASN 39 HIS 40 SER 41 PHE 42 CYS 43 ARG 44 ALA 45 CYS 46 ILE 47 THR 48 LEU 49 ASN 50 TYR 51 GLU 52 SER 53 ASN 54 ARG 55 ASN 56 THR 57 ASP 58 GLY 59 LYS 60 GLY 61 ASN 62 CYS 63 PRO 64 VAL 65 CYS 66 ARG 67 VAL 68 PRO 69 TYR 70 PRO 71 PHE 72 GLY 73 ASN 74 LEU 75 LYS 76 PRO 77 ASN 78 LEU 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 2015-01-31 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2ECW "Solution Structure Of The Zinc Finger, C3hc4 Type (Ring Finger) Domain Tripartite Motif Protein 30" 100.00 85 100.00 100.00 6.83e-54 DBJ BAE22032 "unnamed protein product [Mus musculus]" 91.76 270 98.72 100.00 1.01e-48 DBJ BAE23387 "unnamed protein product [Mus musculus]" 91.76 496 98.72 100.00 5.35e-48 DBJ BAE23595 "unnamed protein product [Mus musculus]" 91.76 263 98.72 100.00 4.64e-48 GB AAA40073 "rpt-1r [Mus musculus]" 91.76 353 98.72 100.00 1.13e-50 GB AAG53468 "tripartite motif protein TRIM30 isoform alpha [Mus musculus]" 91.76 496 98.72 100.00 5.35e-48 GB AAG53469 "tripartite motif protein TRIM30 isoform beta [Mus musculus]" 91.76 151 98.72 100.00 9.74e-49 GB AAH05447 "Tripartite motif-containing 30 [Mus musculus]" 91.76 496 100.00 100.00 7.37e-48 GB EDL16723 "mCG8601, isoform CRA_a [Mus musculus]" 91.76 162 98.72 100.00 1.35e-48 REF NP_033125 "tripartite motif-containing protein 30A [Mus musculus]" 91.76 496 98.72 100.00 5.35e-48 REF XP_006507534 "PREDICTED: tripartite motif-containing protein 30A isoform X1 [Mus musculus]" 91.76 496 98.72 100.00 5.35e-48 SP P15533 "RecName: Full=Tripartite motif-containing protein 30A; AltName: Full=Down regulatory protein of interleukin-2 receptor; AltName" 91.76 496 98.72 100.00 5.35e-48 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 'house mouse' 10090 Eukaryota Metazoa Mus musculus 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 . P060417-23 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.13mM {Protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 50uM Zncl2+1mM {IDA;} 10% D2O, 90% H2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.13 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 50 uM '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 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-type, residues 6-85' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 6 6 SER HA H 4.488 0.030 1 2 6 6 SER HB2 H 3.865 0.030 2 3 6 6 SER HB3 H 3.913 0.030 2 4 6 6 SER C C 175.111 0.300 1 5 6 6 SER CA C 58.723 0.300 1 6 6 6 SER CB C 63.637 0.300 1 7 7 7 GLY H H 8.418 0.030 1 8 7 7 GLY HA2 H 3.975 0.030 2 9 7 7 GLY HA3 H 4.032 0.030 2 10 7 7 GLY C C 174.185 0.300 1 11 7 7 GLY CA C 45.414 0.300 1 12 7 7 GLY N N 110.682 0.300 1 13 8 8 MET H H 8.160 0.030 1 14 8 8 MET HA H 4.484 0.030 1 15 8 8 MET HB2 H 2.014 0.030 2 16 8 8 MET HB3 H 2.057 0.030 2 17 8 8 MET HE H 2.089 0.030 1 18 8 8 MET HG2 H 2.507 0.030 2 19 8 8 MET HG3 H 2.591 0.030 2 20 8 8 MET C C 176.129 0.300 1 21 8 8 MET CA C 55.413 0.300 1 22 8 8 MET CB C 33.016 0.300 1 23 8 8 MET CE C 17.040 0.300 1 24 8 8 MET CG C 31.997 0.300 1 25 8 8 MET N N 119.909 0.300 1 26 9 9 ALA H H 8.403 0.030 1 27 9 9 ALA HA H 4.340 0.030 1 28 9 9 ALA HB H 1.417 0.030 1 29 9 9 ALA C C 177.863 0.300 1 30 9 9 ALA CA C 52.706 0.300 1 31 9 9 ALA CB C 19.191 0.300 1 32 9 9 ALA N N 125.482 0.300 1 33 10 10 SER H H 8.312 0.030 1 34 10 10 SER HA H 4.435 0.030 1 35 10 10 SER HB2 H 3.869 0.030 2 36 10 10 SER HB3 H 3.908 0.030 2 37 10 10 SER C C 174.760 0.300 1 38 10 10 SER CA C 58.547 0.300 1 39 10 10 SER CB C 63.790 0.300 1 40 10 10 SER N N 115.079 0.300 1 41 11 11 SER H H 8.312 0.030 1 42 11 11 SER HA H 4.492 0.030 1 43 11 11 SER HB2 H 3.878 0.030 1 44 11 11 SER HB3 H 3.878 0.030 1 45 11 11 SER C C 174.768 0.300 1 46 11 11 SER CA C 58.512 0.300 1 47 11 11 SER CB C 63.836 0.300 1 48 11 11 SER N N 117.768 0.300 1 49 12 12 VAL H H 8.085 0.030 1 50 12 12 VAL HA H 4.092 0.030 1 51 12 12 VAL HB H 2.106 0.030 1 52 12 12 VAL HG1 H 0.935 0.030 1 53 12 12 VAL HG2 H 0.944 0.030 1 54 12 12 VAL C C 176.329 0.300 1 55 12 12 VAL CA C 62.917 0.300 1 56 12 12 VAL CB C 32.434 0.300 1 57 12 12 VAL CG1 C 21.607 0.300 2 58 12 12 VAL CG2 C 20.678 0.300 2 59 12 12 VAL N N 121.633 0.300 1 60 13 13 LEU H H 8.135 0.030 1 61 13 13 LEU HA H 4.294 0.030 1 62 13 13 LEU HB2 H 1.572 0.030 2 63 13 13 LEU HB3 H 1.637 0.030 2 64 13 13 LEU HD1 H 0.905 0.030 1 65 13 13 LEU HD2 H 0.864 0.030 1 66 13 13 LEU HG H 1.611 0.030 1 67 13 13 LEU C C 177.449 0.300 1 68 13 13 LEU CA C 55.557 0.300 1 69 13 13 LEU CB C 42.288 0.300 1 70 13 13 LEU CD1 C 24.910 0.300 2 71 13 13 LEU CD2 C 23.538 0.300 2 72 13 13 LEU CG C 27.043 0.300 1 73 13 13 LEU N N 124.465 0.300 1 74 14 14 GLU H H 8.193 0.030 1 75 14 14 GLU HA H 4.234 0.030 1 76 14 14 GLU HB2 H 1.937 0.030 2 77 14 14 GLU HB3 H 2.025 0.030 2 78 14 14 GLU HG2 H 2.251 0.030 1 79 14 14 GLU HG3 H 2.251 0.030 1 80 14 14 GLU C C 176.374 0.300 1 81 14 14 GLU CA C 56.733 0.300 1 82 14 14 GLU CB C 30.268 0.300 1 83 14 14 GLU CG C 36.349 0.300 1 84 14 14 GLU N N 121.022 0.300 1 85 15 15 MET H H 8.192 0.030 1 86 15 15 MET HA H 4.429 0.030 1 87 15 15 MET HB2 H 2.020 0.030 2 88 15 15 MET HB3 H 2.064 0.030 2 89 15 15 MET HE H 2.095 0.030 1 90 15 15 MET HG2 H 2.590 0.030 2 91 15 15 MET HG3 H 2.507 0.030 2 92 15 15 MET C C 176.159 0.300 1 93 15 15 MET CA C 55.727 0.300 1 94 15 15 MET CB C 33.047 0.300 1 95 15 15 MET CE C 17.040 0.300 1 96 15 15 MET CG C 31.998 0.300 1 97 15 15 MET N N 121.096 0.300 1 98 16 16 ILE H H 8.147 0.030 1 99 16 16 ILE HA H 4.134 0.030 1 100 16 16 ILE HB H 1.857 0.030 1 101 16 16 ILE HD1 H 0.831 0.030 1 102 16 16 ILE HG12 H 1.468 0.030 2 103 16 16 ILE HG13 H 1.177 0.030 2 104 16 16 ILE HG2 H 0.879 0.030 1 105 16 16 ILE C C 176.219 0.300 1 106 16 16 ILE CA C 61.261 0.300 1 107 16 16 ILE CB C 38.518 0.300 1 108 16 16 ILE CD1 C 12.901 0.300 1 109 16 16 ILE CG1 C 27.321 0.300 1 110 16 16 ILE CG2 C 17.600 0.300 1 111 16 16 ILE N N 122.370 0.300 1 112 17 17 LYS H H 8.307 0.030 1 113 17 17 LYS HA H 4.272 0.030 1 114 17 17 LYS HB2 H 1.749 0.030 2 115 17 17 LYS HB3 H 1.820 0.030 2 116 17 17 LYS HD2 H 1.427 0.030 2 117 17 17 LYS HD3 H 1.379 0.030 2 118 17 17 LYS HE2 H 2.986 0.030 1 119 17 17 LYS HE3 H 2.986 0.030 1 120 17 17 LYS HG2 H 1.663 0.030 1 121 17 17 LYS HG3 H 1.663 0.030 1 122 17 17 LYS C C 176.672 0.300 1 123 17 17 LYS CA C 56.543 0.300 1 124 17 17 LYS CB C 33.071 0.300 1 125 17 17 LYS CD C 24.709 0.300 1 126 17 17 LYS CE C 42.168 0.300 1 127 17 17 LYS CG C 29.105 0.300 1 128 17 17 LYS N N 125.678 0.300 1 129 18 18 GLU H H 8.493 0.030 1 130 18 18 GLU HA H 4.210 0.030 1 131 18 18 GLU HB2 H 1.936 0.030 2 132 18 18 GLU HB3 H 2.027 0.030 2 133 18 18 GLU HG2 H 2.249 0.030 2 134 18 18 GLU HG3 H 2.301 0.030 2 135 18 18 GLU C C 176.611 0.300 1 136 18 18 GLU CA C 57.082 0.300 1 137 18 18 GLU CB C 30.270 0.300 1 138 18 18 GLU CG C 36.384 0.300 1 139 18 18 GLU N N 122.625 0.300 1 140 19 19 GLU H H 8.482 0.030 1 141 19 19 GLU HA H 4.323 0.030 1 142 19 19 GLU HB2 H 1.955 0.030 2 143 19 19 GLU HB3 H 2.052 0.030 2 144 19 19 GLU HG2 H 2.252 0.030 2 145 19 19 GLU HG3 H 2.294 0.030 2 146 19 19 GLU C C 176.349 0.300 1 147 19 19 GLU CA C 56.820 0.300 1 148 19 19 GLU CB C 30.280 0.300 1 149 19 19 GLU CG C 36.384 0.300 1 150 19 19 GLU N N 121.189 0.300 1 151 20 20 VAL H H 8.000 0.030 1 152 20 20 VAL HA H 4.371 0.030 1 153 20 20 VAL HB H 2.249 0.030 1 154 20 20 VAL HG1 H 0.907 0.030 1 155 20 20 VAL HG2 H 0.883 0.030 1 156 20 20 VAL C C 175.288 0.300 1 157 20 20 VAL CA C 61.796 0.300 1 158 20 20 VAL CB C 32.554 0.300 1 159 20 20 VAL CG1 C 21.836 0.300 2 160 20 20 VAL CG2 C 19.799 0.300 2 161 20 20 VAL N N 116.732 0.300 1 162 21 21 THR H H 7.765 0.030 1 163 21 21 THR HA H 4.492 0.030 1 164 21 21 THR HB H 3.763 0.030 1 165 21 21 THR HG2 H 0.934 0.030 1 166 21 21 THR C C 173.583 0.300 1 167 21 21 THR CA C 60.695 0.300 1 168 21 21 THR CB C 71.051 0.300 1 169 21 21 THR CG2 C 21.594 0.300 1 170 21 21 THR N N 115.842 0.300 1 171 22 22 CYS H H 9.000 0.030 1 172 22 22 CYS HA H 4.715 0.030 1 173 22 22 CYS HB2 H 3.154 0.030 2 174 22 22 CYS HB3 H 3.777 0.030 2 175 22 22 CYS C C 176.052 0.300 1 176 22 22 CYS CA C 56.335 0.300 1 177 22 22 CYS CB C 34.066 0.300 1 178 22 22 CYS N N 128.552 0.300 1 179 23 23 PRO HA H 4.545 0.030 1 180 23 23 PRO HB2 H 1.919 0.030 2 181 23 23 PRO HB3 H 2.371 0.030 2 182 23 23 PRO HD2 H 4.125 0.030 2 183 23 23 PRO HD3 H 4.485 0.030 2 184 23 23 PRO HG2 H 2.111 0.030 2 185 23 23 PRO HG3 H 1.882 0.030 2 186 23 23 PRO C C 176.486 0.300 1 187 23 23 PRO CA C 64.081 0.300 1 188 23 23 PRO CB C 32.513 0.300 1 189 23 23 PRO CD C 51.864 0.300 1 190 23 23 PRO CG C 27.771 0.300 1 191 24 24 ILE H H 9.286 0.030 1 192 24 24 ILE HA H 4.079 0.030 1 193 24 24 ILE HB H 2.033 0.030 1 194 24 24 ILE HD1 H 0.615 0.030 1 195 24 24 ILE HG12 H 1.701 0.030 2 196 24 24 ILE HG13 H 0.972 0.030 2 197 24 24 ILE HG2 H 0.989 0.030 1 198 24 24 ILE C C 176.299 0.300 1 199 24 24 ILE CA C 64.260 0.300 1 200 24 24 ILE CB C 38.673 0.300 1 201 24 24 ILE CD1 C 14.056 0.300 1 202 24 24 ILE CG1 C 27.851 0.300 1 203 24 24 ILE CG2 C 16.790 0.300 1 204 24 24 ILE N N 121.472 0.300 1 205 25 25 CYS H H 8.311 0.030 1 206 25 25 CYS HA H 4.718 0.030 1 207 25 25 CYS HB2 H 3.211 0.030 1 208 25 25 CYS HB3 H 3.211 0.030 1 209 25 25 CYS C C 176.096 0.300 1 210 25 25 CYS CA C 59.287 0.300 1 211 25 25 CYS CB C 31.835 0.300 1 212 25 25 CYS N N 118.346 0.300 1 213 26 26 LEU H H 7.947 0.030 1 214 26 26 LEU HA H 4.178 0.030 1 215 26 26 LEU HB2 H 1.651 0.030 2 216 26 26 LEU HB3 H 2.152 0.030 2 217 26 26 LEU HD1 H 0.883 0.030 1 218 26 26 LEU HD2 H 0.821 0.030 1 219 26 26 LEU HG H 1.399 0.030 1 220 26 26 LEU C C 175.942 0.300 1 221 26 26 LEU CA C 56.820 0.300 1 222 26 26 LEU CB C 38.261 0.300 1 223 26 26 LEU CD1 C 25.311 0.300 2 224 26 26 LEU CD2 C 22.761 0.300 2 225 26 26 LEU CG C 27.425 0.300 1 226 26 26 LEU N N 118.202 0.300 1 227 27 27 GLU H H 8.365 0.030 1 228 27 27 GLU HA H 4.650 0.030 1 229 27 27 GLU HB2 H 2.262 0.030 2 230 27 27 GLU HB3 H 2.155 0.030 2 231 27 27 GLU HG2 H 2.218 0.030 2 232 27 27 GLU HG3 H 2.370 0.030 2 233 27 27 GLU C C 175.368 0.300 1 234 27 27 GLU CA C 54.317 0.300 1 235 27 27 GLU CB C 32.165 0.300 1 236 27 27 GLU CG C 36.056 0.300 1 237 27 27 GLU N N 120.459 0.300 1 238 28 28 LEU H H 8.065 0.030 1 239 28 28 LEU HA H 4.214 0.030 1 240 28 28 LEU HB2 H 1.491 0.030 2 241 28 28 LEU HB3 H 1.601 0.030 2 242 28 28 LEU HD1 H 0.934 0.030 1 243 28 28 LEU HD2 H 0.826 0.030 1 244 28 28 LEU HG H 1.735 0.030 1 245 28 28 LEU C C 177.050 0.300 1 246 28 28 LEU CA C 56.079 0.300 1 247 28 28 LEU CB C 42.058 0.300 1 248 28 28 LEU CD1 C 25.149 0.300 2 249 28 28 LEU CD2 C 23.860 0.300 2 250 28 28 LEU CG C 26.914 0.300 1 251 28 28 LEU N N 119.378 0.300 1 252 29 29 LEU H H 7.721 0.030 1 253 29 29 LEU HA H 4.341 0.030 1 254 29 29 LEU HB2 H 0.973 0.030 2 255 29 29 LEU HB3 H 1.663 0.030 2 256 29 29 LEU HD1 H 0.725 0.030 1 257 29 29 LEU HD2 H 0.829 0.030 1 258 29 29 LEU HG H 1.377 0.030 1 259 29 29 LEU C C 177.325 0.300 1 260 29 29 LEU CA C 56.234 0.300 1 261 29 29 LEU CB C 44.080 0.300 1 262 29 29 LEU CD1 C 26.213 0.300 2 263 29 29 LEU CD2 C 23.966 0.300 2 264 29 29 LEU CG C 27.689 0.300 1 265 29 29 LEU N N 120.560 0.300 1 266 30 30 LYS H H 8.804 0.030 1 267 30 30 LYS HA H 4.517 0.030 1 268 30 30 LYS HB2 H 1.968 0.030 2 269 30 30 LYS HB3 H 1.864 0.030 2 270 30 30 LYS HD2 H 1.725 0.030 2 271 30 30 LYS HD3 H 1.824 0.030 2 272 30 30 LYS HE2 H 3.093 0.030 2 273 30 30 LYS HE3 H 3.212 0.030 2 274 30 30 LYS HG2 H 1.476 0.030 2 275 30 30 LYS HG3 H 1.591 0.030 2 276 30 30 LYS C C 176.015 0.300 1 277 30 30 LYS CA C 55.367 0.300 1 278 30 30 LYS CB C 33.557 0.300 1 279 30 30 LYS CD C 28.599 0.300 1 280 30 30 LYS CE C 41.962 0.300 1 281 30 30 LYS CG C 23.866 0.300 1 282 30 30 LYS N N 126.394 0.300 1 283 31 31 GLU H H 9.321 0.030 1 284 31 31 GLU HA H 3.988 0.030 1 285 31 31 GLU HB2 H 2.120 0.030 2 286 31 31 GLU HB3 H 2.346 0.030 2 287 31 31 GLU HG2 H 2.288 0.030 1 288 31 31 GLU HG3 H 2.288 0.030 1 289 31 31 GLU C C 172.166 0.300 1 290 31 31 GLU CA C 56.524 0.300 1 291 31 31 GLU CB C 28.622 0.300 1 292 31 31 GLU CG C 36.922 0.300 1 293 31 31 GLU N N 123.105 0.300 1 294 32 32 PRO HA H 4.687 0.030 1 295 32 32 PRO HB2 H 1.808 0.030 2 296 32 32 PRO HB3 H 1.994 0.030 2 297 32 32 PRO HD2 H 3.766 0.030 2 298 32 32 PRO HD3 H 3.229 0.030 2 299 32 32 PRO HG2 H 1.926 0.030 2 300 32 32 PRO HG3 H 2.203 0.030 2 301 32 32 PRO C C 178.058 0.300 1 302 32 32 PRO CA C 62.228 0.300 1 303 32 32 PRO CB C 32.891 0.300 1 304 32 32 PRO CD C 50.625 0.300 1 305 32 32 PRO CG C 27.555 0.300 1 306 33 33 VAL H H 9.061 0.030 1 307 33 33 VAL HA H 5.004 0.030 1 308 33 33 VAL HB H 1.815 0.030 1 309 33 33 VAL HG1 H 0.784 0.030 1 310 33 33 VAL HG2 H 0.842 0.030 1 311 33 33 VAL C C 174.358 0.300 1 312 33 33 VAL CA C 58.504 0.300 1 313 33 33 VAL CB C 36.053 0.300 1 314 33 33 VAL CG1 C 21.386 0.300 2 315 33 33 VAL CG2 C 20.440 0.300 2 316 33 33 VAL N N 115.965 0.300 1 317 34 34 SER H H 8.871 0.030 1 318 34 34 SER HA H 5.279 0.030 1 319 34 34 SER HB2 H 3.552 0.030 2 320 34 34 SER HB3 H 3.723 0.030 2 321 34 34 SER C C 173.983 0.300 1 322 34 34 SER CA C 56.711 0.300 1 323 34 34 SER CB C 66.519 0.300 1 324 34 34 SER N N 113.146 0.300 1 325 35 35 ALA H H 8.144 0.030 1 326 35 35 ALA HA H 4.866 0.030 1 327 35 35 ALA HB H 1.437 0.030 1 328 35 35 ALA C C 179.537 0.300 1 329 35 35 ALA CA C 50.580 0.300 1 330 35 35 ALA CB C 20.713 0.300 1 331 35 35 ALA N N 124.285 0.300 1 332 36 36 ASP H H 8.031 0.030 1 333 36 36 ASP HA H 4.366 0.030 1 334 36 36 ASP HB2 H 2.873 0.030 2 335 36 36 ASP HB3 H 2.780 0.030 2 336 36 36 ASP C C 175.790 0.300 1 337 36 36 ASP CA C 57.499 0.300 1 338 36 36 ASP CB C 40.384 0.300 1 339 36 36 ASP N N 120.062 0.300 1 340 37 37 CYS H H 7.523 0.030 1 341 37 37 CYS HA H 4.427 0.030 1 342 37 37 CYS HB2 H 2.706 0.030 2 343 37 37 CYS HB3 H 3.119 0.030 2 344 37 37 CYS C C 174.930 0.300 1 345 37 37 CYS CA C 57.842 0.300 1 346 37 37 CYS CB C 30.844 0.300 1 347 37 37 CYS N N 114.736 0.300 1 348 38 38 ASN H H 8.196 0.030 1 349 38 38 ASN HA H 4.209 0.030 1 350 38 38 ASN HB2 H 2.882 0.030 1 351 38 38 ASN HB3 H 2.882 0.030 1 352 38 38 ASN HD21 H 6.759 0.030 2 353 38 38 ASN HD22 H 7.392 0.030 2 354 38 38 ASN C C 174.498 0.300 1 355 38 38 ASN CA C 55.194 0.300 1 356 38 38 ASN CB C 36.778 0.300 1 357 38 38 ASN N N 113.893 0.300 1 358 38 38 ASN ND2 N 112.894 0.300 1 359 39 39 HIS H H 7.658 0.030 1 360 39 39 HIS HA H 4.597 0.030 1 361 39 39 HIS HB2 H 2.763 0.030 2 362 39 39 HIS HB3 H 3.210 0.030 2 363 39 39 HIS HD2 H 7.335 0.030 1 364 39 39 HIS HE1 H 7.849 0.030 1 365 39 39 HIS C C 172.944 0.300 1 366 39 39 HIS CA C 59.569 0.300 1 367 39 39 HIS CB C 31.094 0.300 1 368 39 39 HIS CD2 C 118.775 0.300 1 369 39 39 HIS CE1 C 138.163 0.300 1 370 39 39 HIS N N 120.170 0.300 1 371 40 40 SER H H 7.706 0.030 1 372 40 40 SER HA H 5.103 0.030 1 373 40 40 SER HB2 H 3.393 0.030 1 374 40 40 SER HB3 H 3.393 0.030 1 375 40 40 SER C C 172.070 0.300 1 376 40 40 SER CA C 57.102 0.300 1 377 40 40 SER CB C 65.747 0.300 1 378 40 40 SER N N 115.644 0.300 1 379 41 41 PHE H H 8.527 0.030 1 380 41 41 PHE HA H 5.162 0.030 1 381 41 41 PHE HB2 H 2.535 0.030 2 382 41 41 PHE HB3 H 3.313 0.030 2 383 41 41 PHE HD1 H 6.874 0.030 1 384 41 41 PHE HD2 H 6.874 0.030 1 385 41 41 PHE HE1 H 7.036 0.030 1 386 41 41 PHE HE2 H 7.036 0.030 1 387 41 41 PHE HZ H 7.554 0.030 1 388 41 41 PHE C C 175.510 0.300 1 389 41 41 PHE CA C 53.206 0.300 1 390 41 41 PHE CB C 44.156 0.300 1 391 41 41 PHE CD1 C 132.913 0.300 1 392 41 41 PHE CD2 C 132.913 0.300 1 393 41 41 PHE CE1 C 130.368 0.300 1 394 41 41 PHE CE2 C 130.368 0.300 1 395 41 41 PHE CZ C 130.418 0.300 1 396 41 41 PHE N N 117.710 0.300 1 397 42 42 CYS H H 8.760 0.030 1 398 42 42 CYS HA H 4.244 0.030 1 399 42 42 CYS HB2 H 3.769 0.030 2 400 42 42 CYS HB3 H 3.408 0.030 2 401 42 42 CYS C C 179.148 0.300 1 402 42 42 CYS CA C 60.358 0.300 1 403 42 42 CYS CB C 31.566 0.300 1 404 42 42 CYS N N 124.446 0.300 1 405 43 43 ARG H H 8.511 0.030 1 406 43 43 ARG HA H 3.932 0.030 1 407 43 43 ARG HB2 H 1.882 0.030 2 408 43 43 ARG HB3 H 2.461 0.030 2 409 43 43 ARG HD2 H 3.232 0.030 2 410 43 43 ARG HD3 H 3.144 0.030 2 411 43 43 ARG HE H 7.306 0.030 1 412 43 43 ARG HG2 H 1.559 0.030 2 413 43 43 ARG HG3 H 1.442 0.030 2 414 43 43 ARG C C 180.199 0.300 1 415 43 43 ARG CA C 61.015 0.300 1 416 43 43 ARG CB C 29.499 0.300 1 417 43 43 ARG CD C 43.237 0.300 1 418 43 43 ARG CG C 27.001 0.300 1 419 43 43 ARG N N 125.774 0.300 1 420 43 43 ARG NE N 82.880 0.300 1 421 44 44 ALA H H 9.527 0.030 1 422 44 44 ALA HA H 4.166 0.030 1 423 44 44 ALA HB H 1.531 0.030 1 424 44 44 ALA C C 180.313 0.300 1 425 44 44 ALA CA C 55.507 0.300 1 426 44 44 ALA CB C 18.571 0.300 1 427 44 44 ALA N N 121.348 0.300 1 428 45 45 CYS H H 6.974 0.030 1 429 45 45 CYS HA H 4.069 0.030 1 430 45 45 CYS HB2 H 2.948 0.030 2 431 45 45 CYS HB3 H 3.068 0.030 2 432 45 45 CYS C C 178.489 0.300 1 433 45 45 CYS CA C 63.835 0.300 1 434 45 45 CYS CB C 30.023 0.300 1 435 45 45 CYS N N 116.645 0.300 1 436 46 46 ILE H H 8.302 0.030 1 437 46 46 ILE HA H 3.987 0.030 1 438 46 46 ILE HB H 1.228 0.030 1 439 46 46 ILE HD1 H 0.615 0.030 1 440 46 46 ILE HG12 H 1.479 0.030 2 441 46 46 ILE HG13 H 0.731 0.030 2 442 46 46 ILE HG2 H 1.029 0.030 1 443 46 46 ILE C C 175.942 0.300 1 444 46 46 ILE CA C 59.745 0.300 1 445 46 46 ILE CB C 38.214 0.300 1 446 46 46 ILE CD1 C 13.847 0.300 1 447 46 46 ILE CG1 C 28.913 0.300 1 448 46 46 ILE CG2 C 20.211 0.300 1 449 46 46 ILE N N 119.589 0.300 1 450 47 47 THR H H 7.840 0.030 1 451 47 47 THR HA H 4.128 0.030 1 452 47 47 THR HB H 4.314 0.030 1 453 47 47 THR HG2 H 1.319 0.030 1 454 47 47 THR C C 175.500 0.300 1 455 47 47 THR CA C 68.065 0.300 1 456 47 47 THR CB C 68.601 0.300 1 457 47 47 THR CG2 C 20.959 0.300 1 458 47 47 THR N N 120.612 0.300 1 459 48 48 LEU H H 7.429 0.030 1 460 48 48 LEU HA H 4.226 0.030 1 461 48 48 LEU HB2 H 1.774 0.030 1 462 48 48 LEU HB3 H 1.774 0.030 1 463 48 48 LEU HD1 H 1.673 0.030 1 464 48 48 LEU HD2 H 0.931 0.030 1 465 48 48 LEU HG H 1.668 0.030 1 466 48 48 LEU C C 179.760 0.300 1 467 48 48 LEU CA C 57.824 0.300 1 468 48 48 LEU CB C 41.796 0.300 1 469 48 48 LEU CD1 C 27.104 0.300 2 470 48 48 LEU CD2 C 24.244 0.300 2 471 48 48 LEU CG C 27.141 0.300 1 472 48 48 LEU N N 121.106 0.300 1 473 49 49 ASN H H 8.089 0.030 1 474 49 49 ASN HA H 4.226 0.030 1 475 49 49 ASN HB2 H 2.697 0.030 2 476 49 49 ASN HB3 H 2.838 0.030 2 477 49 49 ASN HD21 H 8.045 0.030 2 478 49 49 ASN HD22 H 7.282 0.030 2 479 49 49 ASN C C 176.907 0.300 1 480 49 49 ASN CA C 58.053 0.300 1 481 49 49 ASN CB C 40.994 0.300 1 482 49 49 ASN N N 119.750 0.300 1 483 49 49 ASN ND2 N 112.582 0.300 1 484 50 50 TYR H H 8.838 0.030 1 485 50 50 TYR HA H 4.146 0.030 1 486 50 50 TYR HB2 H 2.944 0.030 2 487 50 50 TYR HB3 H 3.602 0.030 2 488 50 50 TYR HD1 H 6.709 0.030 1 489 50 50 TYR HD2 H 6.709 0.030 1 490 50 50 TYR HE1 H 6.425 0.030 1 491 50 50 TYR HE2 H 6.425 0.030 1 492 50 50 TYR C C 177.269 0.300 1 493 50 50 TYR CA C 61.048 0.300 1 494 50 50 TYR CB C 38.582 0.300 1 495 50 50 TYR CD1 C 133.094 0.300 1 496 50 50 TYR CD2 C 133.094 0.300 1 497 50 50 TYR CE1 C 117.685 0.300 1 498 50 50 TYR CE2 C 117.685 0.300 1 499 50 50 TYR N N 120.736 0.300 1 500 51 51 GLU H H 7.843 0.030 1 501 51 51 GLU HA H 3.668 0.030 1 502 51 51 GLU HB2 H 2.031 0.030 2 503 51 51 GLU HB3 H 2.074 0.030 2 504 51 51 GLU HG2 H 2.518 0.030 2 505 51 51 GLU HG3 H 2.273 0.030 2 506 51 51 GLU C C 178.394 0.300 1 507 51 51 GLU CA C 58.686 0.300 1 508 51 51 GLU CB C 29.637 0.300 1 509 51 51 GLU CG C 36.480 0.300 1 510 51 51 GLU N N 115.463 0.300 1 511 52 52 SER H H 7.552 0.030 1 512 52 52 SER HA H 4.455 0.030 1 513 52 52 SER HB2 H 3.909 0.030 1 514 52 52 SER HB3 H 3.909 0.030 1 515 52 52 SER C C 173.848 0.300 1 516 52 52 SER CA C 59.189 0.300 1 517 52 52 SER CB C 64.141 0.300 1 518 52 52 SER N N 111.141 0.300 1 519 53 53 ASN H H 7.546 0.030 1 520 53 53 ASN HA H 4.863 0.030 1 521 53 53 ASN HB2 H 2.589 0.030 2 522 53 53 ASN HB3 H 2.749 0.030 2 523 53 53 ASN HD21 H 6.984 0.030 2 524 53 53 ASN HD22 H 7.689 0.030 2 525 53 53 ASN C C 173.264 0.300 1 526 53 53 ASN CA C 52.836 0.300 1 527 53 53 ASN CB C 40.330 0.300 1 528 53 53 ASN N N 120.836 0.300 1 529 53 53 ASN ND2 N 115.343 0.300 1 530 54 54 ARG H H 7.914 0.030 1 531 54 54 ARG HA H 4.241 0.030 1 532 54 54 ARG HB2 H 1.444 0.030 2 533 54 54 ARG HB3 H 1.494 0.030 2 534 54 54 ARG HD2 H 2.861 0.030 2 535 54 54 ARG HD3 H 2.775 0.030 2 536 54 54 ARG HG2 H 1.338 0.030 1 537 54 54 ARG HG3 H 1.338 0.030 1 538 54 54 ARG C C 176.082 0.300 1 539 54 54 ARG CA C 56.079 0.300 1 540 54 54 ARG CB C 30.755 0.300 1 541 54 54 ARG CD C 43.395 0.300 1 542 54 54 ARG CG C 26.199 0.300 1 543 54 54 ARG N N 119.718 0.300 1 544 55 55 ASN H H 8.532 0.030 1 545 55 55 ASN HA H 4.934 0.030 1 546 55 55 ASN HB2 H 2.854 0.030 1 547 55 55 ASN HB3 H 2.854 0.030 1 548 55 55 ASN HD21 H 7.271 0.030 2 549 55 55 ASN HD22 H 7.071 0.030 2 550 55 55 ASN C C 176.818 0.300 1 551 55 55 ASN CA C 52.272 0.300 1 552 55 55 ASN CB C 40.255 0.300 1 553 55 55 ASN N N 120.835 0.300 1 554 55 55 ASN ND2 N 114.068 0.300 1 555 56 56 THR HA H 4.159 0.030 1 556 56 56 THR HB H 4.245 0.030 1 557 56 56 THR HG2 H 1.246 0.030 1 558 56 56 THR C C 174.958 0.300 1 559 56 56 THR CA C 63.905 0.300 1 560 56 56 THR CB C 69.196 0.300 1 561 56 56 THR CG2 C 21.812 0.300 1 562 57 57 ASP H H 8.188 0.030 1 563 57 57 ASP HA H 4.557 0.030 1 564 57 57 ASP HB2 H 2.719 0.030 2 565 57 57 ASP HB3 H 2.840 0.030 2 566 57 57 ASP C C 176.820 0.300 1 567 57 57 ASP CA C 54.211 0.300 1 568 57 57 ASP CB C 40.586 0.300 1 569 57 57 ASP N N 120.228 0.300 1 570 58 58 GLY H H 8.228 0.030 1 571 58 58 GLY HA2 H 3.802 0.030 2 572 58 58 GLY HA3 H 4.257 0.030 2 573 58 58 GLY C C 175.055 0.300 1 574 58 58 GLY CA C 45.631 0.300 1 575 58 58 GLY N N 107.373 0.300 1 576 59 59 LYS H H 8.012 0.030 1 577 59 59 LYS HA H 4.787 0.030 1 578 59 59 LYS HB2 H 1.617 0.030 2 579 59 59 LYS HB3 H 1.823 0.030 2 580 59 59 LYS HD2 H 1.541 0.030 2 581 59 59 LYS HD3 H 1.446 0.030 2 582 59 59 LYS HE2 H 2.891 0.030 1 583 59 59 LYS HE3 H 2.891 0.030 1 584 59 59 LYS HG2 H 1.027 0.030 2 585 59 59 LYS HG3 H 1.387 0.030 2 586 59 59 LYS C C 176.995 0.300 1 587 59 59 LYS CA C 56.361 0.300 1 588 59 59 LYS CB C 33.714 0.300 1 589 59 59 LYS CD C 29.575 0.300 1 590 59 59 LYS CE C 42.269 0.300 1 591 59 59 LYS CG C 25.876 0.300 1 592 59 59 LYS N N 121.324 0.300 1 593 60 60 GLY H H 8.059 0.030 1 594 60 60 GLY HA2 H 3.140 0.030 2 595 60 60 GLY HA3 H 4.544 0.030 2 596 60 60 GLY C C 172.481 0.300 1 597 60 60 GLY CA C 43.746 0.300 1 598 60 60 GLY N N 108.353 0.300 1 599 61 61 ASN H H 8.223 0.030 1 600 61 61 ASN HA H 4.970 0.030 1 601 61 61 ASN HB2 H 2.154 0.030 2 602 61 61 ASN HB3 H 2.443 0.030 2 603 61 61 ASN HD21 H 6.972 0.030 2 604 61 61 ASN HD22 H 7.252 0.030 2 605 61 61 ASN C C 174.847 0.300 1 606 61 61 ASN CA C 52.763 0.300 1 607 61 61 ASN CB C 41.013 0.300 1 608 61 61 ASN N N 115.544 0.300 1 609 61 61 ASN ND2 N 111.783 0.300 1 610 62 62 CYS H H 8.499 0.030 1 611 62 62 CYS HA H 4.462 0.030 1 612 62 62 CYS HB2 H 3.275 0.030 2 613 62 62 CYS HB3 H 3.342 0.030 2 614 62 62 CYS C C 176.140 0.300 1 615 62 62 CYS CA C 57.854 0.300 1 616 62 62 CYS CB C 30.954 0.300 1 617 62 62 CYS N N 128.259 0.300 1 618 63 63 PRO HA H 4.420 0.030 1 619 63 63 PRO HB2 H 2.289 0.030 2 620 63 63 PRO HB3 H 1.907 0.030 2 621 63 63 PRO HD2 H 3.628 0.030 2 622 63 63 PRO HD3 H 3.864 0.030 2 623 63 63 PRO HG2 H 1.618 0.030 1 624 63 63 PRO HG3 H 1.618 0.030 1 625 63 63 PRO C C 176.756 0.300 1 626 63 63 PRO CA C 64.575 0.300 1 627 63 63 PRO CB C 31.917 0.300 1 628 63 63 PRO CD C 50.904 0.300 1 629 63 63 PRO CG C 27.371 0.300 1 630 64 64 VAL H H 9.449 0.030 1 631 64 64 VAL HA H 3.859 0.030 1 632 64 64 VAL HB H 1.373 0.030 1 633 64 64 VAL HG1 H 0.866 0.030 1 634 64 64 VAL HG2 H 0.360 0.030 1 635 64 64 VAL C C 177.034 0.300 1 636 64 64 VAL CA C 65.068 0.300 1 637 64 64 VAL CB C 32.942 0.300 1 638 64 64 VAL CG1 C 21.813 0.300 2 639 64 64 VAL CG2 C 19.721 0.300 2 640 64 64 VAL N N 121.891 0.300 1 641 65 65 CYS H H 8.372 0.030 1 642 65 65 CYS HA H 4.993 0.030 1 643 65 65 CYS HB2 H 2.801 0.030 2 644 65 65 CYS HB3 H 3.468 0.030 2 645 65 65 CYS C C 175.793 0.300 1 646 65 65 CYS CA C 58.617 0.300 1 647 65 65 CYS CB C 32.976 0.300 1 648 65 65 CYS N N 118.256 0.300 1 649 66 66 ARG H H 8.282 0.030 1 650 66 66 ARG HA H 4.062 0.030 1 651 66 66 ARG HB2 H 2.085 0.030 2 652 66 66 ARG HB3 H 2.234 0.030 2 653 66 66 ARG HD2 H 3.137 0.030 2 654 66 66 ARG HD3 H 3.179 0.030 2 655 66 66 ARG HG2 H 1.534 0.030 2 656 66 66 ARG HG3 H 1.561 0.030 2 657 66 66 ARG C C 174.882 0.300 1 658 66 66 ARG CA C 58.265 0.300 1 659 66 66 ARG CB C 26.974 0.300 1 660 66 66 ARG CD C 42.662 0.300 1 661 66 66 ARG CG C 27.343 0.300 1 662 66 66 ARG N N 117.329 0.300 1 663 67 67 VAL H H 8.150 0.030 1 664 67 67 VAL HA H 4.393 0.030 1 665 67 67 VAL HB H 2.283 0.030 1 666 67 67 VAL HG1 H 1.206 0.030 1 667 67 67 VAL HG2 H 1.197 0.030 1 668 67 67 VAL C C 176.010 0.300 1 669 67 67 VAL CA C 62.284 0.300 1 670 67 67 VAL CB C 32.743 0.300 1 671 67 67 VAL CG1 C 23.961 0.300 2 672 67 67 VAL CG2 C 20.726 0.300 2 673 67 67 VAL N N 124.809 0.300 1 674 68 68 PRO HA H 5.562 0.030 1 675 68 68 PRO HB2 H 1.764 0.030 2 676 68 68 PRO HB3 H 2.186 0.030 2 677 68 68 PRO HD2 H 3.757 0.030 2 678 68 68 PRO HD3 H 4.131 0.030 2 679 68 68 PRO HG2 H 1.997 0.030 2 680 68 68 PRO HG3 H 2.106 0.030 2 681 68 68 PRO CA C 62.671 0.300 1 682 68 68 PRO CB C 33.071 0.300 1 683 68 68 PRO CD C 52.034 0.300 1 684 68 68 PRO CG C 27.787 0.300 1 685 69 69 TYR H H 8.633 0.030 1 686 69 69 TYR HA H 5.380 0.030 1 687 69 69 TYR HB2 H 3.448 0.030 2 688 69 69 TYR HB3 H 2.975 0.030 2 689 69 69 TYR HD1 H 6.811 0.030 1 690 69 69 TYR HD2 H 6.811 0.030 1 691 69 69 TYR HE1 H 6.415 0.030 1 692 69 69 TYR HE2 H 6.415 0.030 1 693 69 69 TYR CA C 54.042 0.300 1 694 69 69 TYR CB C 39.666 0.300 1 695 69 69 TYR CD1 C 134.202 0.300 1 696 69 69 TYR CD2 C 134.202 0.300 1 697 69 69 TYR CE1 C 115.888 0.300 1 698 69 69 TYR CE2 C 115.888 0.300 1 699 69 69 TYR N N 119.435 0.300 1 700 70 70 PRO HA H 4.801 0.030 1 701 70 70 PRO HB2 H 1.945 0.030 2 702 70 70 PRO HB3 H 2.281 0.030 2 703 70 70 PRO HD2 H 3.967 0.030 2 704 70 70 PRO HD3 H 3.866 0.030 2 705 70 70 PRO HG2 H 1.966 0.030 2 706 70 70 PRO HG3 H 2.231 0.030 2 707 70 70 PRO C C 176.475 0.300 1 708 70 70 PRO CA C 61.021 0.300 1 709 70 70 PRO CB C 30.844 0.300 1 710 70 70 PRO CD C 51.006 0.300 1 711 70 70 PRO CG C 28.207 0.300 1 712 71 71 PHE H H 8.912 0.030 1 713 71 71 PHE HA H 3.953 0.030 1 714 71 71 PHE HB2 H 2.440 0.030 2 715 71 71 PHE HB3 H 2.608 0.030 2 716 71 71 PHE HD1 H 6.787 0.030 1 717 71 71 PHE HD2 H 6.787 0.030 1 718 71 71 PHE HE1 H 7.122 0.030 1 719 71 71 PHE HE2 H 7.122 0.030 1 720 71 71 PHE HZ H 7.280 0.030 1 721 71 71 PHE C C 177.645 0.300 1 722 71 71 PHE CA C 62.034 0.300 1 723 71 71 PHE CB C 39.144 0.300 1 724 71 71 PHE CD1 C 132.023 0.300 1 725 71 71 PHE CD2 C 132.023 0.300 1 726 71 71 PHE CE1 C 130.701 0.300 1 727 71 71 PHE CE2 C 130.701 0.300 1 728 71 71 PHE CZ C 129.394 0.300 1 729 71 71 PHE N N 131.063 0.300 1 730 72 72 GLY H H 8.950 0.030 1 731 72 72 GLY HA2 H 3.825 0.030 2 732 72 72 GLY HA3 H 3.919 0.030 2 733 72 72 GLY C C 173.971 0.300 1 734 72 72 GLY CA C 45.638 0.300 1 735 72 72 GLY N N 103.739 0.300 1 736 73 73 ASN H H 7.704 0.030 1 737 73 73 ASN HA H 4.866 0.030 1 738 73 73 ASN HB2 H 2.741 0.030 2 739 73 73 ASN HB3 H 3.167 0.030 2 740 73 73 ASN HD21 H 6.914 0.030 2 741 73 73 ASN HD22 H 8.291 0.030 2 742 73 73 ASN C C 175.690 0.300 1 743 73 73 ASN CA C 52.237 0.300 1 744 73 73 ASN CB C 39.262 0.300 1 745 73 73 ASN N N 117.358 0.300 1 746 73 73 ASN ND2 N 112.305 0.300 1 747 74 74 LEU H H 7.063 0.030 1 748 74 74 LEU HA H 4.307 0.030 1 749 74 74 LEU HB2 H 1.511 0.030 2 750 74 74 LEU HB3 H 0.824 0.030 2 751 74 74 LEU HD1 H 0.382 0.030 1 752 74 74 LEU HD2 H 0.513 0.030 1 753 74 74 LEU HG H 1.616 0.030 1 754 74 74 LEU C C 177.219 0.300 1 755 74 74 LEU CA C 55.826 0.300 1 756 74 74 LEU CB C 42.306 0.300 1 757 74 74 LEU CD1 C 26.702 0.300 2 758 74 74 LEU CD2 C 22.699 0.300 2 759 74 74 LEU CG C 26.520 0.300 1 760 74 74 LEU N N 120.797 0.300 1 761 75 75 LYS H H 8.524 0.030 1 762 75 75 LYS HA H 4.935 0.030 1 763 75 75 LYS HB2 H 1.774 0.030 1 764 75 75 LYS HB3 H 1.774 0.030 1 765 75 75 LYS HD2 H 1.664 0.030 1 766 75 75 LYS HD3 H 1.664 0.030 1 767 75 75 LYS HE2 H 2.987 0.030 1 768 75 75 LYS HE3 H 2.987 0.030 1 769 75 75 LYS HG2 H 1.450 0.030 1 770 75 75 LYS HG3 H 1.450 0.030 1 771 75 75 LYS C C 173.744 0.300 1 772 75 75 LYS CA C 53.021 0.300 1 773 75 75 LYS CB C 34.048 0.300 1 774 75 75 LYS CD C 29.136 0.300 1 775 75 75 LYS CE C 42.166 0.300 1 776 75 75 LYS CG C 23.700 0.300 1 777 75 75 LYS N N 123.426 0.300 1 778 76 76 PRO HA H 4.699 0.030 1 779 76 76 PRO HB2 H 1.844 0.030 2 780 76 76 PRO HB3 H 2.307 0.030 2 781 76 76 PRO HD2 H 3.840 0.030 2 782 76 76 PRO HD3 H 3.683 0.030 2 783 76 76 PRO HG2 H 2.082 0.030 2 784 76 76 PRO HG3 H 1.941 0.030 2 785 76 76 PRO C C 176.336 0.300 1 786 76 76 PRO CA C 62.931 0.300 1 787 76 76 PRO CB C 32.165 0.300 1 788 76 76 PRO CD C 50.736 0.300 1 789 76 76 PRO CG C 27.558 0.300 1 790 77 77 ASN H H 8.130 0.030 1 791 77 77 ASN HA H 4.700 0.030 1 792 77 77 ASN HB2 H 2.469 0.030 2 793 77 77 ASN HB3 H 2.660 0.030 2 794 77 77 ASN HD21 H 6.885 0.030 2 795 77 77 ASN HD22 H 7.321 0.030 2 796 77 77 ASN C C 174.894 0.300 1 797 77 77 ASN CA C 52.377 0.300 1 798 77 77 ASN CB C 38.436 0.300 1 799 77 77 ASN N N 121.491 0.300 1 800 77 77 ASN ND2 N 110.527 0.300 1 801 78 78 LEU H H 8.286 0.030 1 802 78 78 LEU HA H 4.278 0.030 1 803 78 78 LEU HB2 H 1.510 0.030 1 804 78 78 LEU HB3 H 1.510 0.030 1 805 78 78 LEU HD1 H 0.887 0.030 1 806 78 78 LEU HD2 H 0.807 0.030 1 807 78 78 LEU HG H 1.519 0.030 1 808 78 78 LEU C C 177.070 0.300 1 809 78 78 LEU CA C 55.092 0.300 1 810 78 78 LEU CB C 42.090 0.300 1 811 78 78 LEU CD1 C 24.932 0.300 2 812 78 78 LEU CD2 C 23.249 0.300 2 813 78 78 LEU CG C 27.071 0.300 1 814 78 78 LEU N N 123.264 0.300 1 815 79 79 HIS H H 8.348 0.030 1 816 79 79 HIS HA H 4.604 0.030 1 817 79 79 HIS HB2 H 3.068 0.030 2 818 79 79 HIS HB3 H 3.134 0.030 2 819 79 79 HIS HD2 H 7.036 0.030 1 820 79 79 HIS HE1 H 8.022 0.030 1 821 79 79 HIS C C 175.164 0.300 1 822 79 79 HIS CA C 56.326 0.300 1 823 79 79 HIS CB C 30.161 0.300 1 824 79 79 HIS CD2 C 119.947 0.300 1 825 79 79 HIS CE1 C 137.837 0.300 1 826 79 79 HIS N N 120.161 0.300 1 827 80 80 VAL H H 7.811 0.030 1 828 80 80 VAL HA H 4.026 0.030 1 829 80 80 VAL HB H 1.975 0.030 1 830 80 80 VAL HG1 H 0.876 0.030 1 831 80 80 VAL HG2 H 0.849 0.030 1 832 80 80 VAL C C 175.459 0.300 1 833 80 80 VAL CA C 62.180 0.300 1 834 80 80 VAL CB C 32.639 0.300 1 835 80 80 VAL CG1 C 21.294 0.300 2 836 80 80 VAL CG2 C 20.524 0.300 2 837 80 80 VAL N N 121.024 0.300 1 838 81 81 ALA H H 8.287 0.030 1 839 81 81 ALA HA H 4.266 0.030 1 840 81 81 ALA HB H 1.364 0.030 1 841 81 81 ALA C C 177.139 0.300 1 842 81 81 ALA CA C 52.520 0.300 1 843 81 81 ALA CB C 19.411 0.300 1 844 81 81 ALA N N 126.925 0.300 1 845 82 82 ASN H H 8.310 0.030 1 846 82 82 ASN HA H 4.683 0.030 1 847 82 82 ASN HB2 H 2.712 0.030 2 848 82 82 ASN HB3 H 2.784 0.030 2 849 82 82 ASN HD21 H 6.890 0.030 2 850 82 82 ASN HD22 H 7.597 0.030 2 851 82 82 ASN C C 174.892 0.300 1 852 82 82 ASN CA C 53.259 0.300 1 853 82 82 ASN CB C 38.953 0.300 1 854 82 82 ASN N N 117.874 0.300 1 855 82 82 ASN ND2 N 112.883 0.300 1 856 83 83 ILE H H 8.073 0.030 1 857 83 83 ILE HA H 4.179 0.030 1 858 83 83 ILE HB H 1.849 0.030 1 859 83 83 ILE HD1 H 0.828 0.030 1 860 83 83 ILE HG12 H 1.446 0.030 2 861 83 83 ILE HG13 H 1.141 0.030 2 862 83 83 ILE HG2 H 0.875 0.030 1 863 83 83 ILE C C 175.961 0.300 1 864 83 83 ILE CA C 61.199 0.300 1 865 83 83 ILE CB C 38.666 0.300 1 866 83 83 ILE CD1 C 12.925 0.300 1 867 83 83 ILE CG1 C 27.197 0.300 1 868 83 83 ILE CG2 C 17.600 0.300 1 869 83 83 ILE N N 121.398 0.300 1 870 84 84 VAL H H 8.213 0.030 1 871 84 84 VAL HA H 4.152 0.030 1 872 84 84 VAL HB H 2.076 0.030 1 873 84 84 VAL HG1 H 0.928 0.030 1 874 84 84 VAL HG2 H 0.917 0.030 1 875 84 84 VAL C C 175.137 0.300 1 876 84 84 VAL CA C 62.248 0.300 1 877 84 84 VAL CB C 32.970 0.300 1 878 84 84 VAL CG1 C 21.273 0.300 2 879 84 84 VAL CG2 C 20.481 0.300 2 880 84 84 VAL N N 124.898 0.300 1 881 85 85 GLU H H 8.028 0.030 1 882 85 85 GLU HA H 4.122 0.030 1 883 85 85 GLU HB2 H 2.007 0.030 2 884 85 85 GLU HB3 H 1.882 0.030 2 885 85 85 GLU HG2 H 2.177 0.030 1 886 85 85 GLU HG3 H 2.177 0.030 1 887 85 85 GLU C C 180.934 0.300 1 888 85 85 GLU CA C 58.089 0.300 1 889 85 85 GLU CB C 31.336 0.300 1 890 85 85 GLU CG C 36.631 0.300 1 891 85 85 GLU N N 130.243 0.300 1 stop_ save_