data_11342 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the RING domain of the human RING-box protein 2 ; _BMRB_accession_number 11342 _BMRB_flat_file_name bmr11342.str _Entry_type original _Submission_date 2010-08-10 _Accession_date 2010-08-10 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Miyamoto K. . . 2 Tomizawa T. . . 3 Koshiba S. . . 4 Watanabe S. . . 5 Harada T. . . 6 Kigawa T. . . 7 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" 452 "13C chemical shifts" 329 "15N chemical shifts" 91 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-19 original author . stop_ _Original_release_date 2011-08-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of the RING domain of the human RING-box protein 2' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Miyamoto K. . . 2 Tomizawa T. . . 3 Koshiba S. . . 4 Watanabe S. . . 5 Harada T. . . 6 Kigawa T. . . 7 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RING-box protein 2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RING domain' $entity_1 'ZINC ION no.1' $ZN 'ZINC ION no.2' $ZN 'ZINC ION no.3' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'RING domain' _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 81 _Mol_residue_sequence ; GSSGSSGMWSWDVECDTCAI CRVQVMDACLRCQAENKQED CVVVWGECNHSFHNCCMSLW VKQNNRCPLCQQDWVVQRIG K ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 MET 9 TRP 10 SER 11 TRP 12 ASP 13 VAL 14 GLU 15 CYS 16 ASP 17 THR 18 CYS 19 ALA 20 ILE 21 CYS 22 ARG 23 VAL 24 GLN 25 VAL 26 MET 27 ASP 28 ALA 29 CYS 30 LEU 31 ARG 32 CYS 33 GLN 34 ALA 35 GLU 36 ASN 37 LYS 38 GLN 39 GLU 40 ASP 41 CYS 42 VAL 43 VAL 44 VAL 45 TRP 46 GLY 47 GLU 48 CYS 49 ASN 50 HIS 51 SER 52 PHE 53 HIS 54 ASN 55 CYS 56 CYS 57 MET 58 SER 59 LEU 60 TRP 61 VAL 62 LYS 63 GLN 64 ASN 65 ASN 66 ARG 67 CYS 68 PRO 69 LEU 70 CYS 71 GLN 72 GLN 73 ASP 74 TRP 75 VAL 76 VAL 77 GLN 78 ARG 79 ILE 80 GLY 81 LYS 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 2ECL "Solution Structure Of The Ring Domain Of The Human Ring-Box Protein 2" 100.00 81 100.00 100.00 4.37e-50 DBJ BAB22666 "unnamed protein product [Mus musculus]" 92.59 113 98.67 98.67 7.78e-46 DBJ BAE26843 "unnamed protein product [Mus musculus]" 92.59 113 98.67 98.67 7.78e-46 DBJ BAG34921 "unnamed protein product [Homo sapiens]" 92.59 113 98.67 98.67 5.62e-46 DBJ BAJ20342 "ring finger protein 7 [synthetic construct]" 92.59 113 98.67 98.67 5.50e-46 EMBL CAF94886 "unnamed protein product [Tetraodon nigroviridis]" 92.59 110 98.67 98.67 3.22e-46 EMBL CAG32193 "hypothetical protein RCJMB04_19l23 [Gallus gallus]" 92.59 114 98.67 98.67 7.03e-46 EMBL CDQ67670 "unnamed protein product [Oncorhynchus mykiss]" 92.59 172 98.67 98.67 6.91e-47 EMBL CDQ72674 "unnamed protein product [Oncorhynchus mykiss]" 92.59 110 98.67 98.67 4.18e-46 GB AAD25961 "zinc RING finger protein SAG [Mus musculus]" 92.59 113 98.67 98.67 7.78e-46 GB AAD25962 "zinc RING finger protein SAG [Homo sapiens]" 92.59 113 98.67 98.67 5.50e-46 GB AAD30147 "RING finger protein [Homo sapiens]" 92.59 113 98.67 98.67 4.57e-46 GB AAD55984 "ring finger protein CKBBP1 [Homo sapiens]" 92.59 113 98.67 98.67 5.50e-46 GB AAH05966 "Ring finger protein 7 [Homo sapiens]" 92.59 113 98.67 98.67 5.50e-46 REF NP_001012516 "RING-box protein 2 [Danio rerio]" 92.59 113 98.67 98.67 7.78e-46 REF NP_001026478 "RING-box protein 2 [Gallus gallus]" 92.59 114 98.67 98.67 7.03e-46 REF NP_001069188 "RING-box protein 2 [Bos taurus]" 92.59 113 98.67 98.67 6.76e-46 REF NP_001100318 "RING-box protein 2 [Rattus norvegicus]" 92.59 113 98.67 98.67 7.78e-46 REF NP_001134211 "RING-box protein 2 [Salmo salar]" 92.59 110 98.67 98.67 4.18e-46 SP Q9UBF6 "RecName: Full=RING-box protein 2; Short=Rbx2; AltName: Full=CKII beta-binding protein 1; Short=CKBBP1; AltName: Full=RING finge" 92.59 113 98.67 98.67 5.50e-46 SP Q9WTZ1 "RecName: Full=RING-box protein 2; Short=Rbx2; AltName: Full=RING finger protein 7; AltName: Full=Sensitive to apoptosis gene pr" 92.59 113 98.67 98.67 7.78e-46 TPG DAA33088 "TPA: ring finger protein 7 [Bos taurus]" 92.59 113 98.67 98.67 6.76e-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_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P060828-18 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.11mM RING domain {U-13C,15N;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM {ZNCl2;} 1.0mM {IDA;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.11 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' ZnCl2 0.05 mM 'natural abundance' IDA 1.0 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 1.3 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 0.9820 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 Bruker _Model 'AVANCE II' _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-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 $TOPSPIN $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'RING domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 6 6 SER HA H 4.441 0.030 1 2 6 6 SER HB2 H 3.878 0.030 1 3 6 6 SER HB3 H 3.878 0.030 1 4 6 6 SER C C 175.005 0.300 1 5 6 6 SER CA C 58.711 0.300 1 6 6 6 SER CB C 63.730 0.300 1 7 7 7 GLY H H 8.327 0.030 1 8 7 7 GLY HA2 H 3.893 0.030 1 9 7 7 GLY HA3 H 3.893 0.030 1 10 7 7 GLY C C 174.008 0.300 1 11 7 7 GLY CA C 45.360 0.300 1 12 7 7 GLY N N 110.531 0.300 1 13 8 8 MET H H 8.042 0.030 1 14 8 8 MET HA H 4.336 0.030 1 15 8 8 MET HB2 H 1.804 0.030 2 16 8 8 MET HB3 H 1.866 0.030 2 17 8 8 MET HE H 1.991 0.030 1 18 8 8 MET HG2 H 2.358 0.030 2 19 8 8 MET HG3 H 2.316 0.030 2 20 8 8 MET C C 175.719 0.300 1 21 8 8 MET CA C 55.582 0.300 1 22 8 8 MET CB C 32.786 0.300 1 23 8 8 MET CE C 16.946 0.300 1 24 8 8 MET CG C 31.799 0.300 1 25 8 8 MET N N 119.655 0.300 1 26 9 9 TRP H H 8.143 0.030 1 27 9 9 TRP HA H 4.601 0.030 1 28 9 9 TRP HB2 H 3.068 0.030 1 29 9 9 TRP HB3 H 3.068 0.030 1 30 9 9 TRP HD1 H 7.012 0.030 1 31 9 9 TRP HE1 H 9.846 0.030 1 32 9 9 TRP HE3 H 7.544 0.030 1 33 9 9 TRP HH2 H 7.118 0.030 1 34 9 9 TRP HZ2 H 7.381 0.030 1 35 9 9 TRP HZ3 H 7.060 0.030 1 36 9 9 TRP C C 175.894 0.300 1 37 9 9 TRP CA C 57.104 0.300 1 38 9 9 TRP CB C 29.650 0.300 1 39 9 9 TRP CD1 C 126.973 0.300 1 40 9 9 TRP CE3 C 120.894 0.300 1 41 9 9 TRP CH2 C 124.509 0.300 1 42 9 9 TRP CZ2 C 114.549 0.300 1 43 9 9 TRP CZ3 C 121.978 0.300 1 44 9 9 TRP N N 122.168 0.300 1 45 9 9 TRP NE1 N 129.027 0.300 1 46 10 10 SER H H 7.784 0.030 1 47 10 10 SER HA H 4.324 0.030 1 48 10 10 SER HB2 H 3.590 0.030 2 49 10 10 SER HB3 H 3.638 0.030 2 50 10 10 SER C C 173.745 0.300 1 51 10 10 SER CA C 58.032 0.300 1 52 10 10 SER CB C 63.886 0.300 1 53 10 10 SER N N 117.396 0.300 1 54 11 11 TRP H H 7.791 0.030 1 55 11 11 TRP HA H 4.579 0.030 1 56 11 11 TRP HB2 H 3.109 0.030 2 57 11 11 TRP HB3 H 3.279 0.030 2 58 11 11 TRP HD1 H 7.126 0.030 1 59 11 11 TRP HE1 H 10.032 0.030 1 60 11 11 TRP HE3 H 7.476 0.030 1 61 11 11 TRP HH2 H 7.114 0.030 1 62 11 11 TRP HZ2 H 7.379 0.030 1 63 11 11 TRP HZ3 H 7.058 0.030 1 64 11 11 TRP C C 175.605 0.300 1 65 11 11 TRP CA C 57.273 0.300 1 66 11 11 TRP CB C 29.750 0.300 1 67 11 11 TRP CD1 C 127.206 0.300 1 68 11 11 TRP CE3 C 120.597 0.300 1 69 11 11 TRP CH2 C 124.495 0.300 1 70 11 11 TRP CZ2 C 114.654 0.300 1 71 11 11 TRP CZ3 C 121.916 0.300 1 72 11 11 TRP N N 122.282 0.300 1 73 11 11 TRP NE1 N 129.422 0.300 1 74 12 12 ASP H H 8.208 0.030 1 75 12 12 ASP HA H 4.566 0.030 1 76 12 12 ASP HB2 H 2.572 0.030 2 77 12 12 ASP HB3 H 2.509 0.030 2 78 12 12 ASP C C 175.949 0.300 1 79 12 12 ASP CA C 54.396 0.300 1 80 12 12 ASP CB C 40.981 0.300 1 81 12 12 ASP N N 121.001 0.300 1 82 13 13 VAL H H 7.778 0.030 1 83 13 13 VAL HA H 4.126 0.030 1 84 13 13 VAL HB H 2.056 0.030 1 85 13 13 VAL HG1 H 0.886 0.030 1 86 13 13 VAL HG2 H 0.865 0.030 1 87 13 13 VAL C C 176.018 0.300 1 88 13 13 VAL CA C 61.948 0.300 1 89 13 13 VAL CB C 33.078 0.300 1 90 13 13 VAL CG1 C 21.634 0.300 2 91 13 13 VAL CG2 C 20.357 0.300 2 92 13 13 VAL N N 118.749 0.300 1 93 14 14 GLU H H 8.438 0.030 1 94 14 14 GLU HA H 4.316 0.030 1 95 14 14 GLU HB2 H 2.098 0.030 2 96 14 14 GLU HB3 H 1.952 0.030 2 97 14 14 GLU HG2 H 2.269 0.030 2 98 14 14 GLU HG3 H 2.311 0.030 2 99 14 14 GLU C C 176.896 0.300 1 100 14 14 GLU CA C 56.669 0.300 1 101 14 14 GLU CB C 30.230 0.300 1 102 14 14 GLU CG C 36.428 0.300 1 103 14 14 GLU N N 123.530 0.300 1 104 15 15 CYS H H 8.314 0.030 1 105 15 15 CYS HA H 4.327 0.030 1 106 15 15 CYS HB2 H 2.832 0.030 1 107 15 15 CYS HB3 H 2.832 0.030 1 108 15 15 CYS C C 174.184 0.300 1 109 15 15 CYS CA C 59.090 0.300 1 110 15 15 CYS CB C 27.973 0.300 1 111 15 15 CYS N N 119.114 0.300 1 112 16 16 ASP H H 8.317 0.030 1 113 16 16 ASP HA H 4.566 0.030 1 114 16 16 ASP HB2 H 2.742 0.030 2 115 16 16 ASP HB3 H 2.696 0.030 2 116 16 16 ASP C C 176.248 0.300 1 117 16 16 ASP CA C 54.601 0.300 1 118 16 16 ASP CB C 40.716 0.300 1 119 16 16 ASP N N 121.016 0.300 1 120 17 17 THR H H 8.066 0.030 1 121 17 17 THR HA H 4.177 0.030 1 122 17 17 THR HB H 3.754 0.030 1 123 17 17 THR HG2 H 0.890 0.030 1 124 17 17 THR C C 173.239 0.300 1 125 17 17 THR CA C 62.022 0.300 1 126 17 17 THR CB C 70.835 0.300 1 127 17 17 THR CG2 C 21.700 0.300 1 128 17 17 THR N N 115.390 0.300 1 129 18 18 CYS H H 8.412 0.030 1 130 18 18 CYS HA H 4.217 0.030 1 131 18 18 CYS HB2 H 2.260 0.030 2 132 18 18 CYS HB3 H 3.720 0.030 2 133 18 18 CYS C C 177.133 0.300 1 134 18 18 CYS CA C 59.259 0.300 1 135 18 18 CYS CB C 30.839 0.300 1 136 18 18 CYS N N 127.684 0.300 1 137 19 19 ALA H H 9.431 0.030 1 138 19 19 ALA HA H 4.045 0.030 1 139 19 19 ALA HB H 1.395 0.030 1 140 19 19 ALA C C 177.571 0.300 1 141 19 19 ALA CA C 54.217 0.300 1 142 19 19 ALA CB C 19.597 0.300 1 143 19 19 ALA N N 132.770 0.300 1 144 20 20 ILE H H 8.012 0.030 1 145 20 20 ILE HA H 3.743 0.030 1 146 20 20 ILE HB H 1.783 0.030 1 147 20 20 ILE HD1 H 0.158 0.030 1 148 20 20 ILE HG12 H 1.117 0.030 2 149 20 20 ILE HG13 H 0.338 0.030 2 150 20 20 ILE HG2 H 1.001 0.030 1 151 20 20 ILE C C 176.483 0.300 1 152 20 20 ILE CA C 64.443 0.300 1 153 20 20 ILE CB C 38.500 0.300 1 154 20 20 ILE CD1 C 13.492 0.300 1 155 20 20 ILE CG1 C 28.238 0.300 1 156 20 20 ILE CG2 C 17.072 0.300 1 157 20 20 ILE N N 115.776 0.300 1 158 21 21 CYS H H 7.528 0.030 1 159 21 21 CYS HA H 4.993 0.030 1 160 21 21 CYS HB2 H 3.111 0.030 2 161 21 21 CYS HB3 H 3.288 0.030 2 162 21 21 CYS C C 175.678 0.300 1 163 21 21 CYS CA C 58.582 0.300 1 164 21 21 CYS CB C 33.106 0.300 1 165 21 21 CYS N N 116.320 0.300 1 166 22 22 ARG H H 8.599 0.030 1 167 22 22 ARG HA H 3.754 0.030 1 168 22 22 ARG HB2 H 2.048 0.030 2 169 22 22 ARG HB3 H 2.206 0.030 2 170 22 22 ARG HD2 H 3.031 0.030 1 171 22 22 ARG HD3 H 3.031 0.030 1 172 22 22 ARG HG2 H 1.375 0.030 2 173 22 22 ARG HG3 H 1.502 0.030 2 174 22 22 ARG C C 174.660 0.300 1 175 22 22 ARG CA C 58.241 0.300 1 176 22 22 ARG CB C 26.269 0.300 1 177 22 22 ARG CD C 43.006 0.300 1 178 22 22 ARG CG C 27.593 0.300 1 179 22 22 ARG N N 117.031 0.300 1 180 23 23 VAL H H 8.515 0.030 1 181 23 23 VAL HA H 4.314 0.030 1 182 23 23 VAL HB H 2.509 0.030 1 183 23 23 VAL HG1 H 1.209 0.030 1 184 23 23 VAL HG2 H 1.039 0.030 1 185 23 23 VAL C C 176.160 0.300 1 186 23 23 VAL CA C 62.003 0.300 1 187 23 23 VAL CB C 33.267 0.300 1 188 23 23 VAL CG1 C 20.790 0.300 2 189 23 23 VAL CG2 C 22.932 0.300 2 190 23 23 VAL N N 123.265 0.300 1 191 24 24 GLN H H 8.622 0.030 1 192 24 24 GLN HA H 4.213 0.030 1 193 24 24 GLN HB2 H 2.065 0.030 2 194 24 24 GLN HB3 H 2.151 0.030 2 195 24 24 GLN HE21 H 6.780 0.030 2 196 24 24 GLN HE22 H 7.588 0.030 2 197 24 24 GLN HG2 H 2.473 0.030 2 198 24 24 GLN HG3 H 2.371 0.030 2 199 24 24 GLN C C 177.495 0.300 1 200 24 24 GLN CA C 57.962 0.300 1 201 24 24 GLN CB C 29.031 0.300 1 202 24 24 GLN CG C 35.028 0.300 1 203 24 24 GLN N N 125.907 0.300 1 204 24 24 GLN NE2 N 112.857 0.300 1 205 25 25 VAL H H 8.169 0.030 1 206 25 25 VAL HA H 3.068 0.030 1 207 25 25 VAL HB H 1.542 0.030 1 208 25 25 VAL HG1 H 0.460 0.030 1 209 25 25 VAL HG2 H 0.485 0.030 1 210 25 25 VAL C C 174.177 0.300 1 211 25 25 VAL CA C 64.750 0.300 1 212 25 25 VAL CB C 31.767 0.300 1 213 25 25 VAL CG1 C 20.762 0.300 2 214 25 25 VAL CG2 C 21.242 0.300 2 215 25 25 VAL N N 120.983 0.300 1 216 26 26 MET H H 7.667 0.030 1 217 26 26 MET HA H 4.379 0.030 1 218 26 26 MET HB2 H 1.974 0.030 2 219 26 26 MET HB3 H 2.144 0.030 2 220 26 26 MET HE H 2.167 0.030 1 221 26 26 MET HG2 H 2.491 0.030 2 222 26 26 MET HG3 H 2.697 0.030 2 223 26 26 MET C C 176.850 0.300 1 224 26 26 MET CA C 55.352 0.300 1 225 26 26 MET CB C 31.274 0.300 1 226 26 26 MET CE C 17.133 0.300 1 227 26 26 MET CG C 32.849 0.300 1 228 26 26 MET N N 112.455 0.300 1 229 27 27 ASP H H 7.614 0.030 1 230 27 27 ASP HA H 4.849 0.030 1 231 27 27 ASP HB2 H 2.684 0.030 1 232 27 27 ASP HB3 H 2.684 0.030 1 233 27 27 ASP C C 175.144 0.300 1 234 27 27 ASP CA C 52.646 0.300 1 235 27 27 ASP CB C 42.271 0.300 1 236 27 27 ASP N N 121.415 0.300 1 237 28 28 ALA H H 8.224 0.030 1 238 28 28 ALA HA H 4.608 0.030 1 239 28 28 ALA HB H 1.376 0.030 1 240 28 28 ALA C C 176.688 0.300 1 241 28 28 ALA CA C 51.693 0.300 1 242 28 28 ALA CB C 19.654 0.300 1 243 28 28 ALA N N 122.188 0.300 1 244 29 29 CYS H H 9.436 0.030 1 245 29 29 CYS HA H 3.763 0.030 1 246 29 29 CYS HB2 H 1.755 0.030 2 247 29 29 CYS HB3 H 3.095 0.030 2 248 29 29 CYS C C 174.902 0.300 1 249 29 29 CYS CA C 58.272 0.300 1 250 29 29 CYS CB C 29.132 0.300 1 251 29 29 CYS N N 124.158 0.300 1 252 30 30 LEU H H 8.688 0.030 1 253 30 30 LEU HA H 3.791 0.030 1 254 30 30 LEU HB2 H 1.462 0.030 2 255 30 30 LEU HB3 H 1.680 0.030 2 256 30 30 LEU HD1 H 0.926 0.030 1 257 30 30 LEU HD2 H 0.856 0.030 1 258 30 30 LEU HG H 1.777 0.030 1 259 30 30 LEU C C 180.325 0.300 1 260 30 30 LEU CA C 58.272 0.300 1 261 30 30 LEU CB C 41.498 0.300 1 262 30 30 LEU CD1 C 25.191 0.300 2 263 30 30 LEU CD2 C 22.824 0.300 2 264 30 30 LEU CG C 27.189 0.300 1 265 30 30 LEU N N 118.213 0.300 1 266 31 31 ARG H H 7.931 0.030 1 267 31 31 ARG HA H 4.086 0.030 1 268 31 31 ARG HB2 H 1.914 0.030 1 269 31 31 ARG HB3 H 1.914 0.030 1 270 31 31 ARG HD2 H 3.196 0.030 2 271 31 31 ARG HD3 H 3.061 0.030 2 272 31 31 ARG HG2 H 1.696 0.030 2 273 31 31 ARG HG3 H 1.554 0.030 2 274 31 31 ARG C C 178.527 0.300 1 275 31 31 ARG CA C 59.586 0.300 1 276 31 31 ARG CB C 29.636 0.300 1 277 31 31 ARG CD C 42.938 0.300 1 278 31 31 ARG CG C 27.449 0.300 1 279 31 31 ARG N N 121.017 0.300 1 280 32 32 CYS H H 8.609 0.030 1 281 32 32 CYS HA H 3.791 0.030 1 282 32 32 CYS HB2 H 2.535 0.030 2 283 32 32 CYS HB3 H 2.756 0.030 2 284 32 32 CYS C C 179.139 0.300 1 285 32 32 CYS CA C 65.285 0.300 1 286 32 32 CYS CB C 29.200 0.300 1 287 32 32 CYS N N 124.396 0.300 1 288 33 33 GLN H H 8.644 0.030 1 289 33 33 GLN HA H 3.949 0.030 1 290 33 33 GLN HB2 H 1.931 0.030 2 291 33 33 GLN HB3 H 2.150 0.030 2 292 33 33 GLN HE21 H 6.986 0.030 2 293 33 33 GLN HE22 H 7.875 0.030 2 294 33 33 GLN HG2 H 2.179 0.030 2 295 33 33 GLN HG3 H 2.479 0.030 2 296 33 33 GLN C C 178.965 0.300 1 297 33 33 GLN CA C 59.576 0.300 1 298 33 33 GLN CB C 28.848 0.300 1 299 33 33 GLN CG C 34.216 0.300 1 300 33 33 GLN N N 118.210 0.300 1 301 33 33 GLN NE2 N 113.473 0.300 1 302 34 34 ALA H H 7.686 0.030 1 303 34 34 ALA HA H 4.124 0.030 1 304 34 34 ALA HB H 1.554 0.030 1 305 34 34 ALA C C 179.429 0.300 1 306 34 34 ALA CA C 54.775 0.300 1 307 34 34 ALA CB C 18.438 0.300 1 308 34 34 ALA N N 121.581 0.300 1 309 35 35 GLU H H 7.638 0.030 1 310 35 35 GLU HA H 4.321 0.030 1 311 35 35 GLU HB2 H 1.688 0.030 2 312 35 35 GLU HB3 H 2.253 0.030 2 313 35 35 GLU HG2 H 2.411 0.030 2 314 35 35 GLU HG3 H 2.220 0.030 2 315 35 35 GLU C C 175.248 0.300 1 316 35 35 GLU CA C 55.564 0.300 1 317 35 35 GLU CB C 30.426 0.300 1 318 35 35 GLU CG C 36.506 0.300 1 319 35 35 GLU N N 113.953 0.300 1 320 36 36 ASN H H 7.767 0.030 1 321 36 36 ASN HA H 4.629 0.030 1 322 36 36 ASN HB2 H 2.852 0.030 2 323 36 36 ASN HB3 H 3.157 0.030 2 324 36 36 ASN HD21 H 6.847 0.030 2 325 36 36 ASN HD22 H 7.591 0.030 2 326 36 36 ASN C C 175.320 0.300 1 327 36 36 ASN CA C 54.617 0.300 1 328 36 36 ASN CB C 37.120 0.300 1 329 36 36 ASN N N 116.591 0.300 1 330 36 36 ASN ND2 N 113.248 0.300 1 331 37 37 LYS H H 8.468 0.030 1 332 37 37 LYS HA H 4.794 0.030 1 333 37 37 LYS HB2 H 1.502 0.030 2 334 37 37 LYS HB3 H 2.217 0.030 2 335 37 37 LYS HD2 H 1.681 0.030 2 336 37 37 LYS HD3 H 1.758 0.030 2 337 37 37 LYS HE2 H 3.022 0.030 1 338 37 37 LYS HE3 H 3.022 0.030 1 339 37 37 LYS HG2 H 1.341 0.030 2 340 37 37 LYS HG3 H 1.503 0.030 2 341 37 37 LYS C C 177.039 0.300 1 342 37 37 LYS CA C 54.886 0.300 1 343 37 37 LYS CB C 33.096 0.300 1 344 37 37 LYS CD C 29.151 0.300 1 345 37 37 LYS CE C 42.884 0.300 1 346 37 37 LYS CG C 24.413 0.300 1 347 37 37 LYS N N 118.553 0.300 1 348 38 38 GLN H H 9.146 0.030 1 349 38 38 GLN HA H 3.636 0.030 1 350 38 38 GLN HB2 H 2.084 0.030 2 351 38 38 GLN HB3 H 1.994 0.030 2 352 38 38 GLN HE21 H 7.134 0.030 2 353 38 38 GLN HE22 H 7.735 0.030 2 354 38 38 GLN HG2 H 2.546 0.030 2 355 38 38 GLN HG3 H 2.086 0.030 2 356 38 38 GLN C C 178.098 0.300 1 357 38 38 GLN CA C 60.718 0.300 1 358 38 38 GLN CB C 27.878 0.300 1 359 38 38 GLN CG C 34.634 0.300 1 360 38 38 GLN N N 119.667 0.300 1 361 38 38 GLN NE2 N 112.064 0.300 1 362 39 39 GLU H H 8.880 0.030 1 363 39 39 GLU HA H 4.082 0.030 1 364 39 39 GLU HB2 H 2.026 0.030 2 365 39 39 GLU HB3 H 1.961 0.030 2 366 39 39 GLU HG2 H 2.297 0.030 1 367 39 39 GLU HG3 H 2.297 0.030 1 368 39 39 GLU C C 176.708 0.300 1 369 39 39 GLU CA C 58.594 0.300 1 370 39 39 GLU CB C 29.128 0.300 1 371 39 39 GLU CG C 36.379 0.300 1 372 39 39 GLU N N 117.217 0.300 1 373 40 40 ASP H H 7.697 0.030 1 374 40 40 ASP HA H 4.709 0.030 1 375 40 40 ASP HB2 H 2.610 0.030 2 376 40 40 ASP HB3 H 2.882 0.030 2 377 40 40 ASP C C 174.785 0.300 1 378 40 40 ASP CA C 54.144 0.300 1 379 40 40 ASP CB C 41.995 0.300 1 380 40 40 ASP N N 117.169 0.300 1 381 41 41 CYS H H 7.514 0.030 1 382 41 41 CYS HA H 4.427 0.030 1 383 41 41 CYS HB2 H 3.178 0.030 2 384 41 41 CYS HB3 H 3.087 0.030 2 385 41 41 CYS C C 175.410 0.300 1 386 41 41 CYS CA C 60.919 0.300 1 387 41 41 CYS CB C 29.157 0.300 1 388 41 41 CYS N N 126.975 0.300 1 389 42 42 VAL H H 8.112 0.030 1 390 42 42 VAL HA H 4.975 0.030 1 391 42 42 VAL HB H 2.394 0.030 1 392 42 42 VAL HG1 H 0.968 0.030 1 393 42 42 VAL HG2 H 0.990 0.030 1 394 42 42 VAL C C 175.670 0.300 1 395 42 42 VAL CA C 60.146 0.300 1 396 42 42 VAL CB C 35.156 0.300 1 397 42 42 VAL CG1 C 21.388 0.300 2 398 42 42 VAL CG2 C 18.645 0.300 2 399 42 42 VAL N N 120.024 0.300 1 400 43 43 VAL H H 8.848 0.030 1 401 43 43 VAL HA H 4.260 0.030 1 402 43 43 VAL HB H 1.852 0.030 1 403 43 43 VAL HG1 H -0.140 0.030 1 404 43 43 VAL HG2 H 0.865 0.030 1 405 43 43 VAL C C 173.968 0.300 1 406 43 43 VAL CA C 62.518 0.300 1 407 43 43 VAL CB C 33.345 0.300 1 408 43 43 VAL CG1 C 20.713 0.300 2 409 43 43 VAL CG2 C 23.412 0.300 2 410 43 43 VAL N N 125.950 0.300 1 411 44 44 VAL H H 8.845 0.030 1 412 44 44 VAL HA H 5.388 0.030 1 413 44 44 VAL HB H 2.203 0.030 1 414 44 44 VAL HG1 H 1.240 0.030 1 415 44 44 VAL HG2 H 1.444 0.030 1 416 44 44 VAL C C 172.429 0.300 1 417 44 44 VAL CA C 59.271 0.300 1 418 44 44 VAL CB C 36.178 0.300 1 419 44 44 VAL CG1 C 20.484 0.300 2 420 44 44 VAL CG2 C 23.359 0.300 2 421 44 44 VAL N N 121.854 0.300 1 422 45 45 TRP H H 9.106 0.030 1 423 45 45 TRP HA H 5.258 0.030 1 424 45 45 TRP HB2 H 3.129 0.030 1 425 45 45 TRP HB3 H 3.129 0.030 1 426 45 45 TRP HD1 H 6.988 0.030 1 427 45 45 TRP HE1 H 9.915 0.030 1 428 45 45 TRP HE3 H 7.418 0.030 1 429 45 45 TRP HH2 H 6.956 0.030 1 430 45 45 TRP HZ2 H 7.289 0.030 1 431 45 45 TRP HZ3 H 6.780 0.030 1 432 45 45 TRP C C 177.274 0.300 1 433 45 45 TRP CA C 57.208 0.300 1 434 45 45 TRP CB C 33.010 0.300 1 435 45 45 TRP CD1 C 126.806 0.300 1 436 45 45 TRP CE3 C 121.385 0.300 1 437 45 45 TRP CH2 C 124.304 0.300 1 438 45 45 TRP CZ2 C 114.597 0.300 1 439 45 45 TRP CZ3 C 122.232 0.300 1 440 45 45 TRP N N 125.533 0.300 1 441 45 45 TRP NE1 N 129.010 0.300 1 442 46 46 GLY H H 9.161 0.030 1 443 46 46 GLY HA2 H 3.442 0.030 2 444 46 46 GLY HA3 H 4.231 0.030 2 445 46 46 GLY C C 177.420 0.300 1 446 46 46 GLY CA C 44.344 0.300 1 447 46 46 GLY N N 111.325 0.300 1 448 47 47 GLU H H 8.686 0.030 1 449 47 47 GLU HA H 3.993 0.030 1 450 47 47 GLU HB2 H 1.816 0.030 2 451 47 47 GLU HB3 H 2.000 0.030 2 452 47 47 GLU HG2 H 2.149 0.030 2 453 47 47 GLU HG3 H 2.057 0.030 2 454 47 47 GLU C C 176.642 0.300 1 455 47 47 GLU CA C 59.298 0.300 1 456 47 47 GLU CB C 29.703 0.300 1 457 47 47 GLU CG C 36.624 0.300 1 458 47 47 GLU N N 125.319 0.300 1 459 48 48 CYS H H 7.736 0.030 1 460 48 48 CYS HA H 4.391 0.030 1 461 48 48 CYS HB2 H 3.304 0.030 2 462 48 48 CYS HB3 H 2.737 0.030 2 463 48 48 CYS C C 174.655 0.300 1 464 48 48 CYS CA C 58.190 0.300 1 465 48 48 CYS CB C 31.333 0.300 1 466 48 48 CYS N N 115.087 0.300 1 467 49 49 ASN H H 8.003 0.030 1 468 49 49 ASN HA H 4.422 0.030 1 469 49 49 ASN HB2 H 2.982 0.030 1 470 49 49 ASN HB3 H 2.982 0.030 1 471 49 49 ASN HD21 H 6.798 0.030 2 472 49 49 ASN HD22 H 7.381 0.030 2 473 49 49 ASN C C 174.161 0.300 1 474 49 49 ASN CA C 55.499 0.300 1 475 49 49 ASN CB C 37.297 0.300 1 476 49 49 ASN N N 114.164 0.300 1 477 49 49 ASN ND2 N 112.607 0.300 1 478 50 50 HIS H H 7.976 0.030 1 479 50 50 HIS HA H 4.783 0.030 1 480 50 50 HIS HB2 H 2.958 0.030 2 481 50 50 HIS HB3 H 3.602 0.030 2 482 50 50 HIS HD2 H 7.245 0.030 1 483 50 50 HIS HE1 H 7.790 0.030 1 484 50 50 HIS C C 173.001 0.300 1 485 50 50 HIS CA C 59.168 0.300 1 486 50 50 HIS CB C 32.011 0.300 1 487 50 50 HIS CD2 C 118.864 0.300 1 488 50 50 HIS CE1 C 137.731 0.300 1 489 50 50 HIS N N 120.023 0.300 1 490 51 51 SER H H 8.096 0.030 1 491 51 51 SER HA H 5.472 0.030 1 492 51 51 SER HB2 H 2.538 0.030 2 493 51 51 SER HB3 H 2.353 0.030 2 494 51 51 SER C C 171.938 0.300 1 495 51 51 SER CA C 54.874 0.300 1 496 51 51 SER CB C 65.728 0.300 1 497 51 51 SER N N 114.876 0.300 1 498 52 52 PHE H H 8.199 0.030 1 499 52 52 PHE HA H 4.635 0.030 1 500 52 52 PHE HB2 H 2.047 0.030 2 501 52 52 PHE HB3 H 3.397 0.030 2 502 52 52 PHE HD1 H 7.117 0.030 1 503 52 52 PHE HD2 H 7.117 0.030 1 504 52 52 PHE HE1 H 7.143 0.030 1 505 52 52 PHE HE2 H 7.143 0.030 1 506 52 52 PHE HZ H 6.992 0.030 1 507 52 52 PHE C C 175.734 0.300 1 508 52 52 PHE CA C 55.785 0.300 1 509 52 52 PHE CB C 45.642 0.300 1 510 52 52 PHE CD1 C 132.403 0.300 1 511 52 52 PHE CD2 C 132.403 0.300 1 512 52 52 PHE CE1 C 130.709 0.300 1 513 52 52 PHE CE2 C 130.709 0.300 1 514 52 52 PHE CZ C 129.538 0.300 1 515 52 52 PHE N N 113.813 0.300 1 516 53 53 HIS H H 8.463 0.030 1 517 53 53 HIS HA H 4.663 0.030 1 518 53 53 HIS HB2 H 3.968 0.030 2 519 53 53 HIS HB3 H 3.916 0.030 2 520 53 53 HIS HD2 H 7.448 0.030 1 521 53 53 HIS HE1 H 7.193 0.030 1 522 53 53 HIS C C 177.446 0.300 1 523 53 53 HIS CA C 60.598 0.300 1 524 53 53 HIS CB C 30.822 0.300 1 525 53 53 HIS CD2 C 119.703 0.300 1 526 53 53 HIS CE1 C 137.450 0.300 1 527 53 53 HIS N N 117.959 0.300 1 528 54 54 ASN H H 9.532 0.030 1 529 54 54 ASN HA H 4.536 0.030 1 530 54 54 ASN HB2 H 2.429 0.030 2 531 54 54 ASN HB3 H 3.221 0.030 2 532 54 54 ASN HD21 H 6.914 0.030 2 533 54 54 ASN HD22 H 7.816 0.030 2 534 54 54 ASN C C 178.544 0.300 1 535 54 54 ASN CA C 57.875 0.300 1 536 54 54 ASN CB C 39.471 0.300 1 537 54 54 ASN N N 127.424 0.300 1 538 54 54 ASN ND2 N 114.207 0.300 1 539 55 55 CYS H H 10.555 0.030 1 540 55 55 CYS HA H 3.917 0.030 1 541 55 55 CYS HB2 H 2.784 0.030 2 542 55 55 CYS HB3 H 3.060 0.030 2 543 55 55 CYS C C 178.498 0.300 1 544 55 55 CYS CA C 64.110 0.300 1 545 55 55 CYS CB C 32.580 0.300 1 546 55 55 CYS N N 121.894 0.300 1 547 56 56 CYS H H 6.602 0.030 1 548 56 56 CYS HA H 4.012 0.030 1 549 56 56 CYS HB2 H 3.003 0.030 1 550 56 56 CYS HB3 H 3.003 0.030 1 551 56 56 CYS C C 178.363 0.300 1 552 56 56 CYS CA C 62.479 0.300 1 553 56 56 CYS CB C 29.481 0.300 1 554 56 56 CYS N N 117.344 0.300 1 555 57 57 MET H H 8.451 0.030 1 556 57 57 MET HA H 4.312 0.030 1 557 57 57 MET HB2 H 1.974 0.030 2 558 57 57 MET HB3 H 1.570 0.030 2 559 57 57 MET HE H -0.191 0.030 1 560 57 57 MET HG2 H 1.986 0.030 2 561 57 57 MET HG3 H 1.815 0.030 2 562 57 57 MET C C 177.455 0.300 1 563 57 57 MET CA C 55.864 0.300 1 564 57 57 MET CB C 30.812 0.300 1 565 57 57 MET CE C 14.160 0.300 1 566 57 57 MET CG C 32.174 0.300 1 567 57 57 MET N N 120.329 0.300 1 568 58 58 SER H H 8.549 0.030 1 569 58 58 SER HA H 4.170 0.030 1 570 58 58 SER HB2 H 3.895 0.030 2 571 58 58 SER HB3 H 3.961 0.030 2 572 58 58 SER C C 175.859 0.300 1 573 58 58 SER CA C 62.034 0.300 1 574 58 58 SER CB C 62.829 0.300 1 575 58 58 SER N N 114.820 0.300 1 576 59 59 LEU H H 6.834 0.030 1 577 59 59 LEU HA H 4.254 0.030 1 578 59 59 LEU HB2 H 1.627 0.030 2 579 59 59 LEU HB3 H 1.951 0.030 2 580 59 59 LEU HD1 H 0.943 0.030 1 581 59 59 LEU HD2 H 0.854 0.030 1 582 59 59 LEU HG H 1.762 0.030 1 583 59 59 LEU C C 179.243 0.300 1 584 59 59 LEU CA C 56.906 0.300 1 585 59 59 LEU CB C 41.939 0.300 1 586 59 59 LEU CD1 C 24.993 0.300 2 587 59 59 LEU CD2 C 23.328 0.300 2 588 59 59 LEU CG C 26.780 0.300 1 589 59 59 LEU N N 119.078 0.300 1 590 60 60 TRP H H 7.920 0.030 1 591 60 60 TRP HA H 4.132 0.030 1 592 60 60 TRP HB2 H 3.140 0.030 2 593 60 60 TRP HB3 H 3.499 0.030 2 594 60 60 TRP HD1 H 6.732 0.030 1 595 60 60 TRP HE1 H 9.906 0.030 1 596 60 60 TRP HE3 H 7.468 0.030 1 597 60 60 TRP HH2 H 7.108 0.030 1 598 60 60 TRP HZ2 H 7.238 0.030 1 599 60 60 TRP HZ3 H 7.057 0.030 1 600 60 60 TRP C C 179.363 0.300 1 601 60 60 TRP CA C 60.920 0.300 1 602 60 60 TRP CB C 30.230 0.300 1 603 60 60 TRP CD1 C 127.749 0.300 1 604 60 60 TRP CE3 C 120.589 0.300 1 605 60 60 TRP CH2 C 124.465 0.300 1 606 60 60 TRP CZ2 C 114.117 0.300 1 607 60 60 TRP CZ3 C 121.925 0.300 1 608 60 60 TRP N N 123.442 0.300 1 609 60 60 TRP NE1 N 129.503 0.300 1 610 61 61 VAL H H 8.500 0.030 1 611 61 61 VAL HA H 4.579 0.030 1 612 61 61 VAL HB H 2.419 0.030 1 613 61 61 VAL HG1 H 1.045 0.030 1 614 61 61 VAL HG2 H 1.032 0.030 1 615 61 61 VAL C C 177.255 0.300 1 616 61 61 VAL CA C 63.036 0.300 1 617 61 61 VAL CB C 31.588 0.300 1 618 61 61 VAL CG1 C 21.347 0.300 2 619 61 61 VAL CG2 C 19.512 0.300 2 620 61 61 VAL N N 111.451 0.300 1 621 62 62 LYS H H 7.093 0.030 1 622 62 62 LYS HA H 4.065 0.030 1 623 62 62 LYS HB2 H 1.849 0.030 1 624 62 62 LYS HB3 H 1.849 0.030 1 625 62 62 LYS HD2 H 1.720 0.030 1 626 62 62 LYS HD3 H 1.720 0.030 1 627 62 62 LYS HE2 H 3.028 0.030 1 628 62 62 LYS HE3 H 3.028 0.030 1 629 62 62 LYS HG2 H 1.505 0.030 2 630 62 62 LYS HG3 H 1.761 0.030 2 631 62 62 LYS C C 177.615 0.300 1 632 62 62 LYS CA C 58.406 0.300 1 633 62 62 LYS CB C 32.180 0.300 1 634 62 62 LYS CD C 29.026 0.300 1 635 62 62 LYS CE C 42.329 0.300 1 636 62 62 LYS CG C 25.229 0.300 1 637 62 62 LYS N N 119.184 0.300 1 638 63 63 GLN H H 7.336 0.030 1 639 63 63 GLN HA H 4.418 0.030 1 640 63 63 GLN HB2 H 1.729 0.030 2 641 63 63 GLN HB3 H 1.895 0.030 2 642 63 63 GLN HE21 H 6.475 0.030 2 643 63 63 GLN HE22 H 7.246 0.030 2 644 63 63 GLN HG2 H 2.119 0.030 1 645 63 63 GLN HG3 H 2.119 0.030 1 646 63 63 GLN C C 174.930 0.300 1 647 63 63 GLN CA C 55.424 0.300 1 648 63 63 GLN CB C 30.711 0.300 1 649 63 63 GLN CG C 33.658 0.300 1 650 63 63 GLN N N 112.868 0.300 1 651 63 63 GLN NE2 N 111.750 0.300 1 652 64 64 ASN H H 7.545 0.030 1 653 64 64 ASN HA H 4.542 0.030 1 654 64 64 ASN HB2 H 1.721 0.030 2 655 64 64 ASN HB3 H 1.968 0.030 2 656 64 64 ASN HD21 H 6.571 0.030 2 657 64 64 ASN HD22 H 6.627 0.030 2 658 64 64 ASN C C 173.135 0.300 1 659 64 64 ASN CA C 52.994 0.300 1 660 64 64 ASN CB C 40.798 0.300 1 661 64 64 ASN N N 118.247 0.300 1 662 64 64 ASN ND2 N 113.040 0.300 1 663 65 65 ASN H H 8.475 0.030 1 664 65 65 ASN HA H 4.959 0.030 1 665 65 65 ASN HB2 H 2.905 0.030 1 666 65 65 ASN HB3 H 2.905 0.030 1 667 65 65 ASN HD21 H 6.758 0.030 2 668 65 65 ASN HD22 H 7.585 0.030 2 669 65 65 ASN C C 175.134 0.300 1 670 65 65 ASN CA C 52.955 0.300 1 671 65 65 ASN CB C 38.502 0.300 1 672 65 65 ASN N N 119.922 0.300 1 673 65 65 ASN ND2 N 111.610 0.300 1 674 66 66 ARG H H 8.115 0.030 1 675 66 66 ARG HA H 4.978 0.030 1 676 66 66 ARG HB2 H 1.449 0.030 2 677 66 66 ARG HB3 H 1.715 0.030 2 678 66 66 ARG HD2 H 3.257 0.030 2 679 66 66 ARG HD3 H 3.170 0.030 2 680 66 66 ARG HG2 H 1.627 0.030 2 681 66 66 ARG HG3 H 1.511 0.030 2 682 66 66 ARG C C 174.852 0.300 1 683 66 66 ARG CA C 54.489 0.300 1 684 66 66 ARG CB C 33.753 0.300 1 685 66 66 ARG CD C 43.423 0.300 1 686 66 66 ARG CG C 27.650 0.300 1 687 66 66 ARG N N 118.757 0.300 1 688 67 67 CYS H H 9.050 0.030 1 689 67 67 CYS HA H 4.228 0.030 1 690 67 67 CYS HB2 H 3.420 0.030 2 691 67 67 CYS HB3 H 3.396 0.030 2 692 67 67 CYS C C 176.404 0.300 1 693 67 67 CYS CA C 57.218 0.300 1 694 67 67 CYS CB C 32.328 0.300 1 695 67 67 CYS N N 123.387 0.300 1 696 68 68 PRO HA H 3.992 0.030 1 697 68 68 PRO HB2 H 0.976 0.030 1 698 68 68 PRO HB3 H 0.976 0.030 1 699 68 68 PRO HD2 H 2.665 0.030 2 700 68 68 PRO HD3 H 3.082 0.030 2 701 68 68 PRO HG2 H 0.316 0.030 2 702 68 68 PRO HG3 H -0.541 0.030 2 703 68 68 PRO C C 176.987 0.300 1 704 68 68 PRO CA C 64.512 0.300 1 705 68 68 PRO CB C 32.029 0.300 1 706 68 68 PRO CD C 50.874 0.300 1 707 68 68 PRO CG C 25.153 0.300 1 708 69 69 LEU H H 9.002 0.030 1 709 69 69 LEU HA H 4.304 0.030 1 710 69 69 LEU HB2 H 0.714 0.030 2 711 69 69 LEU HB3 H 0.933 0.030 2 712 69 69 LEU HD1 H 0.526 0.030 1 713 69 69 LEU HD2 H 0.547 0.030 1 714 69 69 LEU HG H 1.168 0.030 1 715 69 69 LEU C C 177.636 0.300 1 716 69 69 LEU CA C 55.970 0.300 1 717 69 69 LEU CB C 43.193 0.300 1 718 69 69 LEU CD1 C 22.739 0.300 2 719 69 69 LEU CD2 C 25.654 0.300 2 720 69 69 LEU CG C 26.947 0.300 1 721 69 69 LEU N N 118.179 0.300 1 722 70 70 CYS H H 8.222 0.030 1 723 70 70 CYS HA H 4.993 0.030 1 724 70 70 CYS HB2 H 2.831 0.030 2 725 70 70 CYS HB3 H 3.498 0.030 2 726 70 70 CYS C C 175.939 0.300 1 727 70 70 CYS CA C 58.552 0.300 1 728 70 70 CYS CB C 32.456 0.300 1 729 70 70 CYS N N 117.975 0.300 1 730 71 71 GLN H H 8.125 0.030 1 731 71 71 GLN HA H 4.115 0.030 1 732 71 71 GLN HB2 H 2.415 0.030 1 733 71 71 GLN HB3 H 2.415 0.030 1 734 71 71 GLN HE21 H 6.608 0.030 2 735 71 71 GLN HE22 H 7.250 0.030 2 736 71 71 GLN HG2 H 2.301 0.030 2 737 71 71 GLN HG3 H 2.234 0.030 2 738 71 71 GLN C C 174.679 0.300 1 739 71 71 GLN CA C 58.032 0.300 1 740 71 71 GLN CB C 26.012 0.300 1 741 71 71 GLN CG C 34.170 0.300 1 742 71 71 GLN N N 115.186 0.300 1 743 71 71 GLN NE2 N 112.420 0.300 1 744 72 72 GLN H H 8.164 0.030 1 745 72 72 GLN HA H 4.464 0.030 1 746 72 72 GLN HB2 H 2.175 0.030 2 747 72 72 GLN HB3 H 2.248 0.030 2 748 72 72 GLN HE21 H 7.041 0.030 2 749 72 72 GLN HE22 H 7.898 0.030 2 750 72 72 GLN HG2 H 2.542 0.030 2 751 72 72 GLN HG3 H 2.709 0.030 2 752 72 72 GLN C C 175.977 0.300 1 753 72 72 GLN CA C 56.367 0.300 1 754 72 72 GLN CB C 30.160 0.300 1 755 72 72 GLN CG C 35.458 0.300 1 756 72 72 GLN N N 119.774 0.300 1 757 72 72 GLN NE2 N 113.532 0.300 1 758 73 73 ASP H H 8.718 0.030 1 759 73 73 ASP HA H 4.480 0.030 1 760 73 73 ASP HB2 H 2.549 0.030 2 761 73 73 ASP HB3 H 2.639 0.030 2 762 73 73 ASP C C 176.431 0.300 1 763 73 73 ASP CA C 56.386 0.300 1 764 73 73 ASP CB C 40.374 0.300 1 765 73 73 ASP N N 122.292 0.300 1 766 74 74 TRP H H 8.570 0.030 1 767 74 74 TRP HA H 4.822 0.030 1 768 74 74 TRP HB2 H 2.660 0.030 2 769 74 74 TRP HB3 H 3.061 0.030 2 770 74 74 TRP HD1 H 7.055 0.030 1 771 74 74 TRP HE1 H 10.072 0.030 1 772 74 74 TRP HE3 H 7.496 0.030 1 773 74 74 TRP HH2 H 7.366 0.030 1 774 74 74 TRP HZ2 H 7.296 0.030 1 775 74 74 TRP HZ3 H 7.437 0.030 1 776 74 74 TRP C C 174.998 0.300 1 777 74 74 TRP CA C 57.557 0.300 1 778 74 74 TRP CB C 29.262 0.300 1 779 74 74 TRP CD1 C 127.300 0.300 1 780 74 74 TRP CE3 C 120.605 0.300 1 781 74 74 TRP CH2 C 124.349 0.300 1 782 74 74 TRP CZ2 C 113.399 0.300 1 783 74 74 TRP CZ3 C 123.225 0.300 1 784 74 74 TRP N N 125.139 0.300 1 785 74 74 TRP NE1 N 128.637 0.300 1 786 75 75 VAL H H 7.447 0.030 1 787 75 75 VAL HA H 3.776 0.030 1 788 75 75 VAL HB H 1.550 0.030 1 789 75 75 VAL HG1 H 0.768 0.030 1 790 75 75 VAL HG2 H 0.739 0.030 1 791 75 75 VAL C C 174.411 0.300 1 792 75 75 VAL CA C 60.955 0.300 1 793 75 75 VAL CB C 35.601 0.300 1 794 75 75 VAL CG1 C 20.916 0.300 2 795 75 75 VAL CG2 C 21.062 0.300 2 796 75 75 VAL N N 130.930 0.300 1 797 76 76 VAL H H 8.413 0.030 1 798 76 76 VAL HA H 3.196 0.030 1 799 76 76 VAL HB H 1.898 0.030 1 800 76 76 VAL HG1 H 0.856 0.030 1 801 76 76 VAL HG2 H 1.109 0.030 1 802 76 76 VAL C C 175.759 0.300 1 803 76 76 VAL CA C 65.010 0.300 1 804 76 76 VAL CB C 32.267 0.300 1 805 76 76 VAL CG1 C 21.214 0.300 2 806 76 76 VAL CG2 C 23.139 0.300 2 807 76 76 VAL N N 126.315 0.300 1 808 77 77 GLN H H 9.540 0.030 1 809 77 77 GLN HA H 4.408 0.030 1 810 77 77 GLN HB2 H 1.515 0.030 2 811 77 77 GLN HB3 H 1.738 0.030 2 812 77 77 GLN HE21 H 7.287 0.030 2 813 77 77 GLN HE22 H 6.905 0.030 2 814 77 77 GLN HG2 H 2.005 0.030 2 815 77 77 GLN HG3 H 2.372 0.030 2 816 77 77 GLN C C 175.344 0.300 1 817 77 77 GLN CA C 56.608 0.300 1 818 77 77 GLN CB C 30.878 0.300 1 819 77 77 GLN CG C 34.109 0.300 1 820 77 77 GLN N N 129.189 0.300 1 821 77 77 GLN NE2 N 111.241 0.300 1 822 78 78 ARG H H 7.923 0.030 1 823 78 78 ARG HA H 4.634 0.030 1 824 78 78 ARG HB2 H 1.739 0.030 1 825 78 78 ARG HB3 H 1.739 0.030 1 826 78 78 ARG HD2 H 2.681 0.030 2 827 78 78 ARG HD3 H 2.569 0.030 2 828 78 78 ARG HG2 H 1.379 0.030 2 829 78 78 ARG HG3 H 1.315 0.030 2 830 78 78 ARG C C 172.779 0.300 1 831 78 78 ARG CA C 55.564 0.300 1 832 78 78 ARG CB C 32.960 0.300 1 833 78 78 ARG CD C 43.006 0.300 1 834 78 78 ARG CG C 27.061 0.300 1 835 78 78 ARG N N 116.195 0.300 1 836 79 79 ILE H H 8.545 0.030 1 837 79 79 ILE HA H 5.387 0.030 1 838 79 79 ILE HB H 1.789 0.030 1 839 79 79 ILE HD1 H 0.931 0.030 1 840 79 79 ILE HG12 H 1.122 0.030 2 841 79 79 ILE HG13 H 1.672 0.030 2 842 79 79 ILE HG2 H 0.991 0.030 1 843 79 79 ILE C C 176.299 0.300 1 844 79 79 ILE CA C 59.788 0.300 1 845 79 79 ILE CB C 41.341 0.300 1 846 79 79 ILE CD1 C 13.719 0.300 1 847 79 79 ILE CG1 C 28.257 0.300 1 848 79 79 ILE CG2 C 17.128 0.300 1 849 79 79 ILE N N 122.018 0.300 1 850 80 80 GLY H H 9.533 0.030 1 851 80 80 GLY HA2 H 4.061 0.030 2 852 80 80 GLY HA3 H 4.450 0.030 2 853 80 80 GLY C C 171.374 0.300 1 854 80 80 GLY CA C 45.599 0.300 1 855 80 80 GLY N N 115.350 0.300 1 856 81 81 LYS H H 8.054 0.030 1 857 81 81 LYS HA H 4.379 0.030 1 858 81 81 LYS HB2 H 1.804 0.030 2 859 81 81 LYS HB3 H 1.951 0.030 2 860 81 81 LYS HD2 H 1.802 0.030 1 861 81 81 LYS HD3 H 1.802 0.030 1 862 81 81 LYS HE2 H 3.081 0.030 1 863 81 81 LYS HE3 H 3.081 0.030 1 864 81 81 LYS HG2 H 1.545 0.030 1 865 81 81 LYS HG3 H 1.545 0.030 1 866 81 81 LYS C C 181.236 0.300 1 867 81 81 LYS CA C 57.936 0.300 1 868 81 81 LYS CB C 34.614 0.300 1 869 81 81 LYS CD C 29.463 0.300 1 870 81 81 LYS CE C 42.334 0.300 1 871 81 81 LYS CG C 25.237 0.300 1 872 81 81 LYS N N 125.944 0.300 1 stop_ save_