data_11336 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the RING domain of the human ring finger protein 4 ; _BMRB_accession_number 11336 _BMRB_flat_file_name bmr11336.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 Yoneyama M. . . 3 Tomizawa T. . . 4 Koshiba S. . . 5 Watanabe S. . . 6 Harada T. . . 7 Kigawa T. . . 8 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" 356 "13C chemical shifts" 265 "15N chemical shifts" 63 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-19 original author . stop_ _Original_release_date 2011-08-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of the RING domain of the human ring finger protein 4' _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 Yoneyama M. . . 3 Tomizawa T. . . 4 Koshiba S. . . 5 Watanabe S. . . 6 Harada T. . . 7 Kigawa T. . . 8 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RING finger protein 4' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RING domain' $entity_1 'ZINC ION no.1' $ZN 'ZINC ION no.2' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'RING domain' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 69 _Mol_residue_sequence ; GSSGSSGTGLRPSGTVSCPI CMDGYSEIVQNGRLIVSTEC GHVFCSQCLRDSLKNANTCP TCRKKINHK ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 THR 9 GLY 10 LEU 11 ARG 12 PRO 13 SER 14 GLY 15 THR 16 VAL 17 SER 18 CYS 19 PRO 20 ILE 21 CYS 22 MET 23 ASP 24 GLY 25 TYR 26 SER 27 GLU 28 ILE 29 VAL 30 GLN 31 ASN 32 GLY 33 ARG 34 LEU 35 ILE 36 VAL 37 SER 38 THR 39 GLU 40 CYS 41 GLY 42 HIS 43 VAL 44 PHE 45 CYS 46 SER 47 GLN 48 CYS 49 LEU 50 ARG 51 ASP 52 SER 53 LEU 54 LYS 55 ASN 56 ALA 57 ASN 58 THR 59 CYS 60 PRO 61 THR 62 CYS 63 ARG 64 LYS 65 LYS 66 ILE 67 ASN 68 HIS 69 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-29 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 2EA6 "Solution Structure Of The Ring Domain Of The Human Ring Finger Protein 4" 100.00 69 100.00 100.00 3.20e-41 PDB 3NG2 "Crystal Structure Of The Rnf4 Ring Domain Dimer" 89.86 71 100.00 100.00 1.14e-36 PDB 4AP4 "Rnf4 - Ubch5a - Ubiquitin Heterotrimeric Complex" 82.61 133 100.00 100.00 9.49e-32 PDB 5AIT "A Complex Of Of Rnf4-ring Domain, Ubev2, Ubc13-ub (isopeptide Crosslink)" 82.61 133 100.00 100.00 9.49e-32 PDB 5AIU "A Complex Of Rnf4-ring Domain, Ubc13-ub (isopeptide Crosslink)" 82.61 133 100.00 100.00 9.49e-32 DBJ BAA19122 "zinc finger protein [Homo sapiens]" 91.30 190 98.41 98.41 2.65e-37 DBJ BAG35433 "unnamed protein product [Homo sapiens]" 91.30 190 98.41 98.41 2.65e-37 DBJ BAG54620 "unnamed protein product [Homo sapiens]" 91.30 190 98.41 98.41 2.65e-37 DBJ BAG73691 "ring finger protein 4 [synthetic construct]" 91.30 190 98.41 98.41 2.65e-37 GB AAC35248 "small nuclear RING finger protein [Rattus norvegicus]" 89.86 194 100.00 100.00 5.68e-37 GB AAC52022 "RNF4 [Homo sapiens]" 91.30 190 98.41 98.41 2.65e-37 GB AAH31935 "RNF4 protein [Homo sapiens]" 91.30 190 98.41 98.41 2.65e-37 GB AAH62024 "Rnf4 protein [Rattus norvegicus]" 89.86 194 100.00 100.00 5.68e-37 GB AAL06715 "small nuclear RING finger protein [Rattus norvegicus]" 89.86 194 100.00 100.00 5.68e-37 REF NP_001171938 "E3 ubiquitin-protein ligase RNF4 isoform 1 [Homo sapiens]" 91.30 190 98.41 98.41 2.65e-37 REF NP_002929 "E3 ubiquitin-protein ligase RNF4 isoform 1 [Homo sapiens]" 91.30 190 98.41 98.41 2.65e-37 REF NP_062055 "E3 ubiquitin-protein ligase RNF4 [Rattus norvegicus]" 89.86 194 100.00 100.00 5.68e-37 REF XP_003890937 "PREDICTED: E3 ubiquitin-protein ligase RNF4 [Papio anubis]" 91.30 190 98.41 98.41 3.19e-37 REF XP_004038387 "PREDICTED: E3 ubiquitin-protein ligase RNF4 [Gorilla gorilla gorilla]" 91.30 190 98.41 98.41 2.65e-37 SP O88846 "RecName: Full=E3 ubiquitin-protein ligase RNF4; AltName: Full=RING finger protein 4; AltName: Full=Small nuclear ring finger pr" 89.86 194 100.00 100.00 5.68e-37 SP P78317 "RecName: Full=E3 ubiquitin-protein ligase RNF4; AltName: Full=RING finger protein 4; AltName: Full=Small nuclear ring finger pr" 91.30 190 98.41 98.41 2.65e-37 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 P060327-06 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.03mM 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 1.03 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' ZnCl2 0.05 mM 'natural abundance' IDA 1.0 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 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 0.9820 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 _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 $XWINNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'RING domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 7 7 GLY HA2 H 4.035 0.030 1 2 7 7 GLY HA3 H 4.035 0.030 1 3 7 7 GLY C C 174.544 0.300 1 4 7 7 GLY CA C 45.480 0.300 1 5 8 8 THR H H 8.128 0.030 1 6 8 8 THR HA H 4.349 0.030 1 7 8 8 THR HB H 4.267 0.030 1 8 8 8 THR HG2 H 1.193 0.030 1 9 8 8 THR C C 175.298 0.300 1 10 8 8 THR CA C 61.671 0.300 1 11 8 8 THR CB C 69.836 0.300 1 12 8 8 THR CG2 C 21.492 0.300 1 13 8 8 THR N N 112.939 0.300 1 14 9 9 GLY H H 8.449 0.030 1 15 9 9 GLY HA2 H 3.937 0.030 1 16 9 9 GLY HA3 H 3.937 0.030 1 17 9 9 GLY C C 173.906 0.300 1 18 9 9 GLY CA C 45.301 0.300 1 19 9 9 GLY N N 111.134 0.300 1 20 10 10 LEU H H 8.065 0.030 1 21 10 10 LEU HA H 4.324 0.030 1 22 10 10 LEU HB2 H 1.572 0.030 2 23 10 10 LEU HB3 H 1.518 0.030 2 24 10 10 LEU HD1 H 0.877 0.030 1 25 10 10 LEU HD2 H 0.830 0.030 1 26 10 10 LEU HG H 1.553 0.030 1 27 10 10 LEU C C 177.174 0.300 1 28 10 10 LEU CA C 55.040 0.300 1 29 10 10 LEU CB C 42.397 0.300 1 30 10 10 LEU CD1 C 24.914 0.300 2 31 10 10 LEU CD2 C 23.464 0.300 2 32 10 10 LEU CG C 27.096 0.300 1 33 10 10 LEU N N 121.580 0.300 1 34 11 11 ARG H H 8.358 0.030 1 35 11 11 ARG HA H 4.598 0.030 1 36 11 11 ARG HB2 H 1.691 0.030 2 37 11 11 ARG HB3 H 1.792 0.030 2 38 11 11 ARG HD2 H 3.163 0.030 1 39 11 11 ARG HD3 H 3.163 0.030 1 40 11 11 ARG HG2 H 1.615 0.030 1 41 11 11 ARG HG3 H 1.615 0.030 1 42 11 11 ARG C C 174.185 0.300 1 43 11 11 ARG CA C 53.755 0.300 1 44 11 11 ARG CB C 30.189 0.300 1 45 11 11 ARG CD C 43.338 0.300 1 46 11 11 ARG CG C 26.767 0.300 1 47 11 11 ARG N N 123.184 0.300 1 48 12 12 PRO HA H 4.405 0.030 1 49 12 12 PRO HB2 H 1.885 0.030 2 50 12 12 PRO HB3 H 2.269 0.030 2 51 12 12 PRO HD2 H 3.572 0.030 2 52 12 12 PRO HD3 H 3.769 0.030 2 53 12 12 PRO HG2 H 1.995 0.030 2 54 12 12 PRO HG3 H 1.946 0.030 2 55 12 12 PRO C C 177.054 0.300 1 56 12 12 PRO CA C 63.182 0.300 1 57 12 12 PRO CB C 32.170 0.300 1 58 12 12 PRO CD C 50.657 0.300 1 59 12 12 PRO CG C 27.429 0.300 1 60 13 13 SER H H 8.459 0.030 1 61 13 13 SER HA H 4.500 0.030 1 62 13 13 SER HB2 H 3.903 0.030 1 63 13 13 SER HB3 H 3.903 0.030 1 64 13 13 SER C C 175.061 0.300 1 65 13 13 SER CA C 58.601 0.300 1 66 13 13 SER CB C 63.680 0.300 1 67 13 13 SER N N 116.631 0.300 1 68 14 14 GLY H H 8.456 0.030 1 69 14 14 GLY HA2 H 3.947 0.030 1 70 14 14 GLY HA3 H 3.947 0.030 1 71 14 14 GLY C C 174.206 0.300 1 72 14 14 GLY CA C 45.369 0.300 1 73 14 14 GLY N N 110.794 0.300 1 74 15 15 THR H H 8.035 0.030 1 75 15 15 THR HA H 4.347 0.030 1 76 15 15 THR HB H 4.173 0.030 1 77 15 15 THR HG2 H 1.158 0.030 1 78 15 15 THR C C 174.513 0.300 1 79 15 15 THR CA C 61.736 0.300 1 80 15 15 THR CB C 69.967 0.300 1 81 15 15 THR CG2 C 21.609 0.300 1 82 15 15 THR N N 113.540 0.300 1 83 16 16 VAL H H 8.104 0.030 1 84 16 16 VAL HA H 4.118 0.030 1 85 16 16 VAL HB H 2.022 0.030 1 86 16 16 VAL HG1 H 0.891 0.030 1 87 16 16 VAL HG2 H 0.841 0.030 1 88 16 16 VAL C C 174.505 0.300 1 89 16 16 VAL CA C 62.339 0.300 1 90 16 16 VAL CB C 32.941 0.300 1 91 16 16 VAL CG1 C 20.815 0.300 2 92 16 16 VAL CG2 C 21.316 0.300 2 93 16 16 VAL N N 122.974 0.300 1 94 17 17 SER H H 7.924 0.030 1 95 17 17 SER HA H 4.828 0.030 1 96 17 17 SER HB2 H 3.615 0.030 2 97 17 17 SER HB3 H 3.467 0.030 2 98 17 17 SER C C 172.144 0.300 1 99 17 17 SER CA C 56.917 0.300 1 100 17 17 SER CB C 65.544 0.300 1 101 17 17 SER N N 117.804 0.300 1 102 18 18 CYS H H 8.145 0.030 1 103 18 18 CYS HA H 4.872 0.030 1 104 18 18 CYS HB2 H 2.723 0.030 2 105 18 18 CYS HB3 H 3.633 0.030 2 106 18 18 CYS C C 175.931 0.300 1 107 18 18 CYS CA C 55.584 0.300 1 108 18 18 CYS CB C 32.329 0.300 1 109 18 18 CYS N N 123.726 0.300 1 110 19 19 PRO HA H 4.555 0.030 1 111 19 19 PRO HB2 H 2.187 0.030 2 112 19 19 PRO HB3 H 2.076 0.030 2 113 19 19 PRO HD2 H 4.321 0.030 2 114 19 19 PRO HD3 H 3.848 0.030 2 115 19 19 PRO HG2 H 2.063 0.030 2 116 19 19 PRO HG3 H 1.934 0.030 2 117 19 19 PRO C C 176.107 0.300 1 118 19 19 PRO CA C 64.211 0.300 1 119 19 19 PRO CB C 32.251 0.300 1 120 19 19 PRO CD C 51.697 0.300 1 121 19 19 PRO CG C 27.478 0.300 1 122 20 20 ILE H H 8.631 0.030 1 123 20 20 ILE HA H 4.160 0.030 1 124 20 20 ILE HB H 2.436 0.030 1 125 20 20 ILE HD1 H 0.763 0.030 1 126 20 20 ILE HG12 H 1.692 0.030 2 127 20 20 ILE HG13 H 1.272 0.030 2 128 20 20 ILE HG2 H 0.972 0.030 1 129 20 20 ILE C C 176.402 0.300 1 130 20 20 ILE CA C 64.141 0.300 1 131 20 20 ILE CB C 36.646 0.300 1 132 20 20 ILE CD1 C 12.971 0.300 1 133 20 20 ILE CG1 C 28.063 0.300 1 134 20 20 ILE CG2 C 17.365 0.300 1 135 20 20 ILE N N 122.472 0.300 1 136 21 21 CYS H H 7.938 0.030 1 137 21 21 CYS HA H 4.526 0.030 1 138 21 21 CYS HB2 H 3.144 0.030 2 139 21 21 CYS HB3 H 2.705 0.030 2 140 21 21 CYS C C 176.428 0.300 1 141 21 21 CYS CA C 59.426 0.300 1 142 21 21 CYS CB C 31.299 0.300 1 143 21 21 CYS N N 118.803 0.300 1 144 22 22 MET H H 7.632 0.030 1 145 22 22 MET HA H 4.444 0.030 1 146 22 22 MET HB2 H 2.240 0.030 2 147 22 22 MET HB3 H 2.484 0.030 2 148 22 22 MET HE H 2.032 0.030 1 149 22 22 MET HG2 H 2.489 0.030 2 150 22 22 MET HG3 H 2.272 0.030 2 151 22 22 MET C C 175.721 0.300 1 152 22 22 MET CA C 57.089 0.300 1 153 22 22 MET CB C 28.490 0.300 1 154 22 22 MET CE C 16.838 0.300 1 155 22 22 MET CG C 32.800 0.300 1 156 22 22 MET N N 115.436 0.300 1 157 23 23 ASP H H 8.443 0.030 1 158 23 23 ASP HA H 4.705 0.030 1 159 23 23 ASP HB2 H 3.044 0.030 2 160 23 23 ASP HB3 H 2.604 0.030 2 161 23 23 ASP C C 176.446 0.300 1 162 23 23 ASP CA C 55.422 0.300 1 163 23 23 ASP CB C 42.231 0.300 1 164 23 23 ASP N N 123.044 0.300 1 165 24 24 GLY H H 8.384 0.030 1 166 24 24 GLY HA2 H 3.888 0.030 2 167 24 24 GLY HA3 H 4.431 0.030 2 168 24 24 GLY C C 174.142 0.300 1 169 24 24 GLY CA C 43.918 0.300 1 170 24 24 GLY N N 106.478 0.300 1 171 25 25 TYR H H 8.103 0.030 1 172 25 25 TYR HA H 3.856 0.030 1 173 25 25 TYR HB2 H 2.969 0.030 2 174 25 25 TYR HB3 H 3.143 0.030 2 175 25 25 TYR HD1 H 6.946 0.030 1 176 25 25 TYR HD2 H 6.946 0.030 1 177 25 25 TYR HE1 H 6.735 0.030 1 178 25 25 TYR HE2 H 6.735 0.030 1 179 25 25 TYR C C 176.359 0.300 1 180 25 25 TYR CA C 62.493 0.300 1 181 25 25 TYR CB C 39.001 0.300 1 182 25 25 TYR CD1 C 132.675 0.300 1 183 25 25 TYR CD2 C 132.675 0.300 1 184 25 25 TYR CE1 C 118.355 0.300 1 185 25 25 TYR CE2 C 118.355 0.300 1 186 25 25 TYR N N 119.304 0.300 1 187 26 26 SER H H 8.749 0.030 1 188 26 26 SER HA H 4.806 0.030 1 189 26 26 SER HB2 H 3.853 0.030 2 190 26 26 SER HB3 H 3.963 0.030 2 191 26 26 SER C C 176.325 0.300 1 192 26 26 SER CA C 61.886 0.300 1 193 26 26 SER CB C 62.301 0.300 1 194 26 26 SER N N 111.745 0.300 1 195 27 27 GLU H H 7.691 0.030 1 196 27 27 GLU HA H 3.936 0.030 1 197 27 27 GLU HB2 H 2.215 0.030 2 198 27 27 GLU HB3 H 1.856 0.030 2 199 27 27 GLU HG2 H 2.425 0.030 2 200 27 27 GLU HG3 H 2.143 0.030 2 201 27 27 GLU C C 178.578 0.300 1 202 27 27 GLU CA C 59.839 0.300 1 203 27 27 GLU CB C 29.452 0.300 1 204 27 27 GLU CG C 37.622 0.300 1 205 27 27 GLU N N 121.080 0.300 1 206 28 28 ILE H H 8.018 0.030 1 207 28 28 ILE HA H 3.556 0.030 1 208 28 28 ILE HB H 1.792 0.030 1 209 28 28 ILE HD1 H 0.612 0.030 1 210 28 28 ILE HG12 H 1.729 0.030 2 211 28 28 ILE HG13 H 0.710 0.030 2 212 28 28 ILE HG2 H 0.588 0.030 1 213 28 28 ILE C C 176.521 0.300 1 214 28 28 ILE CA C 65.528 0.300 1 215 28 28 ILE CB C 38.598 0.300 1 216 28 28 ILE CD1 C 14.575 0.300 1 217 28 28 ILE CG1 C 30.217 0.300 1 218 28 28 ILE CG2 C 17.657 0.300 1 219 28 28 ILE N N 121.368 0.300 1 220 29 29 VAL H H 7.654 0.030 1 221 29 29 VAL HA H 4.147 0.030 1 222 29 29 VAL HB H 2.006 0.030 1 223 29 29 VAL HG1 H 0.739 0.030 1 224 29 29 VAL HG2 H 0.716 0.030 1 225 29 29 VAL C C 181.154 0.300 1 226 29 29 VAL CA C 64.177 0.300 1 227 29 29 VAL CB C 31.536 0.300 1 228 29 29 VAL CG1 C 20.998 0.300 2 229 29 29 VAL CG2 C 20.135 0.300 2 230 29 29 VAL N N 111.710 0.300 1 231 30 30 GLN H H 7.889 0.030 1 232 30 30 GLN HA H 4.110 0.030 1 233 30 30 GLN HB2 H 2.065 0.030 2 234 30 30 GLN HB3 H 2.257 0.030 2 235 30 30 GLN HE21 H 7.451 0.030 2 236 30 30 GLN HE22 H 6.827 0.030 2 237 30 30 GLN HG2 H 2.453 0.030 1 238 30 30 GLN HG3 H 2.453 0.030 1 239 30 30 GLN C C 176.786 0.300 1 240 30 30 GLN CA C 58.448 0.300 1 241 30 30 GLN CB C 28.350 0.300 1 242 30 30 GLN CG C 33.908 0.300 1 243 30 30 GLN N N 120.886 0.300 1 244 30 30 GLN NE2 N 111.519 0.300 1 245 31 31 ASN H H 7.446 0.030 1 246 31 31 ASN HA H 4.999 0.030 1 247 31 31 ASN HB2 H 3.084 0.030 2 248 31 31 ASN HB3 H 2.798 0.030 2 249 31 31 ASN HD21 H 6.725 0.030 2 250 31 31 ASN HD22 H 7.614 0.030 2 251 31 31 ASN C C 176.259 0.300 1 252 31 31 ASN CA C 51.919 0.300 1 253 31 31 ASN CB C 38.353 0.300 1 254 31 31 ASN N N 114.130 0.300 1 255 31 31 ASN ND2 N 109.582 0.300 1 256 32 32 GLY H H 7.732 0.030 1 257 32 32 GLY HA2 H 3.815 0.030 2 258 32 32 GLY HA3 H 4.101 0.030 2 259 32 32 GLY C C 174.976 0.300 1 260 32 32 GLY CA C 46.273 0.300 1 261 32 32 GLY N N 105.623 0.300 1 262 33 33 ARG H H 7.638 0.030 1 263 33 33 ARG HA H 4.360 0.030 1 264 33 33 ARG HB2 H 1.771 0.030 2 265 33 33 ARG HB3 H 2.418 0.030 2 266 33 33 ARG HD2 H 3.480 0.030 2 267 33 33 ARG HD3 H 3.587 0.030 2 268 33 33 ARG HG2 H 1.627 0.030 2 269 33 33 ARG HG3 H 1.754 0.030 2 270 33 33 ARG C C 173.608 0.300 1 271 33 33 ARG CA C 55.608 0.300 1 272 33 33 ARG CB C 33.961 0.300 1 273 33 33 ARG CD C 45.240 0.300 1 274 33 33 ARG CG C 27.484 0.300 1 275 33 33 ARG N N 118.913 0.300 1 276 34 34 LEU H H 7.949 0.030 1 277 34 34 LEU HA H 4.689 0.030 1 278 34 34 LEU HB2 H 1.578 0.030 2 279 34 34 LEU HB3 H 1.382 0.030 2 280 34 34 LEU HD1 H 0.883 0.030 1 281 34 34 LEU HD2 H 0.880 0.030 1 282 34 34 LEU HG H 1.591 0.030 1 283 34 34 LEU C C 176.626 0.300 1 284 34 34 LEU CA C 52.986 0.300 1 285 34 34 LEU CB C 45.197 0.300 1 286 34 34 LEU CD1 C 25.304 0.300 2 287 34 34 LEU CD2 C 23.608 0.300 2 288 34 34 LEU CG C 27.275 0.300 1 289 34 34 LEU N N 117.587 0.300 1 290 35 35 ILE H H 8.369 0.030 1 291 35 35 ILE HA H 4.448 0.030 1 292 35 35 ILE HB H 1.860 0.030 1 293 35 35 ILE HD1 H 0.636 0.030 1 294 35 35 ILE HG12 H 1.241 0.030 2 295 35 35 ILE HG13 H 1.447 0.030 2 296 35 35 ILE HG2 H 0.762 0.030 1 297 35 35 ILE C C 175.857 0.300 1 298 35 35 ILE CA C 60.148 0.300 1 299 35 35 ILE CB C 37.040 0.300 1 300 35 35 ILE CD1 C 12.122 0.300 1 301 35 35 ILE CG1 C 27.686 0.300 1 302 35 35 ILE CG2 C 18.216 0.300 1 303 35 35 ILE N N 120.666 0.300 1 304 36 36 VAL H H 9.198 0.030 1 305 36 36 VAL HA H 4.534 0.030 1 306 36 36 VAL HB H 2.021 0.030 1 307 36 36 VAL HG1 H 0.832 0.030 1 308 36 36 VAL HG2 H 0.787 0.030 1 309 36 36 VAL C C 173.450 0.300 1 310 36 36 VAL CA C 60.137 0.300 1 311 36 36 VAL CB C 34.926 0.300 1 312 36 36 VAL CG1 C 21.749 0.300 2 313 36 36 VAL CG2 C 19.989 0.300 2 314 36 36 VAL N N 126.042 0.300 1 315 37 37 SER H H 8.262 0.030 1 316 37 37 SER HA H 5.573 0.030 1 317 37 37 SER HB2 H 3.630 0.030 2 318 37 37 SER HB3 H 3.712 0.030 2 319 37 37 SER C C 175.956 0.300 1 320 37 37 SER CA C 55.956 0.300 1 321 37 37 SER CB C 65.320 0.300 1 322 37 37 SER N N 115.782 0.300 1 323 38 38 THR H H 9.274 0.030 1 324 38 38 THR HA H 4.811 0.030 1 325 38 38 THR HB H 4.665 0.030 1 326 38 38 THR HG2 H 1.543 0.030 1 327 38 38 THR C C 178.405 0.300 1 328 38 38 THR CA C 61.210 0.300 1 329 38 38 THR CB C 70.996 0.300 1 330 38 38 THR CG2 C 23.431 0.300 1 331 38 38 THR N N 115.904 0.300 1 332 39 39 GLU H H 7.015 0.030 1 333 39 39 GLU HA H 4.157 0.030 1 334 39 39 GLU HB2 H 2.180 0.030 1 335 39 39 GLU HB3 H 2.180 0.030 1 336 39 39 GLU HG2 H 2.371 0.030 1 337 39 39 GLU HG3 H 2.371 0.030 1 338 39 39 GLU C C 176.483 0.300 1 339 39 39 GLU CA C 59.186 0.300 1 340 39 39 GLU CB C 29.397 0.300 1 341 39 39 GLU CG C 36.475 0.300 1 342 40 40 CYS H H 7.713 0.030 1 343 40 40 CYS HA H 4.514 0.030 1 344 40 40 CYS HB2 H 2.749 0.030 2 345 40 40 CYS HB3 H 3.266 0.030 2 346 40 40 CYS C C 174.624 0.300 1 347 40 40 CYS CA C 55.697 0.300 1 348 40 40 CYS CB C 29.280 0.300 1 349 40 40 CYS N N 113.724 0.300 1 350 41 41 GLY H H 7.862 0.030 1 351 41 41 GLY HA2 H 3.543 0.030 2 352 41 41 GLY HA3 H 3.748 0.030 2 353 41 41 GLY C C 173.570 0.300 1 354 41 41 GLY CA C 45.798 0.300 1 355 41 41 GLY N N 109.925 0.300 1 356 42 42 HIS H H 7.825 0.030 1 357 42 42 HIS HA H 4.803 0.030 1 358 42 42 HIS HB2 H 3.201 0.030 1 359 42 42 HIS HB3 H 3.201 0.030 1 360 42 42 HIS HD2 H 7.272 0.030 1 361 42 42 HIS HE1 H 7.853 0.030 1 362 42 42 HIS C C 172.556 0.300 1 363 42 42 HIS CA C 58.266 0.300 1 364 42 42 HIS CB C 32.017 0.300 1 365 42 42 HIS CD2 C 118.993 0.300 1 366 42 42 HIS CE1 C 139.327 0.300 1 367 42 42 HIS N N 121.652 0.300 1 368 43 43 VAL H H 7.490 0.030 1 369 43 43 VAL HA H 4.976 0.030 1 370 43 43 VAL HB H 1.738 0.030 1 371 43 43 VAL HG1 H 0.775 0.030 1 372 43 43 VAL HG2 H 0.810 0.030 1 373 43 43 VAL C C 174.274 0.300 1 374 43 43 VAL CA C 61.286 0.300 1 375 43 43 VAL CB C 33.966 0.300 1 376 43 43 VAL CG1 C 21.749 0.300 2 377 43 43 VAL CG2 C 21.058 0.300 2 378 43 43 VAL N N 121.335 0.300 1 379 44 44 PHE H H 8.574 0.030 1 380 44 44 PHE HA H 5.168 0.030 1 381 44 44 PHE HB2 H 3.559 0.030 2 382 44 44 PHE HB3 H 2.398 0.030 2 383 44 44 PHE HD1 H 7.141 0.030 1 384 44 44 PHE HD2 H 7.141 0.030 1 385 44 44 PHE HE1 H 7.298 0.030 1 386 44 44 PHE HE2 H 7.298 0.030 1 387 44 44 PHE HZ H 7.508 0.030 1 388 44 44 PHE C C 175.122 0.300 1 389 44 44 PHE CA C 56.106 0.300 1 390 44 44 PHE CB C 46.812 0.300 1 391 44 44 PHE CD1 C 132.731 0.300 1 392 44 44 PHE CD2 C 132.731 0.300 1 393 44 44 PHE CE1 C 130.927 0.300 1 394 44 44 PHE CE2 C 130.927 0.300 1 395 44 44 PHE CZ C 130.899 0.300 1 396 44 44 PHE N N 119.959 0.300 1 397 45 45 CYS H H 9.857 0.030 1 398 45 45 CYS HA H 5.792 0.030 1 399 45 45 CYS HB2 H 2.905 0.030 2 400 45 45 CYS HB3 H 3.289 0.030 2 401 45 45 CYS C C 177.189 0.300 1 402 45 45 CYS CA C 57.882 0.300 1 403 45 45 CYS CB C 32.172 0.300 1 404 45 45 CYS N N 116.638 0.300 1 405 46 46 SER H H 9.221 0.030 1 406 46 46 SER HA H 3.881 0.030 1 407 46 46 SER HB2 H 3.870 0.030 2 408 46 46 SER HB3 H 3.991 0.030 2 409 46 46 SER C C 176.826 0.300 1 410 46 46 SER CA C 60.783 0.300 1 411 46 46 SER CB C 61.557 0.300 1 412 46 46 SER N N 113.645 0.300 1 413 47 47 GLN H H 7.235 0.030 1 414 47 47 GLN HA H 4.072 0.030 1 415 47 47 GLN HB2 H 2.337 0.030 2 416 47 47 GLN HB3 H 2.072 0.030 2 417 47 47 GLN HE21 H 7.800 0.030 2 418 47 47 GLN HE22 H 6.872 0.030 2 419 47 47 GLN HG2 H 2.299 0.030 2 420 47 47 GLN HG3 H 2.362 0.030 2 421 47 47 GLN C C 176.949 0.300 1 422 47 47 GLN CA C 58.869 0.300 1 423 47 47 GLN CB C 29.920 0.300 1 424 47 47 GLN CG C 33.818 0.300 1 425 47 47 GLN N N 123.348 0.300 1 426 47 47 GLN NE2 N 114.327 0.300 1 427 48 48 CYS H H 8.997 0.030 1 428 48 48 CYS HA H 3.977 0.030 1 429 48 48 CYS HB2 H 3.043 0.030 2 430 48 48 CYS HB3 H 2.834 0.030 2 431 48 48 CYS C C 179.761 0.300 1 432 48 48 CYS CA C 64.762 0.300 1 433 48 48 CYS CB C 29.981 0.300 1 434 48 48 CYS N N 123.085 0.300 1 435 49 49 LEU H H 8.131 0.030 1 436 49 49 LEU HA H 3.767 0.030 1 437 49 49 LEU HB2 H 1.727 0.030 2 438 49 49 LEU HB3 H 1.178 0.030 2 439 49 49 LEU HD1 H 0.375 0.030 1 440 49 49 LEU HD2 H 0.699 0.030 1 441 49 49 LEU HG H 1.424 0.030 1 442 49 49 LEU C C 177.446 0.300 1 443 49 49 LEU CA C 57.926 0.300 1 444 49 49 LEU CB C 41.352 0.300 1 445 49 49 LEU CD1 C 21.888 0.300 2 446 49 49 LEU CD2 C 26.031 0.300 2 447 49 49 LEU CG C 26.659 0.300 1 448 49 49 LEU N N 119.426 0.300 1 449 50 50 ARG H H 7.612 0.030 1 450 50 50 ARG HA H 3.861 0.030 1 451 50 50 ARG HB2 H 1.971 0.030 1 452 50 50 ARG HB3 H 1.971 0.030 1 453 50 50 ARG HD2 H 3.200 0.030 1 454 50 50 ARG HD3 H 3.200 0.030 1 455 50 50 ARG HG2 H 1.770 0.030 2 456 50 50 ARG HG3 H 1.558 0.030 2 457 50 50 ARG C C 179.403 0.300 1 458 50 50 ARG CA C 59.732 0.300 1 459 50 50 ARG CB C 29.726 0.300 1 460 50 50 ARG CD C 43.542 0.300 1 461 50 50 ARG CG C 27.213 0.300 1 462 50 50 ARG N N 118.242 0.300 1 463 51 51 ASP H H 8.283 0.030 1 464 51 51 ASP HA H 4.365 0.030 1 465 51 51 ASP HB2 H 2.712 0.030 2 466 51 51 ASP HB3 H 2.625 0.030 2 467 51 51 ASP C C 178.926 0.300 1 468 51 51 ASP CA C 57.339 0.300 1 469 51 51 ASP CB C 40.027 0.300 1 470 51 51 ASP N N 118.541 0.300 1 471 52 52 SER H H 7.918 0.030 1 472 52 52 SER HA H 4.249 0.030 1 473 52 52 SER HB2 H 3.814 0.030 2 474 52 52 SER HB3 H 3.945 0.030 2 475 52 52 SER C C 177.378 0.300 1 476 52 52 SER CA C 62.052 0.300 1 477 52 52 SER CB C 63.102 0.300 1 478 52 52 SER N N 116.504 0.300 1 479 53 53 LEU H H 8.110 0.030 1 480 53 53 LEU HA H 4.737 0.030 1 481 53 53 LEU HB2 H 1.740 0.030 2 482 53 53 LEU HB3 H 1.469 0.030 2 483 53 53 LEU HD1 H 0.758 0.030 1 484 53 53 LEU HD2 H 0.704 0.030 1 485 53 53 LEU HG H 1.736 0.030 1 486 53 53 LEU C C 178.305 0.300 1 487 53 53 LEU CA C 55.801 0.300 1 488 53 53 LEU CB C 41.385 0.300 1 489 53 53 LEU CD1 C 22.482 0.300 2 490 53 53 LEU CD2 C 26.054 0.300 2 491 53 53 LEU CG C 26.818 0.300 1 492 53 53 LEU N N 121.020 0.300 1 493 54 54 LYS H H 7.310 0.030 1 494 54 54 LYS HA H 4.045 0.030 1 495 54 54 LYS HB2 H 1.846 0.030 1 496 54 54 LYS HB3 H 1.846 0.030 1 497 54 54 LYS HD2 H 1.703 0.030 1 498 54 54 LYS HD3 H 1.703 0.030 1 499 54 54 LYS HE2 H 2.968 0.030 1 500 54 54 LYS HE3 H 2.968 0.030 1 501 54 54 LYS HG2 H 1.637 0.030 2 502 54 54 LYS HG3 H 1.430 0.030 2 503 54 54 LYS C C 177.495 0.300 1 504 54 54 LYS CA C 58.701 0.300 1 505 54 54 LYS CB C 32.433 0.300 1 506 54 54 LYS CD C 29.375 0.300 1 507 54 54 LYS CE C 42.122 0.300 1 508 54 54 LYS CG C 25.057 0.300 1 509 54 54 LYS N N 117.957 0.300 1 510 55 55 ASN H H 7.639 0.030 1 511 55 55 ASN HA H 4.796 0.030 1 512 55 55 ASN HB2 H 2.865 0.030 2 513 55 55 ASN HB3 H 2.773 0.030 2 514 55 55 ASN HD21 H 6.920 0.030 2 515 55 55 ASN HD22 H 7.671 0.030 2 516 55 55 ASN C C 174.540 0.300 1 517 55 55 ASN CA C 53.785 0.300 1 518 55 55 ASN CB C 40.264 0.300 1 519 55 55 ASN N N 114.654 0.300 1 520 55 55 ASN ND2 N 114.257 0.300 1 521 56 56 ALA H H 7.896 0.030 1 522 56 56 ALA HA H 4.490 0.030 1 523 56 56 ALA HB H 1.394 0.030 1 524 56 56 ALA C C 176.421 0.300 1 525 56 56 ALA CA C 52.389 0.300 1 526 56 56 ALA CB C 21.497 0.300 1 527 56 56 ALA N N 121.067 0.300 1 528 57 57 ASN HA H 4.847 0.030 1 529 57 57 ASN HB2 H 2.943 0.030 2 530 57 57 ASN HB3 H 3.009 0.030 2 531 57 57 ASN HD21 H 7.539 0.030 2 532 57 57 ASN HD22 H 6.819 0.030 2 533 57 57 ASN C C 174.417 0.300 1 534 57 57 ASN CA C 52.582 0.300 1 535 57 57 ASN CB C 37.629 0.300 1 536 57 57 ASN ND2 N 110.999 0.300 1 537 58 58 THR H H 7.128 0.030 1 538 58 58 THR HA H 4.753 0.030 1 539 58 58 THR HB H 3.633 0.030 1 540 58 58 THR HG2 H 0.956 0.030 1 541 58 58 THR C C 173.510 0.300 1 542 58 58 THR CA C 58.346 0.300 1 543 58 58 THR CB C 71.825 0.300 1 544 58 58 THR CG2 C 22.063 0.300 1 545 58 58 THR N N 106.800 0.300 1 546 59 59 CYS H H 9.055 0.030 1 547 59 59 CYS HA H 4.260 0.030 1 548 59 59 CYS HB2 H 3.064 0.030 2 549 59 59 CYS HB3 H 3.198 0.030 2 550 59 59 CYS C C 176.700 0.300 1 551 59 59 CYS CA C 57.337 0.300 1 552 59 59 CYS CB C 31.563 0.300 1 553 59 59 CYS N N 125.092 0.300 1 554 60 60 PRO HA H 4.201 0.030 1 555 60 60 PRO HB2 H 1.873 0.030 2 556 60 60 PRO HB3 H 2.359 0.030 2 557 60 60 PRO HD2 H 3.378 0.030 2 558 60 60 PRO HD3 H 3.741 0.030 2 559 60 60 PRO HG2 H 1.737 0.030 2 560 60 60 PRO HG3 H 1.185 0.030 2 561 60 60 PRO C C 177.030 0.300 1 562 60 60 PRO CA C 64.752 0.300 1 563 60 60 PRO CB C 32.590 0.300 1 564 60 60 PRO CD C 50.760 0.300 1 565 60 60 PRO CG C 26.662 0.300 1 566 61 61 THR H H 9.096 0.030 1 567 61 61 THR HA H 4.243 0.030 1 568 61 61 THR HB H 3.447 0.030 1 569 61 61 THR HG2 H 0.620 0.030 1 570 61 61 THR C C 177.795 0.300 1 571 61 61 THR CA C 65.382 0.300 1 572 61 61 THR CB C 69.302 0.300 1 573 61 61 THR CG2 C 21.216 0.300 1 574 61 61 THR N N 115.967 0.300 1 575 62 62 CYS H H 8.221 0.030 1 576 62 62 CYS HA H 4.932 0.030 1 577 62 62 CYS HB2 H 3.322 0.030 2 578 62 62 CYS HB3 H 2.453 0.030 2 579 62 62 CYS C C 175.932 0.300 1 580 62 62 CYS CA C 58.803 0.300 1 581 62 62 CYS CB C 32.601 0.300 1 582 62 62 CYS N N 120.307 0.300 1 583 63 63 ARG H H 8.297 0.030 1 584 63 63 ARG HA H 4.007 0.030 1 585 63 63 ARG HB2 H 2.046 0.030 2 586 63 63 ARG HB3 H 2.118 0.030 2 587 63 63 ARG HD2 H 3.136 0.030 2 588 63 63 ARG HD3 H 3.037 0.030 2 589 63 63 ARG HG2 H 1.512 0.030 2 590 63 63 ARG HG3 H 1.466 0.030 2 591 63 63 ARG C C 174.635 0.300 1 592 63 63 ARG CA C 57.982 0.300 1 593 63 63 ARG CB C 27.037 0.300 1 594 63 63 ARG CD C 43.023 0.300 1 595 63 63 ARG CG C 27.420 0.300 1 596 63 63 ARG N N 117.465 0.300 1 597 64 64 LYS H H 8.039 0.030 1 598 64 64 LYS HA H 4.259 0.030 1 599 64 64 LYS HB2 H 1.956 0.030 2 600 64 64 LYS HB3 H 1.810 0.030 2 601 64 64 LYS HD2 H 1.669 0.030 1 602 64 64 LYS HD3 H 1.669 0.030 1 603 64 64 LYS HE2 H 3.048 0.030 1 604 64 64 LYS HE3 H 3.048 0.030 1 605 64 64 LYS HG2 H 1.669 0.030 2 606 64 64 LYS HG3 H 1.512 0.030 2 607 64 64 LYS C C 176.811 0.300 1 608 64 64 LYS CA C 57.396 0.300 1 609 64 64 LYS CB C 33.741 0.300 1 610 64 64 LYS CD C 29.225 0.300 1 611 64 64 LYS CE C 42.239 0.300 1 612 64 64 LYS CG C 26.331 0.300 1 613 64 64 LYS N N 121.196 0.300 1 614 65 65 LYS H H 8.519 0.030 1 615 65 65 LYS HA H 4.224 0.030 1 616 65 65 LYS HB2 H 1.734 0.030 1 617 65 65 LYS HB3 H 1.734 0.030 1 618 65 65 LYS HD2 H 1.665 0.030 1 619 65 65 LYS HD3 H 1.665 0.030 1 620 65 65 LYS HE2 H 2.966 0.030 1 621 65 65 LYS HE3 H 2.966 0.030 1 622 65 65 LYS HG2 H 1.278 0.030 2 623 65 65 LYS HG3 H 1.441 0.030 2 624 65 65 LYS C C 176.730 0.300 1 625 65 65 LYS CA C 57.827 0.300 1 626 65 65 LYS CB C 32.417 0.300 1 627 65 65 LYS CD C 29.147 0.300 1 628 65 65 LYS CE C 42.156 0.300 1 629 65 65 LYS CG C 25.018 0.300 1 630 65 65 LYS N N 123.217 0.300 1 631 66 66 ILE H H 8.198 0.030 1 632 66 66 ILE HA H 4.451 0.030 1 633 66 66 ILE HB H 1.876 0.030 1 634 66 66 ILE HD1 H 0.803 0.030 1 635 66 66 ILE HG12 H 1.293 0.030 2 636 66 66 ILE HG13 H 0.973 0.030 2 637 66 66 ILE HG2 H 0.947 0.030 1 638 66 66 ILE C C 175.242 0.300 1 639 66 66 ILE CA C 60.065 0.300 1 640 66 66 ILE CB C 40.195 0.300 1 641 66 66 ILE CD1 C 13.670 0.300 1 642 66 66 ILE CG1 C 26.134 0.300 1 643 66 66 ILE CG2 C 18.289 0.300 1 644 66 66 ILE N N 122.001 0.300 1 645 67 67 ASN H H 8.711 0.030 1 646 67 67 ASN HA H 4.793 0.030 1 647 67 67 ASN HB2 H 2.772 0.030 2 648 67 67 ASN HB3 H 2.673 0.030 2 649 67 67 ASN HD21 H 6.857 0.030 2 650 67 67 ASN HD22 H 7.758 0.030 2 651 67 67 ASN C C 174.526 0.300 1 652 67 67 ASN CA C 52.850 0.300 1 653 67 67 ASN CB C 39.614 0.300 1 654 67 67 ASN N N 122.207 0.300 1 655 67 67 ASN ND2 N 113.603 0.300 1 656 68 68 HIS H H 8.328 0.030 1 657 68 68 HIS HA H 4.562 0.030 1 658 68 68 HIS HB2 H 3.014 0.030 1 659 68 68 HIS HB3 H 3.014 0.030 1 660 68 68 HIS HD2 H 6.962 0.030 1 661 68 68 HIS HE1 H 7.819 0.030 1 662 68 68 HIS C C 173.972 0.300 1 663 68 68 HIS CA C 56.460 0.300 1 664 68 68 HIS CB C 31.231 0.300 1 665 68 68 HIS CD2 C 120.297 0.300 1 666 68 68 HIS CE1 C 138.194 0.300 1 667 68 68 HIS N N 121.075 0.300 1 668 69 69 LYS H H 7.795 0.030 1 669 69 69 LYS HA H 4.093 0.030 1 670 69 69 LYS HB2 H 1.651 0.030 2 671 69 69 LYS HB3 H 1.769 0.030 2 672 69 69 LYS HD2 H 1.621 0.030 1 673 69 69 LYS HD3 H 1.621 0.030 1 674 69 69 LYS HE2 H 2.962 0.030 1 675 69 69 LYS HE3 H 2.962 0.030 1 676 69 69 LYS HG2 H 1.313 0.030 1 677 69 69 LYS HG3 H 1.313 0.030 1 678 69 69 LYS C C 181.082 0.300 1 679 69 69 LYS CA C 57.680 0.300 1 680 69 69 LYS CB C 33.791 0.300 1 681 69 69 LYS CD C 29.344 0.300 1 682 69 69 LYS CE C 42.353 0.300 1 683 69 69 LYS CG C 24.680 0.300 1 684 69 69 LYS N N 128.070 0.300 1 stop_ save_