data_11164 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the Zinc finger, C3HC4 type (RING finger) domain of TNF receptor-associated factor 3 ; _BMRB_accession_number 11164 _BMRB_flat_file_name bmr11164.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" 359 "13C chemical shifts" 270 "15N chemical shifts" 59 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-05 original author . stop_ _Original_release_date 2011-05-05 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the Zinc finger, C3HC4 type (RING finger) domain of TNF receptor-associated factor 3 ; _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 'TNF receptor-associated factor 3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RING-type, residues 8-66' $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 8-66' _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 66 _Mol_residue_sequence ; GSSGSSGFVKTVEDKYKCEK CHLVLCSPKQTECGHRFCES CMAALLSSSSPKCTACQESI VKDKVF ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PHE 9 VAL 10 LYS 11 THR 12 VAL 13 GLU 14 ASP 15 LYS 16 TYR 17 LYS 18 CYS 19 GLU 20 LYS 21 CYS 22 HIS 23 LEU 24 VAL 25 LEU 26 CYS 27 SER 28 PRO 29 LYS 30 GLN 31 THR 32 GLU 33 CYS 34 GLY 35 HIS 36 ARG 37 PHE 38 CYS 39 GLU 40 SER 41 CYS 42 MET 43 ALA 44 ALA 45 LEU 46 LEU 47 SER 48 SER 49 SER 50 SER 51 PRO 52 LYS 53 CYS 54 THR 55 ALA 56 CYS 57 GLN 58 GLU 59 SER 60 ILE 61 VAL 62 LYS 63 ASP 64 LYS 65 VAL 66 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 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 2ECY 'Solution Structure Of The Zinc Finger, C3hc4 Type (Ring Finger)" Domain Of Tnf Receptor-Associated Factor 3' 100.00 66 100.00 100.00 7.46e-38 DBJ BAH13910 "unnamed protein product [Homo sapiens]" 89.39 485 100.00 100.00 1.64e-31 DBJ BAI45792 "TNF receptor-associated factor 3 [synthetic construct]" 89.39 568 100.00 100.00 4.20e-31 EMBL CAD62311 "unnamed protein product [Homo sapiens]" 89.39 568 100.00 100.00 4.20e-31 GB AAA56753 "CD40 binding protein [Homo sapiens]" 89.39 567 100.00 100.00 4.33e-31 GB AAA65732 "LMP1 associated protein [Homo sapiens]" 89.39 568 100.00 100.00 4.20e-31 GB AAA68195 "CD40-associated protein [Homo sapiens]" 89.39 543 100.00 100.00 2.41e-31 GB AAC50112 "CD40 receptor associated factor 1 [Homo sapiens]" 89.39 568 100.00 100.00 4.24e-31 GB AAH75086 "TNF receptor-associated factor 3 [Homo sapiens]" 89.39 568 100.00 100.00 4.20e-31 REF NP_001186356 "TNF receptor-associated factor 3 isoform 3 [Homo sapiens]" 89.39 485 100.00 100.00 1.53e-31 REF NP_003291 "TNF receptor-associated factor 3 isoform 1 [Homo sapiens]" 89.39 568 100.00 100.00 4.20e-31 REF NP_663777 "TNF receptor-associated factor 3 isoform 1 [Homo sapiens]" 89.39 568 100.00 100.00 4.20e-31 REF NP_663778 "TNF receptor-associated factor 3 isoform 2 [Homo sapiens]" 89.39 543 100.00 100.00 2.48e-31 REF XP_004055781 "PREDICTED: TNF receptor-associated factor 3 isoform 1 [Gorilla gorilla gorilla]" 89.39 568 98.31 98.31 5.48e-30 SP Q13114 "RecName: Full=TNF receptor-associated factor 3; AltName: Full=CAP-1; AltName: Full=CD40 receptor-associated factor 1; Short=CRA" 89.39 568 100.00 100.00 4.20e-31 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . P060515-13 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.10mM {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 1.10 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 8-66' _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 4.452 0.030 1 2 6 6 SER HB2 H 3.861 0.030 1 3 6 6 SER HB3 H 3.861 0.030 1 4 6 6 SER C C 174.916 0.300 1 5 6 6 SER CA C 58.759 0.300 1 6 6 6 SER CB C 63.633 0.300 1 7 7 7 GLY H H 8.337 0.030 1 8 7 7 GLY HA2 H 3.895 0.030 2 9 7 7 GLY HA3 H 3.885 0.030 2 10 7 7 GLY C C 173.656 0.300 1 11 7 7 GLY CA C 45.210 0.300 1 12 7 7 GLY N N 110.455 0.300 1 13 8 8 PHE H H 8.060 0.030 1 14 8 8 PHE HA H 4.623 0.030 1 15 8 8 PHE HB2 H 3.025 0.030 2 16 8 8 PHE HB3 H 3.081 0.030 2 17 8 8 PHE HD1 H 7.222 0.030 1 18 8 8 PHE HD2 H 7.222 0.030 1 19 8 8 PHE HE1 H 7.258 0.030 1 20 8 8 PHE HE2 H 7.258 0.030 1 21 8 8 PHE HZ H 7.232 0.030 1 22 8 8 PHE C C 175.510 0.300 1 23 8 8 PHE CA C 57.766 0.300 1 24 8 8 PHE CB C 39.650 0.300 1 25 8 8 PHE CD1 C 131.723 0.300 1 26 8 8 PHE CD2 C 131.723 0.300 1 27 8 8 PHE CE1 C 130.903 0.300 1 28 8 8 PHE CE2 C 130.903 0.300 1 29 8 8 PHE CZ C 129.388 0.300 1 30 8 8 PHE N N 120.258 0.300 1 31 9 9 VAL H H 8.031 0.030 1 32 9 9 VAL HA H 4.030 0.030 1 33 9 9 VAL HB H 1.943 0.030 1 34 9 9 VAL HG1 H 0.862 0.030 1 35 9 9 VAL HG2 H 0.891 0.030 1 36 9 9 VAL C C 175.387 0.300 1 37 9 9 VAL CA C 62.030 0.300 1 38 9 9 VAL CB C 32.976 0.300 1 39 9 9 VAL CG1 C 21.045 0.300 2 40 9 9 VAL CG2 C 20.770 0.300 2 41 9 9 VAL N N 123.468 0.300 1 42 10 10 LYS H H 8.369 0.030 1 43 10 10 LYS HA H 4.327 0.030 1 44 10 10 LYS HB2 H 1.740 0.030 2 45 10 10 LYS HB3 H 1.816 0.030 2 46 10 10 LYS HD2 H 1.702 0.030 1 47 10 10 LYS HD3 H 1.702 0.030 1 48 10 10 LYS HE2 H 2.995 0.030 1 49 10 10 LYS HE3 H 2.995 0.030 1 50 10 10 LYS HG2 H 1.448 0.030 2 51 10 10 LYS HG3 H 1.395 0.030 2 52 10 10 LYS C C 176.518 0.300 1 53 10 10 LYS CA C 56.286 0.300 1 54 10 10 LYS CB C 33.190 0.300 1 55 10 10 LYS CD C 29.363 0.300 1 56 10 10 LYS CE C 42.133 0.300 1 57 10 10 LYS CG C 24.840 0.300 1 58 10 10 LYS N N 126.177 0.300 1 59 11 11 THR H H 8.295 0.030 1 60 11 11 THR HA H 4.344 0.030 1 61 11 11 THR HB H 4.187 0.030 1 62 11 11 THR HG2 H 1.176 0.030 1 63 11 11 THR C C 174.465 0.300 1 64 11 11 THR CA C 61.762 0.300 1 65 11 11 THR CB C 69.978 0.300 1 66 11 11 THR CG2 C 21.780 0.300 1 67 11 11 THR N N 117.141 0.300 1 68 12 12 VAL H H 8.221 0.030 1 69 12 12 VAL HA H 4.124 0.030 1 70 12 12 VAL HB H 2.057 0.030 1 71 12 12 VAL HG1 H 0.919 0.030 1 72 12 12 VAL HG2 H 0.918 0.030 1 73 12 12 VAL C C 175.903 0.300 1 74 12 12 VAL CA C 62.243 0.300 1 75 12 12 VAL CB C 32.889 0.300 1 76 12 12 VAL CG1 C 21.209 0.300 2 77 12 12 VAL CG2 C 21.208 0.300 2 78 12 12 VAL N N 122.431 0.300 1 79 13 13 GLU H H 8.466 0.030 1 80 13 13 GLU HA H 4.267 0.030 1 81 13 13 GLU HB2 H 2.017 0.030 2 82 13 13 GLU HB3 H 1.871 0.030 2 83 13 13 GLU HG2 H 2.227 0.030 1 84 13 13 GLU HG3 H 2.227 0.030 1 85 13 13 GLU C C 175.936 0.300 1 86 13 13 GLU CA C 56.407 0.300 1 87 13 13 GLU CB C 30.510 0.300 1 88 13 13 GLU CG C 36.370 0.300 1 89 13 13 GLU N N 124.654 0.300 1 90 14 14 ASP H H 8.293 0.030 1 91 14 14 ASP HA H 4.474 0.030 1 92 14 14 ASP HB2 H 2.524 0.030 1 93 14 14 ASP HB3 H 2.524 0.030 1 94 14 14 ASP C C 175.403 0.300 1 95 14 14 ASP CA C 54.416 0.300 1 96 14 14 ASP CB C 41.097 0.300 1 97 14 14 ASP N N 122.071 0.300 1 98 15 15 LYS H H 7.849 0.030 1 99 15 15 LYS HA H 4.322 0.030 1 100 15 15 LYS HB2 H 1.554 0.030 2 101 15 15 LYS HB3 H 1.505 0.030 2 102 15 15 LYS HD2 H 1.554 0.030 1 103 15 15 LYS HD3 H 1.554 0.030 1 104 15 15 LYS HE2 H 2.850 0.030 2 105 15 15 LYS HE3 H 2.907 0.030 2 106 15 15 LYS HG2 H 1.198 0.030 2 107 15 15 LYS HG3 H 1.263 0.030 2 108 15 15 LYS C C 175.691 0.300 1 109 15 15 LYS CA C 55.614 0.300 1 110 15 15 LYS CB C 34.009 0.300 1 111 15 15 LYS CD C 29.071 0.300 1 112 15 15 LYS CE C 41.929 0.300 1 113 15 15 LYS CG C 24.797 0.300 1 114 15 15 LYS N N 119.787 0.300 1 115 16 16 TYR H H 8.472 0.030 1 116 16 16 TYR HA H 4.657 0.030 1 117 16 16 TYR HB2 H 2.599 0.030 2 118 16 16 TYR HB3 H 3.030 0.030 2 119 16 16 TYR HD1 H 7.046 0.030 1 120 16 16 TYR HD2 H 7.046 0.030 1 121 16 16 TYR HE1 H 6.745 0.030 1 122 16 16 TYR HE2 H 6.745 0.030 1 123 16 16 TYR C C 174.395 0.300 1 124 16 16 TYR CA C 56.875 0.300 1 125 16 16 TYR CB C 40.949 0.300 1 126 16 16 TYR CD1 C 133.065 0.300 1 127 16 16 TYR CD2 C 133.065 0.300 1 128 16 16 TYR CE1 C 118.128 0.300 1 129 16 16 TYR CE2 C 118.128 0.300 1 130 16 16 TYR N N 120.060 0.300 1 131 17 17 LYS H H 8.232 0.030 1 132 17 17 LYS HA H 4.822 0.030 1 133 17 17 LYS HB2 H 1.493 0.030 2 134 17 17 LYS HB3 H 1.450 0.030 2 135 17 17 LYS HD2 H 1.525 0.030 2 136 17 17 LYS HD3 H 1.578 0.030 2 137 17 17 LYS HE2 H 2.850 0.030 1 138 17 17 LYS HE3 H 2.850 0.030 1 139 17 17 LYS HG2 H 1.217 0.030 2 140 17 17 LYS HG3 H 1.134 0.030 2 141 17 17 LYS C C 175.436 0.300 1 142 17 17 LYS CA C 54.740 0.300 1 143 17 17 LYS CB C 35.048 0.300 1 144 17 17 LYS CD C 29.410 0.300 1 145 17 17 LYS CE C 41.886 0.300 1 146 17 17 LYS CG C 24.888 0.300 1 147 17 17 LYS N N 120.264 0.300 1 148 18 18 CYS H H 8.691 0.030 1 149 18 18 CYS HA H 4.084 0.030 1 150 18 18 CYS HB2 H 2.867 0.030 2 151 18 18 CYS HB3 H 3.388 0.030 2 152 18 18 CYS C C 177.894 0.300 1 153 18 18 CYS CA C 59.262 0.300 1 154 18 18 CYS CB C 31.230 0.300 1 155 18 18 CYS N N 125.553 0.300 1 156 19 19 GLU H H 8.673 0.030 1 157 19 19 GLU HA H 3.950 0.030 1 158 19 19 GLU HB2 H 1.294 0.030 2 159 19 19 GLU HB3 H 1.755 0.030 2 160 19 19 GLU HG2 H 1.965 0.030 2 161 19 19 GLU HG3 H 2.366 0.030 2 162 19 19 GLU C C 175.995 0.300 1 163 19 19 GLU CA C 58.177 0.300 1 164 19 19 GLU CB C 28.995 0.300 1 165 19 19 GLU CG C 35.625 0.300 1 166 19 19 GLU N N 128.965 0.300 1 167 20 20 LYS H H 8.949 0.030 1 168 20 20 LYS HA H 4.586 0.030 1 169 20 20 LYS HB2 H 1.955 0.030 2 170 20 20 LYS HB3 H 2.893 0.030 2 171 20 20 LYS HD2 H 1.725 0.030 2 172 20 20 LYS HD3 H 1.852 0.030 2 173 20 20 LYS HE2 H 3.018 0.030 1 174 20 20 LYS HE3 H 3.018 0.030 1 175 20 20 LYS HG2 H 1.559 0.030 2 176 20 20 LYS HG3 H 1.428 0.030 2 177 20 20 LYS C C 176.349 0.300 1 178 20 20 LYS CA C 58.448 0.300 1 179 20 20 LYS CB C 33.228 0.300 1 180 20 20 LYS CD C 29.036 0.300 1 181 20 20 LYS CE C 42.626 0.300 1 182 20 20 LYS CG C 25.744 0.300 1 183 20 20 LYS N N 120.726 0.300 1 184 21 21 CYS H H 8.502 0.030 1 185 21 21 CYS HA H 4.702 0.030 1 186 21 21 CYS HB2 H 2.611 0.030 2 187 21 21 CYS HB3 H 3.218 0.030 2 188 21 21 CYS C C 176.355 0.300 1 189 21 21 CYS CA C 59.379 0.300 1 190 21 21 CYS CB C 32.178 0.300 1 191 21 21 CYS N N 118.544 0.300 1 192 22 22 HIS H H 7.590 0.030 1 193 22 22 HIS HA H 4.544 0.030 1 194 22 22 HIS HB2 H 3.345 0.030 2 195 22 22 HIS HB3 H 3.590 0.030 2 196 22 22 HIS HD2 H 7.049 0.030 1 197 22 22 HIS HE1 H 8.192 0.030 1 198 22 22 HIS C C 173.397 0.300 1 199 22 22 HIS CA C 57.207 0.300 1 200 22 22 HIS CB C 26.974 0.300 1 201 22 22 HIS CD2 C 119.192 0.300 1 202 22 22 HIS CE1 C 137.128 0.300 1 203 22 22 HIS N N 115.118 0.300 1 204 23 23 LEU H H 8.222 0.030 1 205 23 23 LEU HA H 4.454 0.030 1 206 23 23 LEU HB2 H 1.466 0.030 2 207 23 23 LEU HB3 H 1.970 0.030 2 208 23 23 LEU HD1 H 1.024 0.030 1 209 23 23 LEU HD2 H 0.960 0.030 1 210 23 23 LEU HG H 1.867 0.030 1 211 23 23 LEU C C 176.747 0.300 1 212 23 23 LEU CA C 55.480 0.300 1 213 23 23 LEU CB C 43.287 0.300 1 214 23 23 LEU CD1 C 24.825 0.300 2 215 23 23 LEU CD2 C 23.843 0.300 2 216 23 23 LEU CG C 26.795 0.300 1 217 23 23 LEU N N 122.402 0.300 1 218 24 24 VAL H H 8.211 0.030 1 219 24 24 VAL HA H 4.186 0.030 1 220 24 24 VAL HB H 1.957 0.030 1 221 24 24 VAL HG1 H 0.983 0.030 1 222 24 24 VAL HG2 H 0.860 0.030 1 223 24 24 VAL C C 175.985 0.300 1 224 24 24 VAL CA C 63.332 0.300 1 225 24 24 VAL CB C 31.538 0.300 1 226 24 24 VAL CG1 C 22.019 0.300 2 227 24 24 VAL CG2 C 21.586 0.300 2 228 24 24 VAL N N 122.135 0.300 1 229 25 25 LEU H H 8.459 0.030 1 230 25 25 LEU HA H 4.603 0.030 1 231 25 25 LEU HB2 H 1.351 0.030 2 232 25 25 LEU HB3 H 1.675 0.030 2 233 25 25 LEU HD1 H 0.722 0.030 1 234 25 25 LEU HD2 H 0.803 0.030 1 235 25 25 LEU HG H 1.544 0.030 1 236 25 25 LEU C C 176.310 0.300 1 237 25 25 LEU CA C 54.282 0.300 1 238 25 25 LEU CB C 44.532 0.300 1 239 25 25 LEU CD1 C 26.742 0.300 2 240 25 25 LEU CD2 C 24.023 0.300 2 241 25 25 LEU CG C 26.721 0.300 1 242 25 25 LEU N N 126.939 0.300 1 243 26 26 CYS H H 8.503 0.030 1 244 26 26 CYS HA H 4.697 0.030 1 245 26 26 CYS HB2 H 3.013 0.030 2 246 26 26 CYS HB3 H 2.938 0.030 2 247 26 26 CYS C C 174.829 0.300 1 248 26 26 CYS CA C 59.428 0.300 1 249 26 26 CYS CB C 28.401 0.300 1 250 26 26 CYS N N 119.343 0.300 1 251 27 27 SER HA H 4.693 0.030 1 252 27 27 SER HB2 H 3.938 0.030 2 253 27 27 SER HB3 H 3.853 0.030 2 254 27 27 SER CA C 60.357 0.300 1 255 27 27 SER CB C 63.062 0.300 1 256 28 28 PRO HA H 4.397 0.030 1 257 28 28 PRO HB2 H 1.848 0.030 1 258 28 28 PRO HB3 H 1.848 0.030 1 259 28 28 PRO HD2 H 3.727 0.030 2 260 28 28 PRO HD3 H 3.465 0.030 2 261 28 28 PRO HG2 H 1.748 0.030 2 262 28 28 PRO HG3 H 1.868 0.030 2 263 28 28 PRO C C 176.771 0.300 1 264 28 28 PRO CA C 63.094 0.300 1 265 28 28 PRO CB C 32.499 0.300 1 266 28 28 PRO CD C 50.290 0.300 1 267 28 28 PRO CG C 26.848 0.300 1 268 29 29 LYS H H 8.667 0.030 1 269 29 29 LYS HA H 4.557 0.030 1 270 29 29 LYS HB2 H 1.665 0.030 2 271 29 29 LYS HB3 H 1.791 0.030 2 272 29 29 LYS HD2 H 1.704 0.030 2 273 29 29 LYS HD3 H 1.617 0.030 2 274 29 29 LYS HE2 H 2.995 0.030 1 275 29 29 LYS HE3 H 2.995 0.030 1 276 29 29 LYS HG2 H 1.468 0.030 2 277 29 29 LYS HG3 H 1.400 0.030 2 278 29 29 LYS C C 175.386 0.300 1 279 29 29 LYS CA C 54.697 0.300 1 280 29 29 LYS CB C 33.187 0.300 1 281 29 29 LYS CD C 28.231 0.300 1 282 29 29 LYS CE C 42.216 0.300 1 283 29 29 LYS CG C 24.338 0.300 1 284 29 29 LYS N N 120.677 0.300 1 285 30 30 GLN H H 8.866 0.030 1 286 30 30 GLN HA H 5.167 0.030 1 287 30 30 GLN HB2 H 1.609 0.030 2 288 30 30 GLN HB3 H 1.795 0.030 2 289 30 30 GLN HE21 H 7.461 0.030 2 290 30 30 GLN HE22 H 6.754 0.030 2 291 30 30 GLN HG2 H 1.983 0.030 2 292 30 30 GLN HG3 H 2.288 0.030 2 293 30 30 GLN C C 175.878 0.300 1 294 30 30 GLN CA C 54.518 0.300 1 295 30 30 GLN CB C 32.076 0.300 1 296 30 30 GLN CG C 34.212 0.300 1 297 30 30 GLN N N 122.403 0.300 1 298 30 30 GLN NE2 N 111.702 0.300 1 299 31 31 THR H H 8.813 0.030 1 300 31 31 THR HA H 4.711 0.030 1 301 31 31 THR HB H 4.810 0.030 1 302 31 31 THR HG2 H 1.362 0.030 1 303 31 31 THR C C 177.729 0.300 1 304 31 31 THR CA C 60.528 0.300 1 305 31 31 THR CB C 70.324 0.300 1 306 31 31 THR CG2 C 23.935 0.300 1 307 31 31 THR N N 114.130 0.300 1 308 32 32 GLU H H 9.479 0.030 1 309 32 32 GLU HA H 4.113 0.030 1 310 32 32 GLU HB2 H 2.157 0.030 1 311 32 32 GLU HB3 H 2.157 0.030 1 312 32 32 GLU HG2 H 2.346 0.030 2 313 32 32 GLU HG3 H 2.427 0.030 2 314 32 32 GLU C C 177.241 0.300 1 315 32 32 GLU CA C 59.486 0.300 1 316 32 32 GLU CB C 29.819 0.300 1 317 32 32 GLU CG C 37.023 0.300 1 318 32 32 GLU N N 123.067 0.300 1 319 33 33 CYS H H 7.587 0.030 1 320 33 33 CYS HA H 4.565 0.030 1 321 33 33 CYS HB2 H 2.763 0.030 2 322 33 33 CYS HB3 H 3.365 0.030 2 323 33 33 CYS C C 174.911 0.300 1 324 33 33 CYS CA C 57.596 0.300 1 325 33 33 CYS CB C 29.934 0.300 1 326 33 33 CYS N N 112.802 0.300 1 327 34 34 GLY H H 7.797 0.030 1 328 34 34 GLY HA2 H 3.912 0.030 2 329 34 34 GLY HA3 H 3.560 0.030 2 330 34 34 GLY C C 173.905 0.300 1 331 34 34 GLY CA C 45.368 0.300 1 332 34 34 GLY N N 109.974 0.300 1 333 35 35 HIS H H 7.798 0.030 1 334 35 35 HIS HA H 4.752 0.030 1 335 35 35 HIS HB2 H 2.754 0.030 2 336 35 35 HIS HB3 H 3.318 0.030 2 337 35 35 HIS HD2 H 7.181 0.030 1 338 35 35 HIS HE1 H 7.743 0.030 1 339 35 35 HIS C C 173.067 0.300 1 340 35 35 HIS CA C 59.101 0.300 1 341 35 35 HIS CB C 32.971 0.300 1 342 35 35 HIS CD2 C 119.140 0.300 1 343 35 35 HIS CE1 C 138.489 0.300 1 344 35 35 HIS N N 121.453 0.300 1 345 36 36 ARG H H 8.634 0.030 1 346 36 36 ARG HA H 5.075 0.030 1 347 36 36 ARG HB2 H 1.321 0.030 2 348 36 36 ARG HB3 H 1.707 0.030 2 349 36 36 ARG HD2 H 2.603 0.030 2 350 36 36 ARG HD3 H 2.738 0.030 2 351 36 36 ARG HG2 H 1.417 0.030 2 352 36 36 ARG HG3 H 1.237 0.030 2 353 36 36 ARG C C 173.680 0.300 1 354 36 36 ARG CA C 55.199 0.300 1 355 36 36 ARG CB C 32.708 0.300 1 356 36 36 ARG CD C 43.349 0.300 1 357 36 36 ARG CG C 28.457 0.300 1 358 36 36 ARG N N 120.490 0.300 1 359 37 37 PHE H H 8.536 0.030 1 360 37 37 PHE HA H 5.944 0.030 1 361 37 37 PHE HB2 H 3.252 0.030 2 362 37 37 PHE HB3 H 2.552 0.030 2 363 37 37 PHE HD1 H 7.136 0.030 1 364 37 37 PHE HD2 H 7.136 0.030 1 365 37 37 PHE HE1 H 7.388 0.030 1 366 37 37 PHE HE2 H 7.388 0.030 1 367 37 37 PHE HZ H 7.843 0.030 1 368 37 37 PHE C C 175.599 0.300 1 369 37 37 PHE CA C 56.065 0.300 1 370 37 37 PHE CB C 45.275 0.300 1 371 37 37 PHE CD1 C 131.863 0.300 1 372 37 37 PHE CD2 C 131.863 0.300 1 373 37 37 PHE CE1 C 131.884 0.300 1 374 37 37 PHE CE2 C 131.884 0.300 1 375 37 37 PHE CZ C 129.824 0.300 1 376 37 37 PHE N N 116.539 0.300 1 377 38 38 CYS H H 9.819 0.030 1 378 38 38 CYS HA H 4.872 0.030 1 379 38 38 CYS HB2 H 3.005 0.030 2 380 38 38 CYS HB3 H 3.475 0.030 2 381 38 38 CYS C C 175.387 0.300 1 382 38 38 CYS CA C 57.736 0.300 1 383 38 38 CYS CB C 31.605 0.300 1 384 38 38 CYS N N 122.007 0.300 1 385 39 39 GLU H H 8.847 0.030 1 386 39 39 GLU HA H 3.913 0.030 1 387 39 39 GLU HB2 H 2.098 0.030 2 388 39 39 GLU HB3 H 2.149 0.030 2 389 39 39 GLU HG2 H 2.390 0.030 2 390 39 39 GLU HG3 H 2.321 0.030 2 391 39 39 GLU C C 179.271 0.300 1 392 39 39 GLU CA C 60.359 0.300 1 393 39 39 GLU CB C 29.647 0.300 1 394 39 39 GLU CG C 36.614 0.300 1 395 39 39 GLU N N 119.198 0.300 1 396 40 40 SER H H 8.368 0.030 1 397 40 40 SER HA H 4.328 0.030 1 398 40 40 SER HB2 H 4.050 0.030 1 399 40 40 SER HB3 H 4.050 0.030 1 400 40 40 SER C C 178.153 0.300 1 401 40 40 SER CA C 61.762 0.300 1 402 40 40 SER CB C 62.630 0.300 1 403 40 40 SER N N 115.493 0.300 1 404 41 41 CYS H H 9.286 0.030 1 405 41 41 CYS HA H 4.039 0.030 1 406 41 41 CYS HB2 H 2.856 0.030 2 407 41 41 CYS HB3 H 3.318 0.030 2 408 41 41 CYS C C 178.011 0.300 1 409 41 41 CYS CA C 65.469 0.300 1 410 41 41 CYS CB C 29.867 0.300 1 411 41 41 CYS N N 127.424 0.300 1 412 42 42 MET H H 8.897 0.030 1 413 42 42 MET HA H 4.167 0.030 1 414 42 42 MET HB2 H 1.941 0.030 2 415 42 42 MET HB3 H 2.177 0.030 2 416 42 42 MET HE H 1.755 0.030 1 417 42 42 MET HG2 H 2.360 0.030 2 418 42 42 MET HG3 H 2.530 0.030 2 419 42 42 MET C C 177.418 0.300 1 420 42 42 MET CA C 57.145 0.300 1 421 42 42 MET CB C 30.947 0.300 1 422 42 42 MET CE C 17.220 0.300 1 423 42 42 MET CG C 31.734 0.300 1 424 42 42 MET N N 118.944 0.300 1 425 43 43 ALA H H 7.966 0.030 1 426 43 43 ALA HA H 3.996 0.030 1 427 43 43 ALA HB H 1.483 0.030 1 428 43 43 ALA C C 180.756 0.300 1 429 43 43 ALA CA C 55.096 0.300 1 430 43 43 ALA CB C 17.625 0.300 1 431 43 43 ALA N N 120.130 0.300 1 432 44 44 ALA H H 7.589 0.030 1 433 44 44 ALA HA H 4.096 0.030 1 434 44 44 ALA HB H 1.495 0.030 1 435 44 44 ALA C C 181.445 0.300 1 436 44 44 ALA CA C 54.842 0.300 1 437 44 44 ALA CB C 17.803 0.300 1 438 44 44 ALA N N 120.542 0.300 1 439 45 45 LEU H H 8.324 0.030 1 440 45 45 LEU HA H 3.977 0.030 1 441 45 45 LEU HB2 H 1.033 0.030 2 442 45 45 LEU HB3 H 1.877 0.030 2 443 45 45 LEU HD1 H 0.201 0.030 1 444 45 45 LEU HD2 H 0.704 0.030 1 445 45 45 LEU HG H 1.639 0.030 1 446 45 45 LEU C C 180.469 0.300 1 447 45 45 LEU CA C 58.257 0.300 1 448 45 45 LEU CB C 41.796 0.300 1 449 45 45 LEU CD1 C 24.503 0.300 2 450 45 45 LEU CD2 C 22.909 0.300 2 451 45 45 LEU CG C 26.652 0.300 1 452 45 45 LEU N N 121.043 0.300 1 453 46 46 LEU H H 8.295 0.030 1 454 46 46 LEU HA H 3.963 0.030 1 455 46 46 LEU HB2 H 1.492 0.030 2 456 46 46 LEU HB3 H 1.813 0.030 2 457 46 46 LEU HD1 H 0.811 0.030 1 458 46 46 LEU HD2 H 0.705 0.030 1 459 46 46 LEU HG H 1.760 0.030 1 460 46 46 LEU C C 177.503 0.300 1 461 46 46 LEU CA C 56.700 0.300 1 462 46 46 LEU CB C 41.390 0.300 1 463 46 46 LEU CD1 C 25.792 0.300 2 464 46 46 LEU CD2 C 22.370 0.300 2 465 46 46 LEU CG C 26.610 0.300 1 466 46 46 LEU N N 116.671 0.300 1 467 47 47 SER H H 7.495 0.030 1 468 47 47 SER HA H 4.464 0.030 1 469 47 47 SER HB2 H 4.025 0.030 2 470 47 47 SER HB3 H 3.948 0.030 2 471 47 47 SER C C 174.369 0.300 1 472 47 47 SER CA C 58.950 0.300 1 473 47 47 SER CB C 63.646 0.300 1 474 47 47 SER N N 112.891 0.300 1 475 48 48 SER H H 7.320 0.030 1 476 48 48 SER HA H 4.539 0.030 1 477 48 48 SER HB2 H 3.873 0.030 2 478 48 48 SER HB3 H 4.050 0.030 2 479 48 48 SER C C 173.829 0.300 1 480 48 48 SER CA C 57.820 0.300 1 481 48 48 SER CB C 64.741 0.300 1 482 48 48 SER N N 117.270 0.300 1 483 49 49 SER H H 8.590 0.030 1 484 49 49 SER HA H 4.290 0.030 1 485 49 49 SER HB2 H 3.941 0.030 1 486 49 49 SER HB3 H 3.941 0.030 1 487 49 49 SER C C 175.092 0.300 1 488 49 49 SER CA C 60.320 0.300 1 489 49 49 SER CB C 63.058 0.300 1 490 49 49 SER N N 116.367 0.300 1 491 50 50 SER H H 8.137 0.030 1 492 50 50 SER HA H 4.658 0.030 1 493 50 50 SER HB2 H 3.801 0.030 2 494 50 50 SER HB3 H 3.637 0.030 2 495 50 50 SER C C 175.145 0.300 1 496 50 50 SER CA C 55.299 0.300 1 497 50 50 SER CB C 63.039 0.300 1 498 50 50 SER N N 114.984 0.300 1 499 51 51 PRO HA H 4.278 0.030 1 500 51 51 PRO HB2 H 1.959 0.030 2 501 51 51 PRO HB3 H 2.038 0.030 2 502 51 51 PRO HD2 H 3.536 0.030 2 503 51 51 PRO HD3 H 3.520 0.030 2 504 51 51 PRO HG2 H 2.028 0.030 2 505 51 51 PRO HG3 H 2.091 0.030 2 506 51 51 PRO C C 176.850 0.300 1 507 51 51 PRO CA C 63.231 0.300 1 508 51 51 PRO CB C 31.734 0.300 1 509 51 51 PRO CD C 50.101 0.300 1 510 51 51 PRO CG C 27.475 0.300 1 511 52 52 LYS H H 8.145 0.030 1 512 52 52 LYS HA H 4.721 0.030 1 513 52 52 LYS HB2 H 1.462 0.030 2 514 52 52 LYS HB3 H 1.359 0.030 2 515 52 52 LYS HD2 H 1.549 0.030 2 516 52 52 LYS HD3 H 1.633 0.030 2 517 52 52 LYS HE2 H 2.940 0.030 1 518 52 52 LYS HE3 H 2.940 0.030 1 519 52 52 LYS HG2 H 1.187 0.030 2 520 52 52 LYS HG3 H 1.310 0.030 2 521 52 52 LYS C C 174.591 0.300 1 522 52 52 LYS CA C 54.417 0.300 1 523 52 52 LYS CB C 36.399 0.300 1 524 52 52 LYS CD C 29.034 0.300 1 525 52 52 LYS CE C 42.234 0.300 1 526 52 52 LYS CG C 24.784 0.300 1 527 52 52 LYS N N 124.340 0.300 1 528 53 53 CYS H H 8.795 0.030 1 529 53 53 CYS HA H 3.841 0.030 1 530 53 53 CYS HB2 H 2.985 0.030 2 531 53 53 CYS HB3 H 3.152 0.030 2 532 53 53 CYS C C 178.008 0.300 1 533 53 53 CYS CA C 60.584 0.300 1 534 53 53 CYS CB C 30.982 0.300 1 535 53 53 CYS N N 123.681 0.300 1 536 54 54 THR H H 6.926 0.030 1 537 54 54 THR HA H 3.969 0.030 1 538 54 54 THR HB H 4.094 0.030 1 539 54 54 THR HG2 H 1.357 0.030 1 540 54 54 THR C C 174.684 0.300 1 541 54 54 THR CA C 65.315 0.300 1 542 54 54 THR CB C 68.935 0.300 1 543 54 54 THR CG2 C 23.084 0.300 1 544 54 54 THR N N 121.066 0.300 1 545 55 55 ALA H H 8.964 0.030 1 546 55 55 ALA HA H 4.332 0.030 1 547 55 55 ALA HB H 0.539 0.030 1 548 55 55 ALA C C 179.004 0.300 1 549 55 55 ALA CA C 53.979 0.300 1 550 55 55 ALA CB C 17.909 0.300 1 551 55 55 ALA N N 125.442 0.300 1 552 56 56 CYS H H 8.053 0.030 1 553 56 56 CYS HA H 5.035 0.030 1 554 56 56 CYS HB2 H 3.408 0.030 2 555 56 56 CYS HB3 H 2.626 0.030 2 556 56 56 CYS C C 175.759 0.300 1 557 56 56 CYS CA C 58.730 0.300 1 558 56 56 CYS CB C 32.857 0.300 1 559 56 56 CYS N N 116.614 0.300 1 560 57 57 GLN H H 8.086 0.030 1 561 57 57 GLN HA H 4.043 0.030 1 562 57 57 GLN HB2 H 2.427 0.030 2 563 57 57 GLN HB3 H 2.367 0.030 2 564 57 57 GLN HE21 H 7.238 0.030 2 565 57 57 GLN HE22 H 6.565 0.030 2 566 57 57 GLN HG2 H 2.302 0.030 2 567 57 57 GLN HG3 H 2.204 0.030 2 568 57 57 GLN C C 174.457 0.300 1 569 57 57 GLN CA C 58.102 0.300 1 570 57 57 GLN CB C 25.828 0.300 1 571 57 57 GLN CG C 34.026 0.300 1 572 57 57 GLN N N 116.071 0.300 1 573 57 57 GLN NE2 N 113.112 0.300 1 574 58 58 GLU H H 8.108 0.030 1 575 58 58 GLU HA H 4.298 0.030 1 576 58 58 GLU HB2 H 2.109 0.030 2 577 58 58 GLU HB3 H 2.178 0.030 2 578 58 58 GLU HG2 H 2.497 0.030 1 579 58 58 GLU HG3 H 2.497 0.030 1 580 58 58 GLU C C 177.159 0.300 1 581 58 58 GLU CA C 57.201 0.300 1 582 58 58 GLU CB C 30.452 0.300 1 583 58 58 GLU CG C 37.468 0.300 1 584 58 58 GLU N N 120.756 0.300 1 585 59 59 SER H H 8.835 0.030 1 586 59 59 SER HA H 4.470 0.030 1 587 59 59 SER HB2 H 3.849 0.030 1 588 59 59 SER HB3 H 3.849 0.030 1 589 59 59 SER C C 174.768 0.300 1 590 59 59 SER CA C 59.922 0.300 1 591 59 59 SER CB C 63.455 0.300 1 592 59 59 SER N N 118.332 0.300 1 593 60 60 ILE H H 7.744 0.030 1 594 60 60 ILE HA H 4.227 0.030 1 595 60 60 ILE HB H 1.468 0.030 1 596 60 60 ILE HD1 H 0.463 0.030 1 597 60 60 ILE HG12 H 1.352 0.030 2 598 60 60 ILE HG13 H 0.883 0.030 2 599 60 60 ILE HG2 H 0.750 0.030 1 600 60 60 ILE C C 175.027 0.300 1 601 60 60 ILE CA C 60.853 0.300 1 602 60 60 ILE CB C 39.335 0.300 1 603 60 60 ILE CD1 C 14.083 0.300 1 604 60 60 ILE CG1 C 27.217 0.300 1 605 60 60 ILE CG2 C 17.707 0.300 1 606 60 60 ILE N N 123.641 0.300 1 607 61 61 VAL H H 8.145 0.030 1 608 61 61 VAL HA H 4.131 0.030 1 609 61 61 VAL HB H 2.009 0.030 1 610 61 61 VAL HG1 H 0.949 0.030 1 611 61 61 VAL HG2 H 0.925 0.030 1 612 61 61 VAL C C 176.433 0.300 1 613 61 61 VAL CA C 61.536 0.300 1 614 61 61 VAL CB C 32.848 0.300 1 615 61 61 VAL CG1 C 21.548 0.300 2 616 61 61 VAL CG2 C 20.738 0.300 2 617 61 61 VAL N N 124.443 0.300 1 618 62 62 LYS H H 8.577 0.030 1 619 62 62 LYS HA H 4.019 0.030 1 620 62 62 LYS HB2 H 1.820 0.030 1 621 62 62 LYS HB3 H 1.820 0.030 1 622 62 62 LYS HD2 H 1.695 0.030 1 623 62 62 LYS HD3 H 1.695 0.030 1 624 62 62 LYS HE2 H 2.993 0.030 1 625 62 62 LYS HE3 H 2.993 0.030 1 626 62 62 LYS HG2 H 1.446 0.030 2 627 62 62 LYS HG3 H 1.395 0.030 2 628 62 62 LYS C C 176.658 0.300 1 629 62 62 LYS CA C 58.454 0.300 1 630 62 62 LYS CB C 32.907 0.300 1 631 62 62 LYS CD C 29.363 0.300 1 632 62 62 LYS CE C 42.298 0.300 1 633 62 62 LYS CG C 24.745 0.300 1 634 62 62 LYS N N 126.627 0.300 1 635 63 63 ASP H H 8.300 0.030 1 636 63 63 ASP HA H 4.548 0.030 1 637 63 63 ASP HB2 H 2.683 0.030 2 638 63 63 ASP HB3 H 2.625 0.030 2 639 63 63 ASP C C 175.948 0.300 1 640 63 63 ASP CA C 54.814 0.300 1 641 63 63 ASP CB C 40.638 0.300 1 642 63 63 ASP N N 118.039 0.300 1 643 64 64 LYS H H 7.977 0.030 1 644 64 64 LYS HA H 4.363 0.030 1 645 64 64 LYS HB2 H 1.709 0.030 2 646 64 64 LYS HB3 H 1.904 0.030 2 647 64 64 LYS HD2 H 1.662 0.030 2 648 64 64 LYS HD3 H 1.605 0.030 2 649 64 64 LYS HE2 H 2.939 0.030 1 650 64 64 LYS HE3 H 2.939 0.030 1 651 64 64 LYS HG2 H 1.366 0.030 2 652 64 64 LYS HG3 H 1.266 0.030 2 653 64 64 LYS C C 175.725 0.300 1 654 64 64 LYS CA C 55.515 0.300 1 655 64 64 LYS CB C 33.123 0.300 1 656 64 64 LYS CD C 28.839 0.300 1 657 64 64 LYS CE C 42.216 0.300 1 658 64 64 LYS CG C 24.717 0.300 1 659 64 64 LYS N N 119.644 0.300 1 660 65 65 VAL H H 7.576 0.030 1 661 65 65 VAL HA H 4.229 0.030 1 662 65 65 VAL HB H 1.994 0.030 1 663 65 65 VAL HG1 H 0.875 0.030 1 664 65 65 VAL HG2 H 0.889 0.030 1 665 65 65 VAL C C 175.090 0.300 1 666 65 65 VAL CA C 62.409 0.300 1 667 65 65 VAL CB C 32.738 0.300 1 668 65 65 VAL CG1 C 21.519 0.300 2 669 65 65 VAL CG2 C 21.357 0.300 2 670 65 65 VAL N N 121.417 0.300 1 671 66 66 PHE H H 8.207 0.030 1 672 66 66 PHE HA H 4.549 0.030 1 673 66 66 PHE HB2 H 2.963 0.030 2 674 66 66 PHE HB3 H 3.093 0.030 2 675 66 66 PHE HD1 H 7.239 0.030 1 676 66 66 PHE HD2 H 7.239 0.030 1 677 66 66 PHE HE1 H 7.343 0.030 1 678 66 66 PHE HE2 H 7.343 0.030 1 679 66 66 PHE HZ H 7.303 0.030 1 680 66 66 PHE C C 179.765 0.300 1 681 66 66 PHE CA C 58.859 0.300 1 682 66 66 PHE CB C 40.854 0.300 1 683 66 66 PHE CD1 C 132.286 0.300 1 684 66 66 PHE CD2 C 132.286 0.300 1 685 66 66 PHE CE1 C 131.585 0.300 1 686 66 66 PHE CE2 C 131.585 0.300 1 687 66 66 PHE CZ C 129.814 0.300 1 688 66 66 PHE N N 130.144 0.300 1 stop_ save_