data_11319 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the zinc finger BED domain of the zinc finger BED domain containing protein 1 ; _BMRB_accession_number 11319 _BMRB_flat_file_name bmr11319.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 Inoue 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" 385 "13C chemical shifts" 290 "15N chemical shifts" 66 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 zinc finger BED domain of the zinc finger BED domain containing protein 1 ; _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 Inoue 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 'Zinc finger BED domain containing protein 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'zinc finger BED domain' $entity_1 'ZINC ION' $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 'zinc finger BED domain' _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 73 _Mol_residue_sequence ; GSSGSSGSKVWKYFGFDTNA EGCILQWKKIYCRICMAQIA YSGNTSNLSYHLEKNHPEEF CEFVKSNSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 SER 9 LYS 10 VAL 11 TRP 12 LYS 13 TYR 14 PHE 15 GLY 16 PHE 17 ASP 18 THR 19 ASN 20 ALA 21 GLU 22 GLY 23 CYS 24 ILE 25 LEU 26 GLN 27 TRP 28 LYS 29 LYS 30 ILE 31 TYR 32 CYS 33 ARG 34 ILE 35 CYS 36 MET 37 ALA 38 GLN 39 ILE 40 ALA 41 TYR 42 SER 43 GLY 44 ASN 45 THR 46 SER 47 ASN 48 LEU 49 SER 50 TYR 51 HIS 52 LEU 53 GLU 54 LYS 55 ASN 56 HIS 57 PRO 58 GLU 59 GLU 60 PHE 61 CYS 62 GLU 63 PHE 64 VAL 65 LYS 66 SER 67 ASN 68 SER 69 GLY 70 PRO 71 SER 72 SER 73 GLY 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 2CT5 "Solution Structure Of The Zinc Finger Bed Domain Of The Zinc Finger Bed Domain Containing Protein 1" 100.00 73 100.00 100.00 1.76e-45 DBJ BAA34505 "KIAA0785 protein [Homo sapiens]" 83.56 706 98.36 100.00 1.96e-36 DBJ BAG09847 "zinc finger BED domain-containing protein 1 [synthetic construct]" 83.56 694 98.36 100.00 1.45e-36 EMBL CAA76545 "putative transposase Ac-like [Homo sapiens]" 83.56 694 98.36 100.00 1.45e-36 EMBL CAA76660 "putative transposase [Homo sapiens]" 83.56 694 98.36 100.00 1.45e-36 GB AAH15030 "ZBED1 protein [Homo sapiens]" 83.56 694 98.36 100.00 1.34e-36 GB ABM84566 "zinc finger, BED-type containing 1 [synthetic construct]" 83.56 694 98.36 100.00 1.34e-36 GB ABM86530 "zinc finger, BED-type containing 1 [synthetic construct]" 83.56 694 98.36 100.00 1.34e-36 GB AIC55542 "ZBED1, partial [synthetic construct]" 83.56 694 98.36 100.00 1.34e-36 GB EAW98691 "hCG1981838, isoform CRA_b [Homo sapiens]" 83.56 694 98.36 100.00 1.45e-36 REF NP_001164606 "zinc finger BED domain-containing protein 1 [Homo sapiens]" 83.56 694 98.36 100.00 1.45e-36 REF NP_001164607 "zinc finger BED domain-containing protein 1 [Homo sapiens]" 83.56 694 98.36 100.00 1.45e-36 REF NP_001253637 "zinc finger BED domain-containing protein 1 [Macaca mulatta]" 83.56 694 98.36 100.00 1.37e-36 REF NP_004720 "zinc finger BED domain-containing protein 1 [Homo sapiens]" 83.56 694 98.36 100.00 1.45e-36 REF XP_002831388 "PREDICTED: zinc finger BED domain-containing protein 1 [Pongo abelii]" 83.56 694 98.36 100.00 1.45e-36 SP O96006 "RecName: Full=Zinc finger BED domain-containing protein 1; AltName: Full=Putative Ac-like transposable element; AltName: Full=d" 83.56 694 98.36 100.00 1.45e-36 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 P040308-29 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.09mM zinc finger BED domain U-13C, {15N;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.01mM {ZNCl2;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.09 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 0.01 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 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 0.925 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 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 'zinc finger BED 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 8 8 SER HA H 4.590 0.030 1 2 8 8 SER HB2 H 4.172 0.030 2 3 8 8 SER HB3 H 3.988 0.030 2 4 8 8 SER CA C 58.891 0.300 1 5 8 8 SER CB C 63.761 0.300 1 6 9 9 LYS HA H 4.378 0.030 1 7 9 9 LYS HB2 H 2.040 0.030 2 8 9 9 LYS HB3 H 2.181 0.030 2 9 9 9 LYS HD2 H 1.741 0.030 2 10 9 9 LYS HD3 H 1.776 0.030 2 11 9 9 LYS HE2 H 3.039 0.030 1 12 9 9 LYS HE3 H 3.039 0.030 1 13 9 9 LYS HG2 H 1.617 0.030 2 14 9 9 LYS HG3 H 1.697 0.030 2 15 9 9 LYS C C 177.945 0.300 1 16 9 9 LYS CA C 58.054 0.300 1 17 9 9 LYS CB C 32.227 0.300 1 18 9 9 LYS CD C 28.958 0.300 1 19 9 9 LYS CE C 42.576 0.300 1 20 9 9 LYS CG C 25.641 0.300 1 21 10 10 VAL H H 8.244 0.030 1 22 10 10 VAL HA H 3.767 0.030 1 23 10 10 VAL HB H 1.899 0.030 1 24 10 10 VAL HG1 H 0.306 0.030 1 25 10 10 VAL HG2 H 0.542 0.030 1 26 10 10 VAL C C 175.900 0.300 1 27 10 10 VAL CA C 64.536 0.300 1 28 10 10 VAL CB C 31.691 0.300 1 29 10 10 VAL CG1 C 19.762 0.300 2 30 10 10 VAL CG2 C 22.169 0.300 2 31 10 10 VAL N N 119.080 0.300 1 32 11 11 TRP H H 7.149 0.030 1 33 11 11 TRP HA H 4.601 0.030 1 34 11 11 TRP HB2 H 3.660 0.030 2 35 11 11 TRP HB3 H 3.139 0.030 2 36 11 11 TRP HD1 H 7.492 0.030 1 37 11 11 TRP HE1 H 10.017 0.030 1 38 11 11 TRP HE3 H 7.549 0.030 1 39 11 11 TRP HH2 H 6.296 0.030 1 40 11 11 TRP HZ2 H 7.182 0.030 1 41 11 11 TRP HZ3 H 6.383 0.030 1 42 11 11 TRP C C 176.531 0.300 1 43 11 11 TRP CA C 58.785 0.300 1 44 11 11 TRP CB C 28.985 0.300 1 45 11 11 TRP CD1 C 127.260 0.300 1 46 11 11 TRP CE3 C 120.574 0.300 1 47 11 11 TRP CH2 C 124.535 0.300 1 48 11 11 TRP CZ2 C 114.419 0.300 1 49 11 11 TRP CZ3 C 121.430 0.300 1 50 11 11 TRP N N 118.280 0.300 1 51 11 11 TRP NE1 N 127.832 0.300 1 52 12 12 LYS H H 7.603 0.030 1 53 12 12 LYS HA H 4.012 0.030 1 54 12 12 LYS HB2 H 1.678 0.030 2 55 12 12 LYS HB3 H 1.223 0.030 2 56 12 12 LYS HD2 H 1.423 0.030 2 57 12 12 LYS HD3 H 1.507 0.030 2 58 12 12 LYS HE2 H 2.793 0.030 1 59 12 12 LYS HE3 H 2.793 0.030 1 60 12 12 LYS HG2 H 0.739 0.030 2 61 12 12 LYS HG3 H 0.905 0.030 2 62 12 12 LYS C C 177.503 0.300 1 63 12 12 LYS CA C 58.709 0.300 1 64 12 12 LYS CB C 32.224 0.300 1 65 12 12 LYS CD C 29.461 0.300 1 66 12 12 LYS CE C 42.134 0.300 1 67 12 12 LYS CG C 24.450 0.300 1 68 12 12 LYS N N 119.239 0.300 1 69 13 13 TYR H H 7.487 0.030 1 70 13 13 TYR HA H 4.243 0.030 1 71 13 13 TYR HB2 H 2.916 0.030 2 72 13 13 TYR HB3 H 2.478 0.030 2 73 13 13 TYR HD1 H 7.010 0.030 1 74 13 13 TYR HD2 H 7.010 0.030 1 75 13 13 TYR HE1 H 6.741 0.030 1 76 13 13 TYR HE2 H 6.741 0.030 1 77 13 13 TYR C C 172.463 0.300 1 78 13 13 TYR CA C 58.128 0.300 1 79 13 13 TYR CB C 39.647 0.300 1 80 13 13 TYR CD1 C 133.064 0.300 1 81 13 13 TYR CD2 C 133.064 0.300 1 82 13 13 TYR CE1 C 117.976 0.300 1 83 13 13 TYR CE2 C 117.976 0.300 1 84 13 13 TYR N N 114.509 0.300 1 85 14 14 PHE H H 7.556 0.030 1 86 14 14 PHE HA H 5.244 0.030 1 87 14 14 PHE HB2 H 2.446 0.030 2 88 14 14 PHE HB3 H 2.840 0.030 2 89 14 14 PHE HD1 H 7.087 0.030 1 90 14 14 PHE HD2 H 7.087 0.030 1 91 14 14 PHE HE1 H 6.932 0.030 1 92 14 14 PHE HE2 H 6.932 0.030 1 93 14 14 PHE HZ H 7.372 0.030 1 94 14 14 PHE C C 174.139 0.300 1 95 14 14 PHE CA C 56.876 0.300 1 96 14 14 PHE CB C 43.707 0.300 1 97 14 14 PHE CD1 C 132.561 0.300 1 98 14 14 PHE CD2 C 132.561 0.300 1 99 14 14 PHE CE1 C 130.237 0.300 1 100 14 14 PHE CE2 C 130.237 0.300 1 101 14 14 PHE CZ C 130.086 0.300 1 102 14 14 PHE N N 115.151 0.300 1 103 15 15 GLY H H 8.641 0.030 1 104 15 15 GLY HA2 H 4.400 0.030 2 105 15 15 GLY HA3 H 3.173 0.030 2 106 15 15 GLY C C 171.298 0.300 1 107 15 15 GLY CA C 43.837 0.300 1 108 15 15 GLY N N 107.272 0.300 1 109 16 16 PHE H H 8.014 0.030 1 110 16 16 PHE HA H 5.155 0.030 1 111 16 16 PHE HB2 H 3.057 0.030 2 112 16 16 PHE HB3 H 2.808 0.030 2 113 16 16 PHE HD1 H 6.992 0.030 1 114 16 16 PHE HD2 H 6.992 0.030 1 115 16 16 PHE HE1 H 6.906 0.030 1 116 16 16 PHE HE2 H 6.906 0.030 1 117 16 16 PHE HZ H 6.781 0.030 1 118 16 16 PHE C C 175.730 0.300 1 119 16 16 PHE CA C 56.444 0.300 1 120 16 16 PHE CB C 40.960 0.300 1 121 16 16 PHE CD1 C 132.058 0.300 1 122 16 16 PHE CD2 C 132.058 0.300 1 123 16 16 PHE CE1 C 131.039 0.300 1 124 16 16 PHE CE2 C 131.039 0.300 1 125 16 16 PHE CZ C 129.582 0.300 1 126 16 16 PHE N N 115.796 0.300 1 127 17 17 ASP H H 9.091 0.030 1 128 17 17 ASP HA H 4.817 0.030 1 129 17 17 ASP HB2 H 2.840 0.030 2 130 17 17 ASP HB3 H 2.631 0.030 2 131 17 17 ASP C C 176.422 0.300 1 132 17 17 ASP CA C 53.998 0.300 1 133 17 17 ASP CB C 42.216 0.300 1 134 17 17 ASP N N 122.514 0.300 1 135 18 18 THR H H 8.325 0.030 1 136 18 18 THR HA H 4.530 0.030 1 137 18 18 THR HB H 4.204 0.030 1 138 18 18 THR HG2 H 1.141 0.030 1 139 18 18 THR C C 174.698 0.300 1 140 18 18 THR CA C 61.523 0.300 1 141 18 18 THR CB C 70.198 0.300 1 142 18 18 THR CG2 C 21.414 0.300 1 143 18 18 THR N N 115.334 0.300 1 144 19 19 ASN H H 8.381 0.030 1 145 19 19 ASN HA H 4.709 0.030 1 146 19 19 ASN HB2 H 2.792 0.030 2 147 19 19 ASN HB3 H 2.960 0.030 2 148 19 19 ASN HD21 H 6.987 0.030 2 149 19 19 ASN HD22 H 7.669 0.030 2 150 19 19 ASN C C 175.596 0.300 1 151 19 19 ASN CA C 52.839 0.300 1 152 19 19 ASN CB C 38.992 0.300 1 153 19 19 ASN N N 120.140 0.300 1 154 19 19 ASN ND2 N 113.215 0.300 1 155 20 20 ALA H H 8.239 0.030 1 156 20 20 ALA HA H 4.251 0.030 1 157 20 20 ALA HB H 1.384 0.030 1 158 20 20 ALA C C 177.855 0.300 1 159 20 20 ALA CA C 53.136 0.300 1 160 20 20 ALA CB C 19.224 0.300 1 161 20 20 ALA N N 123.786 0.300 1 162 21 21 GLU H H 8.181 0.030 1 163 21 21 GLU HA H 4.220 0.030 1 164 21 21 GLU HB2 H 1.981 0.030 2 165 21 21 GLU HB3 H 2.075 0.030 2 166 21 21 GLU HG2 H 2.250 0.030 1 167 21 21 GLU HG3 H 2.250 0.030 1 168 21 21 GLU C C 177.079 0.300 1 169 21 21 GLU CA C 56.959 0.300 1 170 21 21 GLU CB C 29.846 0.300 1 171 21 21 GLU CG C 36.541 0.300 1 172 21 21 GLU N N 118.905 0.300 1 173 22 22 GLY H H 8.352 0.030 1 174 22 22 GLY HA2 H 4.070 0.030 2 175 22 22 GLY HA3 H 3.793 0.030 2 176 22 22 GLY C C 174.079 0.300 1 177 22 22 GLY CA C 45.404 0.300 1 178 22 22 GLY N N 109.492 0.300 1 179 23 23 CYS H H 7.978 0.030 1 180 23 23 CYS HA H 4.420 0.030 1 181 23 23 CYS HB2 H 2.837 0.030 2 182 23 23 CYS HB3 H 2.863 0.030 2 183 23 23 CYS C C 174.759 0.300 1 184 23 23 CYS CA C 58.555 0.300 1 185 23 23 CYS CB C 28.205 0.300 1 186 23 23 CYS N N 119.306 0.300 1 187 24 24 ILE H H 8.238 0.030 1 188 24 24 ILE HA H 3.968 0.030 1 189 24 24 ILE HB H 1.690 0.030 1 190 24 24 ILE HD1 H 0.604 0.030 1 191 24 24 ILE HG12 H 0.957 0.030 2 192 24 24 ILE HG13 H 1.337 0.030 2 193 24 24 ILE HG2 H 0.649 0.030 1 194 24 24 ILE C C 176.228 0.300 1 195 24 24 ILE CA C 62.151 0.300 1 196 24 24 ILE CB C 38.171 0.300 1 197 24 24 ILE CD1 C 13.124 0.300 1 198 24 24 ILE CG1 C 27.701 0.300 1 199 24 24 ILE CG2 C 17.358 0.300 1 200 24 24 ILE N N 123.506 0.300 1 201 25 25 LEU H H 8.188 0.030 1 202 25 25 LEU HA H 4.211 0.030 1 203 25 25 LEU HB2 H 1.391 0.030 2 204 25 25 LEU HB3 H 1.580 0.030 2 205 25 25 LEU HD1 H 0.839 0.030 1 206 25 25 LEU HD2 H 0.803 0.030 1 207 25 25 LEU HG H 1.528 0.030 1 208 25 25 LEU C C 177.079 0.300 1 209 25 25 LEU CA C 55.314 0.300 1 210 25 25 LEU CB C 42.273 0.300 1 211 25 25 LEU CD1 C 25.181 0.300 2 212 25 25 LEU CD2 C 23.249 0.300 2 213 25 25 LEU CG C 26.930 0.300 1 214 25 25 LEU N N 125.119 0.300 1 215 26 26 GLN H H 8.050 0.030 1 216 26 26 GLN HA H 4.124 0.030 1 217 26 26 GLN HB2 H 1.883 0.030 1 218 26 26 GLN HB3 H 1.883 0.030 1 219 26 26 GLN HE21 H 7.397 0.030 2 220 26 26 GLN HE22 H 6.835 0.030 2 221 26 26 GLN HG2 H 2.113 0.030 2 222 26 26 GLN HG3 H 2.022 0.030 2 223 26 26 GLN C C 175.305 0.300 1 224 26 26 GLN CA C 56.444 0.300 1 225 26 26 GLN CB C 29.026 0.300 1 226 26 26 GLN CG C 33.281 0.300 1 227 26 26 GLN N N 118.837 0.300 1 228 26 26 GLN NE2 N 112.258 0.300 1 229 27 27 TRP H H 7.882 0.030 1 230 27 27 TRP HA H 4.769 0.030 1 231 27 27 TRP HB2 H 3.353 0.030 2 232 27 27 TRP HB3 H 3.177 0.030 2 233 27 27 TRP HD1 H 7.086 0.030 1 234 27 27 TRP HE1 H 10.012 0.030 1 235 27 27 TRP HE3 H 7.476 0.030 1 236 27 27 TRP HH2 H 7.076 0.030 1 237 27 27 TRP HZ2 H 7.350 0.030 1 238 27 27 TRP HZ3 H 6.936 0.030 1 239 27 27 TRP C C 175.754 0.300 1 240 27 27 TRP CA C 56.647 0.300 1 241 27 27 TRP CB C 29.964 0.300 1 242 27 27 TRP CD1 C 126.794 0.300 1 243 27 27 TRP CE3 C 120.788 0.300 1 244 27 27 TRP CH2 C 124.515 0.300 1 245 27 27 TRP CZ2 C 114.660 0.300 1 246 27 27 TRP CZ3 C 122.000 0.300 1 247 27 27 TRP N N 118.967 0.300 1 248 27 27 TRP NE1 N 129.075 0.300 1 249 28 28 LYS H H 8.292 0.030 1 250 28 28 LYS HA H 4.504 0.030 1 251 28 28 LYS HB2 H 1.782 0.030 2 252 28 28 LYS HB3 H 1.921 0.030 2 253 28 28 LYS HD2 H 1.535 0.030 1 254 28 28 LYS HD3 H 1.535 0.030 1 255 28 28 LYS HE2 H 2.836 0.030 1 256 28 28 LYS HE3 H 2.836 0.030 1 257 28 28 LYS HG2 H 1.344 0.030 2 258 28 28 LYS HG3 H 1.389 0.030 2 259 28 28 LYS C C 176.374 0.300 1 260 28 28 LYS CA C 56.734 0.300 1 261 28 28 LYS CB C 33.660 0.300 1 262 28 28 LYS CD C 29.231 0.300 1 263 28 28 LYS CE C 42.300 0.300 1 264 28 28 LYS CG C 25.273 0.300 1 265 28 28 LYS N N 120.366 0.300 1 266 29 29 LYS H H 8.459 0.030 1 267 29 29 LYS HA H 4.709 0.030 1 268 29 29 LYS HB2 H 1.802 0.030 1 269 29 29 LYS HB3 H 1.802 0.030 1 270 29 29 LYS HD2 H 1.646 0.030 1 271 29 29 LYS HD3 H 1.646 0.030 1 272 29 29 LYS HE2 H 2.927 0.030 1 273 29 29 LYS HE3 H 2.927 0.030 1 274 29 29 LYS HG2 H 1.496 0.030 2 275 29 29 LYS HG3 H 1.360 0.030 2 276 29 29 LYS C C 175.050 0.300 1 277 29 29 LYS CA C 56.099 0.300 1 278 29 29 LYS CB C 34.239 0.300 1 279 29 29 LYS CD C 29.599 0.300 1 280 29 29 LYS CE C 42.024 0.300 1 281 29 29 LYS CG C 25.181 0.300 1 282 29 29 LYS N N 121.142 0.300 1 283 30 30 ILE H H 8.697 0.030 1 284 30 30 ILE HA H 4.892 0.030 1 285 30 30 ILE HB H 1.879 0.030 1 286 30 30 ILE HD1 H 0.465 0.030 1 287 30 30 ILE HG12 H 1.073 0.030 2 288 30 30 ILE HG13 H 1.174 0.030 2 289 30 30 ILE HG2 H 0.686 0.030 1 290 30 30 ILE C C 174.564 0.300 1 291 30 30 ILE CA C 59.168 0.300 1 292 30 30 ILE CB C 39.811 0.300 1 293 30 30 ILE CD1 C 14.122 0.300 1 294 30 30 ILE CG1 C 28.126 0.300 1 295 30 30 ILE CG2 C 18.739 0.300 1 296 30 30 ILE N N 122.761 0.300 1 297 31 31 TYR H H 8.654 0.030 1 298 31 31 TYR HA H 5.684 0.030 1 299 31 31 TYR HB2 H 2.671 0.030 2 300 31 31 TYR HB3 H 2.573 0.030 2 301 31 31 TYR HD1 H 6.845 0.030 1 302 31 31 TYR HD2 H 6.845 0.030 1 303 31 31 TYR HE1 H 6.613 0.030 1 304 31 31 TYR HE2 H 6.613 0.030 1 305 31 31 TYR C C 174.343 0.300 1 306 31 31 TYR CA C 54.859 0.300 1 307 31 31 TYR CB C 41.453 0.300 1 308 31 31 TYR CD1 C 134.148 0.300 1 309 31 31 TYR CD2 C 134.148 0.300 1 310 31 31 TYR CE1 C 117.263 0.300 1 311 31 31 TYR CE2 C 117.263 0.300 1 312 31 31 TYR N N 120.832 0.300 1 313 32 32 CYS H H 8.647 0.030 1 314 32 32 CYS HA H 4.280 0.030 1 315 32 32 CYS HB2 H 3.106 0.030 2 316 32 32 CYS HB3 H 2.352 0.030 2 317 32 32 CYS C C 177.516 0.300 1 318 32 32 CYS CA C 58.560 0.300 1 319 32 32 CYS CB C 30.707 0.300 1 320 32 32 CYS N N 123.748 0.300 1 321 33 33 ARG H H 9.220 0.030 1 322 33 33 ARG HA H 4.080 0.030 1 323 33 33 ARG HB2 H 1.315 0.030 2 324 33 33 ARG HB3 H 1.867 0.030 2 325 33 33 ARG HD2 H 2.898 0.030 2 326 33 33 ARG HD3 H 3.055 0.030 2 327 33 33 ARG HG2 H 1.497 0.030 2 328 33 33 ARG HG3 H 1.140 0.030 2 329 33 33 ARG C C 176.289 0.300 1 330 33 33 ARG CA C 58.656 0.300 1 331 33 33 ARG CB C 30.467 0.300 1 332 33 33 ARG CD C 43.036 0.300 1 333 33 33 ARG CG C 28.958 0.300 1 334 33 33 ARG N N 128.782 0.300 1 335 34 34 ILE H H 9.165 0.030 1 336 34 34 ILE HA H 3.783 0.030 1 337 34 34 ILE HB H 0.871 0.030 1 338 34 34 ILE HD1 H 0.263 0.030 1 339 34 34 ILE HG12 H 1.309 0.030 2 340 34 34 ILE HG13 H 0.814 0.030 2 341 34 34 ILE HG2 H 0.510 0.030 1 342 34 34 ILE C C 177.346 0.300 1 343 34 34 ILE CA C 64.006 0.300 1 344 34 34 ILE CB C 38.581 0.300 1 345 34 34 ILE CD1 C 13.871 0.300 1 346 34 34 ILE CG1 C 27.298 0.300 1 347 34 34 ILE CG2 C 18.186 0.300 1 348 34 34 ILE N N 121.581 0.300 1 349 35 35 CYS H H 8.421 0.030 1 350 35 35 CYS HA H 5.109 0.030 1 351 35 35 CYS HB2 H 3.511 0.030 2 352 35 35 CYS HB3 H 2.955 0.030 2 353 35 35 CYS C C 175.876 0.300 1 354 35 35 CYS CA C 58.469 0.300 1 355 35 35 CYS CB C 32.471 0.300 1 356 35 35 CYS N N 116.756 0.300 1 357 36 36 MET H H 8.121 0.030 1 358 36 36 MET HA H 4.673 0.030 1 359 36 36 MET HB2 H 2.247 0.030 2 360 36 36 MET HB3 H 2.469 0.030 2 361 36 36 MET HE H 1.821 0.030 1 362 36 36 MET HG2 H 2.284 0.030 2 363 36 36 MET HG3 H 2.602 0.030 2 364 36 36 MET C C 175.269 0.300 1 365 36 36 MET CA C 57.034 0.300 1 366 36 36 MET CB C 28.288 0.300 1 367 36 36 MET CE C 16.570 0.300 1 368 36 36 MET CG C 33.004 0.300 1 369 36 36 MET N N 118.284 0.300 1 370 37 37 ALA H H 8.341 0.030 1 371 37 37 ALA HA H 4.308 0.030 1 372 37 37 ALA HB H 1.353 0.030 1 373 37 37 ALA C C 176.801 0.300 1 374 37 37 ALA CA C 53.285 0.300 1 375 37 37 ALA CB C 20.420 0.300 1 376 37 37 ALA N N 123.674 0.300 1 377 38 38 GLN H H 8.463 0.030 1 378 38 38 GLN HA H 4.695 0.030 1 379 38 38 GLN HB2 H 1.963 0.030 1 380 38 38 GLN HB3 H 1.963 0.030 1 381 38 38 GLN HE21 H 7.643 0.030 2 382 38 38 GLN HE22 H 6.912 0.030 2 383 38 38 GLN HG2 H 2.185 0.030 2 384 38 38 GLN HG3 H 2.389 0.030 2 385 38 38 GLN C C 176.083 0.300 1 386 38 38 GLN CA C 55.395 0.300 1 387 38 38 GLN CB C 29.461 0.300 1 388 38 38 GLN CG C 34.239 0.300 1 389 38 38 GLN N N 119.649 0.300 1 390 38 38 GLN NE2 N 112.191 0.300 1 391 39 39 ILE H H 8.661 0.030 1 392 39 39 ILE HA H 4.263 0.030 1 393 39 39 ILE HB H 1.549 0.030 1 394 39 39 ILE HD1 H 0.183 0.030 1 395 39 39 ILE HG12 H 1.049 0.030 2 396 39 39 ILE HG13 H 1.243 0.030 2 397 39 39 ILE HG2 H 0.654 0.030 1 398 39 39 ILE C C 174.710 0.300 1 399 39 39 ILE CA C 58.194 0.300 1 400 39 39 ILE CB C 39.520 0.300 1 401 39 39 ILE CD1 C 11.008 0.300 1 402 39 39 ILE CG1 C 27.206 0.300 1 403 39 39 ILE CG2 C 17.450 0.300 1 404 39 39 ILE N N 126.044 0.300 1 405 40 40 ALA H H 8.479 0.030 1 406 40 40 ALA HA H 4.407 0.030 1 407 40 40 ALA HB H 1.309 0.030 1 408 40 40 ALA C C 176.496 0.300 1 409 40 40 ALA CA C 52.521 0.300 1 410 40 40 ALA CB C 18.145 0.300 1 411 40 40 ALA N N 129.317 0.300 1 412 41 41 TYR H H 8.394 0.030 1 413 41 41 TYR HA H 4.768 0.030 1 414 41 41 TYR HB2 H 2.847 0.030 2 415 41 41 TYR HB3 H 2.898 0.030 2 416 41 41 TYR HD1 H 7.109 0.030 1 417 41 41 TYR HD2 H 7.109 0.030 1 418 41 41 TYR HE1 H 6.725 0.030 1 419 41 41 TYR HE2 H 6.725 0.030 1 420 41 41 TYR C C 174.931 0.300 1 421 41 41 TYR CA C 57.635 0.300 1 422 41 41 TYR CB C 40.529 0.300 1 423 41 41 TYR CD1 C 133.316 0.300 1 424 41 41 TYR CD2 C 133.316 0.300 1 425 41 41 TYR CE1 C 118.228 0.300 1 426 41 41 TYR CE2 C 118.228 0.300 1 427 41 41 TYR N N 123.043 0.300 1 428 44 44 ASN HA H 5.065 0.030 1 429 44 44 ASN HB2 H 2.947 0.030 2 430 44 44 ASN HB3 H 2.751 0.030 2 431 44 44 ASN HD21 H 7.008 0.030 2 432 44 44 ASN HD22 H 7.591 0.030 2 433 44 44 ASN CA C 51.841 0.300 1 434 44 44 ASN CB C 39.520 0.300 1 435 44 44 ASN ND2 N 113.845 0.300 1 436 45 45 THR H H 7.271 0.030 1 437 45 45 THR HA H 4.370 0.030 1 438 45 45 THR HB H 4.027 0.030 1 439 45 45 THR HG2 H 1.346 0.030 1 440 45 45 THR CA C 68.941 0.300 1 441 45 45 THR CB C 64.163 0.300 1 442 45 45 THR CG2 C 22.420 0.300 1 443 45 45 THR N N 117.422 0.300 1 444 46 46 SER H H 8.816 0.030 1 445 46 46 SER N N 120.837 0.300 1 446 47 47 ASN HA H 4.543 0.030 1 447 47 47 ASN HB2 H 2.804 0.030 1 448 47 47 ASN HB3 H 2.804 0.030 1 449 47 47 ASN HD21 H 7.063 0.030 2 450 47 47 ASN HD22 H 7.561 0.030 2 451 47 47 ASN C C 177.507 0.300 1 452 47 47 ASN CA C 55.625 0.300 1 453 47 47 ASN CB C 37.774 0.300 1 454 47 47 ASN ND2 N 112.255 0.300 1 455 48 48 LEU H H 7.293 0.030 1 456 48 48 LEU HA H 3.490 0.030 1 457 48 48 LEU HB2 H 1.362 0.030 2 458 48 48 LEU HB3 H 0.452 0.030 2 459 48 48 LEU HD1 H -0.491 0.030 1 460 48 48 LEU HD2 H -0.119 0.030 1 461 48 48 LEU HG H 0.603 0.030 1 462 48 48 LEU C C 177.747 0.300 1 463 48 48 LEU CA C 57.725 0.300 1 464 48 48 LEU CB C 39.268 0.300 1 465 48 48 LEU CD1 C 22.420 0.300 2 466 48 48 LEU CD2 C 24.445 0.300 2 467 48 48 LEU CG C 27.450 0.300 1 468 48 48 LEU N N 121.205 0.300 1 469 49 49 SER H H 7.766 0.030 1 470 49 49 SER HA H 3.843 0.030 1 471 49 49 SER HB2 H 3.981 0.030 2 472 49 49 SER HB3 H 4.028 0.030 2 473 49 49 SER C C 176.665 0.300 1 474 49 49 SER CA C 62.151 0.300 1 475 49 49 SER CB C 62.357 0.300 1 476 49 49 SER N N 113.345 0.300 1 477 50 50 TYR H H 8.239 0.030 1 478 50 50 TYR HA H 4.208 0.030 1 479 50 50 TYR HB2 H 3.247 0.030 2 480 50 50 TYR HB3 H 2.892 0.030 2 481 50 50 TYR HD1 H 7.093 0.030 1 482 50 50 TYR HD2 H 7.093 0.030 1 483 50 50 TYR HE1 H 6.720 0.030 1 484 50 50 TYR HE2 H 6.720 0.030 1 485 50 50 TYR C C 176.726 0.300 1 486 50 50 TYR CA C 61.231 0.300 1 487 50 50 TYR CB C 38.245 0.300 1 488 50 50 TYR CD1 C 133.316 0.300 1 489 50 50 TYR CD2 C 133.316 0.300 1 490 50 50 TYR CE1 C 117.976 0.300 1 491 50 50 TYR CE2 C 117.976 0.300 1 492 50 50 TYR N N 120.557 0.300 1 493 51 51 HIS H H 7.530 0.030 1 494 51 51 HIS HA H 4.044 0.030 1 495 51 51 HIS HB2 H 3.405 0.030 2 496 51 51 HIS HB3 H 3.603 0.030 2 497 51 51 HIS HD2 H 7.302 0.030 1 498 51 51 HIS HE1 H 7.838 0.030 1 499 51 51 HIS C C 178.208 0.300 1 500 51 51 HIS CA C 60.558 0.300 1 501 51 51 HIS CB C 28.083 0.300 1 502 51 51 HIS CD2 C 126.731 0.300 1 503 51 51 HIS CE1 C 140.382 0.300 1 504 51 51 HIS N N 115.912 0.300 1 505 52 52 LEU H H 7.839 0.030 1 506 52 52 LEU HA H 3.913 0.030 1 507 52 52 LEU HB2 H 2.123 0.030 2 508 52 52 LEU HB3 H 1.558 0.030 2 509 52 52 LEU HD1 H 0.562 0.030 1 510 52 52 LEU HD2 H 0.594 0.030 1 511 52 52 LEU HG H 2.002 0.030 1 512 52 52 LEU C C 176.872 0.300 1 513 52 52 LEU CA C 58.225 0.300 1 514 52 52 LEU CB C 43.010 0.300 1 515 52 52 LEU CD1 C 25.734 0.300 2 516 52 52 LEU CD2 C 23.709 0.300 2 517 52 52 LEU CG C 26.378 0.300 1 518 52 52 LEU N N 117.090 0.300 1 519 53 53 GLU H H 8.290 0.030 1 520 53 53 GLU HA H 2.642 0.030 1 521 53 53 GLU HB2 H 1.345 0.030 2 522 53 53 GLU HB3 H 0.760 0.030 2 523 53 53 GLU HG2 H 1.264 0.030 2 524 53 53 GLU HG3 H 1.430 0.030 2 525 53 53 GLU C C 177.867 0.300 1 526 53 53 GLU CA C 59.612 0.300 1 527 53 53 GLU CB C 29.210 0.300 1 528 53 53 GLU CG C 35.496 0.300 1 529 53 53 GLU N N 119.297 0.300 1 530 54 54 LYS H H 7.521 0.030 1 531 54 54 LYS HA H 3.817 0.030 1 532 54 54 LYS HB2 H 1.233 0.030 2 533 54 54 LYS HB3 H 1.381 0.030 2 534 54 54 LYS HD2 H 1.342 0.030 2 535 54 54 LYS HD3 H 1.276 0.030 2 536 54 54 LYS HE2 H 2.660 0.030 2 537 54 54 LYS HE3 H 2.812 0.030 2 538 54 54 LYS HG2 H 0.834 0.030 1 539 54 54 LYS HG3 H 0.834 0.030 1 540 54 54 LYS C C 177.686 0.300 1 541 54 54 LYS CA C 56.145 0.300 1 542 54 54 LYS CB C 32.142 0.300 1 543 54 54 LYS CD C 27.666 0.300 1 544 54 54 LYS CE C 42.116 0.300 1 545 54 54 LYS CG C 23.617 0.300 1 546 54 54 LYS N N 111.434 0.300 1 547 55 55 ASN H H 7.126 0.030 1 548 55 55 ASN HA H 4.476 0.030 1 549 55 55 ASN HB2 H 1.602 0.030 2 550 55 55 ASN HB3 H 1.344 0.030 2 551 55 55 ASN HD21 H 6.928 0.030 2 552 55 55 ASN HD22 H 7.018 0.030 2 553 55 55 ASN C C 173.969 0.300 1 554 55 55 ASN CA C 54.219 0.300 1 555 55 55 ASN CB C 40.023 0.300 1 556 55 55 ASN N N 112.068 0.300 1 557 55 55 ASN ND2 N 115.020 0.300 1 558 56 56 HIS H H 8.261 0.030 1 559 56 56 HIS HA H 5.356 0.030 1 560 56 56 HIS HB2 H 3.112 0.030 2 561 56 56 HIS HB3 H 3.598 0.030 2 562 56 56 HIS HD2 H 6.475 0.030 1 563 56 56 HIS HE1 H 7.940 0.030 1 564 56 56 HIS C C 170.907 0.300 1 565 56 56 HIS CA C 51.846 0.300 1 566 56 56 HIS CB C 28.750 0.300 1 567 56 56 HIS CD2 C 127.166 0.300 1 568 56 56 HIS CE1 C 139.602 0.300 1 569 56 56 HIS N N 117.303 0.300 1 570 57 57 PRO HA H 4.235 0.030 1 571 57 57 PRO HB2 H 2.398 0.030 2 572 57 57 PRO HB3 H 2.032 0.030 2 573 57 57 PRO HD2 H 3.729 0.030 2 574 57 57 PRO HD3 H 3.161 0.030 2 575 57 57 PRO HG2 H 1.945 0.030 2 576 57 57 PRO HG3 H 2.068 0.030 2 577 57 57 PRO C C 179.722 0.300 1 578 57 57 PRO CA C 65.727 0.300 1 579 57 57 PRO CB C 31.770 0.300 1 580 57 57 PRO CD C 50.123 0.300 1 581 57 57 PRO CG C 27.666 0.300 1 582 58 58 GLU H H 9.003 0.030 1 583 58 58 GLU HA H 4.094 0.030 1 584 58 58 GLU HB2 H 1.955 0.030 2 585 58 58 GLU HB3 H 2.027 0.030 2 586 58 58 GLU HG2 H 2.331 0.030 1 587 58 58 GLU HG3 H 2.331 0.030 1 588 58 58 GLU C C 179.398 0.300 1 589 58 58 GLU CA C 60.395 0.300 1 590 58 58 GLU CB C 28.616 0.300 1 591 58 58 GLU CG C 36.754 0.300 1 592 58 58 GLU N N 119.304 0.300 1 593 59 59 GLU H H 8.740 0.030 1 594 59 59 GLU HA H 3.983 0.030 1 595 59 59 GLU HB2 H 1.943 0.030 2 596 59 59 GLU HB3 H 1.320 0.030 2 597 59 59 GLU HG2 H 2.154 0.030 2 598 59 59 GLU HG3 H 2.289 0.030 2 599 59 59 GLU C C 178.706 0.300 1 600 59 59 GLU CA C 61.034 0.300 1 601 59 59 GLU CB C 27.631 0.300 1 602 59 59 GLU CG C 37.790 0.300 1 603 59 59 GLU N N 123.148 0.300 1 604 60 60 PHE H H 8.976 0.030 1 605 60 60 PHE HA H 4.143 0.030 1 606 60 60 PHE HB2 H 3.082 0.030 2 607 60 60 PHE HB3 H 2.853 0.030 2 608 60 60 PHE HD1 H 7.213 0.030 1 609 60 60 PHE HD2 H 7.213 0.030 1 610 60 60 PHE HE1 H 7.360 0.030 1 611 60 60 PHE HE2 H 7.360 0.030 1 612 60 60 PHE HZ H 7.235 0.030 1 613 60 60 PHE C C 176.447 0.300 1 614 60 60 PHE CA C 61.968 0.300 1 615 60 60 PHE CB C 38.704 0.300 1 616 60 60 PHE CD1 C 131.304 0.300 1 617 60 60 PHE CD2 C 131.304 0.300 1 618 60 60 PHE CE1 C 131.796 0.300 1 619 60 60 PHE CE2 C 131.796 0.300 1 620 60 60 PHE CZ C 130.745 0.300 1 621 60 60 PHE N N 119.366 0.300 1 622 61 61 CYS H H 8.039 0.030 1 623 61 61 CYS HA H 3.926 0.030 1 624 61 61 CYS HB2 H 3.126 0.030 2 625 61 61 CYS HB3 H 2.970 0.030 2 626 61 61 CYS C C 176.956 0.300 1 627 61 61 CYS CA C 63.005 0.300 1 628 61 61 CYS CB C 26.319 0.300 1 629 61 61 CYS N N 116.025 0.300 1 630 62 62 GLU H H 7.484 0.030 1 631 62 62 GLU HA H 3.988 0.030 1 632 62 62 GLU HB2 H 2.157 0.030 2 633 62 62 GLU HB3 H 2.266 0.030 2 634 62 62 GLU HG2 H 2.248 0.030 2 635 62 62 GLU HG3 H 2.346 0.030 2 636 62 62 GLU C C 178.402 0.300 1 637 62 62 GLU CA C 59.115 0.300 1 638 62 62 GLU CB C 29.517 0.300 1 639 62 62 GLU CG C 36.226 0.300 1 640 62 62 GLU N N 119.516 0.300 1 641 63 63 PHE H H 8.532 0.030 1 642 63 63 PHE HA H 4.384 0.030 1 643 63 63 PHE HB2 H 3.231 0.030 1 644 63 63 PHE HB3 H 3.231 0.030 1 645 63 63 PHE HD1 H 7.106 0.030 1 646 63 63 PHE HD2 H 7.106 0.030 1 647 63 63 PHE HE1 H 7.282 0.030 1 648 63 63 PHE HE2 H 7.282 0.030 1 649 63 63 PHE HZ H 7.248 0.030 1 650 63 63 PHE C C 177.637 0.300 1 651 63 63 PHE CA C 60.125 0.300 1 652 63 63 PHE CB C 38.868 0.300 1 653 63 63 PHE CD1 C 132.058 0.300 1 654 63 63 PHE CD2 C 132.058 0.300 1 655 63 63 PHE CE1 C 131.053 0.300 1 656 63 63 PHE CE2 C 131.053 0.300 1 657 63 63 PHE CZ C 129.549 0.300 1 658 63 63 PHE N N 122.316 0.300 1 659 64 64 VAL H H 8.221 0.030 1 660 64 64 VAL HA H 3.215 0.030 1 661 64 64 VAL HB H 1.741 0.030 1 662 64 64 VAL HG1 H 0.604 0.030 1 663 64 64 VAL HG2 H 0.456 0.030 1 664 64 64 VAL C C 178.633 0.300 1 665 64 64 VAL CA C 65.231 0.300 1 666 64 64 VAL CB C 31.724 0.300 1 667 64 64 VAL CG1 C 21.144 0.300 2 668 64 64 VAL CG2 C 21.647 0.300 2 669 64 64 VAL N N 118.939 0.300 1 670 65 65 LYS H H 7.671 0.030 1 671 65 65 LYS HA H 4.015 0.030 1 672 65 65 LYS HB2 H 1.844 0.030 1 673 65 65 LYS HB3 H 1.844 0.030 1 674 65 65 LYS HD2 H 1.644 0.030 1 675 65 65 LYS HD3 H 1.644 0.030 1 676 65 65 LYS HE2 H 2.926 0.030 1 677 65 65 LYS HE3 H 2.926 0.030 1 678 65 65 LYS HG2 H 1.405 0.030 2 679 65 65 LYS HG3 H 1.535 0.030 2 680 65 65 LYS C C 178.269 0.300 1 681 65 65 LYS CA C 58.549 0.300 1 682 65 65 LYS CB C 32.429 0.300 1 683 65 65 LYS CD C 29.303 0.300 1 684 65 65 LYS CE C 42.134 0.300 1 685 65 65 LYS CG C 25.108 0.300 1 686 65 65 LYS N N 120.640 0.300 1 687 66 66 SER H H 8.015 0.030 1 688 66 66 SER HA H 4.354 0.030 1 689 66 66 SER HB2 H 3.956 0.030 1 690 66 66 SER HB3 H 3.956 0.030 1 691 66 66 SER C C 174.686 0.300 1 692 66 66 SER CA C 59.638 0.300 1 693 66 66 SER CB C 63.660 0.300 1 694 66 66 SER N N 115.004 0.300 1 695 67 67 ASN H H 7.886 0.030 1 696 67 67 ASN HA H 4.745 0.030 1 697 67 67 ASN HB2 H 2.668 0.030 2 698 67 67 ASN HB3 H 2.426 0.030 2 699 67 67 ASN HD21 H 6.456 0.030 2 700 67 67 ASN HD22 H 7.294 0.030 2 701 67 67 ASN C C 175.135 0.300 1 702 67 67 ASN CA C 53.401 0.300 1 703 67 67 ASN CB C 39.196 0.300 1 704 67 67 ASN N N 120.332 0.300 1 705 67 67 ASN ND2 N 113.349 0.300 1 706 68 68 SER H H 7.934 0.030 1 707 68 68 SER HA H 4.468 0.030 1 708 68 68 SER HB2 H 3.901 0.030 1 709 68 68 SER HB3 H 3.901 0.030 1 710 68 68 SER C C 174.358 0.300 1 711 68 68 SER CA C 58.641 0.300 1 712 68 68 SER CB C 64.008 0.300 1 713 68 68 SER N N 115.231 0.300 1 714 69 69 GLY H H 8.178 0.030 1 715 69 69 GLY HA2 H 4.109 0.030 2 716 69 69 GLY HA3 H 4.149 0.030 2 717 69 69 GLY C C 171.877 0.300 1 718 69 69 GLY CA C 44.681 0.300 1 719 69 69 GLY N N 110.480 0.300 1 720 70 70 PRO HA H 4.474 0.030 1 721 70 70 PRO HB2 H 1.978 0.030 2 722 70 70 PRO HB3 H 2.293 0.030 2 723 70 70 PRO HD2 H 3.621 0.030 1 724 70 70 PRO HD3 H 3.621 0.030 1 725 70 70 PRO HG2 H 2.012 0.030 1 726 70 70 PRO HG3 H 2.012 0.030 1 727 70 70 PRO C C 177.410 0.300 1 728 70 70 PRO CA C 63.310 0.300 1 729 70 70 PRO CB C 32.181 0.300 1 730 70 70 PRO CD C 49.847 0.300 1 731 70 70 PRO CG C 27.114 0.300 1 732 71 71 SER H H 8.529 0.030 1 733 71 71 SER C C 174.650 0.300 1 734 71 71 SER CA C 58.397 0.300 1 735 71 71 SER CB C 63.855 0.300 1 736 71 71 SER N N 116.390 0.300 1 737 72 72 SER H H 8.315 0.030 1 738 72 72 SER C C 173.937 0.300 1 739 72 72 SER CA C 58.411 0.300 1 740 72 72 SER CB C 64.169 0.300 1 741 72 72 SER N N 117.810 0.300 1 stop_ save_