data_11352 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of PHD domain in inhibitor of growth family, member 1-like ; _BMRB_accession_number 11352 _BMRB_flat_file_name bmr11352.str _Entry_type original _Submission_date 2010-09-07 _Accession_date 2010-09-07 _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 He F. . . 2 Muto Y. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Shirouzu M. . . 6 Terada T. . . 7 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 391 "13C chemical shifts" 293 "15N chemical shifts" 66 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-07 original author . stop_ _Original_release_date 2011-09-07 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of PHD domain in inhibitor of growth family, member 1-like' _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 He F. . . 2 Muto Y. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Shirouzu M. . . 6 Terada T. . . 7 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'inhibitor of growth family, member 1-like' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PHD 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 'PHD domain' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 71 _Mol_residue_sequence ; GSSGSSGEFAIDPNEPTYCL CNQVSYGEMIGCDNEQCPIE WFHFSCVSLTYKPKGKWYCP KCRGDSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLU 9 PHE 10 ALA 11 ILE 12 ASP 13 PRO 14 ASN 15 GLU 16 PRO 17 THR 18 TYR 19 CYS 20 LEU 21 CYS 22 ASN 23 GLN 24 VAL 25 SER 26 TYR 27 GLY 28 GLU 29 MET 30 ILE 31 GLY 32 CYS 33 ASP 34 ASN 35 GLU 36 GLN 37 CYS 38 PRO 39 ILE 40 GLU 41 TRP 42 PHE 43 HIS 44 PHE 45 SER 46 CYS 47 VAL 48 SER 49 LEU 50 THR 51 TYR 52 LYS 53 PRO 54 LYS 55 GLY 56 LYS 57 TRP 58 TYR 59 CYS 60 PRO 61 LYS 62 CYS 63 ARG 64 GLY 65 ASP 66 SER 67 GLY 68 PRO 69 SER 70 SER 71 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-05 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 1WES "Solution Structure Of Phd Domain In Inhibitor Of Growth Family, Member 1-Like" 100.00 71 100.00 100.00 1.45e-43 PDB 2G6Q "Crystal Structure Of Ing2 Phd Finger In Complex With H3k4me3 Peptide" 83.10 62 98.31 100.00 1.78e-35 GB ERE88163 "CDKN2A-interacting protein [Cricetulus griseus]" 81.69 905 100.00 100.00 5.65e-36 REF XP_004657164 "PREDICTED: inhibitor of growth protein 2 [Jaculus jaculus]" 83.10 284 98.31 100.00 1.91e-37 REF XP_006099431 "PREDICTED: inhibitor of growth protein 2 isoform X1 [Myotis lucifugus]" 83.10 293 98.31 100.00 1.34e-36 REF XP_006772779 "PREDICTED: inhibitor of growth protein 2 [Myotis davidii]" 83.10 249 98.31 100.00 1.01e-37 REF XP_008150109 "PREDICTED: inhibitor of growth protein 2 [Eptesicus fuscus]" 83.10 280 98.31 100.00 1.14e-37 REF XP_014320366 "PREDICTED: inhibitor of growth protein 2 isoform X2 [Myotis lucifugus]" 83.10 264 98.31 100.00 2.28e-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 'house mouse' 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P030408-27 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.8mM {U-15,13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 0.1mM {ZnCl2;} 1mM {d-DTT;} 0.02% {NaN3;} 90%H2O, 10%D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' ZnCl2 0.1 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % '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 20020425 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 0.863 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 293 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 'PHD 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 3 3 SER HA H 4.464 0.030 1 2 3 3 SER HB2 H 3.857 0.030 1 3 3 3 SER HB3 H 3.857 0.030 1 4 3 3 SER C C 173.771 0.300 1 5 3 3 SER CA C 58.270 0.300 1 6 3 3 SER CB C 64.336 0.300 1 7 4 4 GLY H H 7.995 0.030 1 8 4 4 GLY C C 178.968 0.300 1 9 4 4 GLY CA C 46.325 0.300 1 10 4 4 GLY N N 116.615 0.300 1 11 6 6 SER HA H 4.485 0.030 1 12 6 6 SER HB2 H 3.889 0.030 1 13 6 6 SER HB3 H 3.889 0.030 1 14 6 6 SER C C 175.026 0.300 1 15 6 6 SER CA C 58.664 0.300 1 16 6 6 SER CB C 63.747 0.300 1 17 7 7 GLY H H 8.372 0.030 1 18 7 7 GLY HA2 H 3.926 0.030 1 19 7 7 GLY HA3 H 3.926 0.030 1 20 7 7 GLY C C 174.054 0.300 1 21 7 7 GLY CA C 45.301 0.300 1 22 7 7 GLY N N 110.605 0.300 1 23 8 8 GLU H H 8.222 0.030 1 24 8 8 GLU HA H 4.158 0.030 1 25 8 8 GLU HB2 H 1.825 0.030 2 26 8 8 GLU HB3 H 1.786 0.030 2 27 8 8 GLU HG2 H 2.053 0.030 2 28 8 8 GLU HG3 H 1.972 0.030 2 29 8 8 GLU C C 176.074 0.300 1 30 8 8 GLU CA C 56.653 0.300 1 31 8 8 GLU CB C 30.153 0.300 1 32 8 8 GLU CG C 35.966 0.300 1 33 8 8 GLU N N 120.627 0.300 1 34 9 9 PHE H H 8.169 0.030 1 35 9 9 PHE HA H 4.607 0.030 1 36 9 9 PHE HB2 H 3.147 0.030 2 37 9 9 PHE HB3 H 2.925 0.030 2 38 9 9 PHE HD1 H 7.206 0.030 1 39 9 9 PHE HD2 H 7.206 0.030 1 40 9 9 PHE HE1 H 7.284 0.030 1 41 9 9 PHE HE2 H 7.284 0.030 1 42 9 9 PHE HZ H 7.227 0.030 1 43 9 9 PHE C C 175.064 0.300 1 44 9 9 PHE CA C 57.173 0.300 1 45 9 9 PHE CB C 39.706 0.300 1 46 9 9 PHE CD1 C 131.660 0.300 1 47 9 9 PHE CD2 C 131.660 0.300 1 48 9 9 PHE CE1 C 131.660 0.300 1 49 9 9 PHE CE2 C 131.660 0.300 1 50 9 9 PHE CZ C 129.848 0.300 1 51 9 9 PHE N N 120.179 0.300 1 52 10 10 ALA H H 8.120 0.030 1 53 10 10 ALA HA H 4.312 0.030 1 54 10 10 ALA HB H 1.307 0.030 1 55 10 10 ALA C C 176.972 0.300 1 56 10 10 ALA CA C 52.101 0.300 1 57 10 10 ALA CB C 19.423 0.300 1 58 10 10 ALA N N 125.758 0.300 1 59 11 11 ILE H H 8.105 0.030 1 60 11 11 ILE HA H 4.094 0.030 1 61 11 11 ILE HB H 1.782 0.030 1 62 11 11 ILE HD1 H 0.847 0.030 1 63 11 11 ILE HG12 H 1.447 0.030 2 64 11 11 ILE HG13 H 1.161 0.030 2 65 11 11 ILE HG2 H 0.847 0.030 1 66 11 11 ILE C C 175.751 0.300 1 67 11 11 ILE CA C 60.652 0.300 1 68 11 11 ILE CB C 39.073 0.300 1 69 11 11 ILE CD1 C 12.947 0.300 1 70 11 11 ILE CG1 C 27.304 0.300 1 71 11 11 ILE CG2 C 17.436 0.300 1 72 11 11 ILE N N 120.570 0.300 1 73 12 12 ASP H H 8.596 0.030 1 74 12 12 ASP HA H 4.855 0.030 1 75 12 12 ASP HB2 H 2.841 0.030 1 76 12 12 ASP HB3 H 2.841 0.030 1 77 12 12 ASP C C 175.126 0.300 1 78 12 12 ASP CA C 51.724 0.300 1 79 12 12 ASP CB C 41.521 0.300 1 80 12 12 ASP N N 126.985 0.300 1 81 13 13 PRO HA H 4.400 0.030 1 82 13 13 PRO HB2 H 2.242 0.030 2 83 13 13 PRO HB3 H 1.934 0.030 2 84 13 13 PRO HD2 H 3.846 0.030 1 85 13 13 PRO HD3 H 3.846 0.030 1 86 13 13 PRO HG2 H 1.934 0.030 1 87 13 13 PRO HG3 H 1.934 0.030 1 88 13 13 PRO C C 176.798 0.300 1 89 13 13 PRO CA C 63.558 0.300 1 90 13 13 PRO CB C 32.134 0.300 1 91 13 13 PRO CD C 50.867 0.300 1 92 13 13 PRO CG C 26.883 0.300 1 93 14 14 ASN H H 8.539 0.030 1 94 14 14 ASN HA H 4.675 0.030 1 95 14 14 ASN HB2 H 2.801 0.030 2 96 14 14 ASN HB3 H 2.702 0.030 2 97 14 14 ASN HD21 H 7.815 0.030 2 98 14 14 ASN HD22 H 6.938 0.030 2 99 14 14 ASN C C 174.847 0.300 1 100 14 14 ASN CA C 53.126 0.300 1 101 14 14 ASN CB C 39.001 0.300 1 102 14 14 ASN N N 117.415 0.300 1 103 14 14 ASN ND2 N 114.374 0.300 1 104 15 15 GLU H H 7.851 0.030 1 105 15 15 GLU HA H 4.523 0.030 1 106 15 15 GLU HB2 H 1.964 0.030 1 107 15 15 GLU HB3 H 1.964 0.030 1 108 15 15 GLU HG2 H 2.322 0.030 1 109 15 15 GLU HG3 H 2.322 0.030 1 110 15 15 GLU C C 173.939 0.300 1 111 15 15 GLU CA C 54.391 0.300 1 112 15 15 GLU CB C 30.064 0.300 1 113 15 15 GLU CG C 35.811 0.300 1 114 15 15 GLU N N 122.696 0.300 1 115 16 16 PRO HA H 4.291 0.030 1 116 16 16 PRO HB2 H 2.085 0.030 2 117 16 16 PRO HB3 H 1.545 0.030 2 118 16 16 PRO HD2 H 3.809 0.030 2 119 16 16 PRO HD3 H 3.675 0.030 2 120 16 16 PRO HG2 H 2.040 0.030 2 121 16 16 PRO HG3 H 1.978 0.030 2 122 16 16 PRO C C 175.179 0.300 1 123 16 16 PRO CA C 62.924 0.300 1 124 16 16 PRO CB C 32.134 0.300 1 125 16 16 PRO CD C 50.830 0.300 1 126 16 16 PRO CG C 27.536 0.300 1 127 17 17 THR H H 7.551 0.030 1 128 17 17 THR HA H 4.111 0.030 1 129 17 17 THR HB H 3.652 0.030 1 130 17 17 THR HG2 H 0.954 0.030 1 131 17 17 THR C C 172.963 0.300 1 132 17 17 THR CA C 59.533 0.300 1 133 17 17 THR CB C 70.892 0.300 1 134 17 17 THR CG2 C 21.935 0.300 1 135 17 17 THR N N 109.079 0.300 1 136 18 18 TYR H H 8.245 0.030 1 137 18 18 TYR HA H 5.086 0.030 1 138 18 18 TYR HB2 H 3.128 0.030 2 139 18 18 TYR HB3 H 1.989 0.030 2 140 18 18 TYR HD1 H 7.106 0.030 1 141 18 18 TYR HD2 H 7.106 0.030 1 142 18 18 TYR HE1 H 6.802 0.030 1 143 18 18 TYR HE2 H 6.802 0.030 1 144 18 18 TYR C C 174.113 0.300 1 145 18 18 TYR CA C 57.098 0.300 1 146 18 18 TYR CB C 43.718 0.300 1 147 18 18 TYR CD1 C 133.337 0.300 1 148 18 18 TYR CD2 C 133.337 0.300 1 149 18 18 TYR CE1 C 118.042 0.300 1 150 18 18 TYR CE2 C 118.042 0.300 1 151 18 18 TYR N N 118.312 0.300 1 152 19 19 CYS H H 7.129 0.030 1 153 19 19 CYS HA H 3.670 0.030 1 154 19 19 CYS HB2 H 4.679 0.030 2 155 19 19 CYS HB3 H 2.358 0.030 2 156 19 19 CYS C C 175.346 0.300 1 157 19 19 CYS CA C 59.253 0.300 1 158 19 19 CYS CB C 30.161 0.300 1 159 19 19 CYS N N 115.669 0.300 1 160 20 20 LEU H H 10.064 0.030 1 161 20 20 LEU HA H 4.403 0.030 1 162 20 20 LEU HB2 H 2.036 0.030 2 163 20 20 LEU HB3 H 1.892 0.030 2 164 20 20 LEU HD1 H 1.151 0.030 1 165 20 20 LEU HD2 H 1.151 0.030 1 166 20 20 LEU HG H 2.204 0.030 1 167 20 20 LEU C C 178.117 0.300 1 168 20 20 LEU CA C 57.049 0.300 1 169 20 20 LEU CB C 42.661 0.300 1 170 20 20 LEU CD1 C 25.661 0.300 2 171 20 20 LEU CD2 C 23.736 0.300 2 172 20 20 LEU CG C 27.593 0.300 1 173 20 20 LEU N N 127.053 0.300 1 174 21 21 CYS H H 7.651 0.030 1 175 21 21 CYS HA H 4.871 0.030 1 176 21 21 CYS HB2 H 3.319 0.030 2 177 21 21 CYS HB3 H 3.177 0.030 2 178 21 21 CYS C C 175.928 0.300 1 179 21 21 CYS CA C 57.912 0.300 1 180 21 21 CYS CB C 31.089 0.300 1 181 21 21 CYS N N 114.127 0.300 1 182 22 22 ASN H H 7.860 0.030 1 183 22 22 ASN HA H 4.531 0.030 1 184 22 22 ASN HB2 H 3.084 0.030 2 185 22 22 ASN HB3 H 2.777 0.030 2 186 22 22 ASN HD21 H 7.564 0.030 2 187 22 22 ASN HD22 H 6.864 0.030 2 188 22 22 ASN C C 173.526 0.300 1 189 22 22 ASN CA C 54.787 0.300 1 190 22 22 ASN CB C 37.526 0.300 1 191 22 22 ASN N N 120.974 0.300 1 192 22 22 ASN ND2 N 113.672 0.300 1 193 23 23 GLN H H 8.048 0.030 1 194 23 23 GLN HA H 4.992 0.030 1 195 23 23 GLN HB2 H 2.474 0.030 2 196 23 23 GLN HB3 H 2.301 0.030 2 197 23 23 GLN HE21 H 7.489 0.030 2 198 23 23 GLN HE22 H 6.861 0.030 2 199 23 23 GLN HG2 H 2.561 0.030 2 200 23 23 GLN HG3 H 2.499 0.030 2 201 23 23 GLN C C 176.109 0.300 1 202 23 23 GLN CA C 54.132 0.300 1 203 23 23 GLN CB C 32.956 0.300 1 204 23 23 GLN CG C 34.149 0.300 1 205 23 23 GLN N N 116.271 0.300 1 206 23 23 GLN NE2 N 113.245 0.300 1 207 24 24 VAL H H 8.184 0.030 1 208 24 24 VAL HA H 4.510 0.030 1 209 24 24 VAL HB H 2.552 0.030 1 210 24 24 VAL HG1 H 1.028 0.030 1 211 24 24 VAL HG2 H 0.997 0.030 1 212 24 24 VAL C C 176.286 0.300 1 213 24 24 VAL CA C 61.489 0.300 1 214 24 24 VAL CB C 33.082 0.300 1 215 24 24 VAL CG1 C 21.529 0.300 2 216 24 24 VAL CG2 C 17.864 0.300 2 217 24 24 VAL N N 113.346 0.300 1 218 25 25 SER H H 8.943 0.030 1 219 25 25 SER HA H 4.037 0.030 1 220 25 25 SER HB2 H 3.660 0.030 1 221 25 25 SER HB3 H 3.660 0.030 1 222 25 25 SER C C 173.919 0.300 1 223 25 25 SER CA C 59.564 0.300 1 224 25 25 SER CB C 63.281 0.300 1 225 25 25 SER N N 115.578 0.300 1 226 26 26 TYR H H 7.399 0.030 1 227 26 26 TYR HA H 4.598 0.030 1 228 26 26 TYR HB2 H 3.147 0.030 2 229 26 26 TYR HB3 H 2.940 0.030 2 230 26 26 TYR HD1 H 6.904 0.030 1 231 26 26 TYR HD2 H 6.904 0.030 1 232 26 26 TYR HE1 H 6.442 0.030 1 233 26 26 TYR HE2 H 6.442 0.030 1 234 26 26 TYR C C 174.565 0.300 1 235 26 26 TYR CA C 57.959 0.300 1 236 26 26 TYR CB C 39.443 0.300 1 237 26 26 TYR CD1 C 133.739 0.300 1 238 26 26 TYR CD2 C 133.739 0.300 1 239 26 26 TYR CE1 C 117.438 0.300 1 240 26 26 TYR CE2 C 117.438 0.300 1 241 26 26 TYR N N 120.154 0.300 1 242 27 27 GLY H H 8.669 0.030 1 243 27 27 GLY HA2 H 3.837 0.030 2 244 27 27 GLY HA3 H 3.741 0.030 2 245 27 27 GLY C C 173.168 0.300 1 246 27 27 GLY CA C 45.606 0.300 1 247 27 27 GLY N N 109.135 0.300 1 248 28 28 GLU H H 8.264 0.030 1 249 28 28 GLU HA H 3.984 0.030 1 250 28 28 GLU HB2 H 0.962 0.030 2 251 28 28 GLU HB3 H 0.501 0.030 2 252 28 28 GLU HG2 H 1.896 0.030 2 253 28 28 GLU HG3 H 1.746 0.030 2 254 28 28 GLU C C 175.904 0.300 1 255 28 28 GLU CA C 56.584 0.300 1 256 28 28 GLU CB C 28.310 0.300 1 257 28 28 GLU CG C 36.222 0.300 1 258 28 28 GLU N N 122.263 0.300 1 259 29 29 MET H H 8.313 0.030 1 260 29 29 MET HA H 5.517 0.030 1 261 29 29 MET HB2 H 1.729 0.030 2 262 29 29 MET HB3 H 1.607 0.030 2 263 29 29 MET HE H 1.047 0.030 1 264 29 29 MET HG2 H 2.174 0.030 2 265 29 29 MET HG3 H 2.100 0.030 2 266 29 29 MET C C 175.199 0.300 1 267 29 29 MET CA C 52.818 0.300 1 268 29 29 MET CB C 34.283 0.300 1 269 29 29 MET CE C 14.504 0.300 1 270 29 29 MET CG C 31.480 0.300 1 271 29 29 MET N N 124.023 0.300 1 272 30 30 ILE H H 9.689 0.030 1 273 30 30 ILE HA H 4.740 0.030 1 274 30 30 ILE HB H 1.311 0.030 1 275 30 30 ILE HD1 H -0.053 0.030 1 276 30 30 ILE HG12 H 1.201 0.030 2 277 30 30 ILE HG13 H 0.535 0.030 2 278 30 30 ILE HG2 H 0.097 0.030 1 279 30 30 ILE C C 172.070 0.300 1 280 30 30 ILE CA C 58.324 0.300 1 281 30 30 ILE CB C 42.381 0.300 1 282 30 30 ILE CD1 C 14.956 0.300 1 283 30 30 ILE CG1 C 28.721 0.300 1 284 30 30 ILE CG2 C 14.921 0.300 1 285 30 30 ILE N N 121.932 0.300 1 286 31 31 GLY H H 8.376 0.030 1 287 31 31 GLY HA2 H 4.757 0.030 2 288 31 31 GLY HA3 H 2.593 0.030 2 289 31 31 GLY C C 172.751 0.300 1 290 31 31 GLY CA C 43.244 0.300 1 291 31 31 GLY N N 116.293 0.300 1 292 32 32 CYS H H 8.339 0.030 1 293 32 32 CYS HA H 4.532 0.030 1 294 32 32 CYS HB2 H 3.134 0.030 2 295 32 32 CYS HB3 H 3.065 0.030 2 296 32 32 CYS C C 176.814 0.300 1 297 32 32 CYS CA C 60.206 0.300 1 298 32 32 CYS CB C 32.464 0.300 1 299 32 32 CYS N N 125.827 0.300 1 300 33 33 ASP H H 8.943 0.030 1 301 33 33 ASP HA H 4.670 0.030 1 302 33 33 ASP HB2 H 2.518 0.030 2 303 33 33 ASP HB3 H 1.776 0.030 2 304 33 33 ASP C C 176.303 0.300 1 305 33 33 ASP CA C 56.865 0.300 1 306 33 33 ASP CB C 40.667 0.300 1 307 33 33 ASP N N 126.721 0.300 1 308 34 34 ASN H H 8.830 0.030 1 309 34 34 ASN HA H 4.982 0.030 1 310 34 34 ASN HB2 H 3.964 0.030 2 311 34 34 ASN HB3 H 2.732 0.030 2 312 34 34 ASN HD21 H 9.307 0.030 2 313 34 34 ASN HD22 H 6.988 0.030 2 314 34 34 ASN C C 176.374 0.300 1 315 34 34 ASN CA C 53.080 0.300 1 316 34 34 ASN CB C 37.772 0.300 1 317 34 34 ASN N N 121.709 0.300 1 318 34 34 ASN ND2 N 116.537 0.300 1 319 35 35 GLU H H 9.482 0.030 1 320 35 35 GLU HA H 4.114 0.030 1 321 35 35 GLU HB2 H 2.102 0.030 1 322 35 35 GLU HB3 H 2.102 0.030 1 323 35 35 GLU HG2 H 2.379 0.030 1 324 35 35 GLU HG3 H 2.379 0.030 1 325 35 35 GLU C C 177.072 0.300 1 326 35 35 GLU CA C 59.085 0.300 1 327 35 35 GLU CB C 29.182 0.300 1 328 35 35 GLU CG C 36.518 0.300 1 329 35 35 GLU N N 130.706 0.300 1 330 36 36 GLN H H 7.500 0.030 1 331 36 36 GLN HA H 4.452 0.030 1 332 36 36 GLN HB2 H 2.384 0.030 2 333 36 36 GLN HB3 H 1.832 0.030 2 334 36 36 GLN HE21 H 7.614 0.030 2 335 36 36 GLN HE22 H 6.843 0.030 2 336 36 36 GLN HG2 H 2.329 0.030 1 337 36 36 GLN HG3 H 2.329 0.030 1 338 36 36 GLN C C 174.794 0.300 1 339 36 36 GLN CA C 54.507 0.300 1 340 36 36 GLN CB C 28.085 0.300 1 341 36 36 GLN CG C 34.347 0.300 1 342 36 36 GLN N N 114.949 0.300 1 343 36 36 GLN NE2 N 112.639 0.300 1 344 37 37 CYS H H 7.628 0.030 1 345 37 37 CYS HA H 4.107 0.030 1 346 37 37 CYS HB2 H 3.485 0.030 2 347 37 37 CYS HB3 H 2.827 0.030 2 348 37 37 CYS C C 176.207 0.300 1 349 37 37 CYS CA C 59.169 0.300 1 350 37 37 CYS CB C 31.075 0.300 1 351 37 37 CYS N N 126.364 0.300 1 352 38 38 PRO HA H 4.542 0.030 1 353 38 38 PRO HB2 H 2.327 0.030 2 354 38 38 PRO HB3 H 2.040 0.030 2 355 38 38 PRO HD2 H 4.369 0.030 2 356 38 38 PRO HD3 H 3.685 0.030 2 357 38 38 PRO HG2 H 2.103 0.030 2 358 38 38 PRO HG3 H 1.897 0.030 2 359 38 38 PRO C C 176.634 0.300 1 360 38 38 PRO CA C 63.888 0.300 1 361 38 38 PRO CB C 32.428 0.300 1 362 38 38 PRO CD C 51.590 0.300 1 363 38 38 PRO CG C 26.747 0.300 1 364 39 39 ILE H H 8.570 0.030 1 365 39 39 ILE HA H 4.143 0.030 1 366 39 39 ILE HB H 1.718 0.030 1 367 39 39 ILE HD1 H 0.928 0.030 1 368 39 39 ILE HG12 H 1.487 0.030 2 369 39 39 ILE HG13 H 1.060 0.030 2 370 39 39 ILE HG2 H 0.314 0.030 1 371 39 39 ILE C C 177.307 0.300 1 372 39 39 ILE CA C 62.975 0.300 1 373 39 39 ILE CB C 40.692 0.300 1 374 39 39 ILE CD1 C 13.323 0.300 1 375 39 39 ILE CG1 C 28.644 0.300 1 376 39 39 ILE CG2 C 18.456 0.300 1 377 39 39 ILE N N 124.059 0.300 1 378 40 40 GLU H H 9.586 0.030 1 379 40 40 GLU HA H 3.777 0.030 1 380 40 40 GLU HB2 H 2.412 0.030 2 381 40 40 GLU HB3 H 1.959 0.030 2 382 40 40 GLU HG2 H 1.929 0.030 2 383 40 40 GLU HG3 H 1.710 0.030 2 384 40 40 GLU C C 176.074 0.300 1 385 40 40 GLU CA C 62.820 0.300 1 386 40 40 GLU CB C 29.808 0.300 1 387 40 40 GLU CG C 36.650 0.300 1 388 40 40 GLU N N 120.289 0.300 1 389 41 41 TRP H H 7.808 0.030 1 390 41 41 TRP HA H 5.357 0.030 1 391 41 41 TRP HB2 H 2.617 0.030 2 392 41 41 TRP HB3 H 2.406 0.030 2 393 41 41 TRP HD1 H 6.904 0.030 1 394 41 41 TRP HE1 H 9.932 0.030 1 395 41 41 TRP HE3 H 7.022 0.030 1 396 41 41 TRP HH2 H 7.149 0.030 1 397 41 41 TRP HZ2 H 7.405 0.030 1 398 41 41 TRP HZ3 H 6.857 0.030 1 399 41 41 TRP C C 174.805 0.300 1 400 41 41 TRP CA C 55.947 0.300 1 401 41 41 TRP CB C 33.202 0.300 1 402 41 41 TRP CD1 C 127.232 0.300 1 403 41 41 TRP CE3 C 119.585 0.300 1 404 41 41 TRP CH2 C 124.616 0.300 1 405 41 41 TRP CZ2 C 114.621 0.300 1 406 41 41 TRP CZ3 C 121.866 0.300 1 407 41 41 TRP N N 119.883 0.300 1 408 41 41 TRP NE1 N 128.586 0.300 1 409 42 42 PHE H H 9.184 0.030 1 410 42 42 PHE HA H 4.832 0.030 1 411 42 42 PHE HB2 H 3.215 0.030 2 412 42 42 PHE HB3 H 2.809 0.030 2 413 42 42 PHE HD1 H 7.657 0.030 1 414 42 42 PHE HD2 H 7.657 0.030 1 415 42 42 PHE HE1 H 7.247 0.030 1 416 42 42 PHE HE2 H 7.247 0.030 1 417 42 42 PHE HZ H 8.001 0.030 1 418 42 42 PHE C C 176.004 0.300 1 419 42 42 PHE CA C 56.126 0.300 1 420 42 42 PHE CB C 42.628 0.300 1 421 42 42 PHE CD1 C 132.770 0.300 1 422 42 42 PHE CD2 C 132.770 0.300 1 423 42 42 PHE CE1 C 131.648 0.300 1 424 42 42 PHE CE2 C 131.648 0.300 1 425 42 42 PHE CZ C 132.030 0.300 1 426 42 42 PHE N N 117.018 0.300 1 427 43 43 HIS H H 9.423 0.030 1 428 43 43 HIS HA H 4.999 0.030 1 429 43 43 HIS HB2 H 3.946 0.030 2 430 43 43 HIS HB3 H 3.616 0.030 2 431 43 43 HIS HD2 H 6.911 0.030 1 432 43 43 HIS HE1 H 7.415 0.030 1 433 43 43 HIS C C 178.041 0.300 1 434 43 43 HIS CA C 57.957 0.300 1 435 43 43 HIS CB C 30.769 0.300 1 436 43 43 HIS CD2 C 119.048 0.300 1 437 43 43 HIS CE1 C 137.697 0.300 1 438 43 43 HIS N N 122.955 0.300 1 439 44 44 PHE H H 8.478 0.030 1 440 44 44 PHE HA H 3.935 0.030 1 441 44 44 PHE HB2 H 3.337 0.030 2 442 44 44 PHE HB3 H 3.095 0.030 2 443 44 44 PHE HD1 H 6.657 0.030 1 444 44 44 PHE HD2 H 6.657 0.030 1 445 44 44 PHE HE1 H 6.868 0.030 1 446 44 44 PHE HE2 H 6.868 0.030 1 447 44 44 PHE HZ H 6.914 0.030 1 448 44 44 PHE C C 178.743 0.300 1 449 44 44 PHE CA C 60.780 0.300 1 450 44 44 PHE CB C 37.745 0.300 1 451 44 44 PHE CD1 C 129.312 0.300 1 452 44 44 PHE CD2 C 129.312 0.300 1 453 44 44 PHE CE1 C 131.056 0.300 1 454 44 44 PHE CE2 C 131.056 0.300 1 455 44 44 PHE CZ C 128.373 0.300 1 456 44 44 PHE N N 124.293 0.300 1 457 45 45 SER H H 8.983 0.030 1 458 45 45 SER HA H 4.334 0.030 1 459 45 45 SER HB2 H 4.099 0.030 2 460 45 45 SER HB3 H 4.060 0.030 2 461 45 45 SER C C 178.481 0.300 1 462 45 45 SER CA C 61.372 0.300 1 463 45 45 SER CB C 62.288 0.300 1 464 45 45 SER N N 109.760 0.300 1 465 46 46 CYS H H 7.402 0.030 1 466 46 46 CYS HA H 4.316 0.030 1 467 46 46 CYS HB2 H 3.355 0.030 2 468 46 46 CYS HB3 H 3.276 0.030 2 469 46 46 CYS C C 176.861 0.300 1 470 46 46 CYS CA C 62.593 0.300 1 471 46 46 CYS CB C 30.455 0.300 1 472 46 46 CYS N N 121.851 0.300 1 473 47 47 VAL H H 7.383 0.030 1 474 47 47 VAL HA H 4.746 0.030 1 475 47 47 VAL HB H 2.710 0.030 1 476 47 47 VAL HG1 H 0.986 0.030 1 477 47 47 VAL HG2 H 0.797 0.030 1 478 47 47 VAL C C 174.219 0.300 1 479 47 47 VAL CA C 59.902 0.300 1 480 47 47 VAL CB C 31.139 0.300 1 481 47 47 VAL CG1 C 22.653 0.300 2 482 47 47 VAL CG2 C 17.864 0.300 2 483 47 47 VAL N N 107.748 0.300 1 484 48 48 SER H H 7.714 0.030 1 485 48 48 SER HA H 4.007 0.030 1 486 48 48 SER HB2 H 4.104 0.030 2 487 48 48 SER HB3 H 4.016 0.030 2 488 48 48 SER C C 173.767 0.300 1 489 48 48 SER CA C 59.085 0.300 1 490 48 48 SER CB C 61.045 0.300 1 491 48 48 SER N N 111.948 0.300 1 492 49 49 LEU H H 7.957 0.030 1 493 49 49 LEU HA H 4.552 0.030 1 494 49 49 LEU HB2 H 0.850 0.030 2 495 49 49 LEU HB3 H 0.538 0.030 2 496 49 49 LEU HD1 H -0.280 0.030 1 497 49 49 LEU HD2 H 0.519 0.030 1 498 49 49 LEU HG H 1.243 0.030 1 499 49 49 LEU C C 177.007 0.300 1 500 49 49 LEU CA C 53.430 0.300 1 501 49 49 LEU CB C 44.226 0.300 1 502 49 49 LEU CD1 C 25.562 0.300 2 503 49 49 LEU CD2 C 22.745 0.300 2 504 49 49 LEU CG C 25.825 0.300 1 505 49 49 LEU N N 119.159 0.300 1 506 50 50 THR H H 8.460 0.030 1 507 50 50 THR HA H 4.314 0.030 1 508 50 50 THR HB H 4.111 0.030 1 509 50 50 THR HG2 H 0.964 0.030 1 510 50 50 THR C C 173.385 0.300 1 511 50 50 THR CA C 62.205 0.300 1 512 50 50 THR CB C 69.762 0.300 1 513 50 50 THR CG2 C 21.614 0.300 1 514 50 50 THR N N 112.073 0.300 1 515 51 51 TYR H H 7.342 0.030 1 516 51 51 TYR HA H 4.714 0.030 1 517 51 51 TYR HB2 H 3.089 0.030 2 518 51 51 TYR HB3 H 2.736 0.030 2 519 51 51 TYR HD1 H 7.020 0.030 1 520 51 51 TYR HD2 H 7.020 0.030 1 521 51 51 TYR HE1 H 6.782 0.030 1 522 51 51 TYR HE2 H 6.782 0.030 1 523 51 51 TYR C C 173.579 0.300 1 524 51 51 TYR CA C 55.839 0.300 1 525 51 51 TYR CB C 40.260 0.300 1 526 51 51 TYR CD1 C 134.142 0.300 1 527 51 51 TYR CD2 C 134.142 0.300 1 528 51 51 TYR CE1 C 117.975 0.300 1 529 51 51 TYR CE2 C 117.975 0.300 1 530 51 51 TYR N N 118.788 0.300 1 531 52 52 LYS H H 8.832 0.030 1 532 52 52 LYS HA H 4.055 0.030 1 533 52 52 LYS HB2 H 1.871 0.030 1 534 52 52 LYS HB3 H 1.871 0.030 1 535 52 52 LYS HD2 H 1.758 0.030 1 536 52 52 LYS HD3 H 1.758 0.030 1 537 52 52 LYS HE2 H 3.088 0.030 1 538 52 52 LYS HE3 H 3.088 0.030 1 539 52 52 LYS HG2 H 1.558 0.030 2 540 52 52 LYS HG3 H 1.388 0.030 2 541 52 52 LYS C C 174.162 0.300 1 542 52 52 LYS CA C 54.601 0.300 1 543 52 52 LYS CB C 33.078 0.300 1 544 52 52 LYS CD C 29.500 0.300 1 545 52 52 LYS CE C 42.279 0.300 1 546 52 52 LYS CG C 25.000 0.300 1 547 52 52 LYS N N 123.734 0.300 1 548 53 53 PRO HA H 4.430 0.030 1 549 53 53 PRO HB2 H 2.293 0.030 2 550 53 53 PRO HB3 H 1.945 0.030 2 551 53 53 PRO HD2 H 3.589 0.030 2 552 53 53 PRO HD3 H 3.311 0.030 2 553 53 53 PRO HG2 H 1.823 0.030 2 554 53 53 PRO HG3 H 1.719 0.030 2 555 53 53 PRO C C 176.246 0.300 1 556 53 53 PRO CA C 62.800 0.300 1 557 53 53 PRO CB C 32.232 0.300 1 558 53 53 PRO CD C 50.830 0.300 1 559 53 53 PRO CG C 27.279 0.300 1 560 54 54 LYS H H 8.577 0.030 1 561 54 54 LYS HA H 4.318 0.030 1 562 54 54 LYS HB2 H 1.848 0.030 2 563 54 54 LYS HB3 H 1.778 0.030 2 564 54 54 LYS HD2 H 1.704 0.030 1 565 54 54 LYS HD3 H 1.704 0.030 1 566 54 54 LYS HE2 H 2.989 0.030 1 567 54 54 LYS HE3 H 2.989 0.030 1 568 54 54 LYS HG2 H 1.534 0.030 2 569 54 54 LYS HG3 H 1.479 0.030 2 570 54 54 LYS C C 177.325 0.300 1 571 54 54 LYS CA C 56.514 0.300 1 572 54 54 LYS CB C 32.690 0.300 1 573 54 54 LYS CD C 28.918 0.300 1 574 54 54 LYS CE C 42.243 0.300 1 575 54 54 LYS CG C 24.970 0.300 1 576 54 54 LYS N N 121.076 0.300 1 577 55 55 GLY H H 8.134 0.030 1 578 55 55 GLY HA2 H 4.041 0.030 2 579 55 55 GLY HA3 H 3.965 0.030 2 580 55 55 GLY C C 173.192 0.300 1 581 55 55 GLY CA C 44.219 0.300 1 582 55 55 GLY N N 110.286 0.300 1 583 56 56 LYS H H 8.240 0.030 1 584 56 56 LYS HA H 4.318 0.030 1 585 56 56 LYS HB2 H 1.722 0.030 2 586 56 56 LYS HB3 H 1.391 0.030 2 587 56 56 LYS HD2 H 1.586 0.030 1 588 56 56 LYS HD3 H 1.586 0.030 1 589 56 56 LYS HE2 H 2.978 0.030 1 590 56 56 LYS HE3 H 2.978 0.030 1 591 56 56 LYS HG2 H 1.329 0.030 1 592 56 56 LYS HG3 H 1.329 0.030 1 593 56 56 LYS C C 176.485 0.300 1 594 56 56 LYS CA C 56.006 0.300 1 595 56 56 LYS CB C 33.760 0.300 1 596 56 56 LYS CD C 29.029 0.300 1 597 56 56 LYS CE C 42.342 0.300 1 598 56 56 LYS CG C 25.324 0.300 1 599 56 56 LYS N N 120.144 0.300 1 600 57 57 TRP H H 9.739 0.030 1 601 57 57 TRP HA H 4.360 0.030 1 602 57 57 TRP HB2 H 3.207 0.030 2 603 57 57 TRP HB3 H 2.724 0.030 2 604 57 57 TRP HD1 H 7.176 0.030 1 605 57 57 TRP HE1 H 9.881 0.030 1 606 57 57 TRP HE3 H 7.475 0.030 1 607 57 57 TRP HH2 H 5.887 0.030 1 608 57 57 TRP HZ2 H 6.849 0.030 1 609 57 57 TRP HZ3 H 6.329 0.030 1 610 57 57 TRP C C 172.023 0.300 1 611 57 57 TRP CA C 58.809 0.300 1 612 57 57 TRP CB C 31.247 0.300 1 613 57 57 TRP CD1 C 126.092 0.300 1 614 57 57 TRP CE3 C 123.341 0.300 1 615 57 57 TRP CH2 C 122.805 0.300 1 616 57 57 TRP CZ2 C 112.004 0.300 1 617 57 57 TRP CZ3 C 120.188 0.300 1 618 57 57 TRP N N 126.209 0.300 1 619 57 57 TRP NE1 N 127.970 0.300 1 620 58 58 TYR H H 7.168 0.030 1 621 58 58 TYR HA H 4.960 0.030 1 622 58 58 TYR HB2 H 2.316 0.030 2 623 58 58 TYR HB3 H 2.133 0.030 2 624 58 58 TYR HD1 H 6.825 0.030 1 625 58 58 TYR HD2 H 6.825 0.030 1 626 58 58 TYR HE1 H 6.455 0.030 1 627 58 58 TYR HE2 H 6.455 0.030 1 628 58 58 TYR C C 174.377 0.300 1 629 58 58 TYR CA C 54.377 0.300 1 630 58 58 TYR CB C 40.804 0.300 1 631 58 58 TYR CD1 C 133.068 0.300 1 632 58 58 TYR CD2 C 133.068 0.300 1 633 58 58 TYR CE1 C 117.524 0.300 1 634 58 58 TYR CE2 C 117.524 0.300 1 635 58 58 TYR N N 123.812 0.300 1 636 59 59 CYS H H 9.011 0.030 1 637 59 59 CYS HA H 3.406 0.030 1 638 59 59 CYS HB2 H 2.088 0.030 2 639 59 59 CYS HB3 H 1.802 0.030 2 640 59 59 CYS C C 173.022 0.300 1 641 59 59 CYS CA C 57.619 0.300 1 642 59 59 CYS CB C 30.653 0.300 1 643 59 59 CYS N N 128.040 0.300 1 644 60 60 PRO HA H 3.935 0.030 1 645 60 60 PRO HB2 H 2.444 0.030 2 646 60 60 PRO HB3 H 1.807 0.030 2 647 60 60 PRO HD2 H 3.396 0.030 2 648 60 60 PRO HD3 H 3.171 0.030 2 649 60 60 PRO HG2 H 2.154 0.030 2 650 60 60 PRO HG3 H 1.982 0.030 2 651 60 60 PRO C C 178.124 0.300 1 652 60 60 PRO CA C 65.268 0.300 1 653 60 60 PRO CB C 32.349 0.300 1 654 60 60 PRO CD C 49.987 0.300 1 655 60 60 PRO CG C 28.111 0.300 1 656 61 61 LYS H H 8.596 0.030 1 657 61 61 LYS HA H 4.241 0.030 1 658 61 61 LYS HB2 H 2.068 0.030 2 659 61 61 LYS HB3 H 1.945 0.030 2 660 61 61 LYS HD2 H 1.678 0.030 1 661 61 61 LYS HD3 H 1.678 0.030 1 662 61 61 LYS HE2 H 2.978 0.030 1 663 61 61 LYS HE3 H 2.978 0.030 1 664 61 61 LYS HG2 H 1.489 0.030 1 665 61 61 LYS HG3 H 1.489 0.030 1 666 61 61 LYS C C 178.502 0.300 1 667 61 61 LYS CA C 57.625 0.300 1 668 61 61 LYS CB C 32.367 0.300 1 669 61 61 LYS CD C 28.278 0.300 1 670 61 61 LYS CE C 42.045 0.300 1 671 61 61 LYS CG C 24.773 0.300 1 672 61 61 LYS N N 117.413 0.300 1 673 62 62 CYS H H 8.265 0.030 1 674 62 62 CYS HA H 4.018 0.030 1 675 62 62 CYS HB2 H 3.000 0.030 2 676 62 62 CYS HB3 H 2.622 0.030 2 677 62 62 CYS C C 177.137 0.300 1 678 62 62 CYS CA C 62.175 0.300 1 679 62 62 CYS CB C 31.102 0.300 1 680 62 62 CYS N N 123.051 0.300 1 681 63 63 ARG H H 8.097 0.030 1 682 63 63 ARG HA H 3.896 0.030 1 683 63 63 ARG HB2 H 1.714 0.030 2 684 63 63 ARG HB3 H 1.493 0.030 2 685 63 63 ARG HD2 H 3.118 0.030 2 686 63 63 ARG HD3 H 2.946 0.030 2 687 63 63 ARG HG2 H 1.500 0.030 1 688 63 63 ARG HG3 H 1.500 0.030 1 689 63 63 ARG C C 176.297 0.300 1 690 63 63 ARG CA C 56.814 0.300 1 691 63 63 ARG CB C 29.875 0.300 1 692 63 63 ARG CD C 43.427 0.300 1 693 63 63 ARG CG C 25.365 0.300 1 694 63 63 ARG N N 117.108 0.300 1 695 64 64 GLY H H 7.899 0.030 1 696 64 64 GLY HA2 H 3.803 0.030 1 697 64 64 GLY HA3 H 3.803 0.030 1 698 64 64 GLY C C 173.978 0.300 1 699 64 64 GLY CA C 45.307 0.300 1 700 64 64 GLY N N 108.718 0.300 1 701 65 65 ASP H H 8.105 0.030 1 702 65 65 ASP HA H 4.606 0.030 1 703 65 65 ASP HB2 H 2.669 0.030 2 704 65 65 ASP HB3 H 2.587 0.030 2 705 65 65 ASP C C 176.508 0.300 1 706 65 65 ASP CA C 54.338 0.300 1 707 65 65 ASP CB C 41.277 0.300 1 708 65 65 ASP N N 120.148 0.300 1 709 66 66 SER H H 8.195 0.030 1 710 66 66 SER HA H 4.428 0.030 1 711 66 66 SER HB2 H 3.756 0.030 1 712 66 66 SER HB3 H 3.756 0.030 1 713 66 66 SER C C 174.577 0.300 1 714 66 66 SER CA C 58.449 0.300 1 715 66 66 SER CB C 63.815 0.300 1 716 66 66 SER N N 115.737 0.300 1 717 67 67 GLY H H 8.176 0.030 1 718 67 67 GLY HA2 H 4.076 0.030 1 719 67 67 GLY HA3 H 4.076 0.030 1 720 67 67 GLY C C 171.871 0.300 1 721 67 67 GLY CA C 44.614 0.300 1 722 67 67 GLY N N 110.420 0.300 1 723 68 68 PRO HA H 4.403 0.030 1 724 68 68 PRO HB2 H 2.218 0.030 2 725 68 68 PRO HB3 H 1.955 0.030 2 726 68 68 PRO HD2 H 3.616 0.030 2 727 68 68 PRO HD3 H 3.583 0.030 2 728 68 68 PRO HG2 H 1.961 0.030 1 729 68 68 PRO HG3 H 1.961 0.030 1 730 68 68 PRO C C 177.209 0.300 1 731 68 68 PRO CA C 63.297 0.300 1 732 68 68 PRO CB C 32.134 0.300 1 733 68 68 PRO CD C 49.744 0.300 1 734 68 68 PRO CG C 27.043 0.300 1 735 69 69 SER H H 8.476 0.030 1 736 69 69 SER HA H 4.457 0.030 1 737 69 69 SER HB2 H 3.879 0.030 1 738 69 69 SER HB3 H 3.879 0.030 1 739 69 69 SER C C 174.524 0.300 1 740 69 69 SER CA C 58.398 0.300 1 741 69 69 SER CB C 63.865 0.300 1 742 69 69 SER N N 115.884 0.300 1 743 70 70 SER H H 8.273 0.030 1 744 70 70 SER HA H 4.553 0.030 1 745 70 70 SER HB2 H 3.896 0.030 1 746 70 70 SER HB3 H 3.896 0.030 1 747 70 70 SER C C 173.739 0.300 1 748 70 70 SER CA C 58.234 0.300 1 749 70 70 SER CB C 64.280 0.300 1 750 70 70 SER N N 117.812 0.300 1 stop_ save_