data_11401 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the phorbol esters/diacylglycerol binding domain of protein kinase C gamma ; _BMRB_accession_number 11401 _BMRB_flat_file_name bmr11401.str _Entry_type original _Submission_date 2010-09-09 _Accession_date 2010-09-09 _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 Tanabe W. . . 2 Suzuki S. . . 3 Muto Y. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Terada T. . . 7 Shirouzu M. . . 8 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 426 "13C chemical shifts" 319 "15N chemical shifts" 68 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-08 original author . stop_ _Original_release_date 2011-09-08 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the phorbol esters/diacylglycerol binding domain of protein kinase C gamma ; _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 Tanabe W. . . 2 Suzuki S. . . 3 Muto Y. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Terada T. . . 7 Shirouzu M. . . 8 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Protein kinase C gamma type' _Enzyme_commission_number E.C.2.7.11.13 loop_ _Mol_system_component_name _Mol_label 'C1 domain, residues 36-105' $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 'C1 domain, residues 36-105' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 77 _Mol_residue_sequence ; GSSGSSGHKFTARFFKQPTF CSHCTDFIWGIGKQGLQCQV CSFVVHRRCHEFVTFECPGA GKGPQTDDPRNKHKFRL ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 HIS 9 LYS 10 PHE 11 THR 12 ALA 13 ARG 14 PHE 15 PHE 16 LYS 17 GLN 18 PRO 19 THR 20 PHE 21 CYS 22 SER 23 HIS 24 CYS 25 THR 26 ASP 27 PHE 28 ILE 29 TRP 30 GLY 31 ILE 32 GLY 33 LYS 34 GLN 35 GLY 36 LEU 37 GLN 38 CYS 39 GLN 40 VAL 41 CYS 42 SER 43 PHE 44 VAL 45 VAL 46 HIS 47 ARG 48 ARG 49 CYS 50 HIS 51 GLU 52 PHE 53 VAL 54 THR 55 PHE 56 GLU 57 CYS 58 PRO 59 GLY 60 ALA 61 GLY 62 LYS 63 GLY 64 PRO 65 GLN 66 THR 67 ASP 68 ASP 69 PRO 70 ARG 71 ASN 72 LYS 73 HIS 74 LYS 75 PHE 76 ARG 77 LEU 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 2E73 "Solution Structure Of The Phorbol EstersDIACYLGLYCEROL Binding Domain Of Protein Kinase C Gamma" 100.00 77 100.00 100.00 3.52e-48 REF XP_003766545 "PREDICTED: protein kinase C gamma type [Sarcophilus harrisii]" 90.91 681 100.00 100.00 2.00e-41 REF XP_010615362 "PREDICTED: protein kinase C gamma type [Fukomys damarensis]" 77.92 753 100.00 100.00 7.85e-34 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 P060626-05 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% {D2O;} 50uM Zncl2+1mM {IDA;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 . mM . d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' ZnCl2 0.05 mM 'natural abundance' IDA 1 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'C1 domain, residues 36-105' _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 4.242 0.030 1 2 6 6 SER HB2 H 3.858 0.030 2 3 6 6 SER C C 174.241 0.300 1 4 6 6 SER CA C 59.222 0.300 1 5 6 6 SER CB C 63.452 0.300 1 6 7 7 GLY H H 8.123 0.030 1 7 7 7 GLY HA2 H 3.882 0.030 2 8 7 7 GLY HA3 H 3.757 0.030 2 9 7 7 GLY C C 174.599 0.300 1 10 7 7 GLY CA C 45.122 0.300 1 11 7 7 GLY N N 107.979 0.300 1 12 8 8 HIS H H 7.675 0.030 1 13 8 8 HIS HA H 4.576 0.030 1 14 8 8 HIS HB2 H 2.343 0.030 2 15 8 8 HIS HB3 H 2.131 0.030 2 16 8 8 HIS HD2 H 7.365 0.030 1 17 8 8 HIS HE1 H 7.562 0.030 1 18 8 8 HIS C C 174.449 0.300 1 19 8 8 HIS CA C 56.370 0.300 1 20 8 8 HIS CB C 30.731 0.300 1 21 8 8 HIS CD2 C 121.561 0.300 1 22 8 8 HIS CE1 C 139.349 0.300 1 23 8 8 HIS N N 118.327 0.300 1 24 9 9 LYS H H 8.755 0.030 1 25 9 9 LYS HA H 4.697 0.030 1 26 9 9 LYS HB2 H 1.867 0.030 2 27 9 9 LYS HB3 H 1.673 0.030 2 28 9 9 LYS HD2 H 1.598 0.030 1 29 9 9 LYS HD3 H 1.598 0.030 1 30 9 9 LYS HE2 H 2.947 0.030 1 31 9 9 LYS HE3 H 2.947 0.030 1 32 9 9 LYS HG2 H 1.352 0.030 2 33 9 9 LYS HG3 H 1.431 0.030 2 34 9 9 LYS C C 175.923 0.300 1 35 9 9 LYS CA C 53.885 0.300 1 36 9 9 LYS CB C 32.830 0.300 1 37 9 9 LYS CD C 29.152 0.300 1 38 9 9 LYS CE C 42.248 0.300 1 39 9 9 LYS CG C 24.473 0.300 1 40 9 9 LYS N N 126.307 0.300 1 41 10 10 PHE H H 8.741 0.030 1 42 10 10 PHE HA H 4.734 0.030 1 43 10 10 PHE HB2 H 2.934 0.030 2 44 10 10 PHE HB3 H 2.746 0.030 2 45 10 10 PHE HD1 H 7.164 0.030 1 46 10 10 PHE HD2 H 7.164 0.030 1 47 10 10 PHE HE1 H 7.320 0.030 1 48 10 10 PHE HE2 H 7.320 0.030 1 49 10 10 PHE HZ H 6.769 0.030 1 50 10 10 PHE C C 176.782 0.300 1 51 10 10 PHE CA C 60.099 0.300 1 52 10 10 PHE CB C 40.518 0.300 1 53 10 10 PHE CD1 C 131.720 0.300 1 54 10 10 PHE CD2 C 131.720 0.300 1 55 10 10 PHE CE1 C 131.733 0.300 1 56 10 10 PHE CE2 C 131.733 0.300 1 57 10 10 PHE CZ C 128.867 0.300 1 58 10 10 PHE N N 121.888 0.300 1 59 11 11 THR H H 8.621 0.030 1 60 11 11 THR HA H 4.666 0.030 1 61 11 11 THR HB H 4.115 0.030 1 62 11 11 THR HG2 H 1.262 0.030 1 63 11 11 THR C C 172.674 0.300 1 64 11 11 THR CA C 60.491 0.300 1 65 11 11 THR CB C 71.663 0.300 1 66 11 11 THR CG2 C 20.985 0.300 1 67 11 11 THR N N 116.006 0.300 1 68 12 12 ALA H H 8.589 0.030 1 69 12 12 ALA HA H 4.730 0.030 1 70 12 12 ALA HB H 1.259 0.030 1 71 12 12 ALA C C 177.074 0.300 1 72 12 12 ALA CA C 52.500 0.300 1 73 12 12 ALA CB C 19.171 0.300 1 74 12 12 ALA N N 128.447 0.300 1 75 13 13 ARG H H 8.234 0.030 1 76 13 13 ARG HA H 4.451 0.030 1 77 13 13 ARG HB2 H 1.363 0.030 2 78 13 13 ARG HB3 H 1.288 0.030 2 79 13 13 ARG HD2 H 2.963 0.030 1 80 13 13 ARG HD3 H 2.963 0.030 1 81 13 13 ARG HG2 H 1.216 0.030 2 82 13 13 ARG HG3 H 0.991 0.030 2 83 13 13 ARG C C 173.253 0.300 1 84 13 13 ARG CA C 54.381 0.300 1 85 13 13 ARG CB C 33.556 0.300 1 86 13 13 ARG CD C 43.026 0.300 1 87 13 13 ARG CG C 25.796 0.300 1 88 13 13 ARG N N 119.998 0.300 1 89 14 14 PHE H H 8.225 0.030 1 90 14 14 PHE HA H 4.743 0.030 1 91 14 14 PHE HB2 H 2.845 0.030 2 92 14 14 PHE HB3 H 2.989 0.030 2 93 14 14 PHE HD1 H 7.242 0.030 1 94 14 14 PHE HD2 H 7.242 0.030 1 95 14 14 PHE C C 175.318 0.300 1 96 14 14 PHE CA C 56.558 0.300 1 97 14 14 PHE CB C 40.080 0.300 1 98 14 14 PHE CD1 C 131.983 0.300 1 99 14 14 PHE CD2 C 131.983 0.300 1 100 14 14 PHE N N 120.276 0.300 1 101 15 15 PHE H H 8.827 0.030 1 102 15 15 PHE HA H 4.665 0.030 1 103 15 15 PHE HB2 H 3.275 0.030 2 104 15 15 PHE HB3 H 2.804 0.030 2 105 15 15 PHE HD1 H 7.260 0.030 1 106 15 15 PHE HD2 H 7.260 0.030 1 107 15 15 PHE HE1 H 6.995 0.030 1 108 15 15 PHE HE2 H 6.995 0.030 1 109 15 15 PHE HZ H 6.865 0.030 1 110 15 15 PHE C C 175.296 0.300 1 111 15 15 PHE CA C 57.733 0.300 1 112 15 15 PHE CB C 40.452 0.300 1 113 15 15 PHE CD1 C 132.233 0.300 1 114 15 15 PHE CD2 C 132.233 0.300 1 115 15 15 PHE CE1 C 130.349 0.300 1 116 15 15 PHE CE2 C 130.349 0.300 1 117 15 15 PHE CZ C 128.730 0.300 1 118 15 15 PHE N N 124.012 0.300 1 119 16 16 LYS HA H 4.275 0.030 1 120 16 16 LYS HB2 H 1.977 0.030 2 121 16 16 LYS HB3 H 1.856 0.030 2 122 16 16 LYS HD2 H 1.743 0.030 1 123 16 16 LYS HD3 H 1.743 0.030 1 124 16 16 LYS HE2 H 3.021 0.030 1 125 16 16 LYS HE3 H 3.021 0.030 1 126 16 16 LYS HG2 H 1.500 0.030 2 127 16 16 LYS HG3 H 1.541 0.030 2 128 16 16 LYS C C 176.179 0.300 1 129 16 16 LYS CA C 57.452 0.300 1 130 16 16 LYS CB C 33.257 0.300 1 131 16 16 LYS CD C 29.133 0.300 1 132 16 16 LYS CE C 42.177 0.300 1 133 16 16 LYS CG C 25.324 0.300 1 134 17 17 GLN H H 7.821 0.030 1 135 17 17 GLN HA H 4.673 0.030 1 136 17 17 GLN HB2 H 1.846 0.030 2 137 17 17 GLN HB3 H 2.019 0.030 2 138 17 17 GLN HG2 H 2.265 0.030 1 139 17 17 GLN HG3 H 2.265 0.030 1 140 17 17 GLN C C 172.724 0.300 1 141 17 17 GLN CA C 52.837 0.300 1 142 17 17 GLN CB C 29.189 0.300 1 143 17 17 GLN CG C 33.020 0.300 1 144 17 17 GLN N N 116.628 0.300 1 145 18 18 PRO HA H 4.214 0.030 1 146 18 18 PRO HB2 H 1.521 0.030 2 147 18 18 PRO HB3 H 1.350 0.030 2 148 18 18 PRO HD2 H 3.169 0.030 2 149 18 18 PRO HD3 H 3.317 0.030 2 150 18 18 PRO HG2 H 1.643 0.030 2 151 18 18 PRO HG3 H 1.103 0.030 2 152 18 18 PRO C C 176.417 0.300 1 153 18 18 PRO CA C 63.771 0.300 1 154 18 18 PRO CB C 31.225 0.300 1 155 18 18 PRO CD C 50.241 0.300 1 156 18 18 PRO CG C 27.256 0.300 1 157 19 19 THR H H 8.126 0.030 1 158 19 19 THR HA H 4.381 0.030 1 159 19 19 THR HB H 3.323 0.030 1 160 19 19 THR HG2 H 0.601 0.030 1 161 19 19 THR C C 171.983 0.300 1 162 19 19 THR CA C 61.735 0.300 1 163 19 19 THR CB C 72.217 0.300 1 164 19 19 THR CG2 C 19.741 0.300 1 165 19 19 THR N N 122.097 0.300 1 166 20 20 PHE H H 8.562 0.030 1 167 20 20 PHE HA H 4.022 0.030 1 168 20 20 PHE HB2 H 2.539 0.030 1 169 20 20 PHE HB3 H 2.539 0.030 1 170 20 20 PHE HD1 H 6.830 0.030 1 171 20 20 PHE HD2 H 6.830 0.030 1 172 20 20 PHE HE1 H 7.014 0.030 1 173 20 20 PHE HE2 H 7.014 0.030 1 174 20 20 PHE C C 173.946 0.300 1 175 20 20 PHE CA C 58.165 0.300 1 176 20 20 PHE CB C 39.975 0.300 1 177 20 20 PHE CD1 C 131.483 0.300 1 178 20 20 PHE CD2 C 131.483 0.300 1 179 20 20 PHE CE1 C 131.483 0.300 1 180 20 20 PHE CE2 C 131.483 0.300 1 181 20 20 PHE N N 126.331 0.300 1 182 21 21 CYS H H 8.175 0.030 1 183 21 21 CYS HA H 4.047 0.030 1 184 21 21 CYS HB2 H 2.015 0.030 2 185 21 21 CYS HB3 H 3.350 0.030 2 186 21 21 CYS C C 176.940 0.300 1 187 21 21 CYS CA C 58.379 0.300 1 188 21 21 CYS CB C 31.464 0.300 1 189 21 21 CYS N N 123.578 0.300 1 190 22 22 SER H H 9.195 0.030 1 191 22 22 SER HA H 4.062 0.030 1 192 22 22 SER HB2 H 3.468 0.030 2 193 22 22 SER HB3 H 2.733 0.030 2 194 22 22 SER C C 173.605 0.300 1 195 22 22 SER CA C 61.321 0.300 1 196 22 22 SER CB C 63.102 0.300 1 197 22 22 SER N N 126.131 0.300 1 198 23 23 HIS H H 8.908 0.030 1 199 23 23 HIS HA H 4.816 0.030 1 200 23 23 HIS HB2 H 3.246 0.030 2 201 23 23 HIS HB3 H 3.048 0.030 2 202 23 23 HIS HD2 H 7.615 0.030 1 203 23 23 HIS HE1 H 7.782 0.030 1 204 23 23 HIS C C 175.635 0.300 1 205 23 23 HIS CA C 59.431 0.300 1 206 23 23 HIS CB C 33.587 0.300 1 207 23 23 HIS CD2 C 116.967 0.300 1 208 23 23 HIS CE1 C 140.233 0.300 1 209 23 23 HIS N N 120.198 0.300 1 210 24 24 CYS H H 8.599 0.030 1 211 24 24 CYS HA H 4.743 0.030 1 212 24 24 CYS HB2 H 3.353 0.030 2 213 24 24 CYS HB3 H 3.104 0.030 2 214 24 24 CYS C C 177.589 0.300 1 215 24 24 CYS CA C 58.481 0.300 1 216 24 24 CYS CB C 31.620 0.300 1 217 24 24 CYS N N 117.676 0.300 1 218 25 25 THR H H 7.793 0.030 1 219 25 25 THR HA H 3.970 0.030 1 220 25 25 THR HB H 4.361 0.030 1 221 25 25 THR HG2 H 0.999 0.030 1 222 25 25 THR C C 171.962 0.300 1 223 25 25 THR CA C 64.922 0.300 1 224 25 25 THR CB C 69.491 0.300 1 225 25 25 THR CG2 C 21.852 0.300 1 226 25 25 THR N N 116.117 0.300 1 227 26 26 ASP H H 8.475 0.030 1 228 26 26 ASP HA H 5.036 0.030 1 229 26 26 ASP HB2 H 2.942 0.030 2 230 26 26 ASP HB3 H 2.868 0.030 2 231 26 26 ASP C C 176.287 0.300 1 232 26 26 ASP CA C 53.201 0.300 1 233 26 26 ASP CB C 42.980 0.300 1 234 26 26 ASP N N 122.541 0.300 1 235 27 27 PHE H H 8.790 0.030 1 236 27 27 PHE HA H 4.281 0.030 1 237 27 27 PHE HB2 H 2.463 0.030 2 238 27 27 PHE HB3 H 2.676 0.030 2 239 27 27 PHE HD1 H 6.791 0.030 1 240 27 27 PHE HD2 H 6.791 0.030 1 241 27 27 PHE C C 177.089 0.300 1 242 27 27 PHE CA C 58.991 0.300 1 243 27 27 PHE CB C 40.384 0.300 1 244 27 27 PHE CD1 C 131.000 0.300 1 245 27 27 PHE CD2 C 131.000 0.300 1 246 27 27 PHE N N 118.743 0.300 1 247 28 28 ILE H H 8.949 0.030 1 248 28 28 ILE HA H 4.099 0.030 1 249 28 28 ILE HB H 1.335 0.030 1 250 28 28 ILE HD1 H 0.101 0.030 1 251 28 28 ILE HG12 H 0.943 0.030 2 252 28 28 ILE HG13 H -0.161 0.030 2 253 28 28 ILE HG2 H 0.618 0.030 1 254 28 28 ILE C C 174.784 0.300 1 255 28 28 ILE CA C 61.257 0.300 1 256 28 28 ILE CB C 37.908 0.300 1 257 28 28 ILE CD1 C 14.065 0.300 1 258 28 28 ILE CG1 C 26.336 0.300 1 259 28 28 ILE CG2 C 17.741 0.300 1 260 28 28 ILE N N 124.653 0.300 1 261 29 29 TRP H H 8.334 0.030 1 262 29 29 TRP HA H 4.883 0.030 1 263 29 29 TRP HB2 H 3.258 0.030 2 264 29 29 TRP HB3 H 3.214 0.030 2 265 29 29 TRP HD1 H 7.202 0.030 1 266 29 29 TRP HE1 H 10.133 0.030 1 267 29 29 TRP HE3 H 7.590 0.030 1 268 29 29 TRP HH2 H 7.147 0.030 1 269 29 29 TRP HZ2 H 7.471 0.030 1 270 29 29 TRP HZ3 H 6.998 0.030 1 271 29 29 TRP C C 175.101 0.300 1 272 29 29 TRP CA C 56.854 0.300 1 273 29 29 TRP CB C 30.994 0.300 1 274 29 29 TRP CD1 C 126.983 0.300 1 275 29 29 TRP CE3 C 120.983 0.300 1 276 29 29 TRP CH2 C 124.641 0.300 1 277 29 29 TRP CZ2 C 114.719 0.300 1 278 29 29 TRP CZ3 C 122.011 0.300 1 279 29 29 TRP N N 125.710 0.300 1 280 29 29 TRP NE1 N 129.495 0.300 1 281 30 30 GLY H H 8.026 0.030 1 282 30 30 GLY HA2 H 4.102 0.030 2 283 30 30 GLY HA3 H 3.690 0.030 2 284 30 30 GLY C C 173.748 0.300 1 285 30 30 GLY CA C 44.970 0.300 1 286 30 30 GLY N N 110.349 0.300 1 287 31 31 ILE H H 8.129 0.030 1 288 31 31 ILE HA H 4.079 0.030 1 289 31 31 ILE HB H 1.815 0.030 1 290 31 31 ILE HD1 H 0.843 0.030 1 291 31 31 ILE HG12 H 1.440 0.030 2 292 31 31 ILE HG13 H 1.175 0.030 2 293 31 31 ILE HG2 H 0.879 0.030 1 294 31 31 ILE C C 177.301 0.300 1 295 31 31 ILE CA C 61.865 0.300 1 296 31 31 ILE CB C 38.408 0.300 1 297 31 31 ILE CD1 C 13.087 0.300 1 298 31 31 ILE CG1 C 27.480 0.300 1 299 31 31 ILE CG2 C 17.491 0.300 1 300 31 31 ILE N N 119.342 0.300 1 301 32 32 GLY H H 8.538 0.030 1 302 32 32 GLY HA2 H 4.032 0.030 2 303 32 32 GLY HA3 H 3.737 0.030 2 304 32 32 GLY CA C 44.226 0.300 1 305 32 32 GLY N N 112.183 0.300 1 306 33 33 LYS H H 7.257 0.030 1 307 33 33 LYS HA H 4.386 0.030 1 308 33 33 LYS HB2 H 1.772 0.030 1 309 33 33 LYS HB3 H 1.772 0.030 1 310 33 33 LYS HD2 H 1.535 0.030 1 311 33 33 LYS HD3 H 1.535 0.030 1 312 33 33 LYS HE2 H 2.818 0.030 1 313 33 33 LYS HE3 H 2.818 0.030 1 314 33 33 LYS HG2 H 1.303 0.030 2 315 33 33 LYS HG3 H 1.019 0.030 2 316 33 33 LYS C C 175.857 0.300 1 317 33 33 LYS CA C 55.817 0.300 1 318 33 33 LYS CB C 32.173 0.300 1 319 33 33 LYS CD C 29.290 0.300 1 320 33 33 LYS CE C 42.298 0.300 1 321 33 33 LYS CG C 24.952 0.300 1 322 34 34 GLN H H 8.347 0.030 1 323 34 34 GLN HA H 4.472 0.030 1 324 34 34 GLN HB2 H 1.840 0.030 2 325 34 34 GLN HB3 H 2.109 0.030 2 326 34 34 GLN HE21 H 7.212 0.030 2 327 34 34 GLN HE22 H 6.870 0.030 2 328 34 34 GLN HG2 H 2.065 0.030 2 329 34 34 GLN HG3 H 1.962 0.030 2 330 34 34 GLN C C 176.635 0.300 1 331 34 34 GLN CA C 56.215 0.300 1 332 34 34 GLN CB C 30.715 0.300 1 333 34 34 GLN CG C 33.852 0.300 1 334 34 34 GLN N N 120.003 0.300 1 335 34 34 GLN NE2 N 112.261 0.300 1 336 35 35 GLY H H 8.612 0.030 1 337 35 35 GLY HA2 H 4.644 0.030 2 338 35 35 GLY HA3 H 3.667 0.030 2 339 35 35 GLY C C 170.826 0.300 1 340 35 35 GLY CA C 44.741 0.300 1 341 35 35 GLY N N 108.607 0.300 1 342 36 36 LEU H H 8.931 0.030 1 343 36 36 LEU HA H 5.137 0.030 1 344 36 36 LEU HB2 H 0.945 0.030 2 345 36 36 LEU HB3 H 1.326 0.030 2 346 36 36 LEU HD1 H 0.539 0.030 1 347 36 36 LEU HD2 H 0.268 0.030 1 348 36 36 LEU HG H 1.212 0.030 1 349 36 36 LEU C C 175.082 0.300 1 350 36 36 LEU CA C 53.287 0.300 1 351 36 36 LEU CB C 45.007 0.300 1 352 36 36 LEU CD1 C 22.801 0.300 2 353 36 36 LEU CD2 C 25.454 0.300 2 354 36 36 LEU CG C 27.044 0.300 1 355 36 36 LEU N N 119.363 0.300 1 356 37 37 GLN H H 9.061 0.030 1 357 37 37 GLN HA H 5.735 0.030 1 358 37 37 GLN HB2 H 2.178 0.030 2 359 37 37 GLN HB3 H 2.009 0.030 2 360 37 37 GLN HE21 H 7.498 0.030 2 361 37 37 GLN HE22 H 7.012 0.030 2 362 37 37 GLN HG2 H 2.175 0.030 2 363 37 37 GLN C C 175.927 0.300 1 364 37 37 GLN CA C 53.658 0.300 1 365 37 37 GLN CB C 33.642 0.300 1 366 37 37 GLN CG C 33.715 0.300 1 367 37 37 GLN N N 119.221 0.300 1 368 37 37 GLN NE2 N 111.976 0.300 1 369 38 38 CYS H H 9.782 0.030 1 370 38 38 CYS HA H 4.361 0.030 1 371 38 38 CYS HB2 H 3.373 0.030 2 372 38 38 CYS HB3 H 2.302 0.030 2 373 38 38 CYS C C 177.200 0.300 1 374 38 38 CYS CA C 59.215 0.300 1 375 38 38 CYS CB C 30.422 0.300 1 376 38 38 CYS N N 131.611 0.300 1 377 39 39 GLN H H 9.113 0.030 1 378 39 39 GLN HA H 4.196 0.030 1 379 39 39 GLN HB2 H 2.320 0.030 2 380 39 39 GLN HB3 H 2.088 0.030 2 381 39 39 GLN HE21 H 7.250 0.030 2 382 39 39 GLN HE22 H 7.029 0.030 2 383 39 39 GLN HG2 H 2.610 0.030 2 384 39 39 GLN HG3 H 2.552 0.030 2 385 39 39 GLN C C 175.237 0.300 1 386 39 39 GLN CA C 58.055 0.300 1 387 39 39 GLN CB C 30.523 0.300 1 388 39 39 GLN CG C 34.975 0.300 1 389 39 39 GLN N N 130.545 0.300 1 390 39 39 GLN NE2 N 112.409 0.300 1 391 40 40 VAL H H 9.052 0.030 1 392 40 40 VAL HA H 4.045 0.030 1 393 40 40 VAL HB H 1.951 0.030 1 394 40 40 VAL HG1 H 0.937 0.030 1 395 40 40 VAL HG2 H 0.779 0.030 1 396 40 40 VAL C C 176.627 0.300 1 397 40 40 VAL CA C 64.571 0.300 1 398 40 40 VAL CB C 33.429 0.300 1 399 40 40 VAL CG1 C 21.478 0.300 2 400 40 40 VAL CG2 C 21.496 0.300 2 401 40 40 VAL N N 120.625 0.300 1 402 41 41 CYS H H 8.345 0.030 1 403 41 41 CYS HA H 5.088 0.030 1 404 41 41 CYS HB2 H 3.539 0.030 2 405 41 41 CYS HB3 H 2.670 0.030 2 406 41 41 CYS C C 176.357 0.300 1 407 41 41 CYS CA C 59.017 0.300 1 408 41 41 CYS CB C 33.290 0.300 1 409 41 41 CYS N N 118.950 0.300 1 410 42 42 SER H H 7.686 0.030 1 411 42 42 SER HA H 4.312 0.030 1 412 42 42 SER HB2 H 4.082 0.030 1 413 42 42 SER HB3 H 4.082 0.030 1 414 42 42 SER CA C 61.756 0.300 1 415 42 42 SER CB C 62.213 0.300 1 416 42 42 SER N N 113.260 0.300 1 417 43 43 PHE H H 8.840 0.030 1 418 43 43 PHE HA H 4.432 0.030 1 419 43 43 PHE HB2 H 3.831 0.030 2 420 43 43 PHE HB3 H 2.590 0.030 2 421 43 43 PHE HD1 H 7.067 0.030 1 422 43 43 PHE HD2 H 7.067 0.030 1 423 43 43 PHE HE1 H 7.218 0.030 1 424 43 43 PHE HE2 H 7.218 0.030 1 425 43 43 PHE HZ H 7.435 0.030 1 426 43 43 PHE CA C 60.651 0.300 1 427 43 43 PHE CB C 41.402 0.300 1 428 43 43 PHE CD1 C 131.983 0.300 1 429 43 43 PHE CD2 C 131.983 0.300 1 430 43 43 PHE CE1 C 131.983 0.300 1 431 43 43 PHE CE2 C 131.983 0.300 1 432 43 43 PHE CZ C 129.983 0.300 1 433 43 43 PHE N N 126.541 0.300 1 434 44 44 VAL H H 8.079 0.030 1 435 44 44 VAL HA H 5.311 0.030 1 436 44 44 VAL HB H 1.886 0.030 1 437 44 44 VAL HG1 H 0.969 0.030 1 438 44 44 VAL HG2 H 0.732 0.030 1 439 44 44 VAL C C 174.455 0.300 1 440 44 44 VAL CA C 60.494 0.300 1 441 44 44 VAL CB C 34.489 0.300 1 442 44 44 VAL CG1 C 21.899 0.300 2 443 44 44 VAL CG2 C 22.374 0.300 2 444 44 44 VAL N N 126.760 0.300 1 445 45 45 VAL H H 8.733 0.030 1 446 45 45 VAL HA H 5.981 0.030 1 447 45 45 VAL HB H 2.118 0.030 1 448 45 45 VAL HG1 H 0.666 0.030 1 449 45 45 VAL HG2 H 0.549 0.030 1 450 45 45 VAL C C 175.833 0.300 1 451 45 45 VAL CA C 57.733 0.300 1 452 45 45 VAL CB C 37.201 0.300 1 453 45 45 VAL CG1 C 23.380 0.300 2 454 45 45 VAL CG2 C 20.195 0.300 2 455 45 45 VAL N N 117.043 0.300 1 456 46 46 HIS H H 8.502 0.030 1 457 46 46 HIS HA H 4.602 0.030 1 458 46 46 HIS HB2 H 3.768 0.030 2 459 46 46 HIS HB3 H 3.716 0.030 2 460 46 46 HIS HD2 H 7.513 0.030 1 461 46 46 HIS HE1 H 7.202 0.030 1 462 46 46 HIS C C 178.308 0.300 1 463 46 46 HIS CA C 59.430 0.300 1 464 46 46 HIS CB C 31.977 0.300 1 465 46 46 HIS CD2 C 119.495 0.300 1 466 46 46 HIS CE1 C 138.983 0.300 1 467 46 46 HIS N N 120.406 0.300 1 468 47 47 ARG H H 9.236 0.030 1 469 47 47 ARG HA H 3.869 0.030 1 470 47 47 ARG HB2 H 1.992 0.030 2 471 47 47 ARG HB3 H 1.870 0.030 2 472 47 47 ARG HD2 H 3.216 0.030 1 473 47 47 ARG HD3 H 3.216 0.030 1 474 47 47 ARG HG2 H 1.643 0.030 2 475 47 47 ARG HG3 H 1.582 0.030 2 476 47 47 ARG CA C 61.134 0.300 1 477 47 47 ARG CB C 29.233 0.300 1 478 47 47 ARG CD C 43.316 0.300 1 479 47 47 ARG CG C 28.106 0.300 1 480 47 47 ARG N N 124.428 0.300 1 481 48 48 ARG HA H 4.364 0.030 1 482 48 48 ARG HB2 H 2.001 0.030 2 483 48 48 ARG HB3 H 1.903 0.030 2 484 48 48 ARG HD2 H 3.136 0.030 1 485 48 48 ARG HD3 H 3.136 0.030 1 486 48 48 ARG HG2 H 1.856 0.030 2 487 48 48 ARG HG3 H 1.669 0.030 2 488 48 48 ARG C C 176.661 0.300 1 489 48 48 ARG CA C 58.265 0.300 1 490 48 48 ARG CB C 29.223 0.300 1 491 48 48 ARG CD C 43.416 0.300 1 492 48 48 ARG CG C 27.619 0.300 1 493 49 49 CYS H H 7.210 0.030 1 494 49 49 CYS HA H 4.468 0.030 1 495 49 49 CYS HB2 H 3.214 0.030 2 496 49 49 CYS HB3 H 3.042 0.030 2 497 49 49 CYS C C 175.961 0.300 1 498 49 49 CYS CA C 61.691 0.300 1 499 49 49 CYS CB C 31.124 0.300 1 500 49 49 CYS N N 118.320 0.300 1 501 50 50 HIS H H 7.238 0.030 1 502 50 50 HIS HA H 3.771 0.030 1 503 50 50 HIS HB2 H 2.939 0.030 2 504 50 50 HIS HB3 H 2.800 0.030 2 505 50 50 HIS HD2 H 6.415 0.030 1 506 50 50 HIS HE1 H 7.674 0.030 1 507 50 50 HIS C C 176.184 0.300 1 508 50 50 HIS CA C 60.122 0.300 1 509 50 50 HIS CB C 30.844 0.300 1 510 50 50 HIS CD2 C 121.983 0.300 1 511 50 50 HIS CE1 C 138.787 0.300 1 512 50 50 HIS N N 119.146 0.300 1 513 51 51 GLU H H 8.195 0.030 1 514 51 51 GLU HA H 3.730 0.030 1 515 51 51 GLU HB2 H 1.508 0.030 2 516 51 51 GLU HB3 H 1.365 0.030 2 517 51 51 GLU HG2 H 1.160 0.030 2 518 51 51 GLU HG3 H 1.465 0.030 2 519 51 51 GLU C C 175.899 0.300 1 520 51 51 GLU CA C 57.711 0.300 1 521 51 51 GLU CB C 29.046 0.300 1 522 51 51 GLU CG C 35.502 0.300 1 523 51 51 GLU N N 115.566 0.300 1 524 52 52 PHE H H 7.314 0.030 1 525 52 52 PHE HA H 4.544 0.030 1 526 52 52 PHE HB2 H 3.404 0.030 2 527 52 52 PHE HB3 H 2.264 0.030 2 528 52 52 PHE HD1 H 7.190 0.030 1 529 52 52 PHE HD2 H 7.190 0.030 1 530 52 52 PHE HE1 H 7.387 0.030 1 531 52 52 PHE HE2 H 7.387 0.030 1 532 52 52 PHE C C 174.929 0.300 1 533 52 52 PHE CA C 56.728 0.300 1 534 52 52 PHE CB C 39.552 0.300 1 535 52 52 PHE CD1 C 131.483 0.300 1 536 52 52 PHE CD2 C 131.483 0.300 1 537 52 52 PHE CE1 C 131.733 0.300 1 538 52 52 PHE CE2 C 131.733 0.300 1 539 52 52 PHE N N 116.422 0.300 1 540 53 53 VAL H H 6.863 0.030 1 541 53 53 VAL HA H 3.924 0.030 1 542 53 53 VAL HB H 2.168 0.030 1 543 53 53 VAL HG1 H 1.200 0.030 1 544 53 53 VAL HG2 H 1.130 0.030 1 545 53 53 VAL C C 176.810 0.300 1 546 53 53 VAL CA C 63.738 0.300 1 547 53 53 VAL CB C 32.749 0.300 1 548 53 53 VAL CG1 C 23.983 0.300 2 549 53 53 VAL CG2 C 22.563 0.300 2 550 53 53 VAL N N 118.466 0.300 1 551 54 54 THR H H 9.126 0.030 1 552 54 54 THR HA H 4.518 0.030 1 553 54 54 THR HB H 4.469 0.030 1 554 54 54 THR HG2 H 1.341 0.030 1 555 54 54 THR C C 174.537 0.300 1 556 54 54 THR CA C 61.430 0.300 1 557 54 54 THR CB C 70.169 0.300 1 558 54 54 THR CG2 C 21.647 0.300 1 559 54 54 THR N N 117.670 0.300 1 560 55 55 PHE H H 7.483 0.030 1 561 55 55 PHE HA H 4.620 0.030 1 562 55 55 PHE HB2 H 3.251 0.030 2 563 55 55 PHE HB3 H 2.737 0.030 2 564 55 55 PHE HD1 H 6.919 0.030 1 565 55 55 PHE HD2 H 6.919 0.030 1 566 55 55 PHE HE1 H 7.376 0.030 1 567 55 55 PHE HE2 H 7.376 0.030 1 568 55 55 PHE HZ H 7.251 0.030 1 569 55 55 PHE C C 174.867 0.300 1 570 55 55 PHE CA C 57.345 0.300 1 571 55 55 PHE CB C 39.845 0.300 1 572 55 55 PHE CD1 C 132.233 0.300 1 573 55 55 PHE CD2 C 132.233 0.300 1 574 55 55 PHE CE1 C 131.483 0.300 1 575 55 55 PHE CE2 C 131.483 0.300 1 576 55 55 PHE CZ C 129.733 0.300 1 577 55 55 PHE N N 124.858 0.300 1 578 56 56 GLU H H 8.471 0.030 1 579 56 56 GLU HA H 3.999 0.030 1 580 56 56 GLU HB2 H 1.657 0.030 1 581 56 56 GLU HB3 H 1.657 0.030 1 582 56 56 GLU HG2 H 2.021 0.030 2 583 56 56 GLU HG3 H 2.131 0.030 2 584 56 56 GLU C C 174.565 0.300 1 585 56 56 GLU CA C 55.695 0.300 1 586 56 56 GLU CB C 30.125 0.300 1 587 56 56 GLU CG C 36.473 0.300 1 588 56 56 GLU N N 129.717 0.300 1 589 57 57 CYS H H 7.736 0.030 1 590 57 57 CYS HA H 3.655 0.030 1 591 57 57 CYS HB2 H 2.186 0.030 2 592 57 57 CYS HB3 H 1.031 0.030 2 593 57 57 CYS C C 175.662 0.300 1 594 57 57 CYS CA C 58.249 0.300 1 595 57 57 CYS CB C 28.421 0.300 1 596 57 57 CYS N N 125.067 0.300 1 597 58 58 PRO HA H 4.408 0.030 1 598 58 58 PRO HB2 H 2.253 0.030 2 599 58 58 PRO HB3 H 2.064 0.030 2 600 58 58 PRO HD2 H 3.909 0.030 2 601 58 58 PRO HD3 H 4.434 0.030 2 602 58 58 PRO HG2 H 2.209 0.030 2 603 58 58 PRO HG3 H 2.131 0.030 2 604 58 58 PRO C C 177.040 0.300 1 605 58 58 PRO CA C 63.695 0.300 1 606 58 58 PRO CB C 32.313 0.300 1 607 58 58 PRO CD C 51.664 0.300 1 608 58 58 PRO CG C 26.916 0.300 1 609 59 59 GLY H H 8.008 0.030 1 610 59 59 GLY HA2 H 3.960 0.030 2 611 59 59 GLY HA3 H 3.750 0.030 2 612 59 59 GLY C C 172.756 0.300 1 613 59 59 GLY CA C 44.515 0.300 1 614 59 59 GLY N N 108.409 0.300 1 615 60 60 ALA H H 7.986 0.030 1 616 60 60 ALA HA H 4.252 0.030 1 617 60 60 ALA HB H 1.368 0.030 1 618 60 60 ALA C C 178.382 0.300 1 619 60 60 ALA CA C 52.538 0.300 1 620 60 60 ALA CB C 19.467 0.300 1 621 60 60 ALA N N 121.894 0.300 1 622 61 61 GLY H H 8.404 0.030 1 623 61 61 GLY HA2 H 3.941 0.030 1 624 61 61 GLY HA3 H 3.941 0.030 1 625 61 61 GLY C C 174.232 0.300 1 626 61 61 GLY CA C 45.531 0.300 1 627 61 61 GLY N N 108.177 0.300 1 628 62 62 LYS H H 8.160 0.030 1 629 62 62 LYS HA H 4.421 0.030 1 630 62 62 LYS HB2 H 1.898 0.030 2 631 62 62 LYS HB3 H 1.719 0.030 2 632 62 62 LYS HD2 H 1.665 0.030 1 633 62 62 LYS HD3 H 1.665 0.030 1 634 62 62 LYS HE2 H 2.993 0.030 1 635 62 62 LYS HE3 H 2.993 0.030 1 636 62 62 LYS HG2 H 1.446 0.030 2 637 62 62 LYS HG3 H 1.377 0.030 2 638 62 62 LYS C C 176.800 0.300 1 639 62 62 LYS CA C 55.923 0.300 1 640 62 62 LYS CB C 33.220 0.300 1 641 62 62 LYS CD C 28.873 0.300 1 642 62 62 LYS CE C 42.181 0.300 1 643 62 62 LYS CG C 24.700 0.300 1 644 62 62 LYS N N 120.375 0.300 1 645 63 63 GLY H H 8.320 0.030 1 646 63 63 GLY HA2 H 4.085 0.030 2 647 63 63 GLY HA3 H 4.142 0.030 2 648 63 63 GLY C C 171.797 0.300 1 649 63 63 GLY CA C 44.579 0.300 1 650 63 63 GLY N N 109.864 0.300 1 651 64 64 PRO HA H 4.442 0.030 1 652 64 64 PRO HB2 H 1.931 0.030 2 653 64 64 PRO HB3 H 2.270 0.030 2 654 64 64 PRO HD2 H 3.636 0.030 1 655 64 64 PRO HD3 H 3.636 0.030 1 656 64 64 PRO HG2 H 2.009 0.030 1 657 64 64 PRO HG3 H 2.009 0.030 1 658 64 64 PRO C C 177.191 0.300 1 659 64 64 PRO CA C 63.278 0.300 1 660 64 64 PRO CB C 32.137 0.300 1 661 64 64 PRO CD C 49.806 0.300 1 662 64 64 PRO CG C 27.241 0.300 1 663 65 65 GLN H H 8.624 0.030 1 664 65 65 GLN HA H 4.410 0.030 1 665 65 65 GLN HB2 H 2.165 0.030 2 666 65 65 GLN HB3 H 2.015 0.030 2 667 65 65 GLN HG2 H 2.403 0.030 1 668 65 65 GLN HG3 H 2.403 0.030 1 669 65 65 GLN C C 176.301 0.300 1 670 65 65 GLN CA C 55.774 0.300 1 671 65 65 GLN CB C 29.370 0.300 1 672 65 65 GLN CG C 33.861 0.300 1 673 65 65 GLN N N 120.835 0.300 1 674 66 66 THR H H 8.179 0.030 1 675 66 66 THR HA H 4.300 0.030 1 676 66 66 THR HB H 4.220 0.030 1 677 66 66 THR HG2 H 1.185 0.030 1 678 66 66 THR C C 174.088 0.300 1 679 66 66 THR CA C 62.050 0.300 1 680 66 66 THR CB C 69.797 0.300 1 681 66 66 THR CG2 C 21.547 0.300 1 682 66 66 THR N N 115.158 0.300 1 683 67 67 ASP H H 8.345 0.030 1 684 67 67 ASP HA H 4.611 0.030 1 685 67 67 ASP HB2 H 2.654 0.030 2 686 67 67 ASP HB3 H 2.588 0.030 2 687 67 67 ASP C C 175.286 0.300 1 688 67 67 ASP CA C 54.079 0.300 1 689 67 67 ASP CB C 41.238 0.300 1 690 67 67 ASP N N 122.337 0.300 1 691 68 68 ASP H H 8.127 0.030 1 692 68 68 ASP HA H 4.828 0.030 1 693 68 68 ASP HB2 H 2.817 0.030 2 694 68 68 ASP HB3 H 2.584 0.030 2 695 68 68 ASP C C 175.382 0.300 1 696 68 68 ASP CA C 51.924 0.300 1 697 68 68 ASP CB C 41.967 0.300 1 698 68 68 ASP N N 122.310 0.300 1 699 69 69 PRO HA H 4.357 0.030 1 700 69 69 PRO HB2 H 2.326 0.030 2 701 69 69 PRO HB3 H 1.982 0.030 2 702 69 69 PRO HD2 H 3.871 0.030 1 703 69 69 PRO HD3 H 3.871 0.030 1 704 69 69 PRO HG2 H 2.039 0.030 2 705 69 69 PRO HG3 H 1.985 0.030 2 706 69 69 PRO C C 177.808 0.300 1 707 69 69 PRO CA C 64.141 0.300 1 708 69 69 PRO CB C 32.171 0.300 1 709 69 69 PRO CD C 51.073 0.300 1 710 69 69 PRO CG C 27.147 0.300 1 711 70 70 ARG H H 8.458 0.030 1 712 70 70 ARG HA H 4.145 0.030 1 713 70 70 ARG HB2 H 1.851 0.030 2 714 70 70 ARG HB3 H 1.788 0.030 2 715 70 70 ARG HD2 H 3.210 0.030 1 716 70 70 ARG HD3 H 3.210 0.030 1 717 70 70 ARG HG2 H 1.650 0.030 1 718 70 70 ARG HG3 H 1.650 0.030 1 719 70 70 ARG C C 176.944 0.300 1 720 70 70 ARG CA C 57.241 0.300 1 721 70 70 ARG CB C 30.031 0.300 1 722 70 70 ARG CD C 43.237 0.300 1 723 70 70 ARG CG C 27.166 0.300 1 724 70 70 ARG N N 118.290 0.300 1 725 71 71 ASN H H 7.975 0.030 1 726 71 71 ASN HA H 4.672 0.030 1 727 71 71 ASN HB2 H 2.742 0.030 2 728 71 71 ASN HB3 H 2.871 0.030 2 729 71 71 ASN HD21 H 7.728 0.030 2 730 71 71 ASN HD22 H 6.948 0.030 2 731 71 71 ASN C C 175.407 0.300 1 732 71 71 ASN CA C 53.341 0.300 1 733 71 71 ASN CB C 38.734 0.300 1 734 71 71 ASN N N 117.253 0.300 1 735 71 71 ASN ND2 N 112.935 0.300 1 736 72 72 LYS H H 7.934 0.030 1 737 72 72 LYS HA H 4.177 0.030 1 738 72 72 LYS HB2 H 1.694 0.030 2 739 72 72 LYS HB3 H 1.739 0.030 2 740 72 72 LYS HD2 H 1.612 0.030 1 741 72 72 LYS HD3 H 1.612 0.030 1 742 72 72 LYS HE2 H 2.929 0.030 1 743 72 72 LYS HE3 H 2.929 0.030 1 744 72 72 LYS HG2 H 1.313 0.030 1 745 72 72 LYS HG3 H 1.313 0.030 1 746 72 72 LYS C C 176.459 0.300 1 747 72 72 LYS CA C 56.980 0.300 1 748 72 72 LYS CB C 32.728 0.300 1 749 72 72 LYS CD C 28.966 0.300 1 750 72 72 LYS CE C 42.177 0.300 1 751 72 72 LYS CG C 24.652 0.300 1 752 72 72 LYS N N 120.840 0.300 1 753 73 73 HIS H H 8.135 0.030 1 754 73 73 HIS HA H 4.546 0.030 1 755 73 73 HIS HB2 H 3.045 0.030 2 756 73 73 HIS HB3 H 2.997 0.030 2 757 73 73 HIS HD2 H 6.930 0.030 1 758 73 73 HIS HE1 H 7.814 0.030 1 759 73 73 HIS C C 177.272 0.300 1 760 73 73 HIS CA C 56.354 0.300 1 761 73 73 HIS CB C 30.691 0.300 1 762 73 73 HIS CD2 C 119.840 0.300 1 763 73 73 HIS CE1 C 138.441 0.300 1 764 73 73 HIS N N 119.668 0.300 1 765 74 74 LYS HA H 4.182 0.030 1 766 74 74 LYS HB2 H 1.616 0.030 2 767 74 74 LYS HD2 H 1.628 0.030 1 768 74 74 LYS HD3 H 1.628 0.030 1 769 74 74 LYS HE2 H 2.935 0.030 1 770 74 74 LYS HE3 H 2.935 0.030 1 771 74 74 LYS HG2 H 1.204 0.030 2 772 74 74 LYS C C 175.983 0.300 1 773 74 74 LYS CA C 56.482 0.300 1 774 74 74 LYS CB C 32.939 0.300 1 775 74 74 LYS CD C 29.136 0.300 1 776 74 74 LYS CE C 42.168 0.300 1 777 74 74 LYS CG C 24.595 0.300 1 778 75 75 PHE HA H 4.620 0.030 1 779 75 75 PHE HB2 H 2.994 0.030 2 780 75 75 PHE HB3 H 3.133 0.030 2 781 75 75 PHE HD1 H 7.245 0.030 1 782 75 75 PHE HD2 H 7.245 0.030 1 783 75 75 PHE C C 175.111 0.300 1 784 75 75 PHE CA C 57.626 0.300 1 785 75 75 PHE CB C 39.534 0.300 1 786 75 75 PHE N N 126.553 0.300 1 787 76 76 ARG H H 8.065 0.030 1 788 76 76 ARG HA H 4.324 0.030 1 789 76 76 ARG HB2 H 1.707 0.030 2 790 76 76 ARG HB3 H 1.824 0.030 2 791 76 76 ARG HD2 H 3.159 0.030 1 792 76 76 ARG HD3 H 3.159 0.030 1 793 76 76 ARG HG2 H 1.564 0.030 1 794 76 76 ARG HG3 H 1.564 0.030 1 795 76 76 ARG C C 174.675 0.300 1 796 76 76 ARG CA C 55.849 0.300 1 797 76 76 ARG CB C 31.051 0.300 1 798 76 76 ARG CD C 43.353 0.300 1 799 76 76 ARG CG C 26.904 0.300 1 800 76 76 ARG N N 122.940 0.300 1 801 77 77 LEU H H 7.862 0.030 1 802 77 77 LEU HA H 4.143 0.030 1 803 77 77 LEU HB2 H 1.574 0.030 1 804 77 77 LEU HB3 H 1.574 0.030 1 805 77 77 LEU HD1 H 0.916 0.030 1 806 77 77 LEU HD2 H 0.879 0.030 1 807 77 77 LEU HG H 1.597 0.030 1 808 77 77 LEU CA C 56.772 0.300 1 809 77 77 LEU CB C 43.385 0.300 1 810 77 77 LEU CD1 C 25.236 0.300 2 811 77 77 LEU CD2 C 23.715 0.300 2 812 77 77 LEU CG C 27.328 0.300 1 813 77 77 LEU N N 129.481 0.300 1 stop_ save_