data_11316 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the zinc finger domain of Transcriptional repressor CTCF protein ; _BMRB_accession_number 11316 _BMRB_flat_file_name bmr11316.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 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 5 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" 400 "13C chemical shifts" 298 "15N chemical shifts" 61 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 domain of Transcriptional repressor CTCF protein ; _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 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 5 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 'Transcriptional repressor CTCF' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'zinc finger 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 'zinc finger domain' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 77 _Mol_residue_sequence ; GSSGSSGRTHSGEKPYECYI CHARFTQSGTMKMHILQKHT ENVAKFHCPHCDTVIARKSD LGVHLRKQHSYSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ARG 9 THR 10 HIS 11 SER 12 GLY 13 GLU 14 LYS 15 PRO 16 TYR 17 GLU 18 CYS 19 TYR 20 ILE 21 CYS 22 HIS 23 ALA 24 ARG 25 PHE 26 THR 27 GLN 28 SER 29 GLY 30 THR 31 MET 32 LYS 33 MET 34 HIS 35 ILE 36 LEU 37 GLN 38 LYS 39 HIS 40 THR 41 GLU 42 ASN 43 VAL 44 ALA 45 LYS 46 PHE 47 HIS 48 CYS 49 PRO 50 HIS 51 CYS 52 ASP 53 THR 54 VAL 55 ILE 56 ALA 57 ARG 58 LYS 59 SER 60 ASP 61 LEU 62 GLY 63 VAL 64 HIS 65 LEU 66 ARG 67 LYS 68 GLN 69 HIS 70 SER 71 TYR 72 SER 73 GLY 74 PRO 75 SER 76 SER 77 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 2CT1 "Solution Structure Of The Zinc Finger Domain Of Transcriptional Repressor Ctcf Protein" 100.00 77 100.00 100.00 1.32e-48 REF XP_010765514 "PREDICTED: transcriptional repressor CTCF-like [Notothenia coriiceps]" 53.25 92 97.56 100.00 3.73e-20 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 P040809-05 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 2.46mM zinc finger domain U-13C, {15N;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM {ZnCl2;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 2.46 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' ZnCl2 0.05 mM 'natural abundance' 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 0.925 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 700 _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 'zinc finger 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 ARG HA H 4.379 0.030 1 2 8 8 ARG HB2 H 1.718 0.030 2 3 8 8 ARG HB3 H 1.818 0.030 2 4 8 8 ARG HD2 H 3.161 0.030 1 5 8 8 ARG HD3 H 3.161 0.030 1 6 8 8 ARG HG2 H 1.561 0.030 1 7 8 8 ARG HG3 H 1.561 0.030 1 8 8 8 ARG CA C 56.001 0.300 1 9 8 8 ARG CB C 30.879 0.300 1 10 8 8 ARG CD C 43.326 0.300 1 11 8 8 ARG CG C 27.053 0.300 1 12 9 9 THR HA H 4.295 0.030 1 13 9 9 THR HB H 4.143 0.030 1 14 9 9 THR HG2 H 1.124 0.030 1 15 9 9 THR CA C 61.906 0.300 1 16 9 9 THR CB C 69.905 0.300 1 17 9 9 THR CG2 C 21.548 0.300 1 18 10 10 HIS H H 8.179 0.030 1 19 10 10 HIS HA H 4.648 0.030 1 20 10 10 HIS HB2 H 3.113 0.030 2 21 10 10 HIS HB3 H 3.033 0.030 2 22 10 10 HIS HD2 H 6.967 0.030 1 23 10 10 HIS HE1 H 7.758 0.030 1 24 10 10 HIS CA C 56.400 0.300 1 25 10 10 HIS CB C 31.255 0.300 1 26 10 10 HIS CD2 C 119.872 0.300 1 27 10 10 HIS CE1 C 138.491 0.300 1 28 10 10 HIS N N 122.991 0.300 1 29 11 11 SER HA H 4.374 0.030 1 30 11 11 SER HB2 H 3.824 0.030 1 31 11 11 SER HB3 H 3.824 0.030 1 32 11 11 SER C C 174.938 0.300 1 33 11 11 SER CA C 59.017 0.300 1 34 11 11 SER CB C 63.579 0.300 1 35 12 12 GLY H H 8.450 0.030 1 36 12 12 GLY HA2 H 3.910 0.030 1 37 12 12 GLY HA3 H 3.910 0.030 1 38 12 12 GLY C C 174.027 0.300 1 39 12 12 GLY CA C 45.148 0.300 1 40 12 12 GLY N N 110.983 0.300 1 41 13 13 GLU H H 8.201 0.030 1 42 13 13 GLU HA H 4.175 0.030 1 43 13 13 GLU HB2 H 1.959 0.030 1 44 13 13 GLU HB3 H 1.959 0.030 1 45 13 13 GLU HG2 H 2.203 0.030 1 46 13 13 GLU HG3 H 2.203 0.030 1 47 13 13 GLU C C 176.421 0.300 1 48 13 13 GLU CA C 56.837 0.300 1 49 13 13 GLU CB C 30.349 0.300 1 50 13 13 GLU CG C 36.287 0.300 1 51 13 13 GLU N N 120.257 0.300 1 52 14 14 LYS H H 8.409 0.030 1 53 14 14 LYS HA H 4.518 0.030 1 54 14 14 LYS HB2 H 1.617 0.030 2 55 14 14 LYS HB3 H 1.457 0.030 2 56 14 14 LYS HD2 H 1.431 0.030 1 57 14 14 LYS HD3 H 1.431 0.030 1 58 14 14 LYS HE2 H 2.869 0.030 1 59 14 14 LYS HE3 H 2.869 0.030 1 60 14 14 LYS HG2 H 1.308 0.030 2 61 14 14 LYS HG3 H 1.169 0.030 2 62 14 14 LYS C C 174.233 0.300 1 63 14 14 LYS CA C 53.799 0.300 1 64 14 14 LYS CB C 33.429 0.300 1 65 14 14 LYS CD C 29.811 0.300 1 66 14 14 LYS CE C 42.229 0.300 1 67 14 14 LYS CG C 25.020 0.300 1 68 14 14 LYS N N 121.432 0.300 1 69 15 15 PRO HA H 4.269 0.030 1 70 15 15 PRO HB2 H 2.049 0.030 2 71 15 15 PRO HB3 H 1.263 0.030 2 72 15 15 PRO HD2 H 3.706 0.030 1 73 15 15 PRO HD3 H 3.706 0.030 1 74 15 15 PRO HG2 H 1.831 0.030 2 75 15 15 PRO HG3 H 1.712 0.030 2 76 15 15 PRO C C 176.306 0.300 1 77 15 15 PRO CA C 63.722 0.300 1 78 15 15 PRO CB C 32.341 0.300 1 79 15 15 PRO CD C 50.589 0.300 1 80 15 15 PRO CG C 26.743 0.300 1 81 16 16 TYR H H 7.763 0.030 1 82 16 16 TYR HA H 4.568 0.030 1 83 16 16 TYR HB2 H 3.257 0.030 2 84 16 16 TYR HB3 H 2.671 0.030 2 85 16 16 TYR HD1 H 6.950 0.030 1 86 16 16 TYR HD2 H 6.950 0.030 1 87 16 16 TYR HE1 H 6.873 0.030 1 88 16 16 TYR HE2 H 6.873 0.030 1 89 16 16 TYR C C 174.056 0.300 1 90 16 16 TYR CA C 58.212 0.300 1 91 16 16 TYR CB C 39.054 0.300 1 92 16 16 TYR CD1 C 133.050 0.300 1 93 16 16 TYR CD2 C 133.050 0.300 1 94 16 16 TYR CE1 C 118.435 0.300 1 95 16 16 TYR CE2 C 118.435 0.300 1 96 16 16 TYR N N 117.604 0.300 1 97 17 17 GLU H H 8.750 0.030 1 98 17 17 GLU HA H 5.115 0.030 1 99 17 17 GLU HB2 H 1.925 0.030 2 100 17 17 GLU HB3 H 1.726 0.030 2 101 17 17 GLU HG2 H 2.006 0.030 1 102 17 17 GLU HG3 H 2.006 0.030 1 103 17 17 GLU C C 175.314 0.300 1 104 17 17 GLU CA C 53.953 0.300 1 105 17 17 GLU CB C 33.834 0.300 1 106 17 17 GLU CG C 36.020 0.300 1 107 17 17 GLU N N 124.808 0.300 1 108 18 18 CYS H H 9.309 0.030 1 109 18 18 CYS HA H 4.315 0.030 1 110 18 18 CYS HB2 H 3.216 0.030 2 111 18 18 CYS HB3 H 2.830 0.030 2 112 18 18 CYS C C 177.338 0.300 1 113 18 18 CYS CA C 60.428 0.300 1 114 18 18 CYS CB C 29.795 0.300 1 115 18 18 CYS N N 128.339 0.300 1 116 19 19 TYR H H 8.193 0.030 1 117 19 19 TYR HA H 4.373 0.030 1 118 19 19 TYR HB2 H 3.219 0.030 2 119 19 19 TYR HB3 H 3.134 0.030 2 120 19 19 TYR HD1 H 7.190 0.030 1 121 19 19 TYR HD2 H 7.190 0.030 1 122 19 19 TYR HE1 H 6.800 0.030 1 123 19 19 TYR HE2 H 6.800 0.030 1 124 19 19 TYR C C 174.066 0.300 1 125 19 19 TYR CA C 58.996 0.300 1 126 19 19 TYR CB C 36.820 0.300 1 127 19 19 TYR CD1 C 133.536 0.300 1 128 19 19 TYR CD2 C 133.536 0.300 1 129 19 19 TYR CE1 C 118.570 0.300 1 130 19 19 TYR CE2 C 118.570 0.300 1 131 19 19 TYR N N 129.433 0.300 1 132 20 20 ILE H H 8.137 0.030 1 133 20 20 ILE HA H 3.546 0.030 1 134 20 20 ILE HB H 0.499 0.030 1 135 20 20 ILE HD1 H 0.350 0.030 1 136 20 20 ILE HG12 H 0.201 0.030 2 137 20 20 ILE HG13 H 0.258 0.030 2 138 20 20 ILE HG2 H 0.154 0.030 1 139 20 20 ILE C C 176.113 0.300 1 140 20 20 ILE CA C 63.451 0.300 1 141 20 20 ILE CB C 38.831 0.300 1 142 20 20 ILE CD1 C 13.456 0.300 1 143 20 20 ILE CG1 C 27.704 0.300 1 144 20 20 ILE CG2 C 16.454 0.300 1 145 20 20 ILE N N 123.162 0.300 1 146 21 21 CYS H H 8.271 0.030 1 147 21 21 CYS HA H 5.008 0.030 1 148 21 21 CYS HB2 H 3.437 0.030 2 149 21 21 CYS HB3 H 2.748 0.030 2 150 21 21 CYS C C 176.208 0.300 1 151 21 21 CYS CA C 58.323 0.300 1 152 21 21 CYS CB C 32.256 0.300 1 153 21 21 CYS N N 117.178 0.300 1 154 22 22 HIS H H 7.783 0.030 1 155 22 22 HIS HA H 4.508 0.030 1 156 22 22 HIS HB2 H 3.580 0.030 2 157 22 22 HIS HB3 H 3.390 0.030 2 158 22 22 HIS HD2 H 7.023 0.030 1 159 22 22 HIS HE1 H 8.362 0.030 1 160 22 22 HIS C C 173.297 0.300 1 161 22 22 HIS CA C 58.243 0.300 1 162 22 22 HIS CB C 25.362 0.300 1 163 22 22 HIS CD2 C 120.296 0.300 1 164 22 22 HIS CE1 C 136.618 0.300 1 165 22 22 HIS N N 116.064 0.300 1 166 23 23 ALA H H 8.158 0.030 1 167 23 23 ALA HA H 4.150 0.030 1 168 23 23 ALA HB H 1.040 0.030 1 169 23 23 ALA C C 175.481 0.300 1 170 23 23 ALA CA C 53.361 0.300 1 171 23 23 ALA CB C 19.714 0.300 1 172 23 23 ALA N N 124.506 0.300 1 173 24 24 ARG H H 7.866 0.030 1 174 24 24 ARG HA H 5.227 0.030 1 175 24 24 ARG HB2 H 1.735 0.030 2 176 24 24 ARG HB3 H 1.434 0.030 2 177 24 24 ARG HD2 H 3.195 0.030 2 178 24 24 ARG HD3 H 3.076 0.030 2 179 24 24 ARG HG2 H 1.730 0.030 2 180 24 24 ARG HG3 H 1.315 0.030 2 181 24 24 ARG C C 175.718 0.300 1 182 24 24 ARG CA C 54.531 0.300 1 183 24 24 ARG CB C 33.430 0.300 1 184 24 24 ARG CD C 43.081 0.300 1 185 24 24 ARG CG C 28.208 0.300 1 186 24 24 ARG N N 117.895 0.300 1 187 25 25 PHE H H 8.809 0.030 1 188 25 25 PHE HA H 4.825 0.030 1 189 25 25 PHE HB2 H 3.426 0.030 2 190 25 25 PHE HB3 H 2.559 0.030 2 191 25 25 PHE HD1 H 7.049 0.030 1 192 25 25 PHE HD2 H 7.049 0.030 1 193 25 25 PHE HE1 H 6.791 0.030 1 194 25 25 PHE HE2 H 6.791 0.030 1 195 25 25 PHE HZ H 5.847 0.030 1 196 25 25 PHE C C 175.571 0.300 1 197 25 25 PHE CA C 56.969 0.300 1 198 25 25 PHE CB C 44.102 0.300 1 199 25 25 PHE CD1 C 132.251 0.300 1 200 25 25 PHE CD2 C 132.251 0.300 1 201 25 25 PHE CE1 C 130.623 0.300 1 202 25 25 PHE CE2 C 130.623 0.300 1 203 25 25 PHE CZ C 128.842 0.300 1 204 25 25 PHE N N 116.760 0.300 1 205 26 26 THR H H 9.102 0.030 1 206 26 26 THR HA H 4.507 0.030 1 207 26 26 THR HB H 4.482 0.030 1 208 26 26 THR HG2 H 1.410 0.030 1 209 26 26 THR C C 174.501 0.300 1 210 26 26 THR CA C 63.991 0.300 1 211 26 26 THR CB C 69.667 0.300 1 212 26 26 THR CG2 C 22.825 0.300 1 213 26 26 THR N N 113.346 0.300 1 214 27 27 GLN H H 7.328 0.030 1 215 27 27 GLN HA H 4.782 0.030 1 216 27 27 GLN HB2 H 2.019 0.030 2 217 27 27 GLN HB3 H 2.257 0.030 2 218 27 27 GLN HE21 H 6.922 0.030 2 219 27 27 GLN HE22 H 7.523 0.030 2 220 27 27 GLN HG2 H 2.446 0.030 1 221 27 27 GLN HG3 H 2.446 0.030 1 222 27 27 GLN C C 175.500 0.300 1 223 27 27 GLN CA C 54.029 0.300 1 224 27 27 GLN CB C 32.176 0.300 1 225 27 27 GLN CG C 33.618 0.300 1 226 27 27 GLN N N 115.999 0.300 1 227 27 27 GLN NE2 N 112.146 0.300 1 228 28 28 SER H H 8.444 0.030 1 229 28 28 SER HA H 3.102 0.030 1 230 28 28 SER HB2 H 3.253 0.030 2 231 28 28 SER HB3 H 3.425 0.030 2 232 28 28 SER C C 177.548 0.300 1 233 28 28 SER CA C 60.824 0.300 1 234 28 28 SER CB C 62.114 0.300 1 235 28 28 SER N N 119.056 0.300 1 236 29 29 GLY HA2 H 3.673 0.030 2 237 29 29 GLY HA3 H 3.878 0.030 2 238 29 29 GLY C C 176.602 0.300 1 239 29 29 GLY CA C 47.251 0.300 1 240 30 30 THR H H 6.930 0.030 1 241 30 30 THR HA H 3.874 0.030 1 242 30 30 THR HB H 4.129 0.030 1 243 30 30 THR HG2 H 1.357 0.030 1 244 30 30 THR C C 176.685 0.300 1 245 30 30 THR CA C 64.974 0.300 1 246 30 30 THR CB C 68.078 0.300 1 247 30 30 THR CG2 C 23.658 0.300 1 248 30 30 THR N N 115.906 0.300 1 249 31 31 MET H H 6.951 0.030 1 250 31 31 MET HA H 2.403 0.030 1 251 31 31 MET HB2 H 2.259 0.030 2 252 31 31 MET HB3 H 1.468 0.030 2 253 31 31 MET HE H 2.157 0.030 1 254 31 31 MET HG2 H 2.101 0.030 2 255 31 31 MET HG3 H 2.213 0.030 2 256 31 31 MET C C 176.993 0.300 1 257 31 31 MET CA C 58.835 0.300 1 258 31 31 MET CB C 31.815 0.300 1 259 31 31 MET CE C 17.187 0.300 1 260 31 31 MET CG C 30.895 0.300 1 261 31 31 MET N N 123.059 0.300 1 262 32 32 LYS H H 8.288 0.030 1 263 32 32 LYS HA H 3.841 0.030 1 264 32 32 LYS HB2 H 1.826 0.030 1 265 32 32 LYS HB3 H 1.826 0.030 1 266 32 32 LYS HD2 H 1.596 0.030 1 267 32 32 LYS HD3 H 1.596 0.030 1 268 32 32 LYS HE2 H 2.849 0.030 1 269 32 32 LYS HE3 H 2.849 0.030 1 270 32 32 LYS HG2 H 1.352 0.030 2 271 32 32 LYS HG3 H 1.546 0.030 2 272 32 32 LYS C C 179.423 0.300 1 273 32 32 LYS CA C 60.330 0.300 1 274 32 32 LYS CB C 32.218 0.300 1 275 32 32 LYS CD C 29.339 0.300 1 276 32 32 LYS CE C 42.037 0.300 1 277 32 32 LYS CG C 25.709 0.300 1 278 32 32 LYS N N 119.245 0.300 1 279 33 33 MET H H 7.829 0.030 1 280 33 33 MET HA H 4.191 0.030 1 281 33 33 MET HB2 H 2.565 0.030 2 282 33 33 MET HB3 H 2.038 0.030 2 283 33 33 MET HE H 2.003 0.030 1 284 33 33 MET HG2 H 2.565 0.030 1 285 33 33 MET HG3 H 2.565 0.030 1 286 33 33 MET C C 177.424 0.300 1 287 33 33 MET CA C 57.779 0.300 1 288 33 33 MET CB C 31.815 0.300 1 289 33 33 MET CE C 16.813 0.300 1 290 33 33 MET CG C 31.848 0.300 1 291 33 33 MET N N 118.473 0.300 1 292 34 34 HIS H H 7.669 0.030 1 293 34 34 HIS HA H 4.265 0.030 1 294 34 34 HIS HB2 H 3.286 0.030 2 295 34 34 HIS HB3 H 2.887 0.030 2 296 34 34 HIS HD2 H 7.033 0.030 1 297 34 34 HIS HE1 H 7.931 0.030 1 298 34 34 HIS C C 176.376 0.300 1 299 34 34 HIS CA C 59.434 0.300 1 300 34 34 HIS CB C 27.316 0.300 1 301 34 34 HIS CD2 C 127.802 0.300 1 302 34 34 HIS CE1 C 138.870 0.300 1 303 34 34 HIS N N 119.785 0.300 1 304 35 35 ILE H H 8.144 0.030 1 305 35 35 ILE HA H 3.416 0.030 1 306 35 35 ILE HB H 1.938 0.030 1 307 35 35 ILE HD1 H 1.152 0.030 1 308 35 35 ILE HG12 H 1.571 0.030 2 309 35 35 ILE HG13 H 2.175 0.030 2 310 35 35 ILE HG2 H 0.982 0.030 1 311 35 35 ILE C C 178.507 0.300 1 312 35 35 ILE CA C 66.502 0.300 1 313 35 35 ILE CB C 38.129 0.300 1 314 35 35 ILE CD1 C 14.475 0.300 1 315 35 35 ILE CG1 C 30.871 0.300 1 316 35 35 ILE CG2 C 17.429 0.300 1 317 35 35 ILE N N 120.426 0.300 1 318 36 36 LEU H H 7.557 0.030 1 319 36 36 LEU HA H 4.046 0.030 1 320 36 36 LEU HB2 H 1.636 0.030 2 321 36 36 LEU HB3 H 1.759 0.030 2 322 36 36 LEU HD1 H 0.846 0.030 1 323 36 36 LEU HD2 H 0.859 0.030 1 324 36 36 LEU HG H 1.646 0.030 1 325 36 36 LEU C C 178.699 0.300 1 326 36 36 LEU CA C 57.530 0.300 1 327 36 36 LEU CB C 42.155 0.300 1 328 36 36 LEU CD1 C 24.108 0.300 2 329 36 36 LEU CD2 C 24.698 0.300 2 330 36 36 LEU CG C 27.038 0.300 1 331 36 36 LEU N N 119.046 0.300 1 332 37 37 GLN H H 8.127 0.030 1 333 37 37 GLN HA H 4.032 0.030 1 334 37 37 GLN HB2 H 1.927 0.030 2 335 37 37 GLN HB3 H 2.001 0.030 2 336 37 37 GLN HE21 H 7.353 0.030 2 337 37 37 GLN HE22 H 6.802 0.030 2 338 37 37 GLN HG2 H 2.517 0.030 2 339 37 37 GLN HG3 H 2.265 0.030 2 340 37 37 GLN C C 178.296 0.300 1 341 37 37 GLN CA C 58.130 0.300 1 342 37 37 GLN CB C 29.577 0.300 1 343 37 37 GLN CG C 34.258 0.300 1 344 37 37 GLN N N 114.901 0.300 1 345 37 37 GLN NE2 N 111.334 0.300 1 346 38 38 LYS H H 8.321 0.030 1 347 38 38 LYS HA H 4.237 0.030 1 348 38 38 LYS HB2 H 0.569 0.030 2 349 38 38 LYS HB3 H 0.932 0.030 2 350 38 38 LYS HD2 H 1.456 0.030 1 351 38 38 LYS HD3 H 1.456 0.030 1 352 38 38 LYS HE2 H 2.964 0.030 2 353 38 38 LYS HE3 H 2.906 0.030 2 354 38 38 LYS HG2 H 1.128 0.030 1 355 38 38 LYS HG3 H 1.128 0.030 1 356 38 38 LYS C C 177.381 0.300 1 357 38 38 LYS CA C 54.897 0.300 1 358 38 38 LYS CB C 31.627 0.300 1 359 38 38 LYS CD C 27.707 0.300 1 360 38 38 LYS CE C 42.125 0.300 1 361 38 38 LYS CG C 24.535 0.300 1 362 38 38 LYS N N 113.838 0.300 1 363 39 39 HIS H H 7.603 0.030 1 364 39 39 HIS HA H 5.316 0.030 1 365 39 39 HIS HB2 H 3.152 0.030 2 366 39 39 HIS HB3 H 3.258 0.030 2 367 39 39 HIS HD2 H 6.571 0.030 1 368 39 39 HIS HE1 H 7.960 0.030 1 369 39 39 HIS C C 174.849 0.300 1 370 39 39 HIS CA C 53.289 0.300 1 371 39 39 HIS CB C 29.534 0.300 1 372 39 39 HIS CD2 C 128.150 0.300 1 373 39 39 HIS CE1 C 139.422 0.300 1 374 39 39 HIS N N 115.328 0.300 1 375 40 40 THR H H 7.765 0.030 1 376 40 40 THR HA H 4.308 0.030 1 377 40 40 THR HB H 4.249 0.030 1 378 40 40 THR HG2 H 1.204 0.030 1 379 40 40 THR C C 174.677 0.300 1 380 40 40 THR CA C 63.087 0.300 1 381 40 40 THR CB C 69.709 0.300 1 382 40 40 THR CG2 C 21.656 0.300 1 383 40 40 THR N N 114.008 0.300 1 384 41 41 GLU H H 8.728 0.030 1 385 41 41 GLU HA H 4.270 0.030 1 386 41 41 GLU HB2 H 1.917 0.030 2 387 41 41 GLU HB3 H 2.033 0.030 2 388 41 41 GLU HG2 H 2.256 0.030 2 389 41 41 GLU HG3 H 2.209 0.030 2 390 41 41 GLU C C 176.239 0.300 1 391 41 41 GLU CA C 56.891 0.300 1 392 41 41 GLU CB C 30.203 0.300 1 393 41 41 GLU CG C 36.289 0.300 1 394 41 41 GLU N N 123.078 0.300 1 395 42 42 ASN H H 8.447 0.030 1 396 42 42 ASN HA H 4.654 0.030 1 397 42 42 ASN HB2 H 2.673 0.030 2 398 42 42 ASN HB3 H 2.823 0.030 2 399 42 42 ASN HD21 H 6.912 0.030 2 400 42 42 ASN HD22 H 7.568 0.030 2 401 42 42 ASN C C 174.934 0.300 1 402 42 42 ASN CA C 53.678 0.300 1 403 42 42 ASN CB C 38.860 0.300 1 404 42 42 ASN N N 119.338 0.300 1 405 42 42 ASN ND2 N 112.730 0.300 1 406 43 43 VAL H H 7.855 0.030 1 407 43 43 VAL HA H 4.115 0.030 1 408 43 43 VAL HB H 2.063 0.030 1 409 43 43 VAL HG1 H 0.852 0.030 1 410 43 43 VAL HG2 H 0.856 0.030 1 411 43 43 VAL C C 175.444 0.300 1 412 43 43 VAL CA C 62.022 0.300 1 413 43 43 VAL CB C 33.024 0.300 1 414 43 43 VAL CG1 C 20.416 0.300 2 415 43 43 VAL CG2 C 21.337 0.300 2 416 43 43 VAL N N 119.170 0.300 1 417 44 44 ALA H H 8.284 0.030 1 418 44 44 ALA HA H 4.265 0.030 1 419 44 44 ALA HB H 1.295 0.030 1 420 44 44 ALA C C 176.670 0.300 1 421 44 44 ALA CA C 52.322 0.300 1 422 44 44 ALA CB C 19.445 0.300 1 423 44 44 ALA N N 127.392 0.300 1 424 45 45 LYS H H 7.739 0.030 1 425 45 45 LYS HA H 4.222 0.030 1 426 45 45 LYS HB2 H 1.489 0.030 1 427 45 45 LYS HB3 H 1.489 0.030 1 428 45 45 LYS HD2 H 1.511 0.030 1 429 45 45 LYS HD3 H 1.511 0.030 1 430 45 45 LYS HE2 H 2.886 0.030 1 431 45 45 LYS HE3 H 2.886 0.030 1 432 45 45 LYS HG2 H 1.176 0.030 2 433 45 45 LYS HG3 H 1.255 0.030 2 434 45 45 LYS C C 174.998 0.300 1 435 45 45 LYS CA C 55.593 0.300 1 436 45 45 LYS CB C 33.996 0.300 1 437 45 45 LYS CD C 29.183 0.300 1 438 45 45 LYS CE C 42.144 0.300 1 439 45 45 LYS CG C 24.748 0.300 1 440 45 45 LYS N N 118.588 0.300 1 441 46 46 PHE H H 8.367 0.030 1 442 46 46 PHE HA H 4.642 0.030 1 443 46 46 PHE HB2 H 2.828 0.030 2 444 46 46 PHE HB3 H 2.928 0.030 2 445 46 46 PHE HD1 H 7.101 0.030 1 446 46 46 PHE HD2 H 7.101 0.030 1 447 46 46 PHE HE1 H 7.270 0.030 1 448 46 46 PHE HE2 H 7.270 0.030 1 449 46 46 PHE HZ H 7.270 0.030 1 450 46 46 PHE C C 173.990 0.300 1 451 46 46 PHE CA C 56.978 0.300 1 452 46 46 PHE CB C 40.307 0.300 1 453 46 46 PHE CD1 C 131.914 0.300 1 454 46 46 PHE CD2 C 131.914 0.300 1 455 46 46 PHE CE1 C 131.249 0.300 1 456 46 46 PHE CE2 C 131.249 0.300 1 457 46 46 PHE CZ C 129.704 0.300 1 458 46 46 PHE N N 119.982 0.300 1 459 47 47 HIS H H 8.466 0.030 1 460 47 47 HIS HA H 4.713 0.030 1 461 47 47 HIS HB2 H 2.970 0.030 2 462 47 47 HIS HB3 H 2.841 0.030 2 463 47 47 HIS HD2 H 6.893 0.030 1 464 47 47 HIS HE1 H 7.893 0.030 1 465 47 47 HIS C C 174.227 0.300 1 466 47 47 HIS CA C 55.135 0.300 1 467 47 47 HIS CB C 30.857 0.300 1 468 47 47 HIS CD2 C 121.690 0.300 1 469 47 47 HIS CE1 C 137.518 0.300 1 470 47 47 HIS N N 120.819 0.300 1 471 48 48 CYS H H 8.705 0.030 1 472 48 48 CYS HA H 4.500 0.030 1 473 48 48 CYS HB2 H 2.439 0.030 2 474 48 48 CYS HB3 H 3.248 0.030 2 475 48 48 CYS C C 175.325 0.300 1 476 48 48 CYS CA C 56.978 0.300 1 477 48 48 CYS CB C 30.159 0.300 1 478 48 48 CYS N N 126.434 0.300 1 479 49 49 PRO HA H 4.330 0.030 1 480 49 49 PRO HB2 H 2.105 0.030 2 481 49 49 PRO HB3 H 1.214 0.030 2 482 49 49 PRO HD2 H 3.819 0.030 2 483 49 49 PRO HD3 H 4.117 0.030 2 484 49 49 PRO HG2 H 1.337 0.030 2 485 49 49 PRO HG3 H 1.845 0.030 2 486 49 49 PRO C C 176.556 0.300 1 487 49 49 PRO CA C 63.860 0.300 1 488 49 49 PRO CB C 32.021 0.300 1 489 49 49 PRO CD C 51.164 0.300 1 490 49 49 PRO CG C 26.327 0.300 1 491 50 50 HIS H H 9.309 0.030 1 492 50 50 HIS HA H 4.692 0.030 1 493 50 50 HIS HB2 H 2.711 0.030 2 494 50 50 HIS HB3 H 1.554 0.030 2 495 50 50 HIS HD2 H 6.311 0.030 1 496 50 50 HIS HE1 H 7.652 0.030 1 497 50 50 HIS C C 175.155 0.300 1 498 50 50 HIS CA C 56.017 0.300 1 499 50 50 HIS CB C 30.852 0.300 1 500 50 50 HIS CD2 C 121.855 0.300 1 501 50 50 HIS CE1 C 139.439 0.300 1 502 50 50 HIS N N 119.004 0.300 1 503 51 51 CYS H H 7.969 0.030 1 504 51 51 CYS HA H 5.075 0.030 1 505 51 51 CYS HB2 H 3.429 0.030 2 506 51 51 CYS HB3 H 3.213 0.030 2 507 51 51 CYS C C 173.725 0.300 1 508 51 51 CYS CA C 58.589 0.300 1 509 51 51 CYS CB C 30.951 0.300 1 510 51 51 CYS N N 118.194 0.300 1 511 52 52 ASP H H 8.194 0.030 1 512 52 52 ASP HA H 4.709 0.030 1 513 52 52 ASP HB2 H 2.849 0.030 2 514 52 52 ASP HB3 H 2.679 0.030 2 515 52 52 ASP C C 175.963 0.300 1 516 52 52 ASP CA C 54.909 0.300 1 517 52 52 ASP CB C 40.792 0.300 1 518 52 52 ASP N N 117.711 0.300 1 519 53 53 THR H H 8.331 0.030 1 520 53 53 THR HA H 4.077 0.030 1 521 53 53 THR HB H 3.707 0.030 1 522 53 53 THR HG2 H 0.768 0.030 1 523 53 53 THR CA C 64.659 0.300 1 524 53 53 THR CB C 69.418 0.300 1 525 53 53 THR CG2 C 20.834 0.300 1 526 53 53 THR N N 119.645 0.300 1 527 54 54 VAL H H 8.262 0.030 1 528 54 54 VAL HA H 4.053 0.030 1 529 54 54 VAL HB H 1.758 0.030 1 530 54 54 VAL HG1 H 0.608 0.030 1 531 54 54 VAL HG2 H 0.678 0.030 1 532 54 54 VAL C C 175.136 0.300 1 533 54 54 VAL CA C 62.457 0.300 1 534 54 54 VAL CB C 32.259 0.300 1 535 54 54 VAL CG1 C 21.300 0.300 2 536 54 54 VAL CG2 C 21.364 0.300 2 537 54 54 VAL N N 126.890 0.300 1 538 55 55 ILE H H 8.628 0.030 1 539 55 55 ILE HA H 4.236 0.030 1 540 55 55 ILE HB H 1.609 0.030 1 541 55 55 ILE HD1 H 0.347 0.030 1 542 55 55 ILE HG12 H 1.071 0.030 1 543 55 55 ILE HG13 H 1.071 0.030 1 544 55 55 ILE HG2 H 0.818 0.030 1 545 55 55 ILE C C 175.224 0.300 1 546 55 55 ILE CA C 59.018 0.300 1 547 55 55 ILE CB C 39.187 0.300 1 548 55 55 ILE CD1 C 11.753 0.300 1 549 55 55 ILE CG1 C 26.964 0.300 1 550 55 55 ILE CG2 C 18.676 0.300 1 551 55 55 ILE N N 129.316 0.300 1 552 56 56 ALA H H 8.684 0.030 1 553 56 56 ALA HA H 4.277 0.030 1 554 56 56 ALA HB H 1.457 0.030 1 555 56 56 ALA C C 177.336 0.300 1 556 56 56 ALA CA C 54.584 0.300 1 557 56 56 ALA CB C 19.900 0.300 1 558 56 56 ALA N N 127.370 0.300 1 559 57 57 ARG H H 7.453 0.030 1 560 57 57 ARG HA H 4.713 0.030 1 561 57 57 ARG HB2 H 1.716 0.030 2 562 57 57 ARG HB3 H 1.907 0.030 2 563 57 57 ARG HD2 H 3.160 0.030 1 564 57 57 ARG HD3 H 3.160 0.030 1 565 57 57 ARG HG2 H 1.543 0.030 2 566 57 57 ARG HG3 H 1.612 0.030 2 567 57 57 ARG C C 176.304 0.300 1 568 57 57 ARG CA C 54.354 0.300 1 569 57 57 ARG CB C 32.621 0.300 1 570 57 57 ARG CD C 43.444 0.300 1 571 57 57 ARG CG C 26.576 0.300 1 572 57 57 ARG N N 113.317 0.300 1 573 58 58 LYS HA H 3.157 0.030 1 574 58 58 LYS HB2 H 1.588 0.030 2 575 58 58 LYS HB3 H 1.429 0.030 2 576 58 58 LYS HD2 H 1.508 0.030 1 577 58 58 LYS HD3 H 1.508 0.030 1 578 58 58 LYS HE2 H 2.839 0.030 1 579 58 58 LYS HE3 H 2.839 0.030 1 580 58 58 LYS HG2 H 0.988 0.030 2 581 58 58 LYS HG3 H 1.107 0.030 2 582 58 58 LYS CA C 60.021 0.300 1 583 58 58 LYS CB C 31.827 0.300 1 584 58 58 LYS CD C 29.462 0.300 1 585 58 58 LYS CE C 42.246 0.300 1 586 58 58 LYS CG C 24.913 0.300 1 587 59 59 SER HA H 4.133 0.030 1 588 59 59 SER HB2 H 3.813 0.030 2 589 59 59 SER HB3 H 3.939 0.030 2 590 59 59 SER C C 176.309 0.300 1 591 59 59 SER CA C 60.651 0.300 1 592 59 59 SER CB C 61.891 0.300 1 593 60 60 ASP H H 7.284 0.030 1 594 60 60 ASP HA H 4.674 0.030 1 595 60 60 ASP HB2 H 2.812 0.030 1 596 60 60 ASP HB3 H 2.812 0.030 1 597 60 60 ASP C C 178.315 0.300 1 598 60 60 ASP CA C 55.952 0.300 1 599 60 60 ASP CB C 41.084 0.300 1 600 60 60 ASP N N 121.127 0.300 1 601 61 61 LEU H H 7.844 0.030 1 602 61 61 LEU HA H 4.128 0.030 1 603 61 61 LEU HB2 H 2.056 0.030 2 604 61 61 LEU HB3 H 1.363 0.030 2 605 61 61 LEU HD1 H 1.015 0.030 1 606 61 61 LEU HD2 H 0.940 0.030 1 607 61 61 LEU HG H 1.665 0.030 1 608 61 61 LEU C C 177.849 0.300 1 609 61 61 LEU CA C 58.644 0.300 1 610 61 61 LEU CB C 40.902 0.300 1 611 61 61 LEU CD1 C 22.954 0.300 2 612 61 61 LEU CD2 C 25.955 0.300 2 613 61 61 LEU CG C 27.074 0.300 1 614 61 61 LEU N N 123.935 0.300 1 615 62 62 GLY H H 8.224 0.030 1 616 62 62 GLY HA2 H 4.001 0.030 2 617 62 62 GLY HA3 H 3.747 0.030 2 618 62 62 GLY C C 176.428 0.300 1 619 62 62 GLY CA C 47.826 0.300 1 620 62 62 GLY N N 106.439 0.300 1 621 63 63 VAL H H 7.408 0.030 1 622 63 63 VAL HA H 3.695 0.030 1 623 63 63 VAL HB H 2.124 0.030 1 624 63 63 VAL HG1 H 1.008 0.030 1 625 63 63 VAL HG2 H 1.104 0.030 1 626 63 63 VAL C C 177.460 0.300 1 627 63 63 VAL CA C 66.178 0.300 1 628 63 63 VAL CB C 32.054 0.300 1 629 63 63 VAL CG1 C 21.089 0.300 2 630 63 63 VAL CG2 C 22.264 0.300 2 631 63 63 VAL N N 121.034 0.300 1 632 64 64 HIS H H 7.832 0.030 1 633 64 64 HIS HA H 4.336 0.030 1 634 64 64 HIS HB2 H 3.551 0.030 2 635 64 64 HIS HB3 H 3.286 0.030 2 636 64 64 HIS HD2 H 7.290 0.030 1 637 64 64 HIS HE1 H 7.844 0.030 1 638 64 64 HIS C C 177.160 0.300 1 639 64 64 HIS CA C 60.226 0.300 1 640 64 64 HIS CB C 28.166 0.300 1 641 64 64 HIS CD2 C 127.149 0.300 1 642 64 64 HIS CE1 C 139.556 0.300 1 643 64 64 HIS N N 119.639 0.300 1 644 65 65 LEU H H 8.906 0.030 1 645 65 65 LEU HA H 3.853 0.030 1 646 65 65 LEU HB2 H 1.963 0.030 2 647 65 65 LEU HB3 H 1.301 0.030 2 648 65 65 LEU HD1 H 0.846 0.030 1 649 65 65 LEU HD2 H 1.070 0.030 1 650 65 65 LEU HG H 2.026 0.030 1 651 65 65 LEU C C 179.756 0.300 1 652 65 65 LEU CA C 58.793 0.300 1 653 65 65 LEU CB C 41.415 0.300 1 654 65 65 LEU CD1 C 25.852 0.300 2 655 65 65 LEU CD2 C 24.243 0.300 2 656 65 65 LEU CG C 26.979 0.300 1 657 65 65 LEU N N 118.659 0.300 1 658 66 66 ARG H H 7.714 0.030 1 659 66 66 ARG HA H 4.112 0.030 1 660 66 66 ARG HB2 H 1.898 0.030 1 661 66 66 ARG HB3 H 1.898 0.030 1 662 66 66 ARG HD2 H 3.170 0.030 1 663 66 66 ARG HD3 H 3.170 0.030 1 664 66 66 ARG HG2 H 1.574 0.030 2 665 66 66 ARG HG3 H 1.766 0.030 2 666 66 66 ARG C C 178.171 0.300 1 667 66 66 ARG CA C 59.017 0.300 1 668 66 66 ARG CB C 30.556 0.300 1 669 66 66 ARG CD C 43.444 0.300 1 670 66 66 ARG CG C 27.675 0.300 1 671 66 66 ARG N N 118.008 0.300 1 672 67 67 LYS H H 8.376 0.030 1 673 67 67 LYS HA H 4.082 0.030 1 674 67 67 LYS HB2 H 1.758 0.030 2 675 67 67 LYS HB3 H 1.861 0.030 2 676 67 67 LYS HD2 H 1.630 0.030 1 677 67 67 LYS HD3 H 1.630 0.030 1 678 67 67 LYS HE2 H 2.927 0.030 1 679 67 67 LYS HE3 H 2.927 0.030 1 680 67 67 LYS HG2 H 1.386 0.030 2 681 67 67 LYS HG3 H 1.532 0.030 2 682 67 67 LYS C C 178.494 0.300 1 683 67 67 LYS CA C 58.742 0.300 1 684 67 67 LYS CB C 33.323 0.300 1 685 67 67 LYS CD C 29.094 0.300 1 686 67 67 LYS CE C 42.051 0.300 1 687 67 67 LYS CG C 25.394 0.300 1 688 67 67 LYS N N 117.406 0.300 1 689 68 68 GLN H H 8.290 0.030 1 690 68 68 GLN HA H 4.245 0.030 1 691 68 68 GLN HB2 H 1.102 0.030 2 692 68 68 GLN HB3 H 0.902 0.030 2 693 68 68 GLN HE21 H 6.845 0.030 2 694 68 68 GLN HE22 H 7.393 0.030 2 695 68 68 GLN HG2 H 1.975 0.030 1 696 68 68 GLN HG3 H 1.975 0.030 1 697 68 68 GLN C C 176.531 0.300 1 698 68 68 GLN CA C 55.390 0.300 1 699 68 68 GLN CB C 29.134 0.300 1 700 68 68 GLN CG C 33.928 0.300 1 701 68 68 GLN N N 113.574 0.300 1 702 68 68 GLN NE2 N 111.958 0.300 1 703 69 69 HIS H H 7.036 0.030 1 704 69 69 HIS HA H 5.089 0.030 1 705 69 69 HIS HB2 H 3.066 0.030 2 706 69 69 HIS HB3 H 3.151 0.030 2 707 69 69 HIS HD2 H 6.572 0.030 1 708 69 69 HIS HE1 H 7.948 0.030 1 709 69 69 HIS C C 174.370 0.300 1 710 69 69 HIS CA C 53.407 0.300 1 711 69 69 HIS CB C 28.980 0.300 1 712 69 69 HIS CD2 C 127.702 0.300 1 713 69 69 HIS CE1 C 140.022 0.300 1 714 69 69 HIS N N 113.797 0.300 1 715 70 70 SER H H 7.812 0.030 1 716 70 70 SER HA H 4.281 0.030 1 717 70 70 SER HB2 H 3.878 0.030 2 718 70 70 SER HB3 H 3.952 0.030 2 719 70 70 SER C C 174.172 0.300 1 720 70 70 SER CA C 58.897 0.300 1 721 70 70 SER CB C 62.458 0.300 1 722 70 70 SER N N 113.291 0.300 1 723 71 71 TYR H H 8.037 0.030 1 724 71 71 TYR HA H 4.536 0.030 1 725 71 71 TYR HB2 H 2.819 0.030 1 726 71 71 TYR HB3 H 2.819 0.030 1 727 71 71 TYR HD1 H 7.086 0.030 1 728 71 71 TYR HD2 H 7.086 0.030 1 729 71 71 TYR HE1 H 6.755 0.030 1 730 71 71 TYR HE2 H 6.755 0.030 1 731 71 71 TYR C C 175.818 0.300 1 732 71 71 TYR CA C 58.193 0.300 1 733 71 71 TYR CB C 38.891 0.300 1 734 71 71 TYR CD1 C 133.174 0.300 1 735 71 71 TYR CD2 C 133.174 0.300 1 736 71 71 TYR CE1 C 118.300 0.300 1 737 71 71 TYR CE2 C 118.300 0.300 1 738 71 71 TYR N N 121.598 0.300 1 739 72 72 SER HA H 4.427 0.030 1 740 72 72 SER HB2 H 3.749 0.030 1 741 72 72 SER HB3 H 3.749 0.030 1 742 72 72 SER CA C 58.151 0.300 1 743 72 72 SER CB C 64.151 0.300 1 744 73 73 GLY H H 7.413 0.030 1 745 73 73 GLY HA2 H 3.998 0.030 1 746 73 73 GLY HA3 H 3.998 0.030 1 747 73 73 GLY CA C 44.588 0.300 1 748 73 73 GLY N N 109.755 0.300 1 749 74 74 PRO HA H 4.476 0.030 1 750 74 74 PRO HB2 H 2.287 0.030 2 751 74 74 PRO HB3 H 1.972 0.030 2 752 74 74 PRO HD2 H 3.602 0.030 1 753 74 74 PRO HD3 H 3.602 0.030 1 754 74 74 PRO HG2 H 2.002 0.030 1 755 74 74 PRO HG3 H 2.002 0.030 1 756 74 74 PRO CA C 63.248 0.300 1 757 74 74 PRO CB C 32.294 0.300 1 758 74 74 PRO CD C 49.765 0.300 1 759 74 74 PRO CG C 27.159 0.300 1 stop_ save_