data_10257 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structures of the C2H2 type zinc finger domain of human zinc finger BED domain containing protein 2 ; _BMRB_accession_number 10257 _BMRB_flat_file_name bmr10257.str _Entry_type new _Submission_date 2008-11-21 _Accession_date 2008-11-21 _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 Sato M. . . 2 Sasagawa A. . . 3 Tochio N. . . 4 Koshiba S. . . 5 Inoue M. . . 6 Kigawa 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" 373 "13C chemical shifts" 282 "15N chemical shifts" 59 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-11-24 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structures of the C2H2 type zinc finger domain of human zinc finger BED domain containing protein 2 ; _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 Sato M. . . 2 Sasagawa A. . . 3 Tochio N. . . 4 Koshiba S. . . 5 Inoue M. . . 6 Kigawa 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 'Zinc finger BED domain-containing protein 2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'C2H2 type zinc finger domain' $entity_1 'ZINC ION' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'C2H2 type zinc finger domain' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 76 _Mol_residue_sequence ; GSSGSSGSEAWEYFHLAPAR AGHHPNQYATCRLCGRQVSR GPGVNVGTTALWKHLKSMHR EELEKSGHGQSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 SER 9 GLU 10 ALA 11 TRP 12 GLU 13 TYR 14 PHE 15 HIS 16 LEU 17 ALA 18 PRO 19 ALA 20 ARG 21 ALA 22 GLY 23 HIS 24 HIS 25 PRO 26 ASN 27 GLN 28 TYR 29 ALA 30 THR 31 CYS 32 ARG 33 LEU 34 CYS 35 GLY 36 ARG 37 GLN 38 VAL 39 SER 40 ARG 41 GLY 42 PRO 43 GLY 44 VAL 45 ASN 46 VAL 47 GLY 48 THR 49 THR 50 ALA 51 LEU 52 TRP 53 LYS 54 HIS 55 LEU 56 LYS 57 SER 58 MET 59 HIS 60 ARG 61 GLU 62 GLU 63 LEU 64 GLU 65 LYS 66 SER 67 GLY 68 HIS 69 GLY 70 GLN 71 SER 72 GLY 73 PRO 74 SER 75 SER 76 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-23 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 2DJR "Solution Structures Of The C2h2 Type Zinc Finger Domain Of Human Zinc Finger Bed Domain Containing Protein 2" 100.00 76 100.00 100.00 1.24e-46 stop_ save_ ######################################## # Molecular bond linkage definitions # ######################################## save_crosslink_bonds _Saveframe_category crosslink_bonds loop_ _Bond_order _Bond_type _Atom_one_mol_system_component_name _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_mol_system_component_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name single coordination 'C2H2 type zinc finger domain' 31 CYS SG 'ZINC ION' . . ZN single coordination 'C2H2 type zinc finger domain' 34 CYS SG 'ZINC ION' . . ZN single coordination 'C2H2 type zinc finger domain' 54 HIS NE2 'ZINC ION' . . ZN single coordination 'C2H2 type zinc finger domain' 59 HIS NE2 'ZINC ION' . . ZN stop_ loop_ _Deleted_atom_mol_system_component_name _Deleted_atom_residue_seq_code _Deleted_atom_residue_label _Deleted_atom_name 'C2H2 type zinc finger domain' 31 CYS HG 'C2H2 type zinc finger domain' 34 CYS HG 'C2H2 type zinc finger domain' 54 HIS HE2 'C2H2 type zinc finger domain' 59 HIS HE2 stop_ 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' . . . . plasmid P050302-53 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . ZnCl2 0.05 mM . IDA 1 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _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_software_4 _Saveframe_category software _Name Kujira _Version 0.932 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guentert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-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 'C2H2 type 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 7 7 GLY HA2 H 4.246 0.030 2 2 7 7 GLY HA3 H 4.111 0.030 2 3 7 7 GLY CA C 46.145 0.300 1 4 8 8 SER HA H 4.472 0.030 1 5 8 8 SER HB2 H 4.142 0.030 2 6 8 8 SER HB3 H 4.043 0.030 2 7 8 8 SER C C 175.844 0.300 1 8 8 8 SER CA C 60.307 0.300 1 9 8 8 SER CB C 63.621 0.300 1 10 9 9 GLU H H 9.766 0.030 1 11 9 9 GLU HA H 4.354 0.030 1 12 9 9 GLU HB2 H 2.168 0.030 2 13 9 9 GLU HB3 H 2.090 0.030 2 14 9 9 GLU HG2 H 2.483 0.030 1 15 9 9 GLU HG3 H 2.483 0.030 1 16 9 9 GLU C C 177.495 0.300 1 17 9 9 GLU CA C 58.823 0.300 1 18 9 9 GLU CB C 29.080 0.300 1 19 9 9 GLU CG C 36.716 0.300 1 20 9 9 GLU N N 124.626 0.300 1 21 10 10 ALA H H 7.788 0.030 1 22 10 10 ALA HA H 3.387 0.030 1 23 10 10 ALA HB H 0.291 0.030 1 24 10 10 ALA C C 179.145 0.300 1 25 10 10 ALA CA C 54.588 0.300 1 26 10 10 ALA CB C 17.451 0.300 1 27 10 10 ALA N N 120.412 0.300 1 28 11 11 TRP H H 7.481 0.030 1 29 11 11 TRP HA H 4.440 0.030 1 30 11 11 TRP HB2 H 3.210 0.030 2 31 11 11 TRP HB3 H 3.577 0.030 2 32 11 11 TRP HD1 H 7.398 0.030 1 33 11 11 TRP HE1 H 10.107 0.030 1 34 11 11 TRP HE3 H 7.647 0.030 1 35 11 11 TRP HH2 H 6.901 0.030 1 36 11 11 TRP HZ2 H 7.316 0.030 1 37 11 11 TRP HZ3 H 6.697 0.030 1 38 11 11 TRP C C 177.373 0.300 1 39 11 11 TRP CA C 59.460 0.300 1 40 11 11 TRP CB C 29.033 0.300 1 41 11 11 TRP CD1 C 127.153 0.300 1 42 11 11 TRP CE3 C 121.035 0.300 1 43 11 11 TRP CH2 C 123.902 0.300 1 44 11 11 TRP CZ2 C 114.481 0.300 1 45 11 11 TRP CZ3 C 121.115 0.300 1 46 11 11 TRP N N 113.286 0.300 1 47 11 11 TRP NE1 N 128.681 0.300 1 48 12 12 GLU H H 7.771 0.030 1 49 12 12 GLU HA H 4.100 0.030 1 50 12 12 GLU HB2 H 1.767 0.030 2 51 12 12 GLU HB3 H 1.700 0.030 2 52 12 12 GLU HG2 H 2.082 0.030 1 53 12 12 GLU HG3 H 2.082 0.030 1 54 12 12 GLU C C 177.543 0.300 1 55 12 12 GLU CA C 58.195 0.300 1 56 12 12 GLU CB C 29.265 0.300 1 57 12 12 GLU CG C 36.221 0.300 1 58 12 12 GLU N N 117.805 0.300 1 59 13 13 TYR H H 7.748 0.030 1 60 13 13 TYR HA H 4.181 0.030 1 61 13 13 TYR HB2 H 2.653 0.030 2 62 13 13 TYR HB3 H 2.962 0.030 2 63 13 13 TYR HD1 H 6.838 0.030 1 64 13 13 TYR HD2 H 6.838 0.030 1 65 13 13 TYR HE1 H 6.650 0.030 1 66 13 13 TYR HE2 H 6.650 0.030 1 67 13 13 TYR C C 172.809 0.300 1 68 13 13 TYR CA C 58.524 0.300 1 69 13 13 TYR CB C 40.503 0.300 1 70 13 13 TYR CD1 C 133.348 0.300 1 71 13 13 TYR CD2 C 133.348 0.300 1 72 13 13 TYR CE1 C 117.745 0.300 1 73 13 13 TYR CE2 C 117.745 0.300 1 74 13 13 TYR N N 114.665 0.300 1 75 14 14 PHE H H 7.590 0.030 1 76 14 14 PHE HA H 5.336 0.030 1 77 14 14 PHE HB2 H 2.781 0.030 2 78 14 14 PHE HB3 H 2.567 0.030 2 79 14 14 PHE HD1 H 7.040 0.030 1 80 14 14 PHE HD2 H 7.040 0.030 1 81 14 14 PHE HE1 H 6.904 0.030 1 82 14 14 PHE HE2 H 6.904 0.030 1 83 14 14 PHE HZ H 7.189 0.030 1 84 14 14 PHE C C 174.508 0.300 1 85 14 14 PHE CA C 56.895 0.300 1 86 14 14 PHE CB C 45.117 0.300 1 87 14 14 PHE CD1 C 132.451 0.300 1 88 14 14 PHE CD2 C 132.451 0.300 1 89 14 14 PHE CE1 C 130.867 0.300 1 90 14 14 PHE CE2 C 130.867 0.300 1 91 14 14 PHE CZ C 128.780 0.300 1 92 14 14 PHE N N 115.479 0.300 1 93 15 15 HIS H H 9.046 0.030 1 94 15 15 HIS HA H 5.111 0.030 1 95 15 15 HIS HB2 H 3.134 0.030 2 96 15 15 HIS HB3 H 3.044 0.030 2 97 15 15 HIS HD2 H 6.850 0.030 1 98 15 15 HIS HE1 H 7.712 0.030 1 99 15 15 HIS C C 175.455 0.300 1 100 15 15 HIS CA C 54.841 0.300 1 101 15 15 HIS CB C 33.210 0.300 1 102 15 15 HIS CD2 C 120.113 0.300 1 103 15 15 HIS CE1 C 138.423 0.300 1 104 15 15 HIS N N 118.065 0.300 1 105 16 16 LEU H H 8.899 0.030 1 106 16 16 LEU HA H 4.624 0.030 1 107 16 16 LEU HB2 H 1.587 0.030 1 108 16 16 LEU HB3 H 1.587 0.030 1 109 16 16 LEU HD1 H 0.833 0.030 1 110 16 16 LEU HD2 H 0.842 0.030 1 111 16 16 LEU HG H 1.633 0.030 1 112 16 16 LEU C C 176.256 0.300 1 113 16 16 LEU CA C 54.947 0.300 1 114 16 16 LEU CB C 42.540 0.300 1 115 16 16 LEU CD1 C 24.747 0.300 2 116 16 16 LEU CD2 C 24.213 0.300 2 117 16 16 LEU CG C 27.147 0.300 1 118 16 16 LEU N N 125.895 0.300 1 119 17 17 ALA H H 8.412 0.030 1 120 17 17 ALA HA H 4.574 0.030 1 121 17 17 ALA HB H 1.257 0.030 1 122 17 17 ALA C C 175.188 0.300 1 123 17 17 ALA CA C 50.400 0.300 1 124 17 17 ALA CB C 18.205 0.300 1 125 17 17 ALA N N 128.151 0.300 1 126 18 18 PRO HA H 4.373 0.030 1 127 18 18 PRO HB2 H 1.836 0.030 2 128 18 18 PRO HB3 H 2.285 0.030 2 129 18 18 PRO HD2 H 3.820 0.030 2 130 18 18 PRO HD3 H 3.599 0.030 2 131 18 18 PRO HG2 H 2.012 0.030 1 132 18 18 PRO HG3 H 2.012 0.030 1 133 18 18 PRO C C 176.621 0.300 1 134 18 18 PRO CA C 62.911 0.300 1 135 18 18 PRO CB C 32.105 0.300 1 136 18 18 PRO CD C 50.499 0.300 1 137 18 18 PRO CG C 27.575 0.300 1 138 19 19 ALA H H 8.434 0.030 1 139 19 19 ALA HA H 4.300 0.030 1 140 19 19 ALA HB H 1.336 0.030 1 141 19 19 ALA C C 177.834 0.300 1 142 19 19 ALA CA C 52.515 0.300 1 143 19 19 ALA CB C 19.359 0.300 1 144 19 19 ALA N N 125.267 0.300 1 145 20 20 ARG H H 8.450 0.030 1 146 20 20 ARG HA H 4.366 0.030 1 147 20 20 ARG HB2 H 1.750 0.030 2 148 20 20 ARG HB3 H 1.569 0.030 2 149 20 20 ARG HD2 H 3.017 0.030 2 150 20 20 ARG HD3 H 2.968 0.030 2 151 20 20 ARG HG2 H 1.555 0.030 1 152 20 20 ARG HG3 H 1.555 0.030 1 153 20 20 ARG C C 175.795 0.300 1 154 20 20 ARG CA C 55.405 0.300 1 155 20 20 ARG CB C 31.685 0.300 1 156 20 20 ARG CD C 43.413 0.300 1 157 20 20 ARG CG C 26.957 0.300 1 158 20 20 ARG N N 121.353 0.300 1 159 21 21 ALA HA H 4.229 0.030 1 160 21 21 ALA HB H 1.372 0.030 1 161 21 21 ALA CA C 53.263 0.300 1 162 21 21 ALA CB C 18.577 0.300 1 163 22 22 GLY C C 175.407 0.300 1 164 23 23 HIS HA H 4.768 0.030 1 165 23 23 HIS HB2 H 3.074 0.030 2 166 23 23 HIS HB3 H 3.007 0.030 2 167 23 23 HIS HD2 H 6.999 0.030 1 168 23 23 HIS HE1 H 7.768 0.030 1 169 23 23 HIS C C 178.611 0.300 1 170 23 23 HIS CA C 55.004 0.300 1 171 23 23 HIS CB C 30.750 0.300 1 172 23 23 HIS CD2 C 119.852 0.300 1 173 23 23 HIS CE1 C 138.434 0.300 1 174 24 24 HIS HA H 4.673 0.030 1 175 24 24 HIS HB2 H 3.099 0.030 2 176 24 24 HIS HB3 H 3.035 0.030 2 177 24 24 HIS HD2 H 6.879 0.030 1 178 24 24 HIS HE1 H 7.771 0.030 1 179 24 24 HIS C C 179.801 0.300 1 180 24 24 HIS CA C 55.610 0.300 1 181 24 24 HIS CB C 31.802 0.300 1 182 24 24 HIS CD2 C 120.366 0.300 1 183 24 24 HIS CE1 C 138.673 0.300 1 184 25 25 PRO HA H 4.429 0.030 1 185 25 25 PRO HB2 H 1.899 0.030 2 186 25 25 PRO HB3 H 2.268 0.030 2 187 25 25 PRO HD2 H 3.655 0.030 2 188 25 25 PRO HD3 H 3.283 0.030 2 189 25 25 PRO HG2 H 1.943 0.030 1 190 25 25 PRO HG3 H 1.943 0.030 1 191 25 25 PRO C C 176.888 0.300 1 192 25 25 PRO CA C 63.902 0.300 1 193 25 25 PRO CB C 32.124 0.300 1 194 25 25 PRO CD C 50.594 0.300 1 195 25 25 PRO CG C 27.338 0.300 1 196 26 26 ASN H H 9.047 0.030 1 197 26 26 ASN HA H 4.788 0.030 1 198 26 26 ASN HB2 H 2.837 0.030 2 199 26 26 ASN HB3 H 2.768 0.030 2 200 26 26 ASN HD21 H 6.923 0.030 2 201 26 26 ASN HD22 H 7.492 0.030 2 202 26 26 ASN C C 175.140 0.300 1 203 26 26 ASN CA C 53.185 0.300 1 204 26 26 ASN CB C 38.696 0.300 1 205 26 26 ASN N N 118.042 0.300 1 206 26 26 ASN ND2 N 112.374 0.300 1 207 27 27 GLN H H 8.231 0.030 1 208 27 27 GLN HA H 4.226 0.030 1 209 27 27 GLN HB2 H 2.042 0.030 2 210 27 27 GLN HB3 H 1.969 0.030 2 211 27 27 GLN HE21 H 7.302 0.030 2 212 27 27 GLN HE22 H 6.938 0.030 2 213 27 27 GLN HG2 H 2.236 0.030 2 214 27 27 GLN HG3 H 2.040 0.030 2 215 27 27 GLN C C 175.212 0.300 1 216 27 27 GLN CA C 57.149 0.300 1 217 27 27 GLN CB C 29.741 0.300 1 218 27 27 GLN CG C 34.105 0.300 1 219 27 27 GLN N N 119.679 0.300 1 220 27 27 GLN NE2 N 112.183 0.300 1 221 28 28 TYR H H 8.059 0.030 1 222 28 28 TYR HA H 5.109 0.030 1 223 28 28 TYR HB2 H 2.762 0.030 1 224 28 28 TYR HB3 H 2.762 0.030 1 225 28 28 TYR HD1 H 6.851 0.030 1 226 28 28 TYR HD2 H 6.851 0.030 1 227 28 28 TYR HE1 H 6.659 0.030 1 228 28 28 TYR HE2 H 6.659 0.030 1 229 28 28 TYR C C 174.290 0.300 1 230 28 28 TYR CA C 56.779 0.300 1 231 28 28 TYR CB C 41.333 0.300 1 232 28 28 TYR CD1 C 133.098 0.300 1 233 28 28 TYR CD2 C 133.098 0.300 1 234 28 28 TYR CE1 C 118.159 0.300 1 235 28 28 TYR CE2 C 118.159 0.300 1 236 28 28 TYR N N 116.269 0.300 1 237 29 29 ALA H H 8.837 0.030 1 238 29 29 ALA HA H 5.054 0.030 1 239 29 29 ALA HB H 1.225 0.030 1 240 29 29 ALA C C 175.795 0.300 1 241 29 29 ALA CA C 50.612 0.300 1 242 29 29 ALA CB C 23.046 0.300 1 243 29 29 ALA N N 123.222 0.300 1 244 30 30 THR H H 9.217 0.030 1 245 30 30 THR HA H 4.828 0.030 1 246 30 30 THR HB H 3.774 0.030 1 247 30 30 THR HG2 H 1.025 0.030 1 248 30 30 THR C C 173.659 0.300 1 249 30 30 THR CA C 62.383 0.300 1 250 30 30 THR CB C 70.058 0.300 1 251 30 30 THR CG2 C 21.714 0.300 1 252 30 30 THR N N 119.265 0.300 1 253 31 31 CYS H H 8.927 0.030 1 254 31 31 CYS HA H 3.606 0.030 1 255 31 31 CYS HB2 H 2.321 0.030 2 256 31 31 CYS HB3 H 3.098 0.030 2 257 31 31 CYS C C 177.956 0.300 1 258 31 31 CYS CA C 59.743 0.300 1 259 31 31 CYS CB C 29.971 0.300 1 260 31 31 CYS N N 130.893 0.300 1 261 32 32 ARG H H 9.393 0.030 1 262 32 32 ARG HA H 4.043 0.030 1 263 32 32 ARG HB2 H 1.424 0.030 2 264 32 32 ARG HB3 H 1.687 0.030 2 265 32 32 ARG HD2 H 2.951 0.030 2 266 32 32 ARG HD3 H 2.888 0.030 2 267 32 32 ARG HG2 H 1.202 0.030 2 268 32 32 ARG HG3 H 1.327 0.030 2 269 32 32 ARG C C 176.693 0.300 1 270 32 32 ARG CA C 58.471 0.300 1 271 32 32 ARG CB C 30.553 0.300 1 272 32 32 ARG CD C 43.334 0.300 1 273 32 32 ARG CG C 28.100 0.300 1 274 32 32 ARG N N 130.594 0.300 1 275 33 33 LEU H H 9.135 0.030 1 276 33 33 LEU HA H 4.243 0.030 1 277 33 33 LEU HB2 H 0.954 0.030 2 278 33 33 LEU HB3 H 0.856 0.030 2 279 33 33 LEU HD1 H 0.272 0.030 1 280 33 33 LEU HD2 H 0.711 0.030 1 281 33 33 LEU HG H 1.375 0.030 1 282 33 33 LEU C C 178.150 0.300 1 283 33 33 LEU CA C 56.709 0.300 1 284 33 33 LEU CB C 41.387 0.300 1 285 33 33 LEU CD1 C 25.032 0.300 2 286 33 33 LEU CD2 C 22.013 0.300 2 287 33 33 LEU CG C 26.861 0.300 1 288 33 33 LEU N N 121.037 0.300 1 289 34 34 CYS H H 8.186 0.030 1 290 34 34 CYS HA H 5.200 0.030 1 291 34 34 CYS HB2 H 3.045 0.030 2 292 34 34 CYS HB3 H 3.418 0.030 2 293 34 34 CYS C C 176.329 0.300 1 294 34 34 CYS CA C 58.365 0.300 1 295 34 34 CYS CB C 32.799 0.300 1 296 34 34 CYS N N 115.308 0.300 1 297 35 35 GLY H H 8.027 0.030 1 298 35 35 GLY HA2 H 3.808 0.030 2 299 35 35 GLY HA3 H 4.196 0.030 2 300 35 35 GLY C C 173.683 0.300 1 301 35 35 GLY CA C 46.313 0.300 1 302 35 35 GLY N N 113.546 0.300 1 303 36 36 ARG H H 8.272 0.030 1 304 36 36 ARG HA H 4.273 0.030 1 305 36 36 ARG HB2 H 1.732 0.030 2 306 36 36 ARG HB3 H 1.611 0.030 2 307 36 36 ARG HD2 H 3.253 0.030 1 308 36 36 ARG HD3 H 3.253 0.030 1 309 36 36 ARG HG2 H 1.835 0.030 2 310 36 36 ARG HG3 H 1.627 0.030 2 311 36 36 ARG C C 175.625 0.300 1 312 36 36 ARG CA C 56.774 0.300 1 313 36 36 ARG CB C 31.112 0.300 1 314 36 36 ARG CD C 43.446 0.300 1 315 36 36 ARG CG C 28.386 0.300 1 316 36 36 ARG N N 121.138 0.300 1 317 37 37 GLN H H 8.509 0.030 1 318 37 37 GLN HA H 4.888 0.030 1 319 37 37 GLN HB2 H 1.641 0.030 2 320 37 37 GLN HB3 H 1.852 0.030 2 321 37 37 GLN HE21 H 7.172 0.030 2 322 37 37 GLN HE22 H 6.500 0.030 2 323 37 37 GLN HG2 H 2.306 0.030 2 324 37 37 GLN HG3 H 2.207 0.030 2 325 37 37 GLN C C 176.184 0.300 1 326 37 37 GLN CA C 55.475 0.300 1 327 37 37 GLN CB C 29.426 0.300 1 328 37 37 GLN CG C 34.210 0.300 1 329 37 37 GLN N N 120.322 0.300 1 330 37 37 GLN NE2 N 111.000 0.300 1 331 38 38 VAL H H 9.281 0.030 1 332 38 38 VAL HA H 4.216 0.030 1 333 38 38 VAL HB H 1.723 0.030 1 334 38 38 VAL HG1 H 0.686 0.030 1 335 38 38 VAL HG2 H 0.524 0.030 1 336 38 38 VAL C C 174.848 0.300 1 337 38 38 VAL CA C 61.243 0.300 1 338 38 38 VAL CB C 34.146 0.300 1 339 38 38 VAL CG1 C 21.313 0.300 2 340 38 38 VAL CG2 C 20.682 0.300 2 341 38 38 VAL N N 125.546 0.300 1 342 39 39 SER H H 8.590 0.030 1 343 39 39 SER HA H 4.348 0.030 1 344 39 39 SER HB2 H 3.789 0.030 2 345 39 39 SER HB3 H 3.737 0.030 2 346 39 39 SER C C 174.800 0.300 1 347 39 39 SER CA C 57.731 0.300 1 348 39 39 SER CB C 64.121 0.300 1 349 39 39 SER N N 120.236 0.300 1 350 40 40 ARG H H 8.684 0.030 1 351 40 40 ARG HA H 4.189 0.030 1 352 40 40 ARG HB2 H 1.703 0.030 2 353 40 40 ARG HB3 H 1.906 0.030 2 354 40 40 ARG HD2 H 3.149 0.030 1 355 40 40 ARG HD3 H 3.149 0.030 1 356 40 40 ARG HG2 H 1.437 0.030 2 357 40 40 ARG HG3 H 1.636 0.030 2 358 40 40 ARG C C 176.062 0.300 1 359 40 40 ARG CA C 56.674 0.300 1 360 40 40 ARG CB C 31.302 0.300 1 361 40 40 ARG CD C 43.923 0.300 1 362 40 40 ARG CG C 27.288 0.300 1 363 40 40 ARG N N 123.390 0.300 1 364 41 41 GLY H H 7.970 0.030 1 365 41 41 GLY HA2 H 3.920 0.030 2 366 41 41 GLY HA3 H 4.216 0.030 2 367 41 41 GLY C C 171.037 0.300 1 368 41 41 GLY CA C 44.269 0.300 1 369 41 41 GLY N N 107.997 0.300 1 370 42 42 PRO HA H 4.462 0.030 1 371 42 42 PRO HB2 H 2.183 0.030 2 372 42 42 PRO HB3 H 1.957 0.030 2 373 42 42 PRO HD2 H 3.618 0.030 2 374 42 42 PRO HD3 H 3.553 0.030 2 375 42 42 PRO HG2 H 2.012 0.030 1 376 42 42 PRO HG3 H 2.012 0.030 1 377 42 42 PRO C C 176.451 0.300 1 378 42 42 PRO CA C 63.179 0.300 1 379 42 42 PRO CB C 32.144 0.300 1 380 42 42 PRO CD C 49.585 0.300 1 381 42 42 PRO CG C 27.085 0.300 1 382 43 43 GLY H H 8.388 0.030 1 383 43 43 GLY HA2 H 4.065 0.030 2 384 43 43 GLY HA3 H 3.808 0.030 2 385 43 43 GLY CA C 45.278 0.300 1 386 43 43 GLY N N 109.409 0.300 1 387 44 44 VAL H H 7.913 0.030 1 388 44 44 VAL HA H 4.107 0.030 1 389 44 44 VAL HB H 2.031 0.030 1 390 44 44 VAL HG1 H 0.875 0.030 1 391 44 44 VAL HG2 H 0.834 0.030 1 392 44 44 VAL CA C 62.352 0.300 1 393 44 44 VAL CB C 32.777 0.300 1 394 44 44 VAL CG1 C 20.925 0.300 2 395 44 44 VAL CG2 C 20.111 0.300 2 396 44 44 VAL N N 117.689 0.300 1 397 45 45 ASN HA H 4.713 0.030 1 398 45 45 ASN HB2 H 2.843 0.030 2 399 45 45 ASN HB3 H 2.770 0.030 2 400 45 45 ASN HD21 H 7.599 0.030 2 401 45 45 ASN HD22 H 6.925 0.030 2 402 45 45 ASN CA C 53.201 0.300 1 403 45 45 ASN CB C 38.671 0.300 1 404 45 45 ASN ND2 N 113.273 0.300 1 405 46 46 VAL H H 7.994 0.030 1 406 46 46 VAL HA H 4.148 0.030 1 407 46 46 VAL HB H 2.145 0.030 1 408 46 46 VAL HG1 H 0.879 0.030 1 409 46 46 VAL C C 177.834 0.300 1 410 46 46 VAL CA C 62.726 0.300 1 411 46 46 VAL CB C 32.476 0.300 1 412 46 46 VAL CG1 C 20.491 0.300 2 413 46 46 VAL N N 118.432 0.300 1 414 47 47 GLY HA2 H 3.702 0.030 2 415 47 47 GLY HA3 H 4.104 0.030 2 416 47 47 GLY C C 173.950 0.300 1 417 47 47 GLY CA C 45.202 0.300 1 418 48 48 THR H H 8.238 0.030 1 419 48 48 THR HA H 4.066 0.030 1 420 48 48 THR HB H 4.237 0.030 1 421 48 48 THR HG2 H 1.328 0.030 1 422 48 48 THR C C 175.919 0.300 1 423 48 48 THR CA C 67.178 0.300 1 424 48 48 THR CB C 68.681 0.300 1 425 48 48 THR CG2 C 22.017 0.300 1 426 48 48 THR N N 118.267 0.300 1 427 49 49 THR HA H 3.981 0.030 1 428 49 49 THR HB H 4.275 0.030 1 429 49 49 THR HG2 H 1.136 0.030 1 430 49 49 THR CA C 62.689 0.300 1 431 49 49 THR CB C 69.410 0.300 1 432 49 49 THR CG2 C 22.329 0.300 1 433 50 50 ALA HA H 4.091 0.030 1 434 50 50 ALA HB H 1.332 0.030 1 435 50 50 ALA C C 180.456 0.300 1 436 50 50 ALA CA C 55.053 0.300 1 437 50 50 ALA CB C 18.859 0.300 1 438 51 51 LEU H H 7.042 0.030 1 439 51 51 LEU HA H 3.446 0.030 1 440 51 51 LEU HB2 H 1.175 0.030 2 441 51 51 LEU HB3 H 0.580 0.030 2 442 51 51 LEU HD1 H -0.642 0.030 1 443 51 51 LEU HD2 H -0.840 0.030 1 444 51 51 LEU HG H 0.752 0.030 1 445 51 51 LEU C C 179.170 0.300 1 446 51 51 LEU CA C 57.395 0.300 1 447 51 51 LEU CB C 39.050 0.300 1 448 51 51 LEU CD1 C 23.142 0.300 2 449 51 51 LEU CD2 C 19.891 0.300 2 450 51 51 LEU CG C 25.185 0.300 1 451 51 51 LEU N N 117.051 0.300 1 452 52 52 TRP H H 7.992 0.030 1 453 52 52 TRP HA H 4.412 0.030 1 454 52 52 TRP HB2 H 3.284 0.030 2 455 52 52 TRP HB3 H 3.204 0.030 2 456 52 52 TRP HD1 H 7.172 0.030 1 457 52 52 TRP HE1 H 10.333 0.030 1 458 52 52 TRP HE3 H 7.455 0.030 1 459 52 52 TRP HH2 H 7.025 0.030 1 460 52 52 TRP HZ2 H 7.427 0.030 1 461 52 52 TRP HZ3 H 6.956 0.030 1 462 52 52 TRP C C 178.636 0.300 1 463 52 52 TRP CA C 60.762 0.300 1 464 52 52 TRP CB C 29.830 0.300 1 465 52 52 TRP CD1 C 127.781 0.300 1 466 52 52 TRP CE3 C 119.964 0.300 1 467 52 52 TRP CH2 C 124.278 0.300 1 468 52 52 TRP CZ2 C 114.747 0.300 1 469 52 52 TRP CZ3 C 122.177 0.300 1 470 52 52 TRP N N 118.438 0.300 1 471 52 52 TRP NE1 N 128.590 0.300 1 472 53 53 LYS H H 8.239 0.030 1 473 53 53 LYS HA H 4.077 0.030 1 474 53 53 LYS HB2 H 1.950 0.030 1 475 53 53 LYS HB3 H 1.950 0.030 1 476 53 53 LYS HD2 H 1.705 0.030 1 477 53 53 LYS HD3 H 1.705 0.030 1 478 53 53 LYS HE2 H 2.973 0.030 1 479 53 53 LYS HE3 H 2.973 0.030 1 480 53 53 LYS HG2 H 1.626 0.030 2 481 53 53 LYS HG3 H 1.478 0.030 2 482 53 53 LYS C C 179.777 0.300 1 483 53 53 LYS CA C 59.864 0.300 1 484 53 53 LYS CB C 32.077 0.300 1 485 53 53 LYS CD C 29.339 0.300 1 486 53 53 LYS CE C 42.152 0.300 1 487 53 53 LYS CG C 25.418 0.300 1 488 53 53 LYS N N 118.342 0.300 1 489 54 54 HIS H H 7.592 0.030 1 490 54 54 HIS HA H 4.351 0.030 1 491 54 54 HIS HB2 H 3.365 0.030 2 492 54 54 HIS HB3 H 3.643 0.030 2 493 54 54 HIS HD2 H 7.173 0.030 1 494 54 54 HIS HE1 H 7.935 0.030 1 495 54 54 HIS C C 176.499 0.300 1 496 54 54 HIS CA C 60.409 0.300 1 497 54 54 HIS CB C 28.701 0.300 1 498 54 54 HIS CD2 C 126.748 0.300 1 499 54 54 HIS CE1 C 140.399 0.300 1 500 54 54 HIS N N 117.948 0.300 1 501 55 55 LEU H H 8.223 0.030 1 502 55 55 LEU HA H 3.829 0.030 1 503 55 55 LEU HB2 H 1.294 0.030 2 504 55 55 LEU HB3 H 2.001 0.030 2 505 55 55 LEU HD1 H 0.365 0.030 1 506 55 55 LEU HD2 H 0.512 0.030 1 507 55 55 LEU HG H 2.056 0.030 1 508 55 55 LEU C C 178.587 0.300 1 509 55 55 LEU CA C 58.492 0.300 1 510 55 55 LEU CB C 42.293 0.300 1 511 55 55 LEU CD1 C 25.611 0.300 2 512 55 55 LEU CD2 C 21.619 0.300 2 513 55 55 LEU CG C 26.643 0.300 1 514 55 55 LEU N N 118.224 0.300 1 515 56 56 LYS H H 8.795 0.030 1 516 56 56 LYS HA H 3.823 0.030 1 517 56 56 LYS HB2 H 1.830 0.030 1 518 56 56 LYS HB3 H 1.830 0.030 1 519 56 56 LYS HD2 H 1.644 0.030 1 520 56 56 LYS HD3 H 1.644 0.030 1 521 56 56 LYS HE2 H 2.861 0.030 1 522 56 56 LYS HE3 H 2.861 0.030 1 523 56 56 LYS HG2 H 1.406 0.030 2 524 56 56 LYS HG3 H 1.679 0.030 2 525 56 56 LYS C C 177.664 0.300 1 526 56 56 LYS CA C 58.999 0.300 1 527 56 56 LYS CB C 32.395 0.300 1 528 56 56 LYS CD C 29.248 0.300 1 529 56 56 LYS CE C 42.191 0.300 1 530 56 56 LYS CG C 26.390 0.300 1 531 56 56 LYS N N 115.460 0.300 1 532 57 57 SER H H 7.600 0.030 1 533 57 57 SER HA H 4.353 0.030 1 534 57 57 SER HB2 H 3.912 0.030 1 535 57 57 SER HB3 H 3.912 0.030 1 536 57 57 SER C C 176.451 0.300 1 537 57 57 SER CA C 60.480 0.300 1 538 57 57 SER CB C 63.879 0.300 1 539 57 57 SER N N 110.773 0.300 1 540 58 58 MET H H 7.685 0.030 1 541 58 58 MET HA H 4.555 0.030 1 542 58 58 MET HB2 H 2.272 0.030 2 543 58 58 MET HB3 H 2.246 0.030 2 544 58 58 MET HE H 2.041 0.030 1 545 58 58 MET HG2 H 1.209 0.030 2 546 58 58 MET HG3 H 0.846 0.030 2 547 58 58 MET C C 176.645 0.300 1 548 58 58 MET CA C 55.158 0.300 1 549 58 58 MET CB C 32.427 0.300 1 550 58 58 MET CE C 16.830 0.300 1 551 58 58 MET CG C 32.415 0.300 1 552 58 58 MET N N 115.874 0.300 1 553 59 59 HIS H H 7.685 0.030 1 554 59 59 HIS HA H 5.357 0.030 1 555 59 59 HIS HB2 H 2.934 0.030 2 556 59 59 HIS HB3 H 3.180 0.030 2 557 59 59 HIS HD2 H 6.362 0.030 1 558 59 59 HIS HE1 H 7.892 0.030 1 559 59 59 HIS C C 175.140 0.300 1 560 59 59 HIS CA C 53.114 0.300 1 561 59 59 HIS CB C 29.080 0.300 1 562 59 59 HIS CD2 C 127.466 0.300 1 563 59 59 HIS CE1 C 139.810 0.300 1 564 59 59 HIS N N 117.346 0.300 1 565 60 60 ARG H H 7.995 0.030 1 566 60 60 ARG HA H 3.771 0.030 1 567 60 60 ARG HB2 H 1.786 0.030 2 568 60 60 ARG HB3 H 2.083 0.030 2 569 60 60 ARG HD2 H 3.255 0.030 1 570 60 60 ARG HD3 H 3.255 0.030 1 571 60 60 ARG HG2 H 1.668 0.030 2 572 60 60 ARG HG3 H 1.603 0.030 2 573 60 60 ARG C C 178.684 0.300 1 574 60 60 ARG CA C 60.646 0.300 1 575 60 60 ARG CB C 29.959 0.300 1 576 60 60 ARG CD C 43.446 0.300 1 577 60 60 ARG CG C 27.297 0.300 1 578 60 60 ARG N N 120.640 0.300 1 579 61 61 GLU H H 8.929 0.030 1 580 61 61 GLU HA H 4.046 0.030 1 581 61 61 GLU HB2 H 2.067 0.030 2 582 61 61 GLU HB3 H 2.010 0.030 2 583 61 61 GLU HG2 H 2.317 0.030 1 584 61 61 GLU HG3 H 2.317 0.030 1 585 61 61 GLU C C 179.024 0.300 1 586 61 61 GLU CA C 59.775 0.300 1 587 61 61 GLU CB C 28.926 0.300 1 588 61 61 GLU CG C 36.832 0.300 1 589 61 61 GLU N N 117.239 0.300 1 590 62 62 GLU H H 8.182 0.030 1 591 62 62 GLU HA H 4.078 0.030 1 592 62 62 GLU HB2 H 2.066 0.030 2 593 62 62 GLU HB3 H 1.990 0.030 2 594 62 62 GLU HG2 H 2.255 0.030 2 595 62 62 GLU HG3 H 2.384 0.030 2 596 62 62 GLU C C 179.242 0.300 1 597 62 62 GLU CA C 59.317 0.300 1 598 62 62 GLU CB C 28.864 0.300 1 599 62 62 GLU CG C 36.478 0.300 1 600 62 62 GLU N N 120.004 0.300 1 601 63 63 LEU H H 7.849 0.030 1 602 63 63 LEU HA H 4.158 0.030 1 603 63 63 LEU HB2 H 1.566 0.030 2 604 63 63 LEU HB3 H 1.844 0.030 2 605 63 63 LEU HD1 H 0.751 0.030 1 606 63 63 LEU HD2 H 0.686 0.030 1 607 63 63 LEU HG H 1.688 0.030 1 608 63 63 LEU C C 179.679 0.300 1 609 63 63 LEU CA C 57.449 0.300 1 610 63 63 LEU CB C 41.552 0.300 1 611 63 63 LEU CD1 C 25.169 0.300 2 612 63 63 LEU CD2 C 23.144 0.300 2 613 63 63 LEU CG C 27.338 0.300 1 614 63 63 LEU N N 119.191 0.300 1 615 64 64 GLU H H 8.097 0.030 1 616 64 64 GLU HA H 4.113 0.030 1 617 64 64 GLU HB2 H 2.110 0.030 1 618 64 64 GLU HB3 H 2.110 0.030 1 619 64 64 GLU HG2 H 2.436 0.030 2 620 64 64 GLU HG3 H 2.279 0.030 2 621 64 64 GLU C C 178.951 0.300 1 622 64 64 GLU CA C 58.480 0.300 1 623 64 64 GLU CB C 29.548 0.300 1 624 64 64 GLU CG C 36.517 0.300 1 625 64 64 GLU N N 118.834 0.300 1 626 65 65 LYS H H 7.854 0.030 1 627 65 65 LYS HA H 4.197 0.030 1 628 65 65 LYS HB2 H 1.940 0.030 1 629 65 65 LYS HB3 H 1.940 0.030 1 630 65 65 LYS HD2 H 1.700 0.030 2 631 65 65 LYS HE2 H 2.974 0.030 1 632 65 65 LYS HE3 H 2.974 0.030 1 633 65 65 LYS HG2 H 1.601 0.030 2 634 65 65 LYS HG3 H 1.508 0.030 2 635 65 65 LYS C C 177.713 0.300 1 636 65 65 LYS CA C 58.154 0.300 1 637 65 65 LYS CB C 32.614 0.300 1 638 65 65 LYS CD C 29.435 0.300 1 639 65 65 LYS CE C 42.128 0.300 1 640 65 65 LYS CG C 25.050 0.300 1 641 65 65 LYS N N 119.350 0.300 1 642 66 66 SER H H 7.816 0.030 1 643 66 66 SER HA H 4.457 0.030 1 644 66 66 SER HB2 H 3.926 0.030 1 645 66 66 SER HB3 H 3.926 0.030 1 646 66 66 SER C C 174.751 0.300 1 647 66 66 SER CA C 58.864 0.300 1 648 66 66 SER CB C 64.180 0.300 1 649 66 66 SER N N 113.693 0.300 1 650 67 67 GLY H H 7.959 0.030 1 651 67 67 GLY HA2 H 4.036 0.030 2 652 67 67 GLY HA3 H 3.924 0.030 2 653 67 67 GLY C C 174.775 0.300 1 654 67 67 GLY CA C 45.678 0.300 1 655 67 67 GLY N N 108.980 0.300 1 656 68 68 HIS H H 8.148 0.030 1 657 68 68 HIS HA H 4.861 0.030 1 658 68 68 HIS HB2 H 3.054 0.030 2 659 68 68 HIS HB3 H 3.346 0.030 2 660 68 68 HIS HD2 H 7.084 0.030 1 661 68 68 HIS HE1 H 7.914 0.030 1 662 68 68 HIS C C 176.159 0.300 1 663 68 68 HIS CA C 56.004 0.300 1 664 68 68 HIS CB C 31.585 0.300 1 665 68 68 HIS CD2 C 118.949 0.300 1 666 68 68 HIS CE1 C 138.173 0.300 1 667 68 68 HIS N N 119.127 0.300 1 668 69 69 GLY H H 8.610 0.030 1 669 69 69 GLY HA2 H 3.903 0.030 1 670 69 69 GLY HA3 H 3.903 0.030 1 671 69 69 GLY C C 174.290 0.300 1 672 69 69 GLY CA C 45.890 0.300 1 673 69 69 GLY N N 109.663 0.300 1 674 70 70 GLN H H 8.325 0.030 1 675 70 70 GLN HA H 4.396 0.030 1 676 70 70 GLN HB2 H 1.915 0.030 2 677 70 70 GLN HB3 H 2.167 0.030 2 678 70 70 GLN HE21 H 7.514 0.030 2 679 70 70 GLN HE22 H 6.838 0.030 2 680 70 70 GLN HG2 H 2.304 0.030 1 681 70 70 GLN HG3 H 2.304 0.030 1 682 70 70 GLN C C 176.208 0.300 1 683 70 70 GLN CA C 55.616 0.300 1 684 70 70 GLN CB C 29.441 0.300 1 685 70 70 GLN CG C 33.819 0.300 1 686 70 70 GLN N N 119.031 0.300 1 687 70 70 GLN NE2 N 112.604 0.300 1 688 71 71 SER HA H 4.466 0.030 1 689 71 71 SER HB2 H 3.818 0.030 1 690 71 71 SER HB3 H 3.818 0.030 1 691 71 71 SER C C 174.096 0.300 1 692 71 71 SER CA C 58.506 0.300 1 693 71 71 SER CB C 64.126 0.300 1 694 72 72 GLY H H 8.136 0.030 1 695 72 72 GLY HA2 H 3.776 0.030 2 696 72 72 GLY HA3 H 3.703 0.030 2 697 72 72 GLY C C 171.644 0.300 1 698 72 72 GLY CA C 44.304 0.300 1 699 72 72 GLY N N 110.082 0.300 1 700 73 73 PRO HA H 4.408 0.030 1 701 73 73 PRO HB2 H 2.241 0.030 2 702 73 73 PRO HB3 H 1.937 0.030 2 703 73 73 PRO HD2 H 3.448 0.030 2 704 73 73 PRO HD3 H 3.391 0.030 2 705 73 73 PRO HG2 H 1.957 0.030 1 706 73 73 PRO HG3 H 1.957 0.030 1 707 73 73 PRO C C 175.067 0.300 1 708 73 73 PRO CA C 63.151 0.300 1 709 73 73 PRO CB C 32.225 0.300 1 710 73 73 PRO CD C 49.627 0.300 1 711 73 73 PRO CG C 27.250 0.300 1 712 74 74 SER HB2 H 3.794 0.030 2 713 74 74 SER CA C 58.647 0.300 1 714 74 74 SER CB C 63.915 0.300 1 stop_ save_