data_18806 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of Miz-1 zinc fingers 5 to 7 ; _BMRB_accession_number 18806 _BMRB_flat_file_name bmr18806.str _Entry_type original _Submission_date 2012-10-24 _Accession_date 2012-10-24 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Zinc finger domains 5 to 8 of human Miz-1' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bernard David . . 2 Bedard Mikael . . 3 Bilodeau Josee . . 4 Lavigne Pierre . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 579 "13C chemical shifts" 429 "15N chemical shifts" 98 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-05 update BMRB 'update entry citation' 2012-12-07 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural and dynamical characterization of the Miz-1 zinc fingers 5-8 by solution-state NMR.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23975355 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bernard David . . 2 Bedard Mikael . . 3 Bilodeau Josee . . 4 Lavigne Pierre . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of biomolecular NMR' _Journal_volume 57 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 103 _Page_last 116 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Miz58 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Miz58 $Miz58 'Zinc ions' $entity_ZN stop_ _System_molecular_weight 12953.9494 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Miz58 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Miz58 _Molecular_mass 12953.9494 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 112 _Mol_residue_sequence ; MKPYQCDYCGRSFSDPTSKM RHLETHDTDKEHKCPHCDKK FNQVGNLKAHLKIHIADGPL KCRECGKQFTTSGNLKRHLR IHSGEKPYVCIHCQRQFADP GALQRHVRIHTG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 LYS 3 3 PRO 4 4 TYR 5 5 GLN 6 6 CYS 7 7 ASP 8 8 TYR 9 9 CYS 10 10 GLY 11 11 ARG 12 12 SER 13 13 PHE 14 14 SER 15 15 ASP 16 16 PRO 17 17 THR 18 18 SER 19 19 LYS 20 20 MET 21 21 ARG 22 22 HIS 23 23 LEU 24 24 GLU 25 25 THR 26 26 HIS 27 27 ASP 28 28 THR 29 29 ASP 30 30 LYS 31 31 GLU 32 32 HIS 33 33 LYS 34 34 CYS 35 35 PRO 36 36 HIS 37 37 CYS 38 38 ASP 39 39 LYS 40 40 LYS 41 41 PHE 42 42 ASN 43 43 GLN 44 44 VAL 45 45 GLY 46 46 ASN 47 47 LEU 48 48 LYS 49 49 ALA 50 50 HIS 51 51 LEU 52 52 LYS 53 53 ILE 54 54 HIS 55 55 ILE 56 56 ALA 57 57 ASP 58 58 GLY 59 59 PRO 60 60 LEU 61 61 LYS 62 62 CYS 63 63 ARG 64 64 GLU 65 65 CYS 66 66 GLY 67 67 LYS 68 68 GLN 69 69 PHE 70 70 THR 71 71 THR 72 72 SER 73 73 GLY 74 74 ASN 75 75 LEU 76 76 LYS 77 77 ARG 78 78 HIS 79 79 LEU 80 80 ARG 81 81 ILE 82 82 HIS 83 83 SER 84 84 GLY 85 85 GLU 86 86 LYS 87 87 PRO 88 88 TYR 89 89 VAL 90 90 CYS 91 91 ILE 92 92 HIS 93 93 CYS 94 94 GLN 95 95 ARG 96 96 GLN 97 97 PHE 98 98 ALA 99 99 ASP 100 100 PRO 101 101 GLY 102 102 ALA 103 103 LEU 104 104 GLN 105 105 ARG 106 106 HIS 107 107 VAL 108 108 ARG 109 109 ILE 110 110 HIS 111 111 THR 112 112 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UniProt Q13105 Q13105 . . . . . stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'ZINC ION' _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic no _Mol_aromatic no _Details . 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 'not present' _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 _Gene_mnemonic $Miz58 Human 9606 Eukaryota Metazoa Homo sapiens ZBTB17 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Miz58 'recombinant technology' 'Escherichia coli' Escherichia coli 'BL21 star (DE3)' pET-3a 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 $Miz58 0.65 mM '[U-13C; U-15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version 2.2 loop_ _Vendor _Address _Electronic_address 'Nilges, Rieping, Habeck, Bardiaux, Bernard and Malliavin' . . stop_ loop_ _Task 'structure calculations, refinement' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.21 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure calculations, refinement' stop_ _Details . save_ save_CcpNmr_Analysis _Saveframe_category software _Name ANALYSIS _Version 2.1 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'chemical shift assignment, data analysis' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ save_DANGLE _Saveframe_category software _Name DANGLE _Version 1.1 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 7.4 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC/HMQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC/HMQC' _Sample_label $sample_1 save_ save_Expt_5_(H[N[co[{CA|ca[C]}]]])_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'Expt_5 (H[N[co[{CA|ca[C]}]]])' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC/HMQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC/HMQC' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . 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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_assigned_chem_shift_list _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCACB' '2D 1H-15N HSQC/HMQC' 'Expt_5 (H[N[co[{CA|ca[C]}]]])' '3D HNCO' '3D C(CO)NH' '2D 1H-13C HSQC/HMQC' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Miz58 _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 1 1 MET HE H 1.616 0.013 1 2 1 1 MET CE C 19.935 0.024 1 3 3 3 PRO HA H 4.147 0.006 1 4 3 3 PRO HB2 H 1.312 0.009 2 5 3 3 PRO HB3 H 1.923 0.01 2 6 3 3 PRO HG2 H 1.693 0.01 1 7 3 3 PRO HG3 H 1.693 0.01 1 8 3 3 PRO HD2 H 3.477 0.012 2 9 3 3 PRO HD3 H 3.614 0.01 2 10 3 3 PRO C C 176.083 . 1 11 3 3 PRO CA C 63.415 0.077 1 12 3 3 PRO CB C 31.877 0.043 1 13 3 3 PRO CG C 27.125 . 1 14 3 3 PRO CD C 50.236 . 1 15 4 4 TYR H H 7.959 0.008 1 16 4 4 TYR HA H 4.460 0.013 1 17 4 4 TYR HB2 H 2.651 0.013 2 18 4 4 TYR HB3 H 2.825 0.012 2 19 4 4 TYR HD1 H 6.888 0.01 3 20 4 4 TYR HD2 H 6.888 0.01 3 21 4 4 TYR HE1 H 6.702 0.001 3 22 4 4 TYR HE2 H 6.702 0.001 3 23 4 4 TYR C C 174.569 . 1 24 4 4 TYR CA C 56.770 0.044 1 25 4 4 TYR CB C 38.430 0.058 1 26 4 4 TYR CD1 C 135.925 0.069 3 27 4 4 TYR CD2 C 135.925 0.069 3 28 4 4 TYR N N 117.838 0.034 1 29 5 5 GLN H H 8.544 0.008 1 30 5 5 GLN HA H 4.877 0.013 1 31 5 5 GLN HB2 H 1.708 0.008 1 32 5 5 GLN HB3 H 1.708 0.008 1 33 5 5 GLN HG2 H 2.020 0.015 1 34 5 5 GLN HG3 H 2.020 0.015 1 35 5 5 GLN C C 175.122 . 1 36 5 5 GLN CA C 54.558 0.078 1 37 5 5 GLN CB C 31.592 0.062 1 38 5 5 GLN CG C 33.813 0.038 1 39 5 5 GLN N N 123.036 0.04 1 40 6 6 CYS H H 9.125 0.011 1 41 6 6 CYS HA H 4.277 0.014 1 42 6 6 CYS HB2 H 3.368 0.012 2 43 6 6 CYS HB3 H 2.863 0.013 2 44 6 6 CYS C C 176.578 . 1 45 6 6 CYS CA C 60.245 0.074 1 46 6 6 CYS CB C 30.278 0.048 1 47 6 6 CYS N N 125.821 0.031 1 48 7 7 ASP H H 8.738 0.014 1 49 7 7 ASP HA H 4.216 0.012 1 50 7 7 ASP HB2 H 1.901 0.012 2 51 7 7 ASP HB3 H 2.309 0.013 2 52 7 7 ASP C C 175.676 . 1 53 7 7 ASP CA C 56.350 0.063 1 54 7 7 ASP CB C 40.743 0.079 1 55 7 7 ASP N N 129.841 0.02 1 56 8 8 TYR H H 8.935 0.011 1 57 8 8 TYR HA H 4.240 0.007 1 58 8 8 TYR HB2 H 1.752 0.01 2 59 8 8 TYR HB3 H 2.384 0.014 2 60 8 8 TYR HD1 H 6.692 0.013 3 61 8 8 TYR HD2 H 6.692 0.013 3 62 8 8 TYR HE1 H 6.649 0.004 3 63 8 8 TYR HE2 H 6.649 0.004 3 64 8 8 TYR C C 176.440 . 1 65 8 8 TYR CA C 59.546 0.038 1 66 8 8 TYR CB C 38.060 0.079 1 67 8 8 TYR CD1 C 135.572 0.061 3 68 8 8 TYR CD2 C 135.572 0.061 3 69 8 8 TYR CE1 C 121.095 0.057 3 70 8 8 TYR CE2 C 121.095 0.057 3 71 8 8 TYR N N 119.023 0.036 1 72 9 9 CYS H H 8.105 0.009 1 73 9 9 CYS HA H 5.038 0.011 1 74 9 9 CYS HB2 H 2.886 0.014 2 75 9 9 CYS HB3 H 3.342 0.011 2 76 9 9 CYS C C 175.815 . 1 77 9 9 CYS CA C 58.310 0.043 1 78 9 9 CYS CB C 32.273 0.036 1 79 9 9 CYS N N 115.815 0.047 1 80 10 10 GLY H H 7.985 0.013 1 81 10 10 GLY HA2 H 4.050 0.01 2 82 10 10 GLY HA3 H 3.753 0.011 2 83 10 10 GLY C C 173.932 . 1 84 10 10 GLY CA C 46.039 0.043 1 85 10 10 GLY N N 111.402 0.04 1 86 11 11 ARG H H 7.928 0.008 1 87 11 11 ARG HA H 3.928 0.014 1 88 11 11 ARG HB2 H 1.197 0.015 2 89 11 11 ARG HB3 H 1.346 0.013 2 90 11 11 ARG HG2 H 1.668 0.015 2 91 11 11 ARG HG3 H 1.704 0.011 2 92 11 11 ARG HD2 H 2.752 0.014 2 93 11 11 ARG HD3 H 2.949 0.011 2 94 11 11 ARG C C 174.220 . 1 95 11 11 ARG CA C 57.602 0.011 1 96 11 11 ARG CB C 31.248 0.044 1 97 11 11 ARG CG C 27.904 0.008 1 98 11 11 ARG CD C 43.278 0.019 1 99 11 11 ARG N N 122.427 0.035 1 100 12 12 SER H H 7.890 0.011 1 101 12 12 SER HA H 4.896 0.009 1 102 12 12 SER HB2 H 3.486 0.009 1 103 12 12 SER HB3 H 3.486 0.009 1 104 12 12 SER C C 172.775 . 1 105 12 12 SER CA C 57.311 0.033 1 106 12 12 SER CB C 65.516 0.068 1 107 12 12 SER N N 115.605 0.048 1 108 13 13 PHE H H 8.392 0.01 1 109 13 13 PHE HA H 4.591 0.009 1 110 13 13 PHE HB2 H 2.574 0.014 2 111 13 13 PHE HB3 H 3.293 0.012 2 112 13 13 PHE HD1 H 7.020 0.012 3 113 13 13 PHE HD2 H 7.020 0.012 3 114 13 13 PHE HZ H 5.872 0.004 1 115 13 13 PHE C C 175.330 . 1 116 13 13 PHE CA C 57.369 0.03 1 117 13 13 PHE CB C 43.443 0.065 1 118 13 13 PHE CD1 C 134.878 0.06 3 119 13 13 PHE CD2 C 134.878 0.06 3 120 13 13 PHE CZ C 131.642 0.0 1 121 13 13 PHE N N 118.534 0.06 1 122 14 14 SER H H 9.090 0.003 1 123 14 14 SER HA H 4.491 0.006 1 124 14 14 SER HB2 H 3.940 0.013 1 125 14 14 SER HB3 H 3.940 0.013 1 126 14 14 SER C C 173.113 . 1 127 14 14 SER CA C 59.545 0.061 1 128 14 14 SER CB C 64.037 0.072 1 129 14 14 SER N N 114.545 0.046 1 130 15 15 ASP H H 7.443 0.007 1 131 15 15 ASP HA H 4.704 0.009 1 132 15 15 ASP HB2 H 2.561 0.015 2 133 15 15 ASP HB3 H 2.724 0.012 2 134 15 15 ASP CA C 51.697 0.049 1 135 15 15 ASP CB C 42.344 0.075 1 136 15 15 ASP N N 117.860 0.028 1 137 16 16 PRO HA H 3.556 0.011 1 138 16 16 PRO HB2 H 1.864 0.009 1 139 16 16 PRO HB3 H 1.864 0.009 1 140 16 16 PRO HD2 H 3.032 0.014 2 141 16 16 PRO HD3 H 3.595 0.015 2 142 16 16 PRO C C 178.801 . 1 143 16 16 PRO CA C 64.377 0.038 1 144 16 16 PRO CB C 31.568 0.07 1 145 16 16 PRO CG C 26.727 . 1 146 16 16 PRO CD C 49.900 0.0 1 147 17 17 THR H H 7.858 0.007 1 148 17 17 THR HA H 3.759 0.015 1 149 17 17 THR HB H 4.031 0.009 1 150 17 17 THR HG2 H 1.038 0.013 1 151 17 17 THR C C 176.424 . 1 152 17 17 THR CA C 66.554 0.065 1 153 17 17 THR CB C 67.664 0.057 1 154 17 17 THR CG2 C 21.805 0.071 1 155 17 17 THR N N 117.621 0.047 1 156 18 18 SER H H 8.654 0.006 1 157 18 18 SER HA H 3.871 0.008 1 158 18 18 SER HB2 H 3.799 0.013 1 159 18 18 SER HB3 H 3.799 0.013 1 160 18 18 SER C C 177.038 . 1 161 18 18 SER CA C 61.906 0.051 1 162 18 18 SER CB C 61.877 0.016 1 163 18 18 SER N N 119.883 0.026 1 164 19 19 LYS H H 6.760 0.009 1 165 19 19 LYS HA H 2.613 0.007 1 166 19 19 LYS HB2 H 1.396 0.014 2 167 19 19 LYS HB3 H 1.593 0.014 2 168 19 19 LYS HG2 H 0.997 0.008 1 169 19 19 LYS HG3 H 0.997 0.008 1 170 19 19 LYS HE2 H 2.793 0.012 1 171 19 19 LYS HE3 H 2.793 0.012 1 172 19 19 LYS C C 176.639 . 1 173 19 19 LYS CA C 59.487 0.059 1 174 19 19 LYS CB C 31.586 0.011 1 175 19 19 LYS CG C 25.300 0.002 1 176 19 19 LYS CD C 28.802 . 1 177 19 19 LYS CE C 43.094 . 1 178 19 19 LYS N N 121.563 0.025 1 179 20 20 MET H H 7.831 0.01 1 180 20 20 MET HA H 3.927 0.012 1 181 20 20 MET HB2 H 2.527 0.014 2 182 20 20 MET HB3 H 2.496 0.014 2 183 20 20 MET HG2 H 2.049 0.013 1 184 20 20 MET HG3 H 2.049 0.013 1 185 20 20 MET HE H 1.933 0.014 1 186 20 20 MET C C 178.910 . 1 187 20 20 MET CA C 58.719 0.028 1 188 20 20 MET CB C 31.756 0.074 1 189 20 20 MET CG C 31.692 0.036 1 190 20 20 MET CE C 16.780 0.058 1 191 20 20 MET N N 118.908 0.012 1 192 21 21 ARG H H 8.066 0.01 1 193 21 21 ARG HA H 3.905 0.008 1 194 21 21 ARG HB2 H 1.648 0.015 1 195 21 21 ARG HB3 H 1.648 0.015 1 196 21 21 ARG HG2 H 1.513 0.01 1 197 21 21 ARG HG3 H 1.513 0.01 1 198 21 21 ARG HD2 H 2.995 0.015 1 199 21 21 ARG HD3 H 2.995 0.015 1 200 21 21 ARG C C 179.107 . 1 201 21 21 ARG CA C 58.807 0.029 1 202 21 21 ARG CB C 30.101 0.061 1 203 21 21 ARG CG C 27.802 0.004 1 204 21 21 ARG CD C 43.078 . 1 205 21 21 ARG N N 118.164 0.029 1 206 22 22 HIS H H 7.374 0.008 1 207 22 22 HIS HA H 4.167 0.01 1 208 22 22 HIS HB2 H 2.715 0.011 2 209 22 22 HIS HB3 H 2.858 0.011 2 210 22 22 HIS HD2 H 6.966 0.004 1 211 22 22 HIS C C 178.014 . 1 212 22 22 HIS CA C 58.912 0.066 1 213 22 22 HIS CB C 27.921 0.078 1 214 22 22 HIS CD2 C 130.823 0.0 1 215 22 22 HIS N N 117.794 0.023 1 216 23 23 LEU H H 8.385 0.01 1 217 23 23 LEU HA H 3.784 0.013 1 218 23 23 LEU HB2 H 1.598 0.014 2 219 23 23 LEU HB3 H 1.912 0.012 2 220 23 23 LEU HD1 H 1.146 0.014 2 221 23 23 LEU HD2 H 1.002 0.013 2 222 23 23 LEU C C 179.021 . 1 223 23 23 LEU CA C 58.592 0.067 1 224 23 23 LEU CB C 41.658 0.064 1 225 23 23 LEU CD1 C 24.716 0.047 2 226 23 23 LEU CD2 C 25.930 0.044 2 227 23 23 LEU N N 122.319 0.052 1 228 24 24 GLU H H 7.122 0.012 1 229 24 24 GLU HA H 3.992 0.012 1 230 24 24 GLU HB2 H 1.983 0.011 1 231 24 24 GLU HB3 H 1.983 0.011 1 232 24 24 GLU HG2 H 2.200 0.014 2 233 24 24 GLU HG3 H 2.400 0.011 2 234 24 24 GLU C C 178.251 . 1 235 24 24 GLU CA C 58.329 0.058 1 236 24 24 GLU CB C 29.417 0.073 1 237 24 24 GLU CG C 36.091 0.055 1 238 24 24 GLU N N 116.297 0.04 1 239 25 25 THR H H 7.557 0.01 1 240 25 25 THR HA H 4.010 0.013 1 241 25 25 THR HB H 3.921 0.014 1 242 25 25 THR HG2 H 1.091 0.015 1 243 25 25 THR C C 175.170 . 1 244 25 25 THR CA C 63.499 0.059 1 245 25 25 THR CB C 69.177 0.074 1 246 25 25 THR CG2 C 21.666 0.065 1 247 25 25 THR N N 108.890 0.04 1 248 26 26 HIS H H 7.072 0.013 1 249 26 26 HIS HA H 4.467 . 1 250 26 26 HIS HB2 H 2.480 0.006 2 251 26 26 HIS HB3 H 2.656 0.012 2 252 26 26 HIS HD2 H 6.443 0.006 1 253 26 26 HIS HE1 H 7.922 0.006 1 254 26 26 HIS CA C 55.261 . 1 255 26 26 HIS CB C 28.642 0.039 1 256 26 26 HIS CD2 C 130.448 0.078 1 257 26 26 HIS CE1 C 142.848 0.001 1 258 26 26 HIS N N 118.044 0.05 1 259 33 33 LYS HB2 H 1.624 . 1 260 33 33 LYS HB3 H 1.624 . 1 261 33 33 LYS HG2 H 1.118 . 1 262 33 33 LYS HG3 H 1.118 . 1 263 33 33 LYS HD2 H 1.379 . 1 264 33 33 LYS HD3 H 1.379 . 1 265 33 33 LYS HE2 H 2.805 . 1 266 33 33 LYS HE3 H 2.805 . 1 267 33 33 LYS C C 175.338 . 1 268 33 33 LYS CA C 55.275 . 1 269 33 33 LYS CB C 34.112 . 1 270 33 33 LYS CG C 24.468 . 1 271 33 33 LYS CD C 28.650 . 1 272 33 33 LYS CE C 41.702 . 1 273 34 34 CYS H H 8.821 0.011 1 274 34 34 CYS HB2 H 2.705 . 2 275 34 34 CYS HB3 H 3.313 . 2 276 34 34 CYS CA C 57.333 . 1 277 34 34 CYS CB C 30.249 . 1 278 34 34 CYS N N 128.949 0.043 1 279 35 35 PRO HA H 4.338 . 1 280 35 35 PRO HB2 H 2.415 . 1 281 35 35 PRO HB3 H 2.415 . 1 282 35 35 PRO HG2 H 2.017 0.009 1 283 35 35 PRO HG3 H 2.017 0.009 1 284 35 35 PRO C C 176.839 . 1 285 35 35 PRO CA C 63.542 0.035 1 286 35 35 PRO CB C 31.808 0.02 1 287 35 35 PRO CG C 26.094 . 1 288 35 35 PRO CD C 50.726 . 1 289 36 36 HIS H H 9.104 0.007 1 290 36 36 HIS CA C 55.905 . 1 291 36 36 HIS CB C 29.729 . 1 292 36 36 HIS N N 118.804 0.039 1 293 37 37 CYS C C 173.009 . 1 294 38 38 ASP H H 7.983 0.005 1 295 38 38 ASP C C 175.924 . 1 296 38 38 ASP CA C 55.540 0.025 1 297 38 38 ASP CB C 40.725 0.06 1 298 38 38 ASP N N 115.754 0.018 1 299 39 39 LYS H H 8.148 0.01 1 300 39 39 LYS HA H 3.822 0.014 1 301 39 39 LYS HB2 H 1.280 0.006 1 302 39 39 LYS HB3 H 1.280 0.006 1 303 39 39 LYS HG2 H 1.029 0.006 1 304 39 39 LYS HG3 H 1.029 0.006 1 305 39 39 LYS HD2 H 1.310 0.014 1 306 39 39 LYS HD3 H 1.310 0.014 1 307 39 39 LYS HE2 H 2.812 0.011 2 308 39 39 LYS HE3 H 3.085 0.0 2 309 39 39 LYS C C 174.515 . 1 310 39 39 LYS CA C 57.889 0.053 1 311 39 39 LYS CB C 33.464 0.051 1 312 39 39 LYS CG C 26.009 0.02 1 313 39 39 LYS CD C 28.700 0.0 1 314 39 39 LYS CE C 42.555 . 1 315 39 39 LYS N N 122.198 0.057 1 316 40 40 LYS H H 7.597 0.006 1 317 40 40 LYS C C 175.043 . 1 318 40 40 LYS CA C 54.586 0.073 1 319 40 40 LYS CB C 35.293 0.046 1 320 40 40 LYS CG C 24.785 . 1 321 40 40 LYS CD C 29.274 . 1 322 40 40 LYS N N 118.804 0.053 1 323 41 41 PHE H H 8.395 0.011 1 324 41 41 PHE HD1 H 7.095 0.006 3 325 41 41 PHE HD2 H 7.095 0.006 3 326 41 41 PHE HE1 H 6.713 0.005 3 327 41 41 PHE HE2 H 6.713 0.005 3 328 41 41 PHE HZ H 6.140 0.006 1 329 41 41 PHE CA C 57.208 . 1 330 41 41 PHE CB C 43.475 . 1 331 41 41 PHE CD1 C 135.112 . 3 332 41 41 PHE CD2 C 135.112 . 3 333 41 41 PHE CE1 C 133.781 0.005 3 334 41 41 PHE CE2 C 133.781 0.005 3 335 41 41 PHE CZ C 131.989 0.056 1 336 41 41 PHE N N 117.050 0.044 1 337 42 42 ASN HA H 4.190 0.002 1 338 42 42 ASN HB2 H 2.120 0.01 1 339 42 42 ASN HB3 H 2.120 0.01 1 340 42 42 ASN C C 174.947 . 1 341 42 42 ASN CA C 55.807 0.01 1 342 42 42 ASN CB C 42.016 . 1 343 43 43 GLN H H 7.740 0.013 1 344 43 43 GLN HG2 H 2.304 . 1 345 43 43 GLN HG3 H 2.304 . 1 346 43 43 GLN CA C 58.492 . 1 347 43 43 GLN CB C 30.330 . 1 348 43 43 GLN N N 118.321 0.06 1 349 44 44 VAL H H 8.859 . 1 350 44 44 VAL HG1 H 0.600 0.012 1 351 44 44 VAL HG2 H 0.600 0.012 1 352 44 44 VAL C C 177.340 . 1 353 44 44 VAL CA C 65.759 . 1 354 44 44 VAL CB C 31.018 . 1 355 44 44 VAL N N 125.715 . 1 356 45 45 GLY H H 8.870 0.01 1 357 45 45 GLY HA2 H 3.563 0.006 2 358 45 45 GLY HA3 H 3.765 0.014 2 359 45 45 GLY C C 176.706 . 1 360 45 45 GLY CA C 46.901 0.019 1 361 45 45 GLY N N 108.836 0.06 1 362 46 46 ASN H H 6.995 0.006 1 363 46 46 ASN HA H 4.441 0.015 1 364 46 46 ASN HB2 H 2.816 0.013 1 365 46 46 ASN HB3 H 2.816 0.013 1 366 46 46 ASN C C 177.372 . 1 367 46 46 ASN CA C 54.836 0.064 1 368 46 46 ASN CB C 37.777 0.041 1 369 46 46 ASN N N 118.342 0.044 1 370 47 47 LEU H H 6.876 0.012 1 371 47 47 LEU HA H 2.937 0.011 1 372 47 47 LEU HB2 H 1.866 0.015 2 373 47 47 LEU HB3 H 1.071 0.013 2 374 47 47 LEU HG H 1.315 0.014 1 375 47 47 LEU HD1 H 0.822 0.013 1 376 47 47 LEU HD2 H 0.822 0.013 1 377 47 47 LEU C C 177.264 . 1 378 47 47 LEU CA C 57.847 0.039 1 379 47 47 LEU CB C 39.999 0.032 1 380 47 47 LEU CG C 26.208 . 1 381 47 47 LEU CD1 C 23.478 . 1 382 47 47 LEU CD2 C 23.478 . 1 383 47 47 LEU N N 123.407 0.057 1 384 48 48 LYS H H 8.180 0.009 1 385 48 48 LYS HA H 3.665 0.011 1 386 48 48 LYS HB2 H 1.680 0.009 1 387 48 48 LYS HB3 H 1.680 0.009 1 388 48 48 LYS HG2 H 1.226 0.003 1 389 48 48 LYS HG3 H 1.226 0.003 1 390 48 48 LYS HD2 H 1.458 0.01 1 391 48 48 LYS HD3 H 1.458 0.01 1 392 48 48 LYS HE2 H 2.733 0.004 1 393 48 48 LYS HE3 H 2.733 0.004 1 394 48 48 LYS C C 178.767 . 1 395 48 48 LYS CA C 59.956 0.018 1 396 48 48 LYS CB C 31.843 0.059 1 397 48 48 LYS CG C 25.703 0.008 1 398 48 48 LYS CD C 29.097 0.009 1 399 48 48 LYS CE C 42.424 0.042 1 400 48 48 LYS N N 117.891 0.044 1 401 49 49 ALA H H 7.193 0.011 1 402 49 49 ALA HA H 3.946 0.011 1 403 49 49 ALA HB H 1.304 0.013 1 404 49 49 ALA C C 179.732 . 1 405 49 49 ALA CA C 54.564 0.067 1 406 49 49 ALA CB C 18.174 0.051 1 407 49 49 ALA N N 119.002 0.03 1 408 50 50 HIS H H 7.324 0.009 1 409 50 50 HIS HA H 4.083 0.015 1 410 50 50 HIS HB2 H 3.055 0.014 2 411 50 50 HIS HB3 H 2.825 0.012 2 412 50 50 HIS HD2 H 7.070 0.007 1 413 50 50 HIS HE1 H 7.865 0.015 1 414 50 50 HIS C C 176.003 . 1 415 50 50 HIS CA C 58.898 0.017 1 416 50 50 HIS CB C 28.544 0.069 1 417 50 50 HIS CD2 C 130.560 0.037 1 418 50 50 HIS N N 118.664 0.045 1 419 51 51 LEU H H 8.085 0.007 1 420 51 51 LEU HA H 3.676 0.015 1 421 51 51 LEU HB2 H 1.803 0.014 2 422 51 51 LEU HB3 H 1.486 0.011 2 423 51 51 LEU HG H 1.137 0.004 1 424 51 51 LEU HD1 H 0.886 0.012 1 425 51 51 LEU HD2 H 0.886 0.012 1 426 51 51 LEU C C 178.470 . 1 427 51 51 LEU CA C 58.047 0.012 1 428 51 51 LEU CB C 41.905 0.044 1 429 51 51 LEU CG C 24.504 0.013 1 430 51 51 LEU CD1 C 25.642 0.076 1 431 51 51 LEU CD2 C 25.642 0.076 1 432 51 51 LEU N N 116.715 0.006 1 433 52 52 LYS H H 6.883 0.012 1 434 52 52 LYS HA H 3.832 0.011 1 435 52 52 LYS HB2 H 1.689 0.009 1 436 52 52 LYS HB3 H 1.689 0.009 1 437 52 52 LYS HG2 H 1.328 0.014 1 438 52 52 LYS HG3 H 1.328 0.014 1 439 52 52 LYS HD2 H 1.553 0.013 1 440 52 52 LYS HD3 H 1.553 0.013 1 441 52 52 LYS HE2 H 2.849 0.002 1 442 52 52 LYS HE3 H 2.849 0.002 1 443 52 52 LYS C C 178.357 . 1 444 52 52 LYS CA C 58.417 0.034 1 445 52 52 LYS CB C 32.112 0.025 1 446 52 52 LYS CG C 24.602 0.005 1 447 52 52 LYS CD C 28.897 0.007 1 448 52 52 LYS CE C 40.271 . 1 449 52 52 LYS N N 115.588 0.055 1 450 53 53 ILE H H 7.655 0.011 1 451 53 53 ILE HA H 3.831 0.009 1 452 53 53 ILE HB H 1.568 0.013 1 453 53 53 ILE HG12 H 0.791 0.011 1 454 53 53 ILE HG13 H 0.791 0.011 1 455 53 53 ILE HG2 H 0.484 0.014 1 456 53 53 ILE C C 177.054 . 1 457 53 53 ILE CA C 62.683 0.06 1 458 53 53 ILE CB C 37.501 0.044 1 459 53 53 ILE CG1 C 25.093 0.017 1 460 53 53 ILE CG2 C 16.399 . 1 461 53 53 ILE CD1 C 14.169 . 1 462 53 53 ILE N N 115.446 0.037 1 463 54 54 HIS H H 7.100 0.013 1 464 54 54 HIS HA H 4.462 0.004 1 465 54 54 HIS HB2 H 2.677 0.013 1 466 54 54 HIS HB3 H 2.677 0.013 1 467 54 54 HIS HD2 H 6.454 0.002 1 468 54 54 HIS C C 174.896 . 1 469 54 54 HIS CA C 55.395 0.054 1 470 54 54 HIS CB C 28.564 0.065 1 471 54 54 HIS CD2 C 130.631 0.005 1 472 54 54 HIS N N 117.283 0.056 1 473 55 55 ILE H H 7.247 0.012 1 474 55 55 ILE HA H 3.884 0.015 1 475 55 55 ILE HB H 1.719 0.01 1 476 55 55 ILE HG12 H 1.341 0.013 2 477 55 55 ILE HG13 H 1.021 0.011 2 478 55 55 ILE HG2 H 0.759 0.013 1 479 55 55 ILE HD1 H 0.708 0.012 1 480 55 55 ILE C C 175.788 . 1 481 55 55 ILE CA C 61.915 0.073 1 482 55 55 ILE CB C 38.420 0.068 1 483 55 55 ILE CG1 C 27.339 0.034 1 484 55 55 ILE CG2 C 17.415 0.074 1 485 55 55 ILE CD1 C 12.996 0.057 1 486 55 55 ILE N N 119.709 0.047 1 487 56 56 ALA H H 8.009 0.011 1 488 56 56 ALA HA H 4.197 0.014 1 489 56 56 ALA HB H 1.223 0.013 1 490 56 56 ALA C C 177.042 . 1 491 56 56 ALA CA C 52.204 0.056 1 492 56 56 ALA CB C 19.190 0.068 1 493 56 56 ALA N N 126.276 0.056 1 494 57 57 ASP H H 7.924 0.009 1 495 57 57 ASP HA H 4.447 0.008 1 496 57 57 ASP HB2 H 2.516 0.013 1 497 57 57 ASP HB3 H 2.516 0.013 1 498 57 57 ASP C C 176.200 . 1 499 57 57 ASP CA C 54.257 0.059 1 500 57 57 ASP CB C 41.256 0.041 1 501 57 57 ASP N N 119.736 0.044 1 502 58 58 GLY H H 7.903 0.009 1 503 58 58 GLY HA2 H 3.916 0.01 2 504 58 58 GLY HA3 H 3.994 0.008 2 505 58 58 GLY CA C 44.961 0.075 1 506 58 58 GLY N N 108.482 0.048 1 507 59 59 PRO HA H 4.352 0.0 1 508 59 59 PRO HB2 H 2.093 0.008 1 509 59 59 PRO HB3 H 2.093 0.008 1 510 59 59 PRO HG2 H 1.822 0.014 1 511 59 59 PRO HG3 H 1.822 0.014 1 512 59 59 PRO HD2 H 3.483 0.009 1 513 59 59 PRO HD3 H 3.483 0.009 1 514 59 59 PRO C C 176.875 . 1 515 59 59 PRO CA C 63.480 0.064 1 516 59 59 PRO CB C 31.639 . 1 517 59 59 PRO CG C 26.989 0.039 1 518 59 59 PRO CD C 49.803 0.018 1 519 60 60 LEU H H 8.314 0.009 1 520 60 60 LEU HA H 4.313 0.011 1 521 60 60 LEU HB2 H 1.426 0.01 2 522 60 60 LEU HB3 H 1.618 0.015 2 523 60 60 LEU HG H 1.424 0.013 1 524 60 60 LEU HD1 H 0.585 0.015 1 525 60 60 LEU HD2 H 0.610 0.012 1 526 60 60 LEU C C 174.836 . 1 527 60 60 LEU CA C 54.188 0.06 1 528 60 60 LEU CB C 41.692 0.037 1 529 60 60 LEU CG C 26.901 0.003 1 530 60 60 LEU CD1 C 23.005 0.045 2 531 60 60 LEU CD2 C 25.524 0.06 2 532 60 60 LEU N N 120.479 0.034 1 533 61 61 LYS H H 7.587 0.01 1 534 61 61 LYS HA H 4.907 0.014 1 535 61 61 LYS HB2 H 1.431 0.013 1 536 61 61 LYS HB3 H 1.431 0.013 1 537 61 61 LYS HG2 H 0.973 0.012 1 538 61 61 LYS HG3 H 0.973 0.012 1 539 61 61 LYS HD2 H 1.427 0.011 1 540 61 61 LYS HD3 H 1.427 0.011 1 541 61 61 LYS HE2 H 2.782 0.012 1 542 61 61 LYS HE3 H 2.782 0.012 1 543 61 61 LYS C C 175.533 . 1 544 61 61 LYS CA C 54.322 0.054 1 545 61 61 LYS CB C 35.449 0.035 1 546 61 61 LYS CG C 25.191 . 1 547 61 61 LYS CD C 29.395 0.01 1 548 61 61 LYS CE C 41.411 0.018 1 549 61 61 LYS N N 120.279 0.057 1 550 62 62 CYS H H 9.008 0.012 1 551 62 62 CYS HA H 4.349 0.013 1 552 62 62 CYS HB2 H 2.727 0.01 2 553 62 62 CYS HB3 H 3.195 0.013 2 554 62 62 CYS C C 177.533 . 1 555 62 62 CYS CA C 59.489 0.046 1 556 62 62 CYS CB C 29.664 0.074 1 557 62 62 CYS N N 127.047 0.06 1 558 63 63 ARG H H 9.213 0.008 1 559 63 63 ARG HA H 3.996 0.015 1 560 63 63 ARG HB2 H 1.789 0.013 1 561 63 63 ARG HB3 H 1.789 0.013 1 562 63 63 ARG HG2 H 1.586 0.013 1 563 63 63 ARG HG3 H 1.586 0.013 1 564 63 63 ARG HD2 H 3.085 0.013 1 565 63 63 ARG HD3 H 3.085 0.013 1 566 63 63 ARG C C 176.307 . 1 567 63 63 ARG CA C 58.135 0.061 1 568 63 63 ARG CB C 29.869 0.078 1 569 63 63 ARG CG C 27.124 0.035 1 570 63 63 ARG CD C 43.293 0.028 1 571 63 63 ARG N N 131.833 0.032 1 572 64 64 GLU H H 8.674 0.007 1 573 64 64 GLU HA H 4.075 0.012 1 574 64 64 GLU HB2 H 1.186 0.009 2 575 64 64 GLU HB3 H 1.008 0.004 2 576 64 64 GLU HG2 H 1.675 0.014 1 577 64 64 GLU HG3 H 1.675 0.014 1 578 64 64 GLU C C 177.231 . 1 579 64 64 GLU CA C 57.835 0.022 1 580 64 64 GLU CB C 29.173 0.048 1 581 64 64 GLU CG C 35.257 0.051 1 582 64 64 GLU N N 120.210 0.058 1 583 65 65 CYS H H 8.115 0.008 1 584 65 65 CYS HA H 5.028 0.01 1 585 65 65 CYS HB2 H 2.723 0.011 2 586 65 65 CYS HB3 H 3.309 0.012 2 587 65 65 CYS C C 176.295 . 1 588 65 65 CYS CA C 58.223 0.037 1 589 65 65 CYS CB C 32.339 0.061 1 590 65 65 CYS N N 115.424 0.057 1 591 66 66 GLY H H 7.984 0.011 1 592 66 66 GLY HA2 H 3.630 0.013 2 593 66 66 GLY HA3 H 4.080 0.014 2 594 66 66 GLY C C 173.337 . 1 595 66 66 GLY CA C 46.164 0.06 1 596 66 66 GLY N N 113.249 0.039 1 597 67 67 LYS H H 7.700 0.009 1 598 67 67 LYS HA H 3.824 0.009 1 599 67 67 LYS HB2 H 1.082 0.015 2 600 67 67 LYS HB3 H 1.317 0.007 2 601 67 67 LYS HG2 H 0.923 0.014 1 602 67 67 LYS HG3 H 0.923 0.014 1 603 67 67 LYS HD2 H 1.335 0.009 1 604 67 67 LYS HD3 H 1.335 0.009 1 605 67 67 LYS HE2 H 2.798 0.009 2 606 67 67 LYS HE3 H 2.836 0.011 2 607 67 67 LYS C C 174.006 . 1 608 67 67 LYS CA C 57.937 0.071 1 609 67 67 LYS CB C 33.563 0.059 1 610 67 67 LYS CG C 26.138 . 1 611 67 67 LYS CD C 28.967 0.043 1 612 67 67 LYS CE C 42.133 0.037 1 613 67 67 LYS N N 122.126 0.044 1 614 68 68 GLN H H 7.911 0.005 1 615 68 68 GLN HA H 4.678 0.011 1 616 68 68 GLN HB2 H 1.603 0.01 2 617 68 68 GLN HB3 H 1.738 0.004 2 618 68 68 GLN HG2 H 2.037 0.011 1 619 68 68 GLN HG3 H 2.037 0.011 1 620 68 68 GLN HE21 H 6.720 0.01 1 621 68 68 GLN HE22 H 7.445 0.009 1 622 68 68 GLN C C 174.813 . 1 623 68 68 GLN CA C 54.550 0.069 1 624 68 68 GLN CB C 31.199 0.003 1 625 68 68 GLN CG C 34.108 0.045 1 626 68 68 GLN N N 120.787 0.059 1 627 68 68 GLN NE2 N 111.914 0.054 1 628 69 69 PHE H H 8.308 0.01 1 629 69 69 PHE HB2 H 3.121 0.009 2 630 69 69 PHE HB3 H 2.540 0.015 2 631 69 69 PHE HD1 H 7.040 0.011 3 632 69 69 PHE HD2 H 7.040 0.011 3 633 69 69 PHE HZ H 5.878 0.001 1 634 69 69 PHE C C 175.241 . 1 635 69 69 PHE CA C 57.347 0.051 1 636 69 69 PHE CB C 43.408 0.061 1 637 69 69 PHE CD1 C 135.014 0.033 3 638 69 69 PHE CD2 C 135.014 0.033 3 639 69 69 PHE CZ C 131.475 . 1 640 69 69 PHE N N 120.205 0.059 1 641 70 70 THR H H 9.023 0.005 1 642 70 70 THR HA H 4.267 0.009 1 643 70 70 THR HB H 4.284 0.007 1 644 70 70 THR HG2 H 1.123 0.014 1 645 70 70 THR C C 175.435 . 1 646 70 70 THR CA C 62.819 0.028 1 647 70 70 THR CB C 69.591 0.076 1 648 70 70 THR CG2 C 22.256 0.075 1 649 70 70 THR N N 108.936 0.034 1 650 71 71 THR H H 7.150 0.011 1 651 71 71 THR HA H 4.732 0.002 1 652 71 71 THR HB H 4.444 0.014 1 653 71 71 THR HG2 H 1.107 0.011 1 654 71 71 THR C C 174.614 . 1 655 71 71 THR CA C 58.874 0.024 1 656 71 71 THR CB C 72.806 0.031 1 657 71 71 THR N N 108.345 0.042 1 658 72 72 SER H H 9.243 0.007 1 659 72 72 SER HA H 3.900 0.013 1 660 72 72 SER HB2 H 3.807 0.015 1 661 72 72 SER HB3 H 3.807 0.015 1 662 72 72 SER C C 177.313 . 1 663 72 72 SER CA C 61.112 0.052 1 664 72 72 SER CB C 62.316 0.04 1 665 72 72 SER N N 119.177 0.031 1 666 73 73 GLY H H 8.661 0.007 1 667 73 73 GLY HA2 H 3.804 0.014 1 668 73 73 GLY HA3 H 3.804 0.014 1 669 73 73 GLY C C 176.236 . 1 670 73 73 GLY CA C 46.952 0.067 1 671 73 73 GLY N N 110.453 0.019 1 672 74 74 ASN H H 7.740 0.006 1 673 74 74 ASN HA H 4.397 0.012 1 674 74 74 ASN HB2 H 2.821 0.013 1 675 74 74 ASN HB3 H 2.821 0.013 1 676 74 74 ASN C C 177.974 . 1 677 74 74 ASN CA C 55.210 0.021 1 678 74 74 ASN CB C 37.623 0.079 1 679 74 74 ASN N N 120.577 0.015 1 680 75 75 LEU H H 7.343 0.009 1 681 75 75 LEU HA H 2.948 0.013 1 682 75 75 LEU HB2 H 1.041 0.015 2 683 75 75 LEU HB3 H 1.841 0.013 2 684 75 75 LEU HG H 1.346 0.007 1 685 75 75 LEU HD1 H 0.793 0.011 2 686 75 75 LEU HD2 H 0.704 0.013 2 687 75 75 LEU C C 177.097 . 1 688 75 75 LEU CA C 57.968 0.078 1 689 75 75 LEU CB C 40.520 0.079 1 690 75 75 LEU CG C 26.908 0.021 1 691 75 75 LEU CD1 C 26.273 0.058 2 692 75 75 LEU CD2 C 22.725 0.056 2 693 75 75 LEU N N 123.304 0.046 1 694 76 76 LYS H H 8.254 0.01 1 695 76 76 LYS HA H 3.648 0.008 1 696 76 76 LYS HB2 H 1.721 0.014 1 697 76 76 LYS HB3 H 1.721 0.014 1 698 76 76 LYS HG2 H 1.233 0.012 1 699 76 76 LYS HG3 H 1.232 0.012 1 700 76 76 LYS HD2 H 1.487 0.013 1 701 76 76 LYS HD3 H 1.487 0.013 1 702 76 76 LYS HE2 H 2.780 0.011 1 703 76 76 LYS HE3 H 2.780 0.011 1 704 76 76 LYS C C 179.149 . 1 705 76 76 LYS CA C 60.272 0.053 1 706 76 76 LYS CB C 31.908 0.072 1 707 76 76 LYS CG C 25.900 0.001 1 708 76 76 LYS CD C 29.270 0.048 1 709 76 76 LYS CE C 41.796 0.008 1 710 76 76 LYS N N 118.414 0.03 1 711 77 77 ARG H H 7.452 0.009 1 712 77 77 ARG HA H 3.799 0.008 1 713 77 77 ARG HB2 H 1.692 0.014 1 714 77 77 ARG HB3 H 1.692 0.014 1 715 77 77 ARG HG2 H 1.439 0.009 1 716 77 77 ARG HG3 H 1.439 0.009 1 717 77 77 ARG HD2 H 3.057 0.012 1 718 77 77 ARG HD3 H 3.057 0.012 1 719 77 77 ARG C C 178.514 . 1 720 77 77 ARG CA C 59.234 0.037 1 721 77 77 ARG CB C 30.442 0.07 1 722 77 77 ARG CG C 27.980 0.018 1 723 77 77 ARG CD C 43.205 0.01 1 724 77 77 ARG N N 117.219 0.057 1 725 78 78 HIS H H 7.306 0.012 1 726 78 78 HIS HA H 4.039 0.011 1 727 78 78 HIS HB2 H 2.931 0.01 2 728 78 78 HIS HB3 H 2.643 0.015 2 729 78 78 HIS HD2 H 6.719 0.015 1 730 78 78 HIS HE1 H 7.900 0.003 1 731 78 78 HIS C C 175.930 . 1 732 78 78 HIS CA C 59.113 0.075 1 733 78 78 HIS CB C 28.286 0.065 1 734 78 78 HIS CD2 C 130.741 . 1 735 78 78 HIS CE1 C 142.456 . 1 736 78 78 HIS N N 119.279 0.042 1 737 79 79 LEU H H 8.084 0.009 1 738 79 79 LEU HA H 3.643 0.013 1 739 79 79 LEU HB2 H 1.415 0.014 2 740 79 79 LEU HB3 H 1.755 0.011 2 741 79 79 LEU HG H 1.083 0.013 1 742 79 79 LEU HD1 H 0.840 0.013 1 743 79 79 LEU HD2 H 0.840 0.013 1 744 79 79 LEU C C 178.932 . 1 745 79 79 LEU CA C 57.964 0.034 1 746 79 79 LEU CB C 41.703 0.061 1 747 79 79 LEU CG C 24.335 0.049 1 748 79 79 LEU CD1 C 25.641 0.055 1 749 79 79 LEU CD2 C 25.641 0.055 1 750 79 79 LEU N N 116.633 0.031 1 751 80 80 ARG H H 6.954 0.011 1 752 80 80 ARG HA H 3.936 0.011 1 753 80 80 ARG HB2 H 1.677 0.008 1 754 80 80 ARG HB3 H 1.677 0.008 1 755 80 80 ARG HG2 H 1.540 0.012 1 756 80 80 ARG HG3 H 1.540 0.012 1 757 80 80 ARG HD2 H 3.053 0.01 1 758 80 80 ARG HD3 H 3.053 0.01 1 759 80 80 ARG C C 178.644 . 1 760 80 80 ARG CA C 58.327 0.054 1 761 80 80 ARG CB C 29.806 0.043 1 762 80 80 ARG CG C 27.104 0.009 1 763 80 80 ARG CD C 43.397 0.007 1 764 80 80 ARG N N 116.912 0.049 1 765 81 81 ILE H H 7.763 0.009 1 766 81 81 ILE HA H 3.798 0.006 1 767 81 81 ILE HB H 1.536 0.01 1 768 81 81 ILE HG12 H 0.786 0.011 1 769 81 81 ILE HG13 H 0.786 0.011 1 770 81 81 ILE HG2 H 0.443 0.011 1 771 81 81 ILE HD1 H 0.564 0.014 1 772 81 81 ILE C C 177.513 . 1 773 81 81 ILE CA C 63.010 0.058 1 774 81 81 ILE CB C 37.270 0.061 1 775 81 81 ILE N N 116.941 0.024 1 776 82 82 HIS H H 6.975 0.013 1 777 82 82 HIS HA H 4.627 0.005 1 778 82 82 HIS HB2 H 3.196 0.008 2 779 82 82 HIS HB3 H 2.951 0.01 2 780 82 82 HIS HD2 H 6.516 0.008 1 781 82 82 HIS HE1 H 7.882 0.011 1 782 82 82 HIS C C 175.365 . 1 783 82 82 HIS CA C 55.064 0.047 1 784 82 82 HIS CB C 28.514 0.032 1 785 82 82 HIS CD2 C 130.548 0.028 1 786 82 82 HIS CE1 C 142.545 0.07 1 787 82 82 HIS N N 117.229 0.046 1 788 83 83 SER H H 7.586 0.007 1 789 83 83 SER HA H 4.261 0.01 1 790 83 83 SER HB2 H 3.775 0.012 1 791 83 83 SER HB3 H 3.775 0.012 1 792 83 83 SER C C 174.859 . 1 793 83 83 SER CA C 59.132 0.053 1 794 83 83 SER CB C 63.674 0.037 1 795 83 83 SER N N 114.372 0.051 1 796 84 84 GLY H H 8.061 0.005 1 797 84 84 GLY HA2 H 3.816 0.013 1 798 84 84 GLY HA3 H 3.816 0.013 1 799 84 84 GLY C C 174.031 . 1 800 84 84 GLY CA C 45.361 0.07 1 801 84 84 GLY N N 110.203 0.018 1 802 85 85 GLU H H 7.881 0.01 1 803 85 85 GLU HA H 4.085 0.012 1 804 85 85 GLU HB2 H 1.807 0.012 2 805 85 85 GLU HB3 H 1.873 0.012 2 806 85 85 GLU HG2 H 2.113 0.014 2 807 85 85 GLU HG3 H 2.141 0.009 2 808 85 85 GLU C C 176.197 . 1 809 85 85 GLU CA C 56.641 0.071 1 810 85 85 GLU CB C 30.408 0.042 1 811 85 85 GLU CG C 36.140 0.054 1 812 85 85 GLU N N 119.951 0.02 1 813 86 86 LYS H H 8.079 0.009 1 814 86 86 LYS HA H 4.391 0.012 1 815 86 86 LYS HB2 H 1.440 0.013 1 816 86 86 LYS HB3 H 1.440 0.013 1 817 86 86 LYS HG2 H 1.069 0.007 1 818 86 86 LYS HG3 H 1.069 0.007 1 819 86 86 LYS HD2 H 1.207 0.014 1 820 86 86 LYS HD3 H 1.207 0.014 1 821 86 86 LYS CA C 53.803 0.006 1 822 86 86 LYS CB C 33.098 0.008 1 823 86 86 LYS N N 121.528 0.041 1 824 87 87 PRO HA H 4.165 0.011 1 825 87 87 PRO HB2 H 1.871 0.014 1 826 87 87 PRO HB3 H 1.871 0.014 1 827 87 87 PRO HG2 H 1.677 0.007 1 828 87 87 PRO HG3 H 1.677 0.007 1 829 87 87 PRO HD2 H 3.451 0.009 1 830 87 87 PRO HD3 H 3.451 0.009 1 831 87 87 PRO C C 176.103 . 1 832 87 87 PRO CA C 63.071 0.068 1 833 87 87 PRO CB C 31.922 0.036 1 834 87 87 PRO CG C 26.478 0.076 1 835 87 87 PRO CD C 49.706 0.016 1 836 88 88 TYR H H 7.917 0.006 1 837 88 88 TYR HA H 4.453 0.014 1 838 88 88 TYR HB2 H 2.763 0.011 1 839 88 88 TYR HB3 H 2.764 0.011 1 840 88 88 TYR HD1 H 6.883 0.01 3 841 88 88 TYR HD2 H 6.883 0.01 3 842 88 88 TYR C C 174.419 . 1 843 88 88 TYR CA C 57.597 0.042 1 844 88 88 TYR CB C 37.762 0.058 1 845 88 88 TYR CD1 C 136.067 0.026 3 846 88 88 TYR CD2 C 136.067 0.026 3 847 88 88 TYR N N 119.446 0.054 1 848 89 89 VAL H H 8.195 0.007 1 849 89 89 VAL HA H 4.578 0.011 1 850 89 89 VAL HB H 1.702 0.013 1 851 89 89 VAL HG1 H 0.649 0.011 2 852 89 89 VAL HG2 H 0.599 0.013 2 853 89 89 VAL C C 175.019 . 1 854 89 89 VAL CA C 60.879 0.054 1 855 89 89 VAL CB C 34.764 0.029 1 856 89 89 VAL CG1 C 21.513 0.065 2 857 89 89 VAL CG2 C 20.584 0.048 2 858 89 89 VAL N N 123.957 0.037 1 859 90 90 CYS H H 8.869 0.009 1 860 90 90 CYS HA H 4.504 0.013 1 861 90 90 CYS HB2 H 2.753 0.012 2 862 90 90 CYS HB3 H 3.275 0.01 2 863 90 90 CYS C C 177.110 . 1 864 90 90 CYS CA C 59.226 0.065 1 865 90 90 CYS CB C 29.983 0.071 1 866 90 90 CYS N N 128.789 0.03 1 867 91 91 ILE H H 8.687 0.007 1 868 91 91 ILE HA H 3.915 0.01 1 869 91 91 ILE HB H 1.700 0.007 1 870 91 91 ILE HG12 H 0.957 0.012 1 871 91 91 ILE HG13 H 0.957 0.012 1 872 91 91 ILE HG2 H 0.625 0.009 1 873 91 91 ILE HD1 H 0.749 0.007 1 874 91 91 ILE C C 175.617 . 1 875 91 91 ILE CA C 62.872 0.064 1 876 91 91 ILE CB C 37.599 0.048 1 877 91 91 ILE CG1 C 28.529 . 1 878 91 91 ILE CG2 C 17.542 0.027 1 879 91 91 ILE CD1 C 13.948 . 1 880 91 91 ILE N N 128.330 0.035 1 881 92 92 HIS H H 8.526 0.015 1 882 92 92 HIS HA H 4.204 0.013 1 883 92 92 HIS HB2 H 1.768 0.013 2 884 92 92 HIS HB3 H 2.205 0.013 2 885 92 92 HIS C C 176.698 . 1 886 92 92 HIS CA C 57.915 0.038 1 887 92 92 HIS CB C 29.583 0.068 1 888 92 92 HIS N N 121.590 0.059 1 889 93 93 CYS H H 7.958 0.013 1 890 93 93 CYS HA H 5.023 0.007 1 891 93 93 CYS HB2 H 3.312 0.015 2 892 93 93 CYS HB3 H 2.723 0.014 2 893 93 93 CYS C C 174.973 . 1 894 93 93 CYS CA C 58.432 0.033 1 895 93 93 CYS CB C 32.158 0.072 1 896 93 93 CYS N N 115.876 0.021 1 897 94 94 GLN H H 8.178 0.011 1 898 94 94 GLN HA H 3.876 0.012 1 899 94 94 GLN HB2 H 2.306 0.011 2 900 94 94 GLN HB3 H 2.186 0.007 2 901 94 94 GLN HG2 H 2.099 0.015 1 902 94 94 GLN HG3 H 2.099 0.015 1 903 94 94 GLN HE21 H 7.129 0.01 1 904 94 94 GLN HE22 H 6.368 0.004 1 905 94 94 GLN C C 174.707 . 1 906 94 94 GLN CA C 58.288 0.073 1 907 94 94 GLN CB C 25.429 0.055 1 908 94 94 GLN CG C 34.360 0.054 1 909 94 94 GLN N N 116.348 0.034 1 910 94 94 GLN NE2 N 112.157 0.053 1 911 95 95 ARG H H 7.856 0.011 1 912 95 95 ARG HA H 3.927 0.012 1 913 95 95 ARG HB2 H 1.354 0.012 2 914 95 95 ARG HB3 H 1.201 0.015 2 915 95 95 ARG HG2 H 1.705 0.011 2 916 95 95 ARG HG3 H 1.671 0.015 2 917 95 95 ARG HD2 H 2.758 0.009 2 918 95 95 ARG HD3 H 2.976 0.008 2 919 95 95 ARG C C 174.113 . 1 920 95 95 ARG CA C 57.979 0.031 1 921 95 95 ARG CB C 31.403 0.038 1 922 95 95 ARG CG C 28.398 0.018 1 923 95 95 ARG CD C 43.547 0.078 1 924 95 95 ARG N N 121.105 0.053 1 925 96 96 GLN H H 7.833 0.007 1 926 96 96 GLN HA H 4.845 0.011 1 927 96 96 GLN HB2 H 2.034 0.014 1 928 96 96 GLN HB3 H 2.034 0.014 1 929 96 96 GLN HG2 H 2.189 0.012 1 930 96 96 GLN HG3 H 2.189 0.012 1 931 96 96 GLN C C 174.982 . 1 932 96 96 GLN CA C 54.273 0.056 1 933 96 96 GLN CB C 31.188 0.035 1 934 96 96 GLN CG C 34.060 . 1 935 96 96 GLN N N 119.070 0.045 1 936 97 97 PHE H H 8.875 0.008 1 937 97 97 PHE HA H 4.456 0.014 1 938 97 97 PHE HB2 H 2.596 0.009 2 939 97 97 PHE HB3 H 3.114 0.011 2 940 97 97 PHE HD1 H 7.039 0.012 3 941 97 97 PHE HD2 H 7.039 0.012 3 942 97 97 PHE HE1 H 6.665 0.002 3 943 97 97 PHE HE2 H 6.665 0.002 3 944 97 97 PHE HZ H 5.869 0.005 1 945 97 97 PHE C C 174.888 . 1 946 97 97 PHE CA C 57.285 0.011 1 947 97 97 PHE CB C 43.463 0.069 1 948 97 97 PHE CD1 C 135.172 0.041 3 949 97 97 PHE CD2 C 135.172 0.041 3 950 97 97 PHE CZ C 131.433 0.017 1 951 97 97 PHE N N 118.706 0.052 1 952 98 98 ALA H H 9.019 0.01 1 953 98 98 ALA HA H 4.462 0.014 1 954 98 98 ALA HB H 1.454 0.011 1 955 98 98 ALA C C 176.342 . 1 956 98 98 ALA CA C 53.297 0.015 1 957 98 98 ALA CB C 19.970 0.057 1 958 98 98 ALA N N 121.599 0.032 1 959 99 99 ASP H H 7.323 0.006 1 960 99 99 ASP HA H 4.742 0.013 1 961 99 99 ASP HB2 H 2.535 0.014 2 962 99 99 ASP HB3 H 2.666 0.013 2 963 99 99 ASP CA C 51.162 0.064 1 964 99 99 ASP CB C 42.663 0.035 1 965 99 99 ASP N N 114.064 0.051 1 966 100 100 PRO HA H 3.463 0.014 1 967 100 100 PRO HB2 H 1.712 0.012 2 968 100 100 PRO HB3 H 1.641 0.011 2 969 100 100 PRO HG2 H 1.556 0.007 2 970 100 100 PRO HG3 H 1.811 0.014 2 971 100 100 PRO HD2 H 3.025 0.008 2 972 100 100 PRO HD3 H 3.617 0.01 2 973 100 100 PRO C C 178.935 . 1 974 100 100 PRO CA C 64.030 0.075 1 975 100 100 PRO CB C 31.142 0.071 1 976 100 100 PRO CG C 26.824 0.024 1 977 100 100 PRO CD C 50.016 0.034 1 978 101 101 GLY H H 8.262 0.01 1 979 101 101 GLY HA2 H 3.630 0.011 1 980 101 101 GLY HA3 H 3.630 0.011 1 981 101 101 GLY C C 175.852 . 1 982 101 101 GLY CA C 46.678 0.054 1 983 101 101 GLY N N 110.226 0.057 1 984 102 102 ALA H H 8.019 0.005 1 985 102 102 ALA HA H 3.817 0.012 1 986 102 102 ALA HB H 1.465 0.011 1 987 102 102 ALA C C 180.540 . 1 988 102 102 ALA CA C 54.496 0.046 1 989 102 102 ALA CB C 18.812 0.071 1 990 102 102 ALA N N 125.555 0.035 1 991 103 103 LEU H H 6.789 0.009 1 992 103 103 LEU HA H 2.975 0.008 1 993 103 103 LEU HB2 H 1.706 0.013 2 994 103 103 LEU HB3 H 1.029 0.009 2 995 103 103 LEU HG H 1.429 0.01 1 996 103 103 LEU HD1 H 0.775 0.01 2 997 103 103 LEU HD2 H 0.864 0.015 2 998 103 103 LEU C C 176.809 . 1 999 103 103 LEU CA C 57.588 0.064 1 1000 103 103 LEU CB C 40.519 0.066 1 1001 103 103 LEU CG C 26.606 . 1 1002 103 103 LEU CD1 C 23.066 0.038 2 1003 103 103 LEU CD2 C 23.359 0.026 2 1004 103 103 LEU N N 118.329 0.033 1 1005 104 104 GLN H H 7.861 0.009 1 1006 104 104 GLN HA H 3.800 0.011 1 1007 104 104 GLN HB2 H 1.990 0.014 1 1008 104 104 GLN HB3 H 1.990 0.014 1 1009 104 104 GLN HG2 H 2.220 0.015 2 1010 104 104 GLN HG3 H 2.304 0.009 2 1011 104 104 GLN HE21 H 6.657 0.015 1 1012 104 104 GLN HE22 H 7.476 0.011 1 1013 104 104 GLN C C 178.340 . 1 1014 104 104 GLN CA C 58.869 0.057 1 1015 104 104 GLN CB C 27.988 0.053 1 1016 104 104 GLN CG C 33.706 0.078 1 1017 104 104 GLN N N 118.337 0.053 1 1018 104 104 GLN NE2 N 111.002 0.052 1 1019 105 105 ARG H H 7.707 0.005 1 1020 105 105 ARG HA H 3.815 0.009 1 1021 105 105 ARG HB2 H 1.640 0.011 1 1022 105 105 ARG HB3 H 1.639 0.011 1 1023 105 105 ARG HG2 H 1.332 0.008 1 1024 105 105 ARG HG3 H 1.332 0.008 1 1025 105 105 ARG HD2 H 3.062 0.008 1 1026 105 105 ARG HD3 H 3.062 0.008 1 1027 105 105 ARG C C 178.351 . 1 1028 105 105 ARG CA C 58.968 0.054 1 1029 105 105 ARG CB C 30.210 0.055 1 1030 105 105 ARG CG C 28.003 0.008 1 1031 105 105 ARG CD C 43.004 0.009 1 1032 105 105 ARG N N 116.516 0.04 1 1033 106 106 HIS H H 7.363 0.01 1 1034 106 106 HIS HA H 4.103 0.014 1 1035 106 106 HIS HB2 H 2.703 0.011 2 1036 106 106 HIS HB3 H 2.900 0.01 2 1037 106 106 HIS HD2 H 6.681 0.004 1 1038 106 106 HIS HE1 H 7.878 . 1 1039 106 106 HIS C C 176.619 . 1 1040 106 106 HIS CA C 59.059 0.077 1 1041 106 106 HIS CB C 28.524 0.075 1 1042 106 106 HIS N N 118.237 0.053 1 1043 107 107 VAL H H 8.352 0.008 1 1044 107 107 VAL HA H 3.473 0.012 1 1045 107 107 VAL HB H 2.207 0.014 1 1046 107 107 VAL HG1 H 1.257 0.013 2 1047 107 107 VAL HG2 H 1.191 0.014 2 1048 107 107 VAL C C 176.810 . 1 1049 107 107 VAL CA C 66.042 0.036 1 1050 107 107 VAL CB C 31.888 0.07 1 1051 107 107 VAL CG1 C 22.376 0.024 2 1052 107 107 VAL CG2 C 21.848 0.048 2 1053 107 107 VAL N N 114.907 0.041 1 1054 108 108 ARG H H 6.735 0.008 1 1055 108 108 ARG HA H 4.002 0.009 1 1056 108 108 ARG HB2 H 1.614 0.008 1 1057 108 108 ARG HB3 H 1.614 0.008 1 1058 108 108 ARG HG2 H 1.515 0.01 1 1059 108 108 ARG HG3 H 1.515 0.01 1 1060 108 108 ARG HD2 H 3.048 0.007 1 1061 108 108 ARG HD3 H 3.048 0.007 1 1062 108 108 ARG C C 178.341 . 1 1063 108 108 ARG CA C 57.871 0.067 1 1064 108 108 ARG CB C 29.759 0.041 1 1065 108 108 ARG CG C 27.003 0.006 1 1066 108 108 ARG CD C 43.062 0.065 1 1067 108 108 ARG N N 117.784 0.052 1 1068 109 109 ILE H H 7.712 0.01 1 1069 109 109 ILE HA H 3.813 0.015 1 1070 109 109 ILE HB H 1.548 0.013 1 1071 109 109 ILE HG12 H 0.754 0.015 2 1072 109 109 ILE HG13 H 0.815 0.015 2 1073 109 109 ILE HG2 H 0.441 0.015 1 1074 109 109 ILE HD1 H 0.526 0.013 1 1075 109 109 ILE C C 176.877 . 1 1076 109 109 ILE CA C 63.016 0.054 1 1077 109 109 ILE CB C 37.442 0.052 1 1078 109 109 ILE CG1 C 26.404 0.037 1 1079 109 109 ILE CG2 C 16.582 0.078 1 1080 109 109 ILE CD1 C 14.638 0.053 1 1081 109 109 ILE N N 116.281 0.024 1 1082 110 110 HIS H H 7.299 0.008 1 1083 110 110 HIS HA H 4.476 0.015 1 1084 110 110 HIS HB2 H 2.600 0.01 2 1085 110 110 HIS HB3 H 2.481 0.002 2 1086 110 110 HIS HD2 H 6.574 0.009 1 1087 110 110 HIS HE1 H 7.913 . 1 1088 110 110 HIS C C 175.597 . 1 1089 110 110 HIS CA C 55.290 0.016 1 1090 110 110 HIS CB C 28.463 0.032 1 1091 110 110 HIS CD2 C 131.677 0.047 1 1092 110 110 HIS N N 117.512 0.029 1 1093 111 111 THR H H 7.528 0.012 1 1094 111 111 THR HA H 4.135 0.015 1 1095 111 111 THR HB H 4.176 0.014 1 1096 111 111 THR HG2 H 0.991 0.014 1 1097 111 111 THR C C 174.740 . 1 1098 111 111 THR CA C 62.068 0.059 1 1099 111 111 THR CB C 69.863 0.068 1 1100 111 111 THR CG2 C 21.179 0.058 1 1101 111 111 THR N N 109.948 0.055 1 1102 112 112 GLY H H 7.878 0.009 1 1103 112 112 GLY HA2 H 3.751 0.011 2 1104 112 112 GLY HA3 H 3.548 0.014 2 1105 112 112 GLY CA C 46.168 0.065 1 1106 112 112 GLY N N 117.415 0.04 1 stop_ save_