data_4998 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N Chemical Shift Assignments for the HPV-18 E2 DNA-binding Domain ; _BMRB_accession_number 4998 _BMRB_flat_file_name bmr4998.str _Entry_type original _Submission_date 2001-04-25 _Accession_date 2001-04-25 _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 Zhou Casey . . 2 Mutchler Veronica . . 3 McNab Alistair . . 4 Garlick Robert . . 5 Homa Fred . . 6 Marshall Vincent . . 7 Stockman Brian . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 365 "13C chemical shifts" 291 "15N chemical shifts" 76 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-01-07 original author . stop_ _Original_release_date 2003-01-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C and 15N Chemical Shift Assignments for the HPV-18 E2 DNA-binding Domain ; _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 Zhou Casey . . 2 Mutchler Veronica . . 3 McNab Alistair . . 4 Garlick Robert . . 5 Homa Fred . . 6 Marshall Vincent . . 7 Stockman Brian . . 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_system_E2-DBD _Saveframe_category molecular_system _Mol_system_name 'E2 DNA-binding domain' _Abbreviation_common E2-DBD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'E2-DBD monomer 1' $E2-DBD 'E2-DBD monomer 2' $E2-DBD stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state dimer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'E2-DBD monomer 1' 1 'E2-DBD monomer 2' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_E2-DBD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'E2 DNA-binding domain' _Abbreviation_common E2-DBD _Molecular_mass . _Mol_thiol_state 'all free' _Details 'des-Met form is predominant' ############################## # Polymer residue sequence # ############################## _Residue_count 89 _Mol_residue_sequence ; MGNTTPIIHLKGDRNSLKCL RYRLRKHSDHYRDISSTWHW TGAGNEKTGILTVTYHSETQ RTKFLNTVAIPDSVQILVGY MTMHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 ASN 4 THR 5 THR 6 PRO 7 ILE 8 ILE 9 HIS 10 LEU 11 LYS 12 GLY 13 ASP 14 ARG 15 ASN 16 SER 17 LEU 18 LYS 19 CYS 20 LEU 21 ARG 22 TYR 23 ARG 24 LEU 25 ARG 26 LYS 27 HIS 28 SER 29 ASP 30 HIS 31 TYR 32 ARG 33 ASP 34 ILE 35 SER 36 SER 37 THR 38 TRP 39 HIS 40 TRP 41 THR 42 GLY 43 ALA 44 GLY 45 ASN 46 GLU 47 LYS 48 THR 49 GLY 50 ILE 51 LEU 52 THR 53 VAL 54 THR 55 TYR 56 HIS 57 SER 58 GLU 59 THR 60 GLN 61 ARG 62 THR 63 LYS 64 PHE 65 LEU 66 ASN 67 THR 68 VAL 69 ALA 70 ILE 71 PRO 72 ASP 73 SER 74 VAL 75 GLN 76 ILE 77 LEU 78 VAL 79 GLY 80 TYR 81 MET 82 THR 83 MET 84 HIS 85 HIS 86 HIS 87 HIS 88 HIS 89 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 1F9F "Crystal Structure Of The Hpv-18 E2 Dna-Binding Domain" 88.76 83 100.00 100.00 2.08e-50 PDB 1JJ4 "Human Papillomavirus Type 18 E2 Dna-Binding Domain Bound To Its Dna Target" 88.76 83 100.00 100.00 2.08e-50 EMBL CAA28667 "E2 protein [Human papillomavirus type 18]" 92.13 365 100.00 100.00 2.52e-50 GB AAP20597 "E2 protein [Human papillomavirus type 18]" 92.13 365 100.00 100.00 2.13e-50 GB ABP99707 "E2 [Human papillomavirus type 18]" 92.13 365 100.00 100.00 2.39e-50 GB ABP99715 "E2 [Human papillomavirus type 18]" 92.13 365 100.00 100.00 2.13e-50 GB ABP99723 "E2 [Human papillomavirus type 18]" 92.13 365 100.00 100.00 2.08e-50 GB ABP99731 "E2 [Human papillomavirus type 18]" 92.13 365 100.00 100.00 2.13e-50 REF NP_040313 "E2 protein [Human papillomavirus - 18]" 92.13 365 100.00 100.00 2.52e-50 SP P06790 "RecName: Full=Regulatory protein E2 [Human papillomavirus type 18]" 92.13 365 100.00 100.00 2.06e-50 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $E2-DBD 'Human papillomavirus Strain 18' 10566 . . Papillomavirus 'Human papillomavirus' 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 $E2-DBD 'recombinant technology' . . . . . 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 $E2-DBD 0.8 mM '[U-98% 13C; U-98% 15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label $sample_1 save_ save_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_HBHA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label $sample_1 save_ save_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_1 save_ save_H-N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'H-N HSQC' _Sample_label $sample_1 save_ save_H-N_NOESY-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'H-N NOESY-HSQC' _Sample_label $sample_1 save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'H-N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'H-N NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 n/a temperature 300 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label TMS H 1 'methyl proton' ppm 0.00 external direct cylindrical external_to_the_sample parallel_to_Bo 1.0 $entry_citation $entry_citation TMS C 13 'methyl proton' ppm 0.00 external indirect cylindrical external_to_the_sample parallel_to_Bo 0.25145002 $entry_citation $entry_citation TMS N 15 'methyl proton' ppm 0.00 external indirect cylindrical external_to_the_sample parallel_to_Bo 0.10132914 $entry_citation $entry_citation 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_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'E2-DBD monomer 1' _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 . 4 THR HA H 5.01 0.02 1 2 . 4 THR HB H 3.91 0.02 1 3 . 4 THR HG2 H 0.98 0.02 1 4 . 4 THR CA C 59.95 0.1 1 5 . 4 THR CB C 67.75 0.1 1 6 . 4 THR CG2 C 19.93 0.1 1 7 . 5 THR H H 9.18 0.02 1 8 . 5 THR C C 171.68 0.1 1 9 . 5 THR CA C 57.48 0.1 1 10 . 5 THR N N 124.16 0.1 1 11 . 6 PRO HA H 4.73 0.02 1 12 . 6 PRO CA C 60.10 0.1 1 13 . 6 PRO CB C 29.24 0.1 1 14 . 7 ILE H H 8.49 0.02 1 15 . 7 ILE HA H 5.85 0.02 1 16 . 7 ILE HB H 1.82 0.02 1 17 . 7 ILE HG2 H 0.92 0.02 1 18 . 7 ILE HD1 H 0.49 0.02 1 19 . 7 ILE C C 173.65 0.1 1 20 . 7 ILE CA C 57.29 0.1 1 21 . 7 ILE CB C 42.10 0.1 1 22 . 7 ILE CG2 C 16.79 0.1 1 23 . 7 ILE CD1 C 12.90 0.1 1 24 . 7 ILE N N 115.39 0.1 1 25 . 8 ILE H H 8.90 0.02 1 26 . 8 ILE HA H 5.01 0.02 1 27 . 8 ILE HB H 1.88 0.02 1 28 . 8 ILE HG2 H 0.82 0.02 1 29 . 8 ILE C C 174.83 0.1 1 30 . 8 ILE CA C 58.93 0.1 1 31 . 8 ILE CB C 39.92 0.1 1 32 . 8 ILE CG2 C 15.73 0.1 1 33 . 8 ILE N N 115.93 0.1 1 34 . 9 HIS H H 8.91 0.02 1 35 . 9 HIS HA H 5.68 0.02 1 36 . 9 HIS HB2 H 2.81 0.02 2 37 . 9 HIS HB3 H 2.57 0.02 2 38 . 9 HIS C C 173.19 0.1 1 39 . 9 HIS CA C 51.27 0.1 1 40 . 9 HIS CB C 32.38 0.1 1 41 . 9 HIS N N 119.91 0.1 1 42 . 10 LEU H H 8.98 0.02 1 43 . 10 LEU HA H 5.17 0.02 1 44 . 10 LEU HB2 H 1.66 0.02 2 45 . 10 LEU HB3 H 0.92 0.02 2 46 . 10 LEU HG H 1.47 0.02 1 47 . 10 LEU HD1 H 0.82 0.02 2 48 . 10 LEU HD2 H 0.71 0.02 2 49 . 10 LEU C C 172.40 0.1 1 50 . 10 LEU CA C 50.25 0.1 1 51 . 10 LEU CB C 40.76 0.1 1 52 . 10 LEU CG C 23.68 0.1 1 53 . 10 LEU N N 122.16 0.1 1 54 . 11 LYS H H 8.76 0.02 1 55 . 11 LYS HA H 5.29 0.02 1 56 . 11 LYS HB2 H 1.65 0.02 2 57 . 11 LYS HB3 H 1.44 0.02 2 58 . 11 LYS HG2 H 1.40 0.02 2 59 . 11 LYS HG3 H 1.21 0.02 2 60 . 11 LYS HD2 H 1.62 0.02 1 61 . 11 LYS HD3 H 1.62 0.02 1 62 . 11 LYS HE2 H 2.70 0.02 1 63 . 11 LYS HE3 H 2.70 0.02 1 64 . 11 LYS C C 172.59 0.1 1 65 . 11 LYS CA C 51.76 0.1 1 66 . 11 LYS CB C 33.58 0.1 1 67 . 11 LYS CG C 22.68 0.1 1 68 . 11 LYS CD C 27.38 0.1 1 69 . 11 LYS CE C 39.54 0.1 1 70 . 11 LYS N N 120.73 0.1 1 71 . 12 GLY H H 8.30 0.02 1 72 . 12 GLY HA2 H 4.43 0.02 2 73 . 12 GLY HA3 H 4.19 0.02 2 74 . 12 GLY C C 173.46 0.1 1 75 . 12 GLY CA C 42.96 0.1 1 76 . 12 GLY N N 109.97 0.1 1 77 . 13 ASP H H 8.50 0.02 1 78 . 13 ASP HA H 4.59 0.02 1 79 . 13 ASP HB2 H 2.77 0.02 2 80 . 13 ASP HB3 H 2.61 0.02 2 81 . 13 ASP C C 168.61 0.1 1 82 . 13 ASP CA C 52.23 0.1 1 83 . 13 ASP CB C 40.03 0.1 1 84 . 13 ASP N N 120.16 0.1 1 85 . 14 ARG H H 8.61 0.02 1 86 . 14 ARG HA H 3.58 0.02 1 87 . 14 ARG HB2 H 1.72 0.02 2 88 . 14 ARG HB3 H 1.68 0.02 2 89 . 14 ARG HG2 H 1.47 0.02 1 90 . 14 ARG HG3 H 1.47 0.02 1 91 . 14 ARG HD2 H 3.07 0.02 2 92 . 14 ARG HD3 H 3.02 0.02 2 93 . 14 ARG C C 174.68 0.1 1 94 . 14 ARG CA C 58.64 0.1 1 95 . 14 ARG CB C 27.87 0.1 1 96 . 14 ARG CG C 26.01 0.1 1 97 . 14 ARG CD C 40.85 0.1 1 98 . 14 ARG N N 122.34 0.1 1 99 . 15 ASN H H 8.64 0.02 1 100 . 15 ASN HA H 4.46 0.02 1 101 . 15 ASN HB2 H 2.87 0.02 2 102 . 15 ASN HB3 H 2.76 0.02 2 103 . 15 ASN C C 176.39 0.1 1 104 . 15 ASN CA C 54.42 0.1 1 105 . 15 ASN CB C 35.59 0.1 1 106 . 15 ASN N N 118.46 0.1 1 107 . 16 SER H H 8.35 0.02 1 108 . 16 SER HA H 3.86 0.02 1 109 . 16 SER HB2 H 4.17 0.02 2 110 . 16 SER HB3 H 3.63 0.02 2 111 . 16 SER C C 175.96 0.1 1 112 . 16 SER CA C 59.80 0.1 1 113 . 16 SER CB C 59.96 0.1 1 114 . 16 SER N N 118.74 0.1 1 115 . 17 LEU H H 8.10 0.02 1 116 . 17 LEU HA H 3.84 0.02 1 117 . 17 LEU HB2 H 1.64 0.02 2 118 . 17 LEU HB3 H 1.17 0.02 2 119 . 17 LEU HD1 H 0.45 0.02 2 120 . 17 LEU HD2 H 0.38 0.02 2 121 . 17 LEU C C 175.25 0.1 1 122 . 17 LEU CA C 55.37 0.1 1 123 . 17 LEU CB C 38.75 0.1 1 124 . 17 LEU CD1 C 23.04 0.1 1 125 . 17 LEU CD2 C 19.79 0.1 1 126 . 17 LEU N N 121.15 0.1 1 127 . 18 LYS H H 7.83 0.02 1 128 . 18 LYS HA H 3.91 0.02 1 129 . 18 LYS HB2 H 1.97 0.02 1 130 . 18 LYS HB3 H 1.97 0.02 1 131 . 18 LYS HG2 H 1.39 0.02 2 132 . 18 LYS HG3 H 1.27 0.02 2 133 . 18 LYS HD2 H 1.70 0.02 2 134 . 18 LYS HD3 H 1.60 0.02 2 135 . 18 LYS HE2 H 2.95 0.02 1 136 . 18 LYS HE3 H 2.95 0.02 1 137 . 18 LYS C C 175.74 0.1 1 138 . 18 LYS CA C 57.85 0.1 1 139 . 18 LYS CB C 29.95 0.1 1 140 . 18 LYS CD C 27.55 0.1 1 141 . 18 LYS CE C 39.77 0.1 1 142 . 18 LYS N N 120.70 0.1 1 143 . 19 CYS H H 7.59 0.02 1 144 . 19 CYS HA H 4.20 0.02 1 145 . 19 CYS HB2 H 3.02 0.02 2 146 . 19 CYS HB3 H 2.95 0.02 2 147 . 19 CYS C C 177.01 0.1 1 148 . 19 CYS CA C 60.14 0.1 1 149 . 19 CYS CB C 24.32 0.1 1 150 . 19 CYS N N 116.91 0.1 1 151 . 20 LEU H H 8.03 0.02 1 152 . 20 LEU HA H 4.09 0.02 1 153 . 20 LEU HB2 H 1.80 0.02 2 154 . 20 LEU HB3 H 1.54 0.02 2 155 . 20 LEU HD1 H 0.90 0.02 2 156 . 20 LEU HD2 H 0.82 0.02 2 157 . 20 LEU C C 175.16 0.1 1 158 . 20 LEU CA C 55.39 0.1 1 159 . 20 LEU CB C 39.82 0.1 1 160 . 20 LEU CD1 C 21.58 0.1 1 161 . 20 LEU CD2 C 25.17 0.1 1 162 . 20 LEU N N 121.40 0.1 1 163 . 21 ARG H H 8.58 0.02 1 164 . 21 ARG HA H 3.61 0.02 1 165 . 21 ARG HB2 H 1.95 0.02 2 166 . 21 ARG C C 175.45 0.1 1 167 . 21 ARG CA C 58.16 0.1 1 168 . 21 ARG CB C 27.32 0.1 1 169 . 21 ARG N N 118.96 0.1 1 170 . 22 TYR H H 7.43 0.02 1 171 . 22 TYR HA H 3.91 0.02 1 172 . 22 TYR C C 175.54 0.1 1 173 . 22 TYR CA C 59.04 0.1 1 174 . 22 TYR CB C 35.58 0.1 1 175 . 22 TYR N N 116.61 0.1 1 176 . 23 ARG H H 7.88 0.02 1 177 . 23 ARG HA H 4.04 0.02 1 178 . 23 ARG HB2 H 2.04 0.02 1 179 . 23 ARG HB3 H 2.04 0.02 1 180 . 23 ARG HG2 H 1.70 0.02 1 181 . 23 ARG HG3 H 1.70 0.02 1 182 . 23 ARG HD2 H 3.26 0.02 1 183 . 23 ARG HD3 H 3.26 0.02 1 184 . 23 ARG C C 176.67 0.1 1 185 . 23 ARG CA C 57.11 0.1 1 186 . 23 ARG CB C 28.01 0.1 1 187 . 23 ARG CG C 25.77 0.1 1 188 . 23 ARG CD C 41.55 0.1 1 189 . 23 ARG N N 119.89 0.1 1 190 . 24 LEU H H 8.59 0.02 1 191 . 24 LEU HA H 4.18 0.02 1 192 . 24 LEU HB2 H 1.89 0.02 2 193 . 24 LEU HB3 H 1.46 0.02 2 194 . 24 LEU HD1 H 0.80 0.02 2 195 . 24 LEU HD2 H 0.60 0.02 2 196 . 24 LEU C C 177.05 0.1 1 197 . 24 LEU CA C 55.00 0.1 1 198 . 24 LEU CB C 38.81 0.1 1 199 . 24 LEU CD1 C 21.32 0.1 1 200 . 24 LEU CD2 C 22.99 0.1 1 201 . 24 LEU N N 117.28 0.1 1 202 . 25 ARG H H 7.75 0.02 1 203 . 25 ARG HA H 4.26 0.02 1 204 . 25 ARG HB2 H 1.91 0.02 1 205 . 25 ARG HB3 H 1.91 0.02 1 206 . 25 ARG HG2 H 1.82 0.02 1 207 . 25 ARG HG3 H 1.82 0.02 1 208 . 25 ARG HD2 H 3.11 0.02 1 209 . 25 ARG HD3 H 3.11 0.02 1 210 . 25 ARG C C 177.46 0.1 1 211 . 25 ARG CA C 56.71 0.1 1 212 . 25 ARG CB C 27.46 0.1 1 213 . 25 ARG CG C 25.14 0.1 1 214 . 25 ARG CD C 41.30 0.1 1 215 . 25 ARG N N 120.30 0.1 1 216 . 26 LYS H H 7.28 0.02 1 217 . 26 LYS HA H 4.17 0.02 1 218 . 26 LYS HB2 H 1.60 0.02 1 219 . 26 LYS HB3 H 1.60 0.02 1 220 . 26 LYS HG2 H 1.22 0.02 1 221 . 26 LYS HG3 H 1.22 0.02 1 222 . 26 LYS HD2 H 1.57 0.02 1 223 . 26 LYS HD3 H 1.57 0.02 1 224 . 26 LYS HE2 H 2.86 0.02 2 225 . 26 LYS HE3 H 2.88 0.02 2 226 . 26 LYS C C 175.55 0.1 1 227 . 26 LYS CA C 54.84 0.1 1 228 . 26 LYS CB C 29.70 0.1 1 229 . 26 LYS CG C 22.19 0.1 1 230 . 26 LYS CD C 26.73 0.1 1 231 . 26 LYS CE C 39.22 0.1 1 232 . 26 LYS N N 115.77 0.1 1 233 . 27 HIS H H 7.82 0.02 1 234 . 27 HIS HA H 5.01 0.02 1 235 . 27 HIS HB2 H 3.40 0.02 2 236 . 27 HIS HB3 H 2.87 0.02 2 237 . 27 HIS C C 174.21 0.1 1 238 . 27 HIS CA C 52.56 0.1 1 239 . 27 HIS CB C 27.78 0.1 1 240 . 27 HIS N N 118.14 0.1 1 241 . 28 SER H H 7.50 0.02 1 242 . 28 SER HA H 3.46 0.02 1 243 . 28 SER HB2 H 3.80 0.02 1 244 . 28 SER HB3 H 3.80 0.02 1 245 . 28 SER C C 173.31 0.1 1 246 . 28 SER CA C 58.63 0.1 1 247 . 28 SER CB C 60.65 0.1 1 248 . 28 SER N N 114.42 0.1 1 249 . 29 ASP H H 8.46 0.02 1 250 . 29 ASP HA H 4.42 0.02 1 251 . 29 ASP HB2 H 2.43 0.02 2 252 . 29 ASP HB3 H 2.21 0.02 2 253 . 29 ASP C C 171.83 0.1 1 254 . 29 ASP CA C 52.93 0.1 1 255 . 29 ASP CB C 37.38 0.1 1 256 . 29 ASP N N 118.29 0.1 1 257 . 30 HIS H H 8.31 0.02 1 258 . 30 HIS HA H 4.90 0.02 1 259 . 30 HIS HB2 H 3.75 0.02 2 260 . 30 HIS HB3 H 3.33 0.02 2 261 . 30 HIS C C 175.04 0.1 1 262 . 30 HIS CA C 53.95 0.1 1 263 . 30 HIS CB C 29.17 0.1 1 264 . 30 HIS N N 116.46 0.1 1 265 . 31 TYR H H 7.05 0.02 1 266 . 31 TYR HA H 4.57 0.02 1 267 . 31 TYR HB2 H 2.58 0.02 1 268 . 31 TYR HB3 H 2.58 0.02 1 269 . 31 TYR C C 170.71 0.1 1 270 . 31 TYR CA C 54.00 0.1 1 271 . 31 TYR CB C 37.51 0.1 1 272 . 31 TYR N N 112.10 0.1 1 273 . 32 ARG H H 8.78 0.02 1 274 . 32 ARG HA H 4.24 0.02 1 275 . 32 ARG HB2 H 1.90 0.02 1 276 . 32 ARG HB3 H 1.90 0.02 1 277 . 32 ARG HG2 H 0.50 0.02 1 278 . 32 ARG HG3 H 0.50 0.02 1 279 . 32 ARG HD2 H 2.44 0.02 2 280 . 32 ARG HD3 H 2.25 0.02 2 281 . 32 ARG C C 170.17 0.1 1 282 . 32 ARG CA C 55.16 0.1 1 283 . 32 ARG CB C 27.64 0.1 1 284 . 32 ARG CG C 28.32 0.1 1 285 . 32 ARG CD C 41.50 0.1 1 286 . 32 ARG N N 119.90 0.1 1 287 . 33 ASP H H 7.55 0.02 1 288 . 33 ASP HA H 4.91 0.02 1 289 . 33 ASP HB2 H 2.12 0.02 2 290 . 33 ASP HB3 H 1.75 0.02 2 291 . 33 ASP C C 171.83 0.1 1 292 . 33 ASP CA C 49.82 0.1 1 293 . 33 ASP CB C 42.75 0.1 1 294 . 33 ASP N N 118.71 0.1 1 295 . 34 ILE H H 9.72 0.02 1 296 . 34 ILE HA H 5.41 0.02 1 297 . 34 ILE HB H 1.31 0.02 1 298 . 34 ILE HG2 H 0.91 0.02 1 299 . 34 ILE HD1 H 0.45 0.02 1 300 . 34 ILE C C 170.37 0.1 1 301 . 34 ILE CA C 57.10 0.1 1 302 . 34 ILE CB C 39.64 0.1 1 303 . 34 ILE CG2 C 17.26 0.1 1 304 . 34 ILE N N 116.54 0.1 1 305 . 35 SER H H 9.53 0.02 1 306 . 35 SER HA H 5.10 0.02 1 307 . 35 SER HB2 H 3.98 0.02 1 308 . 35 SER HB3 H 3.98 0.02 1 309 . 35 SER C C 173.41 0.1 1 310 . 35 SER CA C 56.93 0.1 1 311 . 35 SER CB C 64.81 0.1 1 312 . 35 SER N N 127.07 0.1 1 313 . 36 SER H H 8.34 0.02 1 314 . 36 SER HA H 4.17 0.02 1 315 . 36 SER HB2 H 2.94 0.02 1 316 . 36 SER HB3 H 2.94 0.02 1 317 . 36 SER C C 171.93 0.1 1 318 . 36 SER CA C 56.27 0.1 1 319 . 36 SER CB C 61.52 0.1 1 320 . 36 SER N N 111.52 0.1 1 321 . 37 THR H H 8.87 0.02 1 322 . 37 THR HA H 4.42 0.02 1 323 . 37 THR HB H 3.98 0.02 1 324 . 37 THR HG2 H 0.99 0.02 1 325 . 37 THR C C 172.22 0.1 1 326 . 37 THR CA C 61.50 0.1 1 327 . 37 THR CB C 66.25 0.1 1 328 . 37 THR CG2 C 20.38 0.1 1 329 . 37 THR N N 118.94 0.1 1 330 . 38 TRP H H 9.25 0.02 1 331 . 38 TRP HA H 4.75 0.02 1 332 . 38 TRP HB2 H 2.54 0.02 1 333 . 38 TRP HB3 H 2.54 0.02 1 334 . 38 TRP C C 172.46 0.1 1 335 . 38 TRP CA C 52.15 0.1 1 336 . 38 TRP CB C 29.53 0.1 1 337 . 38 TRP N N 129.61 0.1 1 338 . 39 HIS H H 7.89 0.02 1 339 . 39 HIS HA H 4.44 0.02 1 340 . 39 HIS HB2 H 2.43 0.02 1 341 . 39 HIS HB3 H 2.43 0.02 1 342 . 39 HIS C C 169.88 0.1 1 343 . 39 HIS CA C 52.09 0.1 1 344 . 39 HIS CB C 30.38 0.1 1 345 . 39 HIS N N 111.02 0.1 1 346 . 40 TRP H H 8.56 0.02 1 347 . 40 TRP HA H 5.08 0.02 1 348 . 40 TRP HB2 H 3.64 0.02 2 349 . 40 TRP HB3 H 2.87 0.02 2 350 . 40 TRP C C 171.67 0.1 1 351 . 40 TRP CA C 53.85 0.1 1 352 . 40 TRP CB C 27.77 0.1 1 353 . 40 TRP N N 120.03 0.1 1 354 . 41 THR H H 8.67 0.02 1 355 . 41 THR HA H 4.42 0.02 1 356 . 41 THR HB H 3.92 0.02 1 357 . 41 THR HG2 H 0.99 0.02 1 358 . 41 THR C C 175.17 0.1 1 359 . 41 THR CA C 62.27 0.1 1 360 . 41 THR CB C 67.99 0.1 1 361 . 41 THR CG2 C 20.38 0.1 1 362 . 41 THR N N 115.31 0.1 1 363 . 42 GLY H H 9.77 0.02 1 364 . 42 GLY HA2 H 4.03 0.02 1 365 . 42 GLY HA3 H 4.03 0.02 1 366 . 42 GLY C C 173.88 0.1 1 367 . 42 GLY CA C 43.28 0.1 1 368 . 42 GLY N N 114.16 0.1 1 369 . 43 ALA H H 8.31 0.02 1 370 . 43 ALA HA H 4.32 0.02 1 371 . 43 ALA HB H 1.39 0.02 1 372 . 43 ALA C C 172.26 0.1 1 373 . 43 ALA CA C 50.72 0.1 1 374 . 43 ALA CB C 16.84 0.1 1 375 . 43 ALA N N 123.70 0.1 1 376 . 44 GLY H H 8.42 0.02 1 377 . 44 GLY HA2 H 4.10 0.02 2 378 . 44 GLY HA3 H 3.91 0.02 2 379 . 44 GLY C C 176.29 0.1 1 380 . 44 GLY CA C 43.25 0.1 1 381 . 44 GLY N N 108.16 0.1 1 382 . 45 ASN H H 8.09 0.02 1 383 . 45 ASN HA H 4.75 0.02 1 384 . 45 ASN HB2 H 2.93 0.02 2 385 . 45 ASN HB3 H 2.75 0.02 2 386 . 45 ASN C C 172.12 0.1 1 387 . 45 ASN CA C 50.98 0.1 1 388 . 45 ASN CB C 37.51 0.1 1 389 . 45 ASN N N 117.19 0.1 1 390 . 46 GLU H H 8.81 0.02 1 391 . 46 GLU HA H 3.98 0.02 1 392 . 46 GLU HB2 H 1.93 0.02 2 393 . 46 GLU HB3 H 1.87 0.02 2 394 . 46 GLU HG2 H 2.14 0.02 1 395 . 46 GLU HG3 H 2.14 0.02 1 396 . 46 GLU C C 173.36 0.1 1 397 . 46 GLU CA C 55.97 0.1 1 398 . 46 GLU CB C 27.17 0.1 1 399 . 46 GLU CG C 33.95 0.1 1 400 . 46 GLU N N 119.81 0.1 1 401 . 47 LYS H H 8.17 0.02 1 402 . 47 LYS HA H 4.19 0.02 1 403 . 47 LYS HB2 H 1.94 0.02 2 404 . 47 LYS HB3 H 1.76 0.02 2 405 . 47 LYS HG2 H 1.40 0.02 2 406 . 47 LYS HG3 H 1.33 0.02 2 407 . 47 LYS HD2 H 1.60 0.02 1 408 . 47 LYS HD3 H 1.60 0.02 1 409 . 47 LYS HE2 H 2.94 0.02 1 410 . 47 LYS HE3 H 2.94 0.02 1 411 . 47 LYS C C 174.43 0.1 1 412 . 47 LYS CA C 54.79 0.1 1 413 . 47 LYS CB C 30.57 0.1 1 414 . 47 LYS CG C 22.93 0.1 1 415 . 47 LYS CD C 26.73 0.1 1 416 . 47 LYS CE C 39.80 0.1 1 417 . 47 LYS N N 117.28 0.1 1 418 . 48 THR H H 7.49 0.02 1 419 . 48 THR HA H 4.37 0.02 1 420 . 48 THR HB H 3.99 0.02 1 421 . 48 THR HG2 H 1.05 0.02 1 422 . 48 THR C C 174.80 0.1 1 423 . 48 THR CA C 59.28 0.1 1 424 . 48 THR CB C 68.23 0.1 1 425 . 48 THR CG2 C 19.72 0.1 1 426 . 48 THR N N 113.55 0.1 1 427 . 49 GLY H H 8.64 0.02 1 428 . 49 GLY HA2 H 4.28 0.02 2 429 . 49 GLY HA3 H 3.05 0.02 2 430 . 49 GLY C C 171.67 0.1 1 431 . 49 GLY CA C 42.01 0.1 1 432 . 49 GLY N N 111.32 0.1 1 433 . 50 ILE H H 8.29 0.02 1 434 . 50 ILE HA H 4.53 0.02 1 435 . 50 ILE C C 168.12 0.1 1 436 . 50 ILE CA C 57.68 0.1 1 437 . 50 ILE CB C 37.82 0.1 1 438 . 50 ILE N N 119.88 0.1 1 439 . 51 LEU H H 8.39 0.02 1 440 . 51 LEU HA H 4.30 0.02 1 441 . 51 LEU HB2 H 1.44 0.02 2 442 . 51 LEU HB3 H 1.24 0.02 2 443 . 51 LEU HG H 1.44 0.02 2 444 . 51 LEU HD1 H 0.67 0.02 2 445 . 51 LEU C C 171.45 0.1 1 446 . 51 LEU CA C 51.06 0.1 1 447 . 51 LEU CB C 44.03 0.1 1 448 . 51 LEU CG C 24.41 0.1 1 449 . 51 LEU CD1 C 23.46 0.1 1 450 . 51 LEU N N 120.99 0.1 1 451 . 52 THR H H 8.89 0.02 1 452 . 52 THR HA H 5.22 0.02 1 453 . 52 THR HB H 3.52 0.02 1 454 . 52 THR HG2 H 1.30 0.02 1 455 . 52 THR C C 173.14 0.1 1 456 . 52 THR CA C 59.30 0.1 1 457 . 52 THR CB C 72.25 0.1 1 458 . 52 THR CG2 C 22.71 0.1 1 459 . 52 THR N N 120.58 0.1 1 460 . 53 VAL H H 8.97 0.02 1 461 . 53 VAL HA H 4.71 0.02 1 462 . 53 VAL HB H 1.65 0.02 1 463 . 53 VAL HG1 H 0.43 0.02 2 464 . 53 VAL HG2 H 0.16 0.02 2 465 . 53 VAL C C 170.60 0.1 1 466 . 53 VAL CA C 58.06 0.1 1 467 . 53 VAL CB C 31.00 0.1 1 468 . 53 VAL CG1 C 18.20 0.1 1 469 . 53 VAL CG2 C 20.37 0.1 1 470 . 53 VAL N N 127.66 0.1 1 471 . 54 THR H H 8.63 0.02 1 472 . 54 THR HA H 5.00 0.02 1 473 . 54 THR HB H 3.87 0.02 1 474 . 54 THR HG2 H 1.03 0.02 1 475 . 54 THR C C 172.93 0.1 1 476 . 54 THR CA C 56.41 0.1 1 477 . 54 THR CB C 68.61 0.1 1 478 . 54 THR CG2 C 19.60 0.1 1 479 . 54 THR N N 114.36 0.1 1 480 . 55 TYR H H 7.26 0.02 1 481 . 55 TYR HA H 4.61 0.02 1 482 . 55 TYR HB2 H 3.55 0.02 1 483 . 55 TYR HB3 H 3.55 0.02 1 484 . 55 TYR C C 171.06 0.1 1 485 . 55 TYR CA C 55.21 0.1 1 486 . 55 TYR CB C 40.88 0.1 1 487 . 55 TYR N N 113.74 0.1 1 488 . 56 HIS H H 9.34 0.02 1 489 . 56 HIS HA H 4.42 0.02 1 490 . 56 HIS HB2 H 3.08 0.02 2 491 . 56 HIS HB3 H 2.81 0.02 2 492 . 56 HIS C C 173.18 0.1 1 493 . 56 HIS CA C 56.49 0.1 1 494 . 56 HIS CB C 29.81 0.1 1 495 . 56 HIS N N 118.21 0.1 1 496 . 57 SER H H 7.34 0.02 1 497 . 57 SER C C 173.49 0.1 1 498 . 57 SER CA C 54.41 0.1 1 499 . 57 SER N N 105.78 0.1 1 500 . 59 THR HA H 3.91 0.02 1 501 . 59 THR HB H 4.07 0.02 1 502 . 59 THR HG2 H 1.20 0.02 1 503 . 59 THR CA C 64.19 0.1 1 504 . 59 THR CB C 66.34 0.1 1 505 . 59 THR CG2 C 18.99 0.1 1 506 . 60 GLN H H 8.02 0.02 1 507 . 60 GLN HA H 4.06 0.02 1 508 . 60 GLN HB2 H 2.09 0.02 1 509 . 60 GLN HB3 H 2.09 0.02 1 510 . 60 GLN HG2 H 3.26 0.02 1 511 . 60 GLN HG3 H 3.26 0.02 1 512 . 60 GLN C C 174.20 0.1 1 513 . 60 GLN CA C 56.90 0.1 1 514 . 60 GLN CB C 27.27 0.1 1 515 . 60 GLN CG C 41.55 0.1 1 516 . 60 GLN N N 123.81 0.1 1 517 . 61 ARG H H 7.31 0.02 1 518 . 61 ARG HA H 2.99 0.02 1 519 . 61 ARG HB2 H 1.70 0.02 1 520 . 61 ARG HB3 H 1.70 0.02 1 521 . 61 ARG C C 175.22 0.1 1 522 . 61 ARG CA C 57.25 0.1 1 523 . 61 ARG CB C 27.77 0.1 1 524 . 61 ARG N N 119.25 0.1 1 525 . 62 THR H H 8.47 0.02 1 526 . 62 THR HA H 3.71 0.02 1 527 . 62 THR HB H 4.21 0.02 1 528 . 62 THR HG2 H 1.16 0.02 1 529 . 62 THR C C 174.94 0.1 1 530 . 62 THR CA C 64.67 0.1 1 531 . 62 THR CB C 66.46 0.1 1 532 . 62 THR CG2 C 19.65 0.1 1 533 . 62 THR N N 117.57 0.1 1 534 . 63 LYS H H 7.88 0.02 1 535 . 63 LYS HA H 4.05 0.02 1 536 . 63 LYS HB2 H 1.90 0.02 1 537 . 63 LYS HB3 H 1.90 0.02 1 538 . 63 LYS HG2 H 1.29 0.02 1 539 . 63 LYS HG3 H 1.29 0.02 1 540 . 63 LYS HD2 H 1.59 0.02 1 541 . 63 LYS HD3 H 1.59 0.02 1 542 . 63 LYS HE2 H 2.84 0.02 2 543 . 63 LYS HE3 H 2.79 0.02 2 544 . 63 LYS C C 173.47 0.1 1 545 . 63 LYS CA C 57.28 0.1 1 546 . 63 LYS CB C 29.34 0.1 1 547 . 63 LYS CG C 22.63 0.1 1 548 . 63 LYS CD C 26.76 0.1 1 549 . 63 LYS CE C 39.80 0.1 1 550 . 63 LYS N N 121.56 0.1 1 551 . 64 PHE H H 8.68 0.02 1 552 . 64 PHE HA H 3.94 0.02 1 553 . 64 PHE HB2 H 3.75 0.02 1 554 . 64 PHE HB3 H 3.75 0.02 1 555 . 64 PHE C C 177.53 0.1 1 556 . 64 PHE CA C 59.77 0.1 1 557 . 64 PHE CB C 35.86 0.1 1 558 . 64 PHE N N 122.19 0.1 1 559 . 65 LEU H H 8.46 0.02 1 560 . 65 LEU HA H 4.03 0.02 1 561 . 65 LEU HB2 H 1.92 0.02 2 562 . 65 LEU HB3 H 1.33 0.02 2 563 . 65 LEU HD1 H 0.67 0.02 2 564 . 65 LEU HD2 H 0.48 0.02 2 565 . 65 LEU C C 174.91 0.1 1 566 . 65 LEU CA C 54.86 0.1 1 567 . 65 LEU CB C 39.32 0.1 1 568 . 65 LEU CD1 C 19.30 0.1 1 569 . 65 LEU CD2 C 22.91 0.1 1 570 . 65 LEU N N 118.84 0.1 1 571 . 66 ASN H H 7.89 0.02 1 572 . 66 ASN HA H 4.72 0.02 1 573 . 66 ASN HB2 H 2.84 0.02 2 574 . 66 ASN HB3 H 2.76 0.02 2 575 . 66 ASN C C 176.34 0.1 1 576 . 66 ASN CA C 51.67 0.1 1 577 . 66 ASN CB C 37.26 0.1 1 578 . 66 ASN N N 114.93 0.1 1 579 . 67 THR H H 7.52 0.02 1 580 . 67 THR HA H 4.25 0.02 1 581 . 67 THR HB H 3.74 0.02 1 582 . 67 THR HG2 H 0.96 0.02 1 583 . 67 THR C C 173.66 0.1 1 584 . 67 THR CA C 61.85 0.1 1 585 . 67 THR CB C 68.91 0.1 1 586 . 67 THR CG2 C 18.92 0.1 1 587 . 67 THR N N 112.40 0.1 1 588 . 68 VAL H H 7.73 0.02 1 589 . 68 VAL HA H 3.39 0.02 1 590 . 68 VAL HB H 1.05 0.02 1 591 . 68 VAL HG1 H 0.16 0.02 2 592 . 68 VAL C C 171.61 0.1 1 593 . 68 VAL CA C 60.07 0.1 1 594 . 68 VAL CB C 29.25 0.1 1 595 . 68 VAL CG1 C 18.45 0.1 1 596 . 68 VAL CG2 C 17.60 0.1 1 597 . 68 VAL N N 122.00 0.1 1 598 . 69 ALA H H 8.12 0.02 1 599 . 69 ALA HA H 4.23 0.02 1 600 . 69 ALA HB H 1.19 0.02 1 601 . 69 ALA C C 172.02 0.1 1 602 . 69 ALA CA C 49.53 0.1 1 603 . 69 ALA CB C 15.99 0.1 1 604 . 69 ALA N N 129.17 0.1 1 605 . 70 ILE H H 8.40 0.02 1 606 . 70 ILE C C 174.04 0.1 1 607 . 70 ILE CA C 54.26 0.1 1 608 . 70 ILE N N 125.89 0.1 1 609 . 71 PRO HA H 4.43 0.02 1 610 . 71 PRO HB2 H 2.43 0.02 2 611 . 71 PRO HB3 H 1.92 0.02 2 612 . 71 PRO HG2 H 3.83 0.02 2 613 . 71 PRO HG3 H 3.35 0.02 2 614 . 71 PRO CA C 60.85 0.1 1 615 . 71 PRO CB C 30.38 0.1 1 616 . 71 PRO CG C 25.23 0.1 1 617 . 72 ASP H H 8.56 0.02 1 618 . 72 ASP HA H 4.19 0.02 1 619 . 72 ASP HB2 H 2.65 0.02 1 620 . 72 ASP HB3 H 2.65 0.02 1 621 . 72 ASP C C 174.61 0.1 1 622 . 72 ASP CA C 53.85 0.1 1 623 . 72 ASP CB C 38.07 0.1 1 624 . 72 ASP N N 120.03 0.1 1 625 . 73 SER H H 7.48 0.02 1 626 . 73 SER HA H 4.26 0.02 1 627 . 73 SER HB2 H 4.07 0.02 2 628 . 73 SER HB3 H 3.83 0.02 2 629 . 73 SER C C 173.98 0.1 1 630 . 73 SER CA C 55.90 0.1 1 631 . 73 SER CB C 60.58 0.1 1 632 . 73 SER N N 109.69 0.1 1 633 . 74 VAL H H 7.83 0.02 1 634 . 74 VAL HA H 4.45 0.02 1 635 . 74 VAL HB H 1.99 0.02 1 636 . 74 VAL HG1 H 0.66 0.02 2 637 . 74 VAL HG2 H 0.62 0.02 2 638 . 74 VAL C C 171.92 0.1 1 639 . 74 VAL CA C 59.08 0.1 1 640 . 74 VAL CB C 30.98 0.1 1 641 . 74 VAL CG1 C 20.02 0.1 1 642 . 74 VAL CG2 C 20.02 0.1 1 643 . 74 VAL N N 125.42 0.1 1 644 . 75 GLN H H 8.94 0.02 1 645 . 75 GLN HA H 4.45 0.02 1 646 . 75 GLN HB2 H 2.03 0.02 2 647 . 75 GLN HB3 H 1.90 0.02 2 648 . 75 GLN HG2 H 2.43 0.02 2 649 . 75 GLN HG3 H 2.23 0.02 2 650 . 75 GLN C C 172.04 0.1 1 651 . 75 GLN CA C 53.00 0.1 1 652 . 75 GLN CB C 28.74 0.1 1 653 . 75 GLN CG C 32.19 0.1 1 654 . 75 GLN N N 125.65 0.1 1 655 . 76 ILE H H 8.83 0.02 1 656 . 76 ILE HA H 4.63 0.02 1 657 . 76 ILE HB H 1.88 0.02 1 658 . 76 ILE HG2 H 0.67 0.02 1 659 . 76 ILE C C 172.76 0.1 1 660 . 76 ILE CA C 58.71 0.1 1 661 . 76 ILE CB C 37.76 0.1 1 662 . 76 ILE CG2 C 15.81 0.1 1 663 . 76 ILE N N 122.43 0.1 1 664 . 77 LEU H H 9.07 0.02 1 665 . 77 LEU HA H 5.04 0.02 1 666 . 77 LEU HB2 H 1.65 0.02 2 667 . 77 LEU HB3 H 1.30 0.02 2 668 . 77 LEU HG H 1.43 0.02 1 669 . 77 LEU HD1 H 0.74 0.02 2 670 . 77 LEU HD2 H 0.60 0.02 2 671 . 77 LEU C C 172.98 0.1 1 672 . 77 LEU CA C 51.54 0.1 1 673 . 77 LEU CB C 41.98 0.1 1 674 . 77 LEU CG C 25.94 0.1 1 675 . 77 LEU CD1 C 22.69 0.1 1 676 . 77 LEU CD2 C 22.12 0.1 1 677 . 77 LEU N N 128.16 0.1 1 678 . 78 VAL H H 8.87 0.02 1 679 . 78 VAL HA H 4.38 0.02 1 680 . 78 VAL HB H 1.55 0.02 1 681 . 78 VAL HG1 H 0.71 0.02 1 682 . 78 VAL HG2 H 0.71 0.02 1 683 . 78 VAL C C 173.14 0.1 1 684 . 78 VAL CA C 58.45 0.1 1 685 . 78 VAL CB C 32.33 0.1 1 686 . 78 VAL CG1 C 19.09 0.1 1 687 . 78 VAL CG2 C 19.09 0.1 1 688 . 78 VAL N N 121.05 0.1 1 689 . 79 GLY H H 7.86 0.02 1 690 . 79 GLY HA2 H 5.08 0.02 2 691 . 79 GLY HA3 H 4.08 0.02 2 692 . 79 GLY C C 172.86 0.1 1 693 . 79 GLY CA C 44.62 0.1 1 694 . 79 GLY N N 111.73 0.1 1 695 . 80 TYR H H 8.54 0.02 1 696 . 80 TYR HA H 5.37 0.02 1 697 . 80 TYR HB2 H 2.99 0.02 2 698 . 80 TYR HB3 H 2.61 0.02 2 699 . 80 TYR C C 169.75 0.1 1 700 . 80 TYR CA C 54.23 0.1 1 701 . 80 TYR CB C 40.30 0.1 1 702 . 80 TYR N N 119.24 0.1 1 703 . 81 MET H H 8.60 0.02 1 704 . 81 MET HA H 5.35 0.02 1 705 . 81 MET HB2 H 1.94 0.02 1 706 . 81 MET HB3 H 1.94 0.02 1 707 . 81 MET HG2 H 2.55 0.02 2 708 . 81 MET HG3 H 2.50 0.02 2 709 . 81 MET C C 171.31 0.1 1 710 . 81 MET CA C 51.86 0.1 1 711 . 81 MET CB C 34.66 0.1 1 712 . 81 MET CG C 29.09 0.1 1 713 . 81 MET N N 117.15 0.1 1 714 . 82 THR H H 8.53 0.02 1 715 . 82 THR HA H 4.98 0.02 1 716 . 82 THR HB H 3.51 0.02 1 717 . 82 THR HG2 H 1.06 0.02 1 718 . 82 THR C C 172.03 0.1 1 719 . 82 THR CA C 59.38 0.1 1 720 . 82 THR CB C 68.52 0.1 1 721 . 82 THR CG2 C 19.60 0.1 1 722 . 82 THR N N 122.12 0.1 1 723 . 83 MET H H 8.25 0.02 1 724 . 83 MET HA H 5.19 0.02 1 725 . 83 MET C C 170.95 0.1 1 726 . 83 MET CA C 51.06 0.1 1 727 . 83 MET CB C 33.27 0.1 1 728 . 83 MET N N 122.01 0.1 1 729 . 84 HIS H H 8.90 0.02 1 730 . 84 HIS C C 173.02 0.1 1 731 . 84 HIS CA C 53.04 0.1 1 732 . 84 HIS N N 118.65 0.1 1 stop_ save_