data_50336 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; yarp ; _BMRB_accession_number 50336 _BMRB_flat_file_name bmr50336.str _Entry_type original _Submission_date 2020-06-22 _Accession_date 2020-06-22 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'fragment 2149-2209 of the YARP protein' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bucholc Katarzyna . . 2 Skrajna Aleksandra . . 3 Adamska Kinga . . 4 Yang Xiao-Cui . . 5 Krajewski Krzysztof . . 6 Poznanski Jaroslaw . . 7 Dadlez Michal . . 8 Dominski Zbigniew . . 9 Zhukov Igor . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 386 "13C chemical shifts" 273 "15N chemical shifts" 69 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-08-25 original BMRB . stop_ _Original_release_date 2020-06-22 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Analysis of the SANT/Myb Domain of FLASH and YARP Proteins and Their Complex with the C-Terminal Fragment of NPAT by NMR Spectroscopy and Computer Simulations ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32722282 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bucholc Katarzyna . . 2 Skrajna Aleksandra . . 3 Adamska Kinga . . 4 Yang Xiao-Cui . . 5 Krajewski Krzysztof . . 6 Poznanski Jaroslaw . . 7 Dadlez Michal . . 8 Dominski Zbigniew . . 9 Zhukov Igor . . stop_ _Journal_abbreviation 'Int. J. Mol. Sci.' _Journal_name_full 'International journal of molecular sciences' _Journal_volume 21 _Journal_issue 15 _Journal_ISSN 1422-0067 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5268 _Page_last 5268 _Year 2020 _Details . loop_ _Keyword 'Histone locus body; SANT domain; Myb DNA binding; NMR spectroscopy' stop_ save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name yarp _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label yarp $entity_1 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 entity_1 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Has transcriptional repressor activity' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 61 _Mol_residue_sequence ; GEKVVLWTREADRVILTMCQ EQGAQPQTFNIISQQLGNKT PAEVSHRFRELMQLFHTACE A ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2149 GLY 2 2150 GLU 3 2151 LYS 4 2152 VAL 5 2153 VAL 6 2154 LEU 7 2155 TRP 8 2156 THR 9 2157 ARG 10 2158 GLU 11 2159 ALA 12 2160 ASP 13 2161 ARG 14 2162 VAL 15 2163 ILE 16 2164 LEU 17 2165 THR 18 2166 MET 19 2167 CYS 20 2168 GLN 21 2169 GLU 22 2170 GLN 23 2171 GLY 24 2172 ALA 25 2173 GLN 26 2174 PRO 27 2175 GLN 28 2176 THR 29 2177 PHE 30 2178 ASN 31 2179 ILE 32 2180 ILE 33 2181 SER 34 2182 GLN 35 2183 GLN 36 2184 LEU 37 2185 GLY 38 2186 ASN 39 2187 LYS 40 2188 THR 41 2189 PRO 42 2190 ALA 43 2191 GLU 44 2192 VAL 45 2193 SER 46 2194 HIS 47 2195 ARG 48 2196 PHE 49 2197 ARG 50 2198 GLU 51 2199 LEU 52 2200 MET 53 2201 GLN 54 2202 LEU 55 2203 PHE 56 2204 HIS 57 2205 THR 58 2206 ALA 59 2207 CYS 60 2208 GLU 61 2209 ALA 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 UNP Q3T8J9 'GON-4-like protein' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source_1 _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_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli . plasmid pET28a 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 0.3 mM '[U-99% 13C; U-99% 15N]' $entity_1 0.3 mM '[U-99% 15N]' TRIS-d11 25 mM 'natural abundance' KCl 250 mM 'natural abundance' Arg+Glu 50 mM 'natural abundance' TCEP 40 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRPipe _Version . loop_ _Task processing stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRFAM-SPARKY _Version . loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CYANA _Version . loop_ _Task 'structure solution' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name YASARA _Version . loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model 'Uniform NMR System' _Field_strength 800 _Details '1H/13C/15N probehead, z-gradient Performa IV unit' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _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_HCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '25 mM TRIS-d11, 90%/10% H2O/D2O, 250 mM KCl, 50 mM Arg+Glu, 40 mM TCEP, pH 6.2' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 250 20 mM pH 6.2 0.1 pH pressure 1 . atm temperature 298 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.0 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 external direct . . . 1 DSS N 15 'methyl protons' ppm 0.0 external 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_2 stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name yarp _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 2149 1 GLY H H 8.48 0.02 1 2 2149 1 GLY HA2 H 3.96 0.02 2 3 2149 1 GLY HA3 H 3.96 0.02 2 4 2149 1 GLY C C 174.04 0.20 1 5 2149 1 GLY CA C 45.36 0.20 1 6 2149 1 GLY N N 110.47 0.20 1 7 2150 2 GLU H H 8.19 0.02 1 8 2150 2 GLU HA H 4.29 0.02 1 9 2150 2 GLU HB2 H 2.00 0.02 2 10 2150 2 GLU HB3 H 2.02 0.02 2 11 2150 2 GLU HG2 H 2.25 0.02 2 12 2150 2 GLU HG3 H 2.25 0.02 2 13 2150 2 GLU C C 176.33 0.20 1 14 2150 2 GLU CA C 56.41 0.20 1 15 2150 2 GLU CB C 30.46 0.20 1 16 2150 2 GLU CG C 36.23 0.20 1 17 2150 2 GLU N N 120.65 0.20 1 18 2151 3 LYS H H 8.34 0.02 1 19 2151 3 LYS HA H 4.30 0.02 1 20 2151 3 LYS HB2 H 1.74 0.02 2 21 2151 3 LYS HB3 H 1.75 0.02 2 22 2151 3 LYS HG2 H 1.36 0.02 2 23 2151 3 LYS HG3 H 1.41 0.02 2 24 2151 3 LYS HD2 H 1.65 0.02 2 25 2151 3 LYS HD3 H 1.65 0.02 2 26 2151 3 LYS HE2 H 2.96 0.02 2 27 2151 3 LYS HE3 H 2.96 0.02 2 28 2151 3 LYS C C 176.17 0.20 1 29 2151 3 LYS CA C 56.35 0.20 1 30 2151 3 LYS CB C 33.02 0.20 1 31 2151 3 LYS CG C 24.81 0.20 1 32 2151 3 LYS CD C 29.08 0.20 1 33 2151 3 LYS CE C 42.14 0.20 1 34 2151 3 LYS N N 122.51 0.20 1 35 2152 4 VAL H H 8.16 0.02 1 36 2152 4 VAL HA H 4.06 0.02 1 37 2152 4 VAL HB H 1.96 0.02 1 38 2152 4 VAL HG1 H 0.84 0.02 2 39 2152 4 VAL HG2 H 0.86 0.02 2 40 2152 4 VAL C C 175.66 0.20 1 41 2152 4 VAL CA C 62.13 0.20 1 42 2152 4 VAL CB C 32.83 0.20 1 43 2152 4 VAL CG1 C 20.94 0.20 1 44 2152 4 VAL CG2 C 21.02 0.20 1 45 2152 4 VAL N N 122.87 0.20 1 46 2153 5 VAL H H 8.31 0.02 1 47 2153 5 VAL HA H 4.02 0.02 1 48 2153 5 VAL HB H 1.96 0.02 1 49 2153 5 VAL HG1 H 0.74 0.02 2 50 2153 5 VAL HG2 H 0.86 0.02 2 51 2153 5 VAL C C 175.30 0.20 1 52 2153 5 VAL CA C 61.96 0.20 1 53 2153 5 VAL CB C 32.78 0.20 1 54 2153 5 VAL CG1 C 20.91 0.20 1 55 2153 5 VAL CG2 C 21.35 0.20 1 56 2153 5 VAL N N 126.17 0.20 1 57 2154 6 LEU H H 8.32 0.02 1 58 2154 6 LEU HA H 4.25 0.02 1 59 2154 6 LEU HB2 H 1.35 0.02 2 60 2154 6 LEU HB3 H 1.57 0.02 2 61 2154 6 LEU HG H 0.86 0.02 1 62 2154 6 LEU HD1 H 0.81 0.02 2 63 2154 6 LEU HD2 H 0.84 0.02 2 64 2154 6 LEU C C 176.73 0.20 1 65 2154 6 LEU CA C 55.38 0.20 1 66 2154 6 LEU CB C 43.00 0.20 1 67 2154 6 LEU CG C 24.78 0.20 1 68 2154 6 LEU CD1 C 23.67 0.20 1 69 2154 6 LEU CD2 C 24.65 0.20 1 70 2154 6 LEU N N 127.15 0.20 1 71 2155 7 TRP H H 8.22 0.02 1 72 2155 7 TRP HA H 4.77 0.02 1 73 2155 7 TRP HB2 H 2.89 0.02 2 74 2155 7 TRP HB3 H 3.44 0.02 2 75 2155 7 TRP HD1 H 7.22 0.02 1 76 2155 7 TRP HE1 H 10.09 0.02 1 77 2155 7 TRP HE3 H 7.14 0.02 1 78 2155 7 TRP HZ2 H 7.34 0.02 1 79 2155 7 TRP HZ3 H 7.34 0.02 1 80 2155 7 TRP HH2 H 6.62 0.02 1 81 2155 7 TRP C C 176.35 0.20 1 82 2155 7 TRP CA C 55.85 0.20 1 83 2155 7 TRP CB C 31.03 0.20 1 84 2155 7 TRP CD1 C 127.39 0.20 1 85 2155 7 TRP CE3 C 119.92 0.20 1 86 2155 7 TRP CZ2 C 115.20 0.20 1 87 2155 7 TRP CZ3 C 121.62 0.20 1 88 2155 7 TRP CH2 C 122.12 0.20 1 89 2155 7 TRP N N 122.11 0.20 1 90 2155 7 TRP NE1 N 128.68 0.20 1 91 2156 8 THR H H 8.10 0.02 1 92 2156 8 THR HA H 4.53 0.02 1 93 2156 8 THR HB H 4.83 0.02 1 94 2156 8 THR HG1 H 4.53 0.02 1 95 2156 8 THR HG2 H 1.32 0.02 1 96 2156 8 THR C C 174.78 0.20 1 97 2156 8 THR CA C 60.12 0.20 1 98 2156 8 THR CB C 71.25 0.20 1 99 2156 8 THR CG2 C 22.05 0.20 1 100 2156 8 THR N N 114.80 0.20 1 101 2157 9 ARG H H 8.91 0.02 1 102 2157 9 ARG HA H 4.14 0.02 1 103 2157 9 ARG HB2 H 1.90 0.02 2 104 2157 9 ARG HB3 H 1.94 0.02 2 105 2157 9 ARG HG2 H 1.78 0.02 2 106 2157 9 ARG HG3 H 1.78 0.02 2 107 2157 9 ARG HD2 H 3.27 0.02 2 108 2157 9 ARG HD3 H 3.29 0.02 2 109 2157 9 ARG HE H 3.26 0.02 1 110 2157 9 ARG C C 179.46 0.20 1 111 2157 9 ARG CA C 59.17 0.20 1 112 2157 9 ARG CB C 30.00 0.20 1 113 2157 9 ARG CG C 27.30 0.20 1 114 2157 9 ARG CD C 43.38 0.20 1 115 2157 9 ARG N N 121.24 0.20 1 116 2158 10 GLU H H 8.60 0.02 1 117 2158 10 GLU HA H 4.11 0.02 1 118 2158 10 GLU HB2 H 2.10 0.02 2 119 2158 10 GLU HB3 H 2.39 0.02 2 120 2158 10 GLU HG2 H 2.25 0.02 2 121 2158 10 GLU HG3 H 2.42 0.02 2 122 2158 10 GLU C C 178.21 0.20 1 123 2158 10 GLU CA C 59.71 0.20 1 124 2158 10 GLU CB C 29.31 0.20 1 125 2158 10 GLU CG C 36.41 0.20 1 126 2158 10 GLU N N 118.50 0.20 1 127 2159 11 ALA H H 8.00 0.02 1 128 2159 11 ALA HA H 4.13 0.02 1 129 2159 11 ALA HB H 1.81 0.02 1 130 2159 11 ALA C C 176.22 0.20 1 131 2159 11 ALA CA C 55.55 0.20 1 132 2159 11 ALA CB C 19.24 0.20 1 133 2159 11 ALA N N 123.73 0.20 1 134 2160 12 ASP H H 8.10 0.02 1 135 2160 12 ASP HA H 4.32 0.02 1 136 2160 12 ASP HB2 H 2.38 0.02 2 137 2160 12 ASP HB3 H 2.75 0.02 2 138 2160 12 ASP C C 178.48 0.20 1 139 2160 12 ASP CA C 57.45 0.20 1 140 2160 12 ASP CB C 40.50 0.20 1 141 2160 12 ASP N N 118.14 0.20 1 142 2161 13 ARG H H 8.00 0.02 1 143 2161 13 ARG HA H 4.08 0.02 1 144 2161 13 ARG HB2 H 1.96 0.02 2 145 2161 13 ARG HB3 H 2.04 0.02 2 146 2161 13 ARG HG2 H 1.64 0.02 2 147 2161 13 ARG HG3 H 1.68 0.02 2 148 2161 13 ARG HD2 H 3.20 0.02 2 149 2161 13 ARG HD3 H 3.21 0.02 2 150 2161 13 ARG HE H 4.07 0.02 1 151 2161 13 ARG C C 179.91 0.20 1 152 2161 13 ARG CA C 59.59 0.20 1 153 2161 13 ARG CB C 29.84 0.20 1 154 2161 13 ARG CG C 27.13 0.20 1 155 2161 13 ARG CD C 43.39 0.20 1 156 2161 13 ARG N N 118.57 0.20 1 157 2162 14 VAL H H 8.10 0.02 1 158 2162 14 VAL HA H 3.61 0.02 1 159 2162 14 VAL HB H 2.43 0.02 1 160 2162 14 VAL HG1 H 0.96 0.02 2 161 2162 14 VAL HG2 H 1.12 0.02 2 162 2162 14 VAL C C 177.68 0.20 1 163 2162 14 VAL CA C 67.21 0.20 1 164 2162 14 VAL CB C 31.65 0.20 1 165 2162 14 VAL CG1 C 21.85 0.20 1 166 2162 14 VAL CG2 C 22.91 0.20 1 167 2162 14 VAL N N 123.25 0.20 1 168 2163 15 ILE H H 8.17 0.02 1 169 2163 15 ILE HA H 3.62 0.02 1 170 2163 15 ILE HB H 2.11 0.02 1 171 2163 15 ILE HG12 H 0.98 0.02 2 172 2163 15 ILE HG13 H 2.22 0.02 2 173 2163 15 ILE HG2 H 0.77 0.02 1 174 2163 15 ILE HD1 H 0.77 0.02 1 175 2163 15 ILE C C 178.09 0.20 1 176 2163 15 ILE CA C 66.15 0.20 1 177 2163 15 ILE CB C 38.44 0.20 1 178 2163 15 ILE CG1 C 29.98 0.20 1 179 2163 15 ILE CG2 C 14.74 0.20 1 180 2163 15 ILE CD1 C 14.74 0.20 1 181 2163 15 ILE N N 118.35 0.20 1 182 2164 16 LEU H H 8.48 0.02 1 183 2164 16 LEU HA H 4.05 0.02 1 184 2164 16 LEU HB2 H 1.86 0.02 2 185 2164 16 LEU HB3 H 1.51 0.02 2 186 2164 16 LEU HG H 1.86 0.02 1 187 2164 16 LEU HD1 H 0.84 0.02 2 188 2164 16 LEU HD2 H 0.85 0.02 2 189 2164 16 LEU C C 180.25 0.20 1 190 2164 16 LEU CA C 58.53 0.20 1 191 2164 16 LEU CB C 41.96 0.20 1 192 2164 16 LEU CG C 26.71 0.20 1 193 2164 16 LEU CD1 C 22.97 0.20 1 194 2164 16 LEU CD2 C 25.39 0.20 1 195 2164 16 LEU N N 117.57 0.20 1 196 2165 17 THR H H 8.58 0.02 1 197 2165 17 THR HA H 3.98 0.02 1 198 2165 17 THR HB H 4.20 0.02 1 199 2165 17 THR HG1 H 3.64 0.02 1 200 2165 17 THR HG2 H 1.26 0.02 1 201 2165 17 THR C C 174.49 0.20 1 202 2165 17 THR CA C 66.46 0.20 1 203 2165 17 THR CB C 69.14 0.20 1 204 2165 17 THR CG2 C 21.49 0.20 1 205 2165 17 THR N N 114.21 0.20 1 206 2166 18 MET H H 8.59 0.02 1 207 2166 18 MET HA H 4.28 0.02 1 208 2166 18 MET HB2 H 1.63 0.02 2 209 2166 18 MET HB3 H 2.18 0.02 2 210 2166 18 MET HG2 H 2.55 0.02 2 211 2166 18 MET HG3 H 2.78 0.02 2 212 2166 18 MET HE H 0.96 0.02 1 213 2166 18 MET C C 179.31 0.20 1 214 2166 18 MET CA C 59.26 0.20 1 215 2166 18 MET CB C 31.63 0.20 1 216 2166 18 MET CG C 33.73 0.20 1 217 2166 18 MET CE C 21.93 0.20 1 218 2166 18 MET N N 120.41 0.20 1 219 2167 19 CYS H H 8.22 0.02 1 220 2167 19 CYS HA H 3.91 0.02 1 221 2167 19 CYS HB2 H 2.08 0.02 2 222 2167 19 CYS HB3 H 2.87 0.02 2 223 2167 19 CYS HG H 2.87 0.02 1 224 2167 19 CYS C C 177.59 0.20 1 225 2167 19 CYS CA C 63.78 0.20 1 226 2167 19 CYS CB C 27.25 0.20 1 227 2167 19 CYS N N 115.84 0.20 1 228 2168 20 GLN H H 7.91 0.02 1 229 2168 20 GLN HA H 4.09 0.02 1 230 2168 20 GLN HB2 H 2.23 0.02 2 231 2168 20 GLN HB3 H 2.25 0.02 2 232 2168 20 GLN HG2 H 2.41 0.02 2 233 2168 20 GLN HG3 H 2.50 0.02 2 234 2168 20 GLN HE21 H 7.29 0.02 2 235 2168 20 GLN HE22 H 7.29 0.02 2 236 2168 20 GLN C C 177.53 0.20 1 237 2168 20 GLN CA C 59.04 0.20 1 238 2168 20 GLN CB C 28.48 0.20 1 239 2168 20 GLN CG C 34.04 0.20 1 240 2168 20 GLN N N 120.26 0.20 1 241 2168 20 GLN NE2 N 119.00 0.20 1 242 2169 21 GLU H H 7.90 0.02 1 243 2169 21 GLU HA H 4.12 0.02 1 244 2169 21 GLU HB2 H 2.11 0.02 2 245 2169 21 GLU HB3 H 2.12 0.02 2 246 2169 21 GLU HG2 H 2.50 0.02 2 247 2169 21 GLU HG3 H 2.50 0.02 2 248 2169 21 GLU C C 178.32 0.20 1 249 2169 21 GLU CA C 58.99 0.20 1 250 2169 21 GLU CB C 30.82 0.20 1 251 2169 21 GLU CG C 36.36 0.20 1 252 2169 21 GLU N N 116.89 0.20 1 253 2170 22 GLN H H 8.38 0.02 1 254 2170 22 GLN HA H 4.49 0.02 1 255 2170 22 GLN HB2 H 1.88 0.02 2 256 2170 22 GLN HB3 H 2.34 0.02 2 257 2170 22 GLN HG2 H 2.34 0.02 2 258 2170 22 GLN HG3 H 2.34 0.02 2 259 2170 22 GLN HE21 H 7.34 0.02 2 260 2170 22 GLN HE22 H 7.34 0.02 2 261 2170 22 GLN C C 176.41 0.20 1 262 2170 22 GLN CA C 55.91 0.20 1 263 2170 22 GLN CB C 30.42 0.20 1 264 2170 22 GLN CG C 34.04 0.20 1 265 2170 22 GLN N N 113.66 0.20 1 266 2170 22 GLN NE2 N 109.36 0.20 1 267 2171 23 GLY H H 7.34 0.02 1 268 2171 23 GLY HA2 H 4.27 0.02 2 269 2171 23 GLY HA3 H 3.68 0.02 2 270 2171 23 GLY C C 173.33 0.20 1 271 2171 23 GLY CA C 44.43 0.20 1 272 2171 23 GLY N N 109.36 0.20 1 273 2172 24 ALA H H 8.47 0.02 1 274 2172 24 ALA HA H 3.88 0.02 1 275 2172 24 ALA HB H 0.90 0.02 1 276 2172 24 ALA C C 174.43 0.20 1 277 2172 24 ALA CA C 50.82 0.20 1 278 2172 24 ALA CB C 17.64 0.20 1 279 2172 24 ALA N N 126.94 0.20 1 280 2173 25 GLN H H 6.44 0.02 1 281 2173 25 GLN HA H 4.65 0.02 1 282 2173 25 GLN HB2 H 1.80 0.02 2 283 2173 25 GLN HB3 H 2.20 0.02 2 284 2173 25 GLN HG2 H 2.10 0.02 2 285 2173 25 GLN HG3 H 2.11 0.02 2 286 2173 25 GLN HE21 H 7.48 0.02 2 287 2173 25 GLN HE22 H 7.48 0.02 2 288 2173 25 GLN CA C 52.50 0.20 1 289 2173 25 GLN CB C 28.74 0.20 1 290 2173 25 GLN CG C 32.39 0.20 1 291 2173 25 GLN N N 119.73 0.20 1 292 2173 25 GLN NE2 N 116.47 0.20 1 293 2174 26 PRO HA H 4.27 0.02 1 294 2174 26 PRO HB2 H 1.96 0.02 2 295 2174 26 PRO HB3 H 2.26 0.02 2 296 2174 26 PRO HG2 H 2.01 0.02 2 297 2174 26 PRO HG3 H 2.02 0.02 2 298 2174 26 PRO HD2 H 3.85 0.02 2 299 2174 26 PRO HD3 H 3.63 0.02 2 300 2174 26 PRO C C 178.31 0.20 1 301 2174 26 PRO CA C 66.93 0.20 1 302 2174 26 PRO CB C 32.13 0.20 1 303 2174 26 PRO CG C 27.59 0.20 1 304 2174 26 PRO CD C 51.09 0.20 1 305 2175 27 GLN H H 9.01 0.02 1 306 2175 27 GLN HA H 4.15 0.02 1 307 2175 27 GLN HB2 H 2.08 0.02 2 308 2175 27 GLN HB3 H 2.10 0.02 2 309 2175 27 GLN HG2 H 2.40 0.02 2 310 2175 27 GLN HG3 H 2.41 0.02 2 311 2175 27 GLN HE21 H 7.57 0.02 2 312 2175 27 GLN HE22 H 8.21 0.02 2 313 2175 27 GLN C C 178.05 0.20 1 314 2175 27 GLN CA C 59.17 0.20 1 315 2175 27 GLN CB C 30.80 0.20 1 316 2175 27 GLN CG C 33.76 0.20 1 317 2175 27 GLN N N 116.22 0.20 1 318 2175 27 GLN NE2 N 118.29 0.20 1 319 2176 28 THR H H 7.29 0.02 1 320 2176 28 THR HA H 3.85 0.02 1 321 2176 28 THR HB H 3.87 0.02 1 322 2176 28 THR HG1 H 6.44 0.02 1 323 2176 28 THR HG2 H 1.01 0.02 1 324 2176 28 THR C C 176.31 0.20 1 325 2176 28 THR CA C 65.16 0.20 1 326 2176 28 THR CB C 68.40 0.20 1 327 2176 28 THR CG2 C 24.23 0.20 1 328 2176 28 THR N N 116.64 0.20 1 329 2177 29 PHE H H 7.55 0.02 1 330 2177 29 PHE HA H 3.87 0.02 1 331 2177 29 PHE HB2 H 3.13 0.02 2 332 2177 29 PHE HB3 H 3.34 0.02 2 333 2177 29 PHE HD1 H 6.95 0.02 1 334 2177 29 PHE HD2 H 6.96 0.02 1 335 2177 29 PHE HE1 H 6.95 0.02 1 336 2177 29 PHE HE2 H 6.96 0.02 1 337 2177 29 PHE HZ H 6.96 0.02 1 338 2177 29 PHE C C 178.17 0.20 1 339 2177 29 PHE CA C 59.23 0.20 1 340 2177 29 PHE CB C 36.48 0.20 1 341 2177 29 PHE CD1 C 130.76 0.20 1 342 2177 29 PHE CD2 C 130.86 0.20 1 343 2177 29 PHE CE1 C 130.75 0.20 1 344 2177 29 PHE CE2 C 130.85 0.20 1 345 2177 29 PHE CZ C 130.85 0.20 1 346 2177 29 PHE N N 120.21 0.20 1 347 2178 30 ASN H H 8.21 0.02 1 348 2178 30 ASN HA H 4.44 0.02 1 349 2178 30 ASN HB2 H 3.01 0.02 2 350 2178 30 ASN HB3 H 2.94 0.02 2 351 2178 30 ASN HD21 H 7.29 0.02 2 352 2178 30 ASN HD22 H 6.97 0.02 2 353 2178 30 ASN C C 177.44 0.20 1 354 2178 30 ASN CA C 56.97 0.20 1 355 2178 30 ASN CB C 38.25 0.20 1 356 2178 30 ASN N N 118.25 0.20 1 357 2178 30 ASN ND2 N 116.36 0.20 1 358 2179 31 ILE H H 7.86 0.02 1 359 2179 31 ILE HA H 3.82 0.02 1 360 2179 31 ILE HB H 1.98 0.02 1 361 2179 31 ILE HG12 H 1.26 0.02 2 362 2179 31 ILE HG13 H 1.77 0.02 2 363 2179 31 ILE HG2 H 0.96 0.02 1 364 2179 31 ILE HD1 H 0.88 0.02 1 365 2179 31 ILE C C 179.05 0.20 1 366 2179 31 ILE CA C 65.14 0.20 1 367 2179 31 ILE CB C 38.18 0.20 1 368 2179 31 ILE CG1 C 28.87 0.20 1 369 2179 31 ILE CG2 C 17.86 0.20 1 370 2179 31 ILE CD1 C 13.34 0.20 1 371 2179 31 ILE N N 121.83 0.20 1 372 2180 32 ILE H H 8.76 0.02 1 373 2180 32 ILE HA H 3.57 0.02 1 374 2180 32 ILE HB H 1.88 0.02 1 375 2180 32 ILE HG12 H 1.94 0.02 2 376 2180 32 ILE HG13 H 0.98 0.02 2 377 2180 32 ILE HG2 H 0.98 0.02 1 378 2180 32 ILE HD1 H 0.96 0.02 1 379 2180 32 ILE C C 177.74 0.20 1 380 2180 32 ILE CA C 65.73 0.20 1 381 2180 32 ILE CB C 38.29 0.20 1 382 2180 32 ILE CG1 C 29.17 0.20 1 383 2180 32 ILE CG2 C 19.91 0.20 1 384 2180 32 ILE CD1 C 17.27 0.20 1 385 2180 32 ILE N N 120.46 0.20 1 386 2181 33 SER H H 8.09 0.02 1 387 2181 33 SER HA H 3.96 0.02 1 388 2181 33 SER HB2 H 4.12 0.02 2 389 2181 33 SER HB3 H 4.12 0.02 2 390 2181 33 SER HG H 4.45 0.02 1 391 2181 33 SER C C 177.14 0.20 1 392 2181 33 SER CA C 61.97 0.20 1 393 2181 33 SER CB C 63.20 0.20 1 394 2181 33 SER N N 112.81 0.20 1 395 2182 34 GLN H H 7.93 0.02 1 396 2182 34 GLN HA H 4.09 0.02 1 397 2182 34 GLN HB2 H 2.25 0.02 2 398 2182 34 GLN HB3 H 2.25 0.02 2 399 2182 34 GLN HG2 H 2.42 0.02 2 400 2182 34 GLN HG3 H 2.59 0.02 2 401 2182 34 GLN HE21 H 7.94 0.02 2 402 2182 34 GLN HE22 H 7.93 0.02 2 403 2182 34 GLN C C 178.15 0.20 1 404 2182 34 GLN CA C 58.85 0.20 1 405 2182 34 GLN CB C 28.48 0.20 1 406 2182 34 GLN CG C 34.12 0.20 1 407 2182 34 GLN N N 119.31 0.20 1 408 2182 34 GLN NE2 N 119.28 0.20 1 409 2183 35 GLN H H 8.09 0.02 1 410 2183 35 GLN HA H 4.07 0.02 1 411 2183 35 GLN HB2 H 2.21 0.02 2 412 2183 35 GLN HB3 H 2.12 0.02 2 413 2183 35 GLN HG2 H 2.42 0.02 2 414 2183 35 GLN HG3 H 2.43 0.02 2 415 2183 35 GLN HE21 H 7.30 0.02 2 416 2183 35 GLN HE22 H 7.30 0.02 2 417 2183 35 GLN C C 178.55 0.20 1 418 2183 35 GLN CA C 58.66 0.20 1 419 2183 35 GLN CB C 28.52 0.20 1 420 2183 35 GLN CG C 33.97 0.20 1 421 2183 35 GLN N N 118.97 0.20 1 422 2183 35 GLN NE2 N 116.67 0.20 1 423 2184 36 LEU H H 8.67 0.02 1 424 2184 36 LEU HA H 4.26 0.02 1 425 2184 36 LEU HB2 H 1.69 0.02 2 426 2184 36 LEU HB3 H 1.13 0.02 2 427 2184 36 LEU HG H 2.10 0.02 1 428 2184 36 LEU HD1 H 1.04 0.02 2 429 2184 36 LEU HD2 H 1.04 0.02 2 430 2184 36 LEU C C 179.98 0.20 1 431 2184 36 LEU CA C 56.76 0.20 1 432 2184 36 LEU CB C 41.81 0.20 1 433 2184 36 LEU CG C 26.19 0.20 1 434 2184 36 LEU CD1 C 21.43 0.20 1 435 2184 36 LEU CD2 C 26.61 0.20 1 436 2184 36 LEU N N 117.56 0.20 1 437 2185 37 GLY H H 8.22 0.02 1 438 2185 37 GLY HA2 H 3.79 0.02 2 439 2185 37 GLY HA3 H 4.19 0.02 2 440 2185 37 GLY C C 174.75 0.20 1 441 2185 37 GLY CA C 46.73 0.20 1 442 2185 37 GLY N N 106.04 0.20 1 443 2186 38 ASN H H 7.48 0.02 1 444 2186 38 ASN HA H 4.77 0.02 1 445 2186 38 ASN HB2 H 2.67 0.02 2 446 2186 38 ASN HB3 H 3.13 0.02 2 447 2186 38 ASN HD21 H 8.22 0.02 2 448 2186 38 ASN HD22 H 6.98 0.02 2 449 2186 38 ASN C C 174.53 0.20 1 450 2186 38 ASN CA C 51.84 0.20 1 451 2186 38 ASN CB C 37.93 0.20 1 452 2186 38 ASN N N 116.53 0.20 1 453 2186 38 ASN ND2 N 115.79 0.20 1 454 2187 39 LYS H H 6.98 0.02 1 455 2187 39 LYS HA H 5.04 0.02 1 456 2187 39 LYS HB2 H 1.58 0.02 2 457 2187 39 LYS HB3 H 1.73 0.02 2 458 2187 39 LYS HG2 H 0.81 0.02 2 459 2187 39 LYS HG3 H 0.81 0.02 2 460 2187 39 LYS HD2 H 1.40 0.02 2 461 2187 39 LYS HD3 H 1.40 0.02 2 462 2187 39 LYS HE2 H 3.20 0.02 2 463 2187 39 LYS HE3 H 3.91 0.02 2 464 2187 39 LYS C C 176.45 0.20 1 465 2187 39 LYS CA C 52.41 0.20 1 466 2187 39 LYS CB C 38.09 0.20 1 467 2187 39 LYS CG C 23.62 0.20 1 468 2187 39 LYS CD C 27.00 0.20 1 469 2187 39 LYS CE C 43.41 0.20 1 470 2187 39 LYS N N 115.86 0.20 1 471 2188 40 THR H H 9.73 0.02 1 472 2188 40 THR HA H 4.08 0.02 1 473 2188 40 THR HB H 4.08 0.02 1 474 2188 40 THR HG1 H 4.74 0.02 1 475 2188 40 THR HG2 H 1.32 0.02 1 476 2188 40 THR CA C 53.97 0.20 1 477 2188 40 THR CB C 62.13 0.20 1 478 2188 40 THR CG2 C 20.27 0.20 1 479 2188 40 THR N N 116.29 0.20 1 480 2189 41 PRO HA H 4.12 0.02 1 481 2189 41 PRO HB2 H 2.40 0.02 2 482 2189 41 PRO HB3 H 2.40 0.02 2 483 2189 41 PRO HG2 H 2.10 0.02 2 484 2189 41 PRO HG3 H 2.12 0.02 2 485 2189 41 PRO HD2 H 4.07 0.02 2 486 2189 41 PRO HD3 H 4.08 0.02 2 487 2189 41 PRO C C 178.52 0.20 1 488 2189 41 PRO CA C 66.30 0.20 1 489 2189 41 PRO CB C 33.86 0.20 1 490 2189 41 PRO CG C 28.44 0.20 1 491 2189 41 PRO CD C 50.50 0.20 1 492 2190 42 ALA H H 8.00 0.02 1 493 2190 42 ALA HA H 4.09 0.02 1 494 2190 42 ALA HB H 1.40 0.02 1 495 2190 42 ALA C C 180.96 0.20 1 496 2190 42 ALA CA C 54.90 0.20 1 497 2190 42 ALA CB C 18.53 0.20 1 498 2190 42 ALA N N 118.56 0.20 1 499 2191 43 GLU H H 7.98 0.02 1 500 2191 43 GLU HA H 4.10 0.02 1 501 2191 43 GLU HB2 H 2.48 0.02 2 502 2191 43 GLU HB3 H 2.62 0.02 2 503 2191 43 GLU HG2 H 2.48 0.02 2 504 2191 43 GLU HG3 H 2.49 0.02 2 505 2191 43 GLU C C 180.06 0.20 1 506 2191 43 GLU CA C 59.45 0.20 1 507 2191 43 GLU CB C 34.08 0.20 1 508 2191 43 GLU CG C 34.10 0.20 1 509 2191 43 GLU N N 120.15 0.20 1 510 2192 44 VAL H H 8.32 0.02 1 511 2192 44 VAL HA H 3.59 0.02 1 512 2192 44 VAL HB H 2.31 0.02 1 513 2192 44 VAL HG1 H 1.10 0.02 2 514 2192 44 VAL HG2 H 1.09 0.02 2 515 2192 44 VAL C C 176.31 0.20 1 516 2192 44 VAL CA C 66.91 0.20 1 517 2192 44 VAL CB C 31.56 0.20 1 518 2192 44 VAL CG1 C 22.92 0.20 1 519 2192 44 VAL CG2 C 22.84 0.20 1 520 2192 44 VAL N N 119.39 0.20 1 521 2193 45 SER H H 8.12 0.02 1 522 2193 45 SER HA H 2.75 0.02 1 523 2193 45 SER HB2 H 3.08 0.02 2 524 2193 45 SER HB3 H 3.30 0.02 2 525 2193 45 SER HG H 2.74 0.02 1 526 2193 45 SER C C 176.91 0.20 1 527 2193 45 SER CA C 60.61 0.20 1 528 2193 45 SER CB C 62.26 0.20 1 529 2193 45 SER N N 114.65 0.20 1 530 2194 46 HIS H H 7.92 0.02 1 531 2194 46 HIS HA H 4.13 0.02 1 532 2194 46 HIS HB2 H 3.30 0.02 2 533 2194 46 HIS HB3 H 3.30 0.02 2 534 2194 46 HIS HD2 H 7.34 0.02 1 535 2194 46 HIS HE1 H 6.94 0.02 1 536 2194 46 HIS C C 177.25 0.20 1 537 2194 46 HIS CA C 59.19 0.20 1 538 2194 46 HIS CB C 28.66 0.20 1 539 2194 46 HIS CD2 C 115.23 0.20 1 540 2194 46 HIS CE1 C 130.71 0.20 1 541 2194 46 HIS N N 118.70 0.20 1 542 2195 47 ARG H H 8.10 0.02 1 543 2195 47 ARG HA H 3.83 0.02 1 544 2195 47 ARG HB2 H 2.43 0.02 2 545 2195 47 ARG HB3 H 2.43 0.02 2 546 2195 47 ARG HG2 H 1.12 0.02 2 547 2195 47 ARG HG3 H 0.97 0.02 2 548 2195 47 ARG HD2 H 3.69 0.02 2 549 2195 47 ARG HD3 H 3.69 0.02 2 550 2195 47 ARG HE H 4.27 0.02 1 551 2195 47 ARG C C 177.61 0.20 1 552 2195 47 ARG CA C 56.74 0.20 1 553 2195 47 ARG CB C 31.61 0.20 1 554 2195 47 ARG CG C 22.91 0.20 1 555 2195 47 ARG CD C 44.45 0.20 1 556 2195 47 ARG N N 121.12 0.20 1 557 2196 48 PHE H H 8.52 0.02 1 558 2196 48 PHE HA H 3.87 0.02 1 559 2196 48 PHE HB2 H 2.98 0.02 2 560 2196 48 PHE HB3 H 3.01 0.02 2 561 2196 48 PHE HD1 H 7.07 0.02 1 562 2196 48 PHE HD2 H 7.07 0.02 1 563 2196 48 PHE HE1 H 7.30 0.02 1 564 2196 48 PHE HE2 H 7.32 0.02 1 565 2196 48 PHE HZ H 7.30 0.02 1 566 2196 48 PHE C C 176.01 0.20 1 567 2196 48 PHE CA C 62.37 0.20 1 568 2196 48 PHE CB C 38.73 0.20 1 569 2196 48 PHE CD1 C 131.61 0.20 1 570 2196 48 PHE CD2 C 131.60 0.20 1 571 2196 48 PHE CE1 C 131.50 0.20 1 572 2196 48 PHE CE2 C 131.55 0.20 1 573 2196 48 PHE CZ C 131.58 0.20 1 574 2196 48 PHE N N 119.26 0.20 1 575 2197 49 ARG H H 7.37 0.02 1 576 2197 49 ARG HA H 3.55 0.02 1 577 2197 49 ARG HB2 H 1.61 0.02 2 578 2197 49 ARG HB3 H 1.85 0.02 2 579 2197 49 ARG HG2 H 1.61 0.02 2 580 2197 49 ARG HG3 H 1.85 0.02 2 581 2197 49 ARG HD2 H 3.14 0.02 2 582 2197 49 ARG HD3 H 3.20 0.02 2 583 2197 49 ARG HE H 10.27 0.02 1 584 2197 49 ARG C C 179.19 0.20 1 585 2197 49 ARG CA C 59.45 0.20 1 586 2197 49 ARG CB C 27.53 0.20 1 587 2197 49 ARG CG C 27.50 0.20 1 588 2197 49 ARG CD C 43.35 0.20 1 589 2197 49 ARG N N 116.30 0.20 1 590 2198 50 GLU H H 7.77 0.02 1 591 2198 50 GLU HA H 3.83 0.02 1 592 2198 50 GLU HB2 H 2.06 0.02 2 593 2198 50 GLU HB3 H 2.07 0.02 2 594 2198 50 GLU HG2 H 2.02 0.02 2 595 2198 50 GLU HG3 H 2.02 0.02 2 596 2198 50 GLU C C 179.56 0.20 1 597 2198 50 GLU CA C 59.38 0.20 1 598 2198 50 GLU CB C 30.42 0.20 1 599 2198 50 GLU CG C 36.27 0.20 1 600 2198 50 GLU N N 119.87 0.20 1 601 2199 51 LEU H H 8.50 0.02 1 602 2199 51 LEU HA H 3.79 0.02 1 603 2199 51 LEU HB2 H 1.78 0.02 2 604 2199 51 LEU HB3 H 1.10 0.02 2 605 2199 51 LEU HG H 1.42 0.02 1 606 2199 51 LEU HD1 H 0.63 0.02 2 607 2199 51 LEU HD2 H 0.70 0.02 2 608 2199 51 LEU C C 179.31 0.20 1 609 2199 51 LEU CA C 57.40 0.20 1 610 2199 51 LEU CB C 42.04 0.20 1 611 2199 51 LEU CG C 26.75 0.20 1 612 2199 51 LEU CD1 C 21.64 0.20 1 613 2199 51 LEU CD2 C 25.70 0.20 1 614 2199 51 LEU N N 120.09 0.20 1 615 2200 52 MET H H 7.81 0.02 1 616 2200 52 MET HA H 4.28 0.02 1 617 2200 52 MET HB2 H 1.70 0.02 2 618 2200 52 MET HB3 H 1.74 0.02 2 619 2200 52 MET HG2 H 1.74 0.02 2 620 2200 52 MET HG3 H 1.75 0.02 2 621 2200 52 MET HE H 2.06 0.02 1 622 2200 52 MET C C 178.65 0.20 1 623 2200 52 MET CA C 56.40 0.20 1 624 2200 52 MET CB C 31.88 0.20 1 625 2200 52 MET CG C 32.92 0.20 1 626 2200 52 MET CE C 16.99 0.20 1 627 2200 52 MET N N 116.51 0.20 1 628 2201 53 GLN H H 7.58 0.02 1 629 2201 53 GLN HA H 4.06 0.02 1 630 2201 53 GLN HB2 H 2.08 0.02 2 631 2201 53 GLN HB3 H 2.08 0.02 2 632 2201 53 GLN HG2 H 2.39 0.02 2 633 2201 53 GLN HG3 H 2.40 0.02 2 634 2201 53 GLN HE21 H 7.71 0.02 2 635 2201 53 GLN HE22 H 7.71 0.02 2 636 2201 53 GLN C C 177.82 0.20 1 637 2201 53 GLN CA C 57.86 0.20 1 638 2201 53 GLN CB C 28.30 0.20 1 639 2201 53 GLN CG C 33.91 0.20 1 640 2201 53 GLN N N 118.42 0.20 1 641 2201 53 GLN NE2 N 118.42 0.20 1 642 2202 54 LEU H H 7.71 0.02 1 643 2202 54 LEU HA H 4.06 0.02 1 644 2202 54 LEU HB2 H 1.28 0.02 2 645 2202 54 LEU HB3 H 1.54 0.02 2 646 2202 54 LEU HG H 1.53 0.02 1 647 2202 54 LEU HD1 H 0.74 0.02 2 648 2202 54 LEU HD2 H 0.75 0.02 2 649 2202 54 LEU C C 178.36 0.20 1 650 2202 54 LEU CA C 56.57 0.20 1 651 2202 54 LEU CB C 42.18 0.20 1 652 2202 54 LEU CG C 26.80 0.20 1 653 2202 54 LEU CD1 C 23.30 0.20 1 654 2202 54 LEU CD2 C 24.84 0.20 1 655 2202 54 LEU N N 119.83 0.20 1 656 2203 55 PHE H H 7.83 0.02 1 657 2203 55 PHE HA H 4.53 0.02 1 658 2203 55 PHE HB2 H 2.93 0.02 2 659 2203 55 PHE HB3 H 3.15 0.02 2 660 2203 55 PHE HD1 H 7.17 0.02 1 661 2203 55 PHE HD2 H 7.18 0.02 1 662 2203 55 PHE HE1 H 7.19 0.02 1 663 2203 55 PHE HE2 H 7.21 0.02 1 664 2203 55 PHE HZ H 7.20 0.02 1 665 2203 55 PHE C C 179.37 0.20 1 666 2203 55 PHE CA C 58.32 0.20 1 667 2203 55 PHE CB C 39.09 0.20 1 668 2203 55 PHE CD1 C 131.48 0.20 1 669 2203 55 PHE CD2 C 131.46 0.20 1 670 2203 55 PHE CE1 C 127.41 0.20 1 671 2203 55 PHE CE2 C 129.65 0.20 1 672 2203 55 PHE CZ C 120.03 0.20 1 673 2203 55 PHE N N 117.54 0.20 1 674 2204 56 HIS H H 8.09 0.02 1 675 2204 56 HIS HA H 4.77 0.02 1 676 2204 56 HIS HB2 H 1.80 0.02 2 677 2204 56 HIS HB3 H 2.59 0.02 2 678 2204 56 HIS HD2 H 7.56 0.02 1 679 2204 56 HIS HE1 H 8.43 0.02 1 680 2204 56 HIS C C 176.25 0.20 1 681 2204 56 HIS CA C 56.31 0.20 1 682 2204 56 HIS CB C 33.05 0.20 1 683 2204 56 HIS CD2 C 120.80 0.20 1 684 2204 56 HIS CE1 C 136.81 0.20 1 685 2204 56 HIS N N 118.22 0.20 1 686 2205 57 THR H H 8.13 0.02 1 687 2205 57 THR HA H 4.27 0.02 1 688 2205 57 THR HB H 4.22 0.02 1 689 2205 57 THR HG1 H 4.25 0.02 1 690 2205 57 THR HG2 H 1.20 0.02 1 691 2205 57 THR C C 174.40 0.20 1 692 2205 57 THR CA C 62.44 0.20 1 693 2205 57 THR CB C 69.72 0.20 1 694 2205 57 THR CG2 C 21.68 0.20 1 695 2205 57 THR N N 122.88 0.20 1 696 2206 58 ALA H H 8.26 0.02 1 697 2206 58 ALA HA H 4.33 0.02 1 698 2206 58 ALA HB H 1.41 0.02 1 699 2206 58 ALA C C 177.61 0.20 1 700 2206 58 ALA CA C 52.83 0.20 1 701 2206 58 ALA CB C 19.21 0.20 1 702 2206 58 ALA N N 125.89 0.20 1 703 2207 59 CYS H H 8.19 0.02 1 704 2207 59 CYS HA H 4.46 0.02 1 705 2207 59 CYS HB2 H 2.90 0.02 2 706 2207 59 CYS HB3 H 2.90 0.02 2 707 2207 59 CYS HG H 4.76 0.02 1 708 2207 59 CYS C C 174.43 0.20 1 709 2207 59 CYS CA C 58.75 0.20 1 710 2207 59 CYS CB C 28.13 0.20 1 711 2207 59 CYS N N 117.75 0.20 1 712 2208 60 GLU H H 8.32 0.02 1 713 2208 60 GLU HA H 4.29 0.02 1 714 2208 60 GLU HB2 H 1.92 0.02 2 715 2208 60 GLU HB3 H 2.08 0.02 2 716 2208 60 GLU HG2 H 2.25 0.02 2 717 2208 60 GLU HG3 H 2.50 0.02 2 718 2208 60 GLU C C 175.05 0.20 1 719 2208 60 GLU CA C 56.49 0.20 1 720 2208 60 GLU CB C 30.33 0.20 1 721 2208 60 GLU CG C 36.28 0.20 1 722 2208 60 GLU N N 123.21 0.20 1 723 2209 61 ALA H H 7.92 0.02 1 724 2209 61 ALA HA H 4.28 0.02 1 725 2209 61 ALA HB H 1.38 0.02 1 726 2209 61 ALA CA C 53.91 0.20 1 727 2209 61 ALA CB C 19.23 0.20 1 728 2209 61 ALA N N 130.47 0.20 1 stop_ save_