data_25473 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Pcf11 second N-terminal domain ; _BMRB_accession_number 25473 _BMRB_flat_file_name bmr25473.str _Entry_type original _Submission_date 2015-02-06 _Accession_date 2015-02-06 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Helical domain located C-terminal to the CID in Pcf11' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Xu Xiaoqian . . 2 Mackereth Cameron D . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 635 "13C chemical shifts" 454 "15N chemical shifts" 107 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-11-02 original BMRB . stop_ _Original_release_date 2016-11-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Chemical shift assignments of a new folded domain from yeast Pcf11 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26133941 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Xu Xiaoqian . . 2 Perebaskine Natacha . . 3 Minvielle-Sebastia Lionel . . 4 Fribourg Sebastien . . 5 Mackereth Cameron D. . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 9 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 421 _Page_last 425 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Pcf11 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Pcf11 $Pcf11 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_Pcf11 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Pcf11 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 96 _Mol_residue_sequence ; GHMLHQKNLQAMLPTPTVPL LLRDIDKLTCLTSERLKNQP NDEKLKMKLLVLSQLKQELK REKLTLNALKQVQMQLRQVF SQDQQVLQERMRYHEL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 138 GLY 2 139 HIS 3 140 MET 4 141 LEU 5 142 HIS 6 143 GLN 7 144 LYS 8 145 ASN 9 146 LEU 10 147 GLN 11 148 ALA 12 149 MET 13 150 LEU 14 151 PRO 15 152 THR 16 153 PRO 17 154 THR 18 155 VAL 19 156 PRO 20 157 LEU 21 158 LEU 22 159 LEU 23 160 ARG 24 161 ASP 25 162 ILE 26 163 ASP 27 164 LYS 28 165 LEU 29 166 THR 30 167 CYS 31 168 LEU 32 169 THR 33 170 SER 34 171 GLU 35 172 ARG 36 173 LEU 37 174 LYS 38 175 ASN 39 176 GLN 40 177 PRO 41 178 ASN 42 179 ASP 43 180 GLU 44 181 LYS 45 182 LEU 46 183 LYS 47 184 MET 48 185 LYS 49 186 LEU 50 187 LEU 51 188 VAL 52 189 LEU 53 190 SER 54 191 GLN 55 192 LEU 56 193 LYS 57 194 GLN 58 195 GLU 59 196 LEU 60 197 LYS 61 198 ARG 62 199 GLU 63 200 LYS 64 201 LEU 65 202 THR 66 203 LEU 67 204 ASN 68 205 ALA 69 206 LEU 70 207 LYS 71 208 GLN 72 209 VAL 73 210 GLN 74 211 MET 75 212 GLN 76 213 LEU 77 214 ARG 78 215 GLN 79 216 VAL 80 217 PHE 81 218 SER 82 219 GLN 83 220 ASP 84 221 GLN 85 222 GLN 86 223 VAL 87 224 LEU 88 225 GLN 89 226 GLU 90 227 ARG 91 228 MET 92 229 ARG 93 230 TYR 94 231 HIS 95 232 GLU 96 233 LEU 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 P39081 PCF11 . . . . . NCBI NP_010514.3 Pcf11p . . . . . stop_ 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 $Pcf11 "baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae PCF11 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $Pcf11 'recombinant technology' . Escherichia coli BL21 LysY pET15b 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 $Pcf11 450 uM '[U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' D2O 10 % '[U-100% 2H]' H2O 90 % 'natural abundance' DTT 2 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pcf11 200 uM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' D2O 10 % '[U-100% 2H]' H2O 90 % 'natural abundance' DTT 2 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pcf11 200 uM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' D2O 100 % '[U-100% 2H]' DTT 2 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pcf11 100 uM '[U-10% 13C]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' D2O 10 % '[U-100% 2H]' H2O 90 % 'natural abundance' DTT 2 mM 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pcf11 200 uM '[U-13C; U-15N]-Leu' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' D2O 100 % '[U-100% 2H]' DTT 2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_HCACO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_2 save_ save_3D_(H)CCONH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCONH-TOCSY' _Sample_label $sample_2 save_ save_3D_(H)CCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY' _Sample_label $sample_3 save_ save_3D_H(C)CH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(C)CH-TOCSY' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_(CT)_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC (CT)' _Sample_label $sample_4 save_ save_3D_1H-15N_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_4 save_ save_3D_HCACO_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_5 save_ save_3D_(H)CCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY' _Sample_label $sample_5 save_ save_3D_H(C)CH-TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(C)CH-TOCSY' _Sample_label $sample_5 save_ save_3D_HNHA_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_4 save_ save_2D_1H-15N_HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N 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' 170 . mM pH 6.5 . pH pressure 1 . atm temperature 300 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 70 . mM pH 6.5 . pH pressure 1 . atm temperature 300 . 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 external indirect . . . 0.251449530 water H 1 protons ppm 4.755 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0.00 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $TOPSPIN $NMRPipe $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HN(CA)CO' '3D HCACO' '3D (H)CCONH-TOCSY' '3D (H)CCH-TOCSY' '3D H(C)CH-TOCSY' '2D 1H-13C HSQC (CT)' '3D 1H-15N TOCSY' '3D HNHA' stop_ loop_ _Sample_label $sample_2 $sample_3 $sample_4 $sample_5 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Pcf11 _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 1 139 2 HIS C C 174.987 0.2 1 2 139 2 HIS CA C 56.062 0.2 1 3 139 2 HIS CB C 30.669 0.2 1 4 140 3 MET H H 8.505 0.02 1 5 140 3 MET HA H 4.41 0.02 1 6 140 3 MET C C 175.883 0.2 1 7 140 3 MET CA C 55.578 0.2 1 8 140 3 MET CB C 32.953 0.2 1 9 140 3 MET CG C 31.952 0.2 1 10 140 3 MET N N 122.362 0.2 1 11 141 4 LEU H H 8.364 0.02 1 12 141 4 LEU HA H 4.284 0.02 1 13 141 4 LEU HB2 H 1.868 0.02 2 14 141 4 LEU HB3 H 1.547 0.02 2 15 141 4 LEU HD1 H 0.894 0.02 1 16 141 4 LEU HD2 H 0.847 0.02 1 17 141 4 LEU HG H 1.868 0.02 1 18 141 4 LEU C C 176.993 0.2 1 19 141 4 LEU CA C 55.254 0.2 1 20 141 4 LEU CB C 42.361 0.2 1 21 141 4 LEU CD1 C 24.892 0.2 1 22 141 4 LEU CD2 C 23.489 0.2 1 23 141 4 LEU CG C 26.895 0.02 1 24 141 4 LEU N N 123.762 0.2 1 25 142 5 HIS H H 8.358 0.02 1 26 142 5 HIS HA H 4.004 0.02 1 27 142 5 HIS HB2 H 1.977 0.02 2 28 142 5 HIS HB3 H 1.977 0.02 2 29 142 5 HIS C C 175.029 0.2 1 30 142 5 HIS CA C 55.902 0.2 1 31 142 5 HIS CB C 29.858 0.2 1 32 142 5 HIS N N 119.729 0.2 1 33 143 6 GLN H H 8.314 0.02 1 34 143 6 GLN HA H 4.258 0.02 1 35 143 6 GLN HB2 H 1.972 0.02 2 36 143 6 GLN HB3 H 1.972 0.02 2 37 143 6 GLN HE21 H 7.57 0.02 2 38 143 6 GLN HE22 H 6.865 0.02 2 39 143 6 GLN HG2 H 2.368 0.02 1 40 143 6 GLN HG3 H 2.368 0.02 1 41 143 6 GLN C C 175.945 0.2 1 42 143 6 GLN CA C 56.025 0.2 1 43 143 6 GLN CB C 29.544 0.2 1 44 143 6 GLN CG C 33.974 0.2 1 45 143 6 GLN N N 121.612 0.2 1 46 143 6 GLN NE2 N 112.18 0.2 1 47 144 7 LYS H H 8.445 0.02 1 48 144 7 LYS HA H 4.228 0.02 1 49 144 7 LYS HB2 H 2.184 0.02 1 50 144 7 LYS HB3 H 2.184 0.02 1 51 144 7 LYS HD2 H 1.9 0.02 1 52 144 7 LYS HD3 H 1.9 0.02 1 53 144 7 LYS HE2 H 3.147 0.02 1 54 144 7 LYS HE3 H 3.147 0.02 1 55 144 7 LYS HG2 H 1.633 0.02 1 56 144 7 LYS HG3 H 1.633 0.02 1 57 144 7 LYS C C 176.208 0.2 1 58 144 7 LYS CA C 56.695 0.2 1 59 144 7 LYS CB C 33.078 0.2 1 60 144 7 LYS CD C 29.3 0.2 1 61 144 7 LYS CE C 43.284 0.2 1 62 144 7 LYS CG C 24.965 0.2 1 63 144 7 LYS N N 122.553 0.2 1 64 145 8 ASN H H 8.432 0.02 1 65 145 8 ASN HA H 4.703 0.02 1 66 145 8 ASN HB2 H 2.853 0.02 2 67 145 8 ASN HB3 H 2.791 0.02 2 68 145 8 ASN HD21 H 7.584 0.02 2 69 145 8 ASN HD22 H 6.89 0.02 2 70 145 8 ASN C C 175.331 0.2 1 71 145 8 ASN CA C 53.398 0.2 1 72 145 8 ASN CB C 38.596 0.2 1 73 145 8 ASN CG C 176.978 0.2 1 74 145 8 ASN N N 119.311 0.2 1 75 145 8 ASN ND2 N 112.571 0.2 1 76 146 9 LEU H H 8.195 0.02 1 77 146 9 LEU HA H 4.274 0.02 1 78 146 9 LEU HB2 H 1.618 0.02 1 79 146 9 LEU HB3 H 1.618 0.02 1 80 146 9 LEU HD1 H 0.852 0.02 1 81 146 9 LEU HD2 H 0.852 0.02 1 82 146 9 LEU HG H 1.96 0.02 1 83 146 9 LEU C C 177.571 0.2 1 84 146 9 LEU CA C 55.707 0.2 1 85 146 9 LEU CB C 42.27 0.2 1 86 146 9 LEU CD1 C 24.9 0.2 1 87 146 9 LEU CD2 C 23.586 0.2 1 88 146 9 LEU CG C 26.813 0.02 1 89 146 9 LEU N N 122.819 0.2 1 90 147 10 GLN H H 8.27 0.02 1 91 147 10 GLN HA H 4.224 0.02 1 92 147 10 GLN HB2 H 2.039 0.02 1 93 147 10 GLN HB3 H 2.039 0.02 1 94 147 10 GLN HE21 H 7.316 0.02 2 95 147 10 GLN HE22 H 6.645 0.02 2 96 147 10 GLN HG2 H 2.355 0.02 1 97 147 10 GLN HG3 H 2.355 0.02 1 98 147 10 GLN C C 175.836 0.2 1 99 147 10 GLN CA C 56.219 0.2 1 100 147 10 GLN CB C 29.146 0.2 1 101 147 10 GLN CG C 34.621 0.2 1 102 147 10 GLN N N 120.308 0.2 1 103 147 10 GLN NE2 N 111.024 0.2 1 104 148 11 ALA H H 8.078 0.02 1 105 148 11 ALA HA H 4.269 0.02 1 106 148 11 ALA HB H 1.356 0.02 1 107 148 11 ALA C C 177.432 0.2 1 108 148 11 ALA CA C 52.624 0.2 1 109 148 11 ALA CB C 19.06 0.2 1 110 148 11 ALA N N 124.219 0.2 1 111 149 12 MET H H 8.141 0.02 1 112 149 12 MET HA H 4.426 0.02 1 113 149 12 MET HB2 H 1.986 0.02 1 114 149 12 MET HB3 H 1.986 0.02 1 115 149 12 MET HE H 2.081 0.02 1 116 149 12 MET HG2 H 2.506 0.02 1 117 149 12 MET HG3 H 2.506 0.02 1 118 149 12 MET C C 175.801 0.2 1 119 149 12 MET CA C 55.204 0.2 1 120 149 12 MET CB C 32.971 0.2 1 121 149 12 MET CE C 17.08 0.2 1 122 149 12 MET CG C 32.217 0.2 1 123 149 12 MET N N 119.375 0.2 1 124 150 13 LEU H H 8.162 0.02 1 125 150 13 LEU HA H 4.606 0.02 1 126 150 13 LEU HB2 H 1.476 0.02 2 127 150 13 LEU HB3 H 1.605 0.02 2 128 150 13 LEU HD1 H 0.877 0.02 1 129 150 13 LEU HD2 H 0.842 0.02 1 130 150 13 LEU HG H 1.67 0.02 1 131 150 13 LEU C C 174.963 0.2 1 132 150 13 LEU CA C 52.813 0.2 1 133 150 13 LEU CB C 41.66 0.2 1 134 150 13 LEU CD1 C 25.3 0.2 1 135 150 13 LEU CD2 C 23.27 0.2 1 136 150 13 LEU CG C 27.049 0.2 1 137 150 13 LEU N N 124.611 0.2 1 138 151 14 PRO HA H 4.475 0.02 1 139 151 14 PRO HB2 H 1.826 0.02 2 140 151 14 PRO HB3 H 2.236 0.02 2 141 151 14 PRO HD2 H 3.596 0.02 2 142 151 14 PRO HD3 H 3.811 0.02 2 143 151 14 PRO HG2 H 1.886 0.02 2 144 151 14 PRO HG3 H 2.003 0.02 2 145 151 14 PRO C C 176.47 0.2 1 146 151 14 PRO CA C 62.477 0.2 1 147 151 14 PRO CB C 31.974 0.2 1 148 151 14 PRO CD C 51.118 0.2 1 149 151 14 PRO CG C 27.335 0.2 1 150 152 15 THR H H 8.381 0.02 1 151 152 15 THR HA H 4.373 0.02 1 152 152 15 THR HB H 4.006 0.02 1 153 152 15 THR HG2 H 1.263 0.02 1 154 152 15 THR C C 172.712 0.2 1 155 152 15 THR CA C 60.899 0.2 1 156 152 15 THR CB C 69.713 0.2 1 157 152 15 THR CG2 C 21.758 0.2 1 158 152 15 THR N N 119.471 0.2 1 159 153 16 PRO HA H 4.476 0.02 1 160 153 16 PRO HB2 H 1.769 0.02 1 161 153 16 PRO HB3 H 1.769 0.02 1 162 153 16 PRO HD2 H 3.707 0.02 2 163 153 16 PRO HD3 H 3.976 0.02 2 164 153 16 PRO HG2 H 1.983 0.02 1 165 153 16 PRO HG3 H 1.983 0.02 1 166 153 16 PRO C C 174.471 0.2 1 167 153 16 PRO CA C 62.806 0.2 1 168 153 16 PRO CB C 32.293 0.2 1 169 153 16 PRO CD C 50.187 0.2 1 170 153 16 PRO CG C 27.169 0.2 1 171 154 17 THR H H 6.887 0.02 1 172 154 17 THR HA H 4.547 0.02 1 173 154 17 THR HB H 4.41 0.02 1 174 154 17 THR HG2 H 1.19 0.02 1 175 154 17 THR C C 173.939 0.2 1 176 154 17 THR CA C 58.996 0.2 1 177 154 17 THR CB C 71.955 0.2 1 178 154 17 THR CG2 C 21.93 0.2 1 179 154 17 THR N N 107.525 0.2 1 180 155 18 VAL H H 9.265 0.02 1 181 155 18 VAL HA H 3.764 0.02 1 182 155 18 VAL HB H 2.34 0.02 1 183 155 18 VAL HG1 H 0.999 0.02 1 184 155 18 VAL HG2 H 1.189 0.02 1 185 155 18 VAL C C 174.735 0.2 1 186 155 18 VAL CA C 69.413 0.2 1 187 155 18 VAL CB C 29.764 0.2 1 188 155 18 VAL CG1 C 21.944 0.2 1 189 155 18 VAL CG2 C 25.014 0.2 1 190 155 18 VAL N N 121.444 0.2 1 191 156 19 PRO HA H 4.23 0.02 1 192 156 19 PRO HB2 H 1.754 0.02 2 193 156 19 PRO HB3 H 2.325 0.02 2 194 156 19 PRO HD2 H 3.802 0.02 1 195 156 19 PRO HD3 H 3.802 0.02 1 196 156 19 PRO HG2 H 1.998 0.02 2 197 156 19 PRO HG3 H 2.097 0.02 2 198 156 19 PRO C C 179.893 0.2 1 199 156 19 PRO CA C 66.223 0.2 1 200 156 19 PRO CB C 31.346 0.2 1 201 156 19 PRO CD C 49.719 0.2 1 202 156 19 PRO CG C 28.555 0.2 1 203 157 20 LEU H H 7.237 0.02 1 204 157 20 LEU HA H 4.053 0.02 1 205 157 20 LEU HB2 H 1.579 0.02 2 206 157 20 LEU HB3 H 1.809 0.02 2 207 157 20 LEU HD1 H 0.939 0.02 1 208 157 20 LEU HD2 H 0.859 0.02 1 209 157 20 LEU HG H 1.96 0.02 1 210 157 20 LEU C C 179.272 0.2 1 211 157 20 LEU CA C 58.141 0.2 1 212 157 20 LEU CB C 42.247 0.2 1 213 157 20 LEU CD1 C 25.142 0.2 1 214 157 20 LEU CD2 C 24.044 0.2 1 215 157 20 LEU CG C 26.895 0.02 1 216 157 20 LEU N N 117.518 0.2 1 217 158 21 LEU H H 8.079 0.02 1 218 158 21 LEU HA H 4.158 0.02 1 219 158 21 LEU HB2 H 1.217 0.02 2 220 158 21 LEU HB3 H 2.03 0.02 2 221 158 21 LEU HD1 H 0.899 0.02 1 222 158 21 LEU HD2 H 0.885 0.02 1 223 158 21 LEU HG H 1.94 0.02 1 224 158 21 LEU C C 179.53 0.2 1 225 158 21 LEU CA C 57.669 0.2 1 226 158 21 LEU CB C 42.421 0.2 1 227 158 21 LEU CD1 C 27.128 0.2 1 228 158 21 LEU CD2 C 22.878 0.2 1 229 158 21 LEU CG C 27.145 0.2 1 230 158 21 LEU N N 119.797 0.2 1 231 159 22 LEU H H 8.719 0.02 1 232 159 22 LEU HA H 3.899 0.02 1 233 159 22 LEU HB2 H 1.453 0.02 1 234 159 22 LEU HB3 H 1.861 0.02 1 235 159 22 LEU HD1 H 0.817 0.02 1 236 159 22 LEU HD2 H 0.872 0.02 1 237 159 22 LEU HG H 1.752 0.02 1 238 159 22 LEU C C 179.168 0.2 1 239 159 22 LEU CA C 58.194 0.2 1 240 159 22 LEU CB C 41.411 0.2 1 241 159 22 LEU CD1 C 25.928 0.2 1 242 159 22 LEU CD2 C 24 0.2 1 243 159 22 LEU CG C 26.769 0.2 1 244 159 22 LEU N N 118.72 0.2 1 245 160 23 ARG H H 7.672 0.02 1 246 160 23 ARG HA H 4.138 0.02 1 247 160 23 ARG HB2 H 1.992 0.02 2 248 160 23 ARG HB3 H 2.093 0.02 2 249 160 23 ARG HD2 H 3.207 0.02 1 250 160 23 ARG HD3 H 3.207 0.02 1 251 160 23 ARG HG2 H 1.584 0.02 2 252 160 23 ARG HG3 H 1.648 0.02 2 253 160 23 ARG C C 179.218 0.2 1 254 160 23 ARG CA C 59.546 0.2 1 255 160 23 ARG CB C 29.703 0.2 1 256 160 23 ARG CD C 43.75 0.2 1 257 160 23 ARG CG C 27.324 0.2 1 258 160 23 ARG N N 119.951 0.2 1 259 161 24 ASP H H 7.761 0.02 1 260 161 24 ASP HA H 4.407 0.02 1 261 161 24 ASP HB2 H 2.434 0.02 2 262 161 24 ASP HB3 H 2.859 0.02 2 263 161 24 ASP C C 178.867 0.2 1 264 161 24 ASP CA C 57.863 0.2 1 265 161 24 ASP CB C 40.116 0.2 1 266 161 24 ASP N N 121.624 0.2 1 267 162 25 ILE H H 8.645 0.02 1 268 162 25 ILE HA H 3.459 0.02 1 269 162 25 ILE HB H 1.931 0.02 1 270 162 25 ILE HD1 H 0.708 0.02 1 271 162 25 ILE HG12 H 0.865 0.02 2 272 162 25 ILE HG13 H 1.831 0.02 2 273 162 25 ILE HG2 H 0.874 0.02 1 274 162 25 ILE C C 179.442 0.2 1 275 162 25 ILE CA C 65.892 0.2 1 276 162 25 ILE CB C 38.137 0.2 1 277 162 25 ILE CD1 C 14.747 0.2 1 278 162 25 ILE CG1 C 31.415 0.2 1 279 162 25 ILE CG2 C 17.582 0.2 1 280 162 25 ILE N N 120.584 0.2 1 281 163 26 ASP H H 8.714 0.02 1 282 163 26 ASP HA H 4.454 0.02 1 283 163 26 ASP HB2 H 2.727 0.02 2 284 163 26 ASP HB3 H 2.847 0.02 2 285 163 26 ASP C C 179.012 0.2 1 286 163 26 ASP CA C 58.257 0.2 1 287 163 26 ASP CB C 40.258 0.2 1 288 163 26 ASP N N 125.243 0.2 1 289 164 27 LYS H H 8.061 0.02 1 290 164 27 LYS HA H 4.088 0.02 1 291 164 27 LYS HB2 H 1.885 0.02 2 292 164 27 LYS HB3 H 1.992 0.02 2 293 164 27 LYS HD2 H 1.753 0.02 1 294 164 27 LYS HD3 H 1.753 0.02 1 295 164 27 LYS HE2 H 2.924 0.02 1 296 164 27 LYS HE3 H 2.924 0.02 1 297 164 27 LYS HG2 H 1.475 0.02 2 298 164 27 LYS HG3 H 1.623 0.02 2 299 164 27 LYS C C 179.926 0.2 1 300 164 27 LYS CA C 60.029 0.2 1 301 164 27 LYS CB C 32.463 0.2 1 302 164 27 LYS CD C 29.379 0.2 1 303 164 27 LYS CE C 42.045 0.2 1 304 164 27 LYS CG C 25.386 0.2 1 305 164 27 LYS N N 121.235 0.2 1 306 165 28 LEU H H 8.529 0.02 1 307 165 28 LEU HA H 3.966 0.02 1 308 165 28 LEU HB2 H 0.826 0.02 2 309 165 28 LEU HB3 H 1.678 0.02 2 310 165 28 LEU HD1 H 0.354 0.02 1 311 165 28 LEU HD2 H 0.669 0.02 1 312 165 28 LEU HG H 1.657 0.02 1 313 165 28 LEU C C 180.468 0.2 1 314 165 28 LEU CA C 57.512 0.2 1 315 165 28 LEU CB C 42.116 0.2 1 316 165 28 LEU CD1 C 25.091 0.2 1 317 165 28 LEU CD2 C 22.72 0.2 1 318 165 28 LEU CG C 26.854 0.02 1 319 165 28 LEU N N 119.671 0.2 1 320 166 29 THR H H 8.968 0.02 1 321 166 29 THR HA H 3.742 0.02 1 322 166 29 THR HB H 4.513 0.02 1 323 166 29 THR HG1 H 4.912 0.02 1 324 166 29 THR HG2 H 1.196 0.02 1 325 166 29 THR C C 176.184 0.2 1 326 166 29 THR CA C 67.907 0.2 1 327 166 29 THR CB C 68.389 0.2 1 328 166 29 THR CG2 C 20.723 0.2 1 329 166 29 THR N N 123.061 0.2 1 330 167 30 CYS H H 8.03 0.02 1 331 167 30 CYS HA H 4.165 0.02 1 332 167 30 CYS HB2 H 3.087 0.02 2 333 167 30 CYS HB3 H 3.016 0.02 2 334 167 30 CYS C C 177.025 0.2 1 335 167 30 CYS CA C 63.623 0.2 1 336 167 30 CYS CB C 26.21 0.2 1 337 167 30 CYS N N 123.359 0.2 1 338 168 31 LEU H H 7.926 0.02 1 339 168 31 LEU HA H 4.155 0.02 1 340 168 31 LEU HB2 H 1.726 0.02 1 341 168 31 LEU HB3 H 1.726 0.02 1 342 168 31 LEU HD1 H 0.952 0.02 1 343 168 31 LEU HD2 H 0.92 0.02 1 344 168 31 LEU HG H 1.624 0.02 1 345 168 31 LEU C C 179.038 0.2 1 346 168 31 LEU CA C 58.148 0.2 1 347 168 31 LEU CB C 42.793 0.2 1 348 168 31 LEU CD1 C 24.587 0.2 1 349 168 31 LEU CD2 C 24.245 0.2 1 350 168 31 LEU CG C 26.973 0.02 1 351 168 31 LEU N N 119.773 0.2 1 352 169 32 THR H H 8.26 0.02 1 353 169 32 THR HA H 3.827 0.02 1 354 169 32 THR HB H 4.181 0.02 1 355 169 32 THR HG1 H 4.97 0.02 1 356 169 32 THR HG2 H 1.333 0.02 1 357 169 32 THR C C 175.913 0.2 1 358 169 32 THR CA C 67.765 0.2 1 359 169 32 THR CB C 68.725 0.2 1 360 169 32 THR CG2 C 23.256 0.2 1 361 169 32 THR N N 115.861 0.2 1 362 170 33 SER H H 8.693 0.02 1 363 170 33 SER HA H 4.119 0.02 1 364 170 33 SER HB2 H 3.931 0.02 1 365 170 33 SER HB3 H 3.931 0.02 1 366 170 33 SER C C 176.734 0.2 1 367 170 33 SER CA C 62.76 0.2 1 368 170 33 SER CB C 62.529 0.2 1 369 170 33 SER N N 117.686 0.2 1 370 171 34 GLU H H 8.043 0.02 1 371 171 34 GLU HA H 4.025 0.02 1 372 171 34 GLU HB2 H 2.203 0.02 1 373 171 34 GLU HB3 H 2.203 0.02 1 374 171 34 GLU HG2 H 2.352 0.02 1 375 171 34 GLU HG3 H 2.352 0.02 1 376 171 34 GLU C C 179.293 0.2 1 377 171 34 GLU CA C 59.543 0.2 1 378 171 34 GLU CB C 29.192 0.2 1 379 171 34 GLU CG C 36.2 0.2 1 380 171 34 GLU N N 122.917 0.2 1 381 172 35 ARG H H 7.788 0.02 1 382 172 35 ARG HA H 4.141 0.02 1 383 172 35 ARG HB2 H 2.012 0.02 1 384 172 35 ARG HB3 H 2.012 0.02 1 385 172 35 ARG HD2 H 3.157 0.02 1 386 172 35 ARG HD3 H 3.157 0.02 1 387 172 35 ARG HG2 H 1.7 0.02 1 388 172 35 ARG HG3 H 1.7 0.02 1 389 172 35 ARG C C 179.522 0.2 1 390 172 35 ARG CA C 59.346 0.2 1 391 172 35 ARG CB C 30.584 0.2 1 392 172 35 ARG CD C 43.777 0.2 1 393 172 35 ARG CG C 27.66 0.2 1 394 172 35 ARG N N 119.534 0.2 1 395 173 36 LEU H H 8.342 0.02 1 396 173 36 LEU HA H 3.998 0.02 1 397 173 36 LEU HB2 H 1.784 0.02 1 398 173 36 LEU HB3 H 1.614 0.02 1 399 173 36 LEU HD1 H 0.978 0.02 1 400 173 36 LEU HD2 H 0.937 0.02 1 401 173 36 LEU HG H 1.664 0.02 1 402 173 36 LEU C C 178.276 0.2 1 403 173 36 LEU CA C 57.04 0.2 1 404 173 36 LEU CB C 42.457 0.2 1 405 173 36 LEU CD1 C 25.467 0.2 1 406 173 36 LEU CD2 C 25.869 0.2 1 407 173 36 LEU CG C 27.437 0.02 1 408 173 36 LEU N N 121.933 0.2 1 409 174 37 LYS H H 7.508 0.02 1 410 174 37 LYS HA H 3.952 0.02 1 411 174 37 LYS HB2 H 1.914 0.02 1 412 174 37 LYS HB3 H 1.914 0.02 1 413 174 37 LYS HD2 H 1.692 0.02 1 414 174 37 LYS HD3 H 1.692 0.02 1 415 174 37 LYS HE2 H 2.974 0.02 1 416 174 37 LYS HE3 H 2.927 0.02 1 417 174 37 LYS HG2 H 1.424 0.02 2 418 174 37 LYS HG3 H 1.641 0.02 2 419 174 37 LYS C C 178.177 0.2 1 420 174 37 LYS CA C 59.463 0.2 1 421 174 37 LYS CB C 32.255 0.2 1 422 174 37 LYS CD C 29.434 0.2 1 423 174 37 LYS CE C 42.186 0.2 1 424 174 37 LYS CG C 25.403 0.2 1 425 174 37 LYS N N 117.741 0.2 1 426 175 38 ASN H H 7.091 0.02 1 427 175 38 ASN HA H 4.777 0.02 1 428 175 38 ASN HB2 H 2.809 0.02 2 429 175 38 ASN HB3 H 2.951 0.02 2 430 175 38 ASN HD21 H 7.585 0.02 2 431 175 38 ASN HD22 H 7.002 0.02 2 432 175 38 ASN C C 175.159 0.2 1 433 175 38 ASN CA C 53.997 0.2 1 434 175 38 ASN CB C 40.163 0.2 1 435 175 38 ASN N N 113.233 0.2 1 436 175 38 ASN ND2 N 113.667 0.2 1 437 176 39 GLN H H 7.619 0.02 1 438 176 39 GLN HA H 4.793 0.02 1 439 176 39 GLN HB2 H 2.185 0.02 2 440 176 39 GLN HB3 H 1.956 0.02 2 441 176 39 GLN HE21 H 7.401 0.02 2 442 176 39 GLN HE22 H 6.818 0.02 2 443 176 39 GLN HG2 H 2.36 0.02 1 444 176 39 GLN HG3 H 2.36 0.02 1 445 176 39 GLN C C 172.261 0.2 1 446 176 39 GLN CA C 53.904 0.2 1 447 176 39 GLN CB C 29.857 0.2 1 448 176 39 GLN CG C 34.352 0.2 1 449 176 39 GLN N N 119.684 0.2 1 450 176 39 GLN NE2 N 112.168 0.2 1 451 177 40 PRO HA H 4.576 0.02 1 452 177 40 PRO HB2 H 2.284 0.02 2 453 177 40 PRO HB3 H 1.868 0.02 2 454 177 40 PRO HD2 H 3.298 0.02 2 455 177 40 PRO HD3 H 3.554 0.02 2 456 177 40 PRO HG2 H 1.865 0.02 2 457 177 40 PRO HG3 H 1.995 0.02 2 458 177 40 PRO C C 177.642 0.2 1 459 177 40 PRO CA C 64.615 0.2 1 460 177 40 PRO CB C 32.226 0.2 1 461 177 40 PRO CD C 50.188 0.2 1 462 177 40 PRO CG C 27.309 0.2 1 463 178 41 ASN H H 8.465 0.02 1 464 178 41 ASN HA H 4.756 0.02 1 465 178 41 ASN HB2 H 2.749 0.02 2 466 178 41 ASN HB3 H 2.982 0.02 2 467 178 41 ASN HD21 H 7.581 0.02 2 468 178 41 ASN HD22 H 6.976 0.02 2 469 178 41 ASN C C 175.024 0.2 1 470 178 41 ASN CA C 52.394 0.2 1 471 178 41 ASN CB C 38.736 0.2 1 472 178 41 ASN N N 114.478 0.2 1 473 178 41 ASN ND2 N 113.955 0.2 1 474 179 42 ASP H H 7.452 0.02 1 475 179 42 ASP HA H 4.468 0.02 1 476 179 42 ASP HB2 H 2.616 0.02 2 477 179 42 ASP HB3 H 3.049 0.02 2 478 179 42 ASP C C 176.276 0.2 1 479 179 42 ASP CA C 55.317 0.2 1 480 179 42 ASP CB C 42.629 0.2 1 481 179 42 ASP N N 121.127 0.2 1 482 180 43 GLU H H 8.875 0.02 1 483 180 43 GLU HA H 3.933 0.02 1 484 180 43 GLU HB2 H 2.056 0.02 1 485 180 43 GLU HB3 H 2.056 0.02 1 486 180 43 GLU HG2 H 2.368 0.02 1 487 180 43 GLU HG3 H 2.368 0.02 1 488 180 43 GLU C C 179.024 0.2 1 489 180 43 GLU CA C 59.272 0.2 1 490 180 43 GLU CB C 29.841 0.2 1 491 180 43 GLU CG C 36.3 0.2 1 492 180 43 GLU N N 128.009 0.2 1 493 181 44 LYS H H 8.3 0.02 1 494 181 44 LYS HA H 4.127 0.02 1 495 181 44 LYS HB2 H 1.832 0.02 2 496 181 44 LYS HB3 H 2.108 0.02 2 497 181 44 LYS HD2 H 1.719 0.02 1 498 181 44 LYS HD3 H 1.719 0.02 1 499 181 44 LYS HE2 H 3.02 0.02 1 500 181 44 LYS HE3 H 3.02 0.02 1 501 181 44 LYS HG2 H 1.432 0.02 2 502 181 44 LYS HG3 H 1.589 0.02 2 503 181 44 LYS C C 180.148 0.2 1 504 181 44 LYS CA C 59.623 0.2 1 505 181 44 LYS CB C 31.565 0.2 1 506 181 44 LYS CD C 29.21 0.2 1 507 181 44 LYS CE C 41.992 0.2 1 508 181 44 LYS CG C 25.586 0.2 1 509 181 44 LYS N N 120.351 0.2 1 510 182 45 LEU H H 8.169 0.02 1 511 182 45 LEU HA H 4.043 0.02 1 512 182 45 LEU HB2 H 1.323 0.02 2 513 182 45 LEU HB3 H 2.091 0.02 2 514 182 45 LEU HD1 H 0.946 0.02 1 515 182 45 LEU HD2 H 0.981 0.02 1 516 182 45 LEU HG H 1.836 0.02 1 517 182 45 LEU C C 179.009 0.2 1 518 182 45 LEU CA C 57.775 0.2 1 519 182 45 LEU CB C 42.328 0.2 1 520 182 45 LEU CD1 C 26.253 0.2 1 521 182 45 LEU CD2 C 23.378 0.2 1 522 182 45 LEU CG C 27.05 0.02 1 523 182 45 LEU N N 120.344 0.2 1 524 183 46 LYS H H 7.743 0.02 1 525 183 46 LYS HA H 3.887 0.02 1 526 183 46 LYS HB2 H 1.869 0.02 1 527 183 46 LYS HB3 H 1.869 0.02 1 528 183 46 LYS HD2 H 1.667 0.02 1 529 183 46 LYS HD3 H 1.667 0.02 1 530 183 46 LYS HE2 H 2.932 0.02 1 531 183 46 LYS HE3 H 2.932 0.02 1 532 183 46 LYS HG2 H 1.377 0.02 2 533 183 46 LYS HG3 H 1.687 0.02 2 534 183 46 LYS C C 179.938 0.2 1 535 183 46 LYS CA C 60.652 0.2 1 536 183 46 LYS CB C 32.316 0.2 1 537 183 46 LYS CD C 29.669 0.2 1 538 183 46 LYS CE C 42.201 0.2 1 539 183 46 LYS CG C 26.244 0.2 1 540 183 46 LYS N N 117.803 0.2 1 541 184 47 MET H H 7.997 0.02 1 542 184 47 MET HA H 4.275 0.02 1 543 184 47 MET HB2 H 2.229 0.02 1 544 184 47 MET HB3 H 2.229 0.02 1 545 184 47 MET HE H 2.081 0.02 1 546 184 47 MET HG2 H 2.68 0.02 1 547 184 47 MET HG3 H 2.68 0.02 1 548 184 47 MET C C 178.463 0.2 1 549 184 47 MET CA C 58.274 0.2 1 550 184 47 MET CB C 31.593 0.2 1 551 184 47 MET CE C 17.08 0.2 1 552 184 47 MET CG C 32.348 0.2 1 553 184 47 MET N N 119.353 0.2 1 554 185 48 LYS H H 7.967 0.02 1 555 185 48 LYS HA H 3.841 0.02 1 556 185 48 LYS HB2 H 1.944 0.02 2 557 185 48 LYS HB3 H 2.217 0.02 2 558 185 48 LYS HD2 H 1.517 0.02 1 559 185 48 LYS HD3 H 1.517 0.02 1 560 185 48 LYS HE2 H 3.152 0.02 1 561 185 48 LYS HE3 H 3.152 0.02 1 562 185 48 LYS HG2 H 1.732 0.02 1 563 185 48 LYS HG3 H 1.732 0.02 1 564 185 48 LYS C C 178.556 0.2 1 565 185 48 LYS CA C 60.946 0.2 1 566 185 48 LYS CB C 32.976 0.2 1 567 185 48 LYS CD C 29.825 0.2 1 568 185 48 LYS CE C 42.532 0.2 1 569 185 48 LYS CG C 27.346 0.2 1 570 185 48 LYS N N 120.667 0.2 1 571 186 49 LEU H H 7.877 0.02 1 572 186 49 LEU HA H 4.165 0.02 1 573 186 49 LEU HB2 H 1.74 0.02 1 574 186 49 LEU HB3 H 1.74 0.02 1 575 186 49 LEU HD1 H 0.962 0.02 1 576 186 49 LEU HD2 H 0.926 0.02 1 577 186 49 LEU HG H 1.945 0.02 1 578 186 49 LEU C C 179.723 0.2 1 579 186 49 LEU CA C 58.236 0.2 1 580 186 49 LEU CB C 41.734 0.2 1 581 186 49 LEU CD1 C 24.432 0.2 1 582 186 49 LEU CD2 C 25.537 0.2 1 583 186 49 LEU CG C 27.1 0.2 1 584 186 49 LEU N N 117.994 0.2 1 585 187 50 LEU H H 7.703 0.02 1 586 187 50 LEU HA H 4.211 0.02 1 587 187 50 LEU HB2 H 1.884 0.02 1 588 187 50 LEU HB3 H 1.884 0.02 1 589 187 50 LEU HD1 H 0.917 0.02 1 590 187 50 LEU HD2 H 0.917 0.02 1 591 187 50 LEU HG H 1.69 0.02 1 592 187 50 LEU C C 179.82 0.2 1 593 187 50 LEU CA C 58.273 0.2 1 594 187 50 LEU CB C 41.614 0.2 1 595 187 50 LEU CD1 C 24.339 0.2 1 596 187 50 LEU CD2 C 24.726 0.2 1 597 187 50 LEU CG C 27 0.2 1 598 187 50 LEU N N 121.791 0.2 1 599 188 51 VAL H H 8.366 0.02 1 600 188 51 VAL HA H 3.777 0.02 1 601 188 51 VAL HB H 2.348 0.02 1 602 188 51 VAL HG1 H 1.054 0.02 1 603 188 51 VAL HG2 H 1.126 0.02 1 604 188 51 VAL C C 178.487 0.2 1 605 188 51 VAL CA C 66.784 0.2 1 606 188 51 VAL CB C 31.864 0.2 1 607 188 51 VAL CG1 C 21.244 0.2 1 608 188 51 VAL CG2 C 23.023 0.2 1 609 188 51 VAL N N 121.478 0.2 1 610 189 52 LEU H H 8.255 0.02 1 611 189 52 LEU HA H 3.893 0.02 1 612 189 52 LEU HB2 H 1.419 0.02 2 613 189 52 LEU HB3 H 2.024 0.02 2 614 189 52 LEU HD1 H 0.744 0.02 1 615 189 52 LEU HD2 H 0.562 0.02 1 616 189 52 LEU HG H 2.02 0.02 1 617 189 52 LEU C C 178.461 0.2 1 618 189 52 LEU CA C 58.616 0.2 1 619 189 52 LEU CB C 41.418 0.2 1 620 189 52 LEU CD1 C 25.037 0.02 1 621 189 52 LEU CD2 C 23.776 0.2 1 622 189 52 LEU CG C 27.335 0.02 1 623 189 52 LEU N N 119.283 0.2 1 624 190 53 SER H H 7.987 0.02 1 625 190 53 SER HA H 4.148 0.02 1 626 190 53 SER HB2 H 4.076 0.02 1 627 190 53 SER HB3 H 4.076 0.02 1 628 190 53 SER C C 177.369 0.2 1 629 190 53 SER CA C 61.734 0.2 1 630 190 53 SER CB C 62.958 0.2 1 631 190 53 SER N N 113.762 0.2 1 632 191 54 GLN H H 8.21 0.02 1 633 191 54 GLN HA H 4.087 0.02 1 634 191 54 GLN HB2 H 2.146 0.02 2 635 191 54 GLN HB3 H 2.146 0.02 2 636 191 54 GLN HE21 H 7.05 0.02 2 637 191 54 GLN HE22 H 6.755 0.02 2 638 191 54 GLN HG2 H 2.308 0.02 2 639 191 54 GLN HG3 H 2.505 0.02 2 640 191 54 GLN C C 179.439 0.2 1 641 191 54 GLN CA C 59.182 0.2 1 642 191 54 GLN CB C 28.034 0.2 1 643 191 54 GLN CG C 34.2 0.2 1 644 191 54 GLN N N 123.031 0.2 1 645 191 54 GLN NE2 N 109.554 0.2 1 646 192 55 LEU H H 8.665 0.02 1 647 192 55 LEU HA H 4.116 0.02 1 648 192 55 LEU HB2 H 1.31 0.02 2 649 192 55 LEU HB3 H 1.962 0.02 2 650 192 55 LEU HD1 H 0.858 0.02 1 651 192 55 LEU HD2 H 0.948 0.02 1 652 192 55 LEU HG H 2.14 0.02 1 653 192 55 LEU C C 178.501 0.2 1 654 192 55 LEU CA C 57.831 0.2 1 655 192 55 LEU CB C 41.663 0.2 1 656 192 55 LEU CD1 C 26.203 0.02 1 657 192 55 LEU CD2 C 22.373 0.2 1 658 192 55 LEU CG C 26.347 0.2 1 659 192 55 LEU N N 120.749 0.2 1 660 193 56 LYS H H 8.176 0.02 1 661 193 56 LYS HA H 3.71 0.02 1 662 193 56 LYS HB2 H 1.96 0.02 1 663 193 56 LYS HB3 H 1.96 0.02 1 664 193 56 LYS HD2 H 1.659 0.02 1 665 193 56 LYS HD3 H 1.659 0.02 1 666 193 56 LYS HE2 H 2.892 0.02 1 667 193 56 LYS HE3 H 2.892 0.02 1 668 193 56 LYS HG2 H 1.357 0.02 1 669 193 56 LYS HG3 H 1.357 0.02 1 670 193 56 LYS C C 178.049 0.2 1 671 193 56 LYS CA C 60.551 0.2 1 672 193 56 LYS CB C 32.522 0.2 1 673 193 56 LYS CD C 27.581 0.2 1 674 193 56 LYS CE C 41.705 0.2 1 675 193 56 LYS N N 118.482 0.2 1 676 194 57 GLN H H 7.507 0.02 1 677 194 57 GLN HA H 3.963 0.02 1 678 194 57 GLN HB2 H 2.214 0.02 1 679 194 57 GLN HB3 H 2.214 0.02 1 680 194 57 GLN HE21 H 7.557 0.02 2 681 194 57 GLN HE22 H 6.872 0.02 2 682 194 57 GLN HG2 H 2.457 0.02 1 683 194 57 GLN HG3 H 2.457 0.02 1 684 194 57 GLN C C 179.479 0.2 1 685 194 57 GLN CA C 58.68 0.2 1 686 194 57 GLN CB C 28.399 0.2 1 687 194 57 GLN CG C 34 0.2 1 688 194 57 GLN N N 115.339 0.2 1 689 194 57 GLN NE2 N 112.158 0.2 1 690 195 58 GLU H H 7.949 0.02 1 691 195 58 GLU HA H 4.033 0.02 1 692 195 58 GLU HB2 H 2.188 0.02 1 693 195 58 GLU HB3 H 2.188 0.02 1 694 195 58 GLU HG2 H 2.32 0.02 1 695 195 58 GLU HG3 H 2.32 0.02 1 696 195 58 GLU C C 178.309 0.2 1 697 195 58 GLU CA C 59.265 0.2 1 698 195 58 GLU CB C 29.013 0.2 1 699 195 58 GLU CG C 35.4 0.2 1 700 195 58 GLU N N 120.919 0.2 1 701 196 59 LEU H H 7.61 0.02 1 702 196 59 LEU HA H 4.168 0.02 1 703 196 59 LEU HB2 H 1.554 0.02 2 704 196 59 LEU HB3 H 1.967 0.02 2 705 196 59 LEU HD1 H 0.846 0.02 1 706 196 59 LEU HD2 H 0.882 0.02 1 707 196 59 LEU HG H 1.946 0.02 1 708 196 59 LEU C C 177.246 0.2 1 709 196 59 LEU CA C 56.084 0.2 1 710 196 59 LEU CB C 41.834 0.2 1 711 196 59 LEU CD1 C 27.438 0.2 1 712 196 59 LEU CD2 C 24.131 0.02 1 713 196 59 LEU CG C 27.111 0.02 1 714 196 59 LEU N N 115.006 0.2 1 715 197 60 LYS H H 7.415 0.02 1 716 197 60 LYS HA H 4.278 0.02 1 717 197 60 LYS HB2 H 1.993 0.02 2 718 197 60 LYS HB3 H 1.777 0.02 2 719 197 60 LYS HD2 H 1.64 0.02 1 720 197 60 LYS HD3 H 1.64 0.02 1 721 197 60 LYS HE2 H 2.926 0.02 1 722 197 60 LYS HE3 H 2.926 0.02 1 723 197 60 LYS HG2 H 1.446 0.02 2 724 197 60 LYS HG3 H 1.671 0.02 2 725 197 60 LYS C C 177.303 0.2 1 726 197 60 LYS CA C 56.447 0.2 1 727 197 60 LYS CB C 32.662 0.2 1 728 197 60 LYS CD C 29.124 0.2 1 729 197 60 LYS CE C 42.031 0.2 1 730 197 60 LYS CG C 25.315 0.2 1 731 197 60 LYS N N 116.526 0.2 1 732 198 61 ARG H H 7.399 0.02 1 733 198 61 ARG HA H 4.183 0.02 1 734 198 61 ARG HB2 H 1.862 0.02 1 735 198 61 ARG HB3 H 1.862 0.02 1 736 198 61 ARG HD2 H 3.247 0.02 1 737 198 61 ARG HD3 H 3.247 0.02 1 738 198 61 ARG HG2 H 1.709 0.02 1 739 198 61 ARG HG3 H 1.709 0.02 1 740 198 61 ARG C C 176.169 0.2 1 741 198 61 ARG CA C 57.3 0.2 1 742 198 61 ARG CB C 31.36 0.2 1 743 198 61 ARG CD C 43.6 0.2 1 744 198 61 ARG CG C 28 0.2 1 745 198 61 ARG N N 119.858 0.2 1 746 199 62 GLU H H 8.312 0.02 1 747 199 62 GLU HA H 4.202 0.02 1 748 199 62 GLU HB2 H 2.01 0.02 1 749 199 62 GLU HB3 H 2.01 0.02 1 750 199 62 GLU HG2 H 2.304 0.02 1 751 199 62 GLU HG3 H 2.304 0.02 1 752 199 62 GLU C C 176.276 0.2 1 753 199 62 GLU CA C 57.188 0.2 1 754 199 62 GLU CB C 30.584 0.2 1 755 199 62 GLU CG C 36.3 0.2 1 756 199 62 GLU N N 119.525 0.2 1 757 200 63 LYS H H 8.434 0.02 1 758 200 63 LYS HA H 4.237 0.02 1 759 200 63 LYS HB2 H 1.811 0.02 1 760 200 63 LYS HB3 H 1.811 0.02 1 761 200 63 LYS HD2 H 1.697 0.02 1 762 200 63 LYS HD3 H 1.697 0.02 1 763 200 63 LYS HE2 H 3.003 0.02 1 764 200 63 LYS HE3 H 3.003 0.02 1 765 200 63 LYS HG2 H 1.354 0.02 2 766 200 63 LYS HG3 H 1.404 0.02 2 767 200 63 LYS C C 175.629 0.2 1 768 200 63 LYS CA C 55.951 0.2 1 769 200 63 LYS CB C 31.344 0.2 1 770 200 63 LYS CD C 29.193 0.2 1 771 200 63 LYS CE C 42.204 0.2 1 772 200 63 LYS CG C 25.187 0.2 1 773 200 63 LYS N N 118.467 0.2 1 774 201 64 LEU H H 8.001 0.02 1 775 201 64 LEU HA H 4.46 0.02 1 776 201 64 LEU HB2 H 1.45 0.02 2 777 201 64 LEU HB3 H 1.647 0.02 2 778 201 64 LEU HD1 H 0.93 0.02 1 779 201 64 LEU HD2 H 0.864 0.02 1 780 201 64 LEU HG H 1.671 0.02 1 781 201 64 LEU C C 177.515 0.2 1 782 201 64 LEU CA C 54.901 0.2 1 783 201 64 LEU CB C 43.504 0.2 1 784 201 64 LEU CD1 C 25.917 0.2 1 785 201 64 LEU CD2 C 24.545 0.02 1 786 201 64 LEU CG C 27.172 0.02 1 787 201 64 LEU N N 123.829 0.2 1 788 202 65 THR H H 7.744 0.02 1 789 202 65 THR HA H 4.433 0.02 1 790 202 65 THR HB H 4.707 0.02 1 791 202 65 THR HG2 H 1.367 0.02 1 792 202 65 THR C C 174.959 0.2 1 793 202 65 THR CA C 60.14 0.2 1 794 202 65 THR CB C 71.503 0.2 1 795 202 65 THR CG2 C 22.033 0.2 1 796 202 65 THR N N 113.276 0.2 1 797 203 66 LEU H H 8.715 0.02 1 798 203 66 LEU HA H 4.133 0.02 1 799 203 66 LEU HB2 H 1.747 0.02 1 800 203 66 LEU HB3 H 1.747 0.02 1 801 203 66 LEU HD1 H 1.048 0.02 1 802 203 66 LEU HD2 H 0.99 0.02 1 803 203 66 LEU HG H 1.638 0.02 1 804 203 66 LEU C C 179.189 0.2 1 805 203 66 LEU CA C 58.303 0.2 1 806 203 66 LEU CB C 40.968 0.2 1 807 203 66 LEU CD1 C 23.442 0.2 1 808 203 66 LEU CD2 C 25.035 0.02 1 809 203 66 LEU CG C 27.25 0.02 1 810 203 66 LEU N N 121.933 0.2 1 811 204 67 ASN H H 8.468 0.02 1 812 204 67 ASN HA H 4.357 0.02 1 813 204 67 ASN HB2 H 2.764 0.02 2 814 204 67 ASN HB3 H 2.73 0.02 2 815 204 67 ASN HD21 H 7.63 0.02 2 816 204 67 ASN HD22 H 6.967 0.02 2 817 204 67 ASN C C 177.736 0.2 1 818 204 67 ASN CA C 56.552 0.2 1 819 204 67 ASN CB C 38.084 0.2 1 820 204 67 ASN N N 115.863 0.2 1 821 204 67 ASN ND2 N 113.007 0.2 1 822 205 68 ALA H H 7.832 0.02 1 823 205 68 ALA HA H 4.175 0.02 1 824 205 68 ALA HB H 1.565 0.02 1 825 205 68 ALA C C 180.825 0.2 1 826 205 68 ALA CA C 55.224 0.2 1 827 205 68 ALA CB C 18.741 0.2 1 828 205 68 ALA N N 123.664 0.2 1 829 206 69 LEU H H 8.185 0.02 1 830 206 69 LEU HA H 3.877 0.02 1 831 206 69 LEU HB2 H 1.312 0.02 2 832 206 69 LEU HB3 H 2.015 0.02 2 833 206 69 LEU HD1 H 0.83 0.02 1 834 206 69 LEU HD2 H 0.738 0.02 1 835 206 69 LEU HG H 1.728 0.02 1 836 206 69 LEU C C 179.233 0.2 1 837 206 69 LEU CA C 58.228 0.2 1 838 206 69 LEU CB C 41.544 0.2 1 839 206 69 LEU CD1 C 25.719 0.02 1 840 206 69 LEU CD2 C 24.556 0.2 1 841 206 69 LEU CG C 26.395 0.02 1 842 206 69 LEU N N 119.641 0.2 1 843 207 70 LYS H H 8.56 0.02 1 844 207 70 LYS HA H 4.003 0.02 1 845 207 70 LYS HB2 H 1.981 0.02 1 846 207 70 LYS HB3 H 1.981 0.02 1 847 207 70 LYS HD2 H 1.729 0.02 1 848 207 70 LYS HD3 H 1.729 0.02 1 849 207 70 LYS HE2 H 3.175 0.02 1 850 207 70 LYS HE3 H 3.175 0.02 1 851 207 70 LYS HG2 H 1.446 0.02 2 852 207 70 LYS HG3 H 1.675 0.02 2 853 207 70 LYS C C 179.339 0.2 1 854 207 70 LYS CA C 59.881 0.2 1 855 207 70 LYS CB C 32.095 0.2 1 856 207 70 LYS CD C 29.427 0.2 1 857 207 70 LYS CE C 43.209 0.2 1 858 207 70 LYS CG C 26.259 0.2 1 859 207 70 LYS N N 118.971 0.2 1 860 208 71 GLN H H 7.879 0.02 1 861 208 71 GLN HA H 4.139 0.02 1 862 208 71 GLN HB2 H 2.246 0.02 1 863 208 71 GLN HB3 H 2.246 0.02 1 864 208 71 GLN HE21 H 7.378 0.02 2 865 208 71 GLN HE22 H 6.783 0.02 2 866 208 71 GLN HG2 H 2.475 0.02 1 867 208 71 GLN HG3 H 2.475 0.02 1 868 208 71 GLN C C 179.034 0.2 1 869 208 71 GLN CA C 59.2 0.2 1 870 208 71 GLN CB C 28.078 0.2 1 871 208 71 GLN CG C 34.197 0.2 1 872 208 71 GLN N N 119.825 0.2 1 873 208 71 GLN NE2 N 111.846 0.2 1 874 209 72 VAL H H 7.867 0.02 1 875 209 72 VAL HA H 3.7 0.02 1 876 209 72 VAL HB H 2.303 0.02 1 877 209 72 VAL HG1 H 1.005 0.02 1 878 209 72 VAL HG2 H 1.088 0.02 1 879 209 72 VAL C C 177.375 0.2 1 880 209 72 VAL CA C 67.123 0.2 1 881 209 72 VAL CB C 31.276 0.2 1 882 209 72 VAL CG1 C 22.436 0.2 1 883 209 72 VAL CG2 C 22.396 0.2 1 884 209 72 VAL N N 121.324 0.2 1 885 210 73 GLN H H 8.28 0.02 1 886 210 73 GLN HA H 3.816 0.02 1 887 210 73 GLN HB2 H 1.961 0.02 1 888 210 73 GLN HB3 H 1.961 0.02 1 889 210 73 GLN HE21 H 7.847 0.02 2 890 210 73 GLN HE22 H 7.239 0.02 2 891 210 73 GLN HG2 H 2.392 0.02 1 892 210 73 GLN HG3 H 2.392 0.02 1 893 210 73 GLN C C 178.184 0.2 1 894 210 73 GLN CA C 59.772 0.2 1 895 210 73 GLN CB C 29.854 0.2 1 896 210 73 GLN CG C 33.945 0.2 1 897 210 73 GLN N N 119 0.2 1 898 210 73 GLN NE2 N 112.117 0.2 1 899 211 74 MET H H 8.375 0.02 1 900 211 74 MET HA H 4.189 0.02 1 901 211 74 MET HB2 H 2.247 0.02 1 902 211 74 MET HB3 H 2.247 0.02 1 903 211 74 MET HE H 2.081 0.02 1 904 211 74 MET HG2 H 2.736 0.02 2 905 211 74 MET HG3 H 2.649 0.02 2 906 211 74 MET C C 178.614 0.2 1 907 211 74 MET CA C 58.333 0.2 1 908 211 74 MET CB C 31.89 0.2 1 909 211 74 MET CE C 17.08 0.2 1 910 211 74 MET CG C 32.342 0.2 1 911 211 74 MET N N 118.176 0.2 1 912 212 75 GLN H H 8.259 0.02 1 913 212 75 GLN HA H 4.193 0.02 1 914 212 75 GLN HB2 H 2.12 0.02 1 915 212 75 GLN HB3 H 2.12 0.02 1 916 212 75 GLN HE21 H 7.451 0.02 2 917 212 75 GLN HE22 H 6.674 0.02 2 918 212 75 GLN HG2 H 2.52 0.02 2 919 212 75 GLN HG3 H 2.346 0.02 2 920 212 75 GLN C C 178.851 0.2 1 921 212 75 GLN CA C 59.468 0.2 1 922 212 75 GLN CB C 28.881 0.2 1 923 212 75 GLN CG C 34.6 0.2 1 924 212 75 GLN N N 121.363 0.2 1 925 212 75 GLN NE2 N 110.551 0.2 1 926 213 76 LEU H H 8.433 0.02 1 927 213 76 LEU HA H 4.088 0.02 1 928 213 76 LEU HB2 H 1.53 0.02 2 929 213 76 LEU HB3 H 1.93 0.02 2 930 213 76 LEU HD1 H 0.834 0.02 1 931 213 76 LEU HD2 H 0.731 0.02 1 932 213 76 LEU HG H 1.77 0.02 1 933 213 76 LEU C C 179.079 0.2 1 934 213 76 LEU CA C 58.338 0.2 1 935 213 76 LEU CB C 42.241 0.2 1 936 213 76 LEU CD1 C 26.128 0.2 1 937 213 76 LEU CD2 C 24.464 0.02 1 938 213 76 LEU CG C 26.885 0.2 1 939 213 76 LEU N N 118.821 0.2 1 940 214 77 ARG H H 7.802 0.02 1 941 214 77 ARG HA H 4.005 0.02 1 942 214 77 ARG HB2 H 1.988 0.02 1 943 214 77 ARG HB3 H 1.988 0.02 1 944 214 77 ARG HD2 H 3.163 0.02 1 945 214 77 ARG HD3 H 3.163 0.02 1 946 214 77 ARG HG2 H 1.708 0.02 1 947 214 77 ARG HG3 H 1.708 0.02 1 948 214 77 ARG C C 178.169 0.2 1 949 214 77 ARG CA C 58.749 0.2 1 950 214 77 ARG CB C 29.956 0.2 1 951 214 77 ARG CD C 43.687 0.2 1 952 214 77 ARG CG C 27.769 0.2 1 953 214 77 ARG N N 117.581 0.2 1 954 215 78 GLN H H 8.113 0.02 1 955 215 78 GLN HA H 4.121 0.02 1 956 215 78 GLN HB2 H 2.229 0.02 1 957 215 78 GLN HB3 H 2.229 0.02 1 958 215 78 GLN HE21 H 7.344 0.02 2 959 215 78 GLN HE22 H 6.78 0.02 2 960 215 78 GLN HG2 H 2.547 0.02 2 961 215 78 GLN HG3 H 2.392 0.02 2 962 215 78 GLN C C 178.499 0.2 1 963 215 78 GLN CA C 58.508 0.2 1 964 215 78 GLN CB C 29.006 0.2 1 965 215 78 GLN CG C 34.237 0.2 1 966 215 78 GLN N N 117.637 0.2 1 967 215 78 GLN NE2 N 111.195 0.2 1 968 216 79 VAL H H 8.207 0.02 1 969 216 79 VAL HA H 3.717 0.02 1 970 216 79 VAL HB H 1.924 0.02 1 971 216 79 VAL HG1 H 0.286 0.02 1 972 216 79 VAL HG2 H 1.064 0.02 1 973 216 79 VAL C C 177.228 0.2 1 974 216 79 VAL CA C 65.093 0.2 1 975 216 79 VAL CB C 32.654 0.2 1 976 216 79 VAL CG1 C 22.198 0.2 1 977 216 79 VAL CG2 C 23.091 0.2 1 978 216 79 VAL N N 118.145 0.2 1 979 217 80 PHE H H 7.955 0.02 1 980 217 80 PHE HA H 4.782 0.02 1 981 217 80 PHE HB2 H 3.438 0.02 2 982 217 80 PHE HB3 H 3.049 0.02 2 983 217 80 PHE HD1 H 7.605 0.02 1 984 217 80 PHE HD2 H 7.605 0.02 1 985 217 80 PHE HE1 H 7.158 0.02 1 986 217 80 PHE HE2 H 7.158 0.02 1 987 217 80 PHE HZ H 7.322 0.02 1 988 217 80 PHE C C 176.977 0.2 1 989 217 80 PHE CA C 58.458 0.2 1 990 217 80 PHE CB C 38.611 0.2 1 991 217 80 PHE CD1 C 132.714 0.2 1 992 217 80 PHE CD2 C 132.714 0.2 1 993 217 80 PHE CE1 C 130.522 0.2 1 994 217 80 PHE CE2 C 130.522 0.2 1 995 217 80 PHE CZ C 129.456 0.2 1 996 217 80 PHE N N 115.67 0.2 1 997 218 81 SER H H 7.556 0.02 1 998 218 81 SER HA H 4.327 0.02 1 999 218 81 SER HB2 H 4.08 0.02 1 1000 218 81 SER HB3 H 4.08 0.02 1 1001 218 81 SER C C 176.624 0.2 1 1002 218 81 SER CA C 61.779 0.2 1 1003 218 81 SER CB C 63 0.2 1 1004 218 81 SER N N 116.398 0.2 1 1005 219 82 GLN H H 8.453 0.02 1 1006 219 82 GLN HA H 4.294 0.02 1 1007 219 82 GLN HB2 H 2.02 0.02 2 1008 219 82 GLN HB3 H 2.136 0.02 2 1009 219 82 GLN HE21 H 7.455 0.02 2 1010 219 82 GLN HE22 H 6.807 0.02 2 1011 219 82 GLN HG2 H 2.418 0.02 1 1012 219 82 GLN HG3 H 2.418 0.02 1 1013 219 82 GLN C C 177.055 0.2 1 1014 219 82 GLN CA C 57.801 0.2 1 1015 219 82 GLN CB C 28.517 0.2 1 1016 219 82 GLN CG C 34.4 0.2 1 1017 219 82 GLN N N 120.348 0.2 1 1018 219 82 GLN NE2 N 111.948 0.2 1 1019 220 83 ASP H H 7.915 0.02 1 1020 220 83 ASP HA H 4.645 0.02 1 1021 220 83 ASP HB2 H 2.698 0.02 1 1022 220 83 ASP HB3 H 2.698 0.02 1 1023 220 83 ASP C C 176.995 0.2 1 1024 220 83 ASP CA C 56.021 0.2 1 1025 220 83 ASP CB C 42.022 0.2 1 1026 220 83 ASP N N 120.156 0.2 1 1027 221 84 GLN H H 8.225 0.02 1 1028 221 84 GLN HA H 4.065 0.02 1 1029 221 84 GLN HB2 H 2.13 0.02 1 1030 221 84 GLN HB3 H 2.13 0.02 1 1031 221 84 GLN HE21 H 7.526 0.02 2 1032 221 84 GLN HE22 H 6.847 0.02 2 1033 221 84 GLN HG2 H 2.405 0.02 1 1034 221 84 GLN HG3 H 2.405 0.02 1 1035 221 84 GLN C C 177.601 0.2 1 1036 221 84 GLN CA C 58.19 0.2 1 1037 221 84 GLN CB C 28.861 0.2 1 1038 221 84 GLN CG C 34.76 0.2 1 1039 221 84 GLN N N 118.477 0.2 1 1040 221 84 GLN NE2 N 112.474 0.2 1 1041 222 85 GLN H H 8.17 0.02 1 1042 222 85 GLN HA H 4.151 0.02 1 1043 222 85 GLN HB2 H 2.139 0.02 1 1044 222 85 GLN HB3 H 2.139 0.02 1 1045 222 85 GLN HE21 H 7.492 0.02 2 1046 222 85 GLN HE22 H 6.82 0.02 2 1047 222 85 GLN HG2 H 2.396 0.02 1 1048 222 85 GLN HG3 H 2.396 0.02 1 1049 222 85 GLN C C 177.68 0.2 1 1050 222 85 GLN CA C 58.268 0.2 1 1051 222 85 GLN CB C 28.528 0.2 1 1052 222 85 GLN CG C 34.1 0.2 1 1053 222 85 GLN N N 119.493 0.2 1 1054 222 85 GLN NE2 N 112.348 0.2 1 1055 223 86 VAL H H 7.739 0.02 1 1056 223 86 VAL HA H 3.927 0.02 1 1057 223 86 VAL HB H 2.228 0.02 1 1058 223 86 VAL HG1 H 0.937 0.02 1 1059 223 86 VAL HG2 H 1.023 0.02 1 1060 223 86 VAL C C 177.532 0.2 1 1061 223 86 VAL CA C 64.479 0.2 1 1062 223 86 VAL CB C 31.972 0.2 1 1063 223 86 VAL CG1 C 21.303 0.2 1 1064 223 86 VAL CG2 C 21.878 0.2 1 1065 223 86 VAL N N 119.555 0.2 1 1066 224 87 LEU H H 7.857 0.02 1 1067 224 87 LEU HA H 4.128 0.02 1 1068 224 87 LEU HB2 H 1.81 0.02 2 1069 224 87 LEU HB3 H 1.545 0.02 2 1070 224 87 LEU HD1 H 0.792 0.02 1 1071 224 87 LEU HD2 H 0.831 0.02 1 1072 224 87 LEU HG H 1.729 0.02 1 1073 224 87 LEU C C 178.362 0.2 1 1074 224 87 LEU CA C 56.497 0.2 1 1075 224 87 LEU CB C 41.824 0.2 1 1076 224 87 LEU CD1 C 25.519 0.2 1 1077 224 87 LEU CD2 C 23.301 0.2 1 1078 224 87 LEU CG C 26.78 0.02 1 1079 224 87 LEU N N 120.926 0.2 1 1080 225 88 GLN H H 8.001 0.02 1 1081 225 88 GLN HA H 4.157 0.02 1 1082 225 88 GLN HB2 H 2.098 0.02 1 1083 225 88 GLN HB3 H 2.098 0.02 1 1084 225 88 GLN HE21 H 7.507 0.02 2 1085 225 88 GLN HE22 H 6.833 0.02 2 1086 225 88 GLN HG2 H 2.401 0.02 1 1087 225 88 GLN HG3 H 2.401 0.02 1 1088 225 88 GLN C C 177.274 0.2 1 1089 225 88 GLN CA C 57.218 0.2 1 1090 225 88 GLN CB C 28.951 0.2 1 1091 225 88 GLN CG C 34.3 0.2 1 1092 225 88 GLN N N 118.809 0.2 1 1093 225 88 GLN NE2 N 112.451 0.2 1 1094 226 89 GLU H H 8.143 0.02 1 1095 226 89 GLU HA H 4.159 0.02 1 1096 226 89 GLU HB2 H 2.073 0.02 1 1097 226 89 GLU HB3 H 2.073 0.02 1 1098 226 89 GLU HG2 H 2.349 0.02 1 1099 226 89 GLU HG3 H 2.349 0.02 1 1100 226 89 GLU C C 177.509 0.2 1 1101 226 89 GLU CA C 57.944 0.2 1 1102 226 89 GLU CB C 30.024 0.2 1 1103 226 89 GLU CG C 36.593 0.2 1 1104 226 89 GLU N N 120.836 0.2 1 1105 227 90 ARG H H 8.139 0.02 1 1106 227 90 ARG HA H 4.246 0.02 1 1107 227 90 ARG HB2 H 1.881 0.02 1 1108 227 90 ARG HB3 H 1.881 0.02 1 1109 227 90 ARG HD2 H 3.169 0.02 1 1110 227 90 ARG HD3 H 3.169 0.02 1 1111 227 90 ARG HG2 H 1.713 0.02 1 1112 227 90 ARG HG3 H 1.713 0.02 1 1113 227 90 ARG C C 177.032 0.2 1 1114 227 90 ARG CA C 57.239 0.2 1 1115 227 90 ARG CB C 30.691 0.2 1 1116 227 90 ARG CD C 43.713 0.2 1 1117 227 90 ARG CG C 27.716 0.2 1 1118 227 90 ARG N N 119.581 0.2 1 1119 228 91 MET H H 8.047 0.02 1 1120 228 91 MET HA H 4.368 0.02 1 1121 228 91 MET HB2 H 2.015 0.02 1 1122 228 91 MET HB3 H 2.015 0.02 1 1123 228 91 MET HE H 2.081 0.02 1 1124 228 91 MET HG2 H 2.582 0.02 2 1125 228 91 MET HG3 H 2.518 0.02 2 1126 228 91 MET C C 176.351 0.2 1 1127 228 91 MET CA C 56.131 0.2 1 1128 228 91 MET CB C 32.72 0.2 1 1129 228 91 MET CE C 17.08 0.2 1 1130 228 91 MET CG C 32.566 0.2 1 1131 228 91 MET N N 119.391 0.2 1 1132 229 92 ARG H H 7.981 0.02 1 1133 229 92 ARG HA H 4.21 0.02 1 1134 229 92 ARG HB2 H 1.694 0.02 1 1135 229 92 ARG HB3 H 1.694 0.02 1 1136 229 92 ARG HD2 H 3.129 0.02 1 1137 229 92 ARG HD3 H 3.129 0.02 1 1138 229 92 ARG HG2 H 1.446 0.02 2 1139 229 92 ARG HG3 H 1.517 0.02 2 1140 229 92 ARG C C 176.066 0.2 1 1141 229 92 ARG CA C 56.646 0.2 1 1142 229 92 ARG CB C 30.721 0.2 1 1143 229 92 ARG CD C 43.505 0.2 1 1144 229 92 ARG CG C 27.294 0.2 1 1145 229 92 ARG N N 120.762 0.2 1 1146 230 93 TYR H H 8.039 0.02 1 1147 230 93 TYR HA H 4.49 0.02 1 1148 230 93 TYR HB2 H 3.007 0.02 2 1149 230 93 TYR HB3 H 2.886 0.02 2 1150 230 93 TYR HD1 H 7.063 0.02 1 1151 230 93 TYR HD2 H 7.063 0.02 1 1152 230 93 TYR HE1 H 6.779 0.02 1 1153 230 93 TYR HE2 H 6.779 0.02 1 1154 230 93 TYR C C 175.636 0.2 1 1155 230 93 TYR CA C 58.103 0.2 1 1156 230 93 TYR CB C 38.79 0.2 1 1157 230 93 TYR CD1 C 132.985 0.2 1 1158 230 93 TYR CD2 C 132.985 0.2 1 1159 230 93 TYR CE1 C 118.093 0.2 1 1160 230 93 TYR CE2 C 118.093 0.2 1 1161 230 93 TYR N N 120.111 0.2 1 1162 231 94 HIS H H 8.115 0.02 1 1163 231 94 HIS HA H 4.57 0.02 1 1164 231 94 HIS HB2 H 3.169 0.02 2 1165 231 94 HIS HB3 H 3.066 0.02 2 1166 231 94 HIS HD2 H 7.107 0.02 1 1167 231 94 HIS C C 174.05 0.2 1 1168 231 94 HIS CA C 55.748 0.2 1 1169 231 94 HIS CB C 30.075 0.2 1 1170 231 94 HIS CD2 C 120.071 0.2 1 1171 231 94 HIS N N 120.055 0.2 1 1172 232 95 GLU H H 8.284 0.02 1 1173 232 95 GLU HA H 4.242 0.02 1 1174 232 95 GLU HB2 H 2.054 0.02 2 1175 232 95 GLU HB3 H 1.893 0.02 2 1176 232 95 GLU HG2 H 2.218 0.02 1 1177 232 95 GLU HG3 H 2.218 0.02 1 1178 232 95 GLU C C 175.315 0.2 1 1179 232 95 GLU CA C 56.632 0.2 1 1180 232 95 GLU CB C 30.545 0.2 1 1181 232 95 GLU CG C 36.363 0.2 1 1182 232 95 GLU N N 122.201 0.2 1 1183 233 96 LEU H H 7.847 0.02 1 1184 233 96 LEU HA H 4.155 0.02 1 1185 233 96 LEU HB2 H 1.577 0.02 1 1186 233 96 LEU HB3 H 1.577 0.02 1 1187 233 96 LEU HD1 H 0.906 0.02 1 1188 233 96 LEU HD2 H 0.862 0.02 1 1189 233 96 LEU HG H 1.6 0.02 1 1190 233 96 LEU C C 182.372 0.2 1 1191 233 96 LEU CA C 56.745 0.2 1 1192 233 96 LEU CB C 43.503 0.2 1 1193 233 96 LEU CD1 C 25.22 0.2 1 1194 233 96 LEU CD2 C 23.708 0.2 1 1195 233 96 LEU CG C 27.099 0.2 1 1196 233 96 LEU N N 128.664 0.2 1 stop_ save_