data_17703 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and stereo-specific Ile(d1), Leu, Val methyl sidechain chemical shift assignments of RDE-4 (1-243) ; _BMRB_accession_number 17703 _BMRB_flat_file_name bmr17703.str _Entry_type original _Submission_date 2011-06-14 _Accession_date 2011-06-14 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone and stereo-specific Ile(d1), Leu, Val methyl sidechain chemical shift assignments of RDE-4 (1-243)' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chiliveri 'Sai Chaitanya' . . 2 Kumar Sonu . . 3 Marelli 'Udaya Kiran' . . 4 Deshmukh Mandar V. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 306 "13C chemical shifts" 775 "15N chemical shifts" 229 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-01-24 update author 'update entry citation' 2012-06-05 update author 'update sample and condition' 2011-10-26 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone and sidechain methyl Ile (1), Leu and Val chemical shift assignments of RDE-4 (1-243), an RNA interference initiation protein in C. elegans.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22002349 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chiliveri 'Sai Chaitanya' . . 2 Kumar Sonu . . 3 Marelli 'Udaya Kiran' . . 4 Deshmukh Mandar V. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 6 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 143 _Page_last 146 _Year 2012 _Details . loop_ _Keyword dsRBD RDE-4 'RNA binding proteins' RNAi stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RDE-4DC _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RDE-4DC $RDE-4DC 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_RDE-4DC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RDE-4DC _Molecular_mass . _Mol_thiol_state 'all free' _Details 'The N-terminal region of RDE-4 which contains two dsRBDs and remains monomeric in solution.' ############################## # Polymer residue sequence # ############################## _Residue_count 251 _Mol_residue_sequence ; MDLTKLTFESVFGGSDVPMK PSRSEDNKTPRNRTDLEMFL KKTPLMVLEEAAKAVYQKTP TWGTVELPEGFEMTLILNEI TVKGQATSKKAARQKAAVEY LRKVVEKGKHEIFFIPGTTK EEALSNIDQISDKAEELKRS TSDAVQDNDNDDSIPTSAEF PPGISPTENWVGKLQEKSQK SKLQAPIYEDSKNERTERFL VICTMCNQKTRGIRSKKKDA KNLAAWLMWKALEDGIESLE SYDLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 LEU 4 THR 5 LYS 6 LEU 7 THR 8 PHE 9 GLU 10 SER 11 VAL 12 PHE 13 GLY 14 GLY 15 SER 16 ASP 17 VAL 18 PRO 19 MET 20 LYS 21 PRO 22 SER 23 ARG 24 SER 25 GLU 26 ASP 27 ASN 28 LYS 29 THR 30 PRO 31 ARG 32 ASN 33 ARG 34 THR 35 ASP 36 LEU 37 GLU 38 MET 39 PHE 40 LEU 41 LYS 42 LYS 43 THR 44 PRO 45 LEU 46 MET 47 VAL 48 LEU 49 GLU 50 GLU 51 ALA 52 ALA 53 LYS 54 ALA 55 VAL 56 TYR 57 GLN 58 LYS 59 THR 60 PRO 61 THR 62 TRP 63 GLY 64 THR 65 VAL 66 GLU 67 LEU 68 PRO 69 GLU 70 GLY 71 PHE 72 GLU 73 MET 74 THR 75 LEU 76 ILE 77 LEU 78 ASN 79 GLU 80 ILE 81 THR 82 VAL 83 LYS 84 GLY 85 GLN 86 ALA 87 THR 88 SER 89 LYS 90 LYS 91 ALA 92 ALA 93 ARG 94 GLN 95 LYS 96 ALA 97 ALA 98 VAL 99 GLU 100 TYR 101 LEU 102 ARG 103 LYS 104 VAL 105 VAL 106 GLU 107 LYS 108 GLY 109 LYS 110 HIS 111 GLU 112 ILE 113 PHE 114 PHE 115 ILE 116 PRO 117 GLY 118 THR 119 THR 120 LYS 121 GLU 122 GLU 123 ALA 124 LEU 125 SER 126 ASN 127 ILE 128 ASP 129 GLN 130 ILE 131 SER 132 ASP 133 LYS 134 ALA 135 GLU 136 GLU 137 LEU 138 LYS 139 ARG 140 SER 141 THR 142 SER 143 ASP 144 ALA 145 VAL 146 GLN 147 ASP 148 ASN 149 ASP 150 ASN 151 ASP 152 ASP 153 SER 154 ILE 155 PRO 156 THR 157 SER 158 ALA 159 GLU 160 PHE 161 PRO 162 PRO 163 GLY 164 ILE 165 SER 166 PRO 167 THR 168 GLU 169 ASN 170 TRP 171 VAL 172 GLY 173 LYS 174 LEU 175 GLN 176 GLU 177 LYS 178 SER 179 GLN 180 LYS 181 SER 182 LYS 183 LEU 184 GLN 185 ALA 186 PRO 187 ILE 188 TYR 189 GLU 190 ASP 191 SER 192 LYS 193 ASN 194 GLU 195 ARG 196 THR 197 GLU 198 ARG 199 PHE 200 LEU 201 VAL 202 ILE 203 CYS 204 THR 205 MET 206 CYS 207 ASN 208 GLN 209 LYS 210 THR 211 ARG 212 GLY 213 ILE 214 ARG 215 SER 216 LYS 217 LYS 218 LYS 219 ASP 220 ALA 221 LYS 222 ASN 223 LEU 224 ALA 225 ALA 226 TRP 227 LEU 228 MET 229 TRP 230 LYS 231 ALA 232 LEU 233 GLU 234 ASP 235 GLY 236 ILE 237 GLU 238 SER 239 LEU 240 GLU 241 SER 242 TYR 243 ASP 244 LEU 245 GLU 246 HIS 247 HIS 248 HIS 249 HIS 250 HIS 251 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-16 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 EMBL CAA83012 "Uncharacterized protein CELE_T20G5.11 [Caenorhabditis elegans]" 97.21 385 99.59 100.00 3.68e-176 GB AAL61544 "RNA interference promoting factor [Caenorhabditis elegans]" 97.21 385 99.59 100.00 3.68e-176 REF NP_499265 "Uncharacterized protein CELE_T20G5.11 [Caenorhabditis elegans]" 97.21 385 99.59 100.00 3.68e-176 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 $RDE-4DC nematode 6239 Eukaryota Metazoa Caenorhabditis elegans rde-4 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 $RDE-4DC 'recombinant technology' . Escherichia coli . pET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_U-15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RDE-4DC 200 uM '[U-100% 15N]' $RDE-4DC 200 uM [U-15N]-Lys $RDE-4DC 200 uM [U-15N]-(-R)Arg H20 90 % 'natural abundance' D20 10 % 'natural abundance' 'Potassium phosphate buffer' 50 mM 'natural abundance' Na2SO4 100 mM 'natural abundance' stop_ save_ save_13C_15N_2H _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RDE-4DC 500 uM '[U-100% 13C; U-100% 15N; U-80% 2H]' H20 90 % 'natural abundance' D20 10 % 'natural abundance' 'Potassium phosphate buffer' 50 mM 'natural abundance' Na2SO4 100 mM 'natural abundance' stop_ save_ save_U-13C_ILV _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RDE-4DC 500 uM '[U-13C Ile, Leu, Val (rest 12C); U-15N; U-2H]' H20 90 % 'natural abundance' D20 10 % 'natural abundance' 'Potassium phosphate buffer' 50 mM 'natural abundance' Na2SO4 100 mM 'natural abundance' stop_ save_ save_U-13C_Me_only_ILV _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RDE-4DC 500 uM '[U-13C,1H Me only Ile, Leu, Val (rest 12C,2H); 15N,1H, Phe; U-15N; U-2H]' $RDE-4DC 500 uM '[U-13C,1H Me only Ile, Leu, Val (rest 12C,2H); 15N,1H, Tyr; U-15N; U-2H]' H20 90 % 'natural abundance' D20 10 % 'natural abundance' 'Potassium phosphate buffer' 50 mM 'natural abundance' Na2SO4 100 mM 'natural abundance' stop_ save_ save_10%13C _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RDE-4DC 200 uM '[U-10% 13C]' H20 90 % 'natural abundance' D20 10 % 'natural abundance' 'Potassium phosphate buffer' 50 mM 'natural abundance' Na2SO4 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $U-15N save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $13C_15N_2H save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $13C_15N_2H save_ save_3D_HN(CA)CB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CB' _Sample_label $13C_15N_2H save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $13C_15N_2H save_ save_3D_HN(COCA)CB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $13C_15N_2H save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $13C_15N_2H save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $U-13C_ILV save_ save_3D_(H)C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)C(CO)NH' _Sample_label $U-13C_ILV save_ save_2D_1H-13C_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $10%13C save_ save_3D_1H-13C_NOESY-HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY-HSQC' _Sample_label $U-13C_Me_only_ILV save_ save_3D_1H-15N_HMQC-NOESY-HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N HMQC-NOESY-HSQC' _Sample_label $13C_15N_2H save_ save_2D_1H-13C_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $U-13C_Me_only_ILV save_ save_3D_1H-15N_NOESY-HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY-HSQC' _Sample_label $U-15N 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' 150 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details '1H with DSS and heteronuclei with indirect referencing.' loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HN(CA)CB' '3D HN(CO)CA' '3D HN(COCA)CB' '3D HN(CA)CO' '3D H(CCO)NH' '3D (H)C(CO)NH' '2D 1H-13C HSQC' '3D 1H-13C NOESY-HSQC' '3D 1H-15N HMQC-NOESY-HSQC' '3D 1H-15N NOESY-HSQC' stop_ loop_ _Sample_label $U-15N $13C_15N_2H $U-13C_ILV $10%13C $U-13C_Me_only_ILV stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name RDE-4DC _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 2 2 ASP C C 175.988 0.300 1 2 2 2 ASP CA C 53.203 0.300 1 3 2 2 ASP CB C 40.154 0.300 1 4 3 3 LEU H H 8.559 0.020 1 5 3 3 LEU C C 177.901 0.300 1 6 3 3 LEU CA C 55.018 0.300 1 7 3 3 LEU CB C 40.437 0.300 1 8 3 3 LEU N N 125.503 0.300 1 9 4 4 THR H H 8.241 0.020 1 10 4 4 THR C C 174.724 0.300 1 11 4 4 THR CA C 62.489 0.300 1 12 4 4 THR CB C 68.703 0.300 1 13 4 4 THR N N 114.697 0.300 1 14 5 5 LYS H H 7.896 0.020 1 15 5 5 LYS C C 176.227 0.300 1 16 5 5 LYS CA C 55.621 0.300 1 17 5 5 LYS CB C 31.512 0.300 1 18 5 5 LYS N N 123.285 0.300 1 19 6 6 LEU H H 7.952 0.020 1 20 6 6 LEU C C 177.127 0.300 1 21 6 6 LEU CA C 54.624 0.300 1 22 6 6 LEU CB C 41.051 0.300 1 23 6 6 LEU N N 123.293 0.300 1 24 7 7 THR H H 7.881 0.020 1 25 7 7 THR C C 174.072 0.300 1 26 7 7 THR CA C 60.977 0.300 1 27 7 7 THR CB C 69.199 0.300 1 28 7 7 THR N N 114.868 0.300 1 29 8 8 PHE H H 8.187 0.020 1 30 8 8 PHE C C 175.547 0.300 1 31 8 8 PHE CA C 57.470 0.300 1 32 8 8 PHE CB C 38.737 0.300 1 33 8 8 PHE N N 122.698 0.300 1 34 9 9 GLU H H 8.322 0.020 1 35 9 9 GLU C C 176.236 0.300 1 36 9 9 GLU CA C 56.131 0.300 1 37 9 9 GLU CB C 29.101 0.300 1 38 9 9 GLU N N 122.332 0.300 1 39 10 10 SER H H 8.170 0.020 1 40 10 10 SER C C 174.398 0.300 1 41 10 10 SER CA C 57.924 0.300 1 42 10 10 SER CB C 63.319 0.300 1 43 10 10 SER N N 117.453 0.300 1 44 11 11 VAL H H 7.963 0.020 1 45 11 11 VAL HG1 H 0.640 0.020 1 46 11 11 VAL HG2 H 0.704 0.020 1 47 11 11 VAL C C 175.859 0.300 1 48 11 11 VAL CA C 61.854 0.300 1 49 11 11 VAL CB C 31.370 0.300 1 50 11 11 VAL CG1 C 20.615 0.300 1 51 11 11 VAL CG2 C 20.003 0.300 1 52 11 11 VAL N N 122.156 0.300 1 53 12 12 PHE H H 8.235 0.020 1 54 12 12 PHE HD1 H 7.194 0.020 1 55 12 12 PHE HE1 H 7.249 0.020 1 56 12 12 PHE HZ H 7.161 0.020 1 57 12 12 PHE C C 176.162 0.300 1 58 12 12 PHE CA C 57.253 0.300 1 59 12 12 PHE CB C 38.495 0.300 1 60 12 12 PHE N N 123.643 0.300 1 61 13 13 GLY H H 8.196 0.020 1 62 13 13 GLY C C 174.313 0.300 1 63 13 13 GLY CA C 44.714 0.300 1 64 13 13 GLY N N 111.925 0.300 1 65 14 14 GLY H H 7.887 0.020 1 66 14 14 GLY C C 173.930 0.300 1 67 14 14 GLY CA C 44.550 0.300 1 68 14 14 GLY N N 109.260 0.300 1 69 15 15 SER H H 8.175 0.020 1 70 15 15 SER C C 173.948 0.300 1 71 15 15 SER CA C 57.726 0.300 1 72 15 15 SER CB C 63.293 0.300 1 73 15 15 SER N N 116.147 0.300 1 74 16 16 ASP H H 8.383 0.020 1 75 16 16 ASP C C 175.476 0.300 1 76 16 16 ASP CA C 53.682 0.300 1 77 16 16 ASP CB C 40.154 0.300 1 78 16 16 ASP N N 123.055 0.300 1 79 17 17 VAL H H 7.890 0.020 1 80 17 17 VAL HG1 H 0.840 0.020 1 81 17 17 VAL HG2 H 0.808 0.020 1 82 17 17 VAL C C 174.157 0.300 1 83 17 17 VAL CA C 59.166 0.300 1 84 17 17 VAL CB C 31.370 0.300 1 85 17 17 VAL CG1 C 20.725 0.300 1 86 17 17 VAL CG2 C 19.906 0.300 1 87 17 17 VAL N N 121.964 0.300 1 88 18 18 PRO C C 176.578 0.300 1 89 18 18 PRO CA C 62.459 0.300 1 90 18 18 PRO CB C 30.874 0.300 1 91 19 19 MET H H 8.294 0.020 1 92 19 19 MET C C 175.703 0.300 1 93 19 19 MET CA C 54.622 0.300 1 94 19 19 MET CB C 32.007 0.300 1 95 19 19 MET N N 121.632 0.300 1 96 20 20 LYS H H 8.255 0.020 1 97 20 20 LYS C C 174.200 0.300 1 98 20 20 LYS CA C 53.501 0.300 1 99 20 20 LYS CB C 31.299 0.300 1 100 20 20 LYS N N 124.923 0.300 1 101 21 21 PRO C C 176.750 0.300 1 102 21 21 PRO CA C 62.429 0.300 1 103 21 21 PRO CB C 30.874 0.300 1 104 22 22 SER H H 8.387 0.020 1 105 22 22 SER C C 174.469 0.300 1 106 22 22 SER CA C 57.651 0.300 1 107 22 22 SER CB C 63.319 0.300 1 108 22 22 SER N N 117.436 0.300 1 109 23 23 ARG H H 8.391 0.020 1 110 23 23 ARG C C 176.327 0.300 1 111 23 23 ARG CA C 55.409 0.300 1 112 23 23 ARG CB C 29.457 0.300 1 113 23 23 ARG N N 123.817 0.300 1 114 24 24 SER H H 8.361 0.020 1 115 24 24 SER C C 174.666 0.300 1 116 24 24 SER CA C 58.140 0.300 1 117 24 24 SER CB C 63.086 0.300 1 118 24 24 SER N N 118.159 0.300 1 119 25 25 GLU H H 8.476 0.020 1 120 25 25 GLU C C 176.063 0.300 1 121 25 25 GLU CA C 56.042 0.300 1 122 25 25 GLU CB C 28.963 0.300 1 123 25 25 GLU N N 123.248 0.300 1 124 26 26 ASP H H 8.165 0.020 1 125 26 26 ASP C C 175.800 0.300 1 126 26 26 ASP CA C 53.886 0.300 1 127 26 26 ASP CB C 40.222 0.300 1 128 26 26 ASP N N 121.489 0.300 1 129 27 27 ASN H H 8.227 0.020 1 130 27 27 ASN C C 174.970 0.300 1 131 27 27 ASN CA C 52.704 0.300 1 132 27 27 ASN CB C 37.943 0.300 1 133 27 27 ASN N N 119.643 0.300 1 134 28 28 LYS H H 8.174 0.020 1 135 28 28 LYS C C 176.464 0.300 1 136 28 28 LYS CA C 55.658 0.300 1 137 28 28 LYS CB C 31.588 0.300 1 138 28 28 LYS N N 121.919 0.300 1 139 29 29 THR H H 8.120 0.020 1 140 29 29 THR C C 172.592 0.300 1 141 29 29 THR CA C 59.500 0.300 1 142 29 29 THR CB C 68.774 0.300 1 143 29 29 THR N N 118.711 0.300 1 144 30 30 PRO C C 176.725 0.300 1 145 30 30 PRO CA C 62.610 0.300 1 146 30 30 PRO CB C 30.945 0.300 1 147 31 31 ARG H H 8.372 0.020 1 148 31 31 ARG C C 176.007 0.300 1 149 31 31 ARG CA C 55.500 0.300 1 150 31 31 ARG CB C 29.457 0.300 1 151 31 31 ARG N N 122.183 0.300 1 152 32 32 ASN H H 8.400 0.020 1 153 32 32 ASN C C 175.230 0.300 1 154 32 32 ASN CA C 52.810 0.300 1 155 32 32 ASN CB C 37.958 0.300 1 156 32 32 ASN N N 120.309 0.300 1 157 33 33 ARG H H 8.311 0.020 1 158 33 33 ARG C C 176.562 0.300 1 159 33 33 ARG CA C 55.747 0.300 1 160 33 33 ARG CB C 29.386 0.300 1 161 33 33 ARG N N 122.389 0.300 1 162 34 34 THR H H 8.249 0.020 1 163 34 34 THR C C 174.473 0.300 1 164 34 34 THR CA C 61.980 0.300 1 165 34 34 THR CB C 69.026 0.300 1 166 34 34 THR N N 115.570 0.300 1 167 35 35 ASP H H 8.338 0.020 1 168 35 35 ASP C C 177.955 0.300 1 169 35 35 ASP CA C 55.197 0.300 1 170 35 35 ASP CB C 40.012 0.300 1 171 35 35 ASP N N 123.219 0.300 1 172 36 36 LEU H H 8.356 0.020 1 173 36 36 LEU HD1 H 0.790 0.020 1 174 36 36 LEU HD2 H 0.830 0.020 1 175 36 36 LEU C C 177.044 0.300 1 176 36 36 LEU CA C 57.559 0.300 1 177 36 36 LEU CB C 40.367 0.300 1 178 36 36 LEU CD1 C 22.206 0.300 1 179 36 36 LEU CD2 C 24.896 0.300 1 180 36 36 LEU N N 125.589 0.300 1 181 37 37 GLU H H 8.010 0.020 1 182 37 37 GLU C C 179.333 0.300 1 183 37 37 GLU CA C 58.985 0.300 1 184 37 37 GLU CB C 28.253 0.300 1 185 37 37 GLU N N 118.091 0.300 1 186 38 38 MET H H 7.829 0.020 1 187 38 38 MET C C 178.737 0.300 1 188 38 38 MET CA C 57.046 0.300 1 189 38 38 MET CB C 31.243 0.300 1 190 38 38 MET N N 116.022 0.300 1 191 39 39 PHE H H 8.026 0.020 1 192 39 39 PHE HD1 H 7.225 0.020 1 193 39 39 PHE HE1 H 7.273 0.020 1 194 39 39 PHE HZ H 6.897 0.020 1 195 39 39 PHE C C 175.855 0.300 1 196 39 39 PHE CA C 61.378 0.300 1 197 39 39 PHE CB C 38.772 0.300 1 198 39 39 PHE N N 123.397 0.300 1 199 40 40 LEU H H 7.995 0.020 1 200 40 40 LEU HD1 H 0.813 0.020 1 201 40 40 LEU HD2 H 0.855 0.020 1 202 40 40 LEU C C 177.461 0.300 1 203 40 40 LEU CA C 55.451 0.300 1 204 40 40 LEU CB C 40.367 0.300 1 205 40 40 LEU CD1 C 25.480 0.300 1 206 40 40 LEU CD2 C 22.102 0.300 1 207 40 40 LEU N N 113.942 0.300 1 208 41 41 LYS H H 6.996 0.020 1 209 41 41 LYS C C 176.539 0.300 1 210 41 41 LYS CA C 55.381 0.300 1 211 41 41 LYS CB C 31.866 0.300 1 212 41 41 LYS N N 117.082 0.300 1 213 42 42 LYS H H 7.691 0.020 1 214 42 42 LYS C C 174.994 0.300 1 215 42 42 LYS CA C 55.245 0.300 1 216 42 42 LYS CB C 33.920 0.300 1 217 42 42 LYS N N 121.665 0.300 1 218 43 43 THR H H 7.060 0.020 1 219 43 43 THR C C 173.632 0.300 1 220 43 43 THR CA C 58.106 0.300 1 221 43 43 THR CB C 67.640 0.300 1 222 43 43 THR N N 108.411 0.300 1 223 44 44 PRO C C 177.229 0.300 1 224 44 44 PRO CA C 65.454 0.300 1 225 44 44 PRO CB C 31.157 0.300 1 226 45 45 LEU H H 8.502 0.020 1 227 45 45 LEU HD1 H 0.991 0.020 1 228 45 45 LEU HD2 H 0.790 0.020 1 229 45 45 LEU C C 177.815 0.300 1 230 45 45 LEU CA C 57.283 0.300 1 231 45 45 LEU CB C 41.362 0.300 1 232 45 45 LEU CD1 C 24.177 0.300 1 233 45 45 LEU CD2 C 25.444 0.300 1 234 45 45 LEU N N 116.774 0.300 1 235 46 46 MET H H 7.600 0.020 1 236 46 46 MET C C 178.368 0.300 1 237 46 46 MET CA C 58.583 0.300 1 238 46 46 MET CB C 33.070 0.300 1 239 46 46 MET N N 119.277 0.300 1 240 47 47 VAL H H 7.846 0.020 1 241 47 47 VAL HG1 H 1.205 0.020 1 242 47 47 VAL HG2 H 0.818 0.020 1 243 47 47 VAL C C 179.120 0.300 1 244 47 47 VAL CA C 65.771 0.300 1 245 47 47 VAL CB C 30.803 0.300 1 246 47 47 VAL CG1 C 21.808 0.300 1 247 47 47 VAL CG2 C 23.452 0.300 1 248 47 47 VAL N N 118.968 0.300 1 249 48 48 LEU H H 8.171 0.020 1 250 48 48 LEU HD1 H 0.502 0.020 1 251 48 48 LEU HD2 H 0.648 0.020 1 252 48 48 LEU C C 177.667 0.300 1 253 48 48 LEU CA C 57.682 0.300 1 254 48 48 LEU CB C 41.258 0.300 1 255 48 48 LEU CD1 C 24.574 0.300 1 256 48 48 LEU CD2 C 26.597 0.300 1 257 48 48 LEU N N 120.631 0.300 1 258 49 49 GLU H H 8.975 0.020 1 259 49 49 GLU C C 179.957 0.300 1 260 49 49 GLU CA C 59.924 0.300 1 261 49 49 GLU CB C 28.465 0.300 1 262 49 49 GLU N N 119.032 0.300 1 263 50 50 GLU H H 8.681 0.020 1 264 50 50 GLU C C 179.588 0.300 1 265 50 50 GLU CA C 58.698 0.300 1 266 50 50 GLU CB C 28.272 0.300 1 267 50 50 GLU N N 119.768 0.300 1 268 51 51 ALA H H 7.708 0.020 1 269 51 51 ALA C C 178.774 0.300 1 270 51 51 ALA CA C 54.410 0.300 1 271 51 51 ALA CB C 17.773 0.300 1 272 51 51 ALA N N 122.287 0.300 1 273 52 52 ALA H H 8.732 0.020 1 274 52 52 ALA C C 179.561 0.300 1 275 52 52 ALA CA C 55.411 0.300 1 276 52 52 ALA CB C 17.556 0.300 1 277 52 52 ALA N N 120.682 0.300 1 278 53 53 LYS H H 7.549 0.020 1 279 53 53 LYS C C 178.227 0.300 1 280 53 53 LYS CA C 58.863 0.300 1 281 53 53 LYS CB C 31.653 0.300 1 282 53 53 LYS N N 116.775 0.300 1 283 54 54 ALA H H 7.924 0.020 1 284 54 54 ALA C C 179.021 0.300 1 285 54 54 ALA CA C 54.228 0.300 1 286 54 54 ALA CB C 18.464 0.300 1 287 54 54 ALA N N 120.539 0.300 1 288 55 55 VAL H H 8.662 0.020 1 289 55 55 VAL HG1 H -0.110 0.020 1 290 55 55 VAL HG2 H 0.544 0.020 1 291 55 55 VAL C C 177.234 0.300 1 292 55 55 VAL CA C 63.832 0.300 1 293 55 55 VAL CB C 31.519 0.300 1 294 55 55 VAL CG1 C 20.106 0.300 1 295 55 55 VAL CG2 C 21.919 0.300 1 296 55 55 VAL N N 116.542 0.300 1 297 56 56 TYR H H 6.752 0.020 1 298 56 56 TYR C C 174.818 0.300 1 299 56 56 TYR CA C 56.456 0.300 1 300 56 56 TYR CB C 38.495 0.300 1 301 56 56 TYR N N 114.496 0.300 1 302 57 57 GLN H H 7.643 0.020 1 303 57 57 GLN C C 174.809 0.300 1 304 57 57 GLN CA C 56.712 0.300 1 305 57 57 GLN CB C 24.853 0.300 1 306 57 57 GLN N N 116.964 0.300 1 307 58 58 LYS H H 7.471 0.020 1 308 58 58 LYS C C 174.398 0.300 1 309 58 58 LYS CA C 53.925 0.300 1 310 58 58 LYS CB C 35.620 0.300 1 311 58 58 LYS N N 116.204 0.300 1 312 59 59 THR H H 7.893 0.020 1 313 59 59 THR C C 172.661 0.300 1 314 59 59 THR CA C 58.140 0.300 1 315 59 59 THR CB C 68.774 0.300 1 316 59 59 THR N N 112.295 0.300 1 317 60 60 PRO C C 174.256 0.300 1 318 60 60 PRO CA C 62.089 0.300 1 319 60 60 PRO CB C 30.759 0.300 1 320 61 61 THR H H 8.215 0.020 1 321 61 61 THR C C 172.067 0.300 1 322 61 61 THR CA C 61.655 0.300 1 323 61 61 THR CB C 69.510 0.300 1 324 61 61 THR N N 119.282 0.300 1 325 62 62 TRP H H 8.540 0.020 1 326 62 62 TRP HE1 H 10.464 0.020 1 327 62 62 TRP C C 177.064 0.300 1 328 62 62 TRP CA C 54.836 0.300 1 329 62 62 TRP CB C 32.149 0.300 1 330 62 62 TRP N N 125.233 0.300 1 331 62 62 TRP NE1 N 130.804 0.300 1 332 63 63 GLY H H 9.522 0.020 1 333 63 63 GLY C C 172.583 0.300 1 334 63 63 GLY CA C 44.017 0.300 1 335 63 63 GLY N N 112.774 0.300 1 336 64 64 THR H H 8.624 0.020 1 337 64 64 THR C C 173.859 0.300 1 338 64 64 THR CA C 62.157 0.300 1 339 64 64 THR CB C 70.120 0.300 1 340 64 64 THR N N 120.888 0.300 1 341 65 65 VAL H H 8.734 0.020 1 342 65 65 VAL HG1 H 0.802 0.020 1 343 65 65 VAL HG2 H 0.915 0.020 1 344 65 65 VAL C C 174.200 0.300 1 345 65 65 VAL CA C 61.249 0.300 1 346 65 65 VAL CB C 34.274 0.300 1 347 65 65 VAL CG1 C 20.596 0.300 1 348 65 65 VAL CG2 C 21.720 0.300 1 349 65 65 VAL N N 128.659 0.300 1 350 66 66 GLU H H 8.699 0.020 1 351 66 66 GLU C C 174.582 0.300 1 352 66 66 GLU CA C 55.683 0.300 1 353 66 66 GLU CB C 28.678 0.300 1 354 66 66 GLU N N 128.468 0.300 1 355 67 67 LEU H H 8.055 0.020 1 356 67 67 LEU HD1 H 0.606 0.020 1 357 67 67 LEU HD2 H 0.695 0.020 1 358 67 67 LEU C C 175.192 0.300 1 359 67 67 LEU CA C 51.683 0.300 1 360 67 67 LEU CB C 40.367 0.300 1 361 67 67 LEU CD1 C 25.516 0.300 1 362 67 67 LEU CD2 C 21.962 0.300 1 363 67 67 LEU N N 127.645 0.300 1 364 68 68 PRO C C 177.844 0.300 1 365 68 68 PRO CA C 65.061 0.300 1 366 68 68 PRO CB C 30.166 0.300 1 367 69 69 GLU H H 7.877 0.020 1 368 69 69 GLU C C 175.688 0.300 1 369 69 69 GLU CA C 54.974 0.300 1 370 69 69 GLU CB C 28.607 0.300 1 371 69 69 GLU N N 112.386 0.300 1 372 70 70 GLY H H 7.262 0.020 1 373 70 70 GLY C C 170.995 0.300 1 374 70 70 GLY CA C 45.078 0.300 1 375 70 70 GLY N N 108.767 0.300 1 376 71 71 PHE H H 8.757 0.020 1 377 71 71 PHE C C 173.726 0.300 1 378 71 71 PHE CA C 56.864 0.300 1 379 71 71 PHE CB C 43.059 0.300 1 380 71 71 PHE N N 119.710 0.300 1 381 72 72 GLU H H 9.180 0.020 1 382 72 72 GLU C C 175.717 0.300 1 383 72 72 GLU CA C 54.379 0.300 1 384 72 72 GLU CB C 31.937 0.300 1 385 72 72 GLU N N 122.014 0.300 1 386 73 73 MET H H 9.529 0.020 1 387 73 73 MET C C 175.471 0.300 1 388 73 73 MET CA C 51.552 0.300 1 389 73 73 MET CB C 31.429 0.300 1 390 73 73 MET N N 128.414 0.300 1 391 74 74 THR H H 9.548 0.020 1 392 74 74 THR C C 171.559 0.300 1 393 74 74 THR CA C 62.105 0.300 1 394 74 74 THR CB C 69.199 0.300 1 395 74 74 THR N N 121.747 0.300 1 396 75 75 LEU H H 9.030 0.020 1 397 75 75 LEU HD1 H -0.426 0.020 1 398 75 75 LEU HD2 H 0.225 0.020 1 399 75 75 LEU C C 173.278 0.300 1 400 75 75 LEU CA C 52.471 0.300 1 401 75 75 LEU CB C 42.846 0.300 1 402 75 75 LEU CD1 C 22.695 0.300 1 403 75 75 LEU CD2 C 25.298 0.300 1 404 75 75 LEU N N 132.071 0.300 1 405 76 76 ILE H H 8.442 0.020 1 406 76 76 ILE HD1 H 0.600 0.020 1 407 76 76 ILE C C 175.391 0.300 1 408 76 76 ILE CA C 59.772 0.300 1 409 76 76 ILE CB C 40.012 0.300 1 410 76 76 ILE CD1 C 13.972 0.300 1 411 76 76 ILE N N 126.389 0.300 1 412 77 77 LEU H H 7.965 0.020 1 413 77 77 LEU HD1 H 0.472 0.020 1 414 77 77 LEU HD2 H 0.561 0.020 1 415 77 77 LEU C C 178.427 0.300 1 416 77 77 LEU CA C 54.801 0.300 1 417 77 77 LEU CB C 40.498 0.300 1 418 77 77 LEU CD1 C 22.539 0.300 1 419 77 77 LEU CD2 C 21.838 0.300 1 420 77 77 LEU N N 124.234 0.300 1 421 79 79 GLU C C 174.882 0.300 1 422 79 79 GLU CA C 56.621 0.300 1 423 79 79 GLU CB C 27.332 0.300 1 424 80 80 ILE H H 7.295 0.020 1 425 80 80 ILE HD1 H 0.239 0.020 1 426 80 80 ILE C C 173.264 0.300 1 427 80 80 ILE CA C 60.651 0.300 1 428 80 80 ILE CB C 37.746 0.300 1 429 80 80 ILE CD1 C 12.439 0.300 1 430 80 80 ILE N N 123.564 0.300 1 431 81 81 THR H H 7.907 0.020 1 432 81 81 THR C C 174.473 0.300 1 433 81 81 THR CA C 60.318 0.300 1 434 81 81 THR CB C 70.120 0.300 1 435 81 81 THR N N 123.968 0.300 1 436 82 82 VAL H H 8.990 0.020 1 437 82 82 VAL HG1 H 0.667 0.020 1 438 82 82 VAL HG2 H 0.931 0.020 1 439 82 82 VAL C C 173.164 0.300 1 440 82 82 VAL CA C 58.470 0.300 1 441 82 82 VAL CB C 35.266 0.300 1 442 82 82 VAL CG1 C 21.760 0.300 1 443 82 82 VAL CG2 C 20.506 0.300 1 444 82 82 VAL N N 120.397 0.300 1 445 83 83 LYS H H 8.278 0.020 1 446 83 83 LYS C C 175.897 0.300 1 447 83 83 LYS CA C 53.974 0.300 1 448 83 83 LYS CB C 35.940 0.300 1 449 83 83 LYS N N 118.186 0.300 1 450 84 84 GLY H H 8.784 0.020 1 451 84 84 GLY C C 171.250 0.300 1 452 84 84 GLY CA C 43.623 0.300 1 453 84 84 GLY N N 106.633 0.300 1 454 85 85 GLN H H 8.568 0.020 1 455 85 85 GLN C C 174.200 0.300 1 456 85 85 GLN CA C 53.590 0.300 1 457 85 85 GLN CB C 30.591 0.300 1 458 85 85 GLN N N 123.301 0.300 1 459 86 86 ALA H H 8.518 0.020 1 460 86 86 ALA C C 176.412 0.300 1 461 86 86 ALA CA C 51.077 0.300 1 462 86 86 ALA CB C 21.169 0.300 1 463 86 86 ALA N N 122.478 0.300 1 464 87 87 THR H H 8.681 0.020 1 465 87 87 THR C C 173.592 0.300 1 466 87 87 THR CA C 63.842 0.300 1 467 87 87 THR CB C 68.543 0.300 1 468 87 87 THR N N 110.462 0.300 1 469 88 88 SER H H 7.365 0.020 1 470 88 88 SER C C 173.845 0.300 1 471 88 88 SER CA C 54.979 0.300 1 472 88 88 SER CB C 65.798 0.300 1 473 88 88 SER N N 112.541 0.300 1 474 89 89 LYS H H 8.663 0.020 1 475 89 89 LYS C C 178.227 0.300 1 476 89 89 LYS CA C 59.984 0.300 1 477 89 89 LYS CB C 30.307 0.300 1 478 89 89 LYS N N 125.762 0.300 1 479 90 90 LYS H H 8.345 0.020 1 480 90 90 LYS C C 178.879 0.300 1 481 90 90 LYS CA C 59.166 0.300 1 482 90 90 LYS CB C 30.759 0.300 1 483 90 90 LYS N N 118.312 0.300 1 484 91 91 ALA H H 7.425 0.020 1 485 91 91 ALA C C 179.985 0.300 1 486 91 91 ALA CA C 53.743 0.300 1 487 91 91 ALA CB C 17.627 0.300 1 488 91 91 ALA N N 120.613 0.300 1 489 92 92 ALA H H 8.059 0.020 1 490 92 92 ALA C C 179.049 0.300 1 491 92 92 ALA CA C 54.897 0.300 1 492 92 92 ALA CB C 17.290 0.300 1 493 92 92 ALA N N 123.791 0.300 1 494 93 93 ARG H H 8.075 0.020 1 495 93 93 ARG C C 178.573 0.300 1 496 93 93 ARG CA C 59.318 0.300 1 497 93 93 ARG CB C 29.457 0.300 1 498 93 93 ARG N N 117.999 0.300 1 499 94 94 GLN H H 7.417 0.020 1 500 94 94 GLN C C 178.363 0.300 1 501 94 94 GLN CA C 58.197 0.300 1 502 94 94 GLN CB C 26.269 0.300 1 503 94 94 GLN N N 117.299 0.300 1 504 95 95 LYS H H 8.034 0.020 1 505 95 95 LYS C C 179.489 0.300 1 506 95 95 LYS CA C 58.533 0.300 1 507 95 95 LYS CB C 31.173 0.300 1 508 95 95 LYS N N 118.440 0.300 1 509 96 96 ALA H H 8.255 0.020 1 510 96 96 ALA C C 178.150 0.300 1 511 96 96 ALA CA C 54.358 0.300 1 512 96 96 ALA CB C 16.737 0.300 1 513 96 96 ALA N N 122.399 0.300 1 514 97 97 ALA H H 8.365 0.020 1 515 97 97 ALA C C 179.092 0.300 1 516 97 97 ALA CA C 54.864 0.300 1 517 97 97 ALA CB C 16.253 0.300 1 518 97 97 ALA N N 120.184 0.300 1 519 98 98 VAL H H 8.321 0.020 1 520 98 98 VAL HG1 H 0.892 0.020 1 521 98 98 VAL HG2 H 1.092 0.020 1 522 98 98 VAL C C 177.362 0.300 1 523 98 98 VAL CA C 67.209 0.300 1 524 98 98 VAL CB C 30.414 0.300 1 525 98 98 VAL CG1 C 20.682 0.300 1 526 98 98 VAL CG2 C 24.456 0.300 1 527 98 98 VAL N N 118.520 0.300 1 528 99 99 GLU H H 7.794 0.020 1 529 99 99 GLU C C 179.205 0.300 1 530 99 99 GLU CA C 58.136 0.300 1 531 99 99 GLU CB C 27.474 0.300 1 532 99 99 GLU N N 119.040 0.300 1 533 100 100 TYR H H 8.617 0.020 1 534 100 100 TYR C C 177.252 0.300 1 535 100 100 TYR CA C 61.626 0.300 1 536 100 100 TYR CB C 37.943 0.300 1 537 100 100 TYR N N 122.069 0.300 1 538 101 101 LEU H H 8.525 0.020 1 539 101 101 LEU HD1 H 0.997 0.020 1 540 101 101 LEU HD2 H 0.891 0.020 1 541 101 101 LEU C C 178.510 0.300 1 542 101 101 LEU CA C 56.958 0.300 1 543 101 101 LEU CB C 39.877 0.300 1 544 101 101 LEU CD1 C 25.383 0.300 1 545 101 101 LEU CD2 C 21.639 0.300 1 546 101 101 LEU N N 117.726 0.300 1 547 102 102 ARG H H 8.450 0.020 1 548 102 102 ARG C C 178.986 0.300 1 549 102 102 ARG CA C 60.106 0.300 1 550 102 102 ARG CB C 28.410 0.300 1 551 102 102 ARG N N 118.083 0.300 1 552 103 103 LYS H H 7.649 0.020 1 553 103 103 LYS C C 178.842 0.300 1 554 103 103 LYS CA C 57.500 0.300 1 555 103 103 LYS CB C 29.811 0.300 1 556 103 103 LYS N N 120.989 0.300 1 557 104 104 VAL H H 7.934 0.020 1 558 104 104 VAL HG1 H 0.171 0.020 1 559 104 104 VAL HG2 H 0.172 0.020 1 560 104 104 VAL C C 178.206 0.300 1 561 104 104 VAL CA C 65.850 0.300 1 562 104 104 VAL CB C 29.654 0.300 1 563 104 104 VAL CG1 C 21.331 0.300 1 564 104 104 VAL CG2 C 22.576 0.300 1 565 104 104 VAL N N 119.813 0.300 1 566 105 105 VAL H H 7.720 0.020 1 567 105 105 VAL HG2 H 0.850 0.020 1 568 105 105 VAL C C 180.160 0.300 1 569 105 105 VAL CA C 65.468 0.300 1 570 105 105 VAL CB C 29.930 0.300 1 571 105 105 VAL CG2 C 22.873 0.300 1 572 105 105 VAL N N 119.945 0.300 1 573 106 106 GLU H H 7.996 0.020 1 574 106 106 GLU C C 178.180 0.300 1 575 106 106 GLU CA C 58.701 0.300 1 576 106 106 GLU CB C 28.272 0.300 1 577 106 106 GLU N N 122.151 0.300 1 578 107 107 LYS H H 7.761 0.020 1 579 107 107 LYS C C 176.574 0.300 1 580 107 107 LYS CA C 55.451 0.300 1 581 107 107 LYS CB C 31.243 0.300 1 582 107 107 LYS N N 116.035 0.300 1 583 108 108 GLY H H 7.919 0.020 1 584 108 108 GLY C C 176.015 0.300 1 585 108 108 GLY CA C 45.643 0.300 1 586 108 108 GLY N N 108.029 0.300 1 587 109 109 LYS H H 7.824 0.020 1 588 109 109 LYS C C 176.850 0.300 1 589 109 109 LYS CA C 54.417 0.300 1 590 109 109 LYS CB C 32.140 0.300 1 591 109 109 LYS N N 118.024 0.300 1 592 110 110 HIS H H 8.559 0.020 1 593 110 110 HIS C C 176.057 0.300 1 594 110 110 HIS CA C 60.469 0.300 1 595 110 110 HIS N N 119.735 0.300 1 596 111 111 GLU C C 178.547 0.300 1 597 111 111 GLU CA C 58.580 0.300 1 598 112 112 ILE H H 7.147 0.020 1 599 112 112 ILE HD1 H 0.759 0.020 1 600 112 112 ILE C C 174.307 0.300 1 601 112 112 ILE CA C 61.980 0.300 1 602 112 112 ILE CB C 36.009 0.300 1 603 112 112 ILE CD1 C 12.714 0.300 1 604 112 112 ILE N N 119.910 0.300 1 605 113 113 PHE H H 6.860 0.020 1 606 113 113 PHE HD1 H 7.176 0.020 1 607 113 113 PHE HE1 H 7.237 0.020 1 608 113 113 PHE HZ H 7.379 0.020 1 609 113 113 PHE C C 173.629 0.300 1 610 113 113 PHE CA C 57.076 0.300 1 611 113 113 PHE CB C 38.841 0.300 1 612 113 113 PHE N N 116.897 0.300 1 613 114 114 PHE H H 7.256 0.020 1 614 114 114 PHE C C 174.984 0.300 1 615 114 114 PHE CA C 57.431 0.300 1 616 114 114 PHE CB C 34.487 0.300 1 617 114 114 PHE N N 112.904 0.300 1 618 115 115 ILE H H 7.628 0.020 1 619 115 115 ILE HD1 H 0.876 0.020 1 620 115 115 ILE C C 173.788 0.300 1 621 115 115 ILE CA C 57.253 0.300 1 622 115 115 ILE CB C 37.666 0.300 1 623 115 115 ILE CD1 C 14.153 0.300 1 624 115 115 ILE N N 121.347 0.300 1 625 116 116 PRO C C 175.337 0.300 1 626 116 116 PRO CA C 61.915 0.300 1 627 116 116 PRO CB C 30.449 0.300 1 628 117 117 GLY H H 8.069 0.020 1 629 117 117 GLY C C 174.696 0.300 1 630 117 117 GLY CA C 43.290 0.300 1 631 117 117 GLY N N 108.662 0.300 1 632 118 118 THR H H 9.063 0.020 1 633 118 118 THR C C 174.452 0.300 1 634 118 118 THR CA C 63.529 0.300 1 635 118 118 THR CB C 68.128 0.300 1 636 118 118 THR N N 121.394 0.300 1 637 119 119 THR H H 7.305 0.020 1 638 119 119 THR C C 174.556 0.300 1 639 119 119 THR CA C 58.136 0.300 1 640 119 119 THR CB C 71.961 0.300 1 641 119 119 THR N N 110.277 0.300 1 642 120 120 LYS H H 8.951 0.020 1 643 120 120 LYS C C 177.540 0.300 1 644 120 120 LYS CA C 59.530 0.300 1 645 120 120 LYS CB C 31.243 0.300 1 646 120 120 LYS N N 121.923 0.300 1 647 121 121 GLU H H 8.560 0.020 1 648 121 121 GLU C C 179.475 0.300 1 649 121 121 GLU CA C 59.853 0.300 1 650 121 121 GLU CB C 27.305 0.300 1 651 121 121 GLU N N 117.565 0.300 1 652 122 122 GLU H H 7.787 0.020 1 653 122 122 GLU C C 178.170 0.300 1 654 122 122 GLU CA C 58.257 0.300 1 655 122 122 GLU CB C 29.528 0.300 1 656 122 122 GLU N N 121.874 0.300 1 657 123 123 ALA H H 7.714 0.020 1 658 123 123 ALA C C 179.960 0.300 1 659 123 123 ALA CA C 54.440 0.300 1 660 123 123 ALA CB C 16.493 0.300 1 661 123 123 ALA N N 122.474 0.300 1 662 124 124 LEU H H 8.382 0.020 1 663 124 124 LEU HD1 H 0.851 0.020 1 664 124 124 LEU HD2 H 0.757 0.020 1 665 124 124 LEU C C 179.243 0.300 1 666 124 124 LEU CA C 57.460 0.300 1 667 124 124 LEU CB C 39.739 0.300 1 668 124 124 LEU CD1 C 22.624 0.300 1 669 124 124 LEU CD2 C 24.675 0.300 1 670 124 124 LEU N N 117.418 0.300 1 671 125 125 SER H H 7.769 0.020 1 672 125 125 SER C C 177.444 0.300 1 673 125 125 SER CA C 60.590 0.300 1 674 125 125 SER CB C 62.326 0.300 1 675 125 125 SER N N 116.137 0.300 1 676 126 126 ASN H H 8.092 0.020 1 677 126 126 ASN C C 177.667 0.300 1 678 126 126 ASN CA C 55.776 0.300 1 679 126 126 ASN CB C 35.904 0.300 1 680 126 126 ASN N N 122.568 0.300 1 681 127 127 ILE H H 8.213 0.020 1 682 127 127 ILE HD1 H 0.748 0.020 1 683 127 127 ILE C C 178.220 0.300 1 684 127 127 ILE CA C 64.491 0.300 1 685 127 127 ILE CB C 36.285 0.300 1 686 127 127 ILE CD1 C 15.053 0.300 1 687 127 127 ILE N N 122.107 0.300 1 688 128 128 ASP H H 8.332 0.020 1 689 128 128 ASP C C 178.978 0.300 1 690 128 128 ASP CA C 57.194 0.300 1 691 128 128 ASP CB C 39.186 0.300 1 692 128 128 ASP N N 121.490 0.300 1 693 129 129 GLN H H 7.730 0.020 1 694 129 129 GLN C C 178.510 0.300 1 695 129 129 GLN CA C 58.530 0.300 1 696 129 129 GLN N N 117.694 0.300 1 697 130 130 ILE H H 7.404 0.020 1 698 130 130 ILE HD1 H 0.140 0.020 1 699 130 130 ILE C C 177.183 0.300 1 700 130 130 ILE CA C 62.560 0.300 1 701 130 130 ILE CB C 37.391 0.300 1 702 130 130 ILE CD1 C 14.254 0.300 1 703 130 130 ILE N N 111.546 0.300 1 704 131 131 SER H H 7.877 0.020 1 705 131 131 SER C C 175.050 0.300 1 706 131 131 SER CA C 59.824 0.300 1 707 131 131 SER CB C 62.879 0.300 1 708 131 131 SER N N 118.628 0.300 1 709 132 132 ASP H H 8.275 0.020 1 710 132 132 ASP C C 177.044 0.300 1 711 132 132 ASP CA C 54.661 0.300 1 712 132 132 ASP CB C 40.093 0.300 1 713 132 132 ASP N N 121.719 0.300 1 714 133 133 LYS H H 7.782 0.020 1 715 133 133 LYS C C 176.823 0.300 1 716 133 133 LYS CA C 56.258 0.300 1 717 133 133 LYS CB C 31.299 0.300 1 718 133 133 LYS N N 120.682 0.300 1 719 134 134 ALA H H 7.955 0.020 1 720 134 134 ALA C C 178.040 0.300 1 721 134 134 ALA CA C 52.349 0.300 1 722 134 134 ALA CB C 17.704 0.300 1 723 134 134 ALA N N 123.659 0.300 1 724 135 135 GLU H H 8.074 0.020 1 725 135 135 GLU C C 176.795 0.300 1 726 135 135 GLU CA C 56.440 0.300 1 727 135 135 GLU CB C 28.890 0.300 1 728 135 135 GLU N N 120.244 0.300 1 729 136 136 GLU H H 8.294 0.020 1 730 136 136 GLU C C 176.588 0.300 1 731 136 136 GLU CA C 56.366 0.300 1 732 136 136 GLU CB C 28.894 0.300 1 733 136 136 GLU N N 121.881 0.300 1 734 137 137 LEU H H 8.079 0.020 1 735 137 137 LEU HD1 H 0.770 0.020 1 736 137 137 LEU HD2 H 0.828 0.020 1 737 137 137 LEU C C 177.305 0.300 1 738 137 137 LEU CA C 54.713 0.300 1 739 137 137 LEU CB C 40.775 0.300 1 740 137 137 LEU CD1 C 23.198 0.300 1 741 137 137 LEU CD2 C 24.537 0.300 1 742 137 137 LEU N N 123.233 0.300 1 743 138 138 LYS H H 8.086 0.020 1 744 138 138 LYS C C 176.463 0.300 1 745 138 138 LYS CA C 55.773 0.300 1 746 138 138 LYS CB C 31.519 0.300 1 747 138 138 LYS N N 122.904 0.300 1 748 139 139 ARG H H 8.237 0.020 1 749 139 139 ARG C C 176.301 0.300 1 750 139 139 ARG CA C 55.532 0.300 1 751 139 139 ARG CB C 29.599 0.300 1 752 139 139 ARG N N 122.925 0.300 1 753 140 140 SER H H 8.404 0.020 1 754 140 140 SER C C 174.791 0.300 1 755 140 140 SER CA C 57.785 0.300 1 756 140 140 SER CB C 63.285 0.300 1 757 140 140 SER N N 118.057 0.300 1 758 141 141 THR H H 8.165 0.020 1 759 141 141 THR C C 174.638 0.300 1 760 141 141 THR CA C 61.330 0.300 1 761 141 141 THR CB C 69.026 0.300 1 762 141 141 THR N N 116.424 0.300 1 763 142 142 SER H H 8.229 0.020 1 764 142 142 SER C C 174.155 0.300 1 765 142 142 SER CA C 57.963 0.300 1 766 142 142 SER CB C 63.155 0.300 1 767 142 142 SER N N 118.258 0.300 1 768 143 143 ASP H H 8.213 0.020 1 769 143 143 ASP C C 175.683 0.300 1 770 143 143 ASP CA C 53.864 0.300 1 771 143 143 ASP CB C 40.367 0.300 1 772 143 143 ASP N N 123.199 0.300 1 773 144 144 ALA H H 8.025 0.020 1 774 144 144 ALA C C 177.532 0.300 1 775 144 144 ALA CA C 51.865 0.300 1 776 144 144 ALA CB C 17.910 0.300 1 777 144 144 ALA N N 124.487 0.300 1 778 145 145 VAL H H 7.986 0.020 1 779 145 145 VAL HG2 H 0.812 0.020 1 780 145 145 VAL C C 176.043 0.300 1 781 145 145 VAL CA C 61.733 0.300 1 782 145 145 VAL CB C 31.370 0.300 1 783 145 145 VAL CG2 C 20.858 0.300 1 784 145 145 VAL N N 120.303 0.300 1 785 146 146 GLN H H 8.337 0.020 1 786 146 146 GLN C C 175.320 0.300 1 787 146 146 GLN CA C 54.894 0.300 1 788 146 146 GLN CB C 28.395 0.300 1 789 146 146 GLN N N 124.575 0.300 1 790 147 147 ASP H H 8.288 0.020 1 791 147 147 ASP C C 175.660 0.300 1 792 147 147 ASP CA C 53.747 0.300 1 793 147 147 ASP CB C 40.367 0.300 1 794 147 147 ASP N N 122.685 0.300 1 795 148 148 ASN H H 8.291 0.020 1 796 148 148 ASN C C 174.767 0.300 1 797 148 148 ASN CA C 52.683 0.300 1 798 148 148 ASN CB C 38.241 0.300 1 799 148 148 ASN N N 119.712 0.300 1 800 149 149 ASP H H 8.209 0.020 1 801 149 149 ASP C C 175.828 0.300 1 802 149 149 ASP CA C 53.959 0.300 1 803 149 149 ASP CB C 40.154 0.300 1 804 149 149 ASP N N 121.997 0.300 1 805 150 150 ASN H H 8.176 0.020 1 806 150 150 ASN C C 174.809 0.300 1 807 150 150 ASN CA C 52.719 0.300 1 808 150 150 ASN CB C 38.312 0.300 1 809 150 150 ASN N N 119.279 0.300 1 810 151 151 ASP H H 8.284 0.020 1 811 151 151 ASP C C 175.717 0.300 1 812 151 151 ASP CA C 53.915 0.300 1 813 151 151 ASP CB C 40.222 0.300 1 814 151 151 ASP N N 121.526 0.300 1 815 152 152 ASP H H 8.180 0.020 1 816 152 152 ASP C C 176.256 0.300 1 817 152 152 ASP CA C 53.856 0.300 1 818 152 152 ASP CB C 40.084 0.300 1 819 152 152 ASP N N 121.423 0.300 1 820 153 153 SER H H 8.221 0.020 1 821 153 153 SER C C 174.100 0.300 1 822 153 153 SER CA C 57.937 0.300 1 823 153 153 SER CB C 62.894 0.300 1 824 153 153 SER N N 115.689 0.300 1 825 154 154 ILE H H 7.640 0.020 1 826 154 154 ILE HD1 H 0.599 0.020 1 827 154 154 ILE C C 174.145 0.300 1 828 154 154 ILE CA C 58.612 0.300 1 829 154 154 ILE CB C 38.357 0.300 1 830 154 154 ILE CD1 C 13.708 0.300 1 831 154 154 ILE N N 124.619 0.300 1 832 155 155 PRO C C 174.895 0.300 1 833 155 155 PRO CA C 63.609 0.300 1 834 155 155 PRO CB C 30.874 0.300 1 835 156 156 THR H H 8.486 0.020 1 836 156 156 THR C C 172.992 0.300 1 837 156 156 THR CA C 60.799 0.300 1 838 156 156 THR CB C 72.457 0.300 1 839 156 156 THR N N 123.089 0.300 1 840 157 157 SER H H 8.291 0.020 1 841 157 157 SER C C 171.431 0.300 1 842 157 157 SER CA C 56.249 0.300 1 843 157 157 SER CB C 65.434 0.300 1 844 157 157 SER N N 118.301 0.300 1 845 158 158 ALA H H 8.841 0.020 1 846 158 158 ALA C C 176.412 0.300 1 847 158 158 ALA CA C 49.966 0.300 1 848 158 158 ALA CB C 19.540 0.300 1 849 158 158 ALA N N 127.456 0.300 1 850 159 159 GLU H H 7.847 0.020 1 851 159 159 GLU C C 175.306 0.300 1 852 159 159 GLU CA C 54.319 0.300 1 853 159 159 GLU CB C 31.724 0.300 1 854 159 159 GLU N N 117.099 0.300 1 855 160 160 PHE H H 9.230 0.020 1 856 160 160 PHE C C 173.561 0.300 1 857 160 160 PHE CA C 56.652 0.300 1 858 160 160 PHE CB C 37.533 0.300 1 859 160 160 PHE N N 124.986 0.300 1 860 162 162 PRO C C 177.549 0.300 1 861 162 162 PRO CA C 63.276 0.300 1 862 162 162 PRO CB C 30.378 0.300 1 863 163 163 GLY H H 8.575 0.020 1 864 163 163 GLY C C 173.264 0.300 1 865 163 163 GLY CA C 44.351 0.300 1 866 163 163 GLY N N 111.972 0.300 1 867 164 164 ILE H H 7.575 0.020 1 868 164 164 ILE HD1 H 0.523 0.020 1 869 164 164 ILE C C 175.362 0.300 1 870 164 164 ILE CA C 56.682 0.300 1 871 164 164 ILE CB C 33.849 0.300 1 872 164 164 ILE CD1 C 8.709 0.300 1 873 164 164 ILE N N 122.817 0.300 1 874 165 165 SER H H 8.644 0.020 1 875 165 165 SER C C 174.292 0.300 1 876 165 165 SER CA C 54.743 0.300 1 877 165 165 SER CB C 63.248 0.300 1 878 165 165 SER N N 122.181 0.300 1 879 166 166 PRO C C 176.725 0.300 1 880 166 166 PRO CA C 61.703 0.300 1 881 166 166 PRO CB C 31.653 0.300 1 882 167 167 THR H H 7.427 0.020 1 883 167 167 THR C C 175.419 0.300 1 884 167 167 THR CA C 60.439 0.300 1 885 167 167 THR CB C 67.711 0.300 1 886 167 167 THR N N 106.805 0.300 1 887 168 168 GLU H H 6.402 0.020 1 888 168 168 GLU C C 173.958 0.300 1 889 168 168 GLU CA C 54.652 0.300 1 890 168 168 GLU CB C 28.465 0.300 1 891 168 168 GLU N N 124.439 0.300 1 892 169 169 ASN H H 8.723 0.020 1 893 169 169 ASN C C 175.674 0.300 1 894 169 169 ASN CA C 49.835 0.300 1 895 169 169 ASN CB C 34.983 0.300 1 896 169 169 ASN N N 123.071 0.300 1 897 170 170 TRP H H 8.769 0.020 1 898 170 170 TRP HE1 H 10.382 0.020 1 899 170 170 TRP C C 177.998 0.300 1 900 170 170 TRP CA C 59.500 0.300 1 901 170 170 TRP CB C 28.111 0.300 1 902 170 170 TRP N N 128.988 0.300 1 903 170 170 TRP NE1 N 130.592 0.300 1 904 171 171 VAL H H 7.436 0.020 1 905 171 171 VAL HG1 H 0.828 0.020 1 906 171 171 VAL HG2 H 0.949 0.020 1 907 171 171 VAL C C 179.985 0.300 1 908 171 171 VAL CA C 65.165 0.300 1 909 171 171 VAL CB C 31.157 0.300 1 910 171 171 VAL CG1 C 20.315 0.300 1 911 171 171 VAL CG2 C 22.235 0.300 1 912 171 171 VAL N N 119.871 0.300 1 913 172 172 GLY H H 7.801 0.020 1 914 172 172 GLY C C 176.440 0.300 1 915 172 172 GLY CA C 46.744 0.300 1 916 172 172 GLY N N 110.098 0.300 1 917 173 173 LYS H H 7.980 0.020 1 918 173 173 LYS C C 179.865 0.300 1 919 173 173 LYS CA C 58.761 0.300 1 920 173 173 LYS CB C 30.266 0.300 1 921 173 173 LYS N N 123.784 0.300 1 922 174 174 LEU H H 8.631 0.020 1 923 174 174 LEU HD1 H 0.959 0.020 1 924 174 174 LEU HD2 H 1.046 0.020 1 925 174 174 LEU C C 178.468 0.300 1 926 174 174 LEU CA C 57.253 0.300 1 927 174 174 LEU CB C 40.792 0.300 1 928 174 174 LEU CD1 C 23.052 0.300 1 929 174 174 LEU CD2 C 25.496 0.300 1 930 174 174 LEU N N 122.400 0.300 1 931 175 175 GLN H H 8.059 0.020 1 932 175 175 GLN C C 179.106 0.300 1 933 175 175 GLN CA C 58.500 0.300 1 934 175 175 GLN CB C 26.624 0.300 1 935 175 175 GLN N N 121.515 0.300 1 936 176 176 GLU H H 8.336 0.020 1 937 176 176 GLU C C 178.351 0.300 1 938 176 176 GLU CA C 58.863 0.300 1 939 176 176 GLU CB C 28.341 0.300 1 940 176 176 GLU N N 121.629 0.300 1 941 177 177 LYS H H 8.207 0.020 1 942 177 177 LYS C C 178.883 0.300 1 943 177 177 LYS CA C 58.612 0.300 1 944 177 177 LYS CB C 30.966 0.300 1 945 177 177 LYS N N 121.385 0.300 1 946 178 178 SER H H 8.428 0.020 1 947 178 178 SER C C 175.123 0.300 1 948 178 178 SER CA C 61.530 0.300 1 949 178 178 SER CB C 62.256 0.300 1 950 178 178 SER N N 115.948 0.300 1 951 179 179 GLN H H 7.737 0.020 1 952 179 179 GLN C C 179.574 0.300 1 953 179 179 GLN CA C 57.861 0.300 1 954 179 179 GLN CB C 27.474 0.300 1 955 179 179 GLN N N 121.448 0.300 1 956 180 180 LYS H H 8.463 0.020 1 957 180 180 LYS C C 178.454 0.300 1 958 180 180 LYS CA C 58.376 0.300 1 959 180 180 LYS CB C 31.370 0.300 1 960 180 180 LYS N N 121.226 0.300 1 961 181 181 SER H H 7.973 0.020 1 962 181 181 SER C C 171.945 0.300 1 963 181 181 SER CA C 58.287 0.300 1 964 181 181 SER CB C 63.319 0.300 1 965 181 181 SER N N 112.898 0.300 1 966 182 182 LYS H H 7.555 0.020 1 967 182 182 LYS C C 175.291 0.300 1 968 182 182 LYS CA C 56.470 0.300 1 969 182 182 LYS CB C 27.332 0.300 1 970 182 182 LYS N N 118.016 0.300 1 971 183 183 LEU H H 8.274 0.020 1 972 183 183 LEU HD1 H 0.648 0.020 1 973 183 183 LEU HD2 H 0.707 0.020 1 974 183 183 LEU C C 176.752 0.300 1 975 183 183 LEU CA C 51.986 0.300 1 976 183 183 LEU CB C 43.200 0.300 1 977 183 183 LEU CD1 C 25.430 0.300 1 978 183 183 LEU CD2 C 21.933 0.300 1 979 183 183 LEU N N 119.293 0.300 1 980 184 184 GLN H H 8.014 0.020 1 981 184 184 GLN C C 174.864 0.300 1 982 184 184 GLN CA C 55.591 0.300 1 983 184 184 GLN CB C 27.757 0.300 1 984 184 184 GLN N N 121.634 0.300 1 985 185 185 ALA H H 8.030 0.020 1 986 185 185 ALA C C 175.771 0.300 1 987 185 185 ALA CA C 50.136 0.300 1 988 185 185 ALA CB C 16.362 0.300 1 989 185 185 ALA N N 126.077 0.300 1 990 186 186 PRO C C 175.411 0.300 1 991 186 186 PRO CA C 61.885 0.300 1 992 186 186 PRO CB C 31.866 0.300 1 993 187 187 ILE H H 8.044 0.020 1 994 187 187 ILE HD1 H 0.746 0.020 1 995 187 187 ILE C C 174.426 0.300 1 996 187 187 ILE CA C 59.106 0.300 1 997 187 187 ILE CB C 39.946 0.300 1 998 187 187 ILE CD1 C 12.988 0.300 1 999 187 187 ILE N N 121.091 0.300 1 1000 188 188 TYR H H 8.664 0.020 1 1001 188 188 TYR C C 175.759 0.300 1 1002 188 188 TYR CA C 56.046 0.300 1 1003 188 188 TYR CB C 40.083 0.300 1 1004 188 188 TYR N N 123.672 0.300 1 1005 189 189 GLU H H 8.914 0.020 1 1006 189 189 GLU C C 174.100 0.300 1 1007 189 189 GLU CA C 54.531 0.300 1 1008 189 189 GLU CB C 32.716 0.300 1 1009 189 189 GLU N N 123.030 0.300 1 1010 190 190 ASP H H 8.714 0.020 1 1011 190 190 ASP C C 174.327 0.300 1 1012 190 190 ASP CA C 52.168 0.300 1 1013 190 190 ASP CB C 44.688 0.300 1 1014 190 190 ASP N N 121.583 0.300 1 1015 191 191 SER H H 8.810 0.020 1 1016 191 191 SER C C 171.874 0.300 1 1017 191 191 SER CA C 57.227 0.300 1 1018 191 191 SER CB C 64.807 0.300 1 1019 191 191 SER N N 114.934 0.300 1 1020 192 192 LYS H H 8.468 0.020 1 1021 192 192 LYS C C 175.263 0.300 1 1022 192 192 LYS CA C 54.231 0.300 1 1023 192 192 LYS CB C 33.708 0.300 1 1024 192 192 LYS N N 122.639 0.300 1 1025 193 193 ASN H H 8.516 0.020 1 1026 193 193 ASN C C 175.547 0.300 1 1027 193 193 ASN CA C 51.902 0.300 1 1028 193 193 ASN CB C 38.383 0.300 1 1029 193 193 ASN N N 125.717 0.300 1 1030 194 194 GLU H H 8.959 0.020 1 1031 194 194 GLU C C 177.183 0.300 1 1032 194 194 GLU CA C 57.712 0.300 1 1033 194 194 GLU CB C 28.395 0.300 1 1034 194 194 GLU N N 125.865 0.300 1 1035 195 195 ARG H H 8.214 0.020 1 1036 195 195 ARG C C 177.773 0.300 1 1037 195 195 ARG CA C 57.519 0.300 1 1038 195 195 ARG CB C 28.890 0.300 1 1039 195 195 ARG N N 119.005 0.300 1 1040 196 196 THR H H 7.559 0.020 1 1041 196 196 THR C C 174.680 0.300 1 1042 196 196 THR CA C 60.499 0.300 1 1043 196 196 THR CB C 68.986 0.300 1 1044 196 196 THR N N 108.424 0.300 1 1045 197 197 GLU H H 7.857 0.020 1 1046 197 197 GLU C C 175.050 0.300 1 1047 197 197 GLU CA C 56.500 0.300 1 1048 197 197 GLU CB C 25.915 0.300 1 1049 197 197 GLU N N 118.543 0.300 1 1050 198 198 ARG H H 7.277 0.020 1 1051 198 198 ARG C C 174.299 0.300 1 1052 198 198 ARG CA C 53.804 0.300 1 1053 198 198 ARG CB C 31.795 0.300 1 1054 198 198 ARG N N 117.332 0.300 1 1055 199 199 PHE H H 8.697 0.020 1 1056 199 199 PHE HD1 H 7.119 0.020 1 1057 199 199 PHE C C 173.311 0.300 1 1058 199 199 PHE CA C 57.803 0.300 1 1059 199 199 PHE CB C 40.775 0.300 1 1060 199 199 PHE N N 119.812 0.300 1 1061 200 200 LEU H H 8.694 0.020 1 1062 200 200 LEU HD1 H 0.687 0.020 1 1063 200 200 LEU HD2 H 0.685 0.020 1 1064 200 200 LEU C C 176.412 0.300 1 1065 200 200 LEU CA C 54.016 0.300 1 1066 200 200 LEU CB C 41.854 0.300 1 1067 200 200 LEU CD1 C 24.878 0.300 1 1068 200 200 LEU CD2 C 26.662 0.300 1 1069 200 200 LEU N N 122.665 0.300 1 1070 201 201 VAL H H 9.071 0.020 1 1071 201 201 VAL HG1 H 0.944 0.020 1 1072 201 201 VAL HG2 H 0.868 0.020 1 1073 201 201 VAL C C 173.961 0.300 1 1074 201 201 VAL CA C 60.015 0.300 1 1075 201 201 VAL CB C 32.624 0.300 1 1076 201 201 VAL CG1 C 21.816 0.300 1 1077 201 201 VAL CG2 C 21.816 0.300 1 1078 201 201 VAL N N 124.642 0.300 1 1079 202 202 ILE H H 8.900 0.020 1 1080 202 202 ILE HD1 H 0.704 0.020 1 1081 202 202 ILE C C 175.646 0.300 1 1082 202 202 ILE CA C 58.406 0.300 1 1083 202 202 ILE CB C 39.304 0.300 1 1084 202 202 ILE CD1 C 13.373 0.300 1 1085 202 202 ILE N N 127.312 0.300 1 1086 203 203 CYS H H 9.206 0.020 1 1087 203 203 CYS C C 173.008 0.300 1 1088 203 203 CYS CA C 56.318 0.300 1 1089 203 203 CYS CB C 27.899 0.300 1 1090 203 203 CYS N N 131.048 0.300 1 1091 204 204 THR H H 8.779 0.020 1 1092 204 204 THR C C 174.370 0.300 1 1093 204 204 THR CA C 60.772 0.300 1 1094 204 204 THR CB C 69.199 0.300 1 1095 204 204 THR N N 124.615 0.300 1 1096 205 205 MET H H 8.644 0.020 1 1097 205 205 MET C C 174.086 0.300 1 1098 205 205 MET CA C 55.531 0.300 1 1099 205 205 MET CB C 33.495 0.300 1 1100 205 205 MET N N 127.382 0.300 1 1101 206 206 CYS H H 9.237 0.020 1 1102 206 206 CYS C C 173.823 0.300 1 1103 206 206 CYS CA C 59.863 0.300 1 1104 206 206 CYS CB C 24.994 0.300 1 1105 206 206 CYS N N 122.519 0.300 1 1106 207 207 ASN H H 8.749 0.020 1 1107 207 207 ASN C C 173.249 0.300 1 1108 207 207 ASN CA C 53.804 0.300 1 1109 207 207 ASN CB C 37.108 0.300 1 1110 207 207 ASN N N 113.021 0.300 1 1111 208 208 GLN H H 7.992 0.020 1 1112 208 208 GLN HE21 H 7.065 0.020 1 1113 208 208 GLN HE22 H 7.065 0.020 1 1114 208 208 GLN C C 173.285 0.300 1 1115 208 208 GLN CA C 53.561 0.300 1 1116 208 208 GLN CB C 30.166 0.300 1 1117 208 208 GLN N N 119.926 0.300 1 1118 209 209 LYS H H 7.771 0.020 1 1119 209 209 LYS C C 175.660 0.300 1 1120 209 209 LYS CA C 54.379 0.300 1 1121 209 209 LYS CB C 36.683 0.300 1 1122 209 209 LYS N N 119.942 0.300 1 1123 210 210 THR H H 8.779 0.020 1 1124 210 210 THR C C 173.203 0.300 1 1125 210 210 THR CA C 59.681 0.300 1 1126 210 210 THR CB C 71.466 0.300 1 1127 210 210 THR N N 111.409 0.300 1 1128 211 211 ARG H H 8.511 0.020 1 1129 211 211 ARG C C 173.311 0.300 1 1130 211 211 ARG CA C 54.142 0.300 1 1131 211 211 ARG CB C 32.787 0.300 1 1132 211 211 ARG N N 120.129 0.300 1 1133 212 212 GLY H H 8.958 0.020 1 1134 212 212 GLY C C 172.399 0.300 1 1135 212 212 GLY CA C 42.381 0.300 1 1136 212 212 GLY N N 112.548 0.300 1 1137 213 213 ILE H H 8.100 0.020 1 1138 213 213 ILE HD1 H 0.574 0.020 1 1139 213 213 ILE C C 176.547 0.300 1 1140 213 213 ILE CA C 59.621 0.300 1 1141 213 213 ILE CB C 39.393 0.300 1 1142 213 213 ILE CD1 C 13.942 0.300 1 1143 213 213 ILE N N 123.768 0.300 1 1144 214 214 ARG H H 8.512 0.020 1 1145 214 214 ARG C C 176.100 0.300 1 1146 214 214 ARG CA C 51.683 0.300 1 1147 214 214 ARG CB C 34.345 0.300 1 1148 214 214 ARG N N 121.124 0.300 1 1149 215 215 SER C C 173.395 0.300 1 1150 215 215 SER CA C 61.098 0.300 1 1151 215 215 SER CB C 62.740 0.300 1 1152 216 216 LYS H H 7.622 0.020 1 1153 216 216 LYS C C 176.547 0.300 1 1154 216 216 LYS CA C 53.838 0.300 1 1155 216 216 LYS CB C 32.831 0.300 1 1156 216 216 LYS N N 118.280 0.300 1 1157 217 217 LYS H H 8.350 0.020 1 1158 217 217 LYS C C 177.730 0.300 1 1159 217 217 LYS CA C 60.136 0.300 1 1160 217 217 LYS CB C 29.811 0.300 1 1161 217 217 LYS N N 129.559 0.300 1 1162 218 218 LYS H H 8.713 0.020 1 1163 218 218 LYS C C 178.546 0.300 1 1164 218 218 LYS CA C 58.712 0.300 1 1165 218 218 LYS CB C 30.690 0.300 1 1166 218 218 LYS N N 117.320 0.300 1 1167 219 219 ASP H H 6.517 0.020 1 1168 219 219 ASP C C 176.965 0.300 1 1169 219 219 ASP CA C 55.743 0.300 1 1170 219 219 ASP CB C 39.871 0.300 1 1171 219 219 ASP N N 119.568 0.300 1 1172 220 220 ALA H H 7.959 0.020 1 1173 220 220 ALA C C 178.413 0.300 1 1174 220 220 ALA CA C 54.949 0.300 1 1175 220 220 ALA CB C 17.566 0.300 1 1176 220 220 ALA N N 123.866 0.300 1 1177 221 221 LYS H H 8.234 0.020 1 1178 221 221 LYS C C 176.712 0.300 1 1179 221 221 LYS CA C 58.760 0.300 1 1180 221 221 LYS CB C 31.795 0.300 1 1181 221 221 LYS N N 118.925 0.300 1 1182 222 222 ASN H H 7.734 0.020 1 1183 222 222 ASN C C 176.989 0.300 1 1184 222 222 ASN CA C 55.451 0.300 1 1185 222 222 ASN CB C 38.703 0.300 1 1186 222 222 ASN N N 118.189 0.300 1 1187 223 223 LEU H H 8.267 0.020 1 1188 223 223 LEU HD1 H -0.053 0.020 1 1189 223 223 LEU HD2 H 0.245 0.020 1 1190 223 223 LEU C C 177.501 0.300 1 1191 223 223 LEU CA C 56.591 0.300 1 1192 223 223 LEU CB C 39.877 0.300 1 1193 223 223 LEU CD1 C 20.100 0.300 1 1194 223 223 LEU CD2 C 26.721 0.300 1 1195 223 223 LEU N N 120.287 0.300 1 1196 224 224 ALA H H 8.250 0.020 1 1197 224 224 ALA C C 180.501 0.300 1 1198 224 224 ALA CA C 55.215 0.300 1 1199 224 224 ALA CB C 16.806 0.300 1 1200 224 224 ALA N N 122.439 0.300 1 1201 225 225 ALA H H 8.512 0.020 1 1202 225 225 ALA C C 178.925 0.300 1 1203 225 225 ALA CA C 54.319 0.300 1 1204 225 225 ALA CB C 17.704 0.300 1 1205 225 225 ALA N N 120.368 0.300 1 1206 226 226 TRP H H 8.419 0.020 1 1207 226 226 TRP HE1 H 9.743 0.020 1 1208 226 226 TRP CA C 54.319 0.300 1 1209 226 226 TRP N N 121.963 0.300 1 1210 226 226 TRP NE1 N 129.111 0.300 1 1211 227 227 LEU HD1 H 0.662 0.020 1 1212 227 227 LEU HD2 H 0.666 0.020 1 1213 227 227 LEU CD1 C 27.151 0.300 1 1214 227 227 LEU CD2 C 24.146 0.300 1 1215 228 228 MET C C 176.553 0.300 1 1216 228 228 MET CA C 55.532 0.300 1 1217 228 228 MET CB C 28.111 0.300 1 1218 229 229 TRP H H 8.974 0.020 1 1219 229 229 TRP HE1 H 9.680 0.020 1 1220 229 229 TRP C C 177.791 0.300 1 1221 229 229 TRP CA C 60.946 0.300 1 1222 229 229 TRP CB C 27.789 0.300 1 1223 229 229 TRP N N 123.396 0.300 1 1224 229 229 TRP NE1 N 130.471 0.300 1 1225 230 230 LYS H H 8.507 0.020 1 1226 230 230 LYS C C 177.957 0.300 1 1227 230 230 LYS CA C 56.751 0.300 1 1228 230 230 LYS CB C 29.239 0.300 1 1229 230 230 LYS N N 120.069 0.300 1 1230 231 231 ALA H H 7.858 0.020 1 1231 231 231 ALA C C 180.791 0.300 1 1232 231 231 ALA CA C 53.687 0.300 1 1233 231 231 ALA CB C 16.599 0.300 1 1234 231 231 ALA N N 122.280 0.300 1 1235 232 232 LEU H H 8.135 0.020 1 1236 232 232 LEU HD1 H 0.590 0.020 1 1237 232 232 LEU C C 178.870 0.300 1 1238 232 232 LEU CA C 56.076 0.300 1 1239 232 232 LEU CB C 40.222 0.300 1 1240 232 232 LEU CD1 C 25.456 0.300 1 1241 232 232 LEU N N 118.143 0.300 1 1242 233 233 GLU H H 7.778 0.020 1 1243 233 233 GLU C C 177.459 0.300 1 1244 233 233 GLU CA C 57.924 0.300 1 1245 233 233 GLU CB C 28.894 0.300 1 1246 233 233 GLU N N 120.978 0.300 1 1247 234 234 ASP H H 8.212 0.020 1 1248 234 234 ASP C C 176.630 0.300 1 1249 234 234 ASP CA C 54.107 0.300 1 1250 234 234 ASP CB C 41.535 0.300 1 1251 234 234 ASP N N 116.859 0.300 1 1252 235 235 GLY H H 7.408 0.020 1 1253 235 235 GLY C C 175.589 0.300 1 1254 235 235 GLY CA C 44.284 0.300 1 1255 235 235 GLY N N 110.973 0.300 1 1256 236 236 ILE HD1 H 0.729 0.020 1 1257 236 236 ILE C C 177.143 0.300 1 1258 236 236 ILE CA C 62.140 0.300 1 1259 236 236 ILE CB C 37.183 0.300 1 1260 236 236 ILE CD1 C 13.348 0.300 1 1261 237 237 GLU H H 9.125 0.020 1 1262 237 237 GLU C C 178.081 0.300 1 1263 237 237 GLU CA C 57.815 0.300 1 1264 237 237 GLU CB C 27.374 0.300 1 1265 237 237 GLU N N 123.401 0.300 1 1266 238 238 SER H H 7.890 0.020 1 1267 238 238 SER C C 175.620 0.300 1 1268 238 238 SER CA C 59.712 0.300 1 1269 238 238 SER CB C 62.809 0.300 1 1270 238 238 SER N N 117.282 0.300 1 1271 239 239 LEU H H 7.556 0.020 1 1272 239 239 LEU C C 177.915 0.300 1 1273 239 239 LEU CA C 55.215 0.300 1 1274 239 239 LEU CB C 40.291 0.300 1 1275 239 239 LEU N N 122.311 0.300 1 1276 240 240 GLU H H 7.723 0.020 1 1277 240 240 GLU C C 177.203 0.300 1 1278 240 240 GLU CA C 57.313 0.300 1 1279 240 240 GLU CB C 28.480 0.300 1 1280 240 240 GLU N N 119.679 0.300 1 1281 241 241 SER H H 7.726 0.020 1 1282 241 241 SER C C 174.006 0.300 1 1283 241 241 SER CA C 58.760 0.300 1 1284 241 241 SER CB C 62.740 0.300 1 1285 241 241 SER N N 114.102 0.300 1 1286 242 242 TYR H H 7.707 0.020 1 1287 242 242 TYR C C 174.998 0.300 1 1288 242 242 TYR CA C 57.313 0.300 1 1289 242 242 TYR CB C 37.736 0.300 1 1290 242 242 TYR N N 121.562 0.300 1 1291 243 243 ASP H H 8.123 0.020 1 1292 243 243 ASP C C 175.993 0.300 1 1293 243 243 ASP CA C 53.531 0.300 1 1294 243 243 ASP CB C 39.808 0.300 1 1295 243 243 ASP N N 121.714 0.300 1 1296 244 244 LEU H H 8.194 0.020 1 1297 244 244 LEU C C 177.708 0.300 1 1298 244 244 LEU CA C 54.920 0.300 1 1299 244 244 LEU CB C 40.637 0.300 1 1300 244 244 LEU N N 123.311 0.300 1 1301 245 245 GLU H H 8.243 0.020 1 1302 245 245 GLU C C 176.339 0.300 1 1303 245 245 GLU CA C 56.077 0.300 1 1304 245 245 GLU CB C 28.820 0.300 1 1305 245 245 GLU N N 119.820 0.300 1 1306 246 246 HIS H H 8.091 0.020 1 1307 246 246 HIS C C 174.445 0.300 1 1308 246 246 HIS CA C 55.411 0.300 1 1309 246 246 HIS CB C 28.618 0.300 1 1310 246 246 HIS N N 119.252 0.300 1 stop_ save_