data_19607 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The C-terminal domain of SRA1p has a fold more similar to PRP18 than to an RRM and does not directly bind to the SRA1 RNA STR7 region. ; _BMRB_accession_number 19607 _BMRB_flat_file_name bmr19607.str _Entry_type original _Submission_date 2013-11-10 _Accession_date 2013-11-10 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bilinovich Stephanie M. . 2 Davis Caroline M. . 3 Morris Daniel L. . 4 Ray Louis A. . 5 Prokop Jeremy W. . 6 Buchan Greg J. . 7 Leeper Thomas C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 645 "13C chemical shifts" 536 "15N chemical shifts" 130 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-10 original author . stop_ _Original_release_date 2014-02-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The C-Terminal Domain of SRA1p Has a Fold More Similar to PRP18 than to an RRM and Does Not Directly Bind to the SRA1 RNA STR7 Region.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24486611 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bilinovich Stephanie M. . 2 Davis Caroline M. . 3 Morris Daniel L. . 4 Ray Louis A. . 5 Prokop Jeremy W. . 6 Buchan Gregory J. . 7 Leeper Thomas C. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'C-terminal domain of SRA1p' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'C-terminal domain of SRA1p' $SRA1p_C-terminal_domain 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_SRA1p_C-terminal_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SRA1p_C-terminal_domain _Molecular_mass 14769.870 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 131 _Mol_residue_sequence ; GSEAVMEDVLRPLEQALEDC RGHTRKQVCDDISRRLALLQ EQWAGGKLSIPVKKRMALLV QELSSHRWDAADDIHRSLMV DHVTEVSQWMVGVKRLIAEK RSLFSEEAANEEKSAATAEK NHTIPGFQQAS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 106 GLY 2 107 SER 3 108 GLU 4 109 ALA 5 110 VAL 6 111 MET 7 112 GLU 8 113 ASP 9 114 VAL 10 115 LEU 11 116 ARG 12 117 PRO 13 118 LEU 14 119 GLU 15 120 GLN 16 121 ALA 17 122 LEU 18 123 GLU 19 124 ASP 20 125 CYS 21 126 ARG 22 127 GLY 23 128 HIS 24 129 THR 25 130 ARG 26 131 LYS 27 132 GLN 28 133 VAL 29 134 CYS 30 135 ASP 31 136 ASP 32 137 ILE 33 138 SER 34 139 ARG 35 140 ARG 36 141 LEU 37 142 ALA 38 143 LEU 39 144 LEU 40 145 GLN 41 146 GLU 42 147 GLN 43 148 TRP 44 149 ALA 45 150 GLY 46 151 GLY 47 152 LYS 48 153 LEU 49 154 SER 50 155 ILE 51 156 PRO 52 157 VAL 53 158 LYS 54 159 LYS 55 160 ARG 56 161 MET 57 162 ALA 58 163 LEU 59 164 LEU 60 165 VAL 61 166 GLN 62 167 GLU 63 168 LEU 64 169 SER 65 170 SER 66 171 HIS 67 172 ARG 68 173 TRP 69 174 ASP 70 175 ALA 71 176 ALA 72 177 ASP 73 178 ASP 74 179 ILE 75 180 HIS 76 181 ARG 77 182 SER 78 183 LEU 79 184 MET 80 185 VAL 81 186 ASP 82 187 HIS 83 188 VAL 84 189 THR 85 190 GLU 86 191 VAL 87 192 SER 88 193 GLN 89 194 TRP 90 195 MET 91 196 VAL 92 197 GLY 93 198 VAL 94 199 LYS 95 200 ARG 96 201 LEU 97 202 ILE 98 203 ALA 99 204 GLU 100 205 LYS 101 206 ARG 102 207 SER 103 208 LEU 104 209 PHE 105 210 SER 106 211 GLU 107 212 GLU 108 213 ALA 109 214 ALA 110 215 ASN 111 216 GLU 112 217 GLU 113 218 LYS 114 219 SER 115 220 ALA 116 221 ALA 117 222 THR 118 223 ALA 119 224 GLU 120 225 LYS 121 226 ASN 122 227 HIS 123 228 THR 124 229 ILE 125 230 PRO 126 231 GLY 127 232 PHE 128 233 GLN 129 234 GLN 130 235 ALA 131 236 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2MGX "Nmr Structure Of Sra1p C-terminal Domain" 100.00 131 100.00 100.00 5.28e-89 PDB 4NBO "Human Steroid Receptor Rna Activator Protein Carboxy-terminal Domain" 83.21 111 100.00 100.00 3.08e-71 DBJ BAG51445 "unnamed protein product [Homo sapiens]" 100.00 237 98.47 99.24 4.87e-86 DBJ BAJ20657 "steroid receptor RNA activator 1 [synthetic construct]" 99.24 236 100.00 100.00 2.20e-88 EMBL CAH93286 "hypothetical protein [Pongo abelii]" 98.47 231 97.67 98.45 6.89e-85 GB AAG02114 "steroid receptor RNA activator isoform 1 [Homo sapiens]" 99.24 236 100.00 100.00 2.20e-88 GB AAG02115 "steroid receptor RNA activator isoform 2 [Homo sapiens]" 99.24 236 100.00 100.00 3.01e-88 GB AAG02116 "steroid receptor RNA activator isoform 3 [Homo sapiens]" 100.00 237 98.47 99.24 4.87e-86 GB AAH40043 "SRA1 protein, partial [Homo sapiens]" 99.24 215 100.00 100.00 3.56e-89 GB AAI52789 "Steroid receptor RNA activator 1, partial [synthetic construct]" 99.24 236 100.00 100.00 2.20e-88 REF NP_001030312 "steroid receptor RNA activator 1 isoform 1 [Homo sapiens]" 99.24 236 100.00 100.00 2.20e-88 REF NP_001240693 "steroid receptor RNA activator 1 isoform 2 [Homo sapiens]" 80.92 208 100.00 100.00 7.88e-68 REF XP_001086694 "PREDICTED: steroid receptor RNA activator 1-like [Macaca mulatta]" 98.47 235 96.90 99.22 1.36e-83 REF XP_001137717 "PREDICTED: steroid receptor RNA activator 1 [Pan troglodytes]" 99.24 236 99.23 99.23 7.86e-88 REF XP_002816012 "PREDICTED: steroid receptor RNA activator 1 [Pongo abelii]" 98.47 236 98.45 99.22 7.87e-86 SP Q9HD15 "RecName: Full=Steroid receptor RNA activator 1; AltName: Full=Steroid receptor RNA activator protein; Short=SRAP" 99.24 236 100.00 100.00 2.20e-88 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SRA1p_C-terminal_domain Human 9606 Eukaryota Metazoa Homo sapiens 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 $SRA1p_C-terminal_domain 'recombinant technology' . Escherichia coli . pJexpress 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 'sodium phosphate' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' $SRA1p_C-terminal_domain 0.6 mM '[U-98% 13C; U-98% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' $SRA1p_C-terminal_domain 0.6 mM '[U-98% 13C; U-98% 15N]' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version 2.3 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_CCPN _Saveframe_category software _Name CCPN _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _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_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_HN(COCA)CB_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3d_HNCAintra_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3d HNCAintra' _Sample_label $sample_1 save_ save_3D_HNCACBintra_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACBintra' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_2D_HBCBCGCDCDHE_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HBCBCGCDCDHE' _Sample_label $sample_1 save_ save_2D_HBCBCGCDHD_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HBCBCGCDHD' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _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' 100 . mM pH 7.4 . pH pressure 1 . atm temperature 273 . 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 45 na indirect . . . 0.251449530 water H 1 'methyl protons' ppm 4.7 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 118 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 '3D HNCO' '3D HNCA' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D HNCACB' '3D HN(COCA)CB' '3d HNCAintra' '3D HNCACBintra' '3D HN(CA)CO' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'C-terminal domain of SRA1p' _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 1 107 2 SER HA H 4.479 0.017 1 2 107 2 SER HB2 H 3.880 0.012 1 3 107 2 SER C C 174.351 0.000 1 4 107 2 SER CA C 59.866 0.079 1 5 107 2 SER CB C 65.266 0.113 1 6 108 3 GLU H H 8.574 0.004 1 7 108 3 GLU HA H 4.347 0.014 1 8 108 3 GLU HB2 H 1.953 0.008 2 9 108 3 GLU HB3 H 2.058 0.021 2 10 108 3 GLU HG2 H 2.277 0.016 2 11 108 3 GLU HG3 H 2.249 0.021 2 12 108 3 GLU C C 175.869 0.017 1 13 108 3 GLU CA C 57.652 0.053 1 14 108 3 GLU CB C 31.700 0.064 1 15 108 3 GLU CG C 37.636 0.116 1 16 108 3 GLU N N 122.541 0.007 1 17 109 4 ALA H H 8.410 0.004 1 18 109 4 ALA HA H 4.368 0.010 1 19 109 4 ALA HB H 1.410 0.007 1 20 109 4 ALA C C 177.197 0.006 1 21 109 4 ALA CA C 53.810 0.105 1 22 109 4 ALA CB C 20.751 0.055 1 23 109 4 ALA N N 125.664 0.023 1 24 110 5 VAL H H 8.473 0.004 1 25 110 5 VAL HA H 4.335 0.020 1 26 110 5 VAL HB H 2.232 0.023 1 27 110 5 VAL HG1 H 1.011 0.013 2 28 110 5 VAL HG2 H 0.969 0.017 2 29 110 5 VAL C C 176.849 0.056 1 30 110 5 VAL CA C 62.790 0.056 1 31 110 5 VAL CB C 34.768 0.193 1 32 110 5 VAL CG1 C 23.381 0.143 1 33 110 5 VAL CG2 C 21.878 0.120 1 34 110 5 VAL N N 120.724 0.026 1 35 111 6 MET H H 8.509 0.009 1 36 111 6 MET HA H 2.226 0.008 1 37 111 6 MET HB2 H 1.588 0.010 2 38 111 6 MET HB3 H 1.101 0.009 2 39 111 6 MET HG2 H 1.186 0.009 1 40 111 6 MET HE H 1.931 0.019 1 41 111 6 MET C C 178.030 0.007 1 42 111 6 MET CA C 60.974 0.026 1 43 111 6 MET CB C 34.197 0.112 1 44 111 6 MET CG C 32.543 0.070 1 45 111 6 MET CE C 18.237 0.010 1 46 111 6 MET N N 125.208 0.011 1 47 112 7 GLU H H 9.397 0.006 1 48 112 7 GLU HA H 3.732 0.007 1 49 112 7 GLU HB2 H 1.876 0.014 1 50 112 7 GLU HG2 H 2.147 0.016 2 51 112 7 GLU HG3 H 2.358 0.007 2 52 112 7 GLU C C 177.388 0.028 1 53 112 7 GLU CA C 62.098 0.092 1 54 112 7 GLU CB C 30.496 0.128 1 55 112 7 GLU CG C 38.782 0.045 1 56 112 7 GLU N N 118.056 0.018 1 57 113 8 ASP H H 7.231 0.005 1 58 113 8 ASP HA H 4.385 0.014 1 59 113 8 ASP HB2 H 2.876 0.017 2 60 113 8 ASP HB3 H 2.679 0.020 2 61 113 8 ASP C C 176.742 0.007 1 62 113 8 ASP CA C 57.619 0.129 1 63 113 8 ASP CB C 42.069 0.067 1 64 113 8 ASP N N 117.095 0.017 1 65 114 9 VAL H H 7.214 0.004 1 66 114 9 VAL HA H 3.963 0.011 1 67 114 9 VAL HB H 1.582 0.009 1 68 114 9 VAL HG1 H 0.956 0.011 2 69 114 9 VAL HG2 H 0.789 0.018 2 70 114 9 VAL C C 175.643 0.035 1 71 114 9 VAL CA C 65.371 0.056 1 72 114 9 VAL CB C 33.922 0.072 1 73 114 9 VAL CG1 C 25.726 0.070 1 74 114 9 VAL CG2 C 23.033 0.032 1 75 114 9 VAL N N 118.549 0.006 1 76 115 10 LEU H H 8.019 0.008 1 77 115 10 LEU HA H 3.890 0.004 1 78 115 10 LEU HB2 H 1.480 0.024 1 79 115 10 LEU HG H 0.707 0.014 1 80 115 10 LEU HD2 H 0.468 0.015 1 81 115 10 LEU C C 178.973 0.033 1 82 115 10 LEU CA C 57.497 0.079 1 83 115 10 LEU CB C 42.311 0.057 1 84 115 10 LEU CG C 25.734 0.119 1 85 115 10 LEU CD1 C 23.615 0.046 1 86 115 10 LEU N N 117.461 0.025 1 87 116 11 ARG H H 7.882 0.004 1 88 116 11 ARG HA H 4.292 0.005 1 89 116 11 ARG HB2 H 2.077 0.010 2 90 116 11 ARG HB3 H 1.914 0.007 2 91 116 11 ARG HG2 H 1.745 0.009 1 92 116 11 ARG HD2 H 3.206 0.010 1 93 116 11 ARG C C 176.509 0.000 1 94 116 11 ARG CA C 62.423 0.023 1 95 116 11 ARG CB C 28.327 0.020 1 96 116 11 ARG CG C 29.057 0.000 1 97 116 11 ARG CD C 44.655 0.042 1 98 116 11 ARG N N 117.365 0.016 1 99 117 12 PRO HA H 4.434 0.014 1 100 117 12 PRO HB2 H 1.566 0.007 2 101 117 12 PRO HB3 H 2.344 0.015 2 102 117 12 PRO HG2 H 2.096 0.014 2 103 117 12 PRO HG3 H 2.022 0.009 2 104 117 12 PRO HD2 H 3.550 0.019 2 105 117 12 PRO HD3 H 3.435 0.014 2 106 117 12 PRO C C 180.558 0.000 1 107 117 12 PRO CA C 66.904 0.024 1 108 117 12 PRO CB C 32.861 0.108 1 109 117 12 PRO CG C 29.504 0.002 1 110 117 12 PRO CD C 51.862 0.021 1 111 118 13 LEU H H 6.990 0.006 1 112 118 13 LEU HA H 4.060 0.015 1 113 118 13 LEU HB2 H 1.321 0.011 2 114 118 13 LEU HB3 H 2.114 0.014 2 115 118 13 LEU HG H 2.005 0.011 1 116 118 13 LEU HD1 H 0.659 0.030 2 117 118 13 LEU HD2 H 0.729 0.013 2 118 118 13 LEU C C 177.453 0.013 1 119 118 13 LEU CA C 59.318 0.087 1 120 118 13 LEU CB C 42.719 0.069 1 121 118 13 LEU CG C 27.794 0.075 1 122 118 13 LEU CD1 C 24.467 0.088 1 123 118 13 LEU CD2 C 27.855 0.000 1 124 118 13 LEU N N 117.046 0.036 1 125 119 14 GLU H H 8.451 0.005 1 126 119 14 GLU HA H 3.789 0.008 1 127 119 14 GLU HB2 H 2.001 0.024 2 128 119 14 GLU HB3 H 2.216 0.017 2 129 119 14 GLU HG2 H 2.395 0.008 2 130 119 14 GLU HG3 H 2.238 0.015 2 131 119 14 GLU C C 180.390 0.012 1 132 119 14 GLU CA C 60.926 0.062 1 133 119 14 GLU CB C 30.835 0.035 1 134 119 14 GLU CG C 33.421 0.015 1 135 119 14 GLU N N 119.211 0.022 1 136 120 15 GLN H H 8.579 0.005 1 137 120 15 GLN HA H 3.981 0.011 1 138 120 15 GLN HB2 H 2.096 0.021 2 139 120 15 GLN HB3 H 2.189 0.003 2 140 120 15 GLN HG2 H 2.408 0.014 2 141 120 15 GLN HG3 H 2.633 0.009 2 142 120 15 GLN HE21 H 6.901 0.006 1 143 120 15 GLN HE22 H 7.578 0.005 1 144 120 15 GLN C C 177.214 0.007 1 145 120 15 GLN CA C 59.674 0.065 1 146 120 15 GLN CB C 29.900 0.076 1 147 120 15 GLN CG C 37.746 0.052 1 148 120 15 GLN N N 119.767 0.001 1 149 120 15 GLN NE2 N 111.781 0.011 1 150 121 16 ALA H H 7.896 0.007 1 151 121 16 ALA HA H 4.302 0.013 1 152 121 16 ALA HB H 1.551 0.014 1 153 121 16 ALA C C 179.006 0.000 1 154 121 16 ALA CA C 56.106 0.075 1 155 121 16 ALA CB C 18.796 0.112 1 156 121 16 ALA N N 121.251 0.018 1 157 122 17 LEU H H 7.949 0.005 1 158 122 17 LEU HA H 4.023 0.011 1 159 122 17 LEU HB2 H 2.165 0.033 2 160 122 17 LEU HB3 H 1.349 0.009 2 161 122 17 LEU HG H 1.587 0.011 1 162 122 17 LEU HD2 H 0.984 0.014 1 163 122 17 LEU C C 178.678 0.010 1 164 122 17 LEU CA C 59.430 0.106 1 165 122 17 LEU CB C 42.169 0.083 1 166 122 17 LEU CG C 28.457 0.070 1 167 122 17 LEU CD1 C 23.665 0.173 1 168 122 17 LEU N N 118.681 0.052 1 169 123 18 GLU H H 7.969 0.005 1 170 123 18 GLU HA H 3.991 0.009 1 171 123 18 GLU HB2 H 2.048 0.007 2 172 123 18 GLU HB3 H 2.189 0.007 2 173 123 18 GLU HG2 H 2.399 0.013 2 174 123 18 GLU HG3 H 2.893 0.003 2 175 123 18 GLU C C 179.753 0.022 1 176 123 18 GLU CA C 60.882 0.118 1 177 123 18 GLU CB C 29.848 0.062 1 178 123 18 GLU CG C 36.034 0.010 1 179 123 18 GLU N N 119.947 0.021 1 180 124 19 ASP H H 8.294 0.011 1 181 124 19 ASP HA H 4.354 0.030 1 182 124 19 ASP HB2 H 2.698 0.011 2 183 124 19 ASP HB3 H 3.207 0.008 2 184 124 19 ASP C C 177.642 0.034 1 185 124 19 ASP CA C 58.225 0.025 1 186 124 19 ASP CB C 42.086 0.038 1 187 124 19 ASP N N 118.471 0.008 1 188 125 20 CYS H H 7.616 0.008 1 189 125 20 CYS HA H 4.285 0.007 1 190 125 20 CYS HB2 H 3.250 0.025 2 191 125 20 CYS HB3 H 3.157 0.016 2 192 125 20 CYS C C 176.051 0.048 1 193 125 20 CYS CA C 63.028 0.093 1 194 125 20 CYS CB C 28.398 0.070 1 195 125 20 CYS N N 115.072 0.051 1 196 126 21 ARG H H 7.728 0.007 1 197 126 21 ARG HA H 4.186 0.005 1 198 126 21 ARG HB2 H 1.775 0.020 2 199 126 21 ARG HB3 H 2.019 0.011 2 200 126 21 ARG HG2 H 1.876 0.002 2 201 126 21 ARG HG3 H 1.666 0.006 2 202 126 21 ARG HD2 H 3.280 0.022 1 203 126 21 ARG C C 177.484 0.072 1 204 126 21 ARG CA C 60.709 0.019 1 205 126 21 ARG CB C 30.886 0.080 1 206 126 21 ARG CG C 29.618 0.003 1 207 126 21 ARG CD C 44.716 0.040 1 208 126 21 ARG N N 122.228 0.011 1 209 127 22 GLY H H 8.899 0.006 1 210 127 22 GLY HA2 H 4.097 0.004 2 211 127 22 GLY HA3 H 3.674 0.012 2 212 127 22 GLY C C 173.625 0.006 1 213 127 22 GLY CA C 46.604 0.011 1 214 127 22 GLY N N 110.838 0.013 1 215 128 23 HIS H H 7.950 0.004 1 216 128 23 HIS HA H 4.622 0.014 1 217 128 23 HIS HB2 H 3.113 0.026 2 218 128 23 HIS HB3 H 3.061 0.023 2 219 128 23 HIS HD1 H 6.977 0.003 1 220 128 23 HIS C C 174.621 0.000 1 221 128 23 HIS CA C 58.533 0.082 1 222 128 23 HIS CB C 32.277 0.010 1 223 128 23 HIS N N 118.865 0.008 1 224 129 24 THR H H 8.298 0.007 1 225 129 24 THR HA H 4.070 0.012 1 226 129 24 THR HB H 3.410 0.011 1 227 129 24 THR HG2 H 1.264 0.011 1 228 129 24 THR C C 173.494 0.013 1 229 129 24 THR CA C 64.464 0.142 1 230 129 24 THR CB C 70.755 0.143 1 231 129 24 THR CG2 C 23.889 0.058 1 232 129 24 THR N N 120.772 0.000 1 233 130 25 ARG H H 8.682 0.003 1 234 130 25 ARG HA H 4.143 0.020 1 235 130 25 ARG HB2 H 1.998 0.010 2 236 130 25 ARG HB3 H 1.836 0.007 2 237 130 25 ARG HG2 H 1.258 0.000 1 238 130 25 ARG HD2 H 3.290 0.004 1 239 130 25 ARG C C 178.098 0.000 1 240 130 25 ARG CA C 58.467 0.004 1 241 130 25 ARG CB C 32.071 0.062 1 242 130 25 ARG CD C 44.138 0.000 1 243 130 25 ARG N N 126.026 0.015 1 244 131 26 LYS HA H 3.850 0.003 1 245 131 26 LYS HB2 H 1.980 0.007 2 246 131 26 LYS HB3 H 1.807 0.017 2 247 131 26 LYS HD2 H 1.450 0.019 2 248 131 26 LYS HD3 H 1.392 0.003 2 249 131 26 LYS HE2 H 3.001 0.041 1 250 131 26 LYS C C 177.640 0.000 1 251 131 26 LYS CA C 62.341 0.006 1 252 131 26 LYS CB C 34.132 0.045 1 253 131 26 LYS CD C 27.108 0.017 1 254 131 26 LYS CE C 43.432 0.050 1 255 132 27 GLN H H 9.043 0.005 1 256 132 27 GLN HA H 4.087 0.011 1 257 132 27 GLN HB2 H 2.040 0.019 1 258 132 27 GLN HG2 H 2.515 0.015 1 259 132 27 GLN C C 178.892 0.006 1 260 132 27 GLN CA C 60.988 0.058 1 261 132 27 GLN CB C 29.818 0.099 1 262 132 27 GLN CG C 35.489 0.110 1 263 132 27 GLN N N 115.737 0.003 1 264 133 28 VAL H H 6.906 0.005 1 265 133 28 VAL HA H 3.836 0.012 1 266 133 28 VAL HB H 2.180 0.012 1 267 133 28 VAL HG1 H 0.862 0.008 2 268 133 28 VAL HG2 H 0.964 0.019 2 269 133 28 VAL C C 178.466 0.039 1 270 133 28 VAL CA C 66.668 0.064 1 271 133 28 VAL CB C 33.027 0.089 1 272 133 28 VAL CG1 C 21.952 0.027 1 273 133 28 VAL CG2 C 22.137 0.070 1 274 133 28 VAL N N 119.048 0.014 1 275 134 29 CYS H H 7.766 0.009 1 276 134 29 CYS HA H 3.921 0.014 1 277 134 29 CYS HB2 H 3.199 0.018 2 278 134 29 CYS HB3 H 2.583 0.014 2 279 134 29 CYS C C 176.533 0.153 1 280 134 29 CYS CA C 65.595 0.164 1 281 134 29 CYS CB C 27.855 0.165 1 282 134 29 CYS N N 118.609 0.004 1 283 135 30 ASP H H 8.955 0.004 1 284 135 30 ASP HA H 4.356 0.010 1 285 135 30 ASP HB2 H 2.677 0.020 1 286 135 30 ASP C C 178.622 0.021 1 287 135 30 ASP CA C 58.458 0.053 1 288 135 30 ASP CB C 41.014 0.082 1 289 135 30 ASP N N 119.650 0.005 1 290 136 31 ASP H H 7.593 0.005 1 291 136 31 ASP HA H 4.483 0.013 1 292 136 31 ASP HB2 H 2.833 0.011 1 293 136 31 ASP C C 178.367 0.025 1 294 136 31 ASP CA C 59.253 0.028 1 295 136 31 ASP CB C 43.268 0.080 1 296 136 31 ASP N N 121.599 0.026 1 297 137 32 ILE H H 8.427 0.006 1 298 137 32 ILE HA H 3.475 0.013 1 299 137 32 ILE HB H 2.056 0.016 1 300 137 32 ILE HG13 H 1.222 0.005 1 301 137 32 ILE HG2 H 0.933 0.016 1 302 137 32 ILE HD1 H 0.754 0.012 1 303 137 32 ILE C C 178.280 0.095 1 304 137 32 ILE CA C 68.576 0.098 1 305 137 32 ILE CB C 39.050 0.072 1 306 137 32 ILE CG1 C 29.946 0.037 1 307 137 32 ILE CG2 C 20.275 0.050 1 308 137 32 ILE CD1 C 15.103 0.013 1 309 137 32 ILE N N 118.951 0.002 1 310 138 33 SER H H 8.703 0.009 1 311 138 33 SER HA H 4.039 0.004 1 312 138 33 SER HB2 H 3.857 0.021 1 313 138 33 SER C C 177.587 0.000 1 314 138 33 SER CA C 63.972 0.128 1 315 138 33 SER CB C 67.648 0.005 1 316 138 33 SER N N 114.230 0.011 1 317 139 34 ARG H H 7.910 0.008 1 318 139 34 ARG HA H 4.165 0.003 1 319 139 34 ARG HB3 H 2.048 0.026 1 320 139 34 ARG HG2 H 1.670 0.011 1 321 139 34 ARG HD2 H 3.283 0.004 1 322 139 34 ARG C C 179.544 0.000 1 323 139 34 ARG CA C 60.826 0.029 1 324 139 34 ARG CB C 31.689 0.026 1 325 139 34 ARG CG C 29.344 0.000 1 326 139 34 ARG CD C 45.027 0.000 1 327 139 34 ARG N N 120.733 0.067 1 328 140 35 ARG H H 8.158 0.010 1 329 140 35 ARG HA H 4.279 0.007 1 330 140 35 ARG HB2 H 2.502 0.013 2 331 140 35 ARG HB3 H 2.241 0.010 2 332 140 35 ARG C C 178.626 0.005 1 333 140 35 ARG CA C 60.440 0.126 1 334 140 35 ARG CB C 31.195 0.088 1 335 140 35 ARG N N 119.560 0.020 1 336 141 36 LEU H H 8.920 0.005 1 337 141 36 LEU HA H 4.029 0.011 1 338 141 36 LEU HB2 H 1.355 0.016 2 339 141 36 LEU HB3 H 2.063 0.014 2 340 141 36 LEU HD1 H 0.756 0.011 2 341 141 36 LEU HD2 H 0.705 0.005 2 342 141 36 LEU C C 179.120 0.014 1 343 141 36 LEU CA C 58.958 0.099 1 344 141 36 LEU CB C 41.783 0.039 1 345 141 36 LEU CD1 C 27.097 0.031 1 346 141 36 LEU CD2 C 24.015 0.050 1 347 141 36 LEU N N 119.240 0.016 1 348 142 37 ALA H H 7.927 0.005 1 349 142 37 ALA HA H 4.190 0.016 1 350 142 37 ALA HB H 1.543 0.016 1 351 142 37 ALA C C 180.545 0.004 1 352 142 37 ALA CA C 56.403 0.075 1 353 142 37 ALA CB C 18.985 0.079 1 354 142 37 ALA N N 121.973 0.010 1 355 143 38 LEU H H 7.592 0.006 1 356 143 38 LEU HA H 3.970 0.009 1 357 143 38 LEU HB2 H 2.079 0.007 2 358 143 38 LEU HB3 H 1.838 0.017 2 359 143 38 LEU HG H 1.593 0.026 1 360 143 38 LEU HD1 H 1.077 0.012 2 361 143 38 LEU HD2 H 1.022 0.012 2 362 143 38 LEU C C 178.453 0.037 1 363 143 38 LEU CA C 59.113 0.080 1 364 143 38 LEU CB C 43.463 0.042 1 365 143 38 LEU CG C 29.000 0.059 1 366 143 38 LEU CD1 C 26.384 0.032 1 367 143 38 LEU CD2 C 25.879 0.044 1 368 143 38 LEU N N 120.856 0.018 1 369 144 39 LEU H H 7.753 0.011 1 370 144 39 LEU HA H 3.045 0.012 1 371 144 39 LEU HB2 H 0.611 0.009 2 372 144 39 LEU HB3 H 1.899 0.022 2 373 144 39 LEU HG H 1.015 0.011 1 374 144 39 LEU HD1 H -0.327 0.008 2 375 144 39 LEU HD2 H 0.359 0.009 2 376 144 39 LEU C C 177.353 0.001 1 377 144 39 LEU CA C 59.832 0.062 1 378 144 39 LEU CB C 41.243 0.074 1 379 144 39 LEU CG C 28.776 0.049 1 380 144 39 LEU CD1 C 27.545 0.006 1 381 144 39 LEU CD2 C 22.560 0.061 1 382 144 39 LEU N N 122.265 0.013 1 383 145 40 GLN H H 8.016 0.007 1 384 145 40 GLN HA H 3.776 0.014 1 385 145 40 GLN HB2 H 2.056 0.024 1 386 145 40 GLN HG2 H 2.398 0.009 1 387 145 40 GLN HE21 H 7.110 0.030 1 388 145 40 GLN HE22 H 6.772 0.004 1 389 145 40 GLN C C 177.136 0.007 1 390 145 40 GLN CA C 61.019 0.026 1 391 145 40 GLN CB C 29.422 0.037 1 392 145 40 GLN CG C 35.428 0.092 1 393 145 40 GLN N N 118.220 0.034 1 394 145 40 GLN NE2 N 110.354 0.015 1 395 146 41 GLU H H 8.170 0.004 1 396 146 41 GLU HA H 4.002 0.006 1 397 146 41 GLU HB2 H 2.213 0.022 1 398 146 41 GLU HG2 H 2.484 0.038 1 399 146 41 GLU C C 180.779 0.000 1 400 146 41 GLU CA C 60.849 0.082 1 401 146 41 GLU CB C 31.421 0.152 1 402 146 41 GLU CG C 36.174 0.006 1 403 146 41 GLU N N 119.018 0.013 1 404 147 42 GLN H H 8.608 0.010 1 405 147 42 GLN HA H 3.983 0.003 1 406 147 42 GLN HB2 H 2.137 0.035 1 407 147 42 GLN HE21 H 7.410 0.005 1 408 147 42 GLN HE22 H 6.968 0.003 1 409 147 42 GLN C C 177.859 0.025 1 410 147 42 GLN CA C 60.919 0.026 1 411 147 42 GLN CB C 29.849 0.094 1 412 147 42 GLN N N 120.239 0.014 1 413 147 42 GLN NE2 N 107.888 0.005 1 414 148 43 TRP H H 8.881 0.006 1 415 148 43 TRP HA H 3.992 0.008 1 416 148 43 TRP HB2 H 3.215 0.018 2 417 148 43 TRP HB3 H 3.362 0.008 2 418 148 43 TRP HD1 H 7.154 0.028 1 419 148 43 TRP HE1 H 10.483 0.006 1 420 148 43 TRP HE3 H 6.630 0.010 1 421 148 43 TRP HZ2 H 7.271 0.013 1 422 148 43 TRP HZ3 H 7.068 0.015 1 423 148 43 TRP HH2 H 7.298 0.011 1 424 148 43 TRP C C 181.352 0.008 1 425 148 43 TRP CA C 61.600 0.082 1 426 148 43 TRP CB C 29.397 0.072 1 427 148 43 TRP CD1 C 127.525 0.037 1 428 148 43 TRP CE3 C 121.527 0.093 1 429 148 43 TRP CZ2 C 115.397 0.044 1 430 148 43 TRP CZ3 C 121.424 0.006 1 431 148 43 TRP CH2 C 124.305 0.000 1 432 148 43 TRP N N 121.895 0.011 1 433 148 43 TRP NE1 N 131.055 0.046 1 434 149 44 ALA H H 9.342 0.005 1 435 149 44 ALA HA H 4.339 0.014 1 436 149 44 ALA HB H 1.538 0.017 1 437 149 44 ALA C C 179.414 0.017 1 438 149 44 ALA CA C 56.420 0.070 1 439 149 44 ALA CB C 19.553 0.056 1 440 149 44 ALA N N 123.550 0.127 1 441 150 45 GLY H H 7.961 0.008 1 442 150 45 GLY HA2 H 4.324 0.008 2 443 150 45 GLY HA3 H 3.845 0.019 2 444 150 45 GLY C C 174.719 0.010 1 445 150 45 GLY CA C 46.410 0.140 1 446 150 45 GLY N N 103.278 0.005 1 447 151 46 GLY H H 7.792 0.004 1 448 151 46 GLY HA2 H 4.145 0.017 2 449 151 46 GLY HA3 H 3.521 0.003 2 450 151 46 GLY C C 175.708 0.003 1 451 151 46 GLY CA C 48.024 0.033 1 452 151 46 GLY N N 107.927 0.006 1 453 152 47 LYS H H 8.222 0.004 1 454 152 47 LYS HA H 4.340 0.008 1 455 152 47 LYS HB2 H 1.695 0.029 2 456 152 47 LYS HB3 H 2.180 0.007 2 457 152 47 LYS HG2 H 1.385 0.012 2 458 152 47 LYS HG3 H 1.497 0.010 2 459 152 47 LYS HD2 H 2.394 0.010 1 460 152 47 LYS HE2 H 3.030 0.015 1 461 152 47 LYS C C 176.210 0.058 1 462 152 47 LYS CA C 57.042 0.065 1 463 152 47 LYS CB C 34.144 0.052 1 464 152 47 LYS CG C 26.699 0.048 1 465 152 47 LYS CE C 43.132 0.002 1 466 152 47 LYS N N 116.887 0.017 1 467 153 48 LEU H H 8.009 0.010 1 468 153 48 LEU HA H 4.848 0.007 1 469 153 48 LEU HB2 H 0.979 0.012 2 470 153 48 LEU HB3 H 1.291 0.020 2 471 153 48 LEU HG H 1.111 0.006 1 472 153 48 LEU HD2 H 0.687 0.011 1 473 153 48 LEU C C 176.180 0.043 1 474 153 48 LEU CA C 54.428 0.046 1 475 153 48 LEU CB C 44.858 0.056 1 476 153 48 LEU CG C 25.939 0.030 1 477 153 48 LEU CD1 C 27.681 0.019 1 478 153 48 LEU N N 119.060 0.008 1 479 154 49 SER H H 9.663 0.007 1 480 154 49 SER HA H 4.287 0.021 1 481 154 49 SER HB2 H 4.142 0.033 1 482 154 49 SER C C 174.777 0.000 1 483 154 49 SER CA C 59.173 0.051 1 484 154 49 SER CB C 66.026 0.091 1 485 154 49 SER N N 121.240 0.018 1 486 155 50 ILE H H 8.744 0.005 1 487 155 50 ILE HA H 3.650 0.010 1 488 155 50 ILE HB H 2.035 0.006 1 489 155 50 ILE HG12 H 1.732 0.019 2 490 155 50 ILE HG13 H 1.231 0.012 2 491 155 50 ILE HG2 H 0.989 0.027 1 492 155 50 ILE HD1 H 0.935 0.014 1 493 155 50 ILE C C 174.817 0.000 1 494 155 50 ILE CA C 68.001 0.047 1 495 155 50 ILE CB C 37.115 0.061 1 496 155 50 ILE CG1 C 31.156 0.027 1 497 155 50 ILE CG2 C 20.743 0.022 1 498 155 50 ILE CD1 C 18.548 0.013 1 499 155 50 ILE N N 120.889 0.004 1 500 156 51 PRO HA H 4.222 0.006 1 501 156 51 PRO HB2 H 1.578 0.016 2 502 156 51 PRO HB3 H 2.374 0.010 2 503 156 51 PRO HG2 H 2.111 0.015 2 504 156 51 PRO HG3 H 2.022 0.013 2 505 156 51 PRO HD2 H 3.783 0.024 2 506 156 51 PRO HD3 H 3.711 0.022 2 507 156 51 PRO C C 179.249 0.000 1 508 156 51 PRO CA C 67.321 0.028 1 509 156 51 PRO CB C 32.698 0.099 1 510 156 51 PRO CG C 29.874 0.066 1 511 156 51 PRO CD C 50.929 0.046 1 512 157 52 VAL H H 6.543 0.016 1 513 157 52 VAL HA H 3.246 0.019 1 514 157 52 VAL HB H 2.028 0.019 1 515 157 52 VAL HG1 H 0.920 0.016 2 516 157 52 VAL HG2 H 0.426 0.013 2 517 157 52 VAL C C 177.458 0.000 1 518 157 52 VAL CA C 67.830 0.064 1 519 157 52 VAL CB C 32.736 0.083 1 520 157 52 VAL CG1 C 23.366 0.071 1 521 157 52 VAL CG2 C 24.543 0.057 1 522 157 52 VAL N N 116.081 0.016 1 523 158 53 LYS H H 7.678 0.007 1 524 158 53 LYS HA H 3.346 0.008 1 525 158 53 LYS HB2 H 1.379 0.011 2 526 158 53 LYS HB3 H 1.694 0.010 2 527 158 53 LYS HG2 H -0.976 0.005 2 528 158 53 LYS HG3 H 0.772 0.018 2 529 158 53 LYS HD2 H 0.918 0.014 2 530 158 53 LYS HD3 H 1.034 0.022 2 531 158 53 LYS HE2 H 2.384 0.007 1 532 158 53 LYS C C 179.120 0.024 1 533 158 53 LYS CA C 62.091 0.049 1 534 158 53 LYS CB C 33.906 0.047 1 535 158 53 LYS CG C 26.245 0.083 1 536 158 53 LYS CD C 31.379 0.053 1 537 158 53 LYS CE C 42.217 0.025 1 538 158 53 LYS N N 119.683 0.020 1 539 159 54 LYS H H 8.481 0.005 1 540 159 54 LYS HA H 3.994 0.006 1 541 159 54 LYS HB2 H 1.852 0.017 1 542 159 54 LYS HG2 H 1.389 0.007 1 543 159 54 LYS HD2 H 1.620 0.012 1 544 159 54 LYS HE2 H 2.931 0.012 1 545 159 54 LYS C C 180.318 0.017 1 546 159 54 LYS CA C 61.186 0.019 1 547 159 54 LYS CB C 34.228 0.094 1 548 159 54 LYS CG C 27.045 0.041 1 549 159 54 LYS CD C 26.878 0.024 1 550 159 54 LYS CE C 42.780 0.078 1 551 159 54 LYS N N 117.028 0.039 1 552 160 55 ARG H H 8.112 0.007 1 553 160 55 ARG HA H 4.111 0.009 1 554 160 55 ARG HB2 H 1.755 0.014 2 555 160 55 ARG HB3 H 1.996 0.010 2 556 160 55 ARG HD2 H 3.061 0.010 2 557 160 55 ARG HD3 H 3.156 0.006 2 558 160 55 ARG C C 178.789 0.076 1 559 160 55 ARG CA C 60.886 0.036 1 560 160 55 ARG CB C 31.761 0.111 1 561 160 55 ARG CD C 44.635 0.033 1 562 160 55 ARG N N 118.837 0.014 1 563 161 56 MET H H 8.642 0.007 1 564 161 56 MET HA H 4.886 0.007 1 565 161 56 MET HB2 H 2.007 0.015 2 566 161 56 MET HB3 H 2.636 0.018 2 567 161 56 MET HG2 H 2.899 0.006 2 568 161 56 MET HG3 H 2.627 0.022 2 569 161 56 MET HE H 1.982 0.006 1 570 161 56 MET C C 178.599 0.013 1 571 161 56 MET CA C 56.947 0.034 1 572 161 56 MET CB C 30.642 0.055 1 573 161 56 MET CG C 35.084 0.045 1 574 161 56 MET CE C 16.998 0.007 1 575 161 56 MET N N 118.107 0.017 1 576 162 57 ALA H H 8.058 0.009 1 577 162 57 ALA HA H 4.182 0.012 1 578 162 57 ALA HB H 1.548 0.017 1 579 162 57 ALA C C 180.324 0.000 1 580 162 57 ALA CA C 56.796 0.049 1 581 162 57 ALA CB C 18.756 0.085 1 582 162 57 ALA N N 122.349 0.018 1 583 163 58 LEU H H 7.491 0.005 1 584 163 58 LEU HA H 4.197 0.009 1 585 163 58 LEU HB2 H 1.811 0.011 1 586 163 58 LEU HG H 1.662 0.025 1 587 163 58 LEU HD1 H 0.991 0.019 2 588 163 58 LEU HD2 H 0.914 0.010 2 589 163 58 LEU C C 178.571 0.000 1 590 163 58 LEU CA C 59.049 0.062 1 591 163 58 LEU CB C 42.902 0.018 1 592 163 58 LEU CG C 29.307 0.011 1 593 163 58 LEU CD1 C 27.231 0.067 1 594 163 58 LEU CD2 C 26.013 0.034 1 595 163 58 LEU N N 119.486 0.008 1 596 164 59 LEU H H 8.752 0.005 1 597 164 59 LEU HA H 3.829 0.009 1 598 164 59 LEU HB2 H 2.032 0.020 2 599 164 59 LEU HB3 H 2.270 0.021 2 600 164 59 LEU HG H 1.974 0.004 1 601 164 59 LEU HD1 H 0.873 0.011 2 602 164 59 LEU HD2 H 1.073 0.011 2 603 164 59 LEU C C 179.708 0.005 1 604 164 59 LEU CA C 62.588 0.059 1 605 164 59 LEU CB C 43.391 0.102 1 606 164 59 LEU CG C 29.791 0.015 1 607 164 59 LEU CD1 C 29.267 0.131 2 608 164 59 LEU CD2 C 25.936 0.043 2 609 164 59 LEU N N 122.488 0.014 1 610 165 60 VAL H H 8.359 0.007 1 611 165 60 VAL HA H 3.746 0.007 1 612 165 60 VAL HB H 2.284 0.013 1 613 165 60 VAL HG1 H 1.225 0.014 2 614 165 60 VAL HG2 H 1.345 0.014 2 615 165 60 VAL C C 178.030 0.000 1 616 165 60 VAL CA C 68.299 0.054 1 617 165 60 VAL CB C 32.984 0.040 1 618 165 60 VAL CG1 C 24.007 0.130 1 619 165 60 VAL CG2 C 23.027 0.009 1 620 165 60 VAL N N 115.510 0.023 1 621 166 61 GLN H H 7.814 0.011 1 622 166 61 GLN HA H 4.123 0.009 1 623 166 61 GLN HB2 H 2.299 0.013 1 624 166 61 GLN HG2 H 2.455 0.010 1 625 166 61 GLN HE21 H 6.756 0.004 1 626 166 61 GLN HE22 H 7.452 0.009 1 627 166 61 GLN C C 179.298 0.064 1 628 166 61 GLN CA C 60.447 0.121 1 629 166 61 GLN CB C 29.702 0.012 1 630 166 61 GLN CG C 35.182 0.142 1 631 166 61 GLN N N 123.522 0.022 1 632 166 61 GLN NE2 N 111.599 0.022 1 633 167 62 GLU H H 8.235 0.008 1 634 167 62 GLU HA H 4.568 0.007 1 635 167 62 GLU HB2 H 1.896 0.017 2 636 167 62 GLU HB3 H 2.330 0.023 2 637 167 62 GLU HG2 H 2.600 0.004 1 638 167 62 GLU C C 179.546 0.000 1 639 167 62 GLU CA C 59.592 0.006 1 640 167 62 GLU CB C 29.745 0.035 1 641 167 62 GLU CG C 35.756 0.000 1 642 167 62 GLU N N 119.540 0.017 1 643 168 63 LEU H H 8.606 0.007 1 644 168 63 LEU HA H 3.742 0.008 1 645 168 63 LEU HB2 H 2.008 0.015 2 646 168 63 LEU HB3 H 1.559 0.011 2 647 168 63 LEU HG H 1.833 0.011 1 648 168 63 LEU HD1 H 1.032 0.007 2 649 168 63 LEU HD2 H 0.867 0.015 2 650 168 63 LEU C C 180.824 0.043 1 651 168 63 LEU CA C 59.810 0.140 1 652 168 63 LEU CB C 44.339 0.057 1 653 168 63 LEU CG C 28.149 0.031 1 654 168 63 LEU CD1 C 26.686 0.081 1 655 168 63 LEU CD2 C 27.107 0.040 1 656 168 63 LEU N N 120.668 0.030 1 657 169 64 SER H H 8.771 0.008 1 658 169 64 SER HA H 4.171 0.018 1 659 169 64 SER HB2 H 3.952 0.009 1 660 169 64 SER C C 174.826 0.000 1 661 169 64 SER CA C 62.924 0.145 1 662 169 64 SER CB C 64.451 0.167 1 663 169 64 SER N N 116.809 0.039 1 664 170 65 SER H H 7.235 0.004 1 665 170 65 SER HA H 4.217 0.015 1 666 170 65 SER HB2 H 3.730 0.008 2 667 170 65 SER HB3 H 3.914 0.014 2 668 170 65 SER C C 172.334 0.069 1 669 170 65 SER CA C 59.713 0.087 1 670 170 65 SER CB C 64.736 0.067 1 671 170 65 SER N N 114.550 0.018 1 672 171 66 HIS H H 7.478 0.006 1 673 171 66 HIS HA H 2.083 0.020 1 674 171 66 HIS HB2 H 3.108 0.011 2 675 171 66 HIS HB3 H 2.468 0.008 2 676 171 66 HIS HD1 H 6.866 0.009 1 677 171 66 HIS HE1 H 7.723 0.027 1 678 171 66 HIS C C 173.019 0.045 1 679 171 66 HIS CA C 56.195 0.113 1 680 171 66 HIS CB C 27.171 0.199 1 681 171 66 HIS CD2 C 120.990 0.000 1 682 171 66 HIS CE1 C 139.693 0.000 1 683 171 66 HIS N N 113.323 0.037 1 684 172 67 ARG H H 7.778 0.006 1 685 172 67 ARG HA H 4.190 0.012 1 686 172 67 ARG HB2 H 1.319 0.008 2 687 172 67 ARG HB3 H 1.816 0.018 2 688 172 67 ARG HD2 H 3.156 0.008 2 689 172 67 ARG HD3 H 3.202 0.015 2 690 172 67 ARG C C 176.406 0.025 1 691 172 67 ARG CA C 56.224 0.052 1 692 172 67 ARG CB C 28.760 0.061 1 693 172 67 ARG CD C 44.650 0.000 1 694 172 67 ARG N N 120.421 0.045 1 695 173 68 TRP H H 6.458 0.009 1 696 173 68 TRP HA H 4.077 0.056 1 697 173 68 TRP HB2 H 3.246 0.023 2 698 173 68 TRP HB3 H 3.088 0.024 2 699 173 68 TRP HD1 H 7.260 0.031 1 700 173 68 TRP HE1 H 9.822 0.006 1 701 173 68 TRP HE3 H 7.300 0.040 1 702 173 68 TRP HZ2 H 6.760 0.003 1 703 173 68 TRP HZ3 H 6.908 0.008 1 704 173 68 TRP HH2 H 7.415 0.018 1 705 173 68 TRP C C 178.610 0.007 1 706 173 68 TRP CA C 59.805 0.082 1 707 173 68 TRP CB C 31.826 0.104 1 708 173 68 TRP CD1 C 122.000 0.000 1 709 173 68 TRP CE3 C 122.901 0.000 1 710 173 68 TRP CZ2 C 116.150 0.000 1 711 173 68 TRP CZ3 C 123.441 0.000 1 712 173 68 TRP N N 119.398 0.080 1 713 173 68 TRP NE1 N 130.049 0.055 1 714 174 69 ASP H H 8.632 0.006 1 715 174 69 ASP HA H 4.395 0.024 1 716 174 69 ASP HB2 H 2.708 0.033 2 717 174 69 ASP HB3 H 2.834 0.016 2 718 174 69 ASP C C 178.097 0.020 1 719 174 69 ASP CA C 58.603 0.127 1 720 174 69 ASP CB C 41.348 0.081 1 721 174 69 ASP N N 116.076 0.019 1 722 175 70 ALA H H 7.813 0.005 1 723 175 70 ALA HA H 4.225 0.011 1 724 175 70 ALA HB H 1.468 0.013 1 725 175 70 ALA C C 181.054 0.001 1 726 175 70 ALA CA C 56.230 0.126 1 727 175 70 ALA CB C 19.422 0.116 1 728 175 70 ALA N N 123.837 0.056 1 729 176 71 ALA H H 8.160 0.005 1 730 176 71 ALA HA H 4.084 0.009 1 731 176 71 ALA HB H 1.491 0.024 1 732 176 71 ALA C C 179.002 0.021 1 733 176 71 ALA CA C 56.892 0.021 1 734 176 71 ALA CB C 19.135 0.119 1 735 176 71 ALA N N 120.251 0.020 1 736 177 72 ASP H H 8.698 0.005 1 737 177 72 ASP HA H 4.623 0.014 1 738 177 72 ASP HB2 H 2.969 0.018 2 739 177 72 ASP HB3 H 2.931 0.004 2 740 177 72 ASP C C 178.875 0.040 1 741 177 72 ASP CA C 58.921 0.038 1 742 177 72 ASP CB C 43.043 0.044 1 743 177 72 ASP N N 118.563 0.022 1 744 178 73 ASP H H 8.549 0.008 1 745 178 73 ASP HA H 4.361 0.002 1 746 178 73 ASP HB2 H 2.663 0.019 2 747 178 73 ASP HB3 H 2.875 0.007 2 748 178 73 ASP C C 179.303 0.030 1 749 178 73 ASP CA C 59.077 0.055 1 750 178 73 ASP CB C 42.178 0.008 1 751 178 73 ASP N N 119.854 0.011 1 752 179 74 ILE H H 7.785 0.005 1 753 179 74 ILE HA H 3.811 0.011 1 754 179 74 ILE HB H 1.940 0.013 1 755 179 74 ILE HG13 H 1.116 0.017 1 756 179 74 ILE HG2 H 1.038 0.009 1 757 179 74 ILE HD1 H 0.891 0.007 1 758 179 74 ILE C C 176.483 0.000 1 759 179 74 ILE CA C 66.453 0.091 1 760 179 74 ILE CB C 39.172 0.023 1 761 179 74 ILE CG1 C 30.817 0.077 1 762 179 74 ILE CG2 C 20.563 0.009 1 763 179 74 ILE CD1 C 15.805 0.048 1 764 179 74 ILE N N 121.160 0.000 1 765 180 75 HIS H H 8.159 0.005 1 766 180 75 HIS HA H 4.296 0.009 1 767 180 75 HIS HB2 H 3.273 0.011 2 768 180 75 HIS HB3 H 3.578 0.008 2 769 180 75 HIS HD1 H 6.692 0.014 1 770 180 75 HIS C C 176.309 0.000 1 771 180 75 HIS CA C 61.684 0.066 1 772 180 75 HIS CB C 29.366 0.037 1 773 180 75 HIS N N 123.662 0.020 1 774 181 76 ARG H H 8.069 0.006 1 775 181 76 ARG HA H 3.278 0.007 1 776 181 76 ARG HB2 H 1.759 0.017 2 777 181 76 ARG HB3 H 1.803 0.009 2 778 181 76 ARG HG2 H 1.287 0.005 2 779 181 76 ARG HG3 H 1.531 0.005 2 780 181 76 ARG HD2 H 3.108 0.014 2 781 181 76 ARG HD3 H 3.210 0.013 2 782 181 76 ARG C C 179.106 0.001 1 783 181 76 ARG CA C 61.203 0.036 1 784 181 76 ARG CB C 31.293 0.037 1 785 181 76 ARG CG C 29.902 0.029 1 786 181 76 ARG CD C 44.384 0.009 1 787 181 76 ARG N N 120.178 0.015 1 788 182 77 SER H H 7.932 0.002 1 789 182 77 SER HA H 4.251 0.011 1 790 182 77 SER HB2 H 3.999 0.005 1 791 182 77 SER C C 176.845 0.017 1 792 182 77 SER CA C 62.484 0.063 1 793 182 77 SER CB C 64.001 0.080 1 794 182 77 SER N N 114.683 0.025 1 795 183 78 LEU H H 8.018 0.005 1 796 183 78 LEU HA H 4.134 0.021 1 797 183 78 LEU HB2 H 2.242 0.016 2 798 183 78 LEU HB3 H 1.277 0.021 2 799 183 78 LEU HG H 1.821 0.016 1 800 183 78 LEU HD1 H 1.012 0.013 2 801 183 78 LEU HD2 H 0.935 0.013 2 802 183 78 LEU C C 178.157 0.028 1 803 183 78 LEU CA C 59.734 0.051 1 804 183 78 LEU CB C 44.324 0.071 1 805 183 78 LEU CG C 29.348 0.057 1 806 183 78 LEU CD1 C 27.766 0.007 1 807 183 78 LEU CD2 C 28.125 0.022 1 808 183 78 LEU N N 123.930 0.018 1 809 184 79 MET H H 7.595 0.005 1 810 184 79 MET HA H 4.062 0.015 1 811 184 79 MET HB2 H 2.050 0.013 1 812 184 79 MET HG2 H 2.427 0.010 2 813 184 79 MET HG3 H 2.673 0.010 2 814 184 79 MET C C 176.846 0.003 1 815 184 79 MET CA C 57.300 0.040 1 816 184 79 MET CB C 32.309 0.080 1 817 184 79 MET CG C 34.082 0.029 1 818 184 79 MET N N 115.741 0.009 1 819 185 80 VAL H H 7.394 0.006 1 820 185 80 VAL HA H 3.841 0.014 1 821 185 80 VAL HB H 2.036 0.011 1 822 185 80 VAL HG1 H 0.946 0.025 2 823 185 80 VAL HG2 H 0.913 0.039 2 824 185 80 VAL C C 178.329 0.023 1 825 185 80 VAL CA C 66.402 0.145 1 826 185 80 VAL CB C 33.923 0.147 1 827 185 80 VAL CG1 C 21.719 0.077 1 828 185 80 VAL CG2 C 23.617 0.016 1 829 185 80 VAL N N 116.853 0.022 1 830 186 81 ASP H H 8.087 0.006 1 831 186 81 ASP HA H 4.424 0.004 1 832 186 81 ASP HB2 H 2.224 0.009 2 833 186 81 ASP HB3 H 2.514 0.006 2 834 186 81 ASP C C 177.211 0.018 1 835 186 81 ASP CA C 57.537 0.024 1 836 186 81 ASP CB C 43.841 0.068 1 837 186 81 ASP N N 117.411 0.022 1 838 187 82 HIS H H 8.053 0.007 1 839 187 82 HIS HA H 5.043 0.011 1 840 187 82 HIS HB2 H 3.301 0.007 2 841 187 82 HIS HB3 H 2.791 0.008 2 842 187 82 HIS HD1 H 6.681 0.030 1 843 187 82 HIS HE1 H 7.818 0.004 1 844 187 82 HIS C C 176.373 0.044 1 845 187 82 HIS CA C 56.476 0.045 1 846 187 82 HIS CB C 31.746 0.094 1 847 187 82 HIS CD2 C 126.088 0.000 1 848 187 82 HIS CE1 C 139.886 0.000 1 849 187 82 HIS N N 117.650 0.041 1 850 188 83 VAL H H 7.223 0.004 1 851 188 83 VAL HA H 3.841 0.012 1 852 188 83 VAL HB H 2.521 0.012 1 853 188 83 VAL HG2 H 1.003 0.008 1 854 188 83 VAL C C 176.611 0.060 1 855 188 83 VAL CA C 67.293 0.096 1 856 188 83 VAL CB C 32.759 0.032 1 857 188 83 VAL CG1 C 24.313 0.023 1 858 188 83 VAL N N 120.582 0.016 1 859 189 84 THR H H 7.942 0.004 1 860 189 84 THR HA H 4.160 0.011 1 861 189 84 THR HB H 4.288 0.013 1 862 189 84 THR HG2 H 1.322 0.008 1 863 189 84 THR C C 176.737 0.056 1 864 189 84 THR CA C 66.508 0.026 1 865 189 84 THR CB C 69.823 0.094 1 866 189 84 THR CG2 C 23.786 0.135 1 867 189 84 THR N N 113.382 0.013 1 868 190 85 GLU H H 7.844 0.005 1 869 190 85 GLU HA H 4.505 0.009 1 870 190 85 GLU HB2 H 2.404 0.012 2 871 190 85 GLU HB3 H 2.182 0.011 2 872 190 85 GLU C C 178.280 0.043 1 873 190 85 GLU CA C 59.759 0.091 1 874 190 85 GLU CB C 33.698 0.056 1 875 190 85 GLU N N 119.757 0.039 1 876 191 86 VAL H H 7.251 0.005 1 877 191 86 VAL HA H 4.102 0.024 1 878 191 86 VAL HB H 1.181 0.014 1 879 191 86 VAL HG1 H 0.523 0.018 2 880 191 86 VAL HG2 H 0.916 0.012 2 881 191 86 VAL C C 177.623 0.003 1 882 191 86 VAL CA C 60.981 0.163 1 883 191 86 VAL CB C 33.643 0.082 1 884 191 86 VAL CG1 C 22.904 0.061 1 885 191 86 VAL CG2 C 20.018 0.146 1 886 191 86 VAL N N 130.934 0.008 1 887 192 87 SER H H 7.732 0.003 1 888 192 87 SER HA H 3.912 0.017 1 889 192 87 SER HB2 H 3.748 0.010 1 890 192 87 SER C C 176.209 0.035 1 891 192 87 SER CA C 64.177 0.000 1 892 192 87 SER N N 116.247 0.017 1 893 193 88 GLN H H 8.595 0.005 1 894 193 88 GLN HA H 4.218 0.008 1 895 193 88 GLN HB2 H 2.126 0.011 2 896 193 88 GLN HB3 H 2.245 0.010 2 897 193 88 GLN HG2 H 2.503 0.006 2 898 193 88 GLN HG3 H 2.413 0.014 2 899 193 88 GLN C C 176.668 0.019 1 900 193 88 GLN CA C 60.004 0.028 1 901 193 88 GLN CB C 30.771 0.035 1 902 193 88 GLN CG C 35.741 0.018 1 903 193 88 GLN N N 118.123 0.024 1 904 194 89 TRP H H 6.891 0.011 1 905 194 89 TRP HA H 5.083 0.007 1 906 194 89 TRP HB2 H 3.160 0.012 2 907 194 89 TRP HB3 H 3.560 0.013 2 908 194 89 TRP HD1 H 7.020 0.019 1 909 194 89 TRP HE1 H 10.141 0.003 1 910 194 89 TRP HE3 H 7.089 0.015 1 911 194 89 TRP HZ2 H 7.371 0.028 1 912 194 89 TRP HZ3 H 7.262 0.015 1 913 194 89 TRP HH2 H 7.077 0.003 1 914 194 89 TRP C C 179.192 0.010 1 915 194 89 TRP CA C 56.589 0.030 1 916 194 89 TRP CB C 33.542 0.026 1 917 194 89 TRP CD1 C 130.580 0.000 1 918 194 89 TRP CE3 C 121.460 0.000 1 919 194 89 TRP CZ2 C 116.760 0.000 1 920 194 89 TRP CZ3 C 120.885 0.059 1 921 194 89 TRP CH2 C 126.100 0.000 1 922 194 89 TRP N N 111.239 0.024 1 923 194 89 TRP NE1 N 131.078 0.049 1 924 195 90 MET H H 8.255 0.004 1 925 195 90 MET HA H 4.435 0.011 1 926 195 90 MET HB2 H 1.847 0.018 1 927 195 90 MET HE H 2.015 0.001 1 928 195 90 MET C C 177.344 0.095 1 929 195 90 MET CA C 59.666 0.076 1 930 195 90 MET CB C 31.535 0.048 1 931 195 90 MET CE C 17.798 0.008 1 932 195 90 MET N N 125.135 0.012 1 933 196 91 VAL H H 8.116 0.007 1 934 196 91 VAL HA H 3.845 0.008 1 935 196 91 VAL HB H 2.044 0.008 1 936 196 91 VAL HG1 H 0.919 0.014 2 937 196 91 VAL HG2 H 1.026 0.015 2 938 196 91 VAL C C 177.994 0.193 1 939 196 91 VAL CA C 66.868 0.078 1 940 196 91 VAL CB C 33.021 0.047 1 941 196 91 VAL CG1 C 22.965 0.028 1 942 196 91 VAL CG2 C 25.029 0.013 1 943 196 91 VAL N N 117.564 0.015 1 944 197 92 GLY H H 7.731 0.004 1 945 197 92 GLY HA2 H 4.127 0.024 2 946 197 92 GLY HA3 H 3.518 0.009 2 947 197 92 GLY C C 173.921 0.014 1 948 197 92 GLY CA C 48.221 0.074 1 949 197 92 GLY N N 105.757 0.016 1 950 198 93 VAL H H 7.215 0.010 1 951 198 93 VAL HA H 3.575 0.006 1 952 198 93 VAL HB H 2.758 0.013 1 953 198 93 VAL HG1 H 1.014 0.005 2 954 198 93 VAL HG2 H 1.242 0.007 2 955 198 93 VAL C C 176.638 0.000 1 956 198 93 VAL CA C 67.989 0.058 1 957 198 93 VAL CB C 33.056 0.027 1 958 198 93 VAL CG1 C 24.052 0.007 1 959 198 93 VAL CG2 C 23.726 0.004 1 960 198 93 VAL N N 122.081 0.018 1 961 199 94 LYS H H 8.372 0.006 1 962 199 94 LYS HA H 3.401 0.008 1 963 199 94 LYS HB2 H 1.648 0.014 2 964 199 94 LYS HB3 H 1.174 0.016 2 965 199 94 LYS HG2 H 1.392 0.012 1 966 199 94 LYS HD3 H 1.109 0.009 1 967 199 94 LYS HE2 H 2.979 0.021 1 968 199 94 LYS C C 178.762 0.034 1 969 199 94 LYS CA C 61.034 0.047 1 970 199 94 LYS CB C 33.437 0.044 1 971 199 94 LYS CG C 26.048 0.120 1 972 199 94 LYS CE C 43.306 0.030 1 973 199 94 LYS N N 119.054 0.006 1 974 200 95 ARG H H 7.690 0.006 1 975 200 95 ARG HA H 4.189 0.013 1 976 200 95 ARG HB2 H 1.989 0.013 2 977 200 95 ARG HB3 H 1.659 0.005 2 978 200 95 ARG HG2 H 1.011 0.000 1 979 200 95 ARG HD2 H 3.299 0.020 1 980 200 95 ARG C C 177.288 0.000 1 981 200 95 ARG CA C 58.651 0.003 1 982 200 95 ARG CB C 31.182 0.047 1 983 200 95 ARG CD C 45.164 0.000 1 984 200 95 ARG N N 117.982 0.018 1 985 201 96 LEU H H 8.033 0.004 1 986 201 96 LEU HA H 3.970 0.008 1 987 201 96 LEU HB2 H 2.012 0.013 2 988 201 96 LEU HB3 H 1.771 0.022 2 989 201 96 LEU HG H 1.587 0.006 1 990 201 96 LEU HD1 H 1.001 0.006 2 991 201 96 LEU HD2 H 0.947 0.005 2 992 201 96 LEU C C 177.943 0.066 1 993 201 96 LEU CA C 59.517 0.023 1 994 201 96 LEU CB C 43.866 0.052 1 995 201 96 LEU CD1 C 24.648 0.000 1 996 201 96 LEU CD2 C 24.930 0.000 1 997 201 96 LEU N N 120.496 0.019 1 998 202 97 ILE H H 8.032 0.006 1 999 202 97 ILE HA H 3.381 0.015 1 1000 202 97 ILE HB H 1.880 0.022 1 1001 202 97 ILE HG2 H 1.066 0.016 1 1002 202 97 ILE HD1 H 0.913 0.017 1 1003 202 97 ILE C C 176.655 0.000 1 1004 202 97 ILE CA C 67.813 0.085 1 1005 202 97 ILE CB C 40.107 0.074 1 1006 202 97 ILE CG2 C 19.349 0.033 1 1007 202 97 ILE CD1 C 14.045 0.019 1 1008 202 97 ILE N N 117.561 0.055 1 1009 203 98 ALA H H 7.226 0.010 1 1010 203 98 ALA HA H 3.876 0.016 1 1011 203 98 ALA HB H 1.497 0.009 1 1012 203 98 ALA C C 181.084 0.005 1 1013 203 98 ALA CA C 56.508 0.116 1 1014 203 98 ALA CB C 19.706 0.073 1 1015 203 98 ALA N N 119.489 0.034 1 1016 204 99 GLU H H 8.791 0.006 1 1017 204 99 GLU HA H 3.971 0.015 1 1018 204 99 GLU HB2 H 2.262 0.038 2 1019 204 99 GLU HB3 H 1.993 0.016 2 1020 204 99 GLU HG2 H 2.092 0.004 2 1021 204 99 GLU HG3 H 2.149 0.003 2 1022 204 99 GLU C C 179.562 0.033 1 1023 204 99 GLU CA C 59.757 0.003 1 1024 204 99 GLU CB C 31.102 0.031 1 1025 204 99 GLU CG C 38.163 0.034 1 1026 204 99 GLU N N 118.609 0.019 1 1027 205 100 LYS H H 8.476 0.006 1 1028 205 100 LYS HA H 3.808 0.006 1 1029 205 100 LYS HB2 H 1.694 0.018 2 1030 205 100 LYS HB3 H 1.366 0.013 2 1031 205 100 LYS HG2 H 1.298 0.005 1 1032 205 100 LYS HE2 H 3.034 0.038 1 1033 205 100 LYS C C 178.200 0.017 1 1034 205 100 LYS CA C 59.495 0.050 1 1035 205 100 LYS CB C 31.510 0.053 1 1036 205 100 LYS CG C 27.351 0.043 1 1037 205 100 LYS CE C 45.303 0.000 1 1038 205 100 LYS N N 121.131 0.007 1 1039 206 101 ARG H H 7.856 0.005 1 1040 206 101 ARG HA H 2.347 0.005 1 1041 206 101 ARG HB2 H 1.301 0.006 2 1042 206 101 ARG HB3 H 1.093 0.011 2 1043 206 101 ARG HG2 H 0.917 0.006 1 1044 206 101 ARG HD2 H 2.908 0.011 2 1045 206 101 ARG HD3 H 3.139 0.017 2 1046 206 101 ARG C C 178.458 0.017 1 1047 206 101 ARG CA C 60.100 0.016 1 1048 206 101 ARG CB C 31.317 0.042 1 1049 206 101 ARG CG C 27.720 0.006 1 1050 206 101 ARG CD C 45.656 0.032 1 1051 206 101 ARG N N 119.385 0.060 1 1052 207 102 SER H H 7.454 0.008 1 1053 207 102 SER HA H 4.142 0.005 1 1054 207 102 SER HB2 H 3.944 0.010 1 1055 207 102 SER C C 176.074 0.042 1 1056 207 102 SER CA C 62.047 0.061 1 1057 207 102 SER CB C 64.679 0.024 1 1058 207 102 SER N N 113.946 0.014 1 1059 208 103 LEU H H 7.551 0.009 1 1060 208 103 LEU HA H 3.798 0.011 1 1061 208 103 LEU HB2 H 1.352 0.004 2 1062 208 103 LEU HB3 H 1.444 0.020 2 1063 208 103 LEU HD1 H 0.639 0.015 2 1064 208 103 LEU HD2 H 0.587 0.015 2 1065 208 103 LEU C C 177.749 0.050 1 1066 208 103 LEU CA C 58.072 0.068 1 1067 208 103 LEU CB C 43.456 0.034 1 1068 208 103 LEU CD1 C 25.975 0.051 1 1069 208 103 LEU CD2 C 25.615 0.025 1 1070 208 103 LEU N N 122.148 0.021 1 1071 209 104 PHE H H 7.777 0.004 1 1072 209 104 PHE HA H 4.463 0.014 1 1073 209 104 PHE HB2 H 3.067 0.019 2 1074 209 104 PHE HB3 H 3.333 0.014 2 1075 209 104 PHE HD1 H 7.389 0.021 3 1076 209 104 PHE HD2 H 7.389 0.021 3 1077 209 104 PHE HE1 H 7.339 0.002 3 1078 209 104 PHE HE2 H 7.339 0.002 3 1079 209 104 PHE C C 176.401 0.012 1 1080 209 104 PHE CA C 60.448 0.094 1 1081 209 104 PHE CB C 41.175 0.089 1 1082 209 104 PHE CD1 C 131.522 0.000 3 1083 209 104 PHE CD2 C 131.522 0.000 3 1084 209 104 PHE CE1 C 133.179 0.000 3 1085 209 104 PHE CE2 C 133.179 0.000 3 1086 209 104 PHE N N 118.533 0.035 1 1087 210 105 SER H H 7.880 0.006 1 1088 210 105 SER HA H 4.416 0.009 1 1089 210 105 SER HB2 H 3.952 0.015 1 1090 210 105 SER C C 175.089 0.010 1 1091 210 105 SER CA C 60.629 0.080 1 1092 210 105 SER CB C 65.265 0.078 1 1093 210 105 SER N N 115.725 0.011 1 1094 211 106 GLU H H 8.313 0.006 1 1095 211 106 GLU HA H 4.246 0.010 1 1096 211 106 GLU HB2 H 2.079 0.016 2 1097 211 106 GLU HB3 H 2.002 0.009 2 1098 211 106 GLU HG2 H 2.306 0.011 2 1099 211 106 GLU HG3 H 2.245 0.007 2 1100 211 106 GLU C C 177.126 0.000 1 1101 211 106 GLU CA C 58.603 0.092 1 1102 211 106 GLU CB C 31.587 0.028 1 1103 211 106 GLU CG C 37.971 0.003 1 1104 211 106 GLU N N 122.913 0.055 1 1105 212 107 GLU H H 8.255 0.005 1 1106 212 107 GLU HA H 4.237 0.022 1 1107 212 107 GLU HB2 H 1.987 0.013 2 1108 212 107 GLU HB3 H 1.856 0.027 2 1109 212 107 GLU HG2 H 2.255 0.018 1 1110 212 107 GLU C C 177.072 0.034 1 1111 212 107 GLU CA C 58.682 0.058 1 1112 212 107 GLU CB C 31.542 0.083 1 1113 212 107 GLU CG C 35.304 0.070 1 1114 212 107 GLU N N 120.869 0.015 1 1115 213 108 ALA H H 8.179 0.004 1 1116 213 108 ALA HA H 4.226 0.015 1 1117 213 108 ALA HB H 1.362 0.008 1 1118 213 108 ALA C C 178.127 0.033 1 1119 213 108 ALA CA C 54.430 0.126 1 1120 213 108 ALA CB C 20.229 0.101 1 1121 213 108 ALA N N 124.270 0.029 1 1122 214 109 ALA H H 8.111 0.006 1 1123 214 109 ALA HA H 4.312 0.028 1 1124 214 109 ALA HB H 1.410 0.010 1 1125 214 109 ALA C C 178.006 0.075 1 1126 214 109 ALA CA C 54.214 0.073 1 1127 214 109 ALA CB C 20.391 0.067 1 1128 214 109 ALA N N 122.462 0.012 1 1129 215 110 ASN H H 8.249 0.004 1 1130 215 110 ASN HA H 4.660 0.011 1 1131 215 110 ASN HB2 H 2.795 0.013 2 1132 215 110 ASN HB3 H 2.840 0.010 2 1133 215 110 ASN C C 175.710 0.040 1 1134 215 110 ASN CA C 54.819 0.078 1 1135 215 110 ASN CB C 40.395 0.083 1 1136 215 110 ASN N N 117.716 0.009 1 1137 216 111 GLU H H 8.306 0.006 1 1138 216 111 GLU HA H 4.244 0.003 1 1139 216 111 GLU HB2 H 2.021 0.016 1 1140 216 111 GLU HG2 H 2.247 0.007 2 1141 216 111 GLU HG3 H 2.278 0.003 2 1142 216 111 GLU C C 176.856 0.069 1 1143 216 111 GLU CA C 58.160 0.050 1 1144 216 111 GLU CB C 31.800 0.013 1 1145 216 111 GLU CG C 38.228 0.000 1 1146 216 111 GLU N N 121.563 0.016 1 1147 217 112 GLU H H 8.368 0.005 1 1148 217 112 GLU HA H 4.233 0.004 1 1149 217 112 GLU HB2 H 2.002 0.003 1 1150 217 112 GLU C C 177.015 0.046 1 1151 217 112 GLU CA C 58.421 0.079 1 1152 217 112 GLU CB C 31.490 0.137 1 1153 217 112 GLU N N 121.915 0.014 1 1154 218 113 LYS H H 8.280 0.005 1 1155 218 113 LYS HA H 4.330 0.016 1 1156 218 113 LYS HB2 H 1.876 0.004 2 1157 218 113 LYS HB3 H 1.800 0.003 2 1158 218 113 LYS HG2 H 1.482 0.021 2 1159 218 113 LYS HG3 H 1.444 0.018 2 1160 218 113 LYS HD2 H 1.714 0.052 1 1161 218 113 LYS HE2 H 2.960 0.027 1 1162 218 113 LYS C C 177.018 0.004 1 1163 218 113 LYS CA C 57.988 0.064 1 1164 218 113 LYS CB C 34.350 0.039 1 1165 218 113 LYS CG C 26.214 0.016 1 1166 218 113 LYS CD C 30.380 0.000 1 1167 218 113 LYS CE C 43.393 0.012 1 1168 218 113 LYS N N 122.104 0.042 1 1169 219 114 SER H H 8.283 0.005 1 1170 219 114 SER HA H 4.406 0.014 1 1171 219 114 SER HB2 H 4.046 0.010 1 1172 219 114 SER C C 174.738 0.045 1 1173 219 114 SER CA C 60.021 0.062 1 1174 219 114 SER CB C 65.267 0.065 1 1175 219 114 SER N N 116.631 0.038 1 1176 220 115 ALA H H 8.302 0.005 1 1177 220 115 ALA HA H 4.324 0.032 1 1178 220 115 ALA HB H 1.410 0.015 1 1179 220 115 ALA C C 177.791 0.073 1 1180 220 115 ALA CA C 54.145 0.071 1 1181 220 115 ALA CB C 20.591 0.105 1 1182 220 115 ALA N N 125.911 0.045 1 1183 221 116 ALA H H 8.210 0.005 1 1184 221 116 ALA HA H 4.309 0.032 1 1185 221 116 ALA HB H 1.406 0.011 1 1186 221 116 ALA C C 178.245 0.060 1 1187 221 116 ALA CA C 54.262 0.198 1 1188 221 116 ALA CB C 20.620 0.106 1 1189 221 116 ALA N N 122.782 0.029 1 1190 222 117 THR H H 7.998 0.015 1 1191 222 117 THR HA H 3.899 0.000 1 1192 222 117 THR HB H 4.102 0.021 1 1193 222 117 THR HG2 H 1.099 0.002 1 1194 222 117 THR C C 174.483 0.002 1 1195 222 117 THR CA C 63.151 0.075 1 1196 222 117 THR CB C 71.228 0.093 1 1197 222 117 THR N N 112.645 0.087 1 1198 223 118 ALA H H 8.181 0.012 1 1199 223 118 ALA HA H 3.891 0.000 1 1200 223 118 ALA HB H 1.384 0.015 1 1201 223 118 ALA C C 177.895 0.061 1 1202 223 118 ALA CA C 53.927 0.032 1 1203 223 118 ALA CB C 20.693 0.095 1 1204 223 118 ALA N N 125.917 0.000 1 1205 224 119 GLU H H 8.310 0.014 1 1206 224 119 GLU HA H 4.251 0.013 1 1207 224 119 GLU HB2 H 1.978 0.001 1 1208 224 119 GLU C C 176.798 0.031 1 1209 224 119 GLU CA C 57.788 0.098 1 1210 224 119 GLU CB C 31.642 0.154 1 1211 224 119 GLU N N 119.990 0.023 1 1212 225 120 LYS H H 8.305 0.008 1 1213 225 120 LYS HA H 4.335 0.005 1 1214 225 120 LYS HB2 H 1.694 0.012 2 1215 225 120 LYS HB3 H 2.185 0.002 2 1216 225 120 LYS HG2 H 1.490 0.018 1 1217 225 120 LYS HD2 H 1.983 0.000 1 1218 225 120 LYS HE2 H 3.032 0.014 1 1219 225 120 LYS C C 175.295 0.000 1 1220 225 120 LYS CA C 57.750 0.069 1 1221 225 120 LYS CB C 34.542 0.044 1 1222 225 120 LYS CG C 26.824 0.014 1 1223 225 120 LYS CE C 43.789 0.006 1 1224 225 120 LYS N N 122.724 0.017 1 1225 226 121 ASN H H 8.062 0.003 1 1226 226 121 ASN HA H 4.344 0.008 1 1227 226 121 ASN HB2 H 2.681 0.013 2 1228 226 121 ASN HB3 H 2.387 0.014 2 1229 226 121 ASN C C 179.528 0.000 1 1230 226 121 ASN CA C 55.994 0.013 1 1231 226 121 ASN CB C 41.905 0.016 1 1232 226 121 ASN N N 125.816 0.017 1 1233 228 123 THR HA H 4.276 0.013 1 1234 228 123 THR HB H 4.264 0.000 1 1235 228 123 THR C C 174.370 0.149 1 1236 228 123 THR CA C 63.277 0.029 1 1237 228 123 THR CB C 71.182 0.142 1 1238 228 123 THR CG2 C 23.341 0.000 1 1239 229 124 ILE H H 8.511 0.005 1 1240 229 124 ILE HA H 4.452 0.004 1 1241 229 124 ILE HB H 1.853 0.012 1 1242 229 124 ILE HG12 H 1.482 0.017 2 1243 229 124 ILE HG13 H 1.146 0.003 2 1244 229 124 ILE HG2 H 0.930 0.008 1 1245 229 124 ILE HD1 H 0.832 0.007 1 1246 229 124 ILE C C 178.025 0.000 1 1247 229 124 ILE CA C 60.050 0.008 1 1248 229 124 ILE CB C 40.141 0.054 1 1249 229 124 ILE CG1 C 28.405 0.070 1 1250 229 124 ILE CG2 C 18.915 0.000 1 1251 229 124 ILE CD1 C 15.671 0.000 1 1252 229 124 ILE N N 126.027 0.009 1 1253 230 125 PRO HA H 4.374 0.008 1 1254 230 125 PRO HB2 H 1.871 0.009 2 1255 230 125 PRO HB3 H 2.275 0.007 2 1256 230 125 PRO HG2 H 1.986 0.017 2 1257 230 125 PRO HG3 H 2.052 0.011 2 1258 230 125 PRO HD2 H 3.926 0.007 2 1259 230 125 PRO HD3 H 3.699 0.009 2 1260 230 125 PRO C C 177.348 0.061 1 1261 230 125 PRO CA C 65.121 0.058 1 1262 230 125 PRO CB C 33.446 0.038 1 1263 230 125 PRO CG C 28.861 0.008 1 1264 230 125 PRO CD C 52.526 0.017 1 1265 231 126 GLY H H 8.449 0.006 1 1266 231 126 GLY HA2 H 4.323 0.002 2 1267 231 126 GLY HA3 H 3.872 0.027 2 1268 231 126 GLY C C 174.036 0.044 1 1269 231 126 GLY CA C 46.704 0.059 1 1270 231 126 GLY N N 109.510 0.000 1 1271 232 127 PHE H H 8.027 0.006 1 1272 232 127 PHE HA H 4.549 0.026 1 1273 232 127 PHE HB2 H 3.070 0.019 1 1274 232 127 PHE HD1 H 7.288 0.001 3 1275 232 127 PHE HD2 H 7.288 0.001 3 1276 232 127 PHE HE1 H 7.369 0.002 3 1277 232 127 PHE HE2 H 7.369 0.002 3 1278 232 127 PHE C C 175.554 0.004 1 1279 232 127 PHE CA C 59.382 0.131 1 1280 232 127 PHE CB C 41.332 0.172 1 1281 232 127 PHE CD1 C 133.490 0.000 3 1282 232 127 PHE CD2 C 133.490 0.000 3 1283 232 127 PHE CE1 C 131.946 0.000 3 1284 232 127 PHE CE2 C 131.946 0.000 3 1285 232 127 PHE N N 120.159 0.013 1 1286 233 128 GLN H H 8.244 0.004 1 1287 233 128 GLN C C 175.121 0.041 1 1288 233 128 GLN CA C 56.979 0.077 1 1289 233 128 GLN CB C 31.049 0.070 1 1290 233 128 GLN N N 122.826 0.045 1 1291 234 129 GLN H H 8.302 0.004 1 1292 234 129 GLN HA H 4.241 0.005 1 1293 234 129 GLN HB2 H 2.018 0.000 1 1294 234 129 GLN C C 175.406 0.009 1 1295 234 129 GLN CA C 57.204 0.000 1 1296 234 129 GLN CB C 31.589 0.000 1 1297 234 129 GLN N N 122.191 0.000 1 1298 235 130 ALA H H 8.419 0.004 1 1299 235 130 ALA HA H 4.369 0.021 1 1300 235 130 ALA HB H 1.408 0.012 1 1301 235 130 ALA C C 176.730 0.048 1 1302 235 130 ALA CA C 53.867 0.062 1 1303 235 130 ALA CB C 20.976 0.043 1 1304 235 130 ALA N N 126.651 0.001 1 1305 236 131 SER H H 7.955 0.003 1 1306 236 131 SER HA H 4.245 0.002 1 1307 236 131 SER HB2 H 4.383 0.012 1 1308 236 131 SER C C 178.674 0.000 1 1309 236 131 SER CA C 61.272 0.031 1 1310 236 131 SER CB C 66.424 0.129 1 1311 236 131 SER N N 121.189 0.059 1 stop_ save_