data_30161 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of response regulator protein from Burkholderia multivorans ; _BMRB_accession_number 30161 _BMRB_flat_file_name bmr30161.str _Entry_type original _Submission_date 2016-08-26 _Accession_date 2016-08-26 _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 Yang F. . . 2 Lim Y.-B. . . 3 Barnwal R. . . 4 Varani G. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 552 "13C chemical shifts" 468 "15N chemical shifts" 111 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-09-09 original BMRB . stop_ _Original_release_date 2016-09-09 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of response regulator protein from Burkholderia multivorans ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yang F. . . 2 Lim Y.-B. . . 3 Barnwal R. . . 4 Varani G. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Two-component system response regulator' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 13024.712 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 125 _Mol_residue_sequence ; MIRTILAIDDSATMRALLHA TLAQAGYEVTVAADGEAGFD LAATTAYDLVLTDQNMPRKS GLELIAALRQLSAYADTPIL VLTTEGSDAFKAAARDAGAT GWIEKPIDPGVLVELVATLS EPAAN ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ILE 3 ARG 4 THR 5 ILE 6 LEU 7 ALA 8 ILE 9 ASP 10 ASP 11 SER 12 ALA 13 THR 14 MET 15 ARG 16 ALA 17 LEU 18 LEU 19 HIS 20 ALA 21 THR 22 LEU 23 ALA 24 GLN 25 ALA 26 GLY 27 TYR 28 GLU 29 VAL 30 THR 31 VAL 32 ALA 33 ALA 34 ASP 35 GLY 36 GLU 37 ALA 38 GLY 39 PHE 40 ASP 41 LEU 42 ALA 43 ALA 44 THR 45 THR 46 ALA 47 TYR 48 ASP 49 LEU 50 VAL 51 LEU 52 THR 53 ASP 54 GLN 55 ASN 56 MET 57 PRO 58 ARG 59 LYS 60 SER 61 GLY 62 LEU 63 GLU 64 LEU 65 ILE 66 ALA 67 ALA 68 LEU 69 ARG 70 GLN 71 LEU 72 SER 73 ALA 74 TYR 75 ALA 76 ASP 77 THR 78 PRO 79 ILE 80 LEU 81 VAL 82 LEU 83 THR 84 THR 85 GLU 86 GLY 87 SER 88 ASP 89 ALA 90 PHE 91 LYS 92 ALA 93 ALA 94 ALA 95 ARG 96 ASP 97 ALA 98 GLY 99 ALA 100 THR 101 GLY 102 TRP 103 ILE 104 GLU 105 LYS 106 PRO 107 ILE 108 ASP 109 PRO 110 GLY 111 VAL 112 LEU 113 VAL 114 GLU 115 LEU 116 VAL 117 ALA 118 THR 119 LEU 120 SER 121 GLU 122 PRO 123 ALA 124 ALA 125 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 $entity_1 'Burkholderia multivorans' 87883 Bacteria . Burkholderia multivorans WK80_10940 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 $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.9 mM [U-13C; U-15N] response regulator protein, 25 mM HEPES, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling HEPES 25 mM 'natural abundance' $entity_1 0.9 mM '[U-13C; U-15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.9 mM [U-13C; U-15N] response regulator protein, 25 mM HEPES, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling HEPES 25 mM 'natural abundance' $entity_1 0.9 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_4 _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 6.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_2 stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HBHA(CO)NH' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.401 0.000 . 2 1 1 MET HB2 H 1.935 0.000 . 3 1 1 MET C C 175.986 0.000 . 4 1 1 MET CA C 55.600 0.020 . 5 1 1 MET CB C 33.138 0.042 . 6 1 1 MET N N 121.816 0.006 . 7 2 2 ILE H H 8.107 0.001 . 8 2 2 ILE HA H 3.830 0.002 . 9 2 2 ILE HB H 1.716 0.001 . 10 2 2 ILE HG12 H 0.991 0.004 . 11 2 2 ILE HG13 H 1.451 0.001 . 12 2 2 ILE HG2 H 0.484 0.001 . 13 2 2 ILE HD1 H 0.688 0.002 . 14 2 2 ILE C C 174.316 0.000 . 15 2 2 ILE CA C 61.588 0.026 . 16 2 2 ILE CB C 38.193 0.041 . 17 2 2 ILE CG1 C 27.996 0.035 . 18 2 2 ILE CG2 C 17.505 0.033 . 19 2 2 ILE CD1 C 13.455 0.028 . 20 2 2 ILE N N 123.431 0.005 . 21 3 3 ARG H H 9.806 0.001 . 22 3 3 ARG HA H 4.716 0.001 . 23 3 3 ARG HB2 H 1.834 0.000 . 24 3 3 ARG HB3 H 1.935 0.001 . 25 3 3 ARG HG2 H 1.526 0.001 . 26 3 3 ARG HG3 H 1.599 0.001 . 27 3 3 ARG HD2 H 3.168 0.003 . 28 3 3 ARG C C 176.156 0.000 . 29 3 3 ARG CA C 57.343 0.025 . 30 3 3 ARG CB C 32.755 0.022 . 31 3 3 ARG CG C 27.209 0.017 . 32 3 3 ARG CD C 42.845 0.005 . 33 3 3 ARG N N 127.627 0.006 . 34 4 4 THR H H 8.631 0.002 . 35 4 4 THR HA H 5.291 0.003 . 36 4 4 THR HB H 4.356 0.002 . 37 4 4 THR HG2 H 1.166 0.001 . 38 4 4 THR C C 173.925 0.000 . 39 4 4 THR CA C 58.964 0.045 . 40 4 4 THR CB C 71.096 0.025 . 41 4 4 THR CG2 C 22.408 0.063 . 42 4 4 THR N N 110.835 0.012 . 43 5 5 ILE H H 8.368 0.001 . 44 5 5 ILE HA H 4.875 0.000 . 45 5 5 ILE HB H 1.295 0.005 . 46 5 5 ILE HG12 H 0.664 0.003 . 47 5 5 ILE HG13 H 1.238 0.001 . 48 5 5 ILE HG2 H 0.403 0.002 . 49 5 5 ILE HD1 H 0.050 0.001 . 50 5 5 ILE C C 173.317 0.000 . 51 5 5 ILE CA C 59.542 0.064 . 52 5 5 ILE CB C 43.057 0.034 . 53 5 5 ILE CG1 C 26.877 0.008 . 54 5 5 ILE CG2 C 15.855 0.025 . 55 5 5 ILE CD1 C 15.435 0.004 . 56 5 5 ILE N N 120.009 0.143 . 57 6 6 LEU H H 8.124 0.002 . 58 6 6 LEU HA H 4.711 0.001 . 59 6 6 LEU HB2 H -0.384 0.000 . 60 6 6 LEU HB3 H 1.142 0.003 . 61 6 6 LEU HG H 0.916 0.004 . 62 6 6 LEU HD1 H 0.527 0.001 . 63 6 6 LEU HD2 H 0.284 0.001 . 64 6 6 LEU C C 173.617 0.000 . 65 6 6 LEU CA C 52.471 0.010 . 66 6 6 LEU CB C 42.427 0.015 . 67 6 6 LEU CG C 27.071 0.008 . 68 6 6 LEU CD1 C 26.318 0.047 . 69 6 6 LEU CD2 C 22.648 0.014 . 70 6 6 LEU N N 129.467 0.036 . 71 7 7 ALA H H 8.908 0.002 . 72 7 7 ALA HA H 5.304 0.001 . 73 7 7 ALA HB H 0.938 0.000 . 74 7 7 ALA C C 174.572 0.000 . 75 7 7 ALA CA C 49.386 0.037 . 76 7 7 ALA CB C 21.050 0.008 . 77 7 7 ALA N N 129.481 0.039 . 78 8 8 ILE H H 8.470 0.001 . 79 8 8 ILE HA H 4.581 0.000 . 80 8 8 ILE HB H 1.746 0.001 . 81 8 8 ILE HG12 H 0.565 0.003 . 82 8 8 ILE HG13 H 1.285 0.001 . 83 8 8 ILE HG2 H 0.445 0.000 . 84 8 8 ILE HD1 H 0.569 0.002 . 85 8 8 ILE C C 174.675 0.000 . 86 8 8 ILE CA C 59.621 0.013 . 87 8 8 ILE CB C 39.745 0.054 . 88 8 8 ILE CG1 C 27.771 0.018 . 89 8 8 ILE CG2 C 18.739 0.002 . 90 8 8 ILE CD1 C 15.307 0.012 . 91 8 8 ILE N N 122.634 0.013 . 92 9 9 ASP H H 7.959 0.014 . 93 9 9 ASP HA H 4.485 0.002 . 94 9 9 ASP HB2 H 2.182 0.000 . 95 9 9 ASP C C 174.564 0.000 . 96 9 9 ASP CA C 54.303 0.027 . 97 9 9 ASP CB C 44.635 0.017 . 98 9 9 ASP N N 123.763 0.015 . 99 10 10 ASP H H 8.826 0.003 . 100 10 10 ASP HA H 4.552 0.001 . 101 10 10 ASP HB2 H 2.450 0.002 . 102 10 10 ASP HB3 H 2.728 0.001 . 103 10 10 ASP C C 176.384 0.000 . 104 10 10 ASP CA C 55.908 0.014 . 105 10 10 ASP CB C 42.204 0.023 . 106 10 10 ASP N N 127.145 0.010 . 107 11 11 SER H H 8.979 0.011 . 108 11 11 SER HA H 4.613 0.000 . 109 11 11 SER HB2 H 3.735 0.000 . 110 11 11 SER HB3 H 3.902 0.001 . 111 11 11 SER C C 176.128 0.000 . 112 11 11 SER CA C 55.871 0.014 . 113 11 11 SER CB C 62.567 0.031 . 114 11 11 SER N N 115.447 0.020 . 115 12 12 ALA H H 9.238 0.001 . 116 12 12 ALA HA H 3.755 0.001 . 117 12 12 ALA HB H 1.410 0.001 . 118 12 12 ALA C C 180.974 0.000 . 119 12 12 ALA CA C 55.568 0.084 . 120 12 12 ALA CB C 18.260 0.003 . 121 12 12 ALA N N 134.535 0.012 . 122 13 13 THR H H 8.016 0.019 . 123 13 13 THR HA H 3.897 0.002 . 124 13 13 THR HB H 3.905 0.001 . 125 13 13 THR HG2 H 1.143 0.000 . 126 13 13 THR C C 177.516 0.000 . 127 13 13 THR CA C 65.463 0.017 . 128 13 13 THR CB C 68.292 0.054 . 129 13 13 THR CG2 C 22.036 0.004 . 130 13 13 THR N N 113.816 0.135 . 131 14 14 MET H H 7.610 0.001 . 132 14 14 MET HA H 4.391 0.000 . 133 14 14 MET HB2 H 1.841 0.000 . 134 14 14 MET HB3 H 2.037 0.000 . 135 14 14 MET C C 178.831 0.000 . 136 14 14 MET CA C 56.144 0.002 . 137 14 14 MET CB C 30.997 0.066 . 138 14 14 MET N N 122.903 0.043 . 139 15 15 ARG H H 8.529 0.002 . 140 15 15 ARG HA H 3.574 0.000 . 141 15 15 ARG HB2 H 1.504 0.001 . 142 15 15 ARG HB3 H 1.959 0.001 . 143 15 15 ARG HG2 H 0.915 0.006 . 144 15 15 ARG HD2 H 3.570 0.001 . 145 15 15 ARG C C 178.001 0.000 . 146 15 15 ARG CA C 62.025 0.042 . 147 15 15 ARG CB C 30.249 0.061 . 148 15 15 ARG CG C 30.067 0.055 . 149 15 15 ARG CD C 43.597 0.030 . 150 15 15 ARG N N 118.946 0.013 . 151 16 16 ALA H H 7.592 0.006 . 152 16 16 ALA HA H 4.117 0.000 . 153 16 16 ALA HB H 1.411 0.000 . 154 16 16 ALA C C 180.295 0.000 . 155 16 16 ALA CA C 54.972 0.047 . 156 16 16 ALA CB C 17.812 0.010 . 157 16 16 ALA N N 119.009 0.042 . 158 17 17 LEU H H 7.788 0.003 . 159 17 17 LEU HA H 4.189 0.001 . 160 17 17 LEU HB2 H 1.687 0.000 . 161 17 17 LEU HB3 H 1.835 0.003 . 162 17 17 LEU HD1 H 0.820 0.003 . 163 17 17 LEU HD2 H 0.785 0.003 . 164 17 17 LEU C C 180.895 0.000 . 165 17 17 LEU CA C 58.160 0.063 . 166 17 17 LEU CB C 42.154 0.052 . 167 17 17 LEU CG C 27.409 0.000 . 168 17 17 LEU CD1 C 23.947 0.074 . 169 17 17 LEU CD2 C 25.177 0.050 . 170 17 17 LEU N N 121.380 0.097 . 171 18 18 LEU H H 8.937 0.001 . 172 18 18 LEU HA H 3.596 0.001 . 173 18 18 LEU HB2 H 1.764 0.001 . 174 18 18 LEU HB3 H 0.814 0.000 . 175 18 18 LEU HG H 1.757 0.000 . 176 18 18 LEU HD1 H 0.527 0.000 . 177 18 18 LEU HD2 H 0.525 0.000 . 178 18 18 LEU C C 178.052 0.000 . 179 18 18 LEU CA C 58.307 0.045 . 180 18 18 LEU CB C 41.818 0.005 . 181 18 18 LEU CG C 26.709 0.017 . 182 18 18 LEU CD1 C 22.785 0.094 . 183 18 18 LEU CD2 C 25.550 0.027 . 184 18 18 LEU N N 121.989 0.008 . 185 19 19 HIS H H 8.198 0.001 . 186 19 19 HIS HA H 3.782 0.000 . 187 19 19 HIS HB2 H 3.010 0.001 . 188 19 19 HIS HB3 H 3.134 0.000 . 189 19 19 HIS HD2 H 6.847 0.000 . 190 19 19 HIS HE1 H 7.906 0.000 . 191 19 19 HIS C C 176.112 0.000 . 192 19 19 HIS CA C 60.830 0.050 . 193 19 19 HIS CB C 30.224 0.022 . 194 19 19 HIS CD2 C 118.850 0.000 . 195 19 19 HIS CE1 C 138.259 0.000 . 196 19 19 HIS N N 116.288 0.026 . 197 20 20 ALA H H 8.275 0.001 . 198 20 20 ALA HA H 3.948 0.001 . 199 20 20 ALA HB H 1.434 0.000 . 200 20 20 ALA C C 181.022 0.000 . 201 20 20 ALA CA C 55.399 0.038 . 202 20 20 ALA CB C 18.338 0.007 . 203 20 20 ALA N N 118.876 0.009 . 204 21 21 THR H H 8.112 0.001 . 205 21 21 THR HA H 3.687 0.004 . 206 21 21 THR HB H 3.902 0.006 . 207 21 21 THR HG2 H 1.074 0.001 . 208 21 21 THR C C 176.759 0.000 . 209 21 21 THR CA C 66.560 0.049 . 210 21 21 THR CB C 69.350 0.043 . 211 21 21 THR CG2 C 22.184 0.016 . 212 21 21 THR N N 112.023 0.007 . 213 22 22 LEU H H 7.709 0.004 . 214 22 22 LEU HA H 4.153 0.003 . 215 22 22 LEU HB2 H 1.040 0.001 . 216 22 22 LEU HB3 H 1.881 0.000 . 217 22 22 LEU HG H 1.546 0.001 . 218 22 22 LEU HD1 H 0.476 0.001 . 219 22 22 LEU HD2 H 0.559 0.001 . 220 22 22 LEU C C 178.476 0.000 . 221 22 22 LEU CA C 57.184 0.057 . 222 22 22 LEU CB C 41.180 0.058 . 223 22 22 LEU CG C 27.515 0.007 . 224 22 22 LEU CD1 C 21.791 0.028 . 225 22 22 LEU CD2 C 24.783 0.042 . 226 22 22 LEU N N 119.261 0.160 . 227 23 23 ALA H H 8.751 0.005 . 228 23 23 ALA HA H 4.635 0.000 . 229 23 23 ALA HB H 1.210 0.001 . 230 23 23 ALA C C 183.207 0.000 . 231 23 23 ALA CA C 54.955 0.045 . 232 23 23 ALA CB C 17.425 0.005 . 233 23 23 ALA N N 124.021 0.006 . 234 24 24 GLN H H 7.573 0.001 . 235 24 24 GLN HA H 3.977 0.001 . 236 24 24 GLN HB2 H 2.099 0.008 . 237 24 24 GLN HB3 H 2.147 0.000 . 238 24 24 GLN HG2 H 2.370 0.001 . 239 24 24 GLN HG3 H 2.455 0.002 . 240 24 24 GLN C C 176.954 0.000 . 241 24 24 GLN CA C 58.319 0.017 . 242 24 24 GLN CB C 27.843 0.017 . 243 24 24 GLN CG C 34.143 0.019 . 244 24 24 GLN N N 118.236 0.022 . 245 25 25 ALA H H 6.934 0.002 . 246 25 25 ALA HA H 4.303 0.002 . 247 25 25 ALA HB H 1.561 0.002 . 248 25 25 ALA C C 176.474 0.000 . 249 25 25 ALA CA C 51.832 0.010 . 250 25 25 ALA CB C 19.276 0.010 . 251 25 25 ALA N N 118.838 0.002 . 252 26 26 GLY H H 7.468 0.001 . 253 26 26 GLY HA2 H 3.958 0.001 . 254 26 26 GLY HA3 H 3.488 0.000 . 255 26 26 GLY C C 174.202 0.000 . 256 26 26 GLY CA C 44.949 0.013 . 257 26 26 GLY N N 104.798 0.003 . 258 27 27 TYR H H 7.472 0.001 . 259 27 27 TYR HA H 4.488 0.001 . 260 27 27 TYR HB2 H 2.627 0.000 . 261 27 27 TYR HB3 H 2.119 0.001 . 262 27 27 TYR HD1 H 7.006 0.000 . 263 27 27 TYR HD2 H 7.006 0.000 . 264 27 27 TYR HE1 H 6.665 0.000 . 265 27 27 TYR HE2 H 6.665 0.000 . 266 27 27 TYR C C 174.836 0.000 . 267 27 27 TYR CA C 57.892 0.062 . 268 27 27 TYR CB C 39.083 0.007 . 269 27 27 TYR CD1 C 133.207 0.000 . 270 27 27 TYR CE2 C 118.189 0.000 . 271 27 27 TYR N N 119.274 0.006 . 272 28 28 GLU H H 8.496 0.003 . 273 28 28 GLU HA H 4.534 0.000 . 274 28 28 GLU HB2 H 1.866 0.003 . 275 28 28 GLU HB3 H 1.962 0.002 . 276 28 28 GLU HG2 H 2.145 0.000 . 277 28 28 GLU C C 176.085 0.000 . 278 28 28 GLU CA C 55.306 0.037 . 279 28 28 GLU CB C 29.844 0.009 . 280 28 28 GLU CG C 35.562 0.002 . 281 28 28 GLU N N 122.362 0.036 . 282 29 29 VAL H H 8.852 0.001 . 283 29 29 VAL HA H 4.872 0.003 . 284 29 29 VAL HB H 1.724 0.000 . 285 29 29 VAL HG1 H 0.608 0.001 . 286 29 29 VAL HG2 H 0.647 0.001 . 287 29 29 VAL C C 175.044 0.000 . 288 29 29 VAL CA C 60.871 0.055 . 289 29 29 VAL CB C 33.707 0.028 . 290 29 29 VAL CG1 C 20.793 0.008 . 291 29 29 VAL CG2 C 22.304 0.004 . 292 29 29 VAL N N 128.827 0.006 . 293 30 30 THR H H 9.199 0.000 . 294 30 30 THR HA H 4.475 0.007 . 295 30 30 THR HB H 3.700 0.001 . 296 30 30 THR HG2 H 1.145 0.000 . 297 30 30 THR C C 172.949 0.000 . 298 30 30 THR CA C 61.924 0.033 . 299 30 30 THR CB C 70.997 0.058 . 300 30 30 THR CG2 C 21.778 0.011 . 301 30 30 THR N N 126.826 0.011 . 302 31 31 VAL H H 8.413 0.002 . 303 31 31 VAL HA H 5.648 0.002 . 304 31 31 VAL HB H 1.784 0.002 . 305 31 31 VAL HG1 H 0.766 0.000 . 306 31 31 VAL HG2 H 0.835 0.000 . 307 31 31 VAL C C 174.652 0.000 . 308 31 31 VAL CA C 58.206 0.039 . 309 31 31 VAL CB C 34.347 0.054 . 310 31 31 VAL CG1 C 18.957 0.000 . 311 31 31 VAL CG2 C 21.592 0.000 . 312 31 31 VAL N N 119.058 0.011 . 313 32 32 ALA H H 8.480 0.002 . 314 32 32 ALA HA H 4.490 0.002 . 315 32 32 ALA HB H 1.140 0.001 . 316 32 32 ALA C C 175.789 0.000 . 317 32 32 ALA CA C 50.414 0.095 . 318 32 32 ALA CB C 22.355 0.039 . 319 32 32 ALA N N 122.449 0.023 . 320 33 33 ALA H H 8.629 0.000 . 321 33 33 ALA HA H 4.462 0.003 . 322 33 33 ALA HB H 1.248 0.000 . 323 33 33 ALA C C 175.863 0.000 . 324 33 33 ALA CA C 52.184 0.056 . 325 33 33 ALA CB C 20.331 0.013 . 326 33 33 ALA N N 120.201 0.008 . 327 34 34 ASP H H 7.077 0.001 . 328 34 34 ASP HA H 4.607 0.001 . 329 34 34 ASP HB2 H 2.894 0.002 . 330 34 34 ASP HB3 H 2.703 0.000 . 331 34 34 ASP C C 175.909 0.000 . 332 34 34 ASP CA C 52.896 0.031 . 333 34 34 ASP CB C 43.187 0.023 . 334 34 34 ASP N N 109.501 0.006 . 335 35 35 GLY H H 8.611 0.001 . 336 35 35 GLY HA2 H 3.848 0.002 . 337 35 35 GLY HA3 H 3.627 0.002 . 338 35 35 GLY C C 174.923 0.000 . 339 35 35 GLY CA C 47.363 0.018 . 340 35 35 GLY N N 106.973 0.006 . 341 36 36 GLU H H 8.475 0.003 . 342 36 36 GLU HA H 4.028 0.003 . 343 36 36 GLU HB2 H 1.968 0.000 . 344 36 36 GLU HG2 H 2.145 0.001 . 345 36 36 GLU C C 178.288 0.000 . 346 36 36 GLU CA C 59.682 0.007 . 347 36 36 GLU CB C 28.946 0.054 . 348 36 36 GLU CG C 36.750 0.002 . 349 36 36 GLU N N 124.265 0.002 . 350 37 37 ALA H H 8.847 0.002 . 351 37 37 ALA HA H 4.130 0.000 . 352 37 37 ALA HB H 1.377 0.001 . 353 37 37 ALA C C 181.592 0.000 . 354 37 37 ALA CA C 54.579 0.031 . 355 37 37 ALA CB C 18.478 0.013 . 356 37 37 ALA N N 123.188 0.005 . 357 38 38 GLY H H 8.300 0.001 . 358 38 38 GLY HA2 H 3.341 0.001 . 359 38 38 GLY HA3 H 3.416 0.000 . 360 38 38 GLY C C 173.445 0.000 . 361 38 38 GLY CA C 47.288 0.012 . 362 38 38 GLY N N 102.697 0.005 . 363 39 39 PHE H H 8.113 0.001 . 364 39 39 PHE HA H 3.668 0.001 . 365 39 39 PHE HB2 H 3.058 0.000 . 366 39 39 PHE HB3 H 2.891 0.003 . 367 39 39 PHE HD1 H 6.965 0.000 . 368 39 39 PHE HD2 H 6.965 0.000 . 369 39 39 PHE HZ H 6.891 0.000 . 370 39 39 PHE C C 175.856 0.000 . 371 39 39 PHE CA C 62.542 0.059 . 372 39 39 PHE CB C 38.653 0.014 . 373 39 39 PHE CD1 C 131.471 0.000 . 374 39 39 PHE CZ C 128.045 0.000 . 375 39 39 PHE N N 121.943 0.010 . 376 40 40 ASP H H 7.826 0.001 . 377 40 40 ASP HA H 4.157 0.000 . 378 40 40 ASP HB2 H 2.620 0.004 . 379 40 40 ASP C C 179.889 0.000 . 380 40 40 ASP CA C 57.419 0.028 . 381 40 40 ASP CB C 40.227 0.028 . 382 40 40 ASP N N 117.651 0.009 . 383 41 41 LEU H H 7.746 0.001 . 384 41 41 LEU HA H 4.041 0.000 . 385 41 41 LEU HB2 H 1.896 0.000 . 386 41 41 LEU HG H 1.770 0.000 . 387 41 41 LEU HD1 H 0.843 0.003 . 388 41 41 LEU HD2 H 0.647 0.003 . 389 41 41 LEU C C 179.878 0.000 . 390 41 41 LEU CA C 57.967 0.023 . 391 41 41 LEU CB C 41.454 0.016 . 392 41 41 LEU CG C 26.298 0.064 . 393 41 41 LEU CD1 C 22.659 0.044 . 394 41 41 LEU CD2 C 24.861 0.000 . 395 41 41 LEU N N 119.431 0.008 . 396 42 42 ALA H H 8.070 0.002 . 397 42 42 ALA HA H 4.451 0.002 . 398 42 42 ALA HB H 0.924 0.000 . 399 42 42 ALA C C 177.942 0.000 . 400 42 42 ALA CA C 53.944 0.004 . 401 42 42 ALA CB C 17.898 0.018 . 402 42 42 ALA N N 123.524 0.007 . 403 43 43 ALA H H 8.069 0.001 . 404 43 43 ALA HA H 3.842 0.000 . 405 43 43 ALA HB H 1.022 0.001 . 406 43 43 ALA C C 178.964 0.000 . 407 43 43 ALA CA C 53.345 0.057 . 408 43 43 ALA CB C 17.422 0.031 . 409 43 43 ALA N N 116.096 0.010 . 410 44 44 THR H H 7.378 0.002 . 411 44 44 THR HA H 4.210 0.006 . 412 44 44 THR HB H 4.231 0.001 . 413 44 44 THR HG2 H 1.150 0.000 . 414 44 44 THR C C 174.292 0.000 . 415 44 44 THR CA C 63.091 0.036 . 416 44 44 THR CB C 70.299 0.025 . 417 44 44 THR CG2 C 21.521 0.053 . 418 44 44 THR N N 109.564 0.002 . 419 45 45 THR H H 7.625 0.001 . 420 45 45 THR HA H 4.049 0.003 . 421 45 45 THR HB H 3.443 0.003 . 422 45 45 THR HG2 H 0.332 0.002 . 423 45 45 THR C C 170.349 0.000 . 424 45 45 THR CA C 61.549 0.015 . 425 45 45 THR CB C 71.255 0.020 . 426 45 45 THR CG2 C 20.158 0.050 . 427 45 45 THR N N 120.001 0.006 . 428 46 46 ALA H H 7.920 0.000 . 429 46 46 ALA HA H 4.146 0.004 . 430 46 46 ALA HB H 0.982 0.000 . 431 46 46 ALA C C 176.354 0.000 . 432 46 46 ALA CA C 50.875 0.014 . 433 46 46 ALA CB C 17.284 0.011 . 434 46 46 ALA N N 126.595 0.007 . 435 47 47 TYR H H 7.918 0.002 . 436 47 47 TYR HA H 4.258 0.001 . 437 47 47 TYR HB2 H 2.528 0.000 . 438 47 47 TYR HB3 H 2.755 0.001 . 439 47 47 TYR HD1 H 6.981 0.000 . 440 47 47 TYR HD2 H 6.981 0.000 . 441 47 47 TYR HE1 H 6.613 0.000 . 442 47 47 TYR HE2 H 6.613 0.000 . 443 47 47 TYR C C 175.508 0.000 . 444 47 47 TYR CA C 59.022 0.053 . 445 47 47 TYR CB C 40.091 0.029 . 446 47 47 TYR CD1 C 133.558 0.000 . 447 47 47 TYR CE1 C 118.180 0.000 . 448 47 47 TYR N N 125.095 0.007 . 449 48 48 ASP H H 8.174 0.001 . 450 48 48 ASP HA H 4.366 0.004 . 451 48 48 ASP HB2 H 2.806 0.000 . 452 48 48 ASP HB3 H 3.370 0.002 . 453 48 48 ASP C C 174.946 0.000 . 454 48 48 ASP CA C 56.377 0.019 . 455 48 48 ASP CB C 42.630 0.032 . 456 48 48 ASP N N 120.330 0.008 . 457 49 49 LEU H H 7.459 0.001 . 458 49 49 LEU HA H 4.615 0.000 . 459 49 49 LEU HB2 H 1.371 0.002 . 460 49 49 LEU HB3 H 1.494 0.001 . 461 49 49 LEU HG H 1.169 0.000 . 462 49 49 LEU HD1 H 0.692 0.000 . 463 49 49 LEU HD2 H 0.489 0.002 . 464 49 49 LEU C C 173.851 0.000 . 465 49 49 LEU CA C 54.584 0.013 . 466 49 49 LEU CB C 44.954 0.014 . 467 49 49 LEU CG C 27.462 0.000 . 468 49 49 LEU CD1 C 24.796 0.061 . 469 49 49 LEU CD2 C 27.181 0.023 . 470 49 49 LEU N N 117.201 0.008 . 471 50 50 VAL H H 7.831 0.004 . 472 50 50 VAL HA H 5.046 0.000 . 473 50 50 VAL HB H 1.850 0.000 . 474 50 50 VAL HG1 H 0.537 0.001 . 475 50 50 VAL HG2 H 0.852 0.000 . 476 50 50 VAL C C 173.561 0.000 . 477 50 50 VAL CA C 60.134 0.037 . 478 50 50 VAL CB C 34.566 0.015 . 479 50 50 VAL CG1 C 20.094 0.015 . 480 50 50 VAL CG2 C 20.744 0.007 . 481 50 50 VAL N N 124.396 0.132 . 482 51 51 LEU H H 9.124 0.002 . 483 51 51 LEU HA H 5.249 0.003 . 484 51 51 LEU HB2 H 1.168 0.001 . 485 51 51 LEU HB3 H 1.407 0.002 . 486 51 51 LEU HD1 H 0.602 0.000 . 487 51 51 LEU C C 175.425 0.000 . 488 51 51 LEU CA C 52.673 0.017 . 489 51 51 LEU CB C 44.779 0.027 . 490 51 51 LEU CD1 C 25.817 0.021 . 491 51 51 LEU N N 126.816 0.005 . 492 52 52 THR H H 8.580 0.002 . 493 52 52 THR HA H 5.356 0.000 . 494 52 52 THR HB H 3.597 0.000 . 495 52 52 THR HG2 H 0.948 0.000 . 496 52 52 THR CA C 58.831 0.000 . 497 52 52 THR CB C 70.481 0.045 . 498 52 52 THR CG2 C 19.668 0.000 . 499 52 52 THR N N 115.264 0.010 . 500 53 53 ASP H H 7.991 0.015 . 501 53 53 ASP HA H 4.961 0.000 . 502 53 53 ASP HB2 H 2.988 0.000 . 503 53 53 ASP CA C 54.077 0.000 . 504 53 53 ASP CB C 42.596 0.000 . 505 53 53 ASP N N 127.437 0.129 . 506 57 57 PRO HA H 4.251 0.000 . 507 57 57 PRO HB2 H 2.271 0.003 . 508 57 57 PRO HG2 H 2.030 0.001 . 509 57 57 PRO HD2 H 3.745 0.000 . 510 57 57 PRO CA C 63.624 0.000 . 511 57 57 PRO CB C 32.327 0.009 . 512 57 57 PRO CG C 27.619 0.046 . 513 57 57 PRO CD C 50.772 0.006 . 514 59 59 LYS HA H 4.198 0.000 . 515 59 59 LYS HB2 H 1.511 0.000 . 516 59 59 LYS HB3 H 1.631 0.000 . 517 59 59 LYS HG2 H 1.284 0.000 . 518 59 59 LYS HD2 H 1.347 0.000 . 519 59 59 LYS HD3 H 1.402 0.000 . 520 59 59 LYS HE2 H 2.608 0.000 . 521 59 59 LYS HE3 H 2.658 0.000 . 522 59 59 LYS CA C 56.703 0.022 . 523 59 59 LYS CB C 33.368 0.029 . 524 59 59 LYS CG C 24.476 0.042 . 525 59 59 LYS CD C 28.921 0.020 . 526 59 59 LYS CE C 41.212 0.033 . 527 61 61 GLY HA2 H 3.727 0.000 . 528 61 61 GLY HA3 H 4.114 0.000 . 529 61 61 GLY CA C 47.950 0.031 . 530 62 62 LEU HB2 H 1.406 0.000 . 531 62 62 LEU HG H 1.383 0.000 . 532 62 62 LEU HD1 H 0.902 0.000 . 533 62 62 LEU HD2 H 0.819 0.000 . 534 62 62 LEU CB C 41.147 0.000 . 535 62 62 LEU CG C 27.408 0.000 . 536 62 62 LEU CD1 C 23.837 0.000 . 537 62 62 LEU CD2 C 26.265 0.000 . 538 65 65 ILE HA H 3.204 0.000 . 539 65 65 ILE HB H 1.641 0.000 . 540 65 65 ILE HG12 H 0.651 0.001 . 541 65 65 ILE HG13 H 1.963 0.000 . 542 65 65 ILE HG2 H 0.565 0.001 . 543 65 65 ILE HD1 H 0.588 0.002 . 544 65 65 ILE C C 176.625 0.000 . 545 65 65 ILE CA C 66.846 0.030 . 546 65 65 ILE CB C 37.753 0.035 . 547 65 65 ILE CG1 C 29.063 0.030 . 548 65 65 ILE CG2 C 15.995 0.004 . 549 65 65 ILE CD1 C 14.356 0.010 . 550 66 66 ALA H H 7.463 0.003 . 551 66 66 ALA HA H 4.095 0.002 . 552 66 66 ALA HB H 1.361 0.000 . 553 66 66 ALA C C 180.394 0.000 . 554 66 66 ALA CA C 54.913 0.007 . 555 66 66 ALA CB C 17.901 0.002 . 556 66 66 ALA N N 119.264 0.013 . 557 67 67 ALA H H 7.600 0.004 . 558 67 67 ALA HA H 4.008 0.001 . 559 67 67 ALA HB H 1.220 0.001 . 560 67 67 ALA C C 181.748 0.000 . 561 67 67 ALA CA C 54.810 0.017 . 562 67 67 ALA CB C 18.148 0.010 . 563 67 67 ALA N N 119.810 0.009 . 564 68 68 LEU H H 8.664 0.002 . 565 68 68 LEU HA H 3.873 0.002 . 566 68 68 LEU HB2 H 0.811 0.000 . 567 68 68 LEU HB3 H 1.880 0.001 . 568 68 68 LEU HD1 H 0.171 0.001 . 569 68 68 LEU HD2 H 0.394 0.003 . 570 68 68 LEU C C 178.970 0.000 . 571 68 68 LEU CA C 57.990 0.017 . 572 68 68 LEU CB C 41.315 0.046 . 573 68 68 LEU CD1 C 23.343 0.031 . 574 68 68 LEU CD2 C 26.242 0.022 . 575 68 68 LEU N N 120.139 0.050 . 576 69 69 ARG H H 7.973 0.003 . 577 69 69 ARG HA H 3.883 0.003 . 578 69 69 ARG HB2 H 1.913 0.000 . 579 69 69 ARG HB3 H 2.021 0.001 . 580 69 69 ARG HG2 H 1.792 0.001 . 581 69 69 ARG C C 177.216 0.000 . 582 69 69 ARG CA C 56.445 0.037 . 583 69 69 ARG CB C 29.259 0.014 . 584 69 69 ARG CG C 27.331 0.001 . 585 69 69 ARG CD C 42.591 0.000 . 586 69 69 ARG N N 113.017 0.012 . 587 70 70 GLN H H 7.134 0.002 . 588 70 70 GLN HA H 4.193 0.001 . 589 70 70 GLN HB2 H 2.040 0.001 . 590 70 70 GLN HB3 H 2.263 0.003 . 591 70 70 GLN HG2 H 2.383 0.000 . 592 70 70 GLN HG3 H 2.502 0.001 . 593 70 70 GLN HE21 H 6.701 0.000 . 594 70 70 GLN HE22 H 7.425 0.000 . 595 70 70 GLN C C 176.851 0.000 . 596 70 70 GLN CA C 55.939 0.067 . 597 70 70 GLN CB C 28.899 0.027 . 598 70 70 GLN CG C 33.886 0.029 . 599 70 70 GLN N N 115.478 0.008 . 600 70 70 GLN NE2 N 112.944 0.002 . 601 71 71 LEU H H 7.979 0.002 . 602 71 71 LEU HA H 4.511 0.002 . 603 71 71 LEU HB2 H 2.398 0.002 . 604 71 71 LEU HB3 H 1.639 0.000 . 605 71 71 LEU HD1 H 0.878 0.002 . 606 71 71 LEU C C 179.351 0.000 . 607 71 71 LEU CA C 54.093 0.010 . 608 71 71 LEU CB C 41.756 0.026 . 609 71 71 LEU CD1 C 22.501 0.023 . 610 71 71 LEU N N 122.180 0.022 . 611 72 72 SER H H 8.835 0.002 . 612 72 72 SER HA H 3.846 0.000 . 613 72 72 SER C C 177.014 0.000 . 614 72 72 SER CA C 62.442 0.006 . 615 72 72 SER N N 121.920 0.009 . 616 73 73 ALA H H 8.535 0.001 . 617 73 73 ALA HA H 4.017 0.002 . 618 73 73 ALA HB H 1.126 0.001 . 619 73 73 ALA C C 178.005 0.000 . 620 73 73 ALA CA C 53.633 0.014 . 621 73 73 ALA CB C 18.543 0.014 . 622 73 73 ALA N N 120.472 0.004 . 623 74 74 TYR H H 7.502 0.000 . 624 74 74 TYR HA H 5.026 0.000 . 625 74 74 TYR HB2 H 3.054 0.000 . 626 74 74 TYR HE1 H 6.801 0.000 . 627 74 74 TYR HE2 H 6.801 0.000 . 628 74 74 TYR C C 175.891 0.000 . 629 74 74 TYR CA C 57.219 0.052 . 630 74 74 TYR CB C 38.365 0.010 . 631 74 74 TYR CE2 C 118.051 0.000 . 632 74 74 TYR N N 114.878 0.016 . 633 75 75 ALA H H 7.218 0.002 . 634 75 75 ALA HA H 4.045 0.000 . 635 75 75 ALA HB H 1.367 0.001 . 636 75 75 ALA C C 178.911 0.000 . 637 75 75 ALA CA C 56.367 0.009 . 638 75 75 ALA CB C 18.849 0.015 . 639 75 75 ALA N N 123.621 0.040 . 640 76 76 ASP H H 8.462 0.001 . 641 76 76 ASP HA H 4.754 0.001 . 642 76 76 ASP HB2 H 2.379 0.000 . 643 76 76 ASP HB3 H 2.636 0.003 . 644 76 76 ASP C C 176.297 0.000 . 645 76 76 ASP CA C 53.315 0.044 . 646 76 76 ASP CB C 42.330 0.007 . 647 76 76 ASP N N 112.084 0.005 . 648 77 77 THR H H 6.997 0.002 . 649 77 77 THR HA H 4.194 0.003 . 650 77 77 THR HB H 3.698 0.003 . 651 77 77 THR HG2 H 1.297 0.003 . 652 77 77 THR CA C 61.846 0.012 . 653 77 77 THR CB C 71.329 0.077 . 654 77 77 THR CG2 C 20.484 0.008 . 655 77 77 THR N N 119.220 0.085 . 656 78 78 PRO HA H 4.676 0.000 . 657 78 78 PRO HB2 H 1.680 0.004 . 658 78 78 PRO HB3 H 2.124 0.001 . 659 78 78 PRO HG2 H 2.309 0.000 . 660 78 78 PRO HD2 H 4.208 0.002 . 661 78 78 PRO C C 175.553 0.000 . 662 78 78 PRO CA C 62.823 0.000 . 663 78 78 PRO CB C 30.841 0.012 . 664 78 78 PRO CG C 27.844 0.003 . 665 78 78 PRO CD C 50.888 0.006 . 666 79 79 ILE H H 7.967 0.002 . 667 79 79 ILE HA H 4.970 0.001 . 668 79 79 ILE HB H 1.504 0.001 . 669 79 79 ILE HG12 H 0.691 0.001 . 670 79 79 ILE HG13 H 1.803 0.003 . 671 79 79 ILE HG2 H 0.591 0.002 . 672 79 79 ILE HD1 H 0.690 0.001 . 673 79 79 ILE C C 175.368 0.000 . 674 79 79 ILE CA C 60.433 0.076 . 675 79 79 ILE CB C 41.133 0.008 . 676 79 79 ILE CG1 C 26.116 0.012 . 677 79 79 ILE CG2 C 16.653 0.000 . 678 79 79 ILE CD1 C 14.001 0.014 . 679 79 79 ILE N N 121.597 0.010 . 680 80 80 LEU H H 8.915 0.002 . 681 80 80 LEU HA H 4.998 0.002 . 682 80 80 LEU HB2 H 0.942 0.002 . 683 80 80 LEU HB3 H 1.475 0.002 . 684 80 80 LEU HG H 1.247 0.001 . 685 80 80 LEU HD1 H 0.425 0.001 . 686 80 80 LEU HD2 H 0.526 0.001 . 687 80 80 LEU C C 175.060 0.000 . 688 80 80 LEU CA C 52.680 0.020 . 689 80 80 LEU CB C 44.468 0.017 . 690 80 80 LEU CG C 27.708 0.006 . 691 80 80 LEU CD1 C 23.212 0.032 . 692 80 80 LEU CD2 C 24.921 0.004 . 693 80 80 LEU N N 126.874 0.006 . 694 81 81 VAL H H 8.161 0.002 . 695 81 81 VAL HA H 5.268 0.002 . 696 81 81 VAL HB H 1.928 0.001 . 697 81 81 VAL HG1 H 1.107 0.002 . 698 81 81 VAL HG2 H 1.011 0.002 . 699 81 81 VAL C C 174.194 0.000 . 700 81 81 VAL CA C 58.080 0.026 . 701 81 81 VAL CB C 34.667 0.012 . 702 81 81 VAL CG1 C 20.706 0.024 . 703 81 81 VAL CG2 C 22.049 0.029 . 704 81 81 VAL N N 119.498 0.008 . 705 82 82 LEU H H 8.924 0.009 . 706 82 82 LEU HA H 5.323 0.003 . 707 82 82 LEU HB2 H 1.181 0.001 . 708 82 82 LEU HB3 H 1.874 0.001 . 709 82 82 LEU HG H 1.499 0.000 . 710 82 82 LEU HD1 H 0.727 0.000 . 711 82 82 LEU C C 175.919 0.000 . 712 82 82 LEU CA C 53.761 0.011 . 713 82 82 LEU CB C 42.132 0.028 . 714 82 82 LEU CG C 28.007 0.000 . 715 82 82 LEU CD1 C 25.403 0.000 . 716 82 82 LEU N N 128.767 0.058 . 717 83 83 THR H H 8.528 0.002 . 718 83 83 THR HA H 4.931 0.001 . 719 83 83 THR HB H 3.674 0.001 . 720 83 83 THR HG2 H 0.814 0.002 . 721 83 83 THR C C 173.211 0.000 . 722 83 83 THR CA C 58.911 0.079 . 723 83 83 THR CB C 70.779 0.017 . 724 83 83 THR CG2 C 19.637 0.059 . 725 83 83 THR N N 114.488 0.012 . 726 84 84 THR H H 8.198 0.001 . 727 84 84 THR HA H 4.450 0.003 . 728 84 84 THR HB H 4.235 0.000 . 729 84 84 THR HG2 H 1.118 0.000 . 730 84 84 THR C C 174.998 0.000 . 731 84 84 THR CA C 61.527 0.058 . 732 84 84 THR CB C 69.649 0.033 . 733 84 84 THR CG2 C 22.178 0.001 . 734 84 84 THR N N 115.784 0.025 . 735 85 85 GLU H H 8.363 0.002 . 736 85 85 GLU HA H 4.142 0.007 . 737 85 85 GLU HB2 H 1.674 0.020 . 738 85 85 GLU HB3 H 1.740 0.000 . 739 85 85 GLU HG2 H 1.976 0.000 . 740 85 85 GLU HG3 H 2.045 0.001 . 741 85 85 GLU C C 175.944 0.000 . 742 85 85 GLU CA C 56.399 0.021 . 743 85 85 GLU CB C 30.412 0.025 . 744 85 85 GLU CG C 35.882 0.040 . 745 85 85 GLU N N 124.061 0.020 . 746 86 86 GLY H H 8.705 0.001 . 747 86 86 GLY HA2 H 3.880 0.000 . 748 86 86 GLY HA3 H 3.445 0.002 . 749 86 86 GLY C C 174.895 0.000 . 750 86 86 GLY CA C 45.440 0.020 . 751 86 86 GLY N N 112.952 0.007 . 752 87 87 SER H H 7.545 0.001 . 753 87 87 SER HA H 4.415 0.002 . 754 87 87 SER HB2 H 3.925 0.001 . 755 87 87 SER HB3 H 4.101 0.001 . 756 87 87 SER C C 174.836 0.000 . 757 87 87 SER CA C 57.095 0.057 . 758 87 87 SER CB C 64.176 0.044 . 759 87 87 SER N N 116.155 0.002 . 760 88 88 ASP H H 8.638 0.003 . 761 88 88 ASP HA H 4.089 0.001 . 762 88 88 ASP HB2 H 2.503 0.000 . 763 88 88 ASP C C 178.940 0.000 . 764 88 88 ASP CA C 57.825 0.019 . 765 88 88 ASP CB C 39.754 0.024 . 766 88 88 ASP N N 122.080 0.011 . 767 89 89 ALA H H 8.372 0.001 . 768 89 89 ALA HA H 4.010 0.000 . 769 89 89 ALA HB H 1.292 0.000 . 770 89 89 ALA C C 180.568 0.000 . 771 89 89 ALA CA C 55.052 0.005 . 772 89 89 ALA CB C 17.749 0.001 . 773 89 89 ALA N N 122.526 0.057 . 774 90 90 PHE H H 7.973 0.001 . 775 90 90 PHE HA H 3.976 0.000 . 776 90 90 PHE HB2 H 3.093 0.002 . 777 90 90 PHE HB3 H 2.754 0.001 . 778 90 90 PHE HD1 H 6.854 0.000 . 779 90 90 PHE HD2 H 6.854 0.000 . 780 90 90 PHE C C 176.379 0.000 . 781 90 90 PHE CA C 61.543 0.016 . 782 90 90 PHE CB C 38.573 0.056 . 783 90 90 PHE CD2 C 132.586 0.000 . 784 90 90 PHE N N 121.537 0.004 . 785 91 91 LYS H H 7.908 0.002 . 786 91 91 LYS HA H 2.785 0.003 . 787 91 91 LYS HB2 H 1.168 0.003 . 788 91 91 LYS HB3 H 1.382 0.006 . 789 91 91 LYS HG2 H -0.244 0.014 . 790 91 91 LYS HG3 H 1.041 0.004 . 791 91 91 LYS HD2 H 1.124 0.009 . 792 91 91 LYS HD3 H 1.140 0.000 . 793 91 91 LYS HE2 H 2.233 0.001 . 794 91 91 LYS HE3 H 2.397 0.000 . 795 91 91 LYS C C 178.608 0.000 . 796 91 91 LYS CA C 59.963 0.038 . 797 91 91 LYS CB C 32.074 0.048 . 798 91 91 LYS CG C 25.632 0.013 . 799 91 91 LYS CD C 29.921 0.044 . 800 91 91 LYS CE C 41.864 0.007 . 801 91 91 LYS N N 118.890 0.010 . 802 92 92 ALA H H 7.525 0.004 . 803 92 92 ALA HA H 3.867 0.001 . 804 92 92 ALA HB H 1.295 0.003 . 805 92 92 ALA C C 179.546 0.000 . 806 92 92 ALA CA C 54.864 0.040 . 807 92 92 ALA CB C 17.743 0.033 . 808 92 92 ALA N N 120.465 0.005 . 809 93 93 ALA H H 7.415 0.001 . 810 93 93 ALA HA H 3.920 0.000 . 811 93 93 ALA HB H 1.179 0.001 . 812 93 93 ALA C C 180.915 0.000 . 813 93 93 ALA CA C 54.536 0.006 . 814 93 93 ALA CB C 17.566 0.009 . 815 93 93 ALA N N 121.500 0.015 . 816 94 94 ALA H H 8.735 0.000 . 817 94 94 ALA HA H 3.668 0.001 . 818 94 94 ALA HB H 0.820 0.000 . 819 94 94 ALA C C 179.573 0.000 . 820 94 94 ALA CA C 54.645 0.005 . 821 94 94 ALA CB C 16.689 0.017 . 822 94 94 ALA N N 122.446 0.004 . 823 95 95 ARG H H 8.078 0.003 . 824 95 95 ARG HA H 4.099 0.003 . 825 95 95 ARG HB2 H 1.940 0.004 . 826 95 95 ARG HG2 H 1.583 0.001 . 827 95 95 ARG HG3 H 1.853 0.000 . 828 95 95 ARG HD2 H 3.192 0.000 . 829 95 95 ARG C C 180.587 0.000 . 830 95 95 ARG CA C 59.369 0.005 . 831 95 95 ARG CB C 29.534 0.023 . 832 95 95 ARG CG C 26.972 0.004 . 833 95 95 ARG CD C 43.193 0.027 . 834 95 95 ARG N N 120.402 0.015 . 835 96 96 ASP H H 8.006 0.002 . 836 96 96 ASP HA H 4.222 0.003 . 837 96 96 ASP HB2 H 2.569 0.002 . 838 96 96 ASP C C 177.661 0.000 . 839 96 96 ASP CA C 57.197 0.040 . 840 96 96 ASP CB C 40.073 0.027 . 841 96 96 ASP N N 121.361 0.013 . 842 97 97 ALA H H 7.621 0.002 . 843 97 97 ALA HA H 4.104 0.001 . 844 97 97 ALA HB H 1.380 0.001 . 845 97 97 ALA C C 177.076 0.000 . 846 97 97 ALA CA C 53.342 0.031 . 847 97 97 ALA CB C 19.328 0.009 . 848 97 97 ALA N N 119.572 0.010 . 849 98 98 GLY H H 7.411 0.001 . 850 98 98 GLY HA2 H 4.318 0.001 . 851 98 98 GLY HA3 H 3.675 0.002 . 852 98 98 GLY C C 175.270 0.000 . 853 98 98 GLY CA C 44.529 0.015 . 854 98 98 GLY N N 101.006 0.004 . 855 99 99 ALA H H 8.426 0.001 . 856 99 99 ALA HA H 3.985 0.000 . 857 99 99 ALA HB H 1.242 0.000 . 858 99 99 ALA C C 176.938 0.000 . 859 99 99 ALA CA C 52.957 0.035 . 860 99 99 ALA CB C 18.935 0.023 . 861 99 99 ALA N N 123.441 0.004 . 862 100 100 THR H H 9.320 0.001 . 863 100 100 THR HA H 3.940 0.000 . 864 100 100 THR HB H 3.601 0.002 . 865 100 100 THR HG2 H 1.233 0.000 . 866 100 100 THR C C 174.347 0.000 . 867 100 100 THR CA C 64.952 0.027 . 868 100 100 THR CB C 68.852 0.019 . 869 100 100 THR CG2 C 21.679 0.067 . 870 100 100 THR N N 120.650 0.013 . 871 101 101 GLY H H 7.185 0.002 . 872 101 101 GLY HA2 H 3.473 0.000 . 873 101 101 GLY HA3 H 3.105 0.000 . 874 101 101 GLY C C 170.186 0.000 . 875 101 101 GLY CA C 44.565 0.017 . 876 101 101 GLY N N 104.233 0.013 . 877 102 102 TRP H H 7.520 0.002 . 878 102 102 TRP HA H 5.857 0.001 . 879 102 102 TRP HB2 H 3.031 0.003 . 880 102 102 TRP HB3 H 3.278 0.004 . 881 102 102 TRP HD1 H 6.943 0.000 . 882 102 102 TRP HE1 H 10.151 0.000 . 883 102 102 TRP HE3 H 7.064 0.000 . 884 102 102 TRP HZ2 H 7.382 0.000 . 885 102 102 TRP HZ3 H 6.762 0.000 . 886 102 102 TRP HH2 H 7.053 0.000 . 887 102 102 TRP C C 174.590 0.000 . 888 102 102 TRP CA C 53.790 0.017 . 889 102 102 TRP CB C 31.920 0.014 . 890 102 102 TRP CD1 C 127.026 0.000 . 891 102 102 TRP CE3 C 120.113 0.000 . 892 102 102 TRP CZ2 C 114.600 0.000 . 893 102 102 TRP CZ3 C 121.758 0.000 . 894 102 102 TRP CH2 C 124.533 0.000 . 895 102 102 TRP N N 117.097 0.020 . 896 102 102 TRP NE1 N 129.684 0.000 . 897 103 103 ILE H H 8.724 0.003 . 898 103 103 ILE HA H 4.064 0.001 . 899 103 103 ILE HB H 1.463 0.001 . 900 103 103 ILE HG12 H 0.807 0.001 . 901 103 103 ILE HG13 H 1.213 0.002 . 902 103 103 ILE HG2 H 0.680 0.001 . 903 103 103 ILE HD1 H 0.530 0.001 . 904 103 103 ILE C C 174.472 0.000 . 905 103 103 ILE CA C 60.297 0.038 . 906 103 103 ILE CB C 41.173 0.052 . 907 103 103 ILE CG1 C 26.992 0.019 . 908 103 103 ILE CG2 C 17.407 0.013 . 909 103 103 ILE CD1 C 14.305 0.004 . 910 103 103 ILE N N 120.017 0.013 . 911 104 104 GLU H H 8.608 0.001 . 912 104 104 GLU HA H 4.618 0.000 . 913 104 104 GLU HB2 H 1.842 0.025 . 914 104 104 GLU HG2 H 2.140 0.000 . 915 104 104 GLU C C 175.744 0.000 . 916 104 104 GLU CA C 56.062 0.000 . 917 104 104 GLU CB C 30.563 0.015 . 918 104 104 GLU CG C 36.957 0.017 . 919 104 104 GLU N N 127.304 0.005 . 920 105 105 LYS H H 8.213 0.001 . 921 105 105 LYS HA H 4.014 0.000 . 922 105 105 LYS HB2 H 1.361 0.000 . 923 105 105 LYS HB3 H 1.705 0.002 . 924 105 105 LYS HG2 H 1.101 0.002 . 925 105 105 LYS HG3 H 1.352 0.012 . 926 105 105 LYS HD2 H 1.543 0.000 . 927 105 105 LYS HE2 H 2.602 0.000 . 928 105 105 LYS HE3 H 2.671 0.000 . 929 105 105 LYS CA C 54.553 0.009 . 930 105 105 LYS CB C 33.080 0.061 . 931 105 105 LYS CG C 26.437 0.040 . 932 105 105 LYS CD C 30.139 0.019 . 933 105 105 LYS CE C 41.748 0.007 . 934 105 105 LYS N N 122.317 0.011 . 935 106 106 PRO HA H 4.342 0.001 . 936 106 106 PRO HB2 H 1.913 0.001 . 937 106 106 PRO HB3 H 2.257 0.004 . 938 106 106 PRO HG2 H 1.791 0.006 . 939 106 106 PRO HG3 H 1.829 0.003 . 940 106 106 PRO HD2 H 3.389 0.002 . 941 106 106 PRO HD3 H 3.526 0.000 . 942 106 106 PRO C C 175.915 0.000 . 943 106 106 PRO CA C 61.659 0.002 . 944 106 106 PRO CB C 34.338 0.021 . 945 106 106 PRO CG C 24.801 0.010 . 946 106 106 PRO CD C 50.683 0.031 . 947 107 107 ILE H H 8.428 0.000 . 948 107 107 ILE HA H 4.043 0.001 . 949 107 107 ILE HB H 1.660 0.001 . 950 107 107 ILE HG12 H 1.129 0.001 . 951 107 107 ILE HG13 H 1.307 0.000 . 952 107 107 ILE HG2 H 0.624 0.000 . 953 107 107 ILE HD1 H 0.629 0.001 . 954 107 107 ILE C C 174.983 0.000 . 955 107 107 ILE CA C 59.740 0.013 . 956 107 107 ILE CB C 38.626 0.038 . 957 107 107 ILE CG1 C 27.553 0.011 . 958 107 107 ILE CG2 C 17.612 0.010 . 959 107 107 ILE CD1 C 13.135 0.017 . 960 107 107 ILE N N 120.941 0.005 . 961 108 108 ASP H H 8.480 0.002 . 962 108 108 ASP HA H 5.002 0.000 . 963 108 108 ASP HB2 H 2.528 0.000 . 964 108 108 ASP HB3 H 2.698 0.000 . 965 108 108 ASP CA C 50.469 0.000 . 966 108 108 ASP CB C 42.267 0.003 . 967 108 108 ASP N N 128.684 0.007 . 968 109 109 PRO HA H 3.851 0.001 . 969 109 109 PRO HB2 H 1.974 0.000 . 970 109 109 PRO HB3 H 2.271 0.001 . 971 109 109 PRO HG2 H 2.111 0.000 . 972 109 109 PRO HG3 H 1.774 0.001 . 973 109 109 PRO HD2 H 3.823 0.003 . 974 109 109 PRO HD3 H 3.899 0.003 . 975 109 109 PRO C C 177.648 0.000 . 976 109 109 PRO CA C 65.616 0.002 . 977 109 109 PRO CB C 32.464 0.021 . 978 109 109 PRO CG C 27.538 0.000 . 979 109 109 PRO CD C 51.062 0.030 . 980 110 110 GLY H H 8.055 0.001 . 981 110 110 GLY HA2 H 3.722 0.012 . 982 110 110 GLY HA3 H 3.768 0.000 . 983 110 110 GLY C C 176.846 0.000 . 984 110 110 GLY CA C 46.890 0.010 . 985 110 110 GLY N N 105.077 0.005 . 986 111 111 VAL H H 7.537 0.001 . 987 111 111 VAL HA H 3.629 0.000 . 988 111 111 VAL HB H 2.123 0.000 . 989 111 111 VAL HG1 H 0.879 0.000 . 990 111 111 VAL HG2 H 0.940 0.001 . 991 111 111 VAL C C 178.507 0.000 . 992 111 111 VAL CA C 65.421 0.027 . 993 111 111 VAL CB C 31.964 0.013 . 994 111 111 VAL CG1 C 20.764 0.010 . 995 111 111 VAL CG2 C 22.474 0.030 . 996 111 111 VAL N N 123.957 0.005 . 997 112 112 LEU H H 7.839 0.001 . 998 112 112 LEU HA H 3.849 0.001 . 999 112 112 LEU HB2 H 1.269 0.004 . 1000 112 112 LEU HB3 H 1.899 0.000 . 1001 112 112 LEU HD1 H 0.658 0.000 . 1002 112 112 LEU HD2 H 0.633 0.000 . 1003 112 112 LEU C C 177.479 0.000 . 1004 112 112 LEU CA C 58.251 0.019 . 1005 112 112 LEU CB C 41.371 0.023 . 1006 112 112 LEU CD1 C 22.935 0.000 . 1007 112 112 LEU CD2 C 26.178 0.000 . 1008 112 112 LEU N N 120.198 0.010 . 1009 113 113 VAL H H 7.736 0.001 . 1010 113 113 VAL HA H 3.268 0.002 . 1011 113 113 VAL HB H 2.044 0.000 . 1012 113 113 VAL HG1 H 0.927 0.000 . 1013 113 113 VAL HG2 H 0.936 0.000 . 1014 113 113 VAL C C 178.588 0.000 . 1015 113 113 VAL CA C 67.371 0.043 . 1016 113 113 VAL CB C 31.639 0.033 . 1017 113 113 VAL CG1 C 21.555 0.031 . 1018 113 113 VAL CG2 C 23.701 0.028 . 1019 113 113 VAL N N 116.320 0.007 . 1020 114 114 GLU H H 7.535 0.001 . 1021 114 114 GLU HA H 3.991 0.001 . 1022 114 114 GLU HB2 H 1.981 0.000 . 1023 114 114 GLU HG2 H 2.143 0.000 . 1024 114 114 GLU HG3 H 2.270 0.000 . 1025 114 114 GLU C C 178.779 0.000 . 1026 114 114 GLU CA C 59.185 0.041 . 1027 114 114 GLU CB C 29.247 0.028 . 1028 114 114 GLU CG C 36.017 0.010 . 1029 114 114 GLU N N 120.489 0.012 . 1030 115 115 LEU H H 8.264 0.002 . 1031 115 115 LEU HA H 3.997 0.000 . 1032 115 115 LEU HB2 H 1.637 0.001 . 1033 115 115 LEU HG H 1.452 0.000 . 1034 115 115 LEU HD1 H 0.700 0.000 . 1035 115 115 LEU HD2 H 0.647 0.000 . 1036 115 115 LEU C C 180.012 0.000 . 1037 115 115 LEU CA C 58.082 0.006 . 1038 115 115 LEU CB C 41.619 0.030 . 1039 115 115 LEU CG C 26.865 0.000 . 1040 115 115 LEU CD1 C 24.363 0.000 . 1041 115 115 LEU CD2 C 25.224 0.000 . 1042 115 115 LEU N N 121.886 0.096 . 1043 116 116 VAL H H 8.017 0.002 . 1044 116 116 VAL HA H 3.171 0.001 . 1045 116 116 VAL HB H 1.694 0.000 . 1046 116 116 VAL HG1 H 0.334 0.003 . 1047 116 116 VAL HG2 H 0.584 0.001 . 1048 116 116 VAL C C 177.964 0.000 . 1049 116 116 VAL CA C 67.077 0.007 . 1050 116 116 VAL CB C 30.912 0.008 . 1051 116 116 VAL CG1 C 21.255 0.021 . 1052 116 116 VAL CG2 C 22.328 0.026 . 1053 116 116 VAL N N 118.896 0.004 . 1054 117 117 ALA H H 7.808 0.002 . 1055 117 117 ALA HA H 4.048 0.000 . 1056 117 117 ALA HB H 1.500 0.001 . 1057 117 117 ALA C C 180.797 0.000 . 1058 117 117 ALA CA C 55.255 0.026 . 1059 117 117 ALA CB C 17.818 0.010 . 1060 117 117 ALA N N 121.471 0.004 . 1061 118 118 THR H H 7.805 0.001 . 1062 118 118 THR HA H 4.067 0.000 . 1063 118 118 THR HB H 4.257 0.000 . 1064 118 118 THR HG2 H 1.233 0.000 . 1065 118 118 THR C C 176.354 0.000 . 1066 118 118 THR CA C 64.797 0.029 . 1067 118 118 THR CB C 69.418 0.025 . 1068 118 118 THR CG2 C 21.541 0.003 . 1069 118 118 THR N N 111.417 0.011 . 1070 119 119 LEU H H 7.508 0.001 . 1071 119 119 LEU HA H 4.087 0.000 . 1072 119 119 LEU HB2 H 1.336 0.002 . 1073 119 119 LEU HB3 H 1.766 0.000 . 1074 119 119 LEU HG H 1.741 0.000 . 1075 119 119 LEU HD1 H 0.674 0.001 . 1076 119 119 LEU HD2 H 0.641 0.000 . 1077 119 119 LEU C C 177.628 0.000 . 1078 119 119 LEU CA C 56.305 0.003 . 1079 119 119 LEU CB C 42.097 0.014 . 1080 119 119 LEU CG C 26.393 0.000 . 1081 119 119 LEU CD1 C 22.510 0.007 . 1082 119 119 LEU CD2 C 26.704 0.000 . 1083 119 119 LEU N N 121.105 0.010 . 1084 120 120 SER H H 7.547 0.001 . 1085 120 120 SER HA H 4.392 0.001 . 1086 120 120 SER HB2 H 3.923 0.000 . 1087 120 120 SER C C 173.872 0.000 . 1088 120 120 SER CA C 58.525 0.042 . 1089 120 120 SER CB C 64.322 0.028 . 1090 120 120 SER N N 112.975 0.020 . 1091 121 121 GLU H H 7.612 0.001 . 1092 121 121 GLU HA H 4.531 0.000 . 1093 121 121 GLU HB2 H 1.852 0.000 . 1094 121 121 GLU HB3 H 1.935 0.000 . 1095 121 121 GLU HG2 H 2.217 0.001 . 1096 121 121 GLU CA C 54.095 0.000 . 1097 121 121 GLU CB C 29.913 0.004 . 1098 121 121 GLU CG C 35.679 0.002 . 1099 121 121 GLU N N 122.120 0.007 . 1100 122 122 PRO HA H 4.316 0.001 . 1101 122 122 PRO HB2 H 1.799 0.001 . 1102 122 122 PRO HB3 H 2.185 0.003 . 1103 122 122 PRO HG2 H 1.910 0.000 . 1104 122 122 PRO HD2 H 3.687 0.004 . 1105 122 122 PRO HD3 H 3.571 0.005 . 1106 122 122 PRO C C 176.808 0.000 . 1107 122 122 PRO CA C 62.971 0.009 . 1108 122 122 PRO CB C 32.010 0.032 . 1109 122 122 PRO CG C 27.277 0.029 . 1110 122 122 PRO CD C 50.547 0.010 . 1111 123 123 ALA H H 8.273 0.001 . 1112 123 123 ALA HA H 4.178 0.000 . 1113 123 123 ALA HB H 1.284 0.001 . 1114 123 123 ALA C C 177.462 0.000 . 1115 123 123 ALA CA C 52.113 0.015 . 1116 123 123 ALA CB C 19.209 0.021 . 1117 123 123 ALA N N 124.487 0.006 . 1118 124 124 ALA H H 8.183 0.000 . 1119 124 124 ALA HA H 4.215 0.001 . 1120 124 124 ALA HB H 1.271 0.000 . 1121 124 124 ALA C C 176.657 0.000 . 1122 124 124 ALA CA C 52.254 0.000 . 1123 124 124 ALA CB C 19.307 0.000 . 1124 124 124 ALA N N 124.306 0.006 . 1125 125 125 ASN H H 7.826 0.001 . 1126 125 125 ASN HA H 4.338 0.003 . 1127 125 125 ASN HB2 H 2.561 0.001 . 1128 125 125 ASN HB3 H 2.632 0.001 . 1129 125 125 ASN CA C 54.573 0.024 . 1130 125 125 ASN CB C 40.409 0.010 . 1131 125 125 ASN N N 123.482 0.002 . stop_ save_