data_19618 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C resonance assignment of a transport protein ; _BMRB_accession_number 19618 _BMRB_flat_file_name bmr19618.str _Entry_type original _Submission_date 2013-11-18 _Accession_date 2013-11-18 _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 Zhang Yi . . 2 Wang Lei . . 3 Hu Yunfei . . 4 Jin Changwen . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 603 "13C chemical shifts" 469 "15N chemical shifts" 116 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-04-30 update BMRB 'update entry citation' 2014-04-28 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the TatB component of the twin-arginine translocation system.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24699374 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Yi . . 2 Wang Lei . . 3 Hu Yunfei . . 4 Jin Changwen . . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta' _Journal_name_full 'Biochimica et biophysica acta' _Journal_volume 1838 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1881 _Page_last 1888 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'transport protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'transport protein' $transport_protein 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_transport_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common protein _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 109 _Mol_residue_sequence ; MFDIGFSELLLVFIIGLVVL GPQRLPVAVKTVAGWIRALR SLATTVQNELTQELKLQEFQ DSLKKVEKASLTNLTPELKA SMDELRQAAESMKRSYVAND PLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 PHE 3 ASP 4 ILE 5 GLY 6 PHE 7 SER 8 GLU 9 LEU 10 LEU 11 LEU 12 VAL 13 PHE 14 ILE 15 ILE 16 GLY 17 LEU 18 VAL 19 VAL 20 LEU 21 GLY 22 PRO 23 GLN 24 ARG 25 LEU 26 PRO 27 VAL 28 ALA 29 VAL 30 LYS 31 THR 32 VAL 33 ALA 34 GLY 35 TRP 36 ILE 37 ARG 38 ALA 39 LEU 40 ARG 41 SER 42 LEU 43 ALA 44 THR 45 THR 46 VAL 47 GLN 48 ASN 49 GLU 50 LEU 51 THR 52 GLN 53 GLU 54 LEU 55 LYS 56 LEU 57 GLN 58 GLU 59 PHE 60 GLN 61 ASP 62 SER 63 LEU 64 LYS 65 LYS 66 VAL 67 GLU 68 LYS 69 ALA 70 SER 71 LEU 72 THR 73 ASN 74 LEU 75 THR 76 PRO 77 GLU 78 LEU 79 LYS 80 ALA 81 SER 82 MET 83 ASP 84 GLU 85 LEU 86 ARG 87 GLN 88 ALA 89 ALA 90 GLU 91 SER 92 MET 93 LYS 94 ARG 95 SER 96 TYR 97 VAL 98 ALA 99 ASN 100 ASP 101 PRO 102 LEU 103 GLU 104 HIS 105 HIS 106 HIS 107 HIS 108 HIS 109 HIS 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 2MI2 "Solution Structure Of The E. Coli Tatb Protein In Dpc Micelles" 100.00 109 100.00 100.00 3.10e-72 GB EIQ59273 "twin arginine-targeting protein translocase TatB, partial [Escherichia coli EPECa12]" 77.98 85 100.00 100.00 7.56e-52 GB EYV46754 "preprotein translocase, partial [Escherichia coli O145:NM str. 2010C-3507]" 90.83 99 100.00 100.00 3.30e-63 REF WP_053263795 "preprotein translocase [Escherichia coli]" 92.66 171 100.00 100.00 3.05e-65 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $transport_protein 'E. coli' 562 Bacteria . Escherichia coli 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 $transport_protein 'recombinant technology' . Escherichia coli . pET-21a 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 $transport_protein 1 mM '[U-100% 13C; U-100% 15N]' 'sodium acetate' 20 mM 'natural abundance' DPC 40 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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_1 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_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _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_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.02 . M pH 5.5 . pH pressure 1 . atm temperature 313 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D 1H-13C NOESY aromatic' '3D 1H-13C NOESY aliphatic' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'transport protein' _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 H H 8.592 0.005 1 2 1 1 MET HA H 4.246 0.002 1 3 1 1 MET HB2 H 1.811 0.001 2 4 1 1 MET HB3 H 1.753 0.002 2 5 1 1 MET HG2 H 2.254 0.006 1 6 1 1 MET HE H 1.949 0.004 1 7 1 1 MET C C 174.950 0.200 1 8 1 1 MET CA C 55.442 0.006 1 9 1 1 MET CB C 33.803 0.010 1 10 1 1 MET CG C 32.097 0.001 1 11 1 1 MET CE C 17.212 0.007 1 12 1 1 MET N N 128.515 0.039 1 13 2 2 PHE H H 8.192 0.003 1 14 2 2 PHE HA H 4.627 0.005 1 15 2 2 PHE HB2 H 2.973 0.004 2 16 2 2 PHE HB3 H 3.251 0.002 2 17 2 2 PHE HD1 H 7.223 0.004 3 18 2 2 PHE HD2 H 7.223 0.004 3 19 2 2 PHE HE1 H 7.203 0.003 3 20 2 2 PHE HE2 H 7.203 0.003 3 21 2 2 PHE HZ H 7.091 0.003 1 22 2 2 PHE C C 174.630 0.200 1 23 2 2 PHE CA C 57.130 0.200 1 24 2 2 PHE CB C 39.429 0.019 1 25 2 2 PHE CD1 C 132.211 0.003 3 26 2 2 PHE CD2 C 132.211 0.003 3 27 2 2 PHE CE1 C 131.028 0.074 3 28 2 2 PHE CE2 C 131.028 0.074 3 29 2 2 PHE CZ C 128.935 0.200 1 30 2 2 PHE N N 117.034 0.038 1 31 3 3 ASP H H 8.173 0.003 1 32 3 3 ASP HA H 4.666 0.005 1 33 3 3 ASP HB2 H 2.602 0.003 2 34 3 3 ASP HB3 H 2.766 0.004 2 35 3 3 ASP C C 175.430 0.200 1 36 3 3 ASP CA C 54.500 0.200 1 37 3 3 ASP CB C 41.078 0.001 1 38 3 3 ASP N N 120.891 0.044 1 39 4 4 ILE H H 7.891 0.003 1 40 4 4 ILE HA H 4.172 0.003 1 41 4 4 ILE HB H 1.868 0.001 1 42 4 4 ILE HG12 H 1.215 0.003 2 43 4 4 ILE HG13 H 1.550 0.003 2 44 4 4 ILE HG2 H 0.920 0.002 1 45 4 4 ILE HD1 H 0.833 0.003 1 46 4 4 ILE C C 175.320 0.200 1 47 4 4 ILE CA C 61.248 0.003 1 48 4 4 ILE CB C 39.368 0.014 1 49 4 4 ILE CG1 C 27.548 0.020 1 50 4 4 ILE CG2 C 17.777 0.047 1 51 4 4 ILE CD1 C 13.519 0.017 1 52 4 4 ILE N N 120.399 0.014 1 53 5 5 GLY H H 8.372 0.006 1 54 5 5 GLY HA2 H 4.249 0.002 2 55 5 5 GLY HA3 H 3.998 0.002 2 56 5 5 GLY C C 174.310 0.200 1 57 5 5 GLY CA C 45.114 0.041 1 58 5 5 GLY N N 112.412 0.029 1 59 6 6 PHE H H 8.846 0.013 1 60 6 6 PHE HA H 4.223 0.006 1 61 6 6 PHE HB2 H 3.249 0.002 2 62 6 6 PHE HB3 H 3.099 0.001 2 63 6 6 PHE HD1 H 7.241 0.003 3 64 6 6 PHE HD2 H 7.241 0.003 3 65 6 6 PHE HE1 H 7.203 0.005 3 66 6 6 PHE HE2 H 7.203 0.005 3 67 6 6 PHE HZ H 7.138 0.003 1 68 6 6 PHE C C 177.140 0.200 1 69 6 6 PHE CA C 61.664 0.009 1 70 6 6 PHE CB C 39.478 0.016 1 71 6 6 PHE CD1 C 131.984 0.003 3 72 6 6 PHE CD2 C 131.984 0.003 3 73 6 6 PHE CE1 C 130.949 0.200 3 74 6 6 PHE CE2 C 130.949 0.200 3 75 6 6 PHE CZ C 129.170 0.200 1 76 6 6 PHE N N 121.269 0.033 1 77 7 7 SER H H 8.722 0.018 1 78 7 7 SER HA H 3.919 0.007 1 79 7 7 SER HB2 H 3.929 0.150 2 80 7 7 SER HB3 H 3.796 0.002 2 81 7 7 SER C C 175.580 0.200 1 82 7 7 SER CA C 62.864 0.200 1 83 7 7 SER CB C 62.864 0.200 1 84 7 7 SER N N 114.964 0.040 1 85 8 8 GLU H H 8.103 0.004 1 86 8 8 GLU HA H 3.907 0.003 1 87 8 8 GLU HB2 H 2.329 0.005 2 88 8 8 GLU HB3 H 1.842 0.002 2 89 8 8 GLU C C 177.630 0.200 1 90 8 8 GLU CA C 61.000 0.200 1 91 8 8 GLU CB C 28.744 0.051 1 92 8 8 GLU CG C 34.000 0.200 1 93 8 8 GLU N N 120.549 0.016 1 94 9 9 LEU H H 7.891 0.003 1 95 9 9 LEU HA H 3.920 0.003 1 96 9 9 LEU HB2 H 1.510 0.002 2 97 9 9 LEU HB3 H 1.693 0.003 2 98 9 9 LEU HG H 1.650 0.001 1 99 9 9 LEU HD1 H 0.833 0.003 2 100 9 9 LEU HD2 H 0.909 0.150 2 101 9 9 LEU C C 178.240 0.200 1 102 9 9 LEU CA C 58.060 0.006 1 103 9 9 LEU CB C 41.644 0.001 1 104 9 9 LEU CG C 27.043 0.007 1 105 9 9 LEU CD1 C 24.600 0.200 2 106 9 9 LEU CD2 C 24.631 0.036 2 107 9 9 LEU N N 119.311 0.079 1 108 10 10 LEU H H 8.246 0.003 1 109 10 10 LEU HA H 3.935 0.003 1 110 10 10 LEU HB2 H 1.563 0.007 2 111 10 10 LEU HB3 H 1.745 0.005 2 112 10 10 LEU HG H 1.832 0.150 1 113 10 10 LEU HD1 H 0.847 0.004 2 114 10 10 LEU HD2 H 0.835 0.003 2 115 10 10 LEU C C 178.470 0.200 1 116 10 10 LEU CA C 58.121 0.016 1 117 10 10 LEU CB C 41.530 0.200 1 118 10 10 LEU CD1 C 24.667 0.001 1 119 10 10 LEU CD2 C 24.668 0.001 1 120 10 10 LEU N N 119.049 0.057 1 121 11 11 LEU H H 7.773 0.005 1 122 11 11 LEU HA H 3.985 0.004 1 123 11 11 LEU HB2 H 1.755 0.010 2 124 11 11 LEU HB3 H 1.771 0.001 2 125 11 11 LEU HG H 1.609 0.003 1 126 11 11 LEU HD1 H 0.855 0.150 1 127 11 11 LEU HD2 H 0.854 0.150 1 128 11 11 LEU C C 178.260 0.200 1 129 11 11 LEU CA C 58.563 0.011 1 130 11 11 LEU CB C 41.842 0.022 1 131 11 11 LEU CG C 27.000 0.200 1 132 11 11 LEU N N 118.401 0.034 1 133 12 12 VAL H H 7.994 0.008 1 134 12 12 VAL HA H 3.490 0.004 1 135 12 12 VAL HB H 2.257 0.002 1 136 12 12 VAL HG1 H 0.860 0.002 2 137 12 12 VAL HG2 H 1.039 0.003 2 138 12 12 VAL C C 177.230 0.200 1 139 12 12 VAL CA C 67.220 0.013 1 140 12 12 VAL CB C 31.243 0.200 1 141 12 12 VAL CG1 C 21.719 0.200 2 142 12 12 VAL CG2 C 23.193 0.017 2 143 12 12 VAL N N 118.023 0.038 1 144 13 13 PHE H H 8.309 0.004 1 145 13 13 PHE HA H 4.104 0.002 1 146 13 13 PHE HB2 H 3.253 0.003 2 147 13 13 PHE HB3 H 3.159 0.006 2 148 13 13 PHE HD1 H 7.079 0.003 3 149 13 13 PHE HD2 H 7.079 0.003 3 150 13 13 PHE HE1 H 7.040 0.006 3 151 13 13 PHE HE2 H 7.040 0.006 3 152 13 13 PHE HZ H 6.999 0.002 1 153 13 13 PHE C C 176.750 0.200 1 154 13 13 PHE CA C 61.731 0.012 1 155 13 13 PHE CB C 39.305 0.043 1 156 13 13 PHE CD1 C 131.287 0.031 3 157 13 13 PHE CD2 C 131.287 0.031 3 158 13 13 PHE CE1 C 130.576 0.001 3 159 13 13 PHE CE2 C 130.576 0.001 3 160 13 13 PHE CZ C 128.701 0.200 1 161 13 13 PHE N N 119.885 0.051 1 162 14 14 ILE H H 8.447 0.003 1 163 14 14 ILE HA H 3.483 0.007 1 164 14 14 ILE HB H 2.019 0.001 1 165 14 14 ILE HG12 H 1.153 0.002 2 166 14 14 ILE HG13 H 1.886 0.003 2 167 14 14 ILE HG2 H 0.840 0.001 1 168 14 14 ILE HD1 H 0.797 0.001 1 169 14 14 ILE C C 177.400 0.200 1 170 14 14 ILE CA C 65.528 0.020 1 171 14 14 ILE CB C 37.462 0.200 1 172 14 14 ILE CG1 C 29.434 0.030 1 173 14 14 ILE CG2 C 17.406 0.007 1 174 14 14 ILE CD1 C 12.999 0.011 1 175 14 14 ILE N N 118.930 0.022 1 176 15 15 ILE H H 8.373 0.004 1 177 15 15 ILE HA H 3.495 0.002 1 178 15 15 ILE HB H 1.908 0.001 1 179 15 15 ILE HG12 H 0.976 0.003 2 180 15 15 ILE HG13 H 1.870 0.001 2 181 15 15 ILE HG2 H 0.785 0.002 1 182 15 15 ILE HD1 H 0.763 0.001 1 183 15 15 ILE C C 178.010 0.200 1 184 15 15 ILE CA C 65.761 0.026 1 185 15 15 ILE CB C 37.340 0.200 1 186 15 15 ILE CG1 C 29.573 0.015 1 187 15 15 ILE CG2 C 17.631 0.003 1 188 15 15 ILE CD1 C 13.295 0.008 1 189 15 15 ILE N N 119.304 0.009 1 190 16 16 GLY H H 8.680 0.005 1 191 16 16 GLY HA2 H 3.479 0.004 1 192 16 16 GLY C C 174.660 0.200 1 193 16 16 GLY CA C 47.955 0.016 1 194 16 16 GLY N N 106.846 0.013 1 195 17 17 LEU H H 8.416 0.004 1 196 17 17 LEU HA H 3.712 0.002 1 197 17 17 LEU HB3 H 1.606 0.002 1 198 17 17 LEU HG H 1.516 0.003 1 199 17 17 LEU HD1 H 0.670 0.004 2 200 17 17 LEU HD2 H 0.721 0.002 2 201 17 17 LEU C C 178.020 0.200 1 202 17 17 LEU CA C 58.553 0.006 1 203 17 17 LEU CB C 42.015 0.030 1 204 17 17 LEU CG C 26.622 0.010 1 205 17 17 LEU CD1 C 24.717 0.065 2 206 17 17 LEU CD2 C 24.892 0.021 2 207 17 17 LEU N N 123.076 0.013 1 208 18 18 VAL H H 7.943 0.009 1 209 18 18 VAL HA H 3.627 0.002 1 210 18 18 VAL HB H 2.174 0.003 1 211 18 18 VAL HG1 H 1.005 0.001 2 212 18 18 VAL HG2 H 0.892 0.002 2 213 18 18 VAL C C 176.700 0.200 1 214 18 18 VAL CA C 66.122 0.001 1 215 18 18 VAL CB C 31.800 0.001 1 216 18 18 VAL CG1 C 22.883 0.002 2 217 18 18 VAL CG2 C 21.887 0.013 2 218 18 18 VAL N N 116.823 0.020 1 219 19 19 VAL H H 8.263 0.006 1 220 19 19 VAL HA H 3.807 0.001 1 221 19 19 VAL HB H 2.000 0.005 1 222 19 19 VAL HG1 H 0.907 0.001 2 223 19 19 VAL HG2 H 0.988 0.003 2 224 19 19 VAL C C 177.010 0.200 1 225 19 19 VAL CA C 65.623 0.200 1 226 19 19 VAL CB C 32.507 0.060 1 227 19 19 VAL CG1 C 21.880 0.200 2 228 19 19 VAL CG2 C 22.947 0.015 2 229 19 19 VAL N N 115.935 0.021 1 230 20 20 LEU H H 8.294 0.004 1 231 20 20 LEU HA H 4.392 0.004 1 232 20 20 LEU HB2 H 2.009 0.005 2 233 20 20 LEU HB3 H 1.348 0.008 2 234 20 20 LEU HG H 1.673 0.002 1 235 20 20 LEU HD1 H 0.834 0.003 2 236 20 20 LEU HD2 H 0.789 0.003 2 237 20 20 LEU C C 178.810 0.200 1 238 20 20 LEU CA C 56.222 0.200 1 239 20 20 LEU CB C 43.053 0.023 1 240 20 20 LEU CG C 27.240 0.200 1 241 20 20 LEU CD1 C 23.509 0.002 2 242 20 20 LEU CD2 C 26.154 0.012 2 243 20 20 LEU N N 117.007 0.030 1 244 21 21 GLY H H 7.607 0.005 1 245 21 21 GLY HA2 H 4.209 0.006 2 246 21 21 GLY HA3 H 4.464 0.009 2 247 21 21 GLY C C 172.370 0.200 1 248 21 21 GLY CA C 44.770 0.200 1 249 21 21 GLY N N 107.850 0.009 1 250 22 22 PRO HA H 4.106 0.001 1 251 22 22 PRO HB2 H 2.077 0.003 1 252 22 22 PRO HG2 H 2.215 0.003 2 253 22 22 PRO HG3 H 1.949 0.003 2 254 22 22 PRO HD2 H 4.040 0.003 2 255 22 22 PRO HD3 H 3.548 0.003 2 256 22 22 PRO C C 176.860 0.200 1 257 22 22 PRO CA C 65.320 0.019 1 258 22 22 PRO CB C 32.190 0.200 1 259 22 22 PRO CG C 27.587 0.016 1 260 22 22 PRO CD C 50.075 0.007 1 261 23 23 GLN H H 8.376 0.005 1 262 23 23 GLN HA H 4.219 0.002 1 263 23 23 GLN HB2 H 2.122 0.002 1 264 23 23 GLN HG2 H 2.463 0.002 1 265 23 23 GLN HE21 H 6.908 0.003 1 266 23 23 GLN HE22 H 7.683 0.012 1 267 23 23 GLN C C 178.010 0.200 1 268 23 23 GLN CA C 58.603 0.020 1 269 23 23 GLN CB C 28.644 0.002 1 270 23 23 GLN CG C 34.558 0.023 1 271 23 23 GLN N N 115.222 0.061 1 272 23 23 GLN NE2 N 112.755 0.049 1 273 24 24 ARG H H 7.768 0.003 1 274 24 24 ARG HA H 4.367 0.002 1 275 24 24 ARG HB2 H 1.810 0.150 2 276 24 24 ARG HB3 H 1.890 0.001 2 277 24 24 ARG HG2 H 1.833 0.002 2 278 24 24 ARG HG3 H 1.687 0.003 2 279 24 24 ARG HD2 H 3.275 0.003 2 280 24 24 ARG HD3 H 3.271 0.005 2 281 24 24 ARG HE H 7.565 0.002 1 282 24 24 ARG C C 177.230 0.200 1 283 24 24 ARG CA C 56.644 0.006 1 284 24 24 ARG CB C 31.651 0.012 1 285 24 24 ARG CG C 28.050 0.001 1 286 24 24 ARG CD C 43.610 0.016 1 287 24 24 ARG N N 116.938 0.005 1 288 24 24 ARG NE N 84.932 0.038 1 289 25 25 LEU H H 7.775 0.003 1 290 25 25 LEU HA H 4.193 0.004 1 291 25 25 LEU HB2 H 1.725 0.002 1 292 25 25 LEU HG H 1.644 0.150 1 293 25 25 LEU HD1 H 0.770 0.002 2 294 25 25 LEU HD2 H 0.823 0.005 2 295 25 25 LEU CA C 59.744 0.200 1 296 25 25 LEU CB C 39.884 0.051 1 297 25 25 LEU CG C 27.260 0.200 1 298 25 25 LEU CD1 C 25.435 0.006 2 299 25 25 LEU CD2 C 24.585 0.067 2 300 25 25 LEU N N 120.454 0.028 1 301 26 26 PRO HA H 4.126 0.003 1 302 26 26 PRO HB2 H 1.999 0.004 2 303 26 26 PRO HB3 H 2.254 0.150 2 304 26 26 PRO HG2 H 2.267 0.150 2 305 26 26 PRO HG3 H 1.842 0.002 2 306 26 26 PRO HD2 H 3.654 0.005 2 307 26 26 PRO HD3 H 3.653 0.005 2 308 26 26 PRO C C 178.210 0.200 1 309 26 26 PRO CA C 66.882 0.010 1 310 26 26 PRO CB C 31.135 0.200 1 311 26 26 PRO CG C 29.030 0.200 1 312 26 26 PRO CD C 50.473 0.001 1 313 27 27 VAL H H 6.993 0.004 1 314 27 27 VAL HA H 3.744 0.002 1 315 27 27 VAL HB H 2.175 0.005 1 316 27 27 VAL HG1 H 0.994 0.004 2 317 27 27 VAL HG2 H 1.089 0.001 2 318 27 27 VAL C C 178.710 0.200 1 319 27 27 VAL CA C 65.618 0.007 1 320 27 27 VAL CB C 31.887 0.060 1 321 27 27 VAL CG1 C 21.269 0.012 2 322 27 27 VAL CG2 C 22.437 0.005 2 323 27 27 VAL N N 116.120 0.034 1 324 28 28 ALA H H 8.105 0.002 1 325 28 28 ALA HA H 4.038 0.005 1 326 28 28 ALA HB H 1.448 0.002 1 327 28 28 ALA C C 178.950 0.200 1 328 28 28 ALA CA C 55.500 0.200 1 329 28 28 ALA CB C 18.822 0.012 1 330 28 28 ALA N N 125.627 0.034 1 331 29 29 VAL H H 8.255 0.003 1 332 29 29 VAL HA H 3.455 0.002 1 333 29 29 VAL HB H 2.158 0.001 1 334 29 29 VAL HG1 H 0.941 0.001 2 335 29 29 VAL HG2 H 1.031 0.003 2 336 29 29 VAL C C 177.170 0.200 1 337 29 29 VAL CA C 67.088 0.003 1 338 29 29 VAL CB C 31.740 0.200 1 339 29 29 VAL CG1 C 21.773 0.200 2 340 29 29 VAL CG2 C 23.148 0.041 2 341 29 29 VAL N N 117.111 0.028 1 342 30 30 LYS H H 7.887 0.011 1 343 30 30 LYS HA H 3.897 0.001 1 344 30 30 LYS HB2 H 1.927 0.001 2 345 30 30 LYS HB3 H 1.929 0.003 2 346 30 30 LYS HG2 H 1.634 0.009 2 347 30 30 LYS HG3 H 1.464 0.002 2 348 30 30 LYS HD2 H 1.664 0.150 1 349 30 30 LYS HE2 H 2.951 0.150 1 350 30 30 LYS C C 179.500 0.200 1 351 30 30 LYS CA C 60.000 0.200 1 352 30 30 LYS CB C 32.000 0.200 1 353 30 30 LYS CG C 25.604 0.020 1 354 30 30 LYS CE C 42.136 0.200 1 355 30 30 LYS N N 119.002 0.054 1 356 31 31 THR H H 8.149 0.003 1 357 31 31 THR HA H 3.809 0.003 1 358 31 31 THR HB H 4.127 0.007 1 359 31 31 THR HG2 H 0.777 0.004 1 360 31 31 THR CA C 66.761 0.003 1 361 31 31 THR CB C 68.693 0.005 1 362 31 31 THR CG2 C 21.188 0.007 1 363 31 31 THR N N 118.221 0.065 1 364 32 32 VAL H H 8.093 0.003 1 365 32 32 VAL HA H 3.405 0.006 1 366 32 32 VAL HB H 2.072 0.003 1 367 32 32 VAL HG1 H 0.956 0.004 2 368 32 32 VAL HG2 H 0.976 0.003 2 369 32 32 VAL C C 177.570 0.200 1 370 32 32 VAL CA C 66.759 0.007 1 371 32 32 VAL CB C 31.444 0.007 1 372 32 32 VAL CG1 C 23.380 0.027 2 373 32 32 VAL CG2 C 22.028 0.014 2 374 32 32 VAL N N 121.668 0.033 1 375 33 33 ALA H H 8.594 0.003 1 376 33 33 ALA HA H 4.014 0.004 1 377 33 33 ALA HB H 1.517 0.004 1 378 33 33 ALA C C 180.040 0.200 1 379 33 33 ALA CA C 55.855 0.046 1 380 33 33 ALA CB C 18.300 0.001 1 381 33 33 ALA N N 121.985 0.027 1 382 34 34 GLY H H 7.888 0.003 1 383 34 34 GLY HA2 H 4.061 0.002 2 384 34 34 GLY HA3 H 3.890 0.001 2 385 34 34 GLY C C 177.230 0.200 1 386 34 34 GLY CA C 47.276 0.200 1 387 34 34 GLY N N 105.193 0.032 1 388 35 35 TRP H H 8.068 0.003 1 389 35 35 TRP HA H 4.595 0.004 1 390 35 35 TRP HB2 H 3.157 0.008 2 391 35 35 TRP HB3 H 3.620 0.004 2 392 35 35 TRP HD1 H 7.233 0.002 1 393 35 35 TRP HE1 H 10.505 0.004 1 394 35 35 TRP HE3 H 7.396 0.005 1 395 35 35 TRP HZ2 H 7.420 0.003 1 396 35 35 TRP HZ3 H 6.880 0.004 1 397 35 35 TRP HH2 H 7.026 0.002 1 398 35 35 TRP C C 178.360 0.200 1 399 35 35 TRP CA C 59.390 0.200 1 400 35 35 TRP CB C 29.252 0.038 1 401 35 35 TRP CD1 C 125.416 0.013 1 402 35 35 TRP CE3 C 119.613 0.075 1 403 35 35 TRP CZ2 C 114.887 0.028 1 404 35 35 TRP CZ3 C 120.966 0.200 1 405 35 35 TRP CH2 C 123.816 0.053 1 406 35 35 TRP N N 124.792 0.026 1 407 35 35 TRP NE1 N 129.869 0.029 1 408 36 36 ILE H H 8.549 0.006 1 409 36 36 ILE HA H 3.735 0.003 1 410 36 36 ILE HB H 2.094 0.003 1 411 36 36 ILE HG12 H 1.237 0.003 2 412 36 36 ILE HG13 H 1.897 0.012 2 413 36 36 ILE HG2 H 0.962 0.003 1 414 36 36 ILE HD1 H 0.863 0.003 1 415 36 36 ILE C C 178.080 0.200 1 416 36 36 ILE CA C 65.580 0.031 1 417 36 36 ILE CB C 37.449 0.022 1 418 36 36 ILE CG1 C 29.481 0.013 1 419 36 36 ILE CG2 C 17.530 0.016 1 420 36 36 ILE CD1 C 13.406 0.001 1 421 36 36 ILE N N 119.784 0.014 1 422 37 37 ARG H H 8.258 0.005 1 423 37 37 ARG HA H 4.021 0.004 1 424 37 37 ARG HB2 H 2.008 0.003 1 425 37 37 ARG HG2 H 1.685 0.004 2 426 37 37 ARG HG3 H 1.907 0.003 2 427 37 37 ARG HD2 H 3.224 0.003 1 428 37 37 ARG HE H 7.498 0.002 1 429 37 37 ARG C C 179.390 0.200 1 430 37 37 ARG CA C 60.259 0.017 1 431 37 37 ARG CB C 30.203 0.020 1 432 37 37 ARG CG C 28.038 0.037 1 433 37 37 ARG CD C 43.724 0.077 1 434 37 37 ARG N N 119.567 0.056 1 435 37 37 ARG NE N 85.452 0.101 1 436 38 38 ALA H H 8.027 0.006 1 437 38 38 ALA HA H 4.247 0.004 1 438 38 38 ALA HB H 1.599 0.002 1 439 38 38 ALA C C 180.260 0.200 1 440 38 38 ALA CA C 55.138 0.028 1 441 38 38 ALA CB C 18.543 0.020 1 442 38 38 ALA N N 122.568 0.033 1 443 39 39 LEU H H 8.505 0.004 1 444 39 39 LEU HA H 4.097 0.003 1 445 39 39 LEU HB2 H 1.953 0.002 2 446 39 39 LEU HB3 H 1.720 0.004 2 447 39 39 LEU HG H 1.952 0.001 1 448 39 39 LEU HD1 H 0.945 0.007 1 449 39 39 LEU C C 178.620 0.200 1 450 39 39 LEU CA C 58.335 0.200 1 451 39 39 LEU CB C 41.864 0.200 1 452 39 39 LEU CG C 27.369 0.005 1 453 39 39 LEU CD1 C 24.426 0.200 1 454 39 39 LEU N N 120.266 0.048 1 455 40 40 ARG H H 8.511 0.004 1 456 40 40 ARG HA H 4.034 0.003 1 457 40 40 ARG HB2 H 2.025 0.007 1 458 40 40 ARG HG2 H 1.912 0.003 2 459 40 40 ARG HG3 H 1.686 0.005 2 460 40 40 ARG HD2 H 3.223 0.015 2 461 40 40 ARG HD3 H 3.207 0.004 2 462 40 40 ARG HE H 7.676 0.002 1 463 40 40 ARG C C 179.250 0.200 1 464 40 40 ARG CA C 60.042 0.007 1 465 40 40 ARG CB C 30.183 0.021 1 466 40 40 ARG CG C 28.212 0.051 1 467 40 40 ARG CD C 43.760 0.200 1 468 40 40 ARG N N 119.303 0.043 1 469 40 40 ARG NE N 85.448 0.026 1 470 41 41 SER H H 8.053 0.003 1 471 41 41 SER HA H 4.073 0.002 1 472 41 41 SER HB2 H 4.348 0.001 1 473 41 41 SER C C 177.200 0.200 1 474 41 41 SER CA C 63.101 0.003 1 475 41 41 SER CB C 61.614 0.028 1 476 41 41 SER N N 115.746 0.028 1 477 42 42 LEU H H 8.258 0.002 1 478 42 42 LEU HA H 4.252 0.011 1 479 42 42 LEU HB2 H 1.842 0.002 1 480 42 42 LEU HB3 H 1.842 0.002 1 481 42 42 LEU HG H 1.747 0.001 1 482 42 42 LEU HD1 H 0.932 0.002 1 483 42 42 LEU C C 178.250 0.200 1 484 42 42 LEU CA C 58.569 0.001 1 485 42 42 LEU CB C 42.103 0.012 1 486 42 42 LEU CG C 27.285 0.200 1 487 42 42 LEU CD1 C 25.140 0.006 1 488 42 42 LEU N N 124.115 0.013 1 489 43 43 ALA H H 8.549 0.009 1 490 43 43 ALA HA H 3.948 0.002 1 491 43 43 ALA HB H 1.535 0.004 1 492 43 43 ALA C C 179.570 0.200 1 493 43 43 ALA CA C 55.853 0.008 1 494 43 43 ALA CB C 18.348 0.026 1 495 43 43 ALA N N 121.163 0.014 1 496 44 44 THR H H 8.040 0.004 1 497 44 44 THR HA H 4.008 0.003 1 498 44 44 THR HB H 4.402 0.002 1 499 44 44 THR HG1 H 4.644 0.003 1 500 44 44 THR HG2 H 1.307 0.005 1 501 44 44 THR C C 176.200 0.200 1 502 44 44 THR CA C 66.735 0.021 1 503 44 44 THR CB C 69.010 0.036 1 504 44 44 THR CG2 C 21.980 0.021 1 505 44 44 THR N N 114.598 0.020 1 506 45 45 THR H H 8.080 0.003 1 507 45 45 THR HA H 4.054 0.003 1 508 45 45 THR HB H 4.431 0.004 1 509 45 45 THR HG2 H 1.290 0.003 1 510 45 45 THR C C 176.640 0.200 1 511 45 45 THR CA C 67.002 0.004 1 512 45 45 THR CB C 68.934 0.028 1 513 45 45 THR CG2 C 21.929 0.002 1 514 45 45 THR N N 120.267 0.033 1 515 46 46 VAL H H 8.476 0.003 1 516 46 46 VAL HA H 3.617 0.004 1 517 46 46 VAL HB H 2.195 0.002 1 518 46 46 VAL HG1 H 0.923 0.008 2 519 46 46 VAL HG2 H 1.055 0.003 2 520 46 46 VAL C C 177.500 0.200 1 521 46 46 VAL CA C 67.031 0.072 1 522 46 46 VAL CB C 31.753 0.004 1 523 46 46 VAL CG1 C 21.834 0.020 2 524 46 46 VAL CG2 C 23.126 0.006 2 525 46 46 VAL N N 121.276 0.029 1 526 47 47 GLN H H 8.330 0.005 1 527 47 47 GLN HA H 3.917 0.002 1 528 47 47 GLN HB2 H 2.227 0.004 1 529 47 47 GLN HG2 H 2.357 0.022 2 530 47 47 GLN HG3 H 2.391 0.004 2 531 47 47 GLN HE21 H 6.768 0.006 1 532 47 47 GLN HE22 H 7.234 0.003 1 533 47 47 GLN C C 178.340 0.200 1 534 47 47 GLN CA C 60.098 0.027 1 535 47 47 GLN CB C 28.779 0.010 1 536 47 47 GLN CG C 34.380 0.018 1 537 47 47 GLN N N 119.492 0.028 1 538 47 47 GLN NE2 N 110.009 0.019 1 539 48 48 ASN H H 8.353 0.003 1 540 48 48 ASN HA H 4.528 0.004 1 541 48 48 ASN HB2 H 2.894 0.004 2 542 48 48 ASN HB3 H 3.023 0.003 2 543 48 48 ASN HD21 H 6.877 0.006 1 544 48 48 ASN HD22 H 7.642 0.003 1 545 48 48 ASN C C 177.600 0.200 1 546 48 48 ASN CA C 55.915 0.004 1 547 48 48 ASN CB C 38.465 0.027 1 548 48 48 ASN N N 118.420 0.015 1 549 48 48 ASN ND2 N 112.596 0.029 1 550 49 49 GLU H H 8.243 0.006 1 551 49 49 GLU HA H 4.213 0.002 1 552 49 49 GLU HB2 H 2.182 0.003 2 553 49 49 GLU HB3 H 2.143 0.001 2 554 49 49 GLU HG2 H 2.320 0.150 2 555 49 49 GLU HG3 H 2.349 0.150 2 556 49 49 GLU CA C 58.040 0.001 1 557 49 49 GLU CB C 29.230 0.200 1 558 49 49 GLU CG C 35.000 0.200 1 559 49 49 GLU N N 119.943 0.010 1 560 50 50 LEU H H 8.245 0.004 1 561 50 50 LEU HA H 4.232 0.002 1 562 50 50 LEU HB2 H 1.652 0.150 2 563 50 50 LEU HB3 H 1.605 0.150 2 564 50 50 LEU HG H 1.818 0.150 1 565 50 50 LEU HD1 H 0.875 0.002 2 566 50 50 LEU HD2 H 0.850 0.003 2 567 50 50 LEU C C 177.820 0.200 1 568 50 50 LEU CA C 58.200 0.200 1 569 50 50 LEU CB C 41.940 0.200 1 570 50 50 LEU CG C 27.070 0.200 1 571 50 50 LEU CD1 C 25.527 0.015 2 572 50 50 LEU CD2 C 23.970 0.012 2 573 50 50 LEU N N 118.881 0.026 1 574 51 51 THR H H 7.898 0.010 1 575 51 51 THR HA H 4.095 0.002 1 576 51 51 THR HB H 4.386 0.003 1 577 51 51 THR HG2 H 1.307 0.003 1 578 51 51 THR C C 175.930 0.200 1 579 51 51 THR CA C 65.016 0.011 1 580 51 51 THR CB C 69.295 0.007 1 581 51 51 THR CG2 C 21.930 0.008 1 582 51 51 THR N N 110.946 0.090 1 583 52 52 GLN H H 7.726 0.007 1 584 52 52 GLN HA H 4.259 0.002 1 585 52 52 GLN HB2 H 2.178 0.003 1 586 52 52 GLN HG2 H 2.472 0.004 1 587 52 52 GLN HE21 H 7.424 0.001 1 588 52 52 GLN HE22 H 6.810 0.003 1 589 52 52 GLN C C 177.380 0.200 1 590 52 52 GLN CA C 57.463 0.025 1 591 52 52 GLN CB C 29.239 0.008 1 592 52 52 GLN CG C 33.995 0.007 1 593 52 52 GLN N N 119.707 0.058 1 594 52 52 GLN NE2 N 112.407 0.026 1 595 53 53 GLU H H 8.105 0.003 1 596 53 53 GLU HA H 4.224 0.002 1 597 53 53 GLU HB3 H 2.016 0.002 1 598 53 53 GLU HG2 H 2.429 0.003 2 599 53 53 GLU HG3 H 2.334 0.001 2 600 53 53 GLU C C 177.310 0.200 1 601 53 53 GLU CA C 57.948 0.200 1 602 53 53 GLU CB C 29.262 0.002 1 603 53 53 GLU CG C 34.590 0.006 1 604 53 53 GLU N N 119.482 0.017 1 605 54 54 LEU H H 7.994 0.002 1 606 54 54 LEU HA H 4.213 0.004 1 607 54 54 LEU HB2 H 1.771 0.002 2 608 54 54 LEU HB3 H 1.581 0.002 2 609 54 54 LEU HG H 1.749 0.003 1 610 54 54 LEU HD1 H 0.851 0.003 2 611 54 54 LEU HD2 H 0.891 0.002 2 612 54 54 LEU C C 177.080 0.200 1 613 54 54 LEU CA C 56.203 0.001 1 614 54 54 LEU CB C 42.064 0.200 1 615 54 54 LEU CG C 27.284 0.036 1 616 54 54 LEU CD1 C 24.903 0.200 2 617 54 54 LEU CD2 C 25.436 0.003 2 618 54 54 LEU N N 119.233 0.018 1 619 55 55 LYS H H 7.707 0.002 1 620 55 55 LYS HA H 4.323 0.002 1 621 55 55 LYS HB2 H 1.926 0.150 1 622 55 55 LYS HG2 H 1.458 0.005 2 623 55 55 LYS HG3 H 1.540 0.004 2 624 55 55 LYS HD2 H 1.708 0.005 1 625 55 55 LYS HE2 H 2.982 0.001 1 626 55 55 LYS C C 177.460 0.200 1 627 55 55 LYS CA C 56.621 0.009 1 628 55 55 LYS CB C 32.351 0.200 1 629 55 55 LYS CG C 25.319 0.038 1 630 55 55 LYS CD C 25.263 0.200 1 631 55 55 LYS CE C 42.272 0.200 1 632 55 55 LYS N N 118.746 0.069 1 633 56 56 LEU H H 8.144 0.003 1 634 56 56 LEU HA H 4.245 0.004 1 635 56 56 LEU HB2 H 1.714 0.004 2 636 56 56 LEU HB3 H 1.887 0.005 2 637 56 56 LEU HG H 1.826 0.002 1 638 56 56 LEU HD1 H 0.988 0.002 2 639 56 56 LEU HD2 H 0.925 0.003 2 640 56 56 LEU C C 178.670 0.200 1 641 56 56 LEU CA C 56.862 0.005 1 642 56 56 LEU CB C 41.920 0.039 1 643 56 56 LEU CG C 27.202 0.005 1 644 56 56 LEU CD1 C 25.277 0.002 2 645 56 56 LEU CD2 C 23.874 0.005 2 646 56 56 LEU N N 121.663 0.029 1 647 57 57 GLN H H 8.690 0.013 1 648 57 57 GLN HA H 4.058 0.003 1 649 57 57 GLN HB2 H 2.186 0.002 2 650 57 57 GLN HB3 H 2.093 0.002 2 651 57 57 GLN HG2 H 2.439 0.004 1 652 57 57 GLN HE21 H 7.682 0.007 1 653 57 57 GLN HE22 H 6.797 0.003 1 654 57 57 GLN C C 177.680 0.200 1 655 57 57 GLN CA C 58.744 0.027 1 656 57 57 GLN CB C 28.501 0.005 1 657 57 57 GLN CG C 33.861 0.018 1 658 57 57 GLN N N 121.190 0.067 1 659 57 57 GLN NE2 N 113.454 0.055 1 660 58 58 GLU H H 8.451 0.010 1 661 58 58 GLU HA H 4.238 0.002 1 662 58 58 GLU HB2 H 2.046 0.004 1 663 58 58 GLU HG2 H 2.328 0.002 1 664 58 58 GLU C C 178.640 0.200 1 665 58 58 GLU CA C 58.681 0.004 1 666 58 58 GLU CB C 29.243 0.026 1 667 58 58 GLU CG C 36.245 0.003 1 668 58 58 GLU N N 118.583 0.110 1 669 59 59 PHE H H 7.931 0.007 1 670 59 59 PHE HA H 4.469 0.003 1 671 59 59 PHE HB2 H 3.212 0.002 2 672 59 59 PHE HB3 H 3.304 0.002 2 673 59 59 PHE HD1 H 7.241 0.005 3 674 59 59 PHE HD2 H 7.241 0.005 3 675 59 59 PHE C C 177.150 0.200 1 676 59 59 PHE CA C 60.330 0.001 1 677 59 59 PHE CB C 39.484 0.015 1 678 59 59 PHE CD1 C 131.754 0.002 3 679 59 59 PHE CD2 C 131.754 0.002 3 680 59 59 PHE N N 120.319 0.030 1 681 60 60 GLN H H 8.260 0.005 1 682 60 60 GLN HA H 3.865 0.002 1 683 60 60 GLN HB3 H 2.195 0.002 1 684 60 60 GLN HG2 H 2.400 0.002 2 685 60 60 GLN HG3 H 2.510 0.002 2 686 60 60 GLN HE21 H 7.426 0.008 1 687 60 60 GLN HE22 H 6.815 0.003 1 688 60 60 GLN C C 178.270 0.200 1 689 60 60 GLN CA C 59.785 0.200 1 690 60 60 GLN CB C 28.714 0.043 1 691 60 60 GLN CG C 34.350 0.010 1 692 60 60 GLN N N 119.727 0.016 1 693 60 60 GLN NE2 N 111.074 0.052 1 694 61 61 ASP H H 8.495 0.005 1 695 61 61 ASP HA H 4.460 0.002 1 696 61 61 ASP HB2 H 2.788 0.002 2 697 61 61 ASP HB3 H 2.690 0.003 2 698 61 61 ASP C C 179.030 0.200 1 699 61 61 ASP CA C 57.378 0.001 1 700 61 61 ASP CB C 40.663 0.017 1 701 61 61 ASP N N 119.786 0.105 1 702 62 62 SER H H 7.917 0.014 1 703 62 62 SER HA H 4.222 0.002 1 704 62 62 SER HB2 H 3.833 0.005 2 705 62 62 SER HB3 H 4.001 0.002 2 706 62 62 SER HG H 4.660 0.200 1 707 62 62 SER C C 175.870 0.200 1 708 62 62 SER CA C 62.629 0.016 1 709 62 62 SER CB C 63.139 0.012 1 710 62 62 SER N N 117.292 0.011 1 711 63 63 LEU H H 7.991 0.005 1 712 63 63 LEU HA H 3.984 0.002 1 713 63 63 LEU HB2 H 1.658 0.003 2 714 63 63 LEU HB3 H 1.593 0.001 2 715 63 63 LEU HG H 1.621 0.001 1 716 63 63 LEU HD1 H 0.800 0.003 2 717 63 63 LEU HD2 H 0.833 0.003 2 718 63 63 LEU C C 178.590 0.200 1 719 63 63 LEU CA C 57.685 0.200 1 720 63 63 LEU CB C 41.627 0.011 1 721 63 63 LEU CG C 26.883 0.200 1 722 63 63 LEU CD1 C 24.155 0.014 2 723 63 63 LEU CD2 C 25.410 0.200 2 724 63 63 LEU N N 122.182 0.079 1 725 64 64 LYS H H 7.766 0.003 1 726 64 64 LYS HA H 4.064 0.004 1 727 64 64 LYS HB2 H 1.942 0.001 1 728 64 64 LYS HB3 H 1.943 0.002 1 729 64 64 LYS HG2 H 1.648 0.001 2 730 64 64 LYS HG3 H 1.526 0.150 2 731 64 64 LYS HD2 H 1.740 0.001 2 732 64 64 LYS HD3 H 1.526 0.001 2 733 64 64 LYS HE2 H 2.985 0.003 1 734 64 64 LYS C C 178.630 0.200 1 735 64 64 LYS CA C 58.982 0.003 1 736 64 64 LYS CB C 32.456 0.036 1 737 64 64 LYS CG C 25.441 0.006 1 738 64 64 LYS CD C 29.282 0.008 1 739 64 64 LYS CE C 42.249 0.021 1 740 64 64 LYS N N 118.067 0.018 1 741 65 65 LYS H H 7.588 0.002 1 742 65 65 LYS HA H 4.137 0.002 1 743 65 65 LYS HB2 H 1.952 0.001 2 744 65 65 LYS HB3 H 2.002 0.001 2 745 65 65 LYS HG2 H 1.468 0.003 2 746 65 65 LYS HG3 H 1.703 0.013 2 747 65 65 LYS HD2 H 1.741 0.150 2 748 65 65 LYS HD3 H 1.687 0.150 2 749 65 65 LYS HE2 H 2.996 0.002 1 750 65 65 LYS C C 178.580 0.200 1 751 65 65 LYS CA C 58.703 0.200 1 752 65 65 LYS CB C 32.783 0.006 1 753 65 65 LYS CD C 29.458 0.200 1 754 65 65 LYS CE C 42.226 0.200 1 755 65 65 LYS N N 118.312 0.007 1 756 66 66 VAL H H 7.704 0.004 1 757 66 66 VAL HA H 3.855 0.004 1 758 66 66 VAL HB H 2.256 0.003 1 759 66 66 VAL HG1 H 1.063 0.002 2 760 66 66 VAL HG2 H 0.958 0.003 2 761 66 66 VAL C C 176.880 0.200 1 762 66 66 VAL CA C 64.881 0.005 1 763 66 66 VAL CB C 31.783 0.017 1 764 66 66 VAL CG1 C 22.441 0.024 2 765 66 66 VAL CG2 C 21.733 0.025 2 766 66 66 VAL N N 118.964 0.053 1 767 67 67 GLU H H 8.171 0.002 1 768 67 67 GLU HA H 4.073 0.001 1 769 67 67 GLU HB2 H 2.150 0.006 2 770 67 67 GLU HB3 H 2.145 0.001 2 771 67 67 GLU HG2 H 2.274 0.004 2 772 67 67 GLU HG3 H 2.437 0.002 2 773 67 67 GLU C C 177.320 0.200 1 774 67 67 GLU CA C 58.494 0.001 1 775 67 67 GLU CB C 29.413 0.016 1 776 67 67 GLU CG C 35.122 0.012 1 777 67 67 GLU N N 121.170 0.050 1 778 68 68 LYS H H 7.982 0.003 1 779 68 68 LYS HA H 4.176 0.006 1 780 68 68 LYS HB2 H 1.873 0.002 2 781 68 68 LYS HB3 H 1.955 0.001 2 782 68 68 LYS HG2 H 1.548 0.002 2 783 68 68 LYS HG3 H 1.475 0.001 2 784 68 68 LYS HD2 H 1.705 0.002 1 785 68 68 LYS HE2 H 2.987 0.003 1 786 68 68 LYS C C 177.560 0.200 1 787 68 68 LYS CA C 57.738 0.003 1 788 68 68 LYS CB C 32.634 0.200 1 789 68 68 LYS CG C 25.171 0.002 1 790 68 68 LYS CD C 29.275 0.013 1 791 68 68 LYS CE C 42.271 0.007 1 792 68 68 LYS N N 118.884 0.017 1 793 69 69 ALA H H 7.925 0.015 1 794 69 69 ALA HA H 4.277 0.003 1 795 69 69 ALA HB H 1.476 0.002 1 796 69 69 ALA C C 177.930 0.200 1 797 69 69 ALA CA C 53.542 0.010 1 798 69 69 ALA CB C 19.143 0.021 1 799 69 69 ALA N N 122.564 0.073 1 800 70 70 SER H H 8.071 0.006 1 801 70 70 SER HA H 4.470 0.002 1 802 70 70 SER HB2 H 3.972 0.002 2 803 70 70 SER HB3 H 3.875 0.002 2 804 70 70 SER C C 175.200 0.200 1 805 70 70 SER CA C 59.435 0.005 1 806 70 70 SER CB C 64.014 0.200 1 807 70 70 SER N N 113.723 0.114 1 808 71 71 LEU H H 8.248 0.002 1 809 71 71 LEU HA H 4.266 0.002 1 810 71 71 LEU HB2 H 1.814 0.005 2 811 71 71 LEU HB3 H 1.658 0.002 2 812 71 71 LEU HG H 1.819 0.003 1 813 71 71 LEU HD1 H 0.944 0.004 2 814 71 71 LEU HD2 H 0.887 0.001 2 815 71 71 LEU C C 178.070 0.200 1 816 71 71 LEU CA C 56.579 0.013 1 817 71 71 LEU CB C 42.037 0.200 1 818 71 71 LEU CG C 27.192 0.200 1 819 71 71 LEU CD1 C 25.435 0.026 2 820 71 71 LEU CD2 C 23.812 0.001 2 821 71 71 LEU N N 122.300 0.027 1 822 72 72 THR H H 7.814 0.002 1 823 72 72 THR HA H 4.147 0.002 1 824 72 72 THR HB H 4.241 0.004 1 825 72 72 THR HG1 H 4.655 0.150 1 826 72 72 THR HG2 H 1.246 0.004 1 827 72 72 THR C C 174.960 0.200 1 828 72 72 THR CA C 63.893 0.005 1 829 72 72 THR CB C 69.383 0.069 1 830 72 72 THR CG2 C 21.897 0.003 1 831 72 72 THR N N 111.317 0.009 1 832 73 73 ASN H H 7.964 0.003 1 833 73 73 ASN HA H 4.786 0.003 1 834 73 73 ASN HB2 H 2.905 0.001 2 835 73 73 ASN HB3 H 2.753 0.001 2 836 73 73 ASN HD21 H 7.630 0.003 1 837 73 73 ASN HD22 H 6.925 0.002 1 838 73 73 ASN C C 174.950 0.200 1 839 73 73 ASN CA C 53.710 0.200 1 840 73 73 ASN CB C 39.208 0.008 1 841 73 73 ASN N N 119.029 0.012 1 842 73 73 ASN ND2 N 113.082 0.013 1 843 74 74 LEU H H 7.813 0.002 1 844 74 74 LEU HA H 4.421 0.003 1 845 74 74 LEU HB2 H 1.617 0.002 2 846 74 74 LEU HB3 H 1.780 0.004 2 847 74 74 LEU HG H 1.808 0.005 1 848 74 74 LEU HD1 H 0.940 0.003 2 849 74 74 LEU HD2 H 0.903 0.006 2 850 74 74 LEU C C 176.830 0.200 1 851 74 74 LEU CA C 55.521 0.006 1 852 74 74 LEU CB C 42.778 0.010 1 853 74 74 LEU CG C 27.097 0.007 1 854 74 74 LEU CD1 C 25.691 0.029 2 855 74 74 LEU CD2 C 24.121 0.047 2 856 74 74 LEU N N 120.564 0.016 1 857 75 75 THR H H 7.575 0.004 1 858 75 75 THR HA H 4.483 0.003 1 859 75 75 THR HB H 4.611 0.005 1 860 75 75 THR HG2 H 1.368 0.002 1 861 75 75 THR C C 173.640 0.200 1 862 75 75 THR CA C 62.106 0.200 1 863 75 75 THR CB C 68.800 0.200 1 864 75 75 THR CG2 C 22.477 0.005 1 865 75 75 THR N N 113.965 0.013 1 866 76 76 PRO HA H 4.292 0.002 1 867 76 76 PRO HB2 H 2.411 0.002 2 868 76 76 PRO HB3 H 1.955 0.001 2 869 76 76 PRO HG2 H 2.212 0.001 2 870 76 76 PRO HG3 H 2.049 0.001 2 871 76 76 PRO HD2 H 3.891 0.003 2 872 76 76 PRO HD3 H 3.843 0.003 2 873 76 76 PRO C C 179.260 0.200 1 874 76 76 PRO CA C 65.849 0.001 1 875 76 76 PRO CB C 31.706 0.200 1 876 76 76 PRO CG C 28.047 0.006 1 877 76 76 PRO CD C 50.546 0.023 1 878 77 77 GLU H H 8.660 0.002 1 879 77 77 GLU HA H 4.212 0.002 1 880 77 77 GLU HB2 H 2.031 0.002 2 881 77 77 GLU HB3 H 2.123 0.002 2 882 77 77 GLU HG2 H 2.348 0.001 2 883 77 77 GLU HG3 H 2.449 0.002 2 884 77 77 GLU C C 178.890 0.200 1 885 77 77 GLU CA C 59.407 0.011 1 886 77 77 GLU CB C 28.895 0.064 1 887 77 77 GLU CG C 36.460 0.200 1 888 77 77 GLU N N 118.104 0.001 1 889 78 78 LEU H H 7.911 0.003 1 890 78 78 LEU HA H 4.215 0.002 1 891 78 78 LEU HB2 H 1.668 0.008 2 892 78 78 LEU HB3 H 1.844 0.001 2 893 78 78 LEU HG H 1.755 0.003 1 894 78 78 LEU HD1 H 1.001 0.002 2 895 78 78 LEU HD2 H 0.947 0.004 2 896 78 78 LEU C C 178.640 0.200 1 897 78 78 LEU CA C 57.628 0.066 1 898 78 78 LEU CB C 42.143 0.032 1 899 78 78 LEU CG C 27.342 0.006 1 900 78 78 LEU CD1 C 25.237 0.007 2 901 78 78 LEU CD2 C 24.436 0.008 2 902 78 78 LEU N N 122.544 0.012 1 903 79 79 LYS H H 8.343 0.006 1 904 79 79 LYS HA H 3.928 0.003 1 905 79 79 LYS HB2 H 1.939 0.001 2 906 79 79 LYS HB3 H 1.872 0.004 2 907 79 79 LYS HG2 H 1.411 0.003 2 908 79 79 LYS HG3 H 1.544 0.004 2 909 79 79 LYS HD2 H 1.394 0.150 2 910 79 79 LYS HD3 H 1.700 0.004 2 911 79 79 LYS HE2 H 2.969 0.005 1 912 79 79 LYS C C 178.310 0.200 1 913 79 79 LYS CA C 60.051 0.021 1 914 79 79 LYS CB C 32.371 0.031 1 915 79 79 LYS CG C 25.756 0.020 1 916 79 79 LYS CD C 29.438 0.077 1 917 79 79 LYS CE C 42.300 0.200 1 918 79 79 LYS N N 120.539 0.012 1 919 80 80 ALA H H 8.052 0.003 1 920 80 80 ALA HA H 4.289 0.002 1 921 80 80 ALA HB H 1.537 0.002 1 922 80 80 ALA C C 180.430 0.200 1 923 80 80 ALA CA C 54.824 0.028 1 924 80 80 ALA CB C 18.301 0.008 1 925 80 80 ALA N N 121.282 0.013 1 926 81 81 SER H H 7.910 0.004 1 927 81 81 SER HA H 4.371 0.004 1 928 81 81 SER HB2 H 3.872 0.002 2 929 81 81 SER HB3 H 4.087 0.002 2 930 81 81 SER HG H 4.676 0.150 1 931 81 81 SER C C 175.970 0.200 1 932 81 81 SER CA C 62.150 0.200 1 933 81 81 SER CB C 63.558 0.006 1 934 81 81 SER N N 115.616 0.014 1 935 82 82 MET H H 8.327 0.003 1 936 82 82 MET HA H 4.221 0.006 1 937 82 82 MET HB2 H 2.246 0.002 2 938 82 82 MET HB3 H 2.160 0.001 2 939 82 82 MET HG2 H 2.570 0.005 2 940 82 82 MET HG3 H 2.685 0.002 2 941 82 82 MET HE H 2.030 0.003 1 942 82 82 MET C C 178.210 0.200 1 943 82 82 MET CA C 58.680 0.005 1 944 82 82 MET CB C 32.310 0.200 1 945 82 82 MET CG C 32.895 0.015 1 946 82 82 MET CE C 17.593 0.002 1 947 82 82 MET N N 121.722 0.010 1 948 83 83 ASP H H 8.386 0.002 1 949 83 83 ASP HA H 4.487 0.003 1 950 83 83 ASP HB2 H 2.841 0.002 2 951 83 83 ASP HB3 H 2.712 0.004 2 952 83 83 ASP C C 179.020 0.200 1 953 83 83 ASP CA C 57.803 0.005 1 954 83 83 ASP CB C 40.637 0.012 1 955 83 83 ASP N N 120.639 0.010 1 956 84 84 GLU H H 7.973 0.004 1 957 84 84 GLU HA H 4.118 0.002 1 958 84 84 GLU HB2 H 2.144 0.002 2 959 84 84 GLU HB3 H 2.287 0.007 2 960 84 84 GLU HG2 H 2.517 0.002 2 961 84 84 GLU HG3 H 2.404 0.002 2 962 84 84 GLU C C 179.530 0.200 1 963 84 84 GLU CA C 59.261 0.009 1 964 84 84 GLU CB C 28.997 0.015 1 965 84 84 GLU CG C 35.301 0.200 1 966 84 84 GLU N N 120.363 0.012 1 967 85 85 LEU H H 8.103 0.006 1 968 85 85 LEU HA H 4.101 0.002 1 969 85 85 LEU HB2 H 1.719 0.002 2 970 85 85 LEU HB3 H 1.929 0.003 2 971 85 85 LEU HG H 1.826 0.003 1 972 85 85 LEU HD1 H 0.901 0.005 1 973 85 85 LEU C C 178.300 0.200 1 974 85 85 LEU CA C 58.317 0.038 1 975 85 85 LEU CB C 41.839 0.007 1 976 85 85 LEU CG C 27.114 0.012 1 977 85 85 LEU CD1 C 24.381 0.200 1 978 85 85 LEU N N 121.607 0.040 1 979 86 86 ARG H H 8.429 0.002 1 980 86 86 ARG HA H 3.899 0.004 1 981 86 86 ARG HB2 H 1.972 0.006 2 982 86 86 ARG HB3 H 2.151 0.004 2 983 86 86 ARG HG2 H 1.662 0.003 2 984 86 86 ARG HG3 H 1.786 0.002 2 985 86 86 ARG HD2 H 3.281 0.002 1 986 86 86 ARG HE H 7.636 0.004 1 987 86 86 ARG C C 178.760 0.200 1 988 86 86 ARG CA C 60.253 0.077 1 989 86 86 ARG CB C 29.816 0.200 1 990 86 86 ARG CG C 27.839 0.001 1 991 86 86 ARG CD C 43.615 0.016 1 992 86 86 ARG N N 119.778 0.014 1 993 86 86 ARG NE N 84.707 0.153 1 994 87 87 GLN H H 8.144 0.002 1 995 87 87 GLN HA H 4.100 0.004 1 996 87 87 GLN HB2 H 2.190 0.003 1 997 87 87 GLN HG2 H 2.561 0.003 2 998 87 87 GLN HG3 H 2.429 0.004 2 999 87 87 GLN HE21 H 7.361 0.003 1 1000 87 87 GLN HE22 H 6.801 0.150 1 1001 87 87 GLN C C 179.060 0.200 1 1002 87 87 GLN CA C 59.032 0.001 1 1003 87 87 GLN CB C 28.823 0.014 1 1004 87 87 GLN CG C 34.350 0.200 1 1005 87 87 GLN N N 118.564 0.022 1 1006 87 87 GLN NE2 N 112.324 0.008 1 1007 88 88 ALA H H 8.181 0.001 1 1008 88 88 ALA HA H 4.214 0.002 1 1009 88 88 ALA HB H 1.567 0.003 1 1010 88 88 ALA C C 179.900 0.200 1 1011 88 88 ALA CA C 55.217 0.022 1 1012 88 88 ALA CB C 18.241 0.015 1 1013 88 88 ALA N N 123.905 0.016 1 1014 89 89 ALA H H 8.447 0.003 1 1015 89 89 ALA HA H 4.028 0.003 1 1016 89 89 ALA HB H 1.517 0.003 1 1017 89 89 ALA C C 179.370 0.200 1 1018 89 89 ALA CA C 55.463 0.044 1 1019 89 89 ALA CB C 18.368 0.004 1 1020 89 89 ALA N N 121.323 0.007 1 1021 90 90 GLU H H 8.255 0.003 1 1022 90 90 GLU HA H 4.029 0.002 1 1023 90 90 GLU HB2 H 2.160 0.003 2 1024 90 90 GLU HB3 H 2.160 0.002 2 1025 90 90 GLU HG2 H 2.351 0.002 2 1026 90 90 GLU HG3 H 2.461 0.001 2 1027 90 90 GLU C C 179.170 0.200 1 1028 90 90 GLU CA C 59.519 0.024 1 1029 90 90 GLU CB C 29.242 0.200 1 1030 90 90 GLU CG C 36.203 0.013 1 1031 90 90 GLU N N 118.200 0.032 1 1032 91 91 SER H H 8.097 0.002 1 1033 91 91 SER HA H 4.251 0.002 1 1034 91 91 SER HB3 H 4.028 0.001 1 1035 91 91 SER HG H 4.664 0.150 1 1036 91 91 SER C C 176.970 0.200 1 1037 91 91 SER CA C 61.559 0.001 1 1038 91 91 SER CB C 63.185 0.013 1 1039 91 91 SER N N 115.490 0.012 1 1040 92 92 MET H H 8.089 0.003 1 1041 92 92 MET HA H 4.291 0.002 1 1042 92 92 MET HB2 H 2.123 0.004 2 1043 92 92 MET HB3 H 2.261 0.003 2 1044 92 92 MET HG2 H 2.599 0.002 2 1045 92 92 MET HG3 H 2.711 0.004 2 1046 92 92 MET HE H 2.043 0.002 1 1047 92 92 MET C C 177.760 0.200 1 1048 92 92 MET CA C 58.300 0.013 1 1049 92 92 MET CB C 32.885 0.023 1 1050 92 92 MET CG C 32.879 0.007 1 1051 92 92 MET CE C 17.594 0.200 1 1052 92 92 MET N N 121.542 0.003 1 1053 93 93 LYS H H 8.142 0.006 1 1054 93 93 LYS HA H 4.027 0.006 1 1055 93 93 LYS HB2 H 1.891 0.001 2 1056 93 93 LYS HB3 H 2.030 0.003 2 1057 93 93 LYS HG2 H 1.718 0.004 2 1058 93 93 LYS HD2 H 1.711 0.002 1 1059 93 93 LYS HD3 H 1.973 0.002 1 1060 93 93 LYS HE2 H 2.934 0.002 1 1061 93 93 LYS C C 177.800 0.200 1 1062 93 93 LYS CA C 59.560 0.025 1 1063 93 93 LYS CB C 32.505 0.019 1 1064 93 93 LYS CG C 25.355 0.039 1 1065 93 93 LYS CD C 29.509 0.200 1 1066 93 93 LYS CE C 42.092 0.013 1 1067 93 93 LYS N N 120.242 0.035 1 1068 94 94 ARG H H 8.015 0.003 1 1069 94 94 ARG HA H 4.178 0.006 1 1070 94 94 ARG HB3 H 1.938 0.002 1 1071 94 94 ARG HG2 H 1.683 0.004 2 1072 94 94 ARG HG3 H 1.818 0.001 2 1073 94 94 ARG HD2 H 3.237 0.002 1 1074 94 94 ARG HE H 7.418 0.001 1 1075 94 94 ARG C C 177.920 0.200 1 1076 94 94 ARG CA C 58.502 0.042 1 1077 94 94 ARG CB C 30.454 0.200 1 1078 94 94 ARG CG C 27.785 0.004 1 1079 94 94 ARG CD C 43.646 0.200 1 1080 94 94 ARG N N 118.481 0.020 1 1081 94 94 ARG NE N 85.469 0.080 1 1082 95 95 SER H H 7.919 0.003 1 1083 95 95 SER HA H 4.334 0.002 1 1084 95 95 SER HB2 H 3.804 0.002 2 1085 95 95 SER HB3 H 3.897 0.004 2 1086 95 95 SER HG H 4.642 0.150 1 1087 95 95 SER C C 174.880 0.200 1 1088 95 95 SER CA C 60.493 0.003 1 1089 95 95 SER CB C 63.662 0.008 1 1090 95 95 SER N N 114.728 0.006 1 1091 96 96 TYR H H 7.970 0.003 1 1092 96 96 TYR HA H 4.461 0.003 1 1093 96 96 TYR HB2 H 2.975 0.003 2 1094 96 96 TYR HB3 H 3.129 0.002 2 1095 96 96 TYR HD1 H 7.095 0.002 3 1096 96 96 TYR HD2 H 7.095 0.002 3 1097 96 96 TYR HE1 H 6.785 0.004 3 1098 96 96 TYR HE2 H 6.785 0.004 3 1099 96 96 TYR C C 175.900 0.200 1 1100 96 96 TYR CA C 59.753 0.016 1 1101 96 96 TYR CB C 39.541 0.012 1 1102 96 96 TYR CD1 C 133.176 0.015 3 1103 96 96 TYR CD2 C 133.176 0.015 3 1104 96 96 TYR CE1 C 118.154 0.200 3 1105 96 96 TYR CE2 C 118.154 0.200 3 1106 96 96 TYR N N 121.108 0.043 1 1107 97 97 VAL H H 7.842 0.003 1 1108 97 97 VAL HA H 4.046 0.003 1 1109 97 97 VAL HB H 2.169 0.002 1 1110 97 97 VAL HG1 H 0.972 0.004 2 1111 97 97 VAL HG2 H 0.994 0.001 2 1112 97 97 VAL C C 175.800 0.200 1 1113 97 97 VAL CA C 62.701 0.003 1 1114 97 97 VAL CB C 32.684 0.031 1 1115 97 97 VAL CG1 C 21.614 0.014 2 1116 97 97 VAL CG2 C 21.098 0.021 2 1117 97 97 VAL N N 118.577 0.014 1 1118 98 98 ALA H H 8.020 0.002 1 1119 98 98 ALA HA H 4.276 0.003 1 1120 98 98 ALA HB H 1.406 0.003 1 1121 98 98 ALA C C 177.310 0.200 1 1122 98 98 ALA CA C 52.777 0.200 1 1123 98 98 ALA CB C 19.366 0.031 1 1124 98 98 ALA N N 125.717 0.056 1 1125 99 99 ASN H H 8.141 0.005 1 1126 99 99 ASN HA H 4.660 0.005 1 1127 99 99 ASN HB2 H 2.766 0.002 2 1128 99 99 ASN HB3 H 2.681 0.002 2 1129 99 99 ASN HD21 H 7.554 0.002 1 1130 99 99 ASN HD22 H 6.851 0.002 1 1131 99 99 ASN C C 174.410 0.200 1 1132 99 99 ASN CA C 53.330 0.200 1 1133 99 99 ASN CB C 39.475 0.200 1 1134 99 99 ASN N N 118.083 0.026 1 1135 99 99 ASN ND2 N 113.303 0.009 1 1136 100 100 ASP H H 8.183 0.002 1 1137 100 100 ASP HA H 4.831 0.002 1 1138 100 100 ASP HB2 H 2.565 0.002 2 1139 100 100 ASP HB3 H 2.788 0.004 2 1140 100 100 ASP C C 175.200 0.200 1 1141 100 100 ASP CA C 52.278 0.200 1 1142 100 100 ASP CB C 41.563 0.020 1 1143 100 100 ASP N N 122.254 0.018 1 1144 101 101 PRO HA H 4.386 0.002 1 1145 101 101 PRO HB2 H 2.301 0.002 2 1146 101 101 PRO HB3 H 1.928 0.150 2 1147 101 101 PRO HG2 H 1.949 0.002 2 1148 101 101 PRO HG3 H 2.015 0.001 2 1149 101 101 PRO HD2 H 3.832 0.003 1 1150 101 101 PRO C C 177.300 0.200 1 1151 101 101 PRO CA C 63.900 0.200 1 1152 101 101 PRO CB C 32.194 0.022 1 1153 101 101 PRO CG C 27.231 0.011 1 1154 101 101 PRO CD C 50.855 0.010 1 1155 102 102 LEU H H 8.247 0.002 1 1156 102 102 LEU HA H 4.216 0.001 1 1157 102 102 LEU HB2 H 1.491 0.003 2 1158 102 102 LEU HB3 H 1.670 0.002 2 1159 102 102 LEU HG H 1.587 0.002 1 1160 102 102 LEU HD1 H 0.833 0.001 2 1161 102 102 LEU HD2 H 0.831 0.004 2 1162 102 102 LEU C C 177.600 0.200 1 1163 102 102 LEU CA C 55.449 0.011 1 1164 102 102 LEU CB C 41.671 0.034 1 1165 102 102 LEU CG C 27.219 0.200 1 1166 102 102 LEU CD1 C 23.483 0.200 2 1167 102 102 LEU CD2 C 24.917 0.015 2 1168 102 102 LEU N N 120.426 0.024 1 1169 103 103 GLU H H 7.883 0.008 1 1170 103 103 GLU HA H 4.105 0.001 1 1171 103 103 GLU HB2 H 1.940 0.002 1 1172 103 103 GLU HG2 H 2.142 0.002 2 1173 103 103 GLU HG3 H 2.195 0.001 2 1174 103 103 GLU C C 176.500 0.200 1 1175 103 103 GLU CA C 57.005 0.056 1 1176 103 103 GLU CB C 30.057 0.007 1 1177 103 103 GLU CG C 36.000 0.200 1 1178 103 103 GLU N N 120.456 0.028 1 1179 104 104 HIS H H 8.233 0.150 1 1180 104 104 HIS HA H 4.670 0.150 1 1181 104 104 HIS HB2 H 3.220 0.150 1 1182 104 104 HIS CA C 55.810 0.200 1 1183 104 104 HIS CB C 29.860 0.200 1 1184 104 104 HIS N N 119.200 0.200 1 1185 105 105 HIS H H 8.191 0.008 1 1186 105 105 HIS HA H 4.652 0.150 1 1187 105 105 HIS HB2 H 3.155 0.150 1 1188 105 105 HIS N N 125.883 0.019 1 stop_ save_