data_16248 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; PknB-phosphorylated Rv1827 ; _BMRB_accession_number 16248 _BMRB_flat_file_name bmr16248.str _Entry_type original _Submission_date 2009-04-08 _Accession_date 2009-04-08 _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 Smerdon Stephen J. . 2 Nott Timothy J. . 3 Kelly Geoff . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 845 "13C chemical shifts" 643 "15N chemical shifts" 176 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-28 update BMRB 'edit entity/assembly name' 2009-05-20 original author 'original release' stop_ _Original_release_date 2009-04-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; An intramolecular switch regulates phosphoindependent FHA domain interactions in Mycobacterium tuberculosis ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19318624 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nott Timothy J. . 2 Kelly Geoff . . 3 Stach Lasse . . 4 Li Jiejin . . 5 Westcott Sarah . . 6 Patel Dony . . 7 Hunt Debbie M. . 8 Howell Stephen . . 9 Buxton Roger S. . 10 O'Hare Helen M . 11 Smerdon Stephen J. . stop_ _Journal_abbreviation 'Sci. Signal' _Journal_volume 2 _Journal_issue 63 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2009 _Details . loop_ _Keyword 'FHA domain' 'Mycobacterium tuberculosis' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PknB-phosphorylated Rv1827' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PknB-phosphorylated Rv1827' $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'PknB-phosphorylated Rv1827' _Molecular_mass 17280.926 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 167 _Mol_residue_sequence ; GPLGSVTDMNPDIEKDQTSD EVTVETXSVFRADFLSELDA PAQAGTESAVSGVEGLPPGS ALLVVKRGPNAGSRFLLDQA ITSAGRHPDSDIFLDDVTVS RRHAEFRLENNEFNVVDVGS LNGTYVNREPVDSAVLANGD EVQIGKFRLVFLTGPKQGED DGSTGGP ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 LEU 4 GLY 5 SER 6 VAL 7 THR 8 ASP 9 MET 10 ASN 11 PRO 12 ASP 13 ILE 14 GLU 15 LYS 16 ASP 17 GLN 18 THR 19 SER 20 ASP 21 GLU 22 VAL 23 THR 24 VAL 25 GLU 26 THR 27 TPO 28 SER 29 VAL 30 PHE 31 ARG 32 ALA 33 ASP 34 PHE 35 LEU 36 SER 37 GLU 38 LEU 39 ASP 40 ALA 41 PRO 42 ALA 43 GLN 44 ALA 45 GLY 46 THR 47 GLU 48 SER 49 ALA 50 VAL 51 SER 52 GLY 53 VAL 54 GLU 55 GLY 56 LEU 57 PRO 58 PRO 59 GLY 60 SER 61 ALA 62 LEU 63 LEU 64 VAL 65 VAL 66 LYS 67 ARG 68 GLY 69 PRO 70 ASN 71 ALA 72 GLY 73 SER 74 ARG 75 PHE 76 LEU 77 LEU 78 ASP 79 GLN 80 ALA 81 ILE 82 THR 83 SER 84 ALA 85 GLY 86 ARG 87 HIS 88 PRO 89 ASP 90 SER 91 ASP 92 ILE 93 PHE 94 LEU 95 ASP 96 ASP 97 VAL 98 THR 99 VAL 100 SER 101 ARG 102 ARG 103 HIS 104 ALA 105 GLU 106 PHE 107 ARG 108 LEU 109 GLU 110 ASN 111 ASN 112 GLU 113 PHE 114 ASN 115 VAL 116 VAL 117 ASP 118 VAL 119 GLY 120 SER 121 LEU 122 ASN 123 GLY 124 THR 125 TYR 126 VAL 127 ASN 128 ARG 129 GLU 130 PRO 131 VAL 132 ASP 133 SER 134 ALA 135 VAL 136 LEU 137 ALA 138 ASN 139 GLY 140 ASP 141 GLU 142 VAL 143 GLN 144 ILE 145 GLY 146 LYS 147 PHE 148 ARG 149 LEU 150 VAL 151 PHE 152 LEU 153 THR 154 GLY 155 PRO 156 LYS 157 GLN 158 GLY 159 GLU 160 ASP 161 ASP 162 GLY 163 SER 164 THR 165 GLY 166 GLY 167 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_TPO _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common PHOSPHOTHREONINE _BMRB_code . _PDB_code TPO _Standard_residue_derivative . _Molecular_mass 199.099 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 20:49:55 2008 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? CB CB C . 0 . ? CG2 CG2 C . 0 . ? OG1 OG1 O . 0 . ? P P P . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? O3P O3P O . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? H H H . 0 . ? H2 H2 H . 0 . ? HA HA H . 0 . ? HB HB H . 0 . ? HG21 HG21 H . 0 . ? HG22 HG22 H . 0 . ? HG23 HG23 H . 0 . ? HOP2 HOP2 H . 0 . ? HOP3 HOP3 H . 0 . ? HXT HXT H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N H ? ? SING N H2 ? ? SING CA CB ? ? SING CA C ? ? SING CA HA ? ? SING CB CG2 ? ? SING CB OG1 ? ? SING CB HB ? ? SING CG2 HG21 ? ? SING CG2 HG22 ? ? SING CG2 HG23 ? ? SING OG1 P ? ? DOUB P O1P ? ? SING P O2P ? ? SING P O3P ? ? SING O2P HOP2 ? ? SING O3P HOP3 ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $entity 'Mycobacterium tuberculosis' 1773 Eubacteria . Mycobacterium tuberculosis H37Rv 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 'recombinant technology' . Escherichia coli 'BL21 (DE3)' pGEX-6P1 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling 'sodium acetate' 20 mM . . 'natural abundance' 'sodium chloride' 50 mM . . 'natural abundance' $entity . mM 0.3 1.0 '[U-99% 13C; U-99% 15N]' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling 'sodium acetate' 20 mM . . 'natural abundance' 'sodium chloride' 50 mM . . 'natural abundance' $entity . mM 0.3 1.0 '[U-99% 13C; U-99% 15N]' D2O 100 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ARIA_1.2 _Saveframe_category software _Name ARIA_1.2 _Version . loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _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_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _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 pH 5.8 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.8 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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_chemical_shift_set _Saveframe_category assigned_chemical_shifts _Details ; Derived from the file: /dms/home/tnott/ARIA/FHA_PHT_LOOP_NOE/run557/data/15N/15N.ppm and the amino acid numbering of the Rv1827 chemical shifts includes the N-terminal tag (amino acids GPLGS) used for purification of the construct. ; loop_ _Experiment_label '3D HNCACB' '3D HNCO' '3D HCCH-TOCSY' 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 'PknB-phosphorylated Rv1827' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 PRO C C 176.982 0.0 1 2 3 3 LEU N N 122.457 0.0 1 3 3 3 LEU H H 8.482 0.0 1 4 3 3 LEU C C 177.883 0.0 1 5 4 4 GLY N N 110.018 0.0 1 6 4 4 GLY H H 8.364 0.0 1 7 4 4 GLY CA C 45.106 0.0 1 8 4 4 GLY HA2 H 3.944 0.0 1 9 4 4 GLY HA3 H 3.944 0.0 2 10 4 4 GLY C C 174.027 0.0 1 11 5 5 SER N N 115.73 0.0 1 12 5 5 SER H H 8.134 0.0 1 13 5 5 SER CA C 58.039 0.0 1 14 5 5 SER HA H 4.473 0.0 1 15 5 5 SER CB C 63.665 0.0 1 16 5 5 SER HB2 H 3.814 0.0 2 17 5 5 SER HB3 H 3.804 0.0 2 18 5 5 SER C C 174.818 0.0 1 19 6 6 VAL N N 121.661 0.0 1 20 6 6 VAL H H 8.226 0.0 1 21 6 6 VAL CA C 61.696 0.0 1 22 6 6 VAL HA H 4.14 0.0 1 23 6 6 VAL CB C 32.447 0.0 1 24 6 6 VAL HB H 2.018 0.0 1 25 6 6 VAL HG1 H 0.83 0.0 2 26 6 6 VAL HG2 H 0.83 0.0 2 27 6 6 VAL CG1 C 21.476 0.0 2 28 6 6 VAL CG2 C 21.476 0.0 2 29 6 6 VAL C C 176.479 0.0 1 30 7 7 THR N N 116.618 0.0 1 31 7 7 THR H H 8.096 0.0 1 32 7 7 THR CA C 61.696 0.0 1 33 7 7 THR HA H 4.319 0.0 1 34 7 7 THR CB C 69.572 0.0 1 35 7 7 THR HB H 4.206 0.0 1 36 7 7 THR HG2 H 1.128 0.0 1 37 7 7 THR CG2 C 21.476 0.0 1 38 7 7 THR C C 174.214 0.0 1 39 8 8 ASP N N 122.731 0.0 1 40 8 8 ASP H H 8.148 0.0 1 41 8 8 ASP CA C 54.101 0.0 1 42 8 8 ASP HA H 4.537 0.0 1 43 8 8 ASP CB C 41.167 0.0 1 44 8 8 ASP HB2 H 2.671 0.0 2 45 8 8 ASP HB3 H 2.523 0.0 2 46 8 8 ASP C C 175.91 0.0 1 47 9 9 MET N N 120.264 0.0 1 48 9 9 MET H H 8.152 0.0 1 49 9 9 MET C C 175.626 0.0 1 50 10 10 ASN N N 120.986 0.0 1 51 10 10 ASN H H 8.399 0.0 1 52 10 10 ASN CA C 51.288 0.0 1 53 10 10 ASN HA H 4.913 0.0 1 54 10 10 ASN CB C 38.917 0.0 1 55 10 10 ASN HB2 H 2.807 0.0 2 56 10 10 ASN HB3 H 2.649 0.0 2 57 10 10 ASN C C 176.04 0.0 1 58 12 12 ASP N N 122.7 0.0 1 59 12 12 ASP H H 8.164 0.0 1 60 12 12 ASP CA C 54.510 0.0 1 61 12 12 ASP HA H 4.58 0.0 1 62 12 12 ASP CB C 41.167 0.0 1 63 12 12 ASP HB2 H 2.667 0.0 2 64 12 12 ASP HB3 H 2.612 0.0 2 65 13 13 ILE N N 120.029 0.0 1 66 13 13 ILE H H 7.721 0.0 1 67 13 13 ILE CA C 61.415 0.0 1 68 13 13 ILE HA H 4.1 0.0 1 69 13 13 ILE CB C 38.749 0.0 1 70 13 13 ILE HB H 1.833 0.0 1 71 13 13 ILE HG2 H 0.856 0.0 1 72 13 13 ILE CG2 C 13.037 0.0 1 73 13 13 ILE CG1 C 27.024 0.0 1 74 13 13 ILE HG12 H 1.377 0.0 2 75 13 13 ILE HG13 H 1.163 0.0 2 76 13 13 ILE HD1 H 0.856 0.0 1 77 13 13 ILE CD1 C 17.644 0.0 1 78 13 13 ILE C C 176.251 0.0 1 79 14 14 GLU N N 124.266 0.0 1 80 14 14 GLU H H 8.311 0.0 1 81 14 14 GLU CA C 56.351 0.0 1 82 14 14 GLU HA H 4.238 0.0 1 83 14 14 GLU CB C 29.955 0.0 1 84 14 14 GLU HB2 H 1.987 0.0 2 85 14 14 GLU HB3 H 1.937 0.0 2 86 14 14 GLU CG C 36.104 0.0 1 87 14 14 GLU HG2 H 2.205 0.0 2 88 14 14 GLU HG3 H 2.205 0.0 2 89 14 14 GLU C C 176.203 0.0 1 90 15 15 LYS N N 122.307 0.0 1 91 15 15 LYS H H 8.149 0.0 1 92 15 15 LYS CA C 56.329 0.0 1 93 15 15 LYS CB C 32.886 0.0 1 94 15 15 LYS HB2 H 1.785 0.0 2 95 15 15 LYS HB3 H 1.706 0.0 2 96 15 15 LYS CG C 24.852 0.0 1 97 15 15 LYS HG2 H 1.5 0.0 2 98 15 15 LYS HG3 H 1.451 0.0 2 99 15 15 LYS CD C 29.072 0.0 1 100 15 15 LYS HD2 H 1.658 0.0 2 101 15 15 LYS HD3 H 1.658 0.0 2 102 15 15 LYS CE C 42.011 0.0 1 103 15 15 LYS HE2 H 3.009 0.0 2 104 15 15 LYS HE3 H 3.009 0.0 2 105 15 15 LYS C C 176.284 0.0 1 106 16 16 ASP N N 121.564 0.0 1 107 16 16 ASP H H 8.319 0.0 1 108 16 16 ASP CA C 54.382 0.0 1 109 16 16 ASP HA H 4.526 0.0 1 110 16 16 ASP CB C 41.167 0.0 1 111 16 16 ASP HB2 H 2.741 0.0 2 112 16 16 ASP HB3 H 2.741 0.0 2 113 16 16 ASP C C 176.219 0.0 1 114 17 17 GLN N N 121.118 0.0 1 115 17 17 GLN H H 8.334 0.0 1 116 17 17 GLN CA C 55.507 0.0 1 117 17 17 GLN HA H 4.383 0.0 1 118 17 17 GLN CB C 29.353 0.0 1 119 17 17 GLN HB2 H 2.128 0.0 2 120 17 17 GLN HB3 H 1.94 0.0 2 121 17 17 GLN CG C 33.854 0.0 1 122 17 17 GLN HG2 H 2.328 0.0 2 123 17 17 GLN HG3 H 2.328 0.0 2 124 17 17 GLN C C 176.284 0.0 1 125 18 18 THR N N 115.284 0.0 1 126 18 18 THR H H 8.263 0.0 1 127 18 18 THR CA C 61.696 0.0 1 128 18 18 THR HA H 4.362 0.0 1 129 18 18 THR CB C 69.572 0.0 1 130 18 18 THR HB H 4.266 0.0 1 131 18 18 THR HG2 H 1.149 0.0 1 132 18 18 THR CG2 C 21.476 0.0 1 133 18 18 THR C C 174.677 0.0 1 134 19 19 SER N N 117.969 0.0 1 135 19 19 SER H H 8.29 0.0 1 136 19 19 SER CA C 58.039 0.0 1 137 19 19 SER HA H 4.43 0.0 1 138 19 19 SER CB C 63.665 0.0 1 139 19 19 SER HB2 H 3.891 0.0 2 140 19 19 SER HB3 H 3.81 0.0 2 141 19 19 SER C C 174.877 0.0 1 142 20 20 ASP N N 122.693 0.0 1 143 20 20 ASP H H 8.314 0.0 1 144 20 20 ASP CA C 53.819 0.0 1 145 20 20 ASP HA H 4.594 0.0 1 146 20 20 ASP CB C 40.886 0.0 1 147 20 20 ASP HB2 H 2.676 0.0 2 148 20 20 ASP HB3 H 2.589 0.0 2 149 20 20 ASP C C 176.176 0.0 1 150 21 21 GLU N N 121.056 0.0 1 151 21 21 GLU H H 8.227 0.0 1 152 21 21 GLU CA C 56.351 0.0 1 153 21 21 GLU HA H 4.255 0.0 1 154 21 21 GLU CB C 30.197 0.0 1 155 21 21 GLU HB2 H 1.992 0.0 2 156 21 21 GLU HB3 H 1.883 0.0 2 157 21 21 GLU CG C 36.104 0.0 1 158 21 21 GLU HG2 H 2.224 0.0 2 159 21 21 GLU HG3 H 2.206 0.0 2 160 21 21 GLU C C 176.376 0.0 1 161 22 22 VAL N N 121.837 0.0 1 162 22 22 VAL H H 8.15 0.0 1 163 22 22 VAL CA C 61.696 0.0 1 164 22 22 VAL HA H 4.134 0.0 1 165 22 22 VAL CB C 33.01 0.0 1 166 22 22 VAL HB H 1.996 0.0 1 167 22 22 VAL HG1 H 0.894 0.0 2 168 22 22 VAL HG2 H 0.894 0.0 2 169 22 22 VAL CG1 C 21.476 0.0 2 170 22 22 VAL CG2 C 21.476 0.0 2 171 22 22 VAL C C 176.316 0.0 1 172 23 23 THR N N 119.502 0.0 1 173 23 23 THR H H 8.294 0.0 1 174 23 23 THR CA C 61.696 0.0 1 175 23 23 THR HA H 4.32 0.0 1 176 23 23 THR CB C 69.572 0.0 1 177 23 23 THR HB H 4.11 0.0 1 178 23 23 THR HG2 H 1.143 0.0 1 179 23 23 THR CG2 C 21.476 0.0 1 180 23 23 THR C C 174.311 0.0 1 181 24 24 VAL N N 123.124 0.0 1 182 24 24 VAL H H 8.16 0.0 1 183 24 24 VAL CA C 61.696 0.0 1 184 24 24 VAL HA H 4.127 0.0 1 185 24 24 VAL CB C 33.01 0.0 1 186 24 24 VAL HB H 2.029 0.0 1 187 24 24 VAL HG1 H 0.885 0.0 2 188 24 24 VAL HG2 H 0.885 0.0 2 189 24 24 VAL CG1 C 21.476 0.0 2 190 24 24 VAL CG2 C 21.476 0.0 2 191 24 24 VAL C C 175.732 0.0 1 192 25 25 GLU N N 124.394 0.0 1 193 25 25 GLU H H 8.493 0.0 1 194 25 25 GLU C C 176.576 0.0 1 195 26 26 THR N N 117.718 0.0 1 196 26 26 THR H H 8.042 0.0 1 197 26 26 THR CA C 62.785 0.0 1 198 26 26 THR HA H 4.062 0.0 1 199 26 26 THR CB C 69.234 0.0 1 200 26 26 THR HB H 4.038 0.0 1 201 26 26 THR HG2 H 1.337 0.0 1 202 26 26 THR CG2 C 22.334 0.0 1 203 26 26 THR C C 172.891 0.0 1 204 27 27 TPO N N 124.552 0.0 1 205 27 27 TPO H H 9.772 0.0 1 206 27 27 TPO CA C 63.371 0.0 1 207 27 27 TPO HA H 4.302 0.0 1 208 27 27 TPO CB C 72.165 0.0 1 209 27 27 TPO HB H 4.25 0.0 1 210 27 27 TPO HG21 H 1.403 0.0 1 211 27 27 TPO HG22 H 1.403 0.0 1 212 27 27 TPO HG23 H 1.403 0.0 1 213 27 27 TPO CG2 C 21.747 0.0 1 214 27 27 TPO C C 173.451 0.0 1 215 28 28 SER N N 122.189 0.0 1 216 28 28 SER H H 8.357 0.0 1 217 28 28 SER CA C 57.509 0.0 1 218 28 28 SER HA H 4.531 0.0 1 219 28 28 SER CB C 65.13 0.0 1 220 28 28 SER HB2 H 3.605 0.0 2 221 28 28 SER HB3 H 3.485 0.0 2 222 28 28 SER C C 174.068 0.0 1 223 29 29 VAL N N 124.875 0.0 1 224 29 29 VAL H H 8.38 0.0 1 225 29 29 VAL CA C 63.371 0.0 1 226 29 29 VAL HA H 4.191 0.0 1 227 29 29 VAL CB C 32.3 0.0 1 228 29 29 VAL HB H 1.944 0.0 1 229 29 29 VAL HG1 H 1.052 0.0 2 230 29 29 VAL HG2 H 0.913 0.0 2 231 29 29 VAL CG1 C 22.334 0.0 2 232 29 29 VAL CG2 C 21.161 0.0 2 233 29 29 VAL C C 175.878 0.0 1 234 30 30 PHE N N 126.984 0.0 1 235 30 30 PHE H H 8.498 0.0 1 236 30 30 PHE CA C 57.509 0.0 1 237 30 30 PHE HA H 4.567 0.0 1 238 30 30 PHE CB C 42.266 0.0 1 239 30 30 PHE HB2 H 3.056 0.0 2 240 30 30 PHE HB3 H 2.75 0.0 2 241 30 30 PHE CD1 C 131.745 0.0 3 242 30 30 PHE HD1 H 7.021 0.0 3 243 30 30 PHE CE1 C 132.307 0.0 3 244 30 30 PHE HE1 H 6.889 0.0 3 245 30 30 PHE CE2 C 132.307 0.0 3 246 30 30 PHE HE2 H 6.889 0.0 3 247 30 30 PHE CD2 C 131.745 0.0 3 248 30 30 PHE HD2 H 7.021 0.0 3 249 30 30 PHE C C 172.997 0.0 1 250 31 31 ARG N N 127.844 0.0 1 251 31 31 ARG H H 7.815 0.0 1 252 31 31 ARG CA C 58.095 0.0 1 253 31 31 ARG HA H 2.993 0.0 1 254 31 31 ARG CB C 26.77 0.0 1 255 31 31 ARG HB2 H 2.087 0.0 2 256 31 31 ARG HB3 H 1.383 0.0 2 257 31 31 ARG CG C 27.61 0.0 1 258 31 31 ARG HG2 H 1.215 0.0 2 259 31 31 ARG HG3 H 0.882 0.0 2 260 31 31 ARG CD C 43.439 0.0 1 261 31 31 ARG HD2 H 2.912 0.0 2 262 31 31 ARG HD3 H 2.839 0.0 2 263 31 31 ARG NE N 115.926 0.0 1 264 31 31 ARG HE H 7.153 0.0 1 265 31 31 ARG C C 174.198 0.0 1 266 32 32 ALA N N 126.56 0.0 1 267 32 32 ALA H H 7.841 0.0 1 268 32 32 ALA CA C 52.232 0.0 1 269 32 32 ALA HA H 3.479 0.0 1 270 32 32 ALA HB H 0.574 0.0 1 271 32 32 ALA CB C 18.23 0.0 1 272 32 32 ALA C C 176.52 0.0 1 273 33 33 ASP N N 119.784 0.0 1 274 33 33 ASP H H 7.924 0.0 1 275 33 33 ASP CA C 52.819 0.0 1 276 33 33 ASP HA H 4.368 0.0 1 277 33 33 ASP CB C 40.507 0.0 1 278 33 33 ASP HB2 H 2.57 0.0 2 279 33 33 ASP HB3 H 2.414 0.0 2 280 33 33 ASP C C 176.6 0.0 1 281 34 34 PHE N N 121.013 0.0 1 282 34 34 PHE H H 7.966 0.0 1 283 34 34 PHE CA C 58.681 0.0 1 284 34 34 PHE HA H 4.418 0.0 1 285 34 34 PHE CB C 38.749 0.0 1 286 34 34 PHE HB2 H 3.092 0.0 2 287 34 34 PHE HB3 H 2.81 0.0 2 288 34 34 PHE CD1 C 131.745 0.0 3 289 34 34 PHE HD1 H 6.996 0.0 3 290 34 34 PHE CE1 C 131.745 0.0 3 291 34 34 PHE HE1 H 6.909 0.0 3 292 34 34 PHE CZ C 129.164 0.0 1 293 34 34 PHE HZ H 6.454 0.0 1 294 34 34 PHE CE2 C 131.745 0.0 3 295 34 34 PHE HE2 H 6.909 0.0 3 296 34 34 PHE CD2 C 131.745 0.0 3 297 34 34 PHE HD2 H 6.996 0.0 3 298 34 34 PHE C C 176.535 0.0 1 299 35 35 LEU N N 120.138 0.0 1 300 35 35 LEU H H 7.954 0.0 1 301 35 35 LEU CA C 55.164 0.0 1 302 35 35 LEU HA H 4.318 0.0 1 303 35 35 LEU CB C 42.266 0.0 1 304 35 35 LEU HB2 H 1.671 0.0 2 305 35 35 LEU HB3 H 1.493 0.0 2 306 35 35 LEU CG C 26.437 0.0 1 307 35 35 LEU HG H 1.623 0.0 1 308 35 35 LEU HD1 H 0.89 0.0 2 309 35 35 LEU HD2 H 0.86 0.0 2 310 35 35 LEU CD1 C 24.092 0.0 2 311 35 35 LEU CD2 C 23.506 0.0 2 312 35 35 LEU C C 178.11 0.0 1 313 36 36 SER N N 114.928 0.0 1 314 36 36 SER H H 7.858 0.0 1 315 36 36 SER CA C 59.267 0.0 1 316 36 36 SER HA H 4.304 0.0 1 317 36 36 SER CB C 63.371 0.0 1 318 36 36 SER HB2 H 3.808 0.0 2 319 36 36 SER HB3 H 3.796 0.0 2 320 36 36 SER C C 174.985 0.0 1 321 37 37 GLU N N 121.986 0.0 1 322 37 37 GLU H H 8.022 0.0 1 323 37 37 GLU CA C 56.336 0.0 1 324 37 37 GLU HA H 4.235 0.0 1 325 37 37 GLU CB C 30.541 0.0 1 326 37 37 GLU HB2 H 2.024 0.0 2 327 37 37 GLU HB3 H 1.887 0.0 2 328 37 37 GLU CG C 35.817 0.0 1 329 37 37 GLU HG2 H 2.23 0.0 2 330 37 37 GLU HG3 H 2.226 0.0 2 331 37 37 GLU C C 176.617 0.0 1 332 38 38 LEU N N 121.776 0.0 1 333 38 38 LEU H H 7.955 0.0 1 334 38 38 LEU CA C 55.164 0.0 1 335 38 38 LEU HA H 4.184 0.0 1 336 38 38 LEU CB C 42.266 0.0 1 337 38 38 LEU HB2 H 1.618 0.0 2 338 38 38 LEU HB3 H 1.49 0.0 2 339 38 38 LEU CG C 26.437 0.0 1 340 38 38 LEU HG H 1.559 0.0 1 341 38 38 LEU HD1 H 0.845 0.0 2 342 38 38 LEU HD2 H 0.783 0.0 2 343 38 38 LEU CD1 C 24.679 0.0 2 344 38 38 LEU CD2 C 23.506 0.0 2 345 38 38 LEU C C 177.234 0.0 1 346 39 39 ASP N N 119.741 0.0 1 347 39 39 ASP H H 8.056 0.0 1 348 39 39 ASP CA C 53.991 0.0 1 349 39 39 ASP HA H 4.547 0.0 1 350 39 39 ASP CB C 40.507 0.0 1 351 39 39 ASP HB2 H 2.678 0.0 2 352 39 39 ASP HB3 H 2.59 0.0 2 353 39 39 ASP C C 175.375 0.0 1 354 40 40 ALA N N 124.841 0.0 1 355 40 40 ALA H H 7.859 0.0 1 356 40 40 ALA CA C 50.474 0.0 1 357 40 40 ALA HA H 4.503 0.0 1 358 40 40 ALA HB H 1.306 0.0 1 359 40 40 ALA CB C 18.23 0.0 1 360 40 40 ALA C C 175.326 0.0 1 361 41 41 PRO CD C 50.474 0.0 1 362 41 41 PRO CA C 63.371 0.0 1 363 41 41 PRO HA H 4.363 0.0 1 364 41 41 PRO CB C 31.714 0.0 1 365 41 41 PRO HB2 H 2.256 0.0 2 366 41 41 PRO HB3 H 1.849 0.0 2 367 41 41 PRO CG C 27.024 0.0 1 368 41 41 PRO HG2 H 1.961 0.0 2 369 41 41 PRO HG3 H 1.957 0.0 2 370 41 41 PRO HD2 H 3.732 0.0 2 371 41 41 PRO HD3 H 3.575 0.0 2 372 41 41 PRO C C 176.82 0.0 1 373 42 42 ALA N N 123.924 0.0 1 374 42 42 ALA H H 8.351 0.0 1 375 42 42 ALA CA C 52.819 0.0 1 376 42 42 ALA HA H 4.288 0.0 1 377 42 42 ALA HB H 1.362 0.0 1 378 42 42 ALA CB C 18.816 0.0 1 379 42 42 ALA C C 177.858 0.0 1 380 43 43 GLN N N 119.428 0.0 1 381 43 43 GLN H H 8.262 0.0 1 382 43 43 GLN CA C 55.75 0.0 1 383 43 43 GLN HA H 4.276 0.0 1 384 43 43 GLN CB C 29.369 0.0 1 385 43 43 GLN HB2 H 2.056 0.0 2 386 43 43 GLN HB3 H 1.941 0.0 2 387 43 43 GLN CG C 34.059 0.0 1 388 43 43 GLN HG2 H 2.336 0.0 2 389 43 43 GLN HG3 H 2.332 0.0 2 390 43 43 GLN NE2 N 112.527 0.0 1 391 43 43 GLN HE21 H 7.482 0.0 2 392 43 43 GLN HE22 H 6.788 0.0 2 393 43 43 GLN C C 175.821 0.0 1 394 44 44 ALA N N 125.678 0.0 1 395 44 44 ALA H H 8.356 0.0 1 396 44 44 ALA CA C 52.819 0.0 1 397 44 44 ALA HA H 4.265 0.0 1 398 44 44 ALA HB H 1.34 0.0 1 399 44 44 ALA CB C 19.402 0.0 1 400 44 44 ALA C C 178.248 0.0 1 401 45 45 GLY N N 108.575 0.0 1 402 45 45 GLY H H 8.468 0.0 1 403 45 45 GLY CA C 45.197 0.0 1 404 45 45 GLY HA2 H 4.019 0.0 1 405 45 45 GLY HA3 H 3.878 0.0 2 406 45 45 GLY C C 174.75 0.0 1 407 46 46 THR N N 112.79 0.0 1 408 46 46 THR H H 7.949 0.0 1 409 46 46 THR CA C 61.612 0.0 1 410 46 46 THR HA H 4.315 0.0 1 411 46 46 THR CB C 69.82 0.0 1 412 46 46 THR HB H 4.113 0.0 1 413 46 46 THR HG2 H 1.141 0.0 1 414 46 46 THR CG2 C 21.161 0.0 1 415 46 46 THR C C 174.945 0.0 1 416 47 47 GLU N N 123.138 0.0 1 417 47 47 GLU H H 8.559 0.0 1 418 47 47 GLU CA C 56.336 0.0 1 419 47 47 GLU HA H 4.293 0.0 1 420 47 47 GLU CB C 29.955 0.0 1 421 47 47 GLU HB2 H 2.023 0.0 2 422 47 47 GLU HB3 H 1.893 0.0 2 423 47 47 GLU CG C 36.404 0.0 1 424 47 47 GLU HG2 H 2.236 0.0 2 425 47 47 GLU HG3 H 2.231 0.0 2 426 47 47 GLU C C 176.698 0.0 1 427 48 48 SER N N 116.704 0.0 1 428 48 48 SER H H 8.263 0.0 1 429 48 48 SER CA C 58.681 0.0 1 430 48 48 SER HA H 4.368 0.0 1 431 48 48 SER CB C 63.957 0.0 1 432 48 48 SER HB2 H 3.807 0.0 2 433 48 48 SER HB3 H 3.805 0.0 2 434 48 48 SER C C 174.401 0.0 1 435 49 49 ALA N N 125.804 0.0 1 436 49 49 ALA H H 8.212 0.0 1 437 49 49 ALA CA C 52.819 0.0 1 438 49 49 ALA HA H 4.298 0.0 1 439 49 49 ALA HB H 1.376 0.0 1 440 49 49 ALA CB C 19.402 0.0 1 441 49 49 ALA C C 177.712 0.0 1 442 50 50 VAL N N 117.914 0.0 1 443 50 50 VAL H H 7.941 0.0 1 444 50 50 VAL CA C 62.199 0.0 1 445 50 50 VAL HA H 3.985 0.0 1 446 50 50 VAL CB C 32.3 0.0 1 447 50 50 VAL HB H 2.015 0.0 1 448 50 50 VAL HG1 H 0.742 0.0 2 449 50 50 VAL HG2 H 0.738 0.0 2 450 50 50 VAL CG1 C 21.161 0.0 2 451 50 50 VAL CG2 C 21.161 0.0 2 452 50 50 VAL C C 176.04 0.0 1 453 51 51 SER N N 119.18 0.0 1 454 51 51 SER H H 8.208 0.0 1 455 51 51 SER CA C 58.681 0.0 1 456 51 51 SER HA H 4.446 0.0 1 457 51 51 SER CB C 62.785 0.0 1 458 51 51 SER HB2 H 3.855 0.0 2 459 51 51 SER HB3 H 3.852 0.0 2 460 51 51 SER C C 174.798 0.0 1 461 52 52 GLY N N 110.018 0.0 1 462 52 52 GLY H H 8.364 0.0 1 463 52 52 GLY CA C 45.197 0.0 1 464 52 52 GLY HA2 H 3.951 0.0 1 465 52 52 GLY HA3 H 3.95 0.0 2 466 52 52 GLY C C 174.523 0.0 1 467 53 53 VAL N N 117.231 0.0 1 468 53 53 VAL H H 7.817 0.0 1 469 53 53 VAL CA C 62.199 0.0 1 470 53 53 VAL HA H 4.09 0.0 1 471 53 53 VAL CB C 32.3 0.0 1 472 53 53 VAL HB H 2.035 0.0 1 473 53 53 VAL HG1 H 0.866 0.0 2 474 53 53 VAL HG2 H 0.859 0.0 2 475 53 53 VAL CG1 C 21.161 0.0 2 476 53 53 VAL CG2 C 21.161 0.0 2 477 53 53 VAL C C 175.935 0.0 1 478 54 54 GLU N N 122.81 0.0 1 479 54 54 GLU H H 8.503 0.0 1 480 54 54 GLU CA C 57.509 0.0 1 481 54 54 GLU HA H 4.118 0.0 1 482 54 54 GLU CB C 29.369 0.0 1 483 54 54 GLU HB2 H 1.97 0.0 2 484 54 54 GLU HB3 H 1.885 0.0 2 485 54 54 GLU CG C 35.817 0.0 1 486 54 54 GLU HG2 H 2.225 0.0 2 487 54 54 GLU HG3 H 2.222 0.0 2 488 54 54 GLU C C 177.006 0.0 1 489 55 55 GLY N N 109.043 0.0 1 490 55 55 GLY H H 8.283 0.0 1 491 55 55 GLY CA C 45.197 0.0 1 492 55 55 GLY HA2 H 3.938 0.0 1 493 55 55 GLY HA3 H 3.937 0.0 2 494 55 55 GLY C C 174.328 0.0 1 495 56 56 LEU N N 122.901 0.0 1 496 56 56 LEU H H 7.563 0.0 1 497 56 56 LEU CA C 52.819 0.0 1 498 56 56 LEU HA H 4.424 0.0 1 499 56 56 LEU CB C 41.68 0.0 1 500 56 56 LEU HB2 H 1.451 0.0 2 501 56 56 LEU HB3 H 1.375 0.0 2 502 56 56 LEU CG C 26.437 0.0 1 503 56 56 LEU HG H 1.507 0.0 1 504 56 56 LEU HD1 H 0.636 0.0 2 505 56 56 LEU HD2 H 0.602 0.0 2 506 56 56 LEU CD1 C 23.506 0.0 2 507 56 56 LEU CD2 C 25.265 0.0 2 508 56 56 LEU C C 174.855 0.0 1 509 57 57 PRO CD C 44.488 0.0 1 510 57 57 PRO HD2 H 4.177 0.0 2 511 57 57 PRO HD3 H 3.743 0.0 2 512 58 58 PRO CD C 50.474 0.0 1 513 58 58 PRO CA C 63.957 0.0 1 514 58 58 PRO HA H 4.364 0.0 1 515 58 58 PRO CB C 31.714 0.0 1 516 58 58 PRO HB2 H 2.215 0.0 2 517 58 58 PRO HB3 H 1.816 0.0 2 518 58 58 PRO CG C 28.196 0.0 1 519 58 58 PRO HG2 H 2.115 0.0 2 520 58 58 PRO HG3 H 1.95 0.0 2 521 58 58 PRO HD2 H 3.865 0.0 2 522 58 58 PRO HD3 H 3.562 0.0 2 523 58 58 PRO C C 178.037 0.0 1 524 59 59 GLY N N 112.268 0.0 1 525 59 59 GLY H H 8.906 0.0 1 526 59 59 GLY CA C 45.197 0.0 1 527 59 59 GLY HA2 H 4.145 0.0 1 528 59 59 GLY HA3 H 3.737 0.0 2 529 59 59 GLY C C 173.613 0.0 1 530 60 60 SER N N 113.752 0.0 1 531 60 60 SER H H 7.579 0.0 1 532 60 60 SER CA C 57.509 0.0 1 533 60 60 SER HA H 5.227 0.0 1 534 60 60 SER CB C 66.302 0.0 1 535 60 60 SER HB2 H 3.851 0.0 2 536 60 60 SER HB3 H 3.753 0.0 2 537 60 60 SER C C 172.842 0.0 1 538 61 61 ALA N N 122.467 0.0 1 539 61 61 ALA H H 8.477 0.0 1 540 61 61 ALA CA C 51.646 0.0 1 541 61 61 ALA HA H 4.464 0.0 1 542 61 61 ALA HB H 0.592 0.0 1 543 61 61 ALA CB C 24.092 0.0 1 544 61 61 ALA C C 173.76 0.0 1 545 62 62 LEU N N 119.971 0.0 1 546 62 62 LEU H H 8.695 0.0 1 547 62 62 LEU CA C 53.405 0.0 1 548 62 62 LEU HA H 4.966 0.0 1 549 62 62 LEU CB C 47.542 0.0 1 550 62 62 LEU HB2 H 1.359 0.0 2 551 62 62 LEU HB3 H 1.207 0.0 2 552 62 62 LEU CG C 25.265 0.0 1 553 62 62 LEU HG H 0.638 0.0 1 554 62 62 LEU HD1 H 0.628 0.0 2 555 62 62 LEU HD2 H 0.619 0.0 2 556 62 62 LEU CD1 C 25.265 0.0 2 557 62 62 LEU CD2 C 25.265 0.0 2 558 62 62 LEU C C 174.676 0.0 1 559 63 63 LEU N N 120.336 0.0 1 560 63 63 LEU H H 8.597 0.0 1 561 63 63 LEU CA C 52.819 0.0 1 562 63 63 LEU HA H 5.441 0.0 1 563 63 63 LEU CB C 45.784 0.0 1 564 63 63 LEU HB2 H 1.632 0.0 2 565 63 63 LEU HB3 H 1.194 0.0 2 566 63 63 LEU CG C 25.851 0.0 1 567 63 63 LEU HG H 1.299 0.0 1 568 63 63 LEU HD1 H 0.666 0.0 2 569 63 63 LEU HD2 H -0.06 0.0 2 570 63 63 LEU CD1 C 23.506 0.0 2 571 63 63 LEU CD2 C 26.437 0.0 2 572 63 63 LEU C C 176.26 0.0 1 573 64 64 VAL N N 121.135 0.0 1 574 64 64 VAL H H 8.902 0.0 1 575 64 64 VAL CA C 59.854 0.0 1 576 64 64 VAL HA H 4.83 0.0 1 577 64 64 VAL CB C 34.645 0.0 1 578 64 64 VAL HB H 1.806 0.0 1 579 64 64 VAL HG1 H 0.758 0.0 2 580 64 64 VAL HG2 H 0.743 0.0 2 581 64 64 VAL CG1 C 21.747 0.0 2 582 64 64 VAL CG2 C 21.747 0.0 2 583 64 64 VAL C C 176.544 0.0 1 584 65 65 VAL N N 125.495 0.0 1 585 65 65 VAL H H 8.771 0.0 1 586 65 65 VAL CA C 63.957 0.0 1 587 65 65 VAL HA H 4.118 0.0 1 588 65 65 VAL CB C 31.714 0.0 1 589 65 65 VAL HB H 2.163 0.0 1 590 65 65 VAL HG1 H 0.996 0.0 2 591 65 65 VAL HG2 H 0.988 0.0 2 592 65 65 VAL CG1 C 21.747 0.0 2 593 65 65 VAL CG2 C 21.161 0.0 2 594 65 65 VAL C C 175.821 0.0 1 595 66 66 LYS N N 132.689 0.0 1 596 66 66 LYS H H 9.423 0.0 1 597 66 66 LYS CA C 56.922 0.0 1 598 66 66 LYS HA H 4.438 0.0 1 599 66 66 LYS CB C 34.645 0.0 1 600 66 66 LYS HB2 H 1.74 0.0 2 601 66 66 LYS HB3 H 1.668 0.0 2 602 66 66 LYS CG C 27.024 0.0 1 603 66 66 LYS HG2 H 1.572 0.0 2 604 66 66 LYS HG3 H 1.571 0.0 2 605 66 66 LYS CD C 25.265 0.0 1 606 66 66 LYS HD2 H 1.516 0.0 2 607 66 66 LYS HD3 H 1.368 0.0 2 608 66 66 LYS CE C 41.68 0.0 1 609 66 66 LYS HE2 H 2.871 0.0 2 610 66 66 LYS HE3 H 2.863 0.0 2 611 66 66 LYS C C 176.17 0.0 1 612 67 67 ARG N N 116.766 0.0 1 613 67 67 ARG H H 7.986 0.0 1 614 67 67 ARG CA C 54.722 0.0 1 615 67 67 ARG HA H 4.082 0.0 1 616 67 67 ARG CB C 34.003 0.0 1 617 67 67 ARG CG C 26.77 0.0 1 618 67 67 ARG HG2 H 1.434 0.0 2 619 67 67 ARG HG3 H 1.358 0.0 2 620 67 67 ARG CD C 42.801 0.0 1 621 67 67 ARG HD2 H 3.074 0.0 2 622 67 67 ARG HD3 H 3.074 0.0 2 623 67 67 ARG C C 173.394 0.0 1 624 68 68 GLY N N 110.58 0.0 1 625 68 68 GLY H H 8.331 0.0 1 626 68 68 GLY CA C 43.363 0.0 1 627 68 68 GLY HA2 H 4.175 0.0 1 628 68 68 GLY HA3 H 3.429 0.0 2 629 68 68 GLY C C 171.446 0.0 1 630 69 69 PRO CD C 48.129 0.0 1 631 69 69 PRO CA C 63.957 0.0 1 632 69 69 PRO HA H 4.187 0.0 1 633 69 69 PRO CB C 31.127 0.0 1 634 69 69 PRO HB2 H 2.235 0.0 2 635 69 69 PRO HB3 H 1.846 0.0 2 636 69 69 PRO CG C 27.024 0.0 1 637 69 69 PRO HG2 H 1.781 0.0 2 638 69 69 PRO HG3 H 1.678 0.0 2 639 69 69 PRO HD2 H 2.872 0.0 2 640 69 69 PRO HD3 H 2.316 0.0 2 641 69 69 PRO C C 175.683 0.0 1 642 70 70 ASN N N 114.476 0.0 1 643 70 70 ASN H H 8.218 0.0 1 644 70 70 ASN CA C 52.232 0.0 1 645 70 70 ASN HA H 4.588 0.0 1 646 70 70 ASN CB C 36.99 0.0 1 647 70 70 ASN HB2 H 3.095 0.0 2 648 70 70 ASN HB3 H 2.831 0.0 2 649 70 70 ASN ND2 N 108.399 0.0 1 650 70 70 ASN HD21 H 7.659 0.0 2 651 70 70 ASN HD22 H 6.1 0.0 2 652 70 70 ASN C C 176.495 0.0 1 653 71 71 ALA N N 121.776 0.0 1 654 71 71 ALA H H 7.417 0.0 1 655 71 71 ALA CA C 53.991 0.0 1 656 71 71 ALA HA H 3.655 0.0 1 657 71 71 ALA HB H 1.332 0.0 1 658 71 71 ALA CB C 17.644 0.0 1 659 71 71 ALA C C 177.948 0.0 1 660 72 72 GLY N N 111.888 0.0 1 661 72 72 GLY H H 9.114 0.0 1 662 72 72 GLY CA C 44.611 0.0 1 663 72 72 GLY HA2 H 4.451 0.0 1 664 72 72 GLY HA3 H 3.43 0.0 2 665 72 72 GLY C C 175.018 0.0 1 666 73 73 SER N N 117.392 0.0 1 667 73 73 SER H H 7.995 0.0 1 668 73 73 SER CA C 60.44 0.0 1 669 73 73 SER HA H 4.233 0.0 1 670 73 73 SER CB C 63.957 0.0 1 671 73 73 SER HB2 H 3.74 0.0 2 672 73 73 SER HB3 H 3.572 0.0 2 673 73 73 SER C C 171.324 0.0 1 674 74 74 ARG N N 119.174 0.0 1 675 74 74 ARG H H 8.031 0.0 1 676 74 74 ARG CA C 53.991 0.0 1 677 74 74 ARG HA H 5.135 0.0 1 678 74 74 ARG CB C 34.059 0.0 1 679 74 74 ARG HB2 H 1.554 0.0 2 680 74 74 ARG HB3 H 1.549 0.0 2 681 74 74 ARG CG C 27.024 0.0 1 682 74 74 ARG HG2 H 1.562 0.0 2 683 74 74 ARG HG3 H 1.434 0.0 2 684 74 74 ARG CD C 44.025 0.0 1 685 74 74 ARG HD2 H 3.109 0.0 2 686 74 74 ARG HD3 H 3.013 0.0 2 687 74 74 ARG NE N 113.984 0.0 1 688 74 74 ARG HE H 7.096 0.0 1 689 74 74 ARG C C 174.758 0.0 1 690 75 75 PHE N N 120.819 0.0 1 691 75 75 PHE H H 9.127 0.0 1 692 75 75 PHE CA C 56.922 0.0 1 693 75 75 PHE HA H 5.422 0.0 1 694 75 75 PHE CB C 41.094 0.0 1 695 75 75 PHE HB2 H 3.022 0.0 2 696 75 75 PHE HB3 H 2.778 0.0 2 697 75 75 PHE CD1 C 132.026 0.0 3 698 75 75 PHE HD1 H 6.901 0.0 3 699 75 75 PHE CE1 C 132.026 0.0 3 700 75 75 PHE HE1 H 7.014 0.0 3 701 75 75 PHE CE2 C 132.026 0.0 3 702 75 75 PHE HE2 H 7.014 0.0 3 703 75 75 PHE CD2 C 132.026 0.0 3 704 75 75 PHE HD2 H 6.901 0.0 3 705 75 75 PHE C C 173.735 0.0 1 706 76 76 LEU N N 125.701 0.0 1 707 76 76 LEU H H 8.587 0.0 1 708 76 76 LEU CA C 54.577 0.0 1 709 76 76 LEU HA H 4.486 0.0 1 710 76 76 LEU CB C 43.439 0.0 1 711 76 76 LEU HB2 H 1.681 0.0 2 712 76 76 LEU HB3 H 1.385 0.0 2 713 76 76 LEU CG C 27.61 0.0 1 714 76 76 LEU HG H 1.392 0.0 1 715 76 76 LEU HD1 H 0.841 0.0 2 716 76 76 LEU HD2 H 0.846 0.0 2 717 76 76 LEU CD1 C 25.265 0.0 2 718 76 76 LEU CD2 C 24.092 0.0 2 719 76 76 LEU C C 176.235 0.0 1 720 77 77 LEU N N 127.128 0.0 1 721 77 77 LEU H H 8.829 0.0 1 722 77 77 LEU CA C 52.819 0.0 1 723 77 77 LEU HA H 4.797 0.0 1 724 77 77 LEU CB C 41.68 0.0 1 725 77 77 LEU HB2 H 1.379 0.0 2 726 77 77 LEU HB3 H 1.224 0.0 2 727 77 77 LEU CG C 26.437 0.0 1 728 77 77 LEU HG H 1.217 0.0 1 729 77 77 LEU HD1 H 0.552 0.0 2 730 77 77 LEU HD2 H 0.322 0.0 2 731 77 77 LEU CD1 C 23.506 0.0 2 732 77 77 LEU CD2 C 24.679 0.0 2 733 77 77 LEU C C 175.115 0.0 1 734 78 78 ASP N N 120.758 0.0 1 735 78 78 ASP H H 8.499 0.0 1 736 78 78 ASP CA C 53.405 0.0 1 737 78 78 ASP HA H 4.811 0.0 1 738 78 78 ASP CB C 40.507 0.0 1 739 78 78 ASP HB2 H 2.851 0.0 2 740 78 78 ASP HB3 H 2.489 0.0 2 741 78 78 ASP C C 175.537 0.0 1 742 79 79 GLN N N 116.358 0.0 1 743 79 79 GLN H H 7.59 0.0 1 744 79 79 GLN CA C 53.405 0.0 1 745 79 79 GLN HA H 4.646 0.0 1 746 79 79 GLN CB C 31.127 0.0 1 747 79 79 GLN HB2 H 2.294 0.0 2 748 79 79 GLN HB3 H 1.965 0.0 2 749 79 79 GLN CG C 32.886 0.0 1 750 79 79 GLN HG2 H 2.486 0.0 2 751 79 79 GLN HG3 H 2.373 0.0 2 752 79 79 GLN NE2 N 113.498 0.0 1 753 79 79 GLN HE21 H 7.629 0.0 2 754 79 79 GLN HE22 H 6.751 0.0 2 755 79 79 GLN C C 175.375 0.0 1 756 80 80 ALA N N 122.792 0.0 1 757 80 80 ALA H H 8.605 0.0 1 758 80 80 ALA CA C 55.75 0.0 1 759 80 80 ALA HA H 4.188 0.0 1 760 80 80 ALA HB H 1.527 0.0 1 761 80 80 ALA CB C 18.23 0.0 1 762 80 80 ALA C C 178.54 0.0 1 763 81 81 ILE N N 115.348 0.0 1 764 81 81 ILE H H 7.953 0.0 1 765 81 81 ILE CA C 61.133 0.0 1 766 81 81 ILE HA H 4.623 0.0 1 767 81 81 ILE CB C 40.605 0.0 1 768 81 81 ILE HB H 1.789 0.0 1 769 81 81 ILE HG2 H 0.832 0.0 1 770 81 81 ILE CG2 C 12.954 0.0 1 771 81 81 ILE CG1 C 27.052 0.0 1 772 81 81 ILE HG12 H 1.519 0.0 2 773 81 81 ILE HG13 H 1.519 0.0 2 774 81 81 ILE HD1 H 0.744 0.0 1 775 81 81 ILE CD1 C 17.208 0.0 1 776 81 81 ILE C C 175.074 0.0 1 777 82 82 THR N N 125.129 0.0 1 778 82 82 THR H H 8.761 0.0 1 779 82 82 THR CA C 61.026 0.0 1 780 82 82 THR HA H 4.937 0.0 1 781 82 82 THR CB C 70.406 0.0 1 782 82 82 THR HB H 4.115 0.0 1 783 82 82 THR HG2 H 1.24 0.0 1 784 82 82 THR CG2 C 22.334 0.0 1 785 82 82 THR C C 174.604 0.0 1 786 83 83 SER N N 126.536 0.0 1 787 83 83 SER H H 10.606 0.0 1 788 83 83 SER CA C 58.095 0.0 1 789 83 83 SER HA H 4.7 0.0 1 790 83 83 SER CB C 65.13 0.0 1 791 83 83 SER HB2 H 4.3 0.0 2 792 83 83 SER HB3 H 4.005 0.0 2 793 83 83 SER C C 172.623 0.0 1 794 84 84 ALA N N 123.006 0.0 1 795 84 84 ALA H H 8.831 0.0 1 796 84 84 ALA CA C 49.887 0.0 1 797 84 84 ALA HA H 5.695 0.0 1 798 84 84 ALA HB H 1.194 0.0 1 799 84 84 ALA CB C 21.747 0.0 1 800 84 84 ALA C C 175.756 0.0 1 801 85 85 GLY N N 108.829 0.0 1 802 85 85 GLY H H 8.41 0.0 1 803 85 85 GLY CA C 46.37 0.0 1 804 85 85 GLY HA2 H 4.424 0.0 1 805 85 85 GLY HA3 H 3.926 0.0 2 806 85 85 GLY C C 170.399 0.0 1 807 86 86 ARG N N 120.727 0.0 1 808 86 86 ARG H H 8.273 0.0 1 809 86 86 ARG CA C 55.164 0.0 1 810 86 86 ARG HA H 4.653 0.0 1 811 86 86 ARG CB C 34.059 0.0 1 812 86 86 ARG HB2 H 1.788 0.0 2 813 86 86 ARG HB3 H 1.696 0.0 2 814 86 86 ARG CG C 27.024 0.0 1 815 86 86 ARG HG2 H 1.609 0.0 2 816 86 86 ARG HG3 H 1.509 0.0 2 817 86 86 ARG CD C 42.852 0.0 1 818 86 86 ARG HD2 H 3.201 0.0 2 819 86 86 ARG HD3 H 3.103 0.0 2 820 86 86 ARG NE N 114.227 0.0 1 821 86 86 ARG HE H 7.925 0.0 1 822 86 86 ARG C C 175.659 0.0 1 823 87 87 HIS N N 125.047 0.0 1 824 87 87 HIS H H 9.126 0.0 1 825 87 87 HIS CA C 56.922 0.0 1 826 87 87 HIS HA H 4.382 0.0 1 827 87 87 HIS CB C 31.127 0.0 1 828 87 87 HIS HB2 H 2.886 0.0 2 829 87 87 HIS HB3 H 2.764 0.0 2 830 87 87 HIS ND1 N 116.898 0.0 1 831 87 87 HIS CD2 C 132.026 0.0 1 832 87 87 HIS HD1 H 9.239 0.0 1 833 87 87 HIS CE1 C 117.399 0.0 1 834 87 87 HIS HD2 H 6.56 0.0 1 835 87 87 HIS HE1 H 6.986 0.0 1 836 87 87 HIS C C 176.56 0.0 1 837 88 88 PRO CD C 50.474 0.0 1 838 88 88 PRO CA C 64.544 0.0 1 839 88 88 PRO HA H 3.745 0.0 1 840 88 88 PRO CB C 32.3 0.0 1 841 88 88 PRO HB2 H 1.954 0.0 2 842 88 88 PRO HB3 H 1.706 0.0 2 843 88 88 PRO CG C 27.024 0.0 1 844 88 88 PRO HG2 H 1.753 0.0 2 845 88 88 PRO HG3 H 1.648 0.0 2 846 88 88 PRO HD2 H 3.49 0.0 2 847 88 88 PRO HD3 H 2.331 0.0 2 848 88 88 PRO C C 176.901 0.0 1 849 89 89 ASP N N 121.623 0.0 1 850 89 89 ASP H H 10.807 0.0 1 851 89 89 ASP CA C 53.405 0.0 1 852 89 89 ASP HA H 4.668 0.0 1 853 89 89 ASP CB C 39.921 0.0 1 854 89 89 ASP HB2 H 2.833 0.0 2 855 89 89 ASP HB3 H 2.684 0.0 2 856 89 89 ASP C C 177.29 0.0 1 857 90 90 SER N N 118.014 0.0 1 858 90 90 SER H H 8.124 0.0 1 859 90 90 SER CA C 59.854 0.0 1 860 90 90 SER HA H 4.062 0.0 1 861 90 90 SER CB C 65.13 0.0 1 862 90 90 SER HB2 H 3.566 0.0 2 863 90 90 SER HB3 H 3.561 0.0 2 864 90 90 SER HG H 6.024 0.0 1 865 90 90 SER C C 173.297 0.0 1 866 91 91 ASP N N 125.896 0.0 1 867 91 91 ASP H H 8.272 0.0 1 868 91 91 ASP CA C 58.681 0.0 1 869 91 91 ASP HA H 4.375 0.0 1 870 91 91 ASP CB C 41.68 0.0 1 871 91 91 ASP HB2 H 3.26 0.0 2 872 91 91 ASP HB3 H 2.784 0.0 2 873 91 91 ASP C C 177.453 0.0 1 874 92 92 ILE N N 119.947 0.0 1 875 92 92 ILE H H 8.465 0.0 1 876 92 92 ILE CA C 60.44 0.0 1 877 92 92 ILE HA H 3.572 0.0 1 878 92 92 ILE CB C 37.576 0.0 1 879 92 92 ILE HB H 1.464 0.0 1 880 92 92 ILE HG2 H 0.277 0.0 1 881 92 92 ILE CG2 C 14.712 0.0 1 882 92 92 ILE CG1 C 25.851 0.0 1 883 92 92 ILE HG12 H 1.095 0.0 2 884 92 92 ILE HG13 H 0.347 0.0 2 885 92 92 ILE HD1 H -0.539 0.0 1 886 92 92 ILE CD1 C 14.126 0.0 1 887 92 92 ILE C C 172.85 0.0 1 888 93 93 PHE N N 127.282 0.0 1 889 93 93 PHE H H 7.971 0.0 1 890 93 93 PHE CA C 55.75 0.0 1 891 93 93 PHE HA H 5.008 0.0 1 892 93 93 PHE CB C 38.749 0.0 1 893 93 93 PHE HB2 H 3.027 0.0 2 894 93 93 PHE HB3 H 2.958 0.0 2 895 93 93 PHE CD1 C 132.026 0.0 3 896 93 93 PHE HD1 H 7.137 0.0 3 897 93 93 PHE CE1 C 131.745 0.0 3 898 93 93 PHE HE1 H 6.876 0.0 3 899 93 93 PHE CE2 C 131.745 0.0 3 900 93 93 PHE HE2 H 6.876 0.0 3 901 93 93 PHE CD2 C 132.026 0.0 3 902 93 93 PHE HD2 H 7.137 0.0 3 903 93 93 PHE C C 173.938 0.0 1 904 94 94 LEU N N 131.615 0.0 1 905 94 94 LEU H H 7.65 0.0 1 906 94 94 LEU CA C 52.232 0.0 1 907 94 94 LEU HA H 3.628 0.0 1 908 94 94 LEU CB C 41.094 0.0 1 909 94 94 LEU HB2 H 1.193 0.0 2 910 94 94 LEU HB3 H 0.199 0.0 2 911 94 94 LEU CG C 26.437 0.0 1 912 94 94 LEU HG H 0.252 0.0 1 913 94 94 LEU HD1 H 1.006 0.0 2 914 94 94 LEU HD2 H -0.382 0.0 2 915 94 94 LEU CD1 C 24.679 0.0 2 916 94 94 LEU CD2 C 20.575 0.0 2 917 94 94 LEU C C 173.67 0.0 1 918 95 95 ASP N N 121.009 0.0 1 919 95 95 ASP H H 7.93 0.0 1 920 95 95 ASP CA C 52.819 0.0 1 921 95 95 ASP HA H 4.132 0.0 1 922 95 95 ASP CB C 39.921 0.0 1 923 95 95 ASP HB2 H 2.622 0.0 2 924 95 95 ASP HB3 H 1.63 0.0 2 925 95 95 ASP C C 176.552 0.0 1 926 96 96 ASP N N 121.314 0.0 1 927 96 96 ASP H H 7.545 0.0 1 928 96 96 ASP CA C 55.164 0.0 1 929 96 96 ASP HA H 4.816 0.0 1 930 96 96 ASP CB C 48.129 0.0 1 931 96 96 ASP HB2 H 2.579 0.0 2 932 96 96 ASP HB3 H 2.38 0.0 2 933 96 96 ASP C C 176.625 0.0 1 934 97 97 VAL N N 122.229 0.0 1 935 97 97 VAL H H 8.301 0.0 1 936 97 97 VAL CA C 65.13 0.0 1 937 97 97 VAL HA H 3.976 0.0 1 938 97 97 VAL CB C 31.714 0.0 1 939 97 97 VAL HB H 2.378 0.0 1 940 97 97 VAL HG1 H 0.975 0.0 2 941 97 97 VAL HG2 H 0.966 0.0 2 942 97 97 VAL CG1 C 21.161 0.0 2 943 97 97 VAL CG2 C 19.402 0.0 2 944 97 97 VAL C C 174.693 0.0 1 945 98 98 THR N N 110.438 0.0 1 946 98 98 THR H H 8.168 0.0 1 947 98 98 THR CA C 63.957 0.0 1 948 98 98 THR HA H 4.474 0.0 1 949 98 98 THR CB C 70.406 0.0 1 950 98 98 THR HB H 4.003 0.0 1 951 98 98 THR HG2 H 0.967 0.0 1 952 98 98 THR CG2 C 22.334 0.0 1 953 98 98 THR C C 175.212 0.0 1 954 99 99 VAL N N 126.686 0.0 1 955 99 99 VAL H H 8.527 0.0 1 956 99 99 VAL CA C 61.612 0.0 1 957 99 99 VAL HA H 4.26 0.0 1 958 99 99 VAL CB C 32.886 0.0 1 959 99 99 VAL HB H 2.583 0.0 1 960 99 99 VAL HG1 H 1.154 0.0 2 961 99 99 VAL HG2 H 1.06 0.0 2 962 99 99 VAL CG1 C 20.575 0.0 2 963 99 99 VAL CG2 C 23.506 0.0 2 964 99 99 VAL C C 176.949 0.0 1 965 100 100 SER N N 128.635 0.0 1 966 100 100 SER H H 11.637 0.0 1 967 100 100 SER CA C 61.026 0.0 1 968 100 100 SER HA H 5.181 0.0 1 969 100 100 SER CB C 63.957 0.0 1 970 100 100 SER HB2 H 4.057 0.0 2 971 100 100 SER HB3 H 3.482 0.0 2 972 100 100 SER C C 175.48 0.0 1 973 101 101 ARG N N 126.787 0.0 1 974 101 101 ARG H H 10.867 0.0 1 975 101 101 ARG CA C 61.026 0.0 1 976 101 101 ARG HA H 3.734 0.0 1 977 101 101 ARG CB C 28.782 0.0 1 978 101 101 ARG HB2 H 2.037 0.0 2 979 101 101 ARG HB3 H 2.011 0.0 2 980 101 101 ARG CG C 28.196 0.0 1 981 101 101 ARG HG2 H 1.825 0.0 2 982 101 101 ARG HG3 H 1.757 0.0 2 983 101 101 ARG CD C 43.439 0.0 1 984 101 101 ARG HD2 H 3.195 0.0 2 985 101 101 ARG HD3 H 2.882 0.0 2 986 101 101 ARG NE N 115.198 0.0 1 987 101 101 ARG HE H 6.778 0.0 1 988 101 101 ARG C C 177.063 0.0 1 989 102 102 ARG N N 115.65 0.0 1 990 102 102 ARG H H 7.892 0.0 1 991 102 102 ARG CA C 53.991 0.0 1 992 102 102 ARG HA H 4.077 0.0 1 993 102 102 ARG CB C 30.541 0.0 1 994 102 102 ARG HB2 H 1.488 0.0 2 995 102 102 ARG HB3 H 1.359 0.0 2 996 102 102 ARG CG C 25.851 0.0 1 997 102 102 ARG HG2 H 1.424 0.0 2 998 102 102 ARG HG3 H 1.338 0.0 2 999 102 102 ARG CD C 42.852 0.0 1 1000 102 102 ARG HD2 H 3.061 0.0 2 1001 102 102 ARG HD3 H 3.059 0.0 2 1002 102 102 ARG NE N 114.955 0.0 1 1003 102 102 ARG HE H 7.465 0.0 1 1004 102 102 ARG C C 172.923 0.0 1 1005 103 103 HIS N N 124.084 0.0 1 1006 103 103 HIS H H 7.587 0.0 1 1007 103 103 HIS CA C 58.095 0.0 1 1008 103 103 HIS HA H 4.418 0.0 1 1009 103 103 HIS CB C 34.645 0.0 1 1010 103 103 HIS HB2 H 3.252 0.0 2 1011 103 103 HIS HB3 H 3.179 0.0 2 1012 103 103 HIS ND1 N 106.214 0.0 1 1013 103 103 HIS CD2 C 130.057 0.0 1 1014 103 103 HIS HD1 H 10.86 0.0 1 1015 103 103 HIS CE1 C 117.399 0.0 1 1016 103 103 HIS HD2 H 6.786 0.0 1 1017 103 103 HIS HE1 H 6.747 0.0 1 1018 103 103 HIS C C 173.551 0.0 1 1019 104 104 ALA N N 116.58 0.0 1 1020 104 104 ALA H H 8.439 0.0 1 1021 104 104 ALA CA C 50.474 0.0 1 1022 104 104 ALA HA H 5.556 0.0 1 1023 104 104 ALA HB H 1.122 0.0 1 1024 104 104 ALA CB C 22.92 0.0 1 1025 104 104 ALA C C 176.398 0.0 1 1026 105 105 GLU N N 117.981 0.0 1 1027 105 105 GLU H H 9.009 0.0 1 1028 105 105 GLU CA C 54.577 0.0 1 1029 105 105 GLU HA H 4.985 0.0 1 1030 105 105 GLU CB C 34.645 0.0 1 1031 105 105 GLU HB2 H 1.651 0.0 2 1032 105 105 GLU HB3 H 1.581 0.0 2 1033 105 105 GLU CG C 36.99 0.0 1 1034 105 105 GLU HG2 H 2.135 0.0 2 1035 105 105 GLU HG3 H 1.993 0.0 2 1036 105 105 GLU C C 174.117 0.0 1 1037 106 106 PHE N N 119.943 0.0 1 1038 106 106 PHE H H 9.365 0.0 1 1039 106 106 PHE CA C 56.336 0.0 1 1040 106 106 PHE HA H 4.727 0.0 1 1041 106 106 PHE CB C 41.094 0.0 1 1042 106 106 PHE HB2 H 2.933 0.0 2 1043 106 106 PHE HB3 H 2.528 0.0 2 1044 106 106 PHE CD1 C 132.026 0.0 3 1045 106 106 PHE HD1 H 7.049 0.0 3 1046 106 106 PHE CD2 C 132.026 0.0 3 1047 106 106 PHE HD2 H 7.049 0.0 3 1048 106 106 PHE C C 176.592 0.0 1 1049 107 107 ARG N N 126.266 0.0 1 1050 107 107 ARG H H 9.662 0.0 1 1051 107 107 ARG HA H 5.401 0.0 1 1052 107 107 ARG HB2 H 1.7 0.0 2 1053 107 107 ARG HB3 H 1.7 0.0 2 1054 107 107 ARG HG2 H 1.465 0.0 2 1055 107 107 ARG HG3 H 1.465 0.0 2 1056 107 107 ARG HD2 H 3.02 0.0 2 1057 107 107 ARG HD3 H 3.02 0.0 2 1058 107 107 ARG NE N 114.955 0.0 1 1059 107 107 ARG HE H 7.149 0.0 1 1060 107 107 ARG C C 174.328 0.0 1 1061 108 108 LEU N N 128.257 0.0 1 1062 108 108 LEU H H 8.926 0.0 1 1063 108 108 LEU CA C 53.991 0.0 1 1064 108 108 LEU HA H 4.427 0.0 1 1065 108 108 LEU CB C 42.852 0.0 1 1066 108 108 LEU HB2 H 1.648 0.0 2 1067 108 108 LEU HB3 H 0.938 0.0 2 1068 108 108 LEU CG C 27.024 0.0 1 1069 108 108 LEU HG H 0.908 0.0 1 1070 108 108 LEU HD1 H 0.479 0.0 2 1071 108 108 LEU HD2 H -0.185 0.0 2 1072 108 108 LEU CD1 C 24.679 0.0 2 1073 108 108 LEU CD2 C 21.161 0.0 2 1074 108 108 LEU C C 176.081 0.0 1 1075 109 109 GLU N N 128.222 0.0 1 1076 109 109 GLU H H 8.755 0.0 1 1077 109 109 GLU CA C 55.75 0.0 1 1078 109 109 GLU HA H 4.427 0.0 1 1079 109 109 GLU CB C 32.3 0.0 1 1080 109 109 GLU HB2 H 1.796 0.0 2 1081 109 109 GLU HB3 H 1.74 0.0 2 1082 109 109 GLU CG C 35.817 0.0 1 1083 109 109 GLU HG2 H 2.057 0.0 2 1084 109 109 GLU HG3 H 2.017 0.0 2 1085 109 109 GLU C C 175.854 0.0 1 1086 110 110 ASN N N 124.687 0.0 1 1087 110 110 ASN H H 9.347 0.0 1 1088 110 110 ASN CA C 54.577 0.0 1 1089 110 110 ASN HA H 4.186 0.0 1 1090 110 110 ASN CB C 36.99 0.0 1 1091 110 110 ASN HB2 H 2.935 0.0 2 1092 110 110 ASN HB3 H 2.699 0.0 2 1093 110 110 ASN ND2 N 113.984 0.0 1 1094 110 110 ASN HD21 H 7.641 0.0 2 1095 110 110 ASN HD22 H 6.794 0.0 2 1096 110 110 ASN C C 174.303 0.0 1 1097 111 111 ASN N N 108.773 0.0 1 1098 111 111 ASN H H 8.578 0.0 1 1099 111 111 ASN CA C 54.577 0.0 1 1100 111 111 ASN HA H 3.99 0.0 1 1101 111 111 ASN CB C 38.162 0.0 1 1102 111 111 ASN HB2 H 3.004 0.0 2 1103 111 111 ASN HB3 H 2.898 0.0 2 1104 111 111 ASN ND2 N 113.012 0.0 1 1105 111 111 ASN HD21 H 7.461 0.0 2 1106 111 111 ASN HD22 H 6.778 0.0 2 1107 111 111 ASN C C 173.175 0.0 1 1108 112 112 GLU N N 118.478 0.0 1 1109 112 112 GLU H H 7.607 0.0 1 1110 112 112 GLU CA C 54.577 0.0 1 1111 112 112 GLU HA H 4.648 0.0 1 1112 112 112 GLU CB C 32.886 0.0 1 1113 112 112 GLU HB2 H 2.053 0.0 2 1114 112 112 GLU HB3 H 1.886 0.0 2 1115 112 112 GLU CG C 35.231 0.0 1 1116 112 112 GLU HG2 H 2.261 0.0 2 1117 112 112 GLU HG3 H 2.254 0.0 2 1118 112 112 GLU C C 174.376 0.0 1 1119 113 113 PHE N N 121.436 0.0 1 1120 113 113 PHE H H 9.625 0.0 1 1121 113 113 PHE CA C 58.681 0.0 1 1122 113 113 PHE HA H 4.962 0.0 1 1123 113 113 PHE CB C 41.68 0.0 1 1124 113 113 PHE HB2 H 2.939 0.0 2 1125 113 113 PHE HB3 H 2.508 0.0 2 1126 113 113 PHE CD1 C 132.026 0.0 3 1127 113 113 PHE HD1 H 7.167 0.0 3 1128 113 113 PHE CE1 C 132.026 0.0 3 1129 113 113 PHE HE1 H 7.03 0.0 3 1130 113 113 PHE CE2 C 132.026 0.0 3 1131 113 113 PHE HE2 H 7.03 0.0 3 1132 113 113 PHE CD2 C 132.026 0.0 3 1133 113 113 PHE HD2 H 7.167 0.0 3 1134 113 113 PHE C C 174.563 0.0 1 1135 114 114 ASN N N 119.558 0.0 1 1136 114 114 ASN H H 9.174 0.0 1 1137 114 114 ASN CA C 51.06 0.0 1 1138 114 114 ASN HA H 5.563 0.0 1 1139 114 114 ASN CB C 42.266 0.0 1 1140 114 114 ASN HB2 H 2.534 0.0 2 1141 114 114 ASN HB3 H 2.253 0.0 2 1142 114 114 ASN ND2 N 110.341 0.0 1 1143 114 114 ASN HD21 H 6.698 0.0 2 1144 114 114 ASN HD22 H 6.609 0.0 2 1145 114 114 ASN C C 174.936 0.0 1 1146 115 115 VAL N N 121.31 0.0 1 1147 115 115 VAL H H 9.011 0.0 1 1148 115 115 VAL CA C 58.681 0.0 1 1149 115 115 VAL HA H 4.88 0.0 1 1150 115 115 VAL CB C 34.059 0.0 1 1151 115 115 VAL HB H 1.607 0.0 1 1152 115 115 VAL HG1 H 0.728 0.0 2 1153 115 115 VAL HG2 H 0.084 0.0 2 1154 115 115 VAL CG1 C 19.402 0.0 2 1155 115 115 VAL CG2 C 22.92 0.0 2 1156 115 115 VAL C C 171.673 0.0 1 1157 116 116 VAL N N 125.613 0.0 1 1158 116 116 VAL H H 8.605 0.0 1 1159 116 116 VAL CA C 59.854 0.0 1 1160 116 116 VAL HA H 4.575 0.0 1 1161 116 116 VAL CB C 35.817 0.0 1 1162 116 116 VAL HB H 1.693 0.0 1 1163 116 116 VAL HG1 H 0.737 0.0 2 1164 116 116 VAL HG2 H 0.729 0.0 2 1165 116 116 VAL CG1 C 20.575 0.0 2 1166 116 116 VAL CG2 C 20.575 0.0 2 1167 116 116 VAL C C 175.594 0.0 1 1168 117 117 ASP N N 126.881 0.0 1 1169 117 117 ASP H H 8.447 0.0 1 1170 117 117 ASP CA C 54.577 0.0 1 1171 117 117 ASP HA H 4.819 0.0 1 1172 117 117 ASP CB C 43.439 0.0 1 1173 117 117 ASP HB2 H 2.991 0.0 2 1174 117 117 ASP HB3 H 2.37 0.0 2 1175 117 117 ASP C C 177.274 0.0 1 1176 118 118 VAL N N 119.783 0.0 1 1177 118 118 VAL H H 7.941 0.0 1 1178 118 118 VAL CA C 60.44 0.0 1 1179 118 118 VAL HA H 4.537 0.0 1 1180 118 118 VAL CB C 29.369 0.0 1 1181 118 118 VAL HB H 2.325 0.0 1 1182 118 118 VAL HG1 H 0.609 0.0 2 1183 118 118 VAL HG2 H 0.383 0.0 2 1184 118 118 VAL CG1 C 21.161 0.0 2 1185 118 118 VAL CG2 C 18.23 0.0 2 1186 118 118 VAL C C 174.328 0.0 1 1187 119 119 GLY N N 111.585 0.0 1 1188 119 119 GLY H H 8.615 0.0 1 1189 119 119 GLY CA C 45.197 0.0 1 1190 119 119 GLY HA2 H 4.264 0.0 1 1191 119 119 GLY HA3 H 3.688 0.0 2 1192 119 119 GLY C C 175.505 0.0 1 1193 120 120 SER N N 121.641 0.0 1 1194 120 120 SER H H 9.214 0.0 1 1195 120 120 SER CA C 58.095 0.0 1 1196 120 120 SER HA H 3.885 0.0 1 1197 120 120 SER CB C 61.026 0.0 1 1198 120 120 SER HB2 H 3.376 0.0 2 1199 120 120 SER HB3 H 2.943 0.0 2 1200 120 120 SER C C 176.04 0.0 1 1201 121 121 LEU N N 121.441 0.0 1 1202 121 121 LEU H H 8.014 0.0 1 1203 121 121 LEU CA C 57.509 0.0 1 1204 121 121 LEU HA H 4.241 0.0 1 1205 121 121 LEU CB C 41.68 0.0 1 1206 121 121 LEU HB2 H 1.779 0.0 2 1207 121 121 LEU HB3 H 1.694 0.0 2 1208 121 121 LEU HD1 H 0.896 0.0 2 1209 121 121 LEU HD2 H 0.674 0.0 2 1210 121 121 LEU CD1 C 22.92 0.0 2 1211 121 121 LEU CD2 C 26.437 0.0 2 1212 121 121 LEU C C 179.376 0.0 1 1213 122 122 ASN N N 111.777 0.0 1 1214 122 122 ASN H H 8.697 0.0 1 1215 122 122 ASN CA C 53.991 0.0 1 1216 122 122 ASN HA H 4.977 0.0 1 1217 122 122 ASN CB C 40.507 0.0 1 1218 122 122 ASN HB2 H 3.369 0.0 2 1219 122 122 ASN HB3 H 2.993 0.0 2 1220 122 122 ASN ND2 N 117.869 0.0 1 1221 122 122 ASN HD21 H 8.294 0.0 2 1222 122 122 ASN HD22 H 8.294 0.0 2 1223 122 122 ASN C C 175.902 0.0 1 1224 123 123 GLY N N 110.77 0.0 1 1225 123 123 GLY H H 8.01 0.0 1 1226 123 123 GLY CA C 44.025 0.0 1 1227 123 123 GLY HA2 H 4.252 0.0 1 1228 123 123 GLY HA3 H 3.638 0.0 2 1229 123 123 GLY C C 173.938 0.0 1 1230 124 124 THR N N 121.689 0.0 1 1231 124 124 THR H H 8.964 0.0 1 1232 124 124 THR CA C 63.957 0.0 1 1233 124 124 THR HA H 4.799 0.0 1 1234 124 124 THR CB C 69.82 0.0 1 1235 124 124 THR HB H 3.75 0.0 1 1236 124 124 THR HG2 H 0.85 0.0 1 1237 124 124 THR CG2 C 21.161 0.0 1 1238 124 124 THR C C 172.355 0.0 1 1239 125 125 TYR N N 123.35 0.0 1 1240 125 125 TYR H H 8.244 0.0 1 1241 125 125 TYR CA C 55.75 0.0 1 1242 125 125 TYR HA H 5.342 0.0 1 1243 125 125 TYR CB C 41.094 0.0 1 1244 125 125 TYR HB2 H 3.133 0.0 2 1245 125 125 TYR HB3 H 2.371 0.0 2 1246 125 125 TYR CD1 C 133.151 0.0 3 1247 125 125 TYR HD1 H 6.784 0.0 3 1248 125 125 TYR CE1 C 118.524 0.0 3 1249 125 125 TYR HE1 H 6.95 0.0 3 1250 125 125 TYR CE2 C 118.524 0.0 3 1251 125 125 TYR HE2 H 6.95 0.0 3 1252 125 125 TYR CD2 C 133.151 0.0 3 1253 125 125 TYR HD2 H 6.784 0.0 3 1254 125 125 TYR C C 175.943 0.0 1 1255 126 126 VAL N N 121.527 0.0 1 1256 126 126 VAL H H 8.927 0.0 1 1257 126 126 VAL CA C 61.026 0.0 1 1258 126 126 VAL HA H 4.941 0.0 1 1259 126 126 VAL CB C 32.886 0.0 1 1260 126 126 VAL HB H 1.732 0.0 1 1261 126 126 VAL HG1 H 0.734 0.0 2 1262 126 126 VAL HG2 H 0.75 0.0 2 1263 126 126 VAL CG1 C 22.92 0.0 2 1264 126 126 VAL CG2 C 21.161 0.0 2 1265 126 126 VAL C C 176.658 0.0 1 1266 127 127 ASN N N 128.973 0.0 1 1267 127 127 ASN H H 10.018 0.0 1 1268 127 127 ASN CA C 54.577 0.0 1 1269 127 127 ASN HA H 4.379 0.0 1 1270 127 127 ASN CB C 36.99 0.0 1 1271 127 127 ASN HB2 H 2.932 0.0 2 1272 127 127 ASN HB3 H 2.794 0.0 2 1273 127 127 ASN ND2 N 117.14 0.0 1 1274 127 127 ASN HD21 H 7.755 0.0 2 1275 127 127 ASN HD22 H 7.428 0.0 2 1276 127 127 ASN C C 174.474 0.0 1 1277 128 128 ARG N N 106.343 0.0 1 1278 128 128 ARG H H 9.259 0.0 1 1279 128 128 ARG CA C 58.095 0.0 1 1280 128 128 ARG HA H 2.959 0.0 1 1281 128 128 ARG CB C 27.052 0.0 1 1282 128 128 ARG HB2 H 2.033 0.0 2 1283 128 128 ARG HB3 H 1.365 0.0 2 1284 128 128 ARG HG2 H 1.2 0.0 2 1285 128 128 ARG HG3 H 0.849 0.0 2 1286 128 128 ARG HD2 H 2.823 0.0 2 1287 128 128 ARG HD3 H 2.823 0.0 2 1288 128 128 ARG NE N 116.169 0.0 1 1289 128 128 ARG HE H 7.426 0.0 1 1290 128 128 ARG C C 174.449 0.0 1 1291 129 129 GLU N N 120.047 0.0 1 1292 129 129 GLU H H 7.738 0.0 1 1293 129 129 GLU CA C 52.819 0.0 1 1294 129 129 GLU HA H 5.092 0.0 1 1295 129 129 GLU CB C 31.127 0.0 1 1296 129 129 GLU HB2 H 2.074 0.0 2 1297 129 129 GLU HB3 H 1.852 0.0 2 1298 129 129 GLU CG C 34.645 0.0 1 1299 129 129 GLU HG2 H 2.354 0.0 2 1300 129 129 GLU HG3 H 2.238 0.0 2 1301 129 129 GLU C C 173.427 0.0 1 1302 130 130 PRO CD C 50.474 0.0 1 1303 130 130 PRO CA C 62.199 0.0 1 1304 130 130 PRO HA H 4.066 0.0 1 1305 130 130 PRO CB C 31.127 0.0 1 1306 130 130 PRO HB2 H 1.741 0.0 2 1307 130 130 PRO HB3 H 1.622 0.0 2 1308 130 130 PRO CG C 27.024 0.0 1 1309 130 130 PRO HG2 H 2.207 0.0 2 1310 130 130 PRO HG3 H 2.055 0.0 2 1311 130 130 PRO HD2 H 3.952 0.0 2 1312 130 130 PRO HD3 H 3.859 0.0 2 1313 130 130 PRO C C 177.534 0.0 1 1314 131 131 VAL N N 114.933 0.0 1 1315 131 131 VAL H H 8.313 0.0 1 1316 131 131 VAL CA C 58.681 0.0 1 1317 131 131 VAL HA H 4.708 0.0 1 1318 131 131 VAL CB C 35.231 0.0 1 1319 131 131 VAL HB H 1.898 0.0 1 1320 131 131 VAL HG1 H 0.831 0.0 2 1321 131 131 VAL HG2 H 0.45 0.0 2 1322 131 131 VAL CG1 C 21.747 0.0 2 1323 131 131 VAL CG2 C 18.23 0.0 2 1324 131 131 VAL C C 175.683 0.0 1 1325 132 132 ASP N N 120.662 0.0 1 1326 132 132 ASP H H 8.45 0.0 1 1327 132 132 ASP CA C 55.75 0.0 1 1328 132 132 ASP HA H 4.775 0.0 1 1329 132 132 ASP CB C 41.094 0.0 1 1330 132 132 ASP HB2 H 2.76 0.0 2 1331 132 132 ASP HB3 H 2.628 0.0 2 1332 132 132 ASP C C 176.208 0.0 1 1333 133 133 SER N N 111.689 0.0 1 1334 133 133 SER H H 7.62 0.0 1 1335 133 133 SER CA C 56.336 0.0 1 1336 133 133 SER HA H 5.431 0.0 1 1337 133 133 SER CB C 65.13 0.0 1 1338 133 133 SER HB2 H 3.74 0.0 2 1339 133 133 SER HB3 H 3.733 0.0 2 1340 133 133 SER C C 173.443 0.0 1 1341 134 134 ALA N N 125.059 0.0 1 1342 134 134 ALA H H 8.737 0.0 1 1343 134 134 ALA CA C 52.232 0.0 1 1344 134 134 ALA HA H 4.594 0.0 1 1345 134 134 ALA HB H 1.241 0.0 1 1346 134 134 ALA CB C 22.334 0.0 1 1347 134 134 ALA C C 175.391 0.0 1 1348 135 135 VAL N N 122.876 0.0 1 1349 135 135 VAL H H 8.266 0.0 1 1350 135 135 VAL CA C 62.785 0.0 1 1351 135 135 VAL HA H 4.098 0.0 1 1352 135 135 VAL CB C 32.3 0.0 1 1353 135 135 VAL HB H 1.848 0.0 1 1354 135 135 VAL HG1 H 0.912 0.0 2 1355 135 135 VAL HG2 H 0.881 0.0 2 1356 135 135 VAL CG1 C 21.161 0.0 2 1357 135 135 VAL CG2 C 21.747 0.0 2 1358 135 135 VAL C C 176.162 0.0 1 1359 136 136 LEU N N 128.99 0.0 1 1360 136 136 LEU H H 8.415 0.0 1 1361 136 136 LEU CA C 53.991 0.0 1 1362 136 136 LEU HA H 4.354 0.0 1 1363 136 136 LEU CB C 42.852 0.0 1 1364 136 136 LEU HB2 H 0.623 0.0 2 1365 136 136 LEU HB3 H 0.048 0.0 2 1366 136 136 LEU CG C 26.437 0.0 1 1367 136 136 LEU HG H 0.356 0.0 1 1368 136 136 LEU HD1 H 0.62 0.0 2 1369 136 136 LEU HD2 H 0.615 0.0 2 1370 136 136 LEU CD1 C 23.506 0.0 2 1371 136 136 LEU CD2 C 23.506 0.0 2 1372 136 136 LEU C C 175.147 0.0 1 1373 137 137 ALA N N 126.102 0.0 1 1374 137 137 ALA H H 9.077 0.0 1 1375 137 137 ALA CA C 49.301 0.0 1 1376 137 137 ALA HA H 4.724 0.0 1 1377 137 137 ALA HB H 1.402 0.0 1 1378 137 137 ALA CB C 22.334 0.0 1 1379 137 137 ALA C C 176.543 0.0 1 1380 138 138 ASN N N 117.55 0.0 1 1381 138 138 ASN H H 8.751 0.0 1 1382 138 138 ASN CA C 56.336 0.0 1 1383 138 138 ASN HA H 4.427 0.0 1 1384 138 138 ASN CB C 39.921 0.0 1 1385 138 138 ASN HB2 H 2.932 0.0 2 1386 138 138 ASN HB3 H 2.705 0.0 2 1387 138 138 ASN ND2 N 113.498 0.0 1 1388 138 138 ASN HD21 H 7.514 0.0 2 1389 138 138 ASN HD22 H 6.711 0.0 2 1390 138 138 ASN C C 176.479 0.0 1 1391 139 139 GLY N N 117.502 0.0 1 1392 139 139 GLY H H 10.068 0.0 1 1393 139 139 GLY CA C 45.197 0.0 1 1394 139 139 GLY HA2 H 4.429 0.0 1 1395 139 139 GLY HA3 H 3.41 0.0 2 1396 139 139 GLY C C 174.401 0.0 1 1397 140 140 ASP N N 123.186 0.0 1 1398 140 140 ASP H H 8.592 0.0 1 1399 140 140 ASP CA C 55.75 0.0 1 1400 140 140 ASP HA H 4.812 0.0 1 1401 140 140 ASP CB C 42.266 0.0 1 1402 140 140 ASP HB2 H 2.814 0.0 2 1403 140 140 ASP HB3 H 2.345 0.0 2 1404 140 140 ASP C C 174.782 0.0 1 1405 141 141 GLU N N 118.457 0.0 1 1406 141 141 GLU H H 8.222 0.0 1 1407 141 141 GLU CA C 54.577 0.0 1 1408 141 141 GLU HA H 5.273 0.0 1 1409 141 141 GLU CB C 32.3 0.0 1 1410 141 141 GLU HB2 H 2.049 0.0 2 1411 141 141 GLU HB3 H 1.967 0.0 2 1412 141 141 GLU CG C 37.576 0.0 1 1413 141 141 GLU HG2 H 2.392 0.0 2 1414 141 141 GLU HG3 H 2.031 0.0 2 1415 141 141 GLU C C 176.138 0.0 1 1416 142 142 VAL N N 127.748 0.0 1 1417 142 142 VAL H H 9.676 0.0 1 1418 142 142 VAL CA C 60.44 0.0 1 1419 142 142 VAL HA H 5.235 0.0 1 1420 142 142 VAL CB C 34.645 0.0 1 1421 142 142 VAL HB H 2.004 0.0 1 1422 142 142 VAL HG1 H 0.952 0.0 2 1423 142 142 VAL HG2 H 0.946 0.0 2 1424 142 142 VAL CG1 C 21.161 0.0 2 1425 142 142 VAL CG2 C 21.161 0.0 2 1426 142 142 VAL C C 174.271 0.0 1 1427 143 143 GLN N N 129.736 0.0 1 1428 143 143 GLN H H 9.515 0.0 1 1429 143 143 GLN CA C 54.577 0.0 1 1430 143 143 GLN HA H 5.438 0.0 1 1431 143 143 GLN CB C 29.955 0.0 1 1432 143 143 GLN HB2 H 2.228 0.0 2 1433 143 143 GLN HB3 H 2.226 0.0 2 1434 143 143 GLN CG C 32.3 0.0 1 1435 143 143 GLN HG2 H 2.513 0.0 2 1436 143 143 GLN HG3 H 2.198 0.0 2 1437 143 143 GLN NE2 N 110.099 0.0 1 1438 143 143 GLN HE21 H 7.656 0.0 2 1439 143 143 GLN HE22 H 6.6 0.0 2 1440 143 143 GLN C C 175.034 0.0 1 1441 144 144 ILE N N 128.956 0.0 1 1442 144 144 ILE H H 8.547 0.0 1 1443 144 144 ILE CA C 60.44 0.0 1 1444 144 144 ILE HA H 4.128 0.0 1 1445 144 144 ILE CB C 41.094 0.0 1 1446 144 144 ILE HB H 1.279 0.0 1 1447 144 144 ILE HG2 H 0.525 0.0 1 1448 144 144 ILE CG2 C 12.954 0.0 1 1449 144 144 ILE CG1 C 27.61 0.0 1 1450 144 144 ILE HG12 H 1.438 0.0 2 1451 144 144 ILE HG13 H 0.852 0.0 2 1452 144 144 ILE HD1 H -0.144 0.0 1 1453 144 144 ILE CD1 C 14.712 0.0 1 1454 144 144 ILE C C 174.798 0.0 1 1455 145 145 GLY N N 116.627 0.0 1 1456 145 145 GLY H H 9.937 0.0 1 1457 145 145 GLY CA C 46.37 0.0 1 1458 145 145 GLY HA2 H 3.752 0.0 1 1459 145 145 GLY HA3 H 3.374 0.0 2 1460 145 145 GLY C C 174.758 0.0 1 1461 146 146 LYS N N 123.063 0.0 1 1462 146 146 LYS H H 7.134 0.0 1 1463 146 146 LYS CA C 57.509 0.0 1 1464 146 146 LYS HA H 3.65 0.0 1 1465 146 146 LYS CB C 32.886 0.0 1 1466 146 146 LYS HB2 H 1.349 0.0 2 1467 146 146 LYS HB3 H 0.824 0.0 2 1468 146 146 LYS CG C 25.851 0.0 1 1469 146 146 LYS HG2 H 0.652 0.0 2 1470 146 146 LYS HG3 H 0.646 0.0 2 1471 146 146 LYS CD C 28.782 0.0 1 1472 146 146 LYS HD2 H 1.273 0.0 2 1473 146 146 LYS HD3 H 1.268 0.0 2 1474 146 146 LYS CE C 41.094 0.0 1 1475 146 146 LYS HE2 H 2.552 0.0 2 1476 146 146 LYS HE3 H 2.442 0.0 2 1477 146 146 LYS C C 175.699 0.0 1 1478 147 147 PHE N N 122.7 0.0 1 1479 147 147 PHE H H 8.159 0.0 1 1480 147 147 PHE CA C 58.681 0.0 1 1481 147 147 PHE HA H 4.55 0.0 1 1482 147 147 PHE CB C 39.921 0.0 1 1483 147 147 PHE HB2 H 3.471 0.0 2 1484 147 147 PHE HB3 H 2.541 0.0 2 1485 147 147 PHE CD1 C 131.745 0.0 3 1486 147 147 PHE HD1 H 7.011 0.0 3 1487 147 147 PHE CE1 C 132.026 0.0 3 1488 147 147 PHE HE1 H 7.258 0.0 3 1489 147 147 PHE CE2 C 132.026 0.0 3 1490 147 147 PHE HE2 H 7.258 0.0 3 1491 147 147 PHE CD2 C 131.745 0.0 3 1492 147 147 PHE HD2 H 7.011 0.0 3 1493 147 147 PHE C C 174.296 0.0 1 1494 148 148 ARG N N 122.198 0.0 1 1495 148 148 ARG H H 8.663 0.0 1 1496 148 148 ARG CA C 54.577 0.0 1 1497 148 148 ARG HA H 5.48 0.0 1 1498 148 148 ARG CB C 32.886 0.0 1 1499 148 148 ARG HB2 H 1.803 0.0 2 1500 148 148 ARG HB3 H 1.727 0.0 2 1501 148 148 ARG CG C 28.196 0.0 1 1502 148 148 ARG HG2 H 1.548 0.0 2 1503 148 148 ARG HG3 H 1.447 0.0 2 1504 148 148 ARG CD C 43.439 0.0 1 1505 148 148 ARG HD2 H 3.106 0.0 2 1506 148 148 ARG HD3 H 3.096 0.0 2 1507 148 148 ARG NE N 115.684 0.0 1 1508 148 148 ARG HE H 7.341 0.0 1 1509 148 148 ARG C C 174.92 0.0 1 1510 149 149 LEU N N 127.394 0.0 1 1511 149 149 LEU H H 9.807 0.0 1 1512 149 149 LEU CA C 53.405 0.0 1 1513 149 149 LEU HA H 5.512 0.0 1 1514 149 149 LEU CB C 44.611 0.0 1 1515 149 149 LEU HB2 H 1.769 0.0 2 1516 149 149 LEU HB3 H 1.442 0.0 2 1517 149 149 LEU CG C 28.196 0.0 1 1518 149 149 LEU HG H 1.685 0.0 1 1519 149 149 LEU HD1 H 0.804 0.0 2 1520 149 149 LEU HD2 H 0.798 0.0 2 1521 149 149 LEU CD1 C 26.437 0.0 2 1522 149 149 LEU CD2 C 26.437 0.0 2 1523 149 149 LEU C C 175.277 0.0 1 1524 150 150 VAL N N 121.478 0.0 1 1525 150 150 VAL H H 9.269 0.0 1 1526 150 150 VAL CA C 60.44 0.0 1 1527 150 150 VAL HA H 5.066 0.0 1 1528 150 150 VAL CB C 34.645 0.0 1 1529 150 150 VAL HB H 1.81 0.0 1 1530 150 150 VAL HG1 H 0.956 0.0 2 1531 150 150 VAL HG2 H 0.905 0.0 2 1532 150 150 VAL CG1 C 22.334 0.0 2 1533 150 150 VAL CG2 C 20.575 0.0 2 1534 150 150 VAL C C 173.418 0.0 1 1535 151 151 PHE N N 128.869 0.0 1 1536 151 151 PHE H H 8.764 0.0 1 1537 151 151 PHE CA C 56.922 0.0 1 1538 151 151 PHE HA H 5.043 0.0 1 1539 151 151 PHE CB C 41.094 0.0 1 1540 151 151 PHE HB2 H 3.011 0.0 2 1541 151 151 PHE HB3 H 2.558 0.0 2 1542 151 151 PHE CD1 C 132.026 0.0 3 1543 151 151 PHE HD1 H 6.858 0.0 3 1544 151 151 PHE CD2 C 132.026 0.0 3 1545 151 151 PHE HD2 H 6.858 0.0 3 1546 151 151 PHE C C 172.826 0.0 1 1547 152 152 LEU N N 128.096 0.0 1 1548 152 152 LEU H H 8.657 0.0 1 1549 152 152 LEU CA C 52.819 0.0 1 1550 152 152 LEU HA H 5.014 0.0 1 1551 152 152 LEU CB C 45.784 0.0 1 1552 152 152 LEU HB2 H 1.392 0.0 2 1553 152 152 LEU HB3 H 1.272 0.0 2 1554 152 152 LEU CG C 27.024 0.0 1 1555 152 152 LEU HG H 1.393 0.0 1 1556 152 152 LEU HD1 H 0.812 0.0 2 1557 152 152 LEU HD2 H 0.694 0.0 2 1558 152 152 LEU CD1 C 23.506 0.0 2 1559 152 152 LEU CD2 C 25.851 0.0 2 1560 152 152 LEU C C 175.253 0.0 1 1561 153 153 THR N N 110.644 0.0 1 1562 153 153 THR H H 8.178 0.0 1 1563 153 153 THR CA C 60.44 0.0 1 1564 153 153 THR HA H 4.215 0.0 1 1565 153 153 THR CB C 70.406 0.0 1 1566 153 153 THR HB H 4.076 0.0 1 1567 153 153 THR HG2 H 1.127 0.0 1 1568 153 153 THR HG1 H 6.834 0.0 1 1569 153 153 THR CG2 C 21.161 0.0 1 1570 153 153 THR C C 174.352 0.0 1 1571 154 154 GLY N N 109.387 0.0 1 1572 154 154 GLY H H 8.113 0.0 1 1573 154 154 GLY CA C 44.543 0.0 1 1574 154 154 GLY HA2 H 3.943 0.0 1 1575 154 154 GLY HA3 H 3.943 0.0 2 1576 154 154 GLY C C 171.576 0.0 1 1577 155 155 PRO CD C 49.881 0.0 1 1578 155 155 PRO CA C 63.102 0.0 1 1579 155 155 PRO HA H 4.407 0.0 1 1580 155 155 PRO CB C 32.447 0.0 1 1581 155 155 PRO HB2 H 2.252 0.0 2 1582 155 155 PRO HB3 H 1.826 0.0 2 1583 155 155 PRO CG C 27.384 0.0 1 1584 155 155 PRO HG2 H 2.02 0.0 2 1585 155 155 PRO HG3 H 1.96 0.0 2 1586 155 155 PRO HD2 H 3.535 0.0 2 1587 155 155 PRO HD3 H 3.446 0.0 2 1588 155 155 PRO C C 176.966 0.0 1 1589 156 156 LYS N N 121.922 0.0 1 1590 156 156 LYS H H 8.457 0.0 1 1591 156 156 LYS C C 176.722 0.0 1 1592 157 157 GLN N N 122.509 0.0 1 1593 157 157 GLN H H 8.579 0.0 1 1594 157 157 GLN CA C 55.749 0.0 1 1595 157 157 GLN HA H 4.251 0.0 1 1596 157 157 GLN CB C 29.634 0.0 1 1597 157 157 GLN HB2 H 2.043 0.0 2 1598 157 157 GLN HB3 H 1.908 0.0 2 1599 157 157 GLN CG C 33.854 0.0 1 1600 157 157 GLN HG2 H 2.3 0.0 2 1601 157 157 GLN HG3 H 2.3 0.0 2 1602 157 157 GLN C C 176.292 0.0 1 1603 158 158 GLY N N 111.357 0.0 1 1604 158 158 GLY H H 8.527 0.0 1 1605 158 158 GLY CA C 45.106 0.0 1 1606 158 158 GLY HA2 H 3.972 0.0 1 1607 158 158 GLY HA3 H 3.972 0.0 2 1608 158 158 GLY C C 173.962 0.0 1 1609 159 159 GLU N N 120.36 0.0 1 1610 159 159 GLU H H 8.238 0.0 1 1611 159 159 GLU CA C 56.351 0.0 1 1612 159 159 GLU HA H 4.276 0.0 1 1613 159 159 GLU CB C 30.197 0.0 1 1614 159 159 GLU HB2 H 2.009 0.0 2 1615 159 159 GLU HB3 H 1.889 0.0 2 1616 159 159 GLU CG C 36.385 0.0 1 1617 159 159 GLU HG2 H 2.231 0.0 2 1618 159 159 GLU HG3 H 2.231 0.0 2 1619 159 159 GLU C C 176.268 0.0 1 1620 160 160 ASP N N 121.317 0.0 1 1621 160 160 ASP H H 8.419 0.0 1 1622 160 160 ASP CA C 53.405 0.0 1 1623 160 160 ASP HA H 4.642 0.0 1 1624 160 160 ASP CB C 40.042 0.0 1 1625 160 160 ASP HB2 H 2.728 0.0 2 1626 160 160 ASP HB3 H 2.728 0.0 2 1627 160 160 ASP C C 176.057 0.0 1 1628 161 161 ASP N N 121.738 0.0 1 1629 161 161 ASP H H 8.279 0.0 1 1630 161 161 ASP CA C 53.819 0.0 1 1631 161 161 ASP HA H 4.539 0.0 1 1632 161 161 ASP CB C 41.167 0.0 1 1633 161 161 ASP HB2 H 2.671 0.0 2 1634 161 161 ASP HB3 H 2.677 0.0 2 1635 161 161 ASP C C 177.217 0.0 1 1636 162 162 GLY N N 109.574 0.0 1 1637 162 162 GLY H H 8.491 0.0 1 1638 162 162 GLY CA C 45.387 0.0 1 1639 162 162 GLY HA2 H 3.98 0.0 1 1640 162 162 GLY HA3 H 3.98 0.0 2 1641 162 162 GLY C C 174.888 0.0 1 1642 163 163 SER N N 115.977 0.0 1 1643 163 163 SER H H 8.232 0.0 1 1644 163 163 SER CA C 58.602 0.0 1 1645 163 163 SER HA H 4.435 0.0 1 1646 163 163 SER CB C 63.665 0.0 1 1647 163 163 SER HB2 H 3.841 0.0 2 1648 163 163 SER HB3 H 3.841 0.0 2 1649 163 163 SER C C 175.212 0.0 1 1650 164 164 THR N N 115.021 0.0 1 1651 164 164 THR H H 8.204 0.0 1 1652 164 164 THR CA C 61.696 0.0 1 1653 164 164 THR HA H 4.321 0.0 1 1654 164 164 THR CB C 69.572 0.0 1 1655 164 164 THR HB H 4.21 0.0 1 1656 164 164 THR HG2 H 1.174 0.0 1 1657 164 164 THR CG2 C 21.476 0.0 1 1658 164 164 THR C C 175.22 0.0 1 1659 165 165 GLY N N 111.108 0.0 1 1660 165 165 GLY H H 8.324 0.0 1 1661 165 165 GLY C C 174.206 0.0 1 1662 166 166 GLY N N 111.064 0.0 1 1663 166 166 GLY H H 8.293 0.0 1 1664 166 166 GLY C C 171.673 0.0 1 stop_ save_