data_18904 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution structure of the two domain PPIase SlpA from Escherichia coli ; _BMRB_accession_number 18904 _BMRB_flat_file_name bmr18904.str _Entry_type original _Submission_date 2012-12-17 _Accession_date 2012-12-17 _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 Kovermann Michael . . 2 Weininger Ulrich . . 3 Balbach Jochen . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 842 "13C chemical shifts" 466 "15N chemical shifts" 151 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-12-16 original author . stop_ _Original_release_date 2013-12-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR solution structure of the two domain PPIase SlpA from Escherichia coli' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kovermann Michael . . 2 Geitner Anne-Juliane . . 3 Weininger Ulrich . . 4 Schmid Franz-Xaver . . 5 Balbach Jochen . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'two domain PPIase SlpA from Escherichia coli' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PPIase_SlpA $PPIase_SlpA 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_PPIase_SlpA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PPIase_SlpA _Molecular_mass 16022.982 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; MSESVQSNSAVLVHFTLKLD DGTTAESTRNNGKPALFRLG DASLSEGLEQHLLGLKVGDK TTFSLEPDAAFGVPSPDLIQ YFSRREFMDAGEPEIGAIML FTAMDGSEMPGVIREINGDS ITVDFNHPLAGQTVHFDIEV LEIDPALE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 GLU 4 SER 5 VAL 6 GLN 7 SER 8 ASN 9 SER 10 ALA 11 VAL 12 LEU 13 VAL 14 HIS 15 PHE 16 THR 17 LEU 18 LYS 19 LEU 20 ASP 21 ASP 22 GLY 23 THR 24 THR 25 ALA 26 GLU 27 SER 28 THR 29 ARG 30 ASN 31 ASN 32 GLY 33 LYS 34 PRO 35 ALA 36 LEU 37 PHE 38 ARG 39 LEU 40 GLY 41 ASP 42 ALA 43 SER 44 LEU 45 SER 46 GLU 47 GLY 48 LEU 49 GLU 50 GLN 51 HIS 52 LEU 53 LEU 54 GLY 55 LEU 56 LYS 57 VAL 58 GLY 59 ASP 60 LYS 61 THR 62 THR 63 PHE 64 SER 65 LEU 66 GLU 67 PRO 68 ASP 69 ALA 70 ALA 71 PHE 72 GLY 73 VAL 74 PRO 75 SER 76 PRO 77 ASP 78 LEU 79 ILE 80 GLN 81 TYR 82 PHE 83 SER 84 ARG 85 ARG 86 GLU 87 PHE 88 MET 89 ASP 90 ALA 91 GLY 92 GLU 93 PRO 94 GLU 95 ILE 96 GLY 97 ALA 98 ILE 99 MET 100 LEU 101 PHE 102 THR 103 ALA 104 MET 105 ASP 106 GLY 107 SER 108 GLU 109 MET 110 PRO 111 GLY 112 VAL 113 ILE 114 ARG 115 GLU 116 ILE 117 ASN 118 GLY 119 ASP 120 SER 121 ILE 122 THR 123 VAL 124 ASP 125 PHE 126 ASN 127 HIS 128 PRO 129 LEU 130 ALA 131 GLY 132 GLN 133 THR 134 VAL 135 HIS 136 PHE 137 ASP 138 ILE 139 GLU 140 VAL 141 LEU 142 GLU 143 ILE 144 ASP 145 PRO 146 ALA 147 LEU 148 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-19 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 2M2A "Nmr Solution Structure Of The Two Domain Ppiase Slpa From Escherichia Coli" 100.00 148 100.00 100.00 4.04e-101 PDB 4DT4 "Crystal Structure Of The Ppiase-Chaperone Slpa With The Chaperone Binding Site Occupied By The Linker Of The Purification Tag" 100.00 169 100.00 100.00 8.12e-101 DBJ BAB33454 "putative FKBX-type 16KD peptidyl-prolyl cis-trans isomerase [Escherichia coli O157:H7 str. Sakai]" 100.00 149 100.00 100.00 3.83e-101 DBJ BAB96597 "FKBP-type peptidyl-prolyl cis-trans isomerase [Escherichia coli str. K12 substr. W3110]" 100.00 149 100.00 100.00 3.83e-101 DBJ BAG75550 "peptidyl-prolyl cis-trans isomerase [Escherichia coli SE11]" 100.00 149 100.00 100.00 3.83e-101 DBJ BAI23389 "FKBP-type peptidyl-prolyl cis-trans isomerase [Escherichia coli O26:H11 str. 11368]" 100.00 149 100.00 100.00 3.83e-101 DBJ BAI28909 "FKBP-type peptidyl-prolyl cis-trans isomerase [Escherichia coli O103:H2 str. 12009]" 100.00 149 100.00 100.00 3.83e-101 EMBL CAA38706 "ORF 1 [Escherichia coli K-12]" 100.00 149 100.00 100.00 3.83e-101 EMBL CAP74597 "FKBP-type 16 kDa peptidyl-prolyl cis-trans isomerase [Escherichia coli LF82]" 100.00 149 100.00 100.00 3.83e-101 EMBL CAQ30548 "peptidylprolyl isomerase [Escherichia coli BL21(DE3)]" 100.00 149 100.00 100.00 3.83e-101 EMBL CAQ87608 "FKBP-type peptidyl-prolyl cis-trans isomerase (rotamase) [Escherichia fergusonii ATCC 35469]" 100.00 149 100.00 100.00 3.83e-101 EMBL CAQ96919 "FKBP-type peptidyl-prolyl cis-trans isomerase (rotamase) [Escherichia coli IAI1]" 100.00 149 100.00 100.00 3.83e-101 GB AAC73139 "FKBP-type peptidyl-prolyl cis-trans isomerase (rotamase) [Escherichia coli str. K-12 substr. MG1655]" 100.00 149 100.00 100.00 3.83e-101 GB AAG54330 "probable FKBX-type 16KD peptidyl-prolyl cis-trans isomerase (a rotamase) [Escherichia coli O157:H7 str. EDL933]" 100.00 149 100.00 100.00 3.83e-101 GB AAN41690 "probable FKBX-type 16kD peptidyl-prolyl cis-trans isomerase (a rotamase) [Shigella flexneri 2a str. 301]" 100.00 149 100.00 100.00 3.83e-101 GB AAN41691 "probable FKBX-type 16kD peptidyl-prolyl cis-trans isomerase (a rotamase) [Shigella flexneri 2a str. 301]" 100.00 149 100.00 100.00 3.83e-101 GB AAN78532 "FKBP-type 16 kDa peptidyl-prolyl cis-trans isomerase [Escherichia coli CFT073]" 100.00 149 100.00 100.00 3.83e-101 REF NP_308058 "FKBP-type peptidyl-prolyl cis-trans isomerase [Escherichia coli O157:H7 str. Sakai]" 100.00 149 100.00 100.00 3.83e-101 REF NP_414569 "FKBP-type peptidyl-prolyl cis-trans isomerase (rotamase) [Escherichia coli str. K-12 substr. MG1655]" 100.00 149 100.00 100.00 3.83e-101 REF NP_705983 "FKBP-type peptidylprolyl isomerase [Shigella flexneri 2a str. 301]" 100.00 149 100.00 100.00 3.83e-101 REF NP_705984 "FKBP-type peptidylprolyl isomerase [Shigella flexneri 2a str. 301]" 100.00 149 100.00 100.00 3.83e-101 REF WP_000004647 "MULTISPECIES: peptidyl-prolyl cis-trans isomerase [Escherichia]" 100.00 149 99.32 100.00 5.93e-101 SP P0AEM0 "RecName: Full=FKBP-type 16 kDa peptidyl-prolyl cis-trans isomerase; Short=PPIase; AltName: Full=Rotamase" 100.00 149 100.00 100.00 3.83e-101 SP P0AEM1 "RecName: Full=FKBP-type 16 kDa peptidyl-prolyl cis-trans isomerase; Short=PPIase; AltName: Full=Rotamase" 100.00 149 100.00 100.00 3.83e-101 SP P0AEM2 "RecName: Full=FKBP-type 16 kDa peptidyl-prolyl cis-trans isomerase; Short=PPIase; AltName: Full=Rotamase" 100.00 149 100.00 100.00 3.83e-101 SP P0AEM3 "RecName: Full=FKBP-type 16 kDa peptidyl-prolyl cis-trans isomerase; Short=PPIase; AltName: Full=Rotamase" 100.00 149 100.00 100.00 3.83e-101 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PPIase_SlpA '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 $PPIase_SlpA 'recombinant technology' . Escherichia coli . 'not applicable' 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 $PPIase_SlpA 1 mM '[U-99% 13C; U-99% 15N]' 'potassium phosphate' 100 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _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 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_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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' 0.1 . M pH 7.5 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.0 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 '3D HNCA' '3D HNCACB' '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 PPIase_SlpA _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 SER H H 7.7812 0.01 . 2 2 2 SER HA H 4.367 0.01 . 3 2 2 SER HB2 H 3.906 0.01 . 4 2 2 SER HB3 H 3.789 0.01 . 5 2 2 SER CB C 63.355 0.01 . 6 3 3 GLU H H 8.005 0.01 . 7 3 3 GLU HA H 4.216 0.01 . 8 3 3 GLU HB2 H 1.994 0.01 . 9 3 3 GLU HB3 H 1.866 0.01 . 10 3 3 GLU HG2 H 2.32 0.01 . 11 3 3 GLU HG3 H 2.176 0.01 . 12 3 3 GLU CA C 57.245 0.01 . 13 3 3 GLU CB C 30.683 0.01 . 14 4 4 SER H H 7.765 0.01 . 15 4 4 SER HA H 4.971 0.01 . 16 4 4 SER HB2 H 3.426 0.01 . 17 4 4 SER HB3 H 3.326 0.01 . 18 4 4 SER CA C 56.265 0.01 . 19 4 4 SER CB C 66.752 0.01 . 20 4 4 SER N N 112.627 0.01 . 21 5 5 VAL H H 8.967 0.01 . 22 5 5 VAL HA H 3.326 0.01 . 23 5 5 VAL HB H 2.292 0.01 . 24 5 5 VAL HG1 H 0.817 0.01 . 25 5 5 VAL HG2 H 0.694 0.01 . 26 5 5 VAL CA C 65.806 0.01 . 27 5 5 VAL CB C 31.867 0.01 . 28 5 5 VAL CG1 C 22.944 0.01 . 29 5 5 VAL CG2 C 18.291 0.01 . 30 5 5 VAL N N 122.697 0.01 . 31 6 6 GLN H H 9.138 0.01 . 32 6 6 GLN HA H 4.417 0.01 . 33 6 6 GLN HB2 H 1.908 0.01 . 34 6 6 GLN HB3 H 1.908 0.01 . 35 6 6 GLN HG2 H 2.318 0.01 . 36 6 6 GLN HG3 H 2.257 0.01 . 37 6 6 GLN HE21 H 6.667 0.01 . 38 6 6 GLN HE22 H 7.113 0.01 . 39 6 6 GLN CA C 54.007 0.01 . 40 6 6 GLN CB C 31.648 0.01 . 41 6 6 GLN CG C 33.728 0.01 . 42 6 6 GLN N N 130.084 0.01 . 43 6 6 GLN NE2 N 114.955 0.01 . 44 7 7 SER H H 8.28 0.01 . 45 7 7 SER HA H 3.698 0.01 . 46 7 7 SER HB2 H 3.79 0.01 . 47 7 7 SER HB3 H 3.694 0.01 . 48 7 7 SER CA C 61.654 0.01 . 49 7 7 SER CB C 63.402 0.01 . 50 7 7 SER N N 113.297 0.01 . 51 8 8 ASN H H 7.45 0.01 . 52 8 8 ASN HA H 4.864 0.01 . 53 8 8 ASN HB2 H 2.798 0.01 . 54 8 8 ASN HB3 H 2.615 0.01 . 55 8 8 ASN HD21 H 6.725 0.01 . 56 8 8 ASN HD22 H 7.468 0.01 . 57 8 8 ASN CA C 51.604 0.01 . 58 8 8 ASN CB C 38.713 0.01 . 59 8 8 ASN N N 116.264 0.01 . 60 8 8 ASN ND2 N 112.484 0.01 . 61 9 9 SER H H 7.455 0.01 . 62 9 9 SER HA H 4.53 0.01 . 63 9 9 SER HB2 H 3.81 0.01 . 64 9 9 SER HB3 H 3.585 0.01 . 65 9 9 SER CA C 61.144 0.01 . 66 9 9 SER CB C 64.13 0.01 . 67 9 9 SER N N 117.902 0.01 . 68 10 10 ALA H H 8.308 0.01 . 69 10 10 ALA HA H 5.136 0.01 . 70 10 10 ALA HB H 1.311 0.01 . 71 10 10 ALA CA C 50.584 0.01 . 72 10 10 ALA CB C 20.796 0.01 . 73 10 10 ALA N N 124.222 0.01 . 74 11 11 VAL H H 9.468 0.01 . 75 11 11 VAL HA H 4.611 0.01 . 76 11 11 VAL HB H 1.825 0.01 . 77 11 11 VAL HG1 H 0.739 0.01 . 78 11 11 VAL HG2 H 0.767 0.01 . 79 11 11 VAL CA C 60.416 0.01 . 80 11 11 VAL CB C 35.435 0.01 . 81 11 11 VAL CG1 C 23.343 0.01 . 82 11 11 VAL CG2 C 23.343 0.01 . 83 11 11 VAL N N 122.584 0.01 . 84 12 12 LEU H H 8.869 0.01 . 85 12 12 LEU HA H 5.025 0.01 . 86 12 12 LEU HB2 H 1.643 0.01 . 87 12 12 LEU HB3 H 0.946 0.01 . 88 12 12 LEU HG H 1.094 0.01 . 89 12 12 LEU HD1 H 0.544 0.01 . 90 12 12 LEU HD2 H 0.582 0.01 . 91 12 12 LEU CA C 53.716 0.01 . 92 12 12 LEU CB C 44.976 0.01 . 93 12 12 LEU CG C 27.44 0.01 . 94 12 12 LEU CD1 C 23.892 0.01 . 95 12 12 LEU CD2 C 25.535 0.01 . 96 12 12 LEU N N 131.368 0.01 . 97 13 13 VAL H H 9.226 0.01 . 98 13 13 VAL HA H 5.298 0.01 . 99 13 13 VAL HB H 1.948 0.01 . 100 13 13 VAL HG1 H 0.016 0.01 . 101 13 13 VAL HG2 H 0.528 0.01 . 102 13 13 VAL CA C 58.959 0.01 . 103 13 13 VAL CB C 35.435 0.01 . 104 13 13 VAL CG1 C 18.139 0.01 . 105 13 13 VAL CG2 C 22.245 0.01 . 106 13 13 VAL N N 119.755 0.01 . 107 14 14 HIS H H 8.199 0.01 . 108 14 14 HIS HA H 5.362 0.01 . 109 14 14 HIS HB2 H 2.597 0.01 . 110 14 14 HIS HB3 H 2.596 0.01 . 111 14 14 HIS HD2 H 6.722 0.01 . 112 14 14 HIS HE1 H 6.963 0.01 . 113 14 14 HIS CA C 55.391 0.01 . 114 14 14 HIS CB C 34.926 0.01 . 115 14 14 HIS CE1 C 136.79 0.01 . 116 14 14 HIS N N 118.135 0.01 . 117 15 15 PHE H H 9.421 0.01 . 118 15 15 PHE HA H 6.094 0.01 . 119 15 15 PHE HB2 H 3.186 0.01 . 120 15 15 PHE HB3 H 2.848 0.01 . 121 15 15 PHE HD1 H 6.779 0.01 . 122 15 15 PHE HD2 H 6.779 0.01 . 123 15 15 PHE HE1 H 7.096 0.01 . 124 15 15 PHE HE2 H 7.096 0.01 . 125 15 15 PHE HZ H 7.337 0.01 . 126 15 15 PHE CA C 56.483 0.01 . 127 15 15 PHE CB C 44.539 0.01 . 128 15 15 PHE CD2 C 131.931 0.01 . 129 15 15 PHE CE2 C 131.58 0.01 . 130 15 15 PHE CZ C 130.403 0.01 . 131 15 15 PHE N N 118.759 0.01 . 132 16 16 THR H H 8.813 0.01 . 133 16 16 THR HA H 4.699 0.01 . 134 16 16 THR HB H 3.972 0.01 . 135 16 16 THR HG2 H 1.163 0.01 . 136 16 16 THR CA C 62.383 0.01 . 137 16 16 THR CB C 72.215 0.01 . 138 16 16 THR CG2 C 22.94 0.01 . 139 16 16 THR N N 116.015 0.01 . 140 17 17 LEU H H 8.98 0.01 . 141 17 17 LEU HA H 4.906 0.01 . 142 17 17 LEU HB2 H 1.453 0.01 . 143 17 17 LEU HB3 H 1.33 0.01 . 144 17 17 LEU HG H 1.065 0.01 . 145 17 17 LEU HD1 H 0.297 0.01 . 146 17 17 LEU HD2 H 0.37 0.01 . 147 17 17 LEU CA C 53.716 0.01 . 148 17 17 LEU CB C 44.83 0.01 . 149 17 17 LEU CG C 27.44 0.01 . 150 17 17 LEU CD1 C 24.99 0.01 . 151 17 17 LEU CD2 C 24.692 0.01 . 152 17 17 LEU N N 128.802 0.01 . 153 18 18 LYS H H 9.268 0.01 . 154 18 18 LYS HA H 5.346 0.01 . 155 18 18 LYS HB2 H 1.641 0.01 . 156 18 18 LYS HB3 H 1.494 0.01 . 157 18 18 LYS HG2 H 1.32 0.01 . 158 18 18 LYS HG3 H 0.887 0.01 . 159 18 18 LYS HD2 H 1.242 0.01 . 160 18 18 LYS HD3 H 1.242 0.01 . 161 18 18 LYS HE2 H 2.679 0.01 . 162 18 18 LYS HE3 H 2.679 0.01 . 163 18 18 LYS HZ H 7.869 0.01 . 164 18 18 LYS CA C 54.735 0.01 . 165 18 18 LYS CB C 37.547 0.01 . 166 18 18 LYS CE C 42.07 0.01 . 167 18 18 LYS N N 126.083 0.01 . 168 19 19 LEU H H 8.089 0.01 . 169 19 19 LEU HA H 4.866 0.01 . 170 19 19 LEU HB2 H 1.862 0.01 . 171 19 19 LEU HB3 H 1.774 0.01 . 172 19 19 LEU HG H 1.4 0.01 . 173 19 19 LEU HD1 H 0.654 0.01 . 174 19 19 LEU HD2 H 0.73 0.01 . 175 19 19 LEU CA C 52.987 0.01 . 176 19 19 LEU CB C 42.573 0.01 . 177 19 19 LEU CG C 27.42 0.01 . 178 19 19 LEU CD1 C 21.99 0.01 . 179 19 19 LEU CD2 C 24.85 0.01 . 180 19 19 LEU N N 118.525 0.01 . 181 20 20 ASP H H 9.989 0.01 . 182 20 20 ASP HA H 4.218 0.01 . 183 20 20 ASP HB2 H 2.719 0.01 . 184 20 20 ASP HB3 H 2.564 0.01 . 185 20 20 ASP CA C 57.503 0.01 . 186 20 20 ASP CB C 41.043 0.01 . 187 20 20 ASP N N 123.989 0.01 . 188 21 21 ASP H H 7.616 0.01 . 189 21 21 ASP HA H 4.326 0.01 . 190 21 21 ASP HB2 H 2.918 0.01 . 191 21 21 ASP HB3 H 2.448 0.01 . 192 21 21 ASP CA C 53.497 0.01 . 193 21 21 ASP CB C 39.951 0.01 . 194 21 21 ASP N N 116.02 0.01 . 195 22 22 GLY H H 8.025 0.01 . 196 22 22 GLY HA2 H 3.471 0.01 . 197 22 22 GLY HA3 H 4.171 0.01 . 198 22 22 GLY CA C 45.049 0.01 . 199 22 22 GLY N N 108.639 0.01 . 200 23 23 THR H H 8.09 0.01 . 201 23 23 THR HA H 3.883 0.01 . 202 23 23 THR HB H 3.896 0.01 . 203 23 23 THR HG2 H 0.957 0.01 . 204 23 23 THR CA C 63.621 0.01 . 205 23 23 THR CB C 70.175 0.01 . 206 23 23 THR CG2 C 21.295 0.01 . 207 23 23 THR N N 116.995 0.01 . 208 24 24 THR H H 8.752 0.01 . 209 24 24 THR HA H 4.268 0.01 . 210 24 24 THR HB H 3.938 0.01 . 211 24 24 THR HG2 H 0.92 0.01 . 212 24 24 THR CA C 63.475 0.01 . 213 24 24 THR CB C 69.01 0.01 . 214 24 24 THR CG2 C 22.25 0.01 . 215 24 24 THR N N 121.178 0.01 . 216 25 25 ALA H H 8.965 0.01 . 217 25 25 ALA HA H 4.227 0.01 . 218 25 25 ALA HB H 1.148 0.01 . 219 25 25 ALA CA C 53.279 0.01 . 220 25 25 ALA CB C 19.922 0.01 . 221 25 25 ALA N N 133.477 0.01 . 222 26 26 GLU H H 7.437 0.01 . 223 26 26 GLU HA H 4.357 0.01 . 224 26 26 GLU HB2 H 1.802 0.01 . 225 26 26 GLU HB3 H 1.801 0.01 . 226 26 26 GLU HG2 H 2.092 0.01 . 227 26 26 GLU HG3 H 1.985 0.01 . 228 26 26 GLU CA C 55.973 0.01 . 229 26 26 GLU CB C 33.979 0.01 . 230 26 26 GLU CG C 33.65 0.01 . 231 26 26 GLU N N 115.239 0.01 . 232 27 27 SER H H 8.798 0.01 . 233 27 27 SER HA H 4.954 0.01 . 234 27 27 SER HB2 H 3.802 0.01 . 235 27 27 SER HB3 H 3.425 0.01 . 236 27 27 SER CA C 56.192 0.01 . 237 27 27 SER CB C 64.349 0.01 . 238 27 27 SER N N 118.257 0.01 . 239 28 28 THR H H 8.583 0.01 . 240 28 28 THR HA H 4.122 0.01 . 241 28 28 THR HB H 4.653 0.01 . 242 28 28 THR HG2 H 0.775 0.01 . 243 28 28 THR CA C 64.932 0.01 . 244 28 28 THR CB C 66.461 0.01 . 245 28 28 THR CG2 C 19.794 0.01 . 246 28 28 THR N N 121.82 0.01 . 247 29 29 ARG H H 7.847 0.01 . 248 29 29 ARG HA H 3.577 0.01 . 249 29 29 ARG HB2 H 1.421 0.01 . 250 29 29 ARG HB3 H 1.242 0.01 . 251 29 29 ARG HG2 H 1.764 0.01 . 252 29 29 ARG HG3 H 1.763 0.01 . 253 29 29 ARG HD2 H 2.619 0.01 . 254 29 29 ARG HD3 H 2.618 0.01 . 255 29 29 ARG HE H 6.985 0.01 . 256 29 29 ARG CA C 58.287 0.01 . 257 29 29 ARG CB C 29.357 0.01 . 258 29 29 ARG CD C 42.867 0.01 . 259 29 29 ARG N N 120.35 0.01 . 260 29 29 ARG NE N 85.109 0.01 . 261 30 30 ASN H H 7.428 0.01 . 262 30 30 ASN HA H 4.282 0.01 . 263 30 30 ASN HB2 H 2.728 0.01 . 264 30 30 ASN HB3 H 2.655 0.01 . 265 30 30 ASN HD21 H 6.849 0.01 . 266 30 30 ASN HD22 H 7.681 0.01 . 267 30 30 ASN CA C 55.464 0.01 . 268 30 30 ASN CB C 37.62 0.01 . 269 30 30 ASN N N 118.348 0.01 . 270 30 30 ASN ND2 N 112.51 0.01 . 271 31 31 ASN H H 7.813 0.01 . 272 31 31 ASN HA H 4.543 0.01 . 273 31 31 ASN HB2 H 2.889 0.01 . 274 31 31 ASN HB3 H 2.797 0.01 . 275 31 31 ASN HD21 H 7.028 0.01 . 276 31 31 ASN HD22 H 7.631 0.01 . 277 31 31 ASN CA C 53.497 0.01 . 278 31 31 ASN CB C 38.713 0.01 . 279 31 31 ASN N N 116.255 0.01 . 280 31 31 ASN ND2 N 112.193 0.01 . 281 32 32 GLY H H 7.593 0.01 . 282 32 32 GLY HA2 H 3.684 0.01 . 283 32 32 GLY HA3 H 4.01 0.01 . 284 32 32 GLY CA C 46.069 0.01 . 285 32 32 GLY N N 107.719 0.01 . 286 33 33 LYS H H 7.563 0.01 . 287 33 33 LYS HA H 4.764 0.01 . 288 33 33 LYS HB2 H 1.681 0.01 . 289 33 33 LYS HB3 H 1.557 0.01 . 290 33 33 LYS HG2 H 1.342 0.01 . 291 33 33 LYS HG3 H 1.265 0.01 . 292 33 33 LYS HD2 H 1.512 0.01 . 293 33 33 LYS HD3 H 1.473 0.01 . 294 33 33 LYS HE2 H 2.853 0.01 . 295 33 33 LYS HE3 H 2.853 0.01 . 296 33 33 LYS HZ H 6.957 0.01 . 297 33 33 LYS CA C 53.424 0.01 . 298 33 33 LYS CB C 33.833 0.01 . 299 33 33 LYS CG C 24.165 0.01 . 300 33 33 LYS CE C 42.191 0.01 . 301 33 33 LYS N N 120.459 0.01 . 302 34 34 PRO HA H 4.026 0.01 . 303 34 34 PRO HB2 H 1.303 0.01 . 304 34 34 PRO HB3 H 1.034 0.01 . 305 34 34 PRO HG2 H 1.539 0.01 . 306 34 34 PRO HG3 H 1.112 0.01 . 307 34 34 PRO HD2 H 3.513 0.01 . 308 34 34 PRO HD3 H 3.512 0.01 . 309 34 34 PRO CA C 62.819 0.01 . 310 34 34 PRO CB C 32.785 0.01 . 311 34 34 PRO CD C 50.78 0.01 . 312 35 35 ALA H H 8.488 0.01 . 313 35 35 ALA HA H 4.529 0.01 . 314 35 35 ALA HB H 1.275 0.01 . 315 35 35 ALA CA C 50.505 0.01 . 316 35 35 ALA CB C 23.08 0.01 . 317 35 35 ALA N N 123.167 0.01 . 318 36 36 LEU H H 8.344 0.01 . 319 36 36 LEU HA H 4.832 0.01 . 320 36 36 LEU HB2 H 1.754 0.01 . 321 36 36 LEU HB3 H 1.052 0.01 . 322 36 36 LEU HG H 1.162 0.01 . 323 36 36 LEU HD1 H 0.577 0.01 . 324 36 36 LEU HD2 H 0.651 0.01 . 325 36 36 LEU CA C 53.623 0.01 . 326 36 36 LEU CB C 43.813 0.01 . 327 36 36 LEU CG C 27.572 0.01 . 328 36 36 LEU CD1 C 24.308 0.01 . 329 36 36 LEU CD2 C 25.671 0.01 . 330 36 36 LEU N N 122.708 0.01 . 331 37 37 PHE H H 9.365 0.01 . 332 37 37 PHE HA H 4.992 0.01 . 333 37 37 PHE HB2 H 3.039 0.01 . 334 37 37 PHE HB3 H 2.798 0.01 . 335 37 37 PHE HD1 H 6.831 0.01 . 336 37 37 PHE HD2 H 6.831 0.01 . 337 37 37 PHE HE1 H 6.845 0.01 . 338 37 37 PHE HE2 H 6.845 0.01 . 339 37 37 PHE HZ H 6.085 0.01 . 340 37 37 PHE CA C 53.296 0.01 . 341 37 37 PHE CB C 40.052 0.01 . 342 37 37 PHE CD2 C 130.667 0.01 . 343 37 37 PHE CE2 C 129.48 0.01 . 344 37 37 PHE CZ C 128.43 0.01 . 345 37 37 PHE N N 129.97 0.01 . 346 38 38 ARG H H 9.127 0.01 . 347 38 38 ARG HA H 4.628 0.01 . 348 38 38 ARG HB2 H 1.574 0.01 . 349 38 38 ARG HB3 H 1.463 0.01 . 350 38 38 ARG HG2 H 1.287 0.01 . 351 38 38 ARG HG3 H 1.286 0.01 . 352 38 38 ARG HD2 H 3.045 0.01 . 353 38 38 ARG HD3 H 2.981 0.01 . 354 38 38 ARG HE H 7.144 0.01 . 355 38 38 ARG CA C 55.245 0.01 . 356 38 38 ARG CB C 31.575 0.01 . 357 38 38 ARG CG C 27.837 0.01 . 358 38 38 ARG CD C 42.902 0.01 . 359 38 38 ARG N N 125.125 0.01 . 360 38 38 ARG NE N 85.287 0.01 . 361 39 39 LEU H H 8.226 0.01 . 362 39 39 LEU HA H 4.222 0.01 . 363 39 39 LEU HB2 H 1.749 0.01 . 364 39 39 LEU HB3 H 1.493 0.01 . 365 39 39 LEU HG H 1.378 0.01 . 366 39 39 LEU HD1 H 0.351 0.01 . 367 39 39 LEU HD2 H 0.64 0.01 . 368 39 39 LEU CA C 57.576 0.01 . 369 39 39 LEU CB C 41.99 0.01 . 370 39 39 LEU CG C 19.501 0.01 . 371 39 39 LEU CD1 C 26.41 0.01 . 372 39 39 LEU CD2 C 23.07 0.01 . 373 39 39 LEU N N 125.298 0.01 . 374 40 40 GLY H H 9.202 0.01 . 375 40 40 GLY HA2 H 3.816 0.01 . 376 40 40 GLY HA3 H 4.123 0.01 . 377 40 40 GLY CA C 46.651 0.01 . 378 40 40 GLY N N 108.053 0.01 . 379 41 41 ASP H H 7.865 0.01 . 380 41 41 ASP HA H 4.648 0.01 . 381 41 41 ASP HB2 H 2.803 0.01 . 382 41 41 ASP HB3 H 2.154 0.01 . 383 41 41 ASP CA C 52.623 0.01 . 384 41 41 ASP CB C 41.116 0.01 . 385 41 41 ASP N N 120.755 0.01 . 386 42 42 ALA H H 8.665 0.01 . 387 42 42 ALA HA H 3.937 0.01 . 388 42 42 ALA HB H 1.347 0.01 . 389 42 42 ALA CA C 53.716 0.01 . 390 42 42 ALA CB C 16.936 0.01 . 391 42 42 ALA N N 121.385 0.01 . 392 43 43 SER H H 8.579 0.01 . 393 43 43 SER HA H 4.041 0.01 . 394 43 43 SER HB2 H 3.68 0.01 . 395 43 43 SER HB3 H 3.942 0.01 . 396 43 43 SER CA C 60.78 0.01 . 397 43 43 SER CB C 62.528 0.01 . 398 43 43 SER N N 117.944 0.01 . 399 44 44 LEU H H 8.734 0.01 . 400 44 44 LEU HA H 4.408 0.01 . 401 44 44 LEU HB2 H 1.745 0.01 . 402 44 44 LEU HB3 H 1.015 0.01 . 403 44 44 LEU HG H 1.011 0.01 . 404 44 44 LEU HD1 H 0.13 0.01 . 405 44 44 LEU HD2 H 0.351 0.01 . 406 44 44 LEU CA C 52.56 0.01 . 407 44 44 LEU CB C 44.16 0.01 . 408 44 44 LEU CG C 27.902 0.01 . 409 44 44 LEU CD1 C 21.846 0.01 . 410 44 44 LEU CD2 C 26.412 0.01 . 411 44 44 LEU N N 125.72 0.01 . 412 45 45 SER H H 7.875 0.01 . 413 45 45 SER HA H 4.085 0.01 . 414 45 45 SER HB2 H 3.981 0.01 . 415 45 45 SER HB3 H 3.678 0.01 . 416 45 45 SER CA C 57.503 0.01 . 417 45 45 SER CB C 64.64 0.01 . 418 45 45 SER N N 116.732 0.01 . 419 46 46 GLU H H 8.83 0.01 . 420 46 46 GLU HA H 3.812 0.01 . 421 46 46 GLU HB2 H 1.905 0.01 . 422 46 46 GLU HB3 H 1.831 0.01 . 423 46 46 GLU HG2 H 2.184 0.01 . 424 46 46 GLU HG3 H 2.062 0.01 . 425 46 46 GLU CA C 59.833 0.01 . 426 46 46 GLU CB C 29.746 0.01 . 427 46 46 GLU CG C 36.56 0.01 . 428 46 46 GLU N N 123.756 0.01 . 429 47 47 GLY H H 8.5 0.01 . 430 47 47 GLY HA2 H 3.526 0.01 . 431 47 47 GLY HA3 H 3.675 0.01 . 432 47 47 GLY CA C 46.942 0.01 . 433 47 47 GLY N N 105.309 0.01 . 434 48 48 LEU H H 7.418 0.01 . 435 48 48 LEU HA H 3.708 0.01 . 436 48 48 LEU HB2 H 1.51 0.01 . 437 48 48 LEU HB3 H 1.078 0.01 . 438 48 48 LEU HG H 1.02 0.01 . 439 48 48 LEU HD1 H 0.316 0.01 . 440 48 48 LEU HD2 H 0.585 0.01 . 441 48 48 LEU CA C 58.741 0.01 . 442 48 48 LEU CB C 41.626 0.01 . 443 48 48 LEU CG C 27.945 0.01 . 444 48 48 LEU CD1 C 24.234 0.01 . 445 48 48 LEU CD2 C 26.505 0.01 . 446 48 48 LEU N N 124.642 0.01 . 447 49 49 GLU H H 8.134 0.01 . 448 49 49 GLU HA H 3.286 0.01 . 449 49 49 GLU HB2 H 1.995 0.01 . 450 49 49 GLU HB3 H 1.779 0.01 . 451 49 49 GLU HG2 H 2.551 0.01 . 452 49 49 GLU HG3 H 2.5 0.01 . 453 49 49 GLU CA C 62.018 0.01 . 454 49 49 GLU CB C 29.609 0.01 . 455 49 49 GLU CG C 38.13 0.01 . 456 49 49 GLU N N 118.015 0.01 . 457 50 50 GLN H H 7.976 0.01 . 458 50 50 GLN HA H 3.596 0.01 . 459 50 50 GLN HB2 H 1.825 0.01 . 460 50 50 GLN HB3 H 1.695 0.01 . 461 50 50 GLN HG2 H 2.149 0.01 . 462 50 50 GLN HG3 H 2.148 0.01 . 463 50 50 GLN HE21 H 6.563 0.01 . 464 50 50 GLN HE22 H 7.289 0.01 . 465 50 50 GLN CA C 58.523 0.01 . 466 50 50 GLN CB C 28.444 0.01 . 467 50 50 GLN CG C 33.8 0.01 . 468 50 50 GLN N N 113.9 0.01 . 469 50 50 GLN NE2 N 112.952 0.01 . 470 51 51 HIS H H 6.921 0.01 . 471 51 51 HIS HA H 3.869 0.01 . 472 51 51 HIS HB2 H 2.141 0.01 . 473 51 51 HIS HB3 H 1.828 0.01 . 474 51 51 HIS HD2 H 6.72 0.01 . 475 51 51 HIS HE1 H 7.962 0.01 . 476 51 51 HIS CA C 58.377 0.01 . 477 51 51 HIS CB C 29.39 0.01 . 478 51 51 HIS CD2 C 117.765 0.01 . 479 51 51 HIS CE1 C 136.801 0.01 . 480 51 51 HIS N N 113.828 0.01 . 481 52 52 LEU H H 7.247 0.01 . 482 52 52 LEU HA H 4.23 0.01 . 483 52 52 LEU HB2 H 1.69 0.01 . 484 52 52 LEU HB3 H 1.17 0.01 . 485 52 52 LEU HG H 1.437 0.01 . 486 52 52 LEU HD1 H 0.459 0.01 . 487 52 52 LEU HD2 H 0.6 0.01 . 488 52 52 LEU CA C 55.172 0.01 . 489 52 52 LEU CB C 44.029 0.01 . 490 52 52 LEU CG C 26.36 0.01 . 491 52 52 LEU CD1 C 23.66 0.01 . 492 52 52 LEU CD2 C 27 0.01 . 493 52 52 LEU N N 118.722 0.01 . 494 53 53 LEU H H 6.912 0.01 . 495 53 53 LEU HA H 3.336 0.01 . 496 53 53 LEU HB2 H 1.331 0.01 . 497 53 53 LEU HB3 H 1.184 0.01 . 498 53 53 LEU HG H 1.447 0.01 . 499 53 53 LEU HD1 H 0.462 0.01 . 500 53 53 LEU HD2 H 0.626 0.01 . 501 53 53 LEU CA C 56.775 0.01 . 502 53 53 LEU CB C 42.209 0.01 . 503 53 53 LEU CG C 26.357 0.01 . 504 53 53 LEU CD1 C 23.615 0.01 . 505 53 53 LEU CD2 C 25.246 0.01 . 506 53 53 LEU N N 118.011 0.01 . 507 54 54 GLY H H 8.874 0.01 . 508 54 54 GLY HA2 H 3.44 0.01 . 509 54 54 GLY HA3 H 4.105 0.01 . 510 54 54 GLY CA C 45.267 0.01 . 511 54 54 GLY N N 110.875 0.01 . 512 55 55 LEU H H 7.441 0.01 . 513 55 55 LEU HA H 4.26 0.01 . 514 55 55 LEU HB2 H 1.646 0.01 . 515 55 55 LEU HB3 H 1.479 0.01 . 516 55 55 LEU HG H 1.178 0.01 . 517 55 55 LEU HD1 H 0.684 0.01 . 518 55 55 LEU HD2 H 0.761 0.01 . 519 55 55 LEU CA C 55.755 0.01 . 520 55 55 LEU CB C 42.791 0.01 . 521 55 55 LEU CG C 22.95 0.01 . 522 55 55 LEU CD1 C 22.03 0.01 . 523 55 55 LEU CD2 C 22.32 0.01 . 524 55 55 LEU N N 120.722 0.01 . 525 56 56 LYS H H 8.969 0.01 . 526 56 56 LYS HA H 4.615 0.01 . 527 56 56 LYS HB2 H 1.717 0.01 . 528 56 56 LYS HB3 H 1.519 0.01 . 529 56 56 LYS HG2 H 1.384 0.01 . 530 56 56 LYS HG3 H 1.286 0.01 . 531 56 56 LYS HD2 H 1.552 0.01 . 532 56 56 LYS HD3 H 1.551 0.01 . 533 56 56 LYS HE2 H 2.882 0.01 . 534 56 56 LYS HE3 H 2.882 0.01 . 535 56 56 LYS HZ H 6.741 0.01 . 536 56 56 LYS CA C 54.371 0.01 . 537 56 56 LYS CB C 35.362 0.01 . 538 56 56 LYS CG C 24.715 0.01 . 539 56 56 LYS CE C 41.805 0.01 . 540 56 56 LYS N N 119.325 0.01 . 541 57 57 VAL H H 8.337 0.01 . 542 57 57 VAL HA H 3.059 0.01 . 543 57 57 VAL HB H 1.763 0.01 . 544 57 57 VAL HG1 H 0.78 0.01 . 545 57 57 VAL HG2 H 0.847 0.01 . 546 57 57 VAL CA C 66.607 0.01 . 547 57 57 VAL CB C 31.284 0.01 . 548 57 57 VAL CG1 C 21.328 0.01 . 549 57 57 VAL CG2 C 23.386 0.01 . 550 57 57 VAL N N 119.835 0.01 . 551 58 58 GLY H H 8.513 0.01 . 552 58 58 GLY HA2 H 3.814 0.01 . 553 58 58 GLY HA3 H 4.321 0.01 . 554 58 58 GLY CA C 44.83 0.01 . 555 58 58 GLY N N 117.426 0.01 . 556 59 59 ASP H H 8.171 0.01 . 557 59 59 ASP HA H 4.539 0.01 . 558 59 59 ASP HB2 H 3.005 0.01 . 559 59 59 ASP HB3 H 2.482 0.01 . 560 59 59 ASP CA C 55.755 0.01 . 561 59 59 ASP CB C 42.209 0.01 . 562 59 59 ASP N N 122.373 0.01 . 563 60 60 LYS H H 8.094 0.01 . 564 60 60 LYS HA H 5.479 0.01 . 565 60 60 LYS HB2 H 1.809 0.01 . 566 60 60 LYS HB3 H 1.552 0.01 . 567 60 60 LYS HG2 H 1.417 0.01 . 568 60 60 LYS HG3 H 1.163 0.01 . 569 60 60 LYS HD2 H 1.542 0.01 . 570 60 60 LYS HD3 H 1.541 0.01 . 571 60 60 LYS HE2 H 2.771 0.01 . 572 60 60 LYS HE3 H 2.771 0.01 . 573 60 60 LYS CA C 54.444 0.01 . 574 60 60 LYS CB C 35.872 0.01 . 575 60 60 LYS CG C 25.396 0.01 . 576 60 60 LYS CD C 29.844 0.01 . 577 60 60 LYS CE C 42.069 0.01 . 578 60 60 LYS N N 118.821 0.01 . 579 61 61 THR H H 8.841 0.01 . 580 61 61 THR HA H 4.862 0.01 . 581 61 61 THR HB H 4.021 0.01 . 582 61 61 THR HG2 H 1.148 0.01 . 583 61 61 THR CA C 59.979 0.01 . 584 61 61 THR CB C 69.666 0.01 . 585 61 61 THR CG2 C 20.609 0.01 . 586 61 61 THR N N 117.298 0.01 . 587 62 62 THR H H 7.84 0.01 . 588 62 62 THR HA H 5.475 0.01 . 589 62 62 THR HB H 3.994 0.01 . 590 62 62 THR HG2 H 1.131 0.01 . 591 62 62 THR CA C 59.906 0.01 . 592 62 62 THR CB C 71.905 0.01 . 593 62 62 THR CG2 C 21.52 0.01 . 594 62 62 THR N N 120.775 0.01 . 595 63 63 PHE H H 8.031 0.01 . 596 63 63 PHE HA H 4.808 0.01 . 597 63 63 PHE HB2 H 3.178 0.01 . 598 63 63 PHE HB3 H 2.515 0.01 . 599 63 63 PHE HD1 H 6.435 0.01 . 600 63 63 PHE HD2 H 6.435 0.01 . 601 63 63 PHE HE1 H 6.411 0.01 . 602 63 63 PHE HE2 H 6.411 0.01 . 603 63 63 PHE HZ H 6.255 0.01 . 604 63 63 PHE CA C 56.775 0.01 . 605 63 63 PHE CB C 39.514 0.01 . 606 63 63 PHE CD2 C 132.272 0.01 . 607 63 63 PHE CE2 C 129.651 0.01 . 608 63 63 PHE CZ C 128.35 0.01 . 609 63 63 PHE N N 119.424 0.01 . 610 64 64 SER H H 8.694 0.01 . 611 64 64 SER HA H 5.402 0.01 . 612 64 64 SER HB2 H 3.423 0.01 . 613 64 64 SER HB3 H 3.293 0.01 . 614 64 64 SER CA C 56.92 0.01 . 615 64 64 SER CB C 65.223 0.01 . 616 64 64 SER N N 116.163 0.01 . 617 65 65 LEU H H 8.756 0.01 . 618 65 65 LEU HA H 4.724 0.01 . 619 65 65 LEU HB2 H 1.519 0.01 . 620 65 65 LEU HB3 H 1.267 0.01 . 621 65 65 LEU HG H 1.109 0.01 . 622 65 65 LEU HD1 H 0.578 0.01 . 623 65 65 LEU HD2 H 0.717 0.01 . 624 65 65 LEU CA C 63.352 0.01 . 625 65 65 LEU CB C 46.287 0.01 . 626 65 65 LEU CG C 19.005 0.01 . 627 65 65 LEU CD1 C 26.45 0.01 . 628 65 65 LEU CD2 C 23.475 0.01 . 629 65 65 LEU N N 121.877 0.01 . 630 66 66 GLU H H 8.392 0.01 . 631 66 66 GLU HA H 4.416 0.01 . 632 66 66 GLU HB2 H 2.13 0.01 . 633 66 66 GLU HB3 H 1.789 0.01 . 634 66 66 GLU HG2 H 2.292 0.01 . 635 66 66 GLU HG3 H 2.219 0.01 . 636 66 66 GLU CA C 55.027 0.01 . 637 66 66 GLU CB C 28.225 0.01 . 638 66 66 GLU CG C 36.288 0.01 . 639 66 66 GLU N N 121.187 0.01 . 640 67 67 PRO HA H 4.183 0.01 . 641 67 67 PRO HB2 H 1.905 0.01 . 642 67 67 PRO HB3 H 1.66 0.01 . 643 67 67 PRO HG2 H 1.498 0.01 . 644 67 67 PRO HG3 H 1.497 0.01 . 645 67 67 PRO HD2 H 3.622 0.01 . 646 67 67 PRO HD3 H 3.567 0.01 . 647 67 67 PRO CA C 66.388 0.01 . 648 67 67 PRO CB C 32.012 0.01 . 649 67 67 PRO CG C 27.26 0.01 . 650 67 67 PRO CD C 49.719 0.01 . 651 68 68 ASP H H 8.416 0.01 . 652 68 68 ASP HA H 4.067 0.01 . 653 68 68 ASP HB2 H 2.468 0.01 . 654 68 68 ASP HB3 H 2.442 0.01 . 655 68 68 ASP CA C 56.702 0.01 . 656 68 68 ASP CB C 40.242 0.01 . 657 68 68 ASP N N 114.053 0.01 . 658 69 69 ALA H H 7.498 0.01 . 659 69 69 ALA HA H 4.408 0.01 . 660 69 69 ALA HB H 1.329 0.01 . 661 69 69 ALA CA C 51.531 0.01 . 662 69 69 ALA CB C 21.161 0.01 . 663 69 69 ALA N N 121.272 0.01 . 664 70 70 ALA H H 7.485 0.01 . 665 70 70 ALA HA H 4.08 0.01 . 666 70 70 ALA HB H 1.104 0.01 . 667 70 70 ALA CA C 51.458 0.01 . 668 70 70 ALA CB C 18.83 0.01 . 669 70 70 ALA N N 125.277 0.01 . 670 71 71 PHE H H 8.306 0.01 . 671 71 71 PHE HA H 4.19 0.01 . 672 71 71 PHE HB2 H 2.565 0.01 . 673 71 71 PHE HB3 H 1.983 0.01 . 674 71 71 PHE HD1 H 6.731 0.01 . 675 71 71 PHE HD2 H 6.731 0.01 . 676 71 71 PHE HE1 H 6.955 0.01 . 677 71 71 PHE HE2 H 6.955 0.01 . 678 71 71 PHE HZ H 6.8 0.01 . 679 71 71 PHE CA C 58.814 0.01 . 680 71 71 PHE CB C 38.057 0.01 . 681 71 71 PHE CD1 C 131.886 0.01 . 682 71 71 PHE CE1 C 130.582 0.01 . 683 71 71 PHE N N 119.747 0.01 . 684 72 72 GLY H H 8.185 0.01 . 685 72 72 GLY HA2 H 3.567 0.01 . 686 72 72 GLY HA3 H 4.189 0.01 . 687 72 72 GLY CA C 44.539 0.01 . 688 72 72 GLY N N 109.338 0.01 . 689 73 73 VAL H H 8.24 0.01 . 690 73 73 VAL HA H 4.237 0.01 . 691 73 73 VAL HB H 2.008 0.01 . 692 73 73 VAL HG1 H 0.778 0.01 . 693 73 73 VAL HG2 H 0.868 0.01 . 694 73 73 VAL CA C 59.761 0.01 . 695 73 73 VAL CB C 32.376 0.01 . 696 73 73 VAL CG1 C 20.005 0.01 . 697 73 73 VAL CG2 C 21.4 0.01 . 698 73 73 VAL N N 117.266 0.01 . 699 74 74 PRO HA H 3.979 0.01 . 700 74 74 PRO HB2 H 2.034 0.01 . 701 74 74 PRO HB3 H 1.647 0.01 . 702 74 74 PRO HG2 H 1.871 0.01 . 703 74 74 PRO HG3 H 1.735 0.01 . 704 74 74 PRO HD2 H 3.617 0.01 . 705 74 74 PRO HD3 H 3.3 0.01 . 706 74 74 PRO CA C 63.256 0.01 . 707 74 74 PRO CB C 31.867 0.01 . 708 74 74 PRO CG C 26.613 0.01 . 709 74 74 PRO CD C 50.85 0.01 . 710 75 75 SER H H 9.282 0.01 . 711 75 75 SER HA H 5.083 0.01 . 712 75 75 SER HB2 H 3.91 0.01 . 713 75 75 SER HB3 H 3.683 0.01 . 714 75 75 SER CA C 53.716 0.01 . 715 75 75 SER CB C 65.369 0.01 . 716 75 75 SER N N 117.459 0.01 . 717 76 76 PRO HA H 4.266 0.01 . 718 76 76 PRO HB2 H 2.249 0.01 . 719 76 76 PRO HB3 H 1.943 0.01 . 720 76 76 PRO HG2 H 1.633 0.01 . 721 76 76 PRO HG3 H 1.633 0.01 . 722 76 76 PRO HD2 H 3.926 0.01 . 723 76 76 PRO HD3 H 3.793 0.01 . 724 76 76 PRO CA C 64.422 0.01 . 725 76 76 PRO CB C 32.085 0.01 . 726 76 76 PRO CG C 33.063 0.01 . 727 76 76 PRO CD C 51.787 0.01 . 728 77 77 ASP H H 7.778 0.01 . 729 77 77 ASP HA H 4.421 0.01 . 730 77 77 ASP HB2 H 2.62 0.01 . 731 77 77 ASP HB3 H 2.342 0.01 . 732 77 77 ASP CA C 55.682 0.01 . 733 77 77 ASP CB C 40.242 0.01 . 734 77 77 ASP N N 116.66 0.01 . 735 78 78 LEU H H 7.194 0.01 . 736 78 78 LEU HA H 4.415 0.01 . 737 78 78 LEU HB2 H 1.66 0.01 . 738 78 78 LEU HB3 H 1.621 0.01 . 739 78 78 LEU HG H 1.426 0.01 . 740 78 78 LEU HD1 H 0.65 0.01 . 741 78 78 LEU HD2 H 0.799 0.01 . 742 78 78 LEU CA C 54.444 0.01 . 743 78 78 LEU CB C 42.063 0.01 . 744 78 78 LEU CG C 27 0.01 . 745 78 78 LEU CD1 C 22.667 0.01 . 746 78 78 LEU CD2 C 25.63 0.01 . 747 78 78 LEU N N 118.72 0.01 . 748 79 79 ILE H H 7.077 0.01 . 749 79 79 ILE HA H 4.646 0.01 . 750 79 79 ILE HB H 1.752 0.01 . 751 79 79 ILE HG12 H 1.285 0.01 . 752 79 79 ILE HG13 H 0.832 0.01 . 753 79 79 ILE HG2 H 0.38 0.01 . 754 79 79 ILE HD1 H 0.616 0.01 . 755 79 79 ILE CA C 61.144 0.01 . 756 79 79 ILE CB C 37.183 0.01 . 757 79 79 ILE CG1 C 27.856 0.01 . 758 79 79 ILE CG2 C 17.76 0.01 . 759 79 79 ILE CD1 C 12.684 0.01 . 760 79 79 ILE N N 122.393 0.01 . 761 80 80 GLN H H 8.838 0.01 . 762 80 80 GLN HA H 4.302 0.01 . 763 80 80 GLN HB2 H 1.766 0.01 . 764 80 80 GLN HB3 H 1.507 0.01 . 765 80 80 GLN HG2 H 2.129 0.01 . 766 80 80 GLN HG3 H 2.043 0.01 . 767 80 80 GLN HE21 H 6.633 0.01 . 768 80 80 GLN HE22 H 7.061 0.01 . 769 80 80 GLN CA C 53.716 0.01 . 770 80 80 GLN CB C 33.979 0.01 . 771 80 80 GLN N N 126.448 0.01 . 772 80 80 GLN NE2 N 110.075 0.01 . 773 81 81 TYR H H 7.951 0.01 . 774 81 81 TYR HA H 5.226 0.01 . 775 81 81 TYR HB2 H 2.703 0.01 . 776 81 81 TYR HB3 H 2.514 0.01 . 777 81 81 TYR HD1 H 6.892 0.01 . 778 81 81 TYR HD2 H 6.892 0.01 . 779 81 81 TYR HE1 H 6.619 0.01 . 780 81 81 TYR HE2 H 6.619 0.01 . 781 81 81 TYR CA C 56.629 0.01 . 782 81 81 TYR CB C 39.878 0.01 . 783 81 81 TYR CD1 C 133.313 0.01 . 784 81 81 TYR CE1 C 118.218 0.01 . 785 81 81 TYR N N 119.494 0.01 . 786 82 82 PHE H H 9.161 0.01 . 787 82 82 PHE HA H 4.774 0.01 . 788 82 82 PHE HB2 H 3.181 0.01 . 789 82 82 PHE HB3 H 2.519 0.01 . 790 82 82 PHE HD1 H 6.99 0.01 . 791 82 82 PHE HD2 H 6.99 0.01 . 792 82 82 PHE HE1 H 7.049 0.01 . 793 82 82 PHE HE2 H 7.049 0.01 . 794 82 82 PHE HZ H 6.96 0.01 . 795 82 82 PHE CA C 56.483 0.01 . 796 82 82 PHE CB C 43.738 0.01 . 797 82 82 PHE CD2 C 131.65 0.01 . 798 82 82 PHE CE2 C 131.217 0.01 . 799 82 82 PHE CZ C 129.452 0.01 . 800 82 82 PHE N N 122.579 0.01 . 801 83 83 SER H H 9.009 0.01 . 802 83 83 SER HA H 5.034 0.01 . 803 83 83 SER HB2 H 4.022 0.01 . 804 83 83 SER HB3 H 3.815 0.01 . 805 83 83 SER CA C 57.357 0.01 . 806 83 83 SER CB C 64.495 0.01 . 807 83 83 SER N N 117.269 0.01 . 808 84 84 ARG H H 8.819 0.01 . 809 84 84 ARG HA H 4.603 0.01 . 810 84 84 ARG HB2 H 1.848 0.01 . 811 84 84 ARG HB3 H 1.674 0.01 . 812 84 84 ARG HG2 H 1.507 0.01 . 813 84 84 ARG HG3 H 1.506 0.01 . 814 84 84 ARG HD2 H 2.634 0.01 . 815 84 84 ARG HD3 H 2.529 0.01 . 816 84 84 ARG HE H 7.415 0.01 . 817 84 84 ARG CA C 59.761 0.01 . 818 84 84 ARG CB C 30.41 0.01 . 819 84 84 ARG CG C 28.015 0.01 . 820 84 84 ARG CD C 42.492 0.01 . 821 84 84 ARG N N 127.375 0.01 . 822 84 84 ARG NE N 84.114 0.01 . 823 85 85 ARG H H 8.539 0.01 . 824 85 85 ARG HA H 4.039 0.01 . 825 85 85 ARG HB2 H 1.765 0.01 . 826 85 85 ARG HB3 H 1.764 0.01 . 827 85 85 ARG HG2 H 1.568 0.01 . 828 85 85 ARG HG3 H 1.567 0.01 . 829 85 85 ARG HD2 H 3.089 0.01 . 830 85 85 ARG HD3 H 3.088 0.01 . 831 85 85 ARG HE H 7.195 0.01 . 832 85 85 ARG CA C 58.523 0.01 . 833 85 85 ARG CB C 29.973 0.01 . 834 85 85 ARG CG C 27.23 0.01 . 835 85 85 ARG CD C 43.45 0.01 . 836 85 85 ARG N N 118.944 0.01 . 837 85 85 ARG NE N 84.82 0.01 . 838 86 86 GLU H H 7.732 0.01 . 839 86 86 GLU HA H 4.091 0.01 . 840 86 86 GLU HB2 H 1.988 0.01 . 841 86 86 GLU HB3 H 1.987 0.01 . 842 86 86 GLU HG2 H 2.16 0.01 . 843 86 86 GLU HG3 H 2.159 0.01 . 844 86 86 GLU CA C 57.576 0.01 . 845 86 86 GLU CB C 29.9 0.01 . 846 86 86 GLU CG C 37.302 0.01 . 847 86 86 GLU N N 117.835 0.01 . 848 87 87 PHE H H 7.644 0.01 . 849 87 87 PHE HA H 4.456 0.01 . 850 87 87 PHE HB2 H 3.209 0.01 . 851 87 87 PHE HB3 H 2.828 0.01 . 852 87 87 PHE HD1 H 7.17 0.01 . 853 87 87 PHE HD2 H 7.17 0.01 . 854 87 87 PHE HE1 H 7.054 0.01 . 855 87 87 PHE HE2 H 7.054 0.01 . 856 87 87 PHE HZ H 6.862 0.01 . 857 87 87 PHE CA C 58.013 0.01 . 858 87 87 PHE CB C 39.587 0.01 . 859 87 87 PHE CD2 C 132.088 0.01 . 860 87 87 PHE CE2 C 131.765 0.01 . 861 87 87 PHE CZ C 129.077 0.01 . 862 87 87 PHE N N 118.936 0.01 . 863 88 88 MET H H 7.849 0.01 . 864 88 88 MET HA H 4.241 0.01 . 865 88 88 MET HB2 H 1.959 0.01 . 866 88 88 MET HB3 H 1.877 0.01 . 867 88 88 MET HG2 H 2.465 0.01 . 868 88 88 MET HG3 H 2.412 0.01 . 869 88 88 MET HE H 1.93 0.01 . 870 88 88 MET CA C 56.993 0.01 . 871 88 88 MET CB C 32.595 0.01 . 872 88 88 MET CG C 32.087 0.01 . 873 88 88 MET CE C 17.1 0.01 . 874 88 88 MET N N 120.753 0.01 . 875 89 89 ASP H H 8.11 0.01 . 876 89 89 ASP HA H 4.395 0.01 . 877 89 89 ASP HB2 H 2.564 0.01 . 878 89 89 ASP HB3 H 2.421 0.01 . 879 89 89 ASP CA C 55.391 0.01 . 880 89 89 ASP CB C 41.116 0.01 . 881 89 89 ASP N N 120.234 0.01 . 882 90 90 ALA H H 7.867 0.01 . 883 90 90 ALA HA H 4.231 0.01 . 884 90 90 ALA HB H 1.232 0.01 . 885 90 90 ALA CA C 52.528 0.01 . 886 90 90 ALA CB C 19.777 0.01 . 887 90 90 ALA N N 122.71 0.01 . 888 91 91 GLY H H 7.865 0.01 . 889 91 91 GLY HA2 H 3.72 0.01 . 890 91 91 GLY HA3 H 3.908 0.01 . 891 91 91 GLY CA C 44.539 0.01 . 892 91 91 GLY N N 107.832 0.01 . 893 92 92 GLU H H 8.188 0.01 . 894 92 92 GLU HA H 4.275 0.01 . 895 92 92 GLU HB2 H 1.786 0.01 . 896 92 92 GLU HB3 H 1.683 0.01 . 897 92 92 GLU HG2 H 2.097 0.01 . 898 92 92 GLU HG3 H 2.096 0.01 . 899 92 92 GLU CA C 54.226 0.01 . 900 92 92 GLU CB C 30.119 0.01 . 901 92 92 GLU CG C 35.811 0.01 . 902 92 92 GLU N N 121.294 0.01 . 903 93 93 PRO HA H 4.136 0.01 . 904 93 93 PRO HB2 H 1.486 0.01 . 905 93 93 PRO HB3 H 1.483 0.01 . 906 93 93 PRO HG2 H 1.367 0.01 . 907 93 93 PRO HG3 H 1.66 0.01 . 908 93 93 PRO HD2 H 3.503 0.01 . 909 93 93 PRO HD3 H 3.429 0.01 . 910 93 93 PRO CA C 62.747 0.01 . 911 93 93 PRO CB C 32.012 0.01 . 912 93 93 PRO CG C 27.19 0.01 . 913 93 93 PRO CD C 50.152 0.01 . 914 94 94 GLU H H 7.285 0.01 . 915 94 94 GLU HA H 4.273 0.01 . 916 94 94 GLU HB2 H 1.775 0.01 . 917 94 94 GLU HB3 H 1.625 0.01 . 918 94 94 GLU HG2 H 2.096 0.01 . 919 94 94 GLU HG3 H 2.024 0.01 . 920 94 94 GLU CA C 54.663 0.01 . 921 94 94 GLU CB C 32.595 0.01 . 922 94 94 GLU CG C 35.794 0.01 . 923 94 94 GLU N N 120.544 0.01 . 924 95 95 ILE H H 8.427 0.01 . 925 95 95 ILE HA H 3.317 0.01 . 926 95 95 ILE HB H 1.643 0.01 . 927 95 95 ILE HG12 H 1.438 0.01 . 928 95 95 ILE HG13 H 0.985 0.01 . 929 95 95 ILE HG2 H 0.735 0.01 . 930 95 95 ILE HD1 H 0.675 0.01 . 931 95 95 ILE CA C 62.892 0.01 . 932 95 95 ILE CB C 36.673 0.01 . 933 95 95 ILE CG1 C 28.263 0.01 . 934 95 95 ILE CG2 C 17.49 0.01 . 935 95 95 ILE CD1 C 12.105 0.01 . 936 95 95 ILE N N 123.515 0.01 . 937 96 96 GLY H H 9.143 0.01 . 938 96 96 GLY HA2 H 3.304 0.01 . 939 96 96 GLY HA3 H 4.19 0.01 . 940 96 96 GLY CA C 44.83 0.01 . 941 96 96 GLY N N 117.075 0.01 . 942 97 97 ALA H H 7.747 0.01 . 943 97 97 ALA HA H 4.183 0.01 . 944 97 97 ALA HB H 1.34 0.01 . 945 97 97 ALA CA C 52.332 0.01 . 946 97 97 ALA CB C 20.287 0.01 . 947 97 97 ALA N N 124.048 0.01 . 948 98 98 ILE H H 8.031 0.01 . 949 98 98 ILE HA H 4.723 0.01 . 950 98 98 ILE HB H 1.505 0.01 . 951 98 98 ILE HG12 H 0.866 0.01 . 952 98 98 ILE HG13 H 1.463 0.01 . 953 98 98 ILE HG2 H 0.612 0.01 . 954 98 98 ILE HD1 H 0.658 0.01 . 955 98 98 ILE CA C 60.052 0.01 . 956 98 98 ILE CB C 39.004 0.01 . 957 98 98 ILE CG1 C 28.252 0.01 . 958 98 98 ILE CG2 C 17.748 0.01 . 959 98 98 ILE CD1 C 13.253 0.01 . 960 98 98 ILE N N 120.131 0.01 . 961 99 99 MET H H 8.875 0.01 . 962 99 99 MET HA H 4.489 0.01 . 963 99 99 MET HB2 H 1.635 0.01 . 964 99 99 MET HB3 H 1.472 0.01 . 965 99 99 MET HG2 H 2.054 0.01 . 966 99 99 MET HG3 H 2.053 0.01 . 967 99 99 MET HE H 1.58 0.01 . 968 99 99 MET CA C 53.934 0.01 . 969 99 99 MET CB C 36.601 0.01 . 970 99 99 MET CG C 32.232 0.01 . 971 99 99 MET CE C 17.45 0.01 . 972 99 99 MET N N 127.388 0.01 . 973 100 100 LEU H H 8.165 0.01 . 974 100 100 LEU HA H 4.516 0.01 . 975 100 100 LEU HB2 H 1.412 0.01 . 976 100 100 LEU HB3 H 1.126 0.01 . 977 100 100 LEU HG H 1.355 0.01 . 978 100 100 LEU HD1 H 0.567 0.01 . 979 100 100 LEU HD2 H 0.653 0.01 . 980 100 100 LEU CA C 54.226 0.01 . 981 100 100 LEU CB C 42.573 0.01 . 982 100 100 LEU CG C 26.907 0.01 . 983 100 100 LEU CD1 C 23.488 0.01 . 984 100 100 LEU CD2 C 24.7 0.01 . 985 100 100 LEU N N 122.917 0.01 . 986 101 101 PHE H H 8.467 0.01 . 987 101 101 PHE HA H 4.527 0.01 . 988 101 101 PHE HB2 H 2.871 0.01 . 989 101 101 PHE HB3 H 2.842 0.01 . 990 101 101 PHE HD1 H 6.906 0.01 . 991 101 101 PHE HD2 H 6.906 0.01 . 992 101 101 PHE HE1 H 6.565 0.01 . 993 101 101 PHE HE2 H 6.565 0.01 . 994 101 101 PHE HZ H 6.565 0.01 . 995 101 101 PHE CA C 56.993 0.01 . 996 101 101 PHE CB C 42.573 0.01 . 997 101 101 PHE CD1 C 132.1 0.01 . 998 101 101 PHE CE1 C 130.827 0.01 . 999 101 101 PHE CZ C 129.003 0.01 . 1000 101 101 PHE N N 124.569 0.01 . 1001 102 102 THR H H 8.398 0.01 . 1002 102 102 THR HA H 4.534 0.01 . 1003 102 102 THR HB H 3.814 0.01 . 1004 102 102 THR HG2 H 1.066 0.01 . 1005 102 102 THR CA C 62.528 0.01 . 1006 102 102 THR CB C 69.52 0.01 . 1007 102 102 THR CG2 C 21.702 0.01 . 1008 102 102 THR N N 119.655 0.01 . 1009 103 103 ALA H H 8.777 0.01 . 1010 103 103 ALA HA H 4.282 0.01 . 1011 103 103 ALA HB H 1.229 0.01 . 1012 103 103 ALA CA C 51.458 0.01 . 1013 103 103 ALA CB C 20.432 0.01 . 1014 103 103 ALA N N 130.657 0.01 . 1015 104 104 MET H H 8.734 0.01 . 1016 104 104 MET HA H 4.038 0.01 . 1017 104 104 MET HB2 H 1.945 0.01 . 1018 104 104 MET HB3 H 1.944 0.01 . 1019 104 104 MET HG2 H 2.539 0.01 . 1020 104 104 MET HG3 H 2.462 0.01 . 1021 104 104 MET HE H 1.96 0.01 . 1022 104 104 MET CA C 58.523 0.01 . 1023 104 104 MET CB C 32.085 0.01 . 1024 104 104 MET CG C 32.227 0.01 . 1025 104 104 MET CE C 17.31 0.01 . 1026 104 104 MET N N 120.712 0.01 . 1027 105 105 ASP H H 7.772 0.01 . 1028 105 105 ASP HA H 4.371 0.01 . 1029 105 105 ASP HB2 H 2.921 0.01 . 1030 105 105 ASP HB3 H 2.445 0.01 . 1031 105 105 ASP CA C 53.497 0.01 . 1032 105 105 ASP CB C 40.024 0.01 . 1033 105 105 ASP N N 116.253 0.01 . 1034 106 106 GLY H H 8.071 0.01 . 1035 106 106 GLY HA2 H 3.389 0.01 . 1036 106 106 GLY HA3 H 4.172 0.01 . 1037 106 106 GLY CA C 45.049 0.01 . 1038 106 106 GLY N N 109.239 0.01 . 1039 107 107 SER H H 8.037 0.01 . 1040 107 107 SER HA H 4.212 0.01 . 1041 107 107 SER HB2 H 3.758 0.01 . 1042 107 107 SER HB3 H 3.685 0.01 . 1043 107 107 SER CA C 58.959 0.01 . 1044 107 107 SER CB C 64.13 0.01 . 1045 107 107 SER N N 118.52 0.01 . 1046 108 108 GLU H H 8.404 0.01 . 1047 108 108 GLU HA H 4.823 0.01 . 1048 108 108 GLU HB2 H 1.789 0.01 . 1049 108 108 GLU HB3 H 1.724 0.01 . 1050 108 108 GLU HG2 H 2.057 0.01 . 1051 108 108 GLU HG3 H 1.917 0.01 . 1052 108 108 GLU CA C 55.755 0.01 . 1053 108 108 GLU CB C 31.721 0.01 . 1054 108 108 GLU CG C 37.157 0.01 . 1055 108 108 GLU N N 121.889 0.01 . 1056 109 109 MET H H 8.997 0.01 . 1057 109 109 MET HA H 4.951 0.01 . 1058 109 109 MET HB2 H 1.95 0.01 . 1059 109 109 MET HB3 H 1.739 0.01 . 1060 109 109 MET HG2 H 2.268 0.01 . 1061 109 109 MET HG3 H 2.268 0.01 . 1062 109 109 MET HE H 1.59 0.01 . 1063 109 109 MET CA C 52.987 0.01 . 1064 109 109 MET CB C 36.236 0.01 . 1065 109 109 MET CG C 31.408 0.01 . 1066 109 109 MET CE C 16.65 0.01 . 1067 109 109 MET N N 124.698 0.01 . 1068 110 110 PRO HA H 5.057 0.01 . 1069 110 110 PRO HB2 H 1.932 0.01 . 1070 110 110 PRO HB3 H 1.736 0.01 . 1071 110 110 PRO HG2 H 2.085 0.01 . 1072 110 110 PRO HG3 H 1.865 0.01 . 1073 110 110 PRO HD2 H 3.766 0.01 . 1074 110 110 PRO HD3 H 3.634 0.01 . 1075 110 110 PRO CA C 62.091 0.01 . 1076 110 110 PRO CB C 31.939 0.01 . 1077 110 110 PRO CG C 27.403 0.01 . 1078 110 110 PRO CD C 50.97 0.01 . 1079 111 111 GLY H H 9.167 0.01 . 1080 111 111 GLY HA2 H 2.561 0.01 . 1081 111 111 GLY HA3 H 4.328 0.01 . 1082 111 111 GLY CA C 44.685 0.01 . 1083 111 111 GLY N N 112.135 0.01 . 1084 112 112 VAL H H 7.839 0.01 . 1085 112 112 VAL HA H 4.678 0.01 . 1086 112 112 VAL HB H 1.648 0.01 . 1087 112 112 VAL HG1 H 0.711 0.01 . 1088 112 112 VAL HG2 H 0.625 0.01 . 1089 112 112 VAL CA C 59.833 0.01 . 1090 112 112 VAL CB C 34.66 0.01 . 1091 112 112 VAL CG1 C 21.883 0.01 . 1092 112 112 VAL CG2 C 20.88 0.01 . 1093 112 112 VAL N N 120.753 0.01 . 1094 113 113 ILE H H 8.57 0.01 . 1095 113 113 ILE HA H 3.914 0.01 . 1096 113 113 ILE HB H 2.155 0.01 . 1097 113 113 ILE HG12 H 1.428 0.01 . 1098 113 113 ILE HG13 H 0.987 0.01 . 1099 113 113 ILE HG2 H 0.482 0.01 . 1100 113 113 ILE HD1 H 0.725 0.01 . 1101 113 113 ILE CA C 61.85 0.01 . 1102 113 113 ILE CB C 36.164 0.01 . 1103 113 113 ILE CG1 C 28.163 0.01 . 1104 113 113 ILE CG2 C 18.175 0.01 . 1105 113 113 ILE CD1 C 13.113 0.01 . 1106 113 113 ILE N N 127.489 0.01 . 1107 114 114 ARG H H 8.803 0.01 . 1108 114 114 ARG HA H 4.232 0.01 . 1109 114 114 ARG HB2 H 1.735 0.01 . 1110 114 114 ARG HB3 H 1.566 0.01 . 1111 114 114 ARG HG2 H 1.416 0.01 . 1112 114 114 ARG HG3 H 1.415 0.01 . 1113 114 114 ARG HD2 H 3.051 0.01 . 1114 114 114 ARG HD3 H 2.96 0.01 . 1115 114 114 ARG HE H 7.525 0.01 . 1116 114 114 ARG CA C 55.973 0.01 . 1117 114 114 ARG CB C 32.886 0.01 . 1118 114 114 ARG CG C 32.75 0.01 . 1119 114 114 ARG CD C 43.321 0.01 . 1120 114 114 ARG N N 129.39 0.01 . 1121 114 114 ARG NE N 84.325 0.01 . 1122 115 115 GLU H H 7.303 0.01 . 1123 115 115 GLU HA H 4.383 0.01 . 1124 115 115 GLU HB2 H 1.831 0.01 . 1125 115 115 GLU HB3 H 1.829 0.01 . 1126 115 115 GLU HG2 H 2.097 0.01 . 1127 115 115 GLU HG3 H 2.009 0.01 . 1128 115 115 GLU CA C 55.755 0.01 . 1129 115 115 GLU CB C 34.27 0.01 . 1130 115 115 GLU CG C 36.74 0.01 . 1131 115 115 GLU N N 115.554 0.01 . 1132 116 116 ILE H H 8.546 0.01 . 1133 116 116 ILE HA H 4.249 0.01 . 1134 116 116 ILE HB H 1.504 0.01 . 1135 116 116 ILE HG12 H 1.192 0.01 . 1136 116 116 ILE HG13 H 1.191 0.01 . 1137 116 116 ILE HG2 H 0.666 0.01 . 1138 116 116 ILE HD1 H 0.585 0.01 . 1139 116 116 ILE CA C 61.8 0.01 . 1140 116 116 ILE CB C 40.898 0.01 . 1141 116 116 ILE CG1 C 27.857 0.01 . 1142 116 116 ILE CG2 C 17.344 0.01 . 1143 116 116 ILE CD1 C 14.461 0.01 . 1144 116 116 ILE N N 123.985 0.01 . 1145 117 117 ASN H H 8.636 0.01 . 1146 117 117 ASN HA H 4.888 0.01 . 1147 117 117 ASN HB2 H 2.604 0.01 . 1148 117 117 ASN HB3 H 2.537 0.01 . 1149 117 117 ASN HD21 H 6.906 0.01 . 1150 117 117 ASN HD22 H 7.651 0.01 . 1151 117 117 ASN CA C 51.822 0.01 . 1152 117 117 ASN CB C 40.096 0.01 . 1153 117 117 ASN N N 126.815 0.01 . 1154 117 117 ASN ND2 N 115.145 0.01 . 1155 118 118 GLY H H 8.89 0.01 . 1156 118 118 GLY HA2 H 3.491 0.01 . 1157 118 118 GLY HA3 H 3.815 0.01 . 1158 118 118 GLY CA C 47.525 0.01 . 1159 118 118 GLY N N 115.018 0.01 . 1160 119 119 ASP H H 8.721 0.01 . 1161 119 119 ASP HA H 4.598 0.01 . 1162 119 119 ASP HB2 H 2.624 0.01 . 1163 119 119 ASP HB3 H 2.527 0.01 . 1164 119 119 ASP CA C 52.696 0.01 . 1165 119 119 ASP CB C 44.029 0.01 . 1166 119 119 ASP N N 125.794 0.01 . 1167 120 120 SER H H 7.823 0.01 . 1168 120 120 SER HA H 4.914 0.01 . 1169 120 120 SER HB2 H 3.763 0.01 . 1170 120 120 SER HB3 H 3.623 0.01 . 1171 120 120 SER CA C 57.721 0.01 . 1172 120 120 SER CB C 64.859 0.01 . 1173 120 120 SER N N 114.265 0.01 . 1174 121 121 ILE H H 9.352 0.01 . 1175 121 121 ILE HA H 4.613 0.01 . 1176 121 121 ILE HB H 1.72 0.01 . 1177 121 121 ILE HG12 H 1.285 0.01 . 1178 121 121 ILE HG13 H 0.959 0.01 . 1179 121 121 ILE HG2 H 0.657 0.01 . 1180 121 121 ILE HD1 H 0.457 0.01 . 1181 121 121 ILE CA C 59.979 0.01 . 1182 121 121 ILE CB C 40.388 0.01 . 1183 121 121 ILE CG1 C 27.71 0.01 . 1184 121 121 ILE CG2 C 18.999 0.01 . 1185 121 121 ILE CD1 C 13.413 0.01 . 1186 121 121 ILE N N 127.857 0.01 . 1187 122 122 THR H H 8.68 0.01 . 1188 122 122 THR HA H 4.529 0.01 . 1189 122 122 THR HB H 3.815 0.01 . 1190 122 122 THR HG2 H 0.758 0.01 . 1191 122 122 THR CA C 62.31 0.01 . 1192 122 122 THR CB C 69.156 0.01 . 1193 122 122 THR CG2 C 22.118 0.01 . 1194 122 122 THR N N 124.222 0.01 . 1195 123 123 VAL H H 9.157 0.01 . 1196 123 123 VAL HA H 4.234 0.01 . 1197 123 123 VAL HB H 1.272 0.01 . 1198 123 123 VAL HG1 H -0.492 0.01 . 1199 123 123 VAL HG2 H 0.335 0.01 . 1200 123 123 VAL CA C 61.072 0.01 . 1201 123 123 VAL CB C 34.124 0.01 . 1202 123 123 VAL CG1 C 21.654 0.01 . 1203 123 123 VAL CG2 C 22.545 0.01 . 1204 123 123 VAL N N 130.67 0.01 . 1205 124 124 ASP H H 8.646 0.01 . 1206 124 124 ASP HA H 4.948 0.01 . 1207 124 124 ASP HB2 H 2.816 0.01 . 1208 124 124 ASP HB3 H 2.02 0.01 . 1209 124 124 ASP CA C 52.113 0.01 . 1210 124 124 ASP CB C 44.029 0.01 . 1211 124 124 ASP N N 125.276 0.01 . 1212 125 125 PHE H H 9.339 0.01 . 1213 125 125 PHE HA H 4.691 0.01 . 1214 125 125 PHE HB2 H 3.416 0.01 . 1215 125 125 PHE HB3 H 2.946 0.01 . 1216 125 125 PHE HD1 H 7.066 0.01 . 1217 125 125 PHE HD2 H 7.066 0.01 . 1218 125 125 PHE HE1 H 6.985 0.01 . 1219 125 125 PHE HE2 H 6.985 0.01 . 1220 125 125 PHE HZ H 6.322 0.01 . 1221 125 125 PHE CA C 58.595 0.01 . 1222 125 125 PHE CB C 39.368 0.01 . 1223 125 125 PHE CD2 C 132.274 0.01 . 1224 125 125 PHE CE2 C 130.893 0.01 . 1225 125 125 PHE CZ C 128.869 0.01 . 1226 125 125 PHE N N 125.846 0.01 . 1227 126 126 ASN H H 8.846 0.01 . 1228 126 126 ASN HA H 4.245 0.01 . 1229 126 126 ASN HB2 H 3.13 0.01 . 1230 126 126 ASN HB3 H 2.169 0.01 . 1231 126 126 ASN HD21 H 7.067 0.01 . 1232 126 126 ASN HD22 H 8.993 0.01 . 1233 126 126 ASN CA C 55.172 0.01 . 1234 126 126 ASN CB C 39.587 0.01 . 1235 126 126 ASN N N 120.703 0.01 . 1236 126 126 ASN ND2 N 119.401 0.01 . 1237 127 127 HIS H H 9.02 0.01 . 1238 127 127 HIS HA H 4.308 0.01 . 1239 127 127 HIS HB2 H 3.223 0.01 . 1240 127 127 HIS HB3 H 2.71 0.01 . 1241 127 127 HIS HD2 H 7.082 0.01 . 1242 127 127 HIS HE1 H 6.512 0.01 . 1243 127 127 HIS CA C 57.357 0.01 . 1244 127 127 HIS CB C 31.43 0.01 . 1245 127 127 HIS CD2 C 118.21 0.01 . 1246 127 127 HIS CE1 C 137.554 0.01 . 1247 127 127 HIS N N 124.877 0.01 . 1248 128 128 PRO HA H 4.088 0.01 . 1249 128 128 PRO HB2 H 2.102 0.01 . 1250 128 128 PRO HB3 H 1.557 0.01 . 1251 128 128 PRO HG2 H 1.594 0.01 . 1252 128 128 PRO HG3 H 1.51 0.01 . 1253 128 128 PRO HD2 H 3.293 0.01 . 1254 128 128 PRO HD3 H 2.01 0.01 . 1255 128 128 PRO CA C 64.798 0.01 . 1256 128 128 PRO CB C 32.186 0.01 . 1257 128 128 PRO CG C 27.811 0.01 . 1258 128 128 PRO CD C 50.71 0.01 . 1259 129 129 LEU H H 11.208 0.01 . 1260 129 129 LEU HA H 4.321 0.01 . 1261 129 129 LEU HB2 H 1.265 0.01 . 1262 129 129 LEU HB3 H 1.215 0.01 . 1263 129 129 LEU HG H 1.284 0.01 . 1264 129 129 LEU HD1 H 0.535 0.01 . 1265 129 129 LEU HD2 H 0.324 0.01 . 1266 129 129 LEU CA C 53.497 0.01 . 1267 129 129 LEU CB C 41.189 0.01 . 1268 129 129 LEU CD1 C 23.199 0.01 . 1269 129 129 LEU CD2 C 25.943 0.01 . 1270 129 129 LEU N N 120.037 0.01 . 1271 130 130 ALA H H 8.233 0.01 . 1272 130 130 ALA HA H 4.008 0.01 . 1273 130 130 ALA HB H 1.162 0.01 . 1274 130 130 ALA CA C 53.789 0.01 . 1275 130 130 ALA CB C 18.102 0.01 . 1276 130 130 ALA N N 125.872 0.01 . 1277 131 131 GLY H H 9.332 0.01 . 1278 131 131 GLY HA2 H 3.652 0.01 . 1279 131 131 GLY HA3 H 4.13 0.01 . 1280 131 131 GLY CA C 45.559 0.01 . 1281 131 131 GLY N N 109.16 0.01 . 1282 132 132 GLN H H 7.434 0.01 . 1283 132 132 GLN HA H 4.515 0.01 . 1284 132 132 GLN HB2 H 1.928 0.01 . 1285 132 132 GLN HB3 H 1.761 0.01 . 1286 132 132 GLN HG2 H 2.045 0.01 . 1287 132 132 GLN HG3 H 2.044 0.01 . 1288 132 132 GLN HE21 H 6.727 0.01 . 1289 132 132 GLN HE22 H 7.44 0.01 . 1290 132 132 GLN CA C 54.735 0.01 . 1291 132 132 GLN CB C 29.318 0.01 . 1292 132 132 GLN CG C 32.921 0.01 . 1293 132 132 GLN N N 117.754 0.01 . 1294 132 132 GLN NE2 N 113.091 0.01 . 1295 133 133 THR H H 8.585 0.01 . 1296 133 133 THR HA H 4.439 0.01 . 1297 133 133 THR HB H 4.014 0.01 . 1298 133 133 THR HG2 H 0.809 0.01 . 1299 133 133 THR CA C 64.13 0.01 . 1300 133 133 THR CB C 68.937 0.01 . 1301 133 133 THR CG2 C 20.815 0.01 . 1302 133 133 THR N N 123.051 0.01 . 1303 134 134 VAL H H 8.213 0.01 . 1304 134 134 VAL HA H 4.595 0.01 . 1305 134 134 VAL HB H 1.671 0.01 . 1306 134 134 VAL HG1 H 0.557 0.01 . 1307 134 134 VAL HG2 H 0.737 0.01 . 1308 134 134 VAL CA C 59.833 0.01 . 1309 134 134 VAL CB C 34.634 0.01 . 1310 134 134 VAL CG1 C 22.523 0.01 . 1311 134 134 VAL CG2 C 20.895 0.01 . 1312 134 134 VAL N N 120.732 0.01 . 1313 135 135 HIS H H 8.587 0.01 . 1314 135 135 HIS HA H 4.721 0.01 . 1315 135 135 HIS HB2 H 2.868 0.01 . 1316 135 135 HIS HB3 H 2.63 0.01 . 1317 135 135 HIS HD2 H 6.473 0.01 . 1318 135 135 HIS HE1 H 7.623 0.01 . 1319 135 135 HIS CA C 55.245 0.01 . 1320 135 135 HIS CB C 31.284 0.01 . 1321 135 135 HIS CD2 C 118.45 0.01 . 1322 135 135 HIS CE1 C 138.34 0.01 . 1323 135 135 HIS N N 123.4 0.01 . 1324 136 136 PHE H H 9.12 0.01 . 1325 136 136 PHE HA H 4.799 0.01 . 1326 136 136 PHE HB2 H 1.94 0.01 . 1327 136 136 PHE HB3 H 1.279 0.01 . 1328 136 136 PHE HD1 H 6.641 0.01 . 1329 136 136 PHE HD2 H 6.641 0.01 . 1330 136 136 PHE HE1 H 6.771 0.01 . 1331 136 136 PHE HE2 H 6.771 0.01 . 1332 136 136 PHE HZ H 6.566 0.01 . 1333 136 136 PHE CA C 58.013 0.01 . 1334 136 136 PHE CB C 43.301 0.01 . 1335 136 136 PHE CD1 C 131.538 0.01 . 1336 136 136 PHE CE1 C 131.339 0.01 . 1337 136 136 PHE N N 124.965 0.01 . 1338 137 137 ASP H H 8.087 0.01 . 1339 137 137 ASP HA H 5.204 0.01 . 1340 137 137 ASP HB2 H 2.785 0.01 . 1341 137 137 ASP HB3 H 2.435 0.01 . 1342 137 137 ASP CA C 54.226 0.01 . 1343 137 137 ASP CB C 43.519 0.01 . 1344 137 137 ASP N N 121.841 0.01 . 1345 138 138 ILE H H 9.072 0.01 . 1346 138 138 ILE HA H 5.052 0.01 . 1347 138 138 ILE HB H 1.646 0.01 . 1348 138 138 ILE HG12 H 1.624 0.01 . 1349 138 138 ILE HG13 H 1.142 0.01 . 1350 138 138 ILE HG2 H 0.715 0.01 . 1351 138 138 ILE HD1 H 0.741 0.01 . 1352 138 138 ILE CA C 60.27 0.01 . 1353 138 138 ILE CB C 42.573 0.01 . 1354 138 138 ILE CG1 C 28.542 0.01 . 1355 138 138 ILE CG2 C 17.249 0.01 . 1356 138 138 ILE CD1 C 14.561 0.01 . 1357 138 138 ILE N N 124.469 0.01 . 1358 139 139 GLU H H 8.927 0.01 . 1359 139 139 GLU HA H 5.12 0.01 . 1360 139 139 GLU HB2 H 1.645 0.01 . 1361 139 139 GLU HB3 H 1.146 0.01 . 1362 139 139 GLU HG2 H 1.932 0.01 . 1363 139 139 GLU HG3 H 1.778 0.01 . 1364 139 139 GLU CA C 54.298 0.01 . 1365 139 139 GLU CB C 33.615 0.01 . 1366 139 139 GLU CG C 35.4 0.01 . 1367 139 139 GLU N N 127.858 0.01 . 1368 140 140 VAL H H 8.448 0.01 . 1369 140 140 VAL HA H 3.719 0.01 . 1370 140 140 VAL HB H 2.251 0.01 . 1371 140 140 VAL HG1 H 0.439 0.01 . 1372 140 140 VAL HG2 H 0.685 0.01 . 1373 140 140 VAL CA C 64.276 0.01 . 1374 140 140 VAL CB C 31.648 0.01 . 1375 140 140 VAL CG1 C 21.85 0.01 . 1376 140 140 VAL CG2 C 22.112 0.01 . 1377 140 140 VAL N N 126.105 0.01 . 1378 141 141 LEU H H 9.202 0.01 . 1379 141 141 LEU HA H 4.416 0.01 . 1380 141 141 LEU HB2 H 1.494 0.01 . 1381 141 141 LEU HB3 H 1.401 0.01 . 1382 141 141 LEU HG H 1.275 0.01 . 1383 141 141 LEU HD1 H 0.395 0.01 . 1384 141 141 LEU HD2 H 0.63 0.01 . 1385 141 141 LEU CA C 56.41 0.01 . 1386 141 141 LEU CB C 43.01 0.01 . 1387 141 141 LEU CD1 C 25.931 0.01 . 1388 141 141 LEU CD2 C 22.23 0.01 . 1389 141 141 LEU N N 130.567 0.01 . 1390 142 142 GLU H H 7.478 0.01 . 1391 142 142 GLU HA H 4.24 0.01 . 1392 142 142 GLU HB2 H 1.789 0.01 . 1393 142 142 GLU HB3 H 1.623 0.01 . 1394 142 142 GLU HG2 H 2.092 0.01 . 1395 142 142 GLU HG3 H 1.974 0.01 . 1396 142 142 GLU CA C 56.556 0.01 . 1397 142 142 GLU CB C 34.343 0.01 . 1398 142 142 GLU CG C 36.73 0.01 . 1399 142 142 GLU N N 115.578 0.01 . 1400 143 143 ILE H H 8.75 0.01 . 1401 143 143 ILE HA H 4.26 0.01 . 1402 143 143 ILE HB H 1.419 0.01 . 1403 143 143 ILE HG12 H 1.202 0.01 . 1404 143 143 ILE HG13 H 0.049 0.01 . 1405 143 143 ILE HG2 H 0.711 0.01 . 1406 143 143 ILE HD1 H 0.561 0.01 . 1407 143 143 ILE CA C 61.217 0.01 . 1408 143 143 ILE CB C 39.732 0.01 . 1409 143 143 ILE CG1 C 28.375 0.01 . 1410 143 143 ILE CG2 C 18.34 0.01 . 1411 143 143 ILE CD1 C 14.621 0.01 . 1412 143 143 ILE N N 125.566 0.01 . 1413 144 144 ASP H H 9.65 0.01 . 1414 144 144 ASP HA H 4.426 0.01 . 1415 144 144 ASP HB2 H 2.715 0.01 . 1416 144 144 ASP HB3 H 2.611 0.01 . 1417 144 144 ASP CA C 55.755 0.01 . 1418 144 144 ASP CB C 40.096 0.01 . 1419 144 144 ASP N N 125.051 0.01 . 1420 145 145 PRO HA H 4.225 0.01 . 1421 145 145 PRO HB2 H 1.92 0.01 . 1422 145 145 PRO HB3 H 1.721 0.01 . 1423 145 145 PRO HG2 H 1.484 0.01 . 1424 145 145 PRO HG3 H 1.483 0.01 . 1425 145 145 PRO HD2 H 3.394 0.01 . 1426 145 145 PRO HD3 H 3.067 0.01 . 1427 145 145 PRO CA C 62.819 0.01 . 1428 145 145 PRO CB C 32.741 0.01 . 1429 145 145 PRO CG C 27.706 0.01 . 1430 145 145 PRO CD C 50.792 0.01 . 1431 146 146 ALA H H 8.504 0.01 . 1432 146 146 ALA HA H 4.139 0.01 . 1433 146 146 ALA HB H 1.204 0.01 . 1434 146 146 ALA CA C 52.478 0.01 . 1435 146 146 ALA CB C 18.634 0.01 . 1436 146 146 ALA N N 124.536 0.01 . 1437 147 147 LEU H H 8.047 0.01 . 1438 147 147 LEU HA H 4.108 0.01 . 1439 147 147 LEU HB2 H 1.418 0.01 . 1440 147 147 LEU HB3 H 1.32 0.01 . 1441 147 147 LEU HG H 1.303 0.01 . 1442 147 147 LEU HD1 H 0.64 0.01 . 1443 147 147 LEU HD2 H 0.709 0.01 . 1444 147 147 LEU CA C 55.258 0.01 . 1445 147 147 LEU CB C 42.669 0.01 . 1446 147 147 LEU CG C 26.717 0.01 . 1447 147 147 LEU CD1 C 23.487 0.01 . 1448 147 147 LEU CD2 C 25.259 0.01 . 1449 147 147 LEU N N 122.468 0.01 . 1450 148 148 GLU H H 8.239 0.01 . 1451 148 148 GLU HA H 4.019 0.01 . 1452 148 148 GLU HB2 H 1.744 0.01 . 1453 148 148 GLU HB3 H 1.687 0.01 . 1454 148 148 GLU HG2 H 2.021 0.01 . 1455 148 148 GLU HG3 H 1.94 0.01 . 1456 148 148 GLU CA C 56.73 0.01 . 1457 148 148 GLU CB C 30.08 0.01 . 1458 148 148 GLU CG C 36.318 0.01 . 1459 148 148 GLU N N 121.173 0.01 . stop_ save_