data_18533 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution structure of apo-MptpA ; _BMRB_accession_number 18533 _BMRB_flat_file_name bmr18533.str _Entry_type original _Submission_date 2012-06-19 _Accession_date 2012-06-19 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'The apo structure of the low-molecular-weight protein tyrosine phosphatase A (MptpA) from Mycobacterium tuberculosis' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Stehle Tanja . . 2 Sreeramulu Sridhar . . 3 Loehr Frank . . 4 Richter Christian . . 5 Saxena Krishna . . 6 Jonker Hendrik R.A. . 7 Schwalbe Harald . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 868 "13C chemical shifts" 516 "15N chemical shifts" 159 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-13 original author . stop_ _Original_release_date 2012-08-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The apo-structure of the low-molecular-weight protein tyrosine phosphatase A (MptpA) from Mycobacterium tuberculosis allows for better target-specific drug development ; _Citation_status published _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 Stehle Tanja . . 2 Sreeramulu Sridhar . . 3 Loehr Frank . . 4 Richter Christian . . 5 Saxena Krishna . . 6 Jonker Hendrik R.A. . 7 Schwalbe Harald . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _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 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name mptpa _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label mptpa $mptpa 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_mptpa _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common mptpa _Molecular_mass 17976.248 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 164 _Mol_residue_sequence ; GMSDPLHVTFVCTGNICRSP MAEKMFAQQLRHRGLGDAVR VTSAGTGNWHVGSCADERAA GVLRAHGYPTDHRAAQVGTE HLAADLLVALDRNHARLLRQ LGVEAARVRMLRSFDPRSGT HALDVEDPYYGDHSDFEEVF AVIESALPGLHDWVDERLAR NGPS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 GLY 2 1 MET 3 2 SER 4 3 ASP 5 4 PRO 6 5 LEU 7 6 HIS 8 7 VAL 9 8 THR 10 9 PHE 11 10 VAL 12 11 CYS 13 12 THR 14 13 GLY 15 14 ASN 16 15 ILE 17 16 CYS 18 17 ARG 19 18 SER 20 19 PRO 21 20 MET 22 21 ALA 23 22 GLU 24 23 LYS 25 24 MET 26 25 PHE 27 26 ALA 28 27 GLN 29 28 GLN 30 29 LEU 31 30 ARG 32 31 HIS 33 32 ARG 34 33 GLY 35 34 LEU 36 35 GLY 37 36 ASP 38 37 ALA 39 38 VAL 40 39 ARG 41 40 VAL 42 41 THR 43 42 SER 44 43 ALA 45 44 GLY 46 45 THR 47 46 GLY 48 47 ASN 49 48 TRP 50 49 HIS 51 50 VAL 52 51 GLY 53 52 SER 54 53 CYS 55 54 ALA 56 55 ASP 57 56 GLU 58 57 ARG 59 58 ALA 60 59 ALA 61 60 GLY 62 61 VAL 63 62 LEU 64 63 ARG 65 64 ALA 66 65 HIS 67 66 GLY 68 67 TYR 69 68 PRO 70 69 THR 71 70 ASP 72 71 HIS 73 72 ARG 74 73 ALA 75 74 ALA 76 75 GLN 77 76 VAL 78 77 GLY 79 78 THR 80 79 GLU 81 80 HIS 82 81 LEU 83 82 ALA 84 83 ALA 85 84 ASP 86 85 LEU 87 86 LEU 88 87 VAL 89 88 ALA 90 89 LEU 91 90 ASP 92 91 ARG 93 92 ASN 94 93 HIS 95 94 ALA 96 95 ARG 97 96 LEU 98 97 LEU 99 98 ARG 100 99 GLN 101 100 LEU 102 101 GLY 103 102 VAL 104 103 GLU 105 104 ALA 106 105 ALA 107 106 ARG 108 107 VAL 109 108 ARG 110 109 MET 111 110 LEU 112 111 ARG 113 112 SER 114 113 PHE 115 114 ASP 116 115 PRO 117 116 ARG 118 117 SER 119 118 GLY 120 119 THR 121 120 HIS 122 121 ALA 123 122 LEU 124 123 ASP 125 124 VAL 126 125 GLU 127 126 ASP 128 127 PRO 129 128 TYR 130 129 TYR 131 130 GLY 132 131 ASP 133 132 HIS 134 133 SER 135 134 ASP 136 135 PHE 137 136 GLU 138 137 GLU 139 138 VAL 140 139 PHE 141 140 ALA 142 141 VAL 143 142 ILE 144 143 GLU 145 144 SER 146 145 ALA 147 146 LEU 148 147 PRO 149 148 GLY 150 149 LEU 151 150 HIS 152 151 ASP 153 152 TRP 154 153 VAL 155 154 ASP 156 155 GLU 157 156 ARG 158 157 LEU 159 158 ALA 160 159 ARG 161 160 ASN 162 161 GLY 163 162 PRO 164 163 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 19361 MptpA 100.00 164 99.39 99.39 3.97e-114 BMRB 19388 MptpA 100.00 164 99.39 99.39 3.97e-114 BMRB 26513 MptpA 100.00 167 99.39 99.39 3.31e-114 PDB 1U2P "Crystal Structure Of Mycobacterium Tuberculosis Low Molecular Protein Tyrosine Phosphatase (Mptpa) At 1.9a Resolution" 99.39 163 100.00 100.00 3.19e-114 PDB 1U2Q "Crystal Structure Of Mycobacterium Tuberculosis Low Molecular Weight Protein Tyrosine Phosphatase (Mptpa) At 2.5a Resolution Wi" 99.39 163 100.00 100.00 3.19e-114 PDB 2LUO "Nmr Solution Structure Of Apo-Mptpa" 100.00 164 100.00 100.00 6.47e-115 DBJ BAH26529 "phosphotyrosine protein phosphatase [Mycobacterium bovis BCG str. Tokyo 172]" 99.39 163 100.00 100.00 3.19e-114 DBJ BAL66249 "phosphotyrosine protein phosphatase [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" 99.39 163 100.00 100.00 3.19e-114 DBJ BAQ06307 "phosphotyrosine protein phosphatase [Mycobacterium tuberculosis str. Kurono]" 87.80 144 100.00 100.00 8.55e-98 DBJ GAA45923 "phosphotyrosine protein phosphatase [Mycobacterium tuberculosis NCGM2209]" 87.80 144 100.00 100.00 8.55e-98 EMBL CAL72239 "Phosphotyrosine protein phosphatase ptpA [Mycobacterium bovis BCG str. Pasteur 1173P2]" 99.39 163 100.00 100.00 3.19e-114 EMBL CCC27315 "phosphotyrosine protein phosphatase PTPA (protein-tyrosine-phosphatase) [Mycobacterium africanum GM041182]" 99.39 163 100.00 100.00 3.19e-114 EMBL CCC44588 "phosphotyrosine protein phosphatase PTPA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) [Mycobacterium canettii CIPT" 99.39 163 100.00 100.00 3.19e-114 EMBL CCC64828 "Phosphotyrosine protein phosphatase ptpA [Mycobacterium bovis BCG str. Moreau RDJ]" 99.39 163 100.00 100.00 3.19e-114 EMBL CCE37704 "ptpA [Mycobacterium tuberculosis UT205]" 99.39 163 100.00 100.00 3.19e-114 GB AAK46577 "protein tyrosine phosphatase [Mycobacterium tuberculosis CDC1551]" 99.39 163 100.00 100.00 3.19e-114 GB ABQ74015 "protein tyrosine phosphatase [Mycobacterium tuberculosis H37Ra]" 99.39 163 100.00 100.00 3.19e-114 GB ABR06594 "phosphotyrosine protein phosphatase ptpA [Mycobacterium tuberculosis F11]" 99.39 163 100.00 100.00 3.19e-114 GB ACT24805 "phosphotyrosine protein phosphatase ptpA [Mycobacterium tuberculosis KZN 1435]" 99.39 163 100.00 100.00 3.19e-114 GB AEB03885 "phosphotyrosine protein phosphatase ptpA [Mycobacterium tuberculosis KZN 4207]" 99.39 163 100.00 100.00 3.19e-114 REF NP_216750 "protein-tyrosine-phosphatase [Mycobacterium tuberculosis H37Rv]" 99.39 163 100.00 100.00 3.19e-114 REF NP_855907 "phosphotyrosine protein phosphatase PtpA [Mycobacterium bovis AF2122/97]" 99.39 163 100.00 100.00 3.19e-114 REF WP_003411510 "MULTISPECIES: protein-tyrosine-phosphatase [Mycobacterium]" 99.39 163 100.00 100.00 3.19e-114 REF WP_003899227 "protein-tyrosine-phosphatase [Mycobacterium tuberculosis]" 99.39 163 99.39 99.39 1.81e-113 REF WP_015288274 "phosphotyrosine protein phosphatase PtpA [Mycobacterium canettii]" 99.39 163 99.39 99.39 3.38e-113 SP P65717 "RecName: Full=Probable low molecular weight protein-tyrosine-phosphatase; Short=PTPase" 99.39 163 100.00 100.00 3.19e-114 SP P9WIA0 "RecName: Full=Probable low molecular weight protein-tyrosine-phosphatase; Short=PTPase" 99.39 163 100.00 100.00 3.19e-114 SP P9WIA1 "RecName: Full=Probable low molecular weight protein-tyrosine-phosphatase; Short=PTPase" 99.39 163 100.00 100.00 3.19e-114 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $mptpa 'Mycobacterium tuberculosis' 1773 Bacteria . Mycobacterium tuberculosis stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name _Details $mptpa 'recombinant technology' . Escherichia coli BL21(DE3) pLysS pKM263 'original pET16bTev vector was double NcoI/BlpId digested and cloned into the modified pKM263 (6xHis tag ProtGB1-TEV between Nde1 and Xho1) vector' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_13C15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $mptpa 1.2 mM '[U-100% 13C; U-100% 15N]' 'arginine / glutamine' 50 mM 'natural abundance' HEPES 25 mM 'natural abundance' DTT 10 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $mptpa 1.0 mM '[U-100% 15N]' 'arginine / glutamine' 50 mM 'natural abundance' HEPES 25 mM 'natural abundance' DTT 10 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.114 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4.2 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.9 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details 'development version' save_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details 'development version' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _Details 'CryoProbe 1H,13C,15N' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details 'CryoProbe 1H,13C,15N' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'CryoProbe 1H,13C,15N' save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'CryoProbe 1H,13C,15N' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_15N save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_13C15N save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_13C15N save_ save_3D_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_13C15N save_ save_3D_(H)C(NC)H_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)C(NC)H' _Sample_label $sample_13C15N save_ save_3D_HCD(CG)CB-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCD(CG)CB-TOCSY' _Sample_label $sample_13C15N save_ save_3D_(H)CC(CO)NH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CC(CO)NH-TOCSY' _Sample_label $sample_13C15N save_ save_3D_(H)CB(CG)CCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CB(CG)CCH-TOCSY' _Sample_label $sample_13C15N save_ save_3D_1H-13C_NOESY_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_13C15N save_ save_3D_1H-13C_NOESY_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_13C15N save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_15N save_ save_2D_(T1,T2,HetNOE)_1H-15N_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (T1,T2,HetNOE) 1H-15N HSQC' _Sample_label $sample_15N save_ save_2D_(IPAP)_1H-15N_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (IPAP) 1H-15N HSQC' _Sample_label $sample_15N save_ save_2D_(IPAP)_1H-15N_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (IPAP) 1H-15N HSQC' _Sample_label $sample_15N save_ save_3D_HNHA_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_15N 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 . M pH 7.0 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'referenced to TSPSA' loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCACB' '3D HCCH-TOCSY' '3D (H)C(NC)H' '3D HCD(CG)CB-TOCSY' '3D (H)CC(CO)NH-TOCSY' '3D (H)CB(CG)CCH-TOCSY' stop_ loop_ _Sample_label $sample_15N $sample_13C15N stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name mptpa _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 0 1 GLY HA2 H 3.92 0.02 2 2 0 1 GLY HA3 H 3.95 0.02 2 3 0 1 GLY H H 8.38 0.02 1 4 0 1 GLY CA C 45.42 0.05 1 5 0 1 GLY N N 109.96 0.05 1 6 1 2 MET H H 8.14 0.02 1 7 1 2 MET HA H 4.50 0.02 1 8 1 2 MET HB2 H 2.09 0.02 2 9 1 2 MET HB3 H 1.98 0.02 2 10 1 2 MET HG2 H 2.51 0.02 2 11 1 2 MET HG3 H 2.58 0.02 2 12 1 2 MET CA C 55.45 0.05 1 13 1 2 MET CB C 33.17 0.05 1 14 1 2 MET CG C 32.10 0.05 1 15 1 2 MET N N 119.85 0.05 1 16 2 3 SER H H 8.34 0.02 1 17 2 3 SER HA H 4.43 0.02 1 18 2 3 SER HB2 H 3.81 0.02 2 19 2 3 SER HB3 H 3.81 0.02 2 20 2 3 SER CA C 58.32 0.05 1 21 2 3 SER CB C 63.99 0.05 1 22 2 3 SER N N 117.00 0.05 1 23 3 4 ASP H H 8.26 0.02 1 24 3 4 ASP HA H 4.86 0.02 1 25 3 4 ASP HB2 H 2.66 0.02 2 26 3 4 ASP HB3 H 2.44 0.02 2 27 3 4 ASP CA C 52.88 0.05 1 28 3 4 ASP CB C 40.80 0.05 1 29 3 4 ASP N N 123.20 0.05 1 30 4 5 PRO HA H 4.40 0.02 1 31 4 5 PRO HB2 H 2.04 0.02 2 32 4 5 PRO HB3 H 1.67 0.02 2 33 4 5 PRO HG2 H 1.95 0.02 2 34 4 5 PRO HG3 H 1.79 0.02 2 35 4 5 PRO HD2 H 3.73 0.02 2 36 4 5 PRO HD3 H 3.63 0.02 2 37 4 5 PRO CA C 62.82 0.05 1 38 4 5 PRO CB C 31.91 0.05 1 39 4 5 PRO CG C 27.19 0.05 1 40 4 5 PRO CD C 50.45 0.05 1 41 5 6 LEU H H 7.67 0.02 1 42 5 6 LEU HA H 4.39 0.02 1 43 5 6 LEU HB2 H 1.73 0.02 2 44 5 6 LEU HB3 H 1.76 0.02 2 45 5 6 LEU HD1 H 0.95 0.02 2 46 5 6 LEU HD2 H 0.96 0.02 2 47 5 6 LEU CA C 55.28 0.05 1 48 5 6 LEU CB C 44.35 0.05 1 49 5 6 LEU CD1 C 25.39 0.05 1 50 5 6 LEU CD2 C 25.65 0.05 1 51 5 6 LEU N N 123.16 0.05 1 52 6 7 HIS H H 10.08 0.02 1 53 6 7 HIS HA H 6.03 0.02 1 54 6 7 HIS HB2 H 3.19 0.02 2 55 6 7 HIS HB3 H 2.96 0.02 2 56 6 7 HIS HD2 H 6.86 0.02 1 57 6 7 HIS HE1 H 7.72 0.02 1 58 6 7 HIS CA C 52.90 0.05 1 59 6 7 HIS CB C 32.13 0.05 1 60 6 7 HIS CD2 C 119.73 0.05 1 61 6 7 HIS CE1 C 138.51 0.05 1 62 6 7 HIS N N 127.16 0.05 1 63 7 8 VAL H H 8.93 0.02 1 64 7 8 VAL HA H 4.50 0.02 1 65 7 8 VAL HB H 1.74 0.02 1 66 7 8 VAL HG1 H 0.78 0.02 2 67 7 8 VAL HG2 H 0.19 0.02 2 68 7 8 VAL CA C 60.80 0.05 1 69 7 8 VAL CB C 34.80 0.05 1 70 7 8 VAL CG1 C 20.98 0.05 1 71 7 8 VAL CG2 C 20.63 0.05 1 72 7 8 VAL N N 128.62 0.05 1 73 8 9 THR H H 7.97 0.02 1 74 8 9 THR HA H 5.27 0.02 1 75 8 9 THR HB H 3.32 0.02 1 76 8 9 THR HG2 H 0.84 0.02 1 77 8 9 THR CA C 58.52 0.05 1 78 8 9 THR CB C 70.75 0.05 1 79 8 9 THR CG2 C 21.36 0.05 1 80 8 9 THR N N 121.53 0.05 1 81 9 10 PHE H H 8.18 0.02 1 82 9 10 PHE HA H 5.21 0.02 1 83 9 10 PHE HB2 H 2.76 0.02 2 84 9 10 PHE HB3 H 2.58 0.02 2 85 9 10 PHE HD1 H 6.92 0.02 3 86 9 10 PHE HD2 H 6.92 0.02 3 87 9 10 PHE HE1 H 6.94 0.02 3 88 9 10 PHE HE2 H 6.94 0.02 3 89 9 10 PHE HZ H 7.10 0.02 1 90 9 10 PHE CA C 56.31 0.05 1 91 9 10 PHE CB C 42.83 0.05 1 92 9 10 PHE CD1 C 131.54 0.05 3 93 9 10 PHE CD2 C 131.54 0.05 3 94 9 10 PHE CE1 C 131.59 0.05 3 95 9 10 PHE CE2 C 131.59 0.05 3 96 9 10 PHE CZ C 129.53 0.05 1 97 9 10 PHE N N 125.36 0.05 1 98 10 11 VAL H H 8.71 0.02 1 99 10 11 VAL HA H 5.36 0.02 1 100 10 11 VAL HB H 1.55 0.02 1 101 10 11 VAL HG1 H 0.77 0.02 2 102 10 11 VAL HG2 H 0.61 0.02 2 103 10 11 VAL CA C 60.42 0.05 1 104 10 11 VAL CB C 35.55 0.05 1 105 10 11 VAL CG1 C 21.62 0.05 1 106 10 11 VAL CG2 C 20.70 0.05 1 107 10 11 VAL N N 121.12 0.05 1 108 11 12 CYS H H 7.94 0.02 1 109 11 12 CYS HA H 3.26 0.02 1 110 11 12 CYS HB2 H 3.06 0.02 2 111 11 12 CYS HB3 H 2.76 0.02 2 112 11 12 CYS CA C 57.63 0.05 1 113 11 12 CYS CB C 30.35 0.05 1 114 11 12 CYS N N 123.27 0.05 1 115 12 13 THR HA H 5.01 0.02 1 116 12 13 THR HB H 4.53 0.02 1 117 12 13 THR HG2 H 1.53 0.02 1 118 12 13 THR CA C 64.87 0.05 1 119 12 13 THR CB C 69.18 0.05 1 120 12 13 THR CG2 C 23.36 0.05 1 121 13 14 GLY HA2 H 5.04 0.02 2 122 13 14 GLY HA3 H 3.58 0.02 2 123 13 14 GLY CA C 44.96 0.05 1 124 14 15 ASN H H 9.28 0.02 1 125 14 15 ASN HA H 3.93 0.02 1 126 14 15 ASN HB2 H 3.28 0.02 2 127 14 15 ASN HB3 H 2.25 0.02 2 128 14 15 ASN CA C 54.87 0.05 1 129 14 15 ASN CB C 40.67 0.05 1 130 14 15 ASN N N 119.96 0.05 1 131 15 16 ILE H H 7.10 0.02 1 132 15 16 ILE HA H 4.68 0.02 1 133 15 16 ILE HB H 1.92 0.02 1 134 15 16 ILE HG12 H 1.66 0.02 2 135 15 16 ILE HG13 H 0.47 0.02 2 136 15 16 ILE HG2 H 0.86 0.02 1 137 15 16 ILE HD1 H 0.31 0.02 1 138 15 16 ILE CA C 62.79 0.05 1 139 15 16 ILE CB C 42.14 0.05 1 140 15 16 ILE CG1 C 26.58 0.05 1 141 15 16 ILE CG2 C 19.67 0.05 1 142 15 16 ILE CD1 C 14.15 0.05 1 143 15 16 ILE N N 101.06 0.05 1 144 16 17 CYS H H 7.70 0.02 1 145 16 17 CYS HA H 4.94 0.02 1 146 16 17 CYS HB2 H 4.11 0.02 2 147 16 17 CYS HB3 H 2.72 0.02 2 148 16 17 CYS CA C 60.06 0.05 1 149 16 17 CYS CB C 28.95 0.05 1 150 16 17 CYS N N 116.02 0.05 1 151 18 19 SER H H 11.42 0.02 1 152 18 19 SER HA H 3.81 0.02 1 153 18 19 SER HB2 H 3.75 0.02 2 154 18 19 SER HB3 H 3.75 0.02 2 155 18 19 SER CA C 62.71 0.05 1 156 18 19 SER CB C 64.86 0.05 1 157 18 19 SER N N 122.34 0.05 1 158 19 20 PRO HA H 3.97 0.02 1 159 19 20 PRO HB2 H 0.66 0.02 2 160 19 20 PRO HB3 H 0.36 0.02 2 161 19 20 PRO HG2 H 1.02 0.02 2 162 19 20 PRO HG3 H 1.00 0.02 2 163 19 20 PRO HD2 H 3.30 0.02 2 164 19 20 PRO HD3 H 3.37 0.02 2 165 19 20 PRO CA C 65.03 0.05 1 166 19 20 PRO CB C 28.69 0.05 1 167 19 20 PRO CG C 27.98 0.05 1 168 19 20 PRO CD C 49.95 0.05 1 169 20 21 MET H H 6.31 0.02 1 170 20 21 MET HA H 3.73 0.02 1 171 20 21 MET HB2 H 2.07 0.02 2 172 20 21 MET HB3 H 1.93 0.02 2 173 20 21 MET HG2 H 2.96 0.02 2 174 20 21 MET HG3 H 2.08 0.02 2 175 20 21 MET HE H 2.26 0.02 1 176 20 21 MET CA C 60.16 0.05 1 177 20 21 MET CB C 33.04 0.05 1 178 20 21 MET CG C 32.72 0.05 1 179 20 21 MET CE C 16.73 0.05 1 180 20 21 MET N N 112.43 0.05 1 181 21 22 ALA H H 6.55 0.02 1 182 21 22 ALA HA H 3.40 0.02 1 183 21 22 ALA HB H 0.14 0.02 1 184 21 22 ALA CA C 54.99 0.05 1 185 21 22 ALA CB C 16.49 0.05 1 186 21 22 ALA N N 117.80 0.05 1 187 22 23 GLU H H 7.80 0.02 1 188 22 23 GLU HA H 3.68 0.02 1 189 22 23 GLU HB2 H 2.09 0.02 2 190 22 23 GLU HB3 H 2.01 0.02 2 191 22 23 GLU HG2 H 2.24 0.02 2 192 22 23 GLU HG3 H 2.24 0.02 2 193 22 23 GLU CA C 59.55 0.05 1 194 22 23 GLU CB C 29.79 0.05 1 195 22 23 GLU CG C 34.89 0.05 1 196 22 23 GLU N N 115.52 0.05 1 197 23 24 LYS H H 8.04 0.02 1 198 23 24 LYS HA H 4.00 0.02 1 199 23 24 LYS HB2 H 1.95 0.02 2 200 23 24 LYS HB3 H 1.74 0.02 2 201 23 24 LYS HG2 H 1.67 0.02 2 202 23 24 LYS HG3 H 1.46 0.02 2 203 23 24 LYS HD2 H 1.51 0.02 2 204 23 24 LYS HD3 H 1.43 0.02 2 205 23 24 LYS HE2 H 2.59 0.02 2 206 23 24 LYS HE3 H 2.55 0.02 2 207 23 24 LYS CA C 57.76 0.05 1 208 23 24 LYS CB C 30.80 0.05 1 209 23 24 LYS CG C 23.59 0.05 1 210 23 24 LYS CD C 25.76 0.05 1 211 23 24 LYS CE C 43.07 0.05 1 212 23 24 LYS N N 114.22 0.05 1 213 24 25 MET H H 7.61 0.02 1 214 24 25 MET HA H 3.95 0.02 1 215 24 25 MET HB2 H 1.47 0.02 2 216 24 25 MET HB3 H 1.47 0.02 2 217 24 25 MET HG2 H 1.93 0.02 2 218 24 25 MET HG3 H 0.53 0.02 2 219 24 25 MET HE H 0.96 0.02 1 220 24 25 MET CA C 57.98 0.05 1 221 24 25 MET CB C 35.50 0.05 1 222 24 25 MET CG C 30.71 0.05 1 223 24 25 MET CE C 15.95 0.05 1 224 24 25 MET N N 115.25 0.05 1 225 25 26 PHE H H 8.56 0.02 1 226 25 26 PHE HA H 4.34 0.02 1 227 25 26 PHE HB2 H 3.18 0.02 2 228 25 26 PHE HB3 H 2.99 0.02 2 229 25 26 PHE HD1 H 7.05 0.02 3 230 25 26 PHE HD2 H 7.05 0.02 3 231 25 26 PHE HE1 H 6.86 0.02 3 232 25 26 PHE HE2 H 6.86 0.02 3 233 25 26 PHE HZ H 6.17 0.02 1 234 25 26 PHE CA C 60.03 0.05 1 235 25 26 PHE CB C 39.46 0.05 1 236 25 26 PHE CD1 C 130.87 0.05 3 237 25 26 PHE CD2 C 130.87 0.05 3 238 25 26 PHE CE1 C 129.74 0.05 3 239 25 26 PHE CE2 C 129.74 0.05 3 240 25 26 PHE CZ C 128.39 0.05 1 241 25 26 PHE N N 119.09 0.05 1 242 26 27 ALA H H 8.80 0.02 1 243 26 27 ALA HA H 3.93 0.02 1 244 26 27 ALA HB H 1.61 0.02 1 245 26 27 ALA CA C 56.06 0.05 1 246 26 27 ALA CB C 18.41 0.05 1 247 26 27 ALA N N 117.83 0.05 1 248 27 28 GLN H H 7.69 0.02 1 249 27 28 GLN HA H 4.05 0.02 1 250 27 28 GLN HB2 H 2.38 0.02 2 251 27 28 GLN HB3 H 2.38 0.02 2 252 27 28 GLN HG2 H 1.98 0.02 2 253 27 28 GLN HG3 H 2.15 0.02 2 254 27 28 GLN HE21 H 7.26 0.02 2 255 27 28 GLN HE22 H 6.72 0.02 2 256 27 28 GLN CA C 59.61 0.05 1 257 27 28 GLN CB C 28.45 0.05 1 258 27 28 GLN CG C 33.62 0.05 1 259 27 28 GLN N N 117.55 0.05 1 260 27 28 GLN NE2 N 112.97 0.05 1 261 28 29 GLN H H 8.21 0.02 1 262 28 29 GLN HA H 4.14 0.02 1 263 28 29 GLN HB2 H 2.40 0.02 2 264 28 29 GLN HB3 H 2.32 0.02 2 265 28 29 GLN HG2 H 3.38 0.02 2 266 28 29 GLN HG3 H 2.84 0.02 2 267 28 29 GLN HE21 H 7.17 0.02 2 268 28 29 GLN HE22 H 7.02 0.02 2 269 28 29 GLN CA C 59.18 0.05 1 270 28 29 GLN CB C 28.11 0.05 1 271 28 29 GLN CG C 33.92 0.05 1 272 28 29 GLN N N 117.53 0.05 1 273 28 29 GLN NE2 N 106.50 0.05 1 274 29 30 LEU H H 8.54 0.02 1 275 29 30 LEU HA H 3.93 0.02 1 276 29 30 LEU HB2 H 1.84 0.02 2 277 29 30 LEU HB3 H 0.90 0.02 2 278 29 30 LEU HG H 0.11 0.02 1 279 29 30 LEU HD1 H 0.67 0.02 2 280 29 30 LEU HD2 H 0.67 0.02 2 281 29 30 LEU CA C 58.08 0.05 1 282 29 30 LEU CB C 41.90 0.05 1 283 29 30 LEU CG C 26.76 0.05 1 284 29 30 LEU CD1 C 23.56 0.05 2 285 29 30 LEU CD2 C 23.56 0.05 2 286 29 30 LEU N N 119.33 0.05 1 287 30 31 ARG H H 8.05 0.02 1 288 30 31 ARG HA H 3.97 0.02 1 289 30 31 ARG HB2 H 2.07 0.02 2 290 30 31 ARG HB3 H 2.00 0.02 2 291 30 31 ARG HG2 H 1.87 0.02 2 292 30 31 ARG HG3 H 1.59 0.02 2 293 30 31 ARG HD2 H 3.31 0.02 2 294 30 31 ARG HD3 H 3.21 0.02 2 295 30 31 ARG CA C 59.79 0.05 1 296 30 31 ARG CB C 29.52 0.05 1 297 30 31 ARG CG C 28.20 0.05 1 298 30 31 ARG CD C 43.51 0.05 1 299 30 31 ARG N N 120.88 0.05 1 300 31 32 HIS H H 8.44 0.02 1 301 31 32 HIS HA H 4.55 0.02 1 302 31 32 HIS HB2 H 3.25 0.02 2 303 31 32 HIS HB3 H 3.25 0.02 2 304 31 32 HIS HD2 H 6.93 0.02 1 305 31 32 HIS CA C 58.08 0.05 1 306 31 32 HIS CB C 30.71 0.05 1 307 31 32 HIS CD2 C 118.55 0.05 1 308 31 32 HIS N N 119.77 0.05 1 309 32 33 ARG H H 7.50 0.02 1 310 32 33 ARG HA H 4.59 0.02 1 311 32 33 ARG HB2 H 1.94 0.02 2 312 32 33 ARG HB3 H 1.94 0.02 2 313 32 33 ARG HG2 H 1.85 0.02 2 314 32 33 ARG HG3 H 1.85 0.02 2 315 32 33 ARG HD2 H 3.03 0.02 2 316 32 33 ARG HD3 H 2.91 0.02 2 317 32 33 ARG CA C 55.97 0.05 1 318 32 33 ARG CB C 31.22 0.05 1 319 32 33 ARG CG C 27.46 0.05 1 320 32 33 ARG CD C 44.55 0.05 1 321 32 33 ARG N N 115.43 0.05 1 322 33 34 GLY H H 7.75 0.02 1 323 33 34 GLY HA2 H 4.24 0.02 2 324 33 34 GLY HA3 H 3.97 0.02 2 325 33 34 GLY CA C 46.20 0.05 1 326 33 34 GLY N N 106.73 0.05 1 327 34 35 LEU H H 7.98 0.02 1 328 34 35 LEU HA H 4.68 0.02 1 329 34 35 LEU HB2 H 1.80 0.02 2 330 34 35 LEU HB3 H 1.43 0.02 2 331 34 35 LEU HG H 1.43 0.02 1 332 34 35 LEU HD1 H 0.74 0.02 2 333 34 35 LEU HD2 H 0.82 0.02 2 334 34 35 LEU CA C 54.15 0.05 1 335 34 35 LEU CB C 43.19 0.05 1 336 34 35 LEU CG C 27.13 0.05 1 337 34 35 LEU CD1 C 22.99 0.05 1 338 34 35 LEU CD2 C 25.67 0.05 1 339 34 35 LEU N N 119.98 0.05 1 340 35 36 GLY H H 8.83 0.02 1 341 35 36 GLY HA2 H 3.80 0.02 2 342 35 36 GLY HA3 H 3.80 0.02 2 343 35 36 GLY CA C 47.10 0.05 1 344 35 36 GLY N N 108.66 0.05 1 345 36 37 ASP H H 8.30 0.02 1 346 36 37 ASP HA H 4.77 0.02 1 347 36 37 ASP HB2 H 2.69 0.02 2 348 36 37 ASP HB3 H 2.50 0.02 2 349 36 37 ASP CA C 54.39 0.05 1 350 36 37 ASP CB C 41.17 0.05 1 351 36 37 ASP N N 115.36 0.05 1 352 37 38 ALA H H 7.38 0.02 1 353 37 38 ALA HA H 4.31 0.02 1 354 37 38 ALA HB H 1.45 0.02 1 355 37 38 ALA CA C 52.95 0.05 1 356 37 38 ALA CB C 20.85 0.05 1 357 37 38 ALA N N 121.46 0.05 1 358 38 39 VAL H H 7.10 0.02 1 359 38 39 VAL HA H 4.80 0.02 1 360 38 39 VAL HB H 1.99 0.02 1 361 38 39 VAL HG1 H 0.96 0.02 2 362 38 39 VAL HG2 H 0.82 0.02 2 363 38 39 VAL CA C 60.04 0.05 1 364 38 39 VAL CB C 35.19 0.05 1 365 38 39 VAL CG1 C 21.90 0.05 1 366 38 39 VAL CG2 C 21.42 0.05 1 367 38 39 VAL N N 115.66 0.05 1 368 39 40 ARG H H 9.73 0.02 1 369 39 40 ARG HA H 4.54 0.02 1 370 39 40 ARG HB2 H 1.49 0.02 2 371 39 40 ARG HB3 H 1.57 0.02 2 372 39 40 ARG HG2 H 1.15 0.02 2 373 39 40 ARG HG3 H 1.47 0.02 2 374 39 40 ARG HD2 H 2.44 0.02 2 375 39 40 ARG HD3 H 2.74 0.02 2 376 39 40 ARG CA C 54.71 0.05 1 377 39 40 ARG CB C 32.32 0.05 1 378 39 40 ARG CG C 27.06 0.05 1 379 39 40 ARG CD C 43.37 0.05 1 380 39 40 ARG N N 129.23 0.05 1 381 40 41 VAL H H 8.61 0.02 1 382 40 41 VAL HA H 5.69 0.02 1 383 40 41 VAL HB H 2.16 0.02 1 384 40 41 VAL HG1 H 1.52 0.02 2 385 40 41 VAL HG2 H 0.91 0.02 2 386 40 41 VAL CA C 60.56 0.05 1 387 40 41 VAL CB C 33.94 0.05 1 388 40 41 VAL CG1 C 24.63 0.05 1 389 40 41 VAL CG2 C 23.12 0.05 1 390 40 41 VAL N N 126.24 0.05 1 391 41 42 THR H H 8.87 0.02 1 392 41 42 THR HA H 4.89 0.02 1 393 41 42 THR HB H 4.70 0.02 1 394 41 42 THR HG2 H 1.18 0.02 1 395 41 42 THR CA C 60.30 0.05 1 396 41 42 THR CB C 73.89 0.05 1 397 41 42 THR CG2 C 21.62 0.05 1 398 41 42 THR N N 117.31 0.05 1 399 42 43 SER H H 8.06 0.02 1 400 42 43 SER HA H 5.72 0.02 1 401 42 43 SER HB2 H 4.20 0.02 2 402 42 43 SER HB3 H 3.70 0.02 2 403 42 43 SER CA C 58.09 0.05 1 404 42 43 SER CB C 65.87 0.05 1 405 42 43 SER N N 109.96 0.05 1 406 43 44 ALA H H 8.71 0.02 1 407 43 44 ALA HA H 4.26 0.02 1 408 43 44 ALA HB H 0.30 0.02 1 409 43 44 ALA CA C 51.18 0.05 1 410 43 44 ALA CB C 20.83 0.05 1 411 43 44 ALA N N 119.20 0.05 1 412 44 45 GLY H H 8.67 0.02 1 413 44 45 GLY HA2 H 5.04 0.02 2 414 44 45 GLY HA3 H 3.07 0.02 2 415 44 45 GLY CA C 42.54 0.05 1 416 44 45 GLY N N 104.09 0.05 1 417 45 46 THR H H 9.12 0.02 1 418 45 46 THR HA H 4.08 0.02 1 419 45 46 THR HB H 4.35 0.02 1 420 45 46 THR HG2 H 1.26 0.02 1 421 45 46 THR CA C 64.68 0.05 1 422 45 46 THR CB C 67.88 0.05 1 423 45 46 THR CG2 C 22.34 0.05 1 424 45 46 THR N N 114.06 0.05 1 425 46 47 GLY H H 8.93 0.02 1 426 46 47 GLY HA2 H 4.23 0.02 2 427 46 47 GLY HA3 H 3.14 0.02 2 428 46 47 GLY CA C 43.83 0.05 1 429 46 47 GLY N N 110.38 0.05 1 430 47 48 ASN H H 7.60 0.02 1 431 47 48 ASN HA H 4.49 0.02 1 432 47 48 ASN HB2 H 2.94 0.02 2 433 47 48 ASN HB3 H 2.35 0.02 2 434 47 48 ASN HD21 H 7.28 0.02 2 435 47 48 ASN HD22 H 6.54 0.02 2 436 47 48 ASN CA C 51.76 0.05 1 437 47 48 ASN CB C 38.85 0.05 1 438 47 48 ASN N N 113.44 0.05 1 439 47 48 ASN ND2 N 109.05 0.05 1 440 48 49 TRP H H 6.92 0.02 1 441 48 49 TRP HA H 3.90 0.02 1 442 48 49 TRP HB2 H 2.89 0.02 2 443 48 49 TRP HB3 H 2.89 0.02 2 444 48 49 TRP HD1 H 7.18 0.02 1 445 48 49 TRP HE3 H 7.51 0.02 1 446 48 49 TRP HZ2 H 7.57 0.02 1 447 48 49 TRP HZ3 H 7.05 0.02 1 448 48 49 TRP HH2 H 7.19 0.02 1 449 48 49 TRP CA C 60.86 0.05 1 450 48 49 TRP CB C 28.52 0.05 1 451 48 49 TRP CD1 C 127.34 0.05 1 452 48 49 TRP CE3 C 118.80 0.05 1 453 48 49 TRP CZ2 C 115.54 0.05 1 454 48 49 TRP CZ3 C 122.13 0.05 1 455 48 49 TRP CH2 C 124.63 0.05 1 456 48 49 TRP N N 117.30 0.05 1 457 49 50 HIS H H 8.62 0.02 1 458 49 50 HIS HA H 4.88 0.02 1 459 49 50 HIS HB2 H 3.35 0.02 2 460 49 50 HIS HB3 H 2.79 0.02 2 461 49 50 HIS HD2 H 6.75 0.02 1 462 49 50 HIS CA C 53.86 0.05 1 463 49 50 HIS CB C 31.04 0.05 1 464 49 50 HIS CD2 C 121.70 0.05 1 465 49 50 HIS N N 111.59 0.05 1 466 50 51 VAL H H 6.88 0.02 1 467 50 51 VAL HA H 3.20 0.02 1 468 50 51 VAL HB H 1.93 0.02 1 469 50 51 VAL HG1 H 1.00 0.02 2 470 50 51 VAL HG2 H 1.00 0.02 2 471 50 51 VAL CA C 65.68 0.05 1 472 50 51 VAL CB C 31.39 0.05 1 473 50 51 VAL CG1 C 22.58 0.05 2 474 50 51 VAL CG2 C 22.58 0.05 2 475 50 51 VAL N N 119.01 0.05 1 476 51 52 GLY H H 9.12 0.02 1 477 51 52 GLY HA2 H 4.51 0.02 2 478 51 52 GLY HA3 H 3.53 0.02 2 479 51 52 GLY CA C 44.94 0.05 1 480 51 52 GLY N N 115.45 0.05 1 481 52 53 SER H H 8.43 0.02 1 482 52 53 SER HA H 4.61 0.02 1 483 52 53 SER HB2 H 4.16 0.02 2 484 52 53 SER HB3 H 4.10 0.02 2 485 52 53 SER CA C 59.31 0.05 1 486 52 53 SER CB C 64.63 0.05 1 487 52 53 SER N N 116.62 0.05 1 488 53 54 CYS H H 8.17 0.02 1 489 53 54 CYS HA H 5.10 0.02 1 490 53 54 CYS HB2 H 3.26 0.02 2 491 53 54 CYS HB3 H 3.15 0.02 2 492 53 54 CYS CA C 57.67 0.05 1 493 53 54 CYS CB C 28.35 0.05 1 494 53 54 CYS N N 118.69 0.05 1 495 54 55 ALA H H 8.42 0.02 1 496 54 55 ALA HA H 4.12 0.02 1 497 54 55 ALA HB H 1.13 0.02 1 498 54 55 ALA CA C 52.64 0.05 1 499 54 55 ALA CB C 16.63 0.05 1 500 54 55 ALA N N 118.58 0.05 1 501 55 56 ASP H H 8.47 0.02 1 502 55 56 ASP HA H 4.34 0.02 1 503 55 56 ASP HB2 H 2.56 0.02 2 504 55 56 ASP HB3 H 2.48 0.02 2 505 55 56 ASP CA C 55.05 0.05 1 506 55 56 ASP CB C 46.06 0.05 1 507 55 56 ASP N N 121.50 0.05 1 508 56 57 GLU H H 9.23 0.02 1 509 56 57 GLU HA H 4.04 0.02 1 510 56 57 GLU HB2 H 2.03 0.02 2 511 56 57 GLU HB3 H 1.99 0.02 2 512 56 57 GLU HG2 H 2.28 0.02 2 513 56 57 GLU HG3 H 2.28 0.02 2 514 56 57 GLU CA C 59.64 0.05 1 515 56 57 GLU CB C 29.50 0.05 1 516 56 57 GLU CG C 35.98 0.05 1 517 56 57 GLU N N 127.84 0.05 1 518 57 58 ARG H H 9.22 0.02 1 519 57 58 ARG HA H 3.81 0.02 1 520 57 58 ARG HB2 H 0.29 0.02 2 521 57 58 ARG HB3 H 0.29 0.02 2 522 57 58 ARG HG2 H 1.32 0.02 2 523 57 58 ARG HG3 H 1.32 0.02 2 524 57 58 ARG HD2 H 3.12 0.02 2 525 57 58 ARG HD3 H 2.27 0.02 2 526 57 58 ARG CA C 58.15 0.05 1 527 57 58 ARG CB C 27.27 0.05 1 528 57 58 ARG CG C 25.34 0.05 1 529 57 58 ARG CD C 42.62 0.05 1 530 57 58 ARG N N 120.82 0.05 1 531 58 59 ALA H H 6.68 0.02 1 532 58 59 ALA HA H 4.16 0.02 1 533 58 59 ALA HB H 1.66 0.02 1 534 58 59 ALA CA C 54.78 0.05 1 535 58 59 ALA CB C 18.49 0.05 1 536 58 59 ALA N N 121.59 0.05 1 537 59 60 ALA H H 8.54 0.02 1 538 59 60 ALA HA H 3.86 0.02 1 539 59 60 ALA HB H 1.41 0.02 1 540 59 60 ALA CA C 55.02 0.05 1 541 59 60 ALA CB C 18.07 0.05 1 542 59 60 ALA N N 118.97 0.05 1 543 60 61 GLY H H 8.21 0.02 1 544 60 61 GLY HA2 H 3.93 0.02 2 545 60 61 GLY HA3 H 3.71 0.02 2 546 60 61 GLY CA C 47.27 0.05 1 547 60 61 GLY N N 104.16 0.05 1 548 61 62 VAL H H 7.31 0.02 1 549 61 62 VAL HA H 3.85 0.02 1 550 61 62 VAL HB H 2.04 0.02 1 551 61 62 VAL HG1 H 1.03 0.02 2 552 61 62 VAL HG2 H 0.86 0.02 2 553 61 62 VAL CA C 66.25 0.05 1 554 61 62 VAL CB C 31.89 0.05 1 555 61 62 VAL CG1 C 23.78 0.05 1 556 61 62 VAL CG2 C 22.43 0.05 1 557 61 62 VAL N N 122.82 0.05 1 558 62 63 LEU H H 8.09 0.02 1 559 62 63 LEU HA H 3.98 0.02 1 560 62 63 LEU HB2 H 1.97 0.02 2 561 62 63 LEU HB3 H 1.37 0.02 2 562 62 63 LEU HD1 H 0.74 0.02 2 563 62 63 LEU HD2 H 1.01 0.02 2 564 62 63 LEU CA C 58.95 0.05 1 565 62 63 LEU CB C 41.50 0.05 1 566 62 63 LEU CD1 C 24.29 0.05 1 567 62 63 LEU CD2 C 22.51 0.05 1 568 62 63 LEU N N 120.31 0.05 1 569 63 64 ARG H H 8.74 0.02 1 570 63 64 ARG HA H 4.18 0.02 1 571 63 64 ARG HB2 H 1.93 0.02 2 572 63 64 ARG HB3 H 1.83 0.02 2 573 63 64 ARG HG2 H 1.70 0.02 2 574 63 64 ARG HG3 H 1.61 0.02 2 575 63 64 ARG HD2 H 3.24 0.02 2 576 63 64 ARG HD3 H 3.24 0.02 2 577 63 64 ARG CA C 59.45 0.05 1 578 63 64 ARG CB C 30.38 0.05 1 579 63 64 ARG CG C 27.46 0.05 1 580 63 64 ARG CD C 43.40 0.05 1 581 63 64 ARG N N 119.44 0.05 1 582 64 65 ALA H H 7.91 0.02 1 583 64 65 ALA HA H 4.03 0.02 1 584 64 65 ALA HB H 1.32 0.02 1 585 64 65 ALA CA C 54.54 0.05 1 586 64 65 ALA CB C 18.08 0.05 1 587 64 65 ALA N N 122.56 0.05 1 588 65 66 HIS H H 7.41 0.02 1 589 65 66 HIS HA H 4.64 0.02 1 590 65 66 HIS HB2 H 3.80 0.02 2 591 65 66 HIS HB3 H 2.85 0.02 2 592 65 66 HIS HD2 H 6.93 0.02 1 593 65 66 HIS HE1 H 8.25 0.02 1 594 65 66 HIS CA C 55.50 0.05 1 595 65 66 HIS CB C 30.32 0.05 1 596 65 66 HIS CD2 C 121.77 0.05 1 597 65 66 HIS CE1 C 135.94 0.05 1 598 65 66 HIS N N 112.69 0.05 1 599 66 67 GLY H H 7.85 0.02 1 600 66 67 GLY HA2 H 3.94 0.02 2 601 66 67 GLY HA3 H 3.78 0.02 2 602 66 67 GLY CA C 46.36 0.05 1 603 66 67 GLY N N 107.44 0.05 1 604 67 68 TYR H H 8.38 0.02 1 605 67 68 TYR HA H 4.80 0.02 1 606 67 68 TYR HB2 H 2.64 0.02 2 607 67 68 TYR HB3 H 2.82 0.02 2 608 67 68 TYR HD1 H 7.08 0.02 3 609 67 68 TYR HD2 H 7.08 0.02 3 610 67 68 TYR HE1 H 7.16 0.02 3 611 67 68 TYR HE2 H 7.16 0.02 3 612 67 68 TYR CA C 57.10 0.05 1 613 67 68 TYR CB C 39.86 0.05 1 614 67 68 TYR CD1 C 133.39 0.05 3 615 67 68 TYR CD2 C 133.39 0.05 3 616 67 68 TYR CE1 C 118.62 0.05 3 617 67 68 TYR CE2 C 118.62 0.05 3 618 67 68 TYR N N 119.94 0.05 1 619 68 69 PRO HA H 4.56 0.02 1 620 68 69 PRO HB2 H 2.49 0.02 2 621 68 69 PRO HB3 H 2.05 0.02 2 622 68 69 PRO HG2 H 2.22 0.02 2 623 68 69 PRO HG3 H 2.10 0.02 2 624 68 69 PRO HD2 H 4.08 0.02 2 625 68 69 PRO HD3 H 3.58 0.02 2 626 68 69 PRO CA C 62.60 0.05 1 627 68 69 PRO CB C 32.81 0.05 1 628 68 69 PRO CG C 27.86 0.05 1 629 68 69 PRO CD C 50.79 0.05 1 630 69 70 THR H H 7.86 0.02 1 631 69 70 THR HA H 4.30 0.02 1 632 69 70 THR HB H 4.28 0.02 1 633 69 70 THR HG2 H 1.24 0.02 1 634 69 70 THR CA C 61.25 0.05 1 635 69 70 THR CB C 70.74 0.05 1 636 69 70 THR CG2 C 23.06 0.05 1 637 69 70 THR N N 100.66 0.05 1 638 70 71 ASP H H 7.94 0.02 1 639 70 71 ASP HA H 4.41 0.02 1 640 70 71 ASP HB2 H 2.61 0.02 2 641 70 71 ASP HB3 H 2.61 0.02 2 642 70 71 ASP CA C 55.87 0.05 1 643 70 71 ASP CB C 40.97 0.05 1 644 70 71 ASP N N 122.88 0.05 1 645 71 72 HIS H H 8.00 0.02 1 646 71 72 HIS HA H 4.70 0.02 1 647 71 72 HIS HB2 H 2.80 0.02 2 648 71 72 HIS HB3 H 2.80 0.02 2 649 71 72 HIS HD2 H 6.38 0.02 1 650 71 72 HIS HE1 H 7.69 0.02 1 651 71 72 HIS HE2 H 10.57 0.02 1 652 71 72 HIS CA C 57.39 0.05 1 653 71 72 HIS CB C 35.34 0.05 1 654 71 72 HIS CD2 C 115.54 0.05 1 655 71 72 HIS CE1 C 139.38 0.05 1 656 71 72 HIS N N 121.72 0.05 1 657 72 73 ARG H H 7.23 0.02 1 658 72 73 ARG HA H 4.29 0.02 1 659 72 73 ARG HB2 H 1.44 0.02 2 660 72 73 ARG HB3 H 1.49 0.02 2 661 72 73 ARG HG2 H 1.40 0.02 2 662 72 73 ARG HG3 H 1.48 0.02 2 663 72 73 ARG HD2 H 3.17 0.02 2 664 72 73 ARG HD3 H 3.12 0.02 2 665 72 73 ARG CA C 54.43 0.05 1 666 72 73 ARG CB C 32.31 0.05 1 667 72 73 ARG CG C 27.02 0.05 1 668 72 73 ARG CD C 43.30 0.05 1 669 72 73 ARG N N 125.76 0.05 1 670 73 74 ALA H H 9.09 0.02 1 671 73 74 ALA HA H 4.63 0.02 1 672 73 74 ALA HB H 1.41 0.02 1 673 73 74 ALA CA C 52.18 0.05 1 674 73 74 ALA CB C 18.90 0.05 1 675 73 74 ALA N N 127.97 0.05 1 676 74 75 ALA H H 9.41 0.02 1 677 74 75 ALA HA H 4.79 0.02 1 678 74 75 ALA HB H 1.50 0.02 1 679 74 75 ALA CA C 50.97 0.05 1 680 74 75 ALA CB C 23.62 0.05 1 681 74 75 ALA N N 126.09 0.05 1 682 75 76 GLN H H 8.80 0.02 1 683 75 76 GLN HA H 4.95 0.02 1 684 75 76 GLN HB2 H 1.85 0.02 2 685 75 76 GLN HB3 H 1.49 0.02 2 686 75 76 GLN HG2 H 2.55 0.02 2 687 75 76 GLN HG3 H 2.20 0.02 2 688 75 76 GLN HE21 H 7.20 0.02 2 689 75 76 GLN HE22 H 6.76 0.02 2 690 75 76 GLN CA C 53.55 0.05 1 691 75 76 GLN CB C 30.05 0.05 1 692 75 76 GLN CG C 33.54 0.05 1 693 75 76 GLN N N 123.26 0.05 1 694 75 76 GLN NE2 N 110.00 0.05 1 695 76 77 VAL H H 8.55 0.02 1 696 76 77 VAL HA H 3.30 0.02 1 697 76 77 VAL HB H 1.64 0.02 1 698 76 77 VAL HG1 H 0.72 0.02 2 699 76 77 VAL HG2 H 0.62 0.02 2 700 76 77 VAL CA C 63.58 0.05 1 701 76 77 VAL CB C 32.49 0.05 1 702 76 77 VAL CG1 C 21.80 0.05 1 703 76 77 VAL CG2 C 22.66 0.05 1 704 76 77 VAL N N 125.51 0.05 1 705 77 78 GLY H H 10.93 0.02 1 706 77 78 GLY HA2 H 4.64 0.02 2 707 77 78 GLY HA3 H 4.02 0.02 2 708 77 78 GLY CA C 43.84 0.05 1 709 77 78 GLY N N 121.85 0.05 1 710 78 79 THR H H 8.54 0.02 1 711 78 79 THR HA H 3.70 0.02 1 712 78 79 THR HB H 4.07 0.02 1 713 78 79 THR HG2 H 1.24 0.02 1 714 78 79 THR CA C 66.44 0.05 1 715 78 79 THR CB C 68.77 0.05 1 716 78 79 THR CG2 C 22.11 0.05 1 717 78 79 THR N N 115.21 0.05 1 718 79 80 GLU H H 9.11 0.02 1 719 79 80 GLU HA H 3.96 0.02 1 720 79 80 GLU HB2 H 1.58 0.02 2 721 79 80 GLU HB3 H 1.67 0.02 2 722 79 80 GLU HG2 H 1.88 0.02 2 723 79 80 GLU HG3 H 1.74 0.02 2 724 79 80 GLU CA C 59.03 0.05 1 725 79 80 GLU CB C 29.06 0.05 1 726 79 80 GLU CG C 35.59 0.05 1 727 79 80 GLU N N 119.36 0.05 1 728 80 81 HIS H H 7.04 0.02 1 729 80 81 HIS HA H 3.94 0.02 1 730 80 81 HIS HB2 H 3.03 0.02 2 731 80 81 HIS HB3 H 2.94 0.02 2 732 80 81 HIS HD2 H 7.06 0.02 1 733 80 81 HIS HE1 H 7.54 0.02 1 734 80 81 HIS CA C 60.42 0.05 1 735 80 81 HIS CB C 30.93 0.05 1 736 80 81 HIS CD2 C 116.39 0.05 1 737 80 81 HIS CE1 C 138.39 0.05 1 738 80 81 HIS N N 118.38 0.05 1 739 81 82 LEU H H 7.85 0.02 1 740 81 82 LEU HA H 3.90 0.02 1 741 81 82 LEU HB2 H 1.65 0.02 2 742 81 82 LEU HB3 H 1.38 0.02 2 743 81 82 LEU HG H 1.64 0.02 1 744 81 82 LEU HD1 H 0.75 0.02 2 745 81 82 LEU HD2 H 0.56 0.02 2 746 81 82 LEU CA C 56.68 0.05 1 747 81 82 LEU CB C 40.73 0.05 1 748 81 82 LEU CG C 26.63 0.05 1 749 81 82 LEU CD1 C 25.44 0.05 1 750 81 82 LEU CD2 C 22.58 0.05 1 751 81 82 LEU N N 114.01 0.05 1 752 82 83 ALA H H 6.95 0.02 1 753 82 83 ALA HA H 4.39 0.02 1 754 82 83 ALA HB H 1.38 0.02 1 755 82 83 ALA CA C 51.20 0.05 1 756 82 83 ALA CB C 19.18 0.05 1 757 82 83 ALA N N 119.05 0.05 1 758 83 84 ALA H H 7.28 0.02 1 759 83 84 ALA HA H 3.76 0.02 1 760 83 84 ALA HB H 0.74 0.02 1 761 83 84 ALA CA C 53.35 0.05 1 762 83 84 ALA CB C 17.32 0.05 1 763 83 84 ALA N N 122.50 0.05 1 764 84 85 ASP H H 8.44 0.02 1 765 84 85 ASP HA H 4.41 0.02 1 766 84 85 ASP HB2 H 2.67 0.02 2 767 84 85 ASP HB3 H 2.74 0.02 2 768 84 85 ASP CA C 57.64 0.05 1 769 84 85 ASP CB C 42.90 0.05 1 770 84 85 ASP N N 118.74 0.05 1 771 85 86 LEU H H 7.28 0.02 1 772 85 86 LEU HA H 4.18 0.02 1 773 85 86 LEU HB2 H 1.02 0.02 2 774 85 86 LEU HB3 H 0.83 0.02 2 775 85 86 LEU HG H 0.71 0.02 1 776 85 86 LEU HD1 H -0.79 0.02 2 777 85 86 LEU HD2 H 0.37 0.02 2 778 85 86 LEU CA C 55.04 0.05 1 779 85 86 LEU CB C 45.17 0.05 1 780 85 86 LEU CG C 26.14 0.05 1 781 85 86 LEU CD1 C 24.80 0.05 1 782 85 86 LEU CD2 C 21.19 0.05 1 783 85 86 LEU N N 115.18 0.05 1 784 86 87 LEU H H 8.78 0.02 1 785 86 87 LEU HA H 4.69 0.02 1 786 86 87 LEU HB2 H 1.66 0.02 2 787 86 87 LEU HB3 H 1.12 0.02 2 788 86 87 LEU HG H 1.47 0.02 1 789 86 87 LEU HD1 H 0.73 0.02 2 790 86 87 LEU HD2 H 0.78 0.02 2 791 86 87 LEU CA C 55.38 0.05 1 792 86 87 LEU CB C 42.17 0.05 1 793 86 87 LEU CG C 29.73 0.05 1 794 86 87 LEU CD1 C 29.07 0.05 1 795 86 87 LEU CD2 C 26.34 0.05 1 796 86 87 LEU N N 128.14 0.05 1 797 87 88 VAL H H 9.01 0.02 1 798 87 88 VAL HA H 4.63 0.02 1 799 87 88 VAL HB H 1.61 0.02 1 800 87 88 VAL HG1 H 0.74 0.02 2 801 87 88 VAL HG2 H 0.03 0.02 2 802 87 88 VAL CA C 59.91 0.05 1 803 87 88 VAL CB C 30.84 0.05 1 804 87 88 VAL CG1 C 22.79 0.05 1 805 87 88 VAL CG2 C 20.83 0.05 1 806 87 88 VAL N N 122.63 0.05 1 807 88 89 ALA H H 8.59 0.02 1 808 88 89 ALA HA H 4.52 0.02 1 809 88 89 ALA HB H 1.37 0.02 1 810 88 89 ALA CA C 50.78 0.05 1 811 88 89 ALA CB C 20.78 0.05 1 812 88 89 ALA N N 129.82 0.05 1 813 89 90 LEU H H 8.57 0.02 1 814 89 90 LEU HA H 4.31 0.02 1 815 89 90 LEU HB2 H 2.59 0.02 2 816 89 90 LEU HB3 H 1.62 0.02 2 817 89 90 LEU HD1 H 0.84 0.02 2 818 89 90 LEU HD2 H 0.84 0.02 2 819 89 90 LEU CA C 55.45 0.05 1 820 89 90 LEU CB C 38.02 0.05 1 821 89 90 LEU CD1 C 25.91 0.05 2 822 89 90 LEU CD2 C 25.91 0.05 2 823 89 90 LEU N N 129.28 0.05 1 824 90 91 ASP H H 11.45 0.02 1 825 90 91 ASP HA H 4.80 0.02 1 826 90 91 ASP HB2 H 2.98 0.02 2 827 90 91 ASP HB3 H 2.48 0.02 2 828 90 91 ASP CA C 52.95 0.05 1 829 90 91 ASP CB C 43.81 0.05 1 830 90 91 ASP N N 126.91 0.05 1 831 91 92 ARG H H 8.65 0.02 1 832 91 92 ARG HA H 4.02 0.02 1 833 91 92 ARG HB2 H 1.87 0.02 2 834 91 92 ARG HB3 H 1.87 0.02 2 835 91 92 ARG HG2 H 1.74 0.02 2 836 91 92 ARG HG3 H 1.62 0.02 2 837 91 92 ARG HD2 H 3.16 0.02 2 838 91 92 ARG HD3 H 3.16 0.02 2 839 91 92 ARG CA C 58.83 0.05 1 840 91 92 ARG CB C 30.28 0.05 1 841 91 92 ARG CG C 26.74 0.05 1 842 91 92 ARG CD C 43.47 0.05 1 843 91 92 ARG N N 116.95 0.05 1 844 92 93 ASN H H 8.61 0.02 1 845 92 93 ASN HA H 4.38 0.02 1 846 92 93 ASN HB2 H 2.80 0.02 2 847 92 93 ASN HB3 H 2.57 0.02 2 848 92 93 ASN HD21 H 7.51 0.02 2 849 92 93 ASN HD22 H 7.03 0.02 2 850 92 93 ASN CA C 56.13 0.05 1 851 92 93 ASN CB C 37.62 0.05 1 852 92 93 ASN N N 120.74 0.05 1 853 92 93 ASN ND2 N 115.19 0.05 1 854 93 94 HIS H H 7.43 0.02 1 855 93 94 HIS HA H 4.19 0.02 1 856 93 94 HIS HB2 H 3.43 0.02 2 857 93 94 HIS HB3 H 2.95 0.02 2 858 93 94 HIS HD2 H 6.84 0.02 1 859 93 94 HIS HE1 H 7.25 0.02 1 860 93 94 HIS CA C 59.51 0.05 1 861 93 94 HIS CB C 31.38 0.05 1 862 93 94 HIS CD2 C 116.79 0.05 1 863 93 94 HIS CE1 C 135.00 0.05 1 864 93 94 HIS N N 121.17 0.05 1 865 94 95 ALA H H 7.19 0.02 1 866 94 95 ALA HA H 3.74 0.02 1 867 94 95 ALA HB H 1.29 0.02 1 868 94 95 ALA CA C 55.50 0.05 1 869 94 95 ALA CB C 17.97 0.05 1 870 94 95 ALA N N 118.27 0.05 1 871 95 96 ARG H H 7.60 0.02 1 872 95 96 ARG HA H 3.91 0.02 1 873 95 96 ARG HB2 H 1.94 0.02 2 874 95 96 ARG HB3 H 1.90 0.02 2 875 95 96 ARG HG2 H 1.73 0.02 2 876 95 96 ARG HG3 H 1.50 0.02 2 877 95 96 ARG HD2 H 3.19 0.02 2 878 95 96 ARG HD3 H 3.19 0.02 2 879 95 96 ARG CA C 59.50 0.05 1 880 95 96 ARG CB C 30.23 0.05 1 881 95 96 ARG CG C 27.47 0.05 1 882 95 96 ARG CD C 43.29 0.05 1 883 95 96 ARG N N 117.19 0.05 1 884 96 97 LEU H H 7.99 0.02 1 885 96 97 LEU HA H 4.08 0.02 1 886 96 97 LEU HB2 H 1.90 0.02 2 887 96 97 LEU HB3 H 1.63 0.02 2 888 96 97 LEU HG H 1.81 0.02 1 889 96 97 LEU HD1 H 0.93 0.02 2 890 96 97 LEU HD2 H 0.94 0.02 2 891 96 97 LEU CA C 57.90 0.05 1 892 96 97 LEU CB C 41.34 0.05 1 893 96 97 LEU CG C 27.51 0.05 1 894 96 97 LEU CD1 C 23.26 0.05 1 895 96 97 LEU CD2 C 24.94 0.05 1 896 96 97 LEU N N 120.70 0.05 1 897 97 98 LEU H H 8.21 0.02 1 898 97 98 LEU HA H 3.91 0.02 1 899 97 98 LEU HB2 H 1.93 0.02 2 900 97 98 LEU HB3 H 1.03 0.02 2 901 97 98 LEU HG H 2.02 0.02 1 902 97 98 LEU HD1 H 0.72 0.02 2 903 97 98 LEU HD2 H 0.67 0.02 2 904 97 98 LEU CA C 58.10 0.05 1 905 97 98 LEU CB C 41.89 0.05 1 906 97 98 LEU CG C 26.55 0.05 1 907 97 98 LEU CD1 C 21.81 0.05 1 908 97 98 LEU CD2 C 25.43 0.05 1 909 97 98 LEU N N 118.39 0.05 1 910 98 99 ARG H H 7.74 0.02 1 911 98 99 ARG HA H 4.48 0.02 1 912 98 99 ARG HB2 H 2.00 0.02 2 913 98 99 ARG HB3 H 1.87 0.02 2 914 98 99 ARG HG2 H 1.60 0.02 2 915 98 99 ARG HG3 H 1.85 0.02 2 916 98 99 ARG HD2 H 3.17 0.02 2 917 98 99 ARG HD3 H 3.28 0.02 2 918 98 99 ARG CA C 58.36 0.05 1 919 98 99 ARG CB C 28.74 0.05 1 920 98 99 ARG CG C 27.44 0.05 1 921 98 99 ARG CD C 41.90 0.05 1 922 98 99 ARG N N 117.47 0.05 1 923 99 100 GLN H H 8.03 0.02 1 924 99 100 GLN HA H 4.07 0.02 1 925 99 100 GLN HB2 H 2.23 0.02 2 926 99 100 GLN HB3 H 2.31 0.02 2 927 99 100 GLN HG2 H 2.40 0.02 2 928 99 100 GLN HG3 H 2.55 0.02 2 929 99 100 GLN HE21 H 7.40 0.02 2 930 99 100 GLN HE22 H 6.75 0.02 2 931 99 100 GLN CA C 58.68 0.05 1 932 99 100 GLN CB C 28.32 0.05 1 933 99 100 GLN CG C 34.34 0.05 1 934 99 100 GLN N N 121.40 0.05 1 935 99 100 GLN NE2 N 110.31 0.05 1 936 100 101 LEU H H 7.78 0.02 1 937 100 101 LEU HA H 4.26 0.02 1 938 100 101 LEU HB2 H 1.95 0.02 2 939 100 101 LEU HB3 H 1.66 0.02 2 940 100 101 LEU HG H 1.89 0.02 1 941 100 101 LEU HD1 H 0.83 0.02 2 942 100 101 LEU HD2 H 0.81 0.02 2 943 100 101 LEU CA C 55.46 0.05 1 944 100 101 LEU CB C 42.24 0.05 1 945 100 101 LEU CG C 26.41 0.05 1 946 100 101 LEU CD1 C 22.35 0.05 1 947 100 101 LEU CD2 C 25.69 0.05 1 948 100 101 LEU N N 118.94 0.05 1 949 101 102 GLY H H 7.70 0.02 1 950 101 102 GLY HA2 H 4.30 0.02 2 951 101 102 GLY HA3 H 3.61 0.02 2 952 101 102 GLY CA C 45.03 0.05 1 953 101 102 GLY N N 105.74 0.05 1 954 102 103 VAL H H 7.52 0.02 1 955 102 103 VAL HA H 3.63 0.02 1 956 102 103 VAL HB H 1.48 0.02 1 957 102 103 VAL HG1 H 0.88 0.02 2 958 102 103 VAL HG2 H 0.94 0.02 2 959 102 103 VAL CA C 63.60 0.05 1 960 102 103 VAL CB C 31.49 0.05 1 961 102 103 VAL CG1 C 22.96 0.05 1 962 102 103 VAL CG2 C 23.00 0.05 1 963 102 103 VAL N N 122.33 0.05 1 964 103 104 GLU H H 9.21 0.02 1 965 103 104 GLU HA H 4.17 0.02 1 966 103 104 GLU HB2 H 2.20 0.02 2 967 103 104 GLU HB3 H 2.11 0.02 2 968 103 104 GLU HG2 H 2.48 0.02 2 969 103 104 GLU HG3 H 2.33 0.02 2 970 103 104 GLU CA C 56.92 0.05 1 971 103 104 GLU CB C 28.95 0.05 1 972 103 104 GLU CG C 36.02 0.05 1 973 103 104 GLU N N 128.99 0.05 1 974 104 105 ALA H H 8.50 0.02 1 975 104 105 ALA HA H 3.76 0.02 1 976 104 105 ALA HB H 1.40 0.02 1 977 104 105 ALA CA C 55.64 0.05 1 978 104 105 ALA CB C 18.14 0.05 1 979 104 105 ALA N N 124.41 0.05 1 980 105 106 ALA H H 8.27 0.02 1 981 105 106 ALA HA H 4.13 0.02 1 982 105 106 ALA HB H 1.45 0.02 1 983 105 106 ALA CA C 54.04 0.05 1 984 105 106 ALA CB C 19.06 0.05 1 985 105 106 ALA N N 115.11 0.05 1 986 106 107 ARG H H 7.74 0.02 1 987 106 107 ARG HA H 4.46 0.02 1 988 106 107 ARG HB2 H 1.95 0.02 2 989 106 107 ARG HB3 H 1.58 0.02 2 990 106 107 ARG HG2 H 1.70 0.02 2 991 106 107 ARG HG3 H 1.60 0.02 2 992 106 107 ARG HD2 H 3.41 0.02 2 993 106 107 ARG HD3 H 3.25 0.02 2 994 106 107 ARG CA C 56.51 0.05 1 995 106 107 ARG CB C 32.37 0.05 1 996 106 107 ARG CG C 29.61 0.05 1 997 106 107 ARG CD C 44.13 0.05 1 998 106 107 ARG N N 115.08 0.05 1 999 107 108 VAL H H 7.29 0.02 1 1000 107 108 VAL HA H 5.07 0.02 1 1001 107 108 VAL HB H 1.85 0.02 1 1002 107 108 VAL HG1 H 0.77 0.02 2 1003 107 108 VAL HG2 H 0.74 0.02 2 1004 107 108 VAL CA C 60.64 0.05 1 1005 107 108 VAL CB C 33.60 0.05 1 1006 107 108 VAL CG1 C 21.02 0.05 1 1007 107 108 VAL CG2 C 22.05 0.05 1 1008 107 108 VAL N N 118.17 0.05 1 1009 108 109 ARG H H 8.42 0.02 1 1010 108 109 ARG HA H 4.62 0.02 1 1011 108 109 ARG HB2 H 1.39 0.02 2 1012 108 109 ARG HB3 H 1.23 0.02 2 1013 108 109 ARG HG2 H 1.34 0.02 2 1014 108 109 ARG HG3 H 1.26 0.02 2 1015 108 109 ARG HD2 H 3.02 0.02 2 1016 108 109 ARG HD3 H 3.02 0.02 2 1017 108 109 ARG CA C 51.89 0.05 1 1018 108 109 ARG CB C 34.98 0.05 1 1019 108 109 ARG CG C 26.73 0.05 1 1020 108 109 ARG CD C 41.47 0.05 1 1021 108 109 ARG N N 124.25 0.05 1 1022 109 110 MET H H 8.89 0.02 1 1023 109 110 MET HA H 4.96 0.02 1 1024 109 110 MET HB2 H 2.32 0.02 2 1025 109 110 MET HB3 H 1.78 0.02 2 1026 109 110 MET HG2 H 2.52 0.02 2 1027 109 110 MET HG3 H 2.38 0.02 2 1028 109 110 MET HE H 1.83 0.02 1 1029 109 110 MET CA C 53.82 0.05 1 1030 109 110 MET CB C 30.68 0.05 1 1031 109 110 MET CG C 31.89 0.05 1 1032 109 110 MET CE C 15.82 0.05 1 1033 109 110 MET N N 119.57 0.05 1 1034 110 111 LEU H H 9.20 0.02 1 1035 110 111 LEU HA H 3.96 0.02 1 1036 110 111 LEU HB2 H 1.84 0.02 2 1037 110 111 LEU HB3 H 1.55 0.02 2 1038 110 111 LEU HG H 1.46 0.02 1 1039 110 111 LEU HD1 H 0.84 0.02 2 1040 110 111 LEU HD2 H 0.81 0.02 2 1041 110 111 LEU CA C 59.60 0.05 1 1042 110 111 LEU CB C 41.08 0.05 1 1043 110 111 LEU CG C 27.24 0.05 1 1044 110 111 LEU CD1 C 24.44 0.05 1 1045 110 111 LEU CD2 C 27.79 0.05 1 1046 110 111 LEU N N 128.66 0.05 1 1047 111 112 ARG H H 8.93 0.02 1 1048 111 112 ARG HA H 3.95 0.02 1 1049 111 112 ARG HB2 H 2.02 0.02 2 1050 111 112 ARG HB3 H 1.87 0.02 2 1051 111 112 ARG HG2 H 1.59 0.02 2 1052 111 112 ARG HG3 H 1.87 0.02 2 1053 111 112 ARG HD2 H 3.30 0.02 2 1054 111 112 ARG HD3 H 3.17 0.02 2 1055 111 112 ARG CA C 59.92 0.05 1 1056 111 112 ARG CB C 28.50 0.05 1 1057 111 112 ARG CG C 28.20 0.05 1 1058 111 112 ARG CD C 43.44 0.05 1 1059 111 112 ARG N N 111.91 0.05 1 1060 112 113 SER H H 7.68 0.02 1 1061 112 113 SER HA H 4.29 0.02 1 1062 112 113 SER HB2 H 3.89 0.02 2 1063 112 113 SER HB3 H 3.70 0.02 2 1064 112 113 SER CA C 60.88 0.05 1 1065 112 113 SER CB C 63.19 0.05 1 1066 112 113 SER N N 114.80 0.05 1 1067 113 114 PHE H H 7.60 0.02 1 1068 113 114 PHE HA H 4.35 0.02 1 1069 113 114 PHE HB2 H 3.03 0.02 2 1070 113 114 PHE HB3 H 3.41 0.02 2 1071 113 114 PHE HD1 H 7.25 0.02 3 1072 113 114 PHE HD2 H 7.25 0.02 3 1073 113 114 PHE HE1 H 6.78 0.02 3 1074 113 114 PHE HE2 H 6.78 0.02 3 1075 113 114 PHE HZ H 6.24 0.02 1 1076 113 114 PHE CA C 59.93 0.05 1 1077 113 114 PHE CB C 39.72 0.05 1 1078 113 114 PHE CD1 C 131.83 0.05 3 1079 113 114 PHE CD2 C 131.83 0.05 3 1080 113 114 PHE CE1 C 130.37 0.05 3 1081 113 114 PHE CE2 C 130.37 0.05 3 1082 113 114 PHE CZ C 128.67 0.05 1 1083 113 114 PHE N N 119.26 0.05 1 1084 114 115 ASP H H 7.43 0.02 1 1085 114 115 ASP HA H 5.02 0.02 1 1086 114 115 ASP HB2 H 3.25 0.02 2 1087 114 115 ASP HB3 H 2.37 0.02 2 1088 114 115 ASP CA C 51.10 0.05 1 1089 114 115 ASP CB C 42.51 0.05 1 1090 114 115 ASP N N 121.17 0.05 1 1091 115 116 PRO HA H 4.49 0.02 1 1092 115 116 PRO HB2 H 2.41 0.02 2 1093 115 116 PRO HB3 H 2.04 0.02 2 1094 115 116 PRO HG2 H 2.03 0.02 2 1095 115 116 PRO HG3 H 2.15 0.02 2 1096 115 116 PRO HD2 H 4.19 0.02 2 1097 115 116 PRO HD3 H 4.03 0.02 2 1098 115 116 PRO CA C 64.35 0.05 1 1099 115 116 PRO CB C 32.27 0.05 1 1100 115 116 PRO CG C 27.14 0.05 1 1101 115 116 PRO CD C 51.47 0.05 1 1102 116 117 ARG H H 8.58 0.02 1 1103 116 117 ARG HA H 4.27 0.02 1 1104 116 117 ARG HB2 H 1.93 0.02 2 1105 116 117 ARG HB3 H 1.79 0.02 2 1106 116 117 ARG HG2 H 1.66 0.02 2 1107 116 117 ARG HG3 H 1.66 0.02 2 1108 116 117 ARG HD2 H 3.23 0.02 2 1109 116 117 ARG HD3 H 3.23 0.02 2 1110 116 117 ARG CA C 56.45 0.05 1 1111 116 117 ARG CB C 29.96 0.05 1 1112 116 117 ARG CG C 27.39 0.05 1 1113 116 117 ARG CD C 43.32 0.05 1 1114 116 117 ARG N N 117.91 0.05 1 1115 117 118 SER H H 7.95 0.02 1 1116 117 118 SER HA H 3.98 0.02 1 1117 117 118 SER HB2 H 3.88 0.02 2 1118 117 118 SER HB3 H 3.98 0.02 2 1119 117 118 SER CA C 59.79 0.05 1 1120 117 118 SER CB C 63.76 0.05 1 1121 117 118 SER N N 116.13 0.05 1 1122 118 119 GLY H H 8.15 0.02 1 1123 118 119 GLY HA2 H 4.06 0.02 2 1124 118 119 GLY HA3 H 3.93 0.02 2 1125 118 119 GLY CA C 45.37 0.05 1 1126 118 119 GLY N N 110.08 0.05 1 1127 119 120 THR HA H 4.02 0.02 1 1128 119 120 THR HB H 4.13 0.02 1 1129 119 120 THR HG2 H 1.05 0.02 1 1130 119 120 THR CA C 63.29 0.05 1 1131 119 120 THR CB C 69.14 0.05 1 1132 119 120 THR CG2 C 21.62 0.05 1 1133 120 121 HIS HA H 4.57 0.02 1 1134 120 121 HIS HB2 H 3.00 0.02 2 1135 120 121 HIS HB3 H 3.00 0.02 2 1136 120 121 HIS HD2 H 6.96 0.02 1 1137 120 121 HIS CA C 56.01 0.05 1 1138 120 121 HIS CB C 30.99 0.05 1 1139 120 121 HIS CD2 C 119.66 0.05 1 1140 121 122 ALA H H 7.98 0.02 1 1141 121 122 ALA HA H 4.34 0.02 1 1142 121 122 ALA HB H 1.17 0.02 1 1143 121 122 ALA CA C 51.51 0.05 1 1144 121 122 ALA CB C 18.60 0.05 1 1145 121 122 ALA N N 125.88 0.05 1 1146 122 123 LEU H H 7.81 0.02 1 1147 122 123 LEU HA H 4.28 0.02 1 1148 122 123 LEU HB2 H 1.44 0.02 2 1149 122 123 LEU HB3 H 1.44 0.02 2 1150 122 123 LEU HG H 1.40 0.02 1 1151 122 123 LEU HD1 H 0.72 0.02 2 1152 122 123 LEU HD2 H 0.81 0.02 2 1153 122 123 LEU CA C 54.49 0.05 1 1154 122 123 LEU CB C 43.70 0.05 1 1155 122 123 LEU CG C 27.02 0.05 1 1156 122 123 LEU CD1 C 22.82 0.05 1 1157 122 123 LEU CD2 C 25.48 0.05 1 1158 122 123 LEU N N 119.81 0.05 1 1159 123 124 ASP H H 8.27 0.02 1 1160 123 124 ASP HA H 4.57 0.02 1 1161 123 124 ASP HB2 H 2.40 0.02 2 1162 123 124 ASP HB3 H 2.57 0.02 2 1163 123 124 ASP CA C 55.32 0.05 1 1164 123 124 ASP CB C 42.67 0.05 1 1165 123 124 ASP N N 119.05 0.05 1 1166 124 125 VAL H H 7.93 0.02 1 1167 124 125 VAL HA H 4.26 0.02 1 1168 124 125 VAL HB H 2.07 0.02 1 1169 124 125 VAL HG1 H 1.01 0.02 2 1170 124 125 VAL HG2 H 0.82 0.02 2 1171 124 125 VAL CA C 62.31 0.05 1 1172 124 125 VAL CB C 30.78 0.05 1 1173 124 125 VAL CG1 C 22.00 0.05 1 1174 124 125 VAL CG2 C 22.18 0.05 1 1175 124 125 VAL N N 121.97 0.05 1 1176 125 126 GLU H H 9.10 0.02 1 1177 125 126 GLU HA H 4.08 0.02 1 1178 125 126 GLU HB2 H 1.93 0.02 2 1179 125 126 GLU HB3 H 1.81 0.02 2 1180 125 126 GLU HG2 H 2.28 0.02 2 1181 125 126 GLU HG3 H 2.23 0.02 2 1182 125 126 GLU CA C 57.01 0.05 1 1183 125 126 GLU CB C 29.80 0.05 1 1184 125 126 GLU CG C 36.57 0.05 1 1185 125 126 GLU N N 129.49 0.05 1 1186 126 127 ASP H H 8.63 0.02 1 1187 126 127 ASP HA H 4.11 0.02 1 1188 126 127 ASP HB2 H 2.98 0.02 2 1189 126 127 ASP HB3 H 2.60 0.02 2 1190 126 127 ASP CA C 51.72 0.05 1 1191 126 127 ASP CB C 42.52 0.05 1 1192 126 127 ASP N N 122.30 0.05 1 1193 127 128 PRO HA H 4.55 0.02 1 1194 127 128 PRO HB2 H 1.21 0.02 2 1195 127 128 PRO HB3 H 0.76 0.02 2 1196 127 128 PRO HD2 H 4.01 0.02 2 1197 127 128 PRO HD3 H 3.86 0.02 2 1198 127 128 PRO CA C 62.60 0.05 1 1199 127 128 PRO CB C 30.98 0.05 1 1200 127 128 PRO CD C 48.57 0.05 1 1201 128 129 TYR H H 8.67 0.02 1 1202 128 129 TYR HA H 3.80 0.02 1 1203 128 129 TYR HB2 H 3.16 0.02 2 1204 128 129 TYR HB3 H 2.47 0.02 2 1205 128 129 TYR HE1 H 6.52 0.02 3 1206 128 129 TYR HE2 H 6.52 0.02 3 1207 128 129 TYR CA C 63.12 0.05 1 1208 128 129 TYR CB C 39.39 0.05 1 1209 128 129 TYR CE1 C 118.25 0.05 3 1210 128 129 TYR CE2 C 118.25 0.05 3 1211 128 129 TYR N N 122.38 0.05 1 1212 129 130 TYR H H 8.68 0.02 1 1213 129 130 TYR HA H 4.49 0.02 1 1214 129 130 TYR HB2 H 3.42 0.02 2 1215 129 130 TYR HB3 H 2.64 0.02 2 1216 129 130 TYR HD1 H 7.23 0.02 3 1217 129 130 TYR HD2 H 7.23 0.02 3 1218 129 130 TYR HE1 H 6.97 0.02 3 1219 129 130 TYR HE2 H 6.97 0.02 3 1220 129 130 TYR CA C 58.48 0.05 1 1221 129 130 TYR CB C 36.66 0.05 1 1222 129 130 TYR CD1 C 133.36 0.05 3 1223 129 130 TYR CD2 C 133.36 0.05 3 1224 129 130 TYR CE1 C 118.37 0.05 3 1225 129 130 TYR CE2 C 118.37 0.05 3 1226 129 130 TYR N N 116.30 0.05 1 1227 130 131 GLY H H 8.06 0.02 1 1228 130 131 GLY HA2 H 4.35 0.02 2 1229 130 131 GLY HA3 H 3.84 0.02 2 1230 130 131 GLY CA C 44.08 0.05 1 1231 130 131 GLY N N 110.87 0.05 1 1232 131 132 ASP H H 9.29 0.02 1 1233 131 132 ASP HA H 5.07 0.02 1 1234 131 132 ASP HB2 H 3.04 0.02 2 1235 131 132 ASP HB3 H 2.77 0.02 2 1236 131 132 ASP CA C 52.00 0.05 1 1237 131 132 ASP CB C 43.60 0.05 1 1238 131 132 ASP N N 121.59 0.05 1 1239 132 133 HIS HA H 4.11 0.02 1 1240 132 133 HIS HB2 H 3.14 0.02 2 1241 132 133 HIS HB3 H 3.14 0.02 2 1242 132 133 HIS HD2 H 7.01 0.02 1 1243 132 133 HIS CA C 61.57 0.05 1 1244 132 133 HIS CB C 30.48 0.05 1 1245 132 133 HIS CD2 C 119.33 0.05 1 1246 133 134 SER H H 8.42 0.02 1 1247 133 134 SER HA H 4.18 0.02 1 1248 133 134 SER HB2 H 3.91 0.02 2 1249 133 134 SER HB3 H 3.97 0.02 2 1250 133 134 SER CA C 62.07 0.05 1 1251 133 134 SER CB C 62.16 0.05 1 1252 133 134 SER N N 115.37 0.05 1 1253 134 135 ASP H H 7.98 0.02 1 1254 134 135 ASP HA H 4.53 0.02 1 1255 134 135 ASP HB2 H 2.98 0.02 2 1256 134 135 ASP HB3 H 2.51 0.02 2 1257 134 135 ASP CA C 58.04 0.05 1 1258 134 135 ASP CB C 40.81 0.05 1 1259 134 135 ASP N N 123.36 0.05 1 1260 135 136 PHE H H 7.85 0.02 1 1261 135 136 PHE HA H 3.80 0.02 1 1262 135 136 PHE HB2 H 3.21 0.02 2 1263 135 136 PHE HB3 H 2.66 0.02 2 1264 135 136 PHE CA C 62.82 0.05 1 1265 135 136 PHE CB C 39.35 0.05 1 1266 135 136 PHE N N 118.94 0.05 1 1267 136 137 GLU H H 8.15 0.02 1 1268 136 137 GLU HA H 4.18 0.02 1 1269 136 137 GLU HB2 H 2.17 0.02 2 1270 136 137 GLU HB3 H 2.17 0.02 2 1271 136 137 GLU HG2 H 2.37 0.02 2 1272 136 137 GLU HG3 H 2.20 0.02 2 1273 136 137 GLU CA C 59.50 0.05 1 1274 136 137 GLU CB C 28.99 0.05 1 1275 136 137 GLU CG C 35.88 0.05 1 1276 136 137 GLU N N 121.41 0.05 1 1277 137 138 GLU H H 7.87 0.02 1 1278 137 138 GLU HA H 4.29 0.02 1 1279 137 138 GLU HB2 H 2.16 0.02 2 1280 137 138 GLU HB3 H 2.16 0.02 2 1281 137 138 GLU HG2 H 2.34 0.02 2 1282 137 138 GLU HG3 H 2.34 0.02 2 1283 137 138 GLU CA C 59.40 0.05 1 1284 137 138 GLU CB C 28.89 0.05 1 1285 137 138 GLU CG C 35.75 0.05 1 1286 137 138 GLU N N 121.53 0.05 1 1287 138 139 VAL H H 7.77 0.02 1 1288 138 139 VAL HA H 3.48 0.02 1 1289 138 139 VAL HB H 2.03 0.02 1 1290 138 139 VAL HG1 H 0.82 0.02 2 1291 138 139 VAL HG2 H 0.88 0.02 2 1292 138 139 VAL CA C 67.08 0.05 1 1293 138 139 VAL CB C 31.35 0.05 1 1294 138 139 VAL CG1 C 22.78 0.05 1 1295 138 139 VAL CG2 C 23.86 0.05 1 1296 138 139 VAL N N 119.93 0.05 1 1297 139 140 PHE H H 8.05 0.02 1 1298 139 140 PHE HA H 3.56 0.02 1 1299 139 140 PHE HB2 H 2.90 0.02 2 1300 139 140 PHE HB3 H 3.35 0.02 2 1301 139 140 PHE HD1 H 6.83 0.02 3 1302 139 140 PHE HD2 H 6.83 0.02 3 1303 139 140 PHE HE1 H 6.82 0.02 3 1304 139 140 PHE HE2 H 6.82 0.02 3 1305 139 140 PHE HZ H 7.14 0.02 1 1306 139 140 PHE CA C 62.68 0.05 1 1307 139 140 PHE CB C 39.17 0.05 1 1308 139 140 PHE CD1 C 131.30 0.05 3 1309 139 140 PHE CD2 C 131.30 0.05 3 1310 139 140 PHE CE1 C 130.20 0.05 3 1311 139 140 PHE CE2 C 130.20 0.05 3 1312 139 140 PHE CZ C 129.42 0.05 1 1313 139 140 PHE N N 119.13 0.05 1 1314 140 141 ALA H H 8.01 0.02 1 1315 140 141 ALA HA H 3.99 0.02 1 1316 140 141 ALA HB H 1.60 0.02 1 1317 140 141 ALA CA C 55.12 0.05 1 1318 140 141 ALA CB C 18.30 0.05 1 1319 140 141 ALA N N 121.04 0.05 1 1320 141 142 VAL H H 8.30 0.02 1 1321 141 142 VAL HA H 3.81 0.02 1 1322 141 142 VAL HB H 2.18 0.02 1 1323 141 142 VAL HG1 H 1.12 0.02 2 1324 141 142 VAL HG2 H 0.91 0.02 2 1325 141 142 VAL CA C 65.60 0.05 1 1326 141 142 VAL CB C 31.45 0.05 1 1327 141 142 VAL CG1 C 22.50 0.05 1 1328 141 142 VAL CG2 C 21.70 0.05 1 1329 141 142 VAL N N 118.55 0.05 1 1330 142 143 ILE H H 8.15 0.02 1 1331 142 143 ILE HA H 3.39 0.02 1 1332 142 143 ILE HB H 1.47 0.02 1 1333 142 143 ILE HG12 H 1.85 0.02 2 1334 142 143 ILE HG13 H 0.42 0.02 2 1335 142 143 ILE HG2 H 0.54 0.02 1 1336 142 143 ILE HD1 H 0.55 0.02 1 1337 142 143 ILE CA C 66.05 0.05 1 1338 142 143 ILE CB C 37.31 0.05 1 1339 142 143 ILE CG1 C 28.72 0.05 1 1340 142 143 ILE CG2 C 17.25 0.05 1 1341 142 143 ILE CD1 C 15.26 0.05 1 1342 142 143 ILE N N 121.41 0.05 1 1343 143 144 GLU H H 8.64 0.02 1 1344 143 144 GLU HA H 3.54 0.02 1 1345 143 144 GLU HB2 H 1.84 0.02 2 1346 143 144 GLU HB3 H 1.43 0.02 2 1347 143 144 GLU HG2 H 1.90 0.02 2 1348 143 144 GLU HG3 H 1.84 0.02 2 1349 143 144 GLU CA C 59.76 0.05 1 1350 143 144 GLU CB C 29.73 0.05 1 1351 143 144 GLU CG C 36.83 0.05 1 1352 143 144 GLU N N 119.63 0.05 1 1353 144 145 SER H H 7.64 0.02 1 1354 144 145 SER HA H 4.23 0.02 1 1355 144 145 SER HB2 H 3.91 0.02 2 1356 144 145 SER HB3 H 3.91 0.02 2 1357 144 145 SER CA C 60.81 0.05 1 1358 144 145 SER CB C 63.61 0.05 1 1359 144 145 SER N N 110.92 0.05 1 1360 145 146 ALA H H 7.50 0.02 1 1361 145 146 ALA HA H 4.12 0.02 1 1362 145 146 ALA HB H 1.48 0.02 1 1363 145 146 ALA CA C 53.40 0.05 1 1364 145 146 ALA CB C 20.88 0.05 1 1365 145 146 ALA N N 123.11 0.05 1 1366 146 147 LEU H H 7.41 0.02 1 1367 146 147 LEU HA H 3.94 0.02 1 1368 146 147 LEU HB2 H 2.18 0.02 2 1369 146 147 LEU HB3 H 1.49 0.02 2 1370 146 147 LEU HG H 2.06 0.02 1 1371 146 147 LEU HD1 H 0.39 0.02 2 1372 146 147 LEU HD2 H 0.76 0.02 2 1373 146 147 LEU CA C 59.05 0.05 1 1374 146 147 LEU CB C 39.46 0.05 1 1375 146 147 LEU CG C 25.61 0.05 1 1376 146 147 LEU CD1 C 21.54 0.05 1 1377 146 147 LEU CD2 C 26.33 0.05 1 1378 146 147 LEU N N 114.22 0.05 1 1379 147 148 PRO HA H 4.45 0.02 1 1380 147 148 PRO HB2 H 2.46 0.02 2 1381 147 148 PRO HB3 H 1.90 0.02 2 1382 147 148 PRO HG2 H 2.18 0.02 2 1383 147 148 PRO HG3 H 2.01 0.02 2 1384 147 148 PRO HD2 H 3.93 0.02 2 1385 147 148 PRO HD3 H 3.44 0.02 2 1386 147 148 PRO CA C 67.84 0.05 1 1387 147 148 PRO CB C 31.22 0.05 1 1388 147 148 PRO CG C 28.64 0.05 1 1389 147 148 PRO CD C 51.14 0.05 1 1390 148 149 GLY H H 7.96 0.02 1 1391 148 149 GLY HA2 H 4.64 0.02 2 1392 148 149 GLY HA3 H 4.28 0.02 2 1393 148 149 GLY CA C 47.26 0.05 1 1394 148 149 GLY N N 102.59 0.05 1 1395 149 150 LEU H H 7.62 0.02 1 1396 149 150 LEU HA H 3.63 0.02 1 1397 149 150 LEU HB2 H 1.06 0.02 2 1398 149 150 LEU HB3 H 0.40 0.02 2 1399 149 150 LEU HG H 0.28 0.02 1 1400 149 150 LEU HD1 H -0.46 0.02 2 1401 149 150 LEU HD2 H -0.19 0.02 2 1402 149 150 LEU CA C 57.35 0.05 1 1403 149 150 LEU CB C 41.20 0.05 1 1404 149 150 LEU CG C 26.89 0.05 1 1405 149 150 LEU CD1 C 25.19 0.05 1 1406 149 150 LEU CD2 C 23.80 0.05 1 1407 149 150 LEU N N 128.06 0.05 1 1408 150 151 HIS H H 8.43 0.02 1 1409 150 151 HIS HA H 4.17 0.02 1 1410 150 151 HIS HB2 H 3.46 0.02 2 1411 150 151 HIS HB3 H 3.24 0.02 2 1412 150 151 HIS HD2 H 7.15 0.02 1 1413 150 151 HIS CA C 62.38 0.05 1 1414 150 151 HIS CB C 30.51 0.05 1 1415 150 151 HIS CD2 C 119.88 0.05 1 1416 150 151 HIS N N 120.73 0.05 1 1417 151 152 ASP H H 7.82 0.02 1 1418 151 152 ASP HA H 4.42 0.02 1 1419 151 152 ASP HB2 H 3.03 0.02 2 1420 151 152 ASP HB3 H 2.86 0.02 2 1421 151 152 ASP CA C 57.81 0.05 1 1422 151 152 ASP CB C 40.03 0.05 1 1423 151 152 ASP N N 118.17 0.05 1 1424 152 153 TRP H H 7.90 0.02 1 1425 152 153 TRP HA H 4.11 0.02 1 1426 152 153 TRP HB2 H 3.72 0.02 2 1427 152 153 TRP HB3 H 3.45 0.02 2 1428 152 153 TRP HD1 H 7.47 0.02 1 1429 152 153 TRP HE1 H 10.15 0.02 1 1430 152 153 TRP HZ2 H 7.40 0.02 1 1431 152 153 TRP HH2 H 6.70 0.02 1 1432 152 153 TRP CA C 62.61 0.05 1 1433 152 153 TRP CB C 29.79 0.05 1 1434 152 153 TRP CD1 C 127.38 0.05 1 1435 152 153 TRP CZ2 C 114.88 0.05 1 1436 152 153 TRP CH2 C 123.78 0.05 1 1437 152 153 TRP N N 122.78 0.05 1 1438 152 153 TRP NE1 N 129.05 0.05 1 1439 153 154 VAL H H 8.56 0.02 1 1440 153 154 VAL HA H 3.35 0.02 1 1441 153 154 VAL HB H 2.48 0.02 1 1442 153 154 VAL HG1 H 1.40 0.02 2 1443 153 154 VAL HG2 H 1.01 0.02 2 1444 153 154 VAL CA C 66.98 0.05 1 1445 153 154 VAL CB C 31.90 0.05 1 1446 153 154 VAL CG1 C 23.87 0.05 1 1447 153 154 VAL CG2 C 22.47 0.05 1 1448 153 154 VAL N N 119.46 0.05 1 1449 154 155 ASP H H 8.53 0.02 1 1450 154 155 ASP HA H 4.20 0.02 1 1451 154 155 ASP HB2 H 2.92 0.02 2 1452 154 155 ASP HB3 H 2.62 0.02 2 1453 154 155 ASP CA C 57.57 0.05 1 1454 154 155 ASP CB C 39.86 0.05 1 1455 154 155 ASP N N 120.50 0.05 1 1456 155 156 GLU H H 7.87 0.02 1 1457 155 156 GLU HA H 3.93 0.02 1 1458 155 156 GLU HB2 H 1.96 0.02 2 1459 155 156 GLU HB3 H 1.98 0.02 2 1460 155 156 GLU HG2 H 2.10 0.02 2 1461 155 156 GLU HG3 H 2.31 0.02 2 1462 155 156 GLU CA C 59.16 0.05 1 1463 155 156 GLU CB C 29.29 0.05 1 1464 155 156 GLU CG C 36.26 0.05 1 1465 155 156 GLU N N 120.09 0.05 1 1466 156 157 ARG H H 7.66 0.02 1 1467 156 157 ARG HA H 3.81 0.02 1 1468 156 157 ARG HB2 H 1.45 0.02 2 1469 156 157 ARG HB3 H 1.16 0.02 2 1470 156 157 ARG HG2 H 0.99 0.02 2 1471 156 157 ARG HG3 H 0.71 0.02 2 1472 156 157 ARG HD2 H 2.67 0.02 2 1473 156 157 ARG HD3 H 2.71 0.02 2 1474 156 157 ARG CA C 56.99 0.05 1 1475 156 157 ARG CB C 29.11 0.05 1 1476 156 157 ARG CG C 26.30 0.05 1 1477 156 157 ARG CD C 41.40 0.05 1 1478 156 157 ARG N N 119.23 0.05 1 1479 157 158 LEU H H 8.47 0.02 1 1480 157 158 LEU HA H 4.10 0.02 1 1481 157 158 LEU HB2 H 1.79 0.02 2 1482 157 158 LEU HB3 H 1.44 0.02 2 1483 157 158 LEU HG H 1.83 0.02 1 1484 157 158 LEU HD1 H 0.85 0.02 2 1485 157 158 LEU HD2 H 0.78 0.02 2 1486 157 158 LEU CA C 56.68 0.05 1 1487 157 158 LEU CB C 41.69 0.05 1 1488 157 158 LEU CG C 26.53 0.05 1 1489 157 158 LEU CD1 C 22.83 0.05 1 1490 157 158 LEU CD2 C 26.81 0.05 1 1491 157 158 LEU N N 118.79 0.05 1 1492 158 159 ALA H H 7.49 0.02 1 1493 158 159 ALA HA H 4.19 0.02 1 1494 158 159 ALA HB H 1.41 0.02 1 1495 158 159 ALA CA C 53.28 0.05 1 1496 158 159 ALA CB C 18.39 0.05 1 1497 158 159 ALA N N 120.76 0.05 1 1498 159 160 ARG H H 7.65 0.02 1 1499 159 160 ARG HA H 4.21 0.02 1 1500 159 160 ARG HB2 H 1.87 0.02 2 1501 159 160 ARG HB3 H 1.79 0.02 2 1502 159 160 ARG HG2 H 1.63 0.02 2 1503 159 160 ARG HG3 H 1.70 0.02 2 1504 159 160 ARG HD2 H 3.13 0.02 2 1505 159 160 ARG HD3 H 3.13 0.02 2 1506 159 160 ARG CA C 56.78 0.05 1 1507 159 160 ARG CB C 30.53 0.05 1 1508 159 160 ARG CG C 27.01 0.05 1 1509 159 160 ARG CD C 43.56 0.05 1 1510 159 160 ARG N N 117.81 0.05 1 1511 160 161 ASN H H 8.10 0.02 1 1512 160 161 ASN HA H 4.74 0.02 1 1513 160 161 ASN HB2 H 2.86 0.02 2 1514 160 161 ASN HB3 H 2.74 0.02 2 1515 160 161 ASN HD21 H 7.58 0.02 2 1516 160 161 ASN HD22 H 6.88 0.02 2 1517 160 161 ASN CA C 53.25 0.05 1 1518 160 161 ASN CB C 39.17 0.05 1 1519 160 161 ASN N N 118.56 0.05 1 1520 160 161 ASN ND2 N 111.75 0.05 1 1521 161 162 GLY H H 7.98 0.02 1 1522 161 162 GLY HA2 H 4.04 0.02 2 1523 161 162 GLY HA3 H 4.15 0.02 2 1524 161 162 GLY CA C 44.73 0.05 1 1525 161 162 GLY N N 108.90 0.05 1 1526 162 163 PRO HA H 4.46 0.02 1 1527 162 163 PRO HB2 H 2.25 0.02 2 1528 162 163 PRO HB3 H 2.00 0.02 2 1529 162 163 PRO HG2 H 2.00 0.02 2 1530 162 163 PRO HG3 H 2.00 0.02 2 1531 162 163 PRO HD2 H 3.62 0.02 2 1532 162 163 PRO HD3 H 3.59 0.02 2 1533 162 163 PRO CA C 63.45 0.05 1 1534 162 163 PRO CB C 32.20 0.05 1 1535 162 163 PRO CG C 27.07 0.05 1 1536 162 163 PRO CD C 49.81 0.05 1 1537 163 164 SER H H 7.98 0.02 1 1538 163 164 SER HA H 4.23 0.02 1 1539 163 164 SER HB2 H 3.82 0.02 2 1540 163 164 SER HB3 H 3.82 0.02 2 1541 163 164 SER CA C 60.07 0.05 1 1542 163 164 SER CB C 64.93 0.05 1 1543 163 164 SER N N 121.82 0.05 1 stop_ save_