data_15388 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of F153W cardiac troponin C ; _BMRB_accession_number 15388 _BMRB_flat_file_name bmr15388.str _Entry_type original _Submission_date 2007-07-18 _Accession_date 2007-07-18 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Xu . . 2 Mercier Pascal . . 3 Letourneau Paul-Jean . . 4 Sykes Brian D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 790 "13C chemical shifts" 509 "15N chemical shifts" 154 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-03-13 original author . stop_ _Original_release_date 2008-03-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Effects of Phe-to-Trp mutation and fluorotryptophan incorporation on the solution structure of cardiac troponin C, and analysis of its suitability as a potential probe for in situ NMR studies ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16131667 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Xu . . 2 Mercier Pascal . . 3 Letourneau Paul-Jean . . 4 Sykes Brian . . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 14 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2447 _Page_last 2460 _Year 2005 _Details . loop_ _Keyword 'calcium-binding protein' 'EF-hand protein' 'muscle regulatory protein' 'Trp mutation' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'F153W cTnC' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'F153W cTnC' $F153W Calcium $CA stop_ _System_molecular_weight 18500 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'muscle contraction regulation' stop_ _Database_query_date . _Details 'F153W cTnC' save_ ######################## # Monomeric polymers # ######################## save_F153W _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common F153W _Molecular_mass 18428.521 _Mol_thiol_state 'not present' loop_ _Biological_function 'muscle contratio regulation' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 161 _Mol_residue_sequence ; MDDIYKAAVEQLTEEQKNEF KAAFDIFVLGAEDGSISTKE LGKVMRMLGQNPTPEELQEM IDEVDEDGSGTVDFDEFLVM MVRSMKDDSKGKSEEELSDL FRMFDKNADGYIDLDELKIM LQATGETITEDDIEELMKDG DKNNDGRIDYDEWLEFMKGV E ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 ASP 4 ILE 5 TYR 6 LYS 7 ALA 8 ALA 9 VAL 10 GLU 11 GLN 12 LEU 13 THR 14 GLU 15 GLU 16 GLN 17 LYS 18 ASN 19 GLU 20 PHE 21 LYS 22 ALA 23 ALA 24 PHE 25 ASP 26 ILE 27 PHE 28 VAL 29 LEU 30 GLY 31 ALA 32 GLU 33 ASP 34 GLY 35 SER 36 ILE 37 SER 38 THR 39 LYS 40 GLU 41 LEU 42 GLY 43 LYS 44 VAL 45 MET 46 ARG 47 MET 48 LEU 49 GLY 50 GLN 51 ASN 52 PRO 53 THR 54 PRO 55 GLU 56 GLU 57 LEU 58 GLN 59 GLU 60 MET 61 ILE 62 ASP 63 GLU 64 VAL 65 ASP 66 GLU 67 ASP 68 GLY 69 SER 70 GLY 71 THR 72 VAL 73 ASP 74 PHE 75 ASP 76 GLU 77 PHE 78 LEU 79 VAL 80 MET 81 MET 82 VAL 83 ARG 84 SER 85 MET 86 LYS 87 ASP 88 ASP 89 SER 90 LYS 91 GLY 92 LYS 93 SER 94 GLU 95 GLU 96 GLU 97 LEU 98 SER 99 ASP 100 LEU 101 PHE 102 ARG 103 MET 104 PHE 105 ASP 106 LYS 107 ASN 108 ALA 109 ASP 110 GLY 111 TYR 112 ILE 113 ASP 114 LEU 115 ASP 116 GLU 117 LEU 118 LYS 119 ILE 120 MET 121 LEU 122 GLN 123 ALA 124 THR 125 GLY 126 GLU 127 THR 128 ILE 129 THR 130 GLU 131 ASP 132 ASP 133 ILE 134 GLU 135 GLU 136 LEU 137 MET 138 LYS 139 ASP 140 GLY 141 ASP 142 LYS 143 ASN 144 ASN 145 ASP 146 GLY 147 ARG 148 ILE 149 ASP 150 TYR 151 ASP 152 GLU 153 TRP 154 LEU 155 GLU 156 PHE 157 MET 158 LYS 159 GLY 160 VAL 161 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-26 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 15385 F104W 100.00 161 98.76 100.00 4.59e-105 BMRB 15400 F153(FTR) 100.00 161 99.38 99.38 1.39e-105 BMRB 15427 F104(FTR) 100.00 161 98.76 100.00 4.59e-105 BMRB 16190 cNTnC 55.28 89 100.00 100.00 1.30e-53 BMRB 17103 cNTnC 55.28 89 97.75 97.75 1.05e-52 BMRB 19789 cNTnC 55.28 89 97.75 97.75 1.05e-52 BMRB 25034 cChimera 55.28 141 98.88 98.88 1.53e-53 BMRB 25035 cChimeraX 55.28 141 98.88 98.88 1.43e-53 BMRB 25120 cTnC 100.00 161 99.38 100.00 4.83e-106 BMRB 25495 cNTnC 55.28 89 97.75 97.75 1.05e-52 BMRB 25797 entity_1 55.28 89 98.88 98.88 1.29e-52 PDB 1AJ4 "Structure Of Calcium-Saturated Cardiac Troponin C, Nmr, 1 Structure" 98.76 161 98.11 100.00 8.57e-104 PDB 1AP4 "Regulatory Domain Of Human Cardiac Troponin C In The Calcium-Saturated State, Nmr, 40 Structures" 55.28 89 97.75 97.75 1.05e-52 PDB 1DTL "Crystal Structure Of Calcium-Saturated (3ca2+) Cardiac Troponin C Complexed With The Calcium Sensitizer Bepridil At 2.15 A Reso" 100.00 161 98.76 100.00 1.77e-105 PDB 1J1D "Crystal Structure Of The 46kda Domain Of Human Cardiac Troponin In The Ca2+ Saturated Form" 100.00 161 98.76 100.00 1.77e-105 PDB 1J1E "Crystal Structure Of The 52kda Domain Of Human Cardiac Troponin In The Ca2+ Saturated Form" 100.00 161 98.76 100.00 1.77e-105 PDB 1LXF "Structure Of The Regulatory N-Domain Of Human Cardiac Troponin C In Complex With Human Cardiac Troponin-I(147- 163) And Bepridi" 55.28 89 97.75 97.75 1.05e-52 PDB 1MXL "Structure Of Cardiac Troponin C-troponin I Complex" 55.28 89 97.75 97.75 1.05e-52 PDB 1SPY "Regulatory Domain Of Human Cardiac Troponin C In The Calcium-Free State, Nmr, 40 Structures" 55.28 89 97.75 97.75 1.05e-52 PDB 1WRK "Crystal Structure Of The N-Terminal Domain Of Human Cardiac Troponin C In Complex With Trifluoperazine (Orthrombic Crystal Form" 54.66 88 100.00 100.00 7.03e-53 PDB 1WRL "Crystal Structure Of The N-Terminal Domain Of Human Cardiac Troponin C In Complex With Trifluoperazine (Monoclinic Crystal Form" 54.66 88 100.00 100.00 7.03e-53 PDB 2CTN "Structure Of Calcium-Saturated Cardiac Troponin C, Nmr, 30 Structures" 54.04 89 100.00 100.00 2.17e-52 PDB 2JT0 "Solution Structure Of F104w Cardiac Troponin C" 100.00 161 98.76 100.00 4.59e-105 PDB 2JT3 "Solution Structure Of F153w Cardiac Troponin C" 100.00 161 100.00 100.00 1.86e-107 PDB 2JT8 "Solution Structure Of The F153-To-5-Flurotryptophan Mutant Of Human Cardiac Troponin C" 100.00 161 99.38 99.38 1.39e-105 PDB 2JTZ "Solution Structure And Chemical Shift Assignments Of The F104-To-5-Flurotryptophan Mutant Of Cardiac Troponin C" 100.00 161 98.76 99.38 7.18e-105 PDB 2KFX "Structure Of The N-Terminal Domain Of Human Cardiac Troponin C Bound To Calcium Ion And To The Inhibitor W7" 55.28 89 100.00 100.00 1.30e-53 PDB 2KRD "Solution Structure Of The Regulatory Domain Of Human Cardiac C In Complex With The Switch Region Of Cardiac Troponin I A" 55.28 89 97.75 97.75 1.05e-52 PDB 2L1R "The Structure Of The Calcium-Sensitizer, Dfbp-O, In Complex With The N-Domain Of Troponin C And The Switch Region Of Troponin I" 55.28 89 97.75 97.75 1.05e-52 PDB 2MKP "N Domain Of Cardiac Troponin C Bound To The Switch Fragment Of Fast Skeletal Troponin I At Ph 6" 55.28 89 97.75 97.75 1.05e-52 PDB 2MZP "Structure And Dynamics Of The Acidosis-resistant A162h Mutant Of The Switch Region Of Troponin I Bound To The Regulatory Domain" 55.28 89 97.75 97.75 1.05e-52 PDB 3SD6 "Crystal Structure Of The Amino-terminal Domain Of Human Cardiac Troponin C In Complex With Cadmium At 1.4 Resolution." 55.28 89 97.75 97.75 1.05e-52 PDB 3SWB "Crystal Structure Of The Amino-terminal Domain Of Human Cardiac Troponin C In Complex With Cadmium At 1.7 A Resolution" 55.28 89 97.75 97.75 1.05e-52 PDB 4GJE "Crystal Structure Of The Refolded Amino-terminal Domain Of Human Cardiac Troponin C In Complex With Cadmium" 55.28 89 97.75 97.75 1.05e-52 DBJ BAG36483 "unnamed protein product [Homo sapiens]" 100.00 161 98.14 98.76 6.10e-105 EMBL CAA30736 "unnamed protein product [Homo sapiens]" 100.00 161 98.14 98.76 6.10e-105 EMBL CAG46663 "TNNC1 [Homo sapiens]" 100.00 161 98.14 98.76 6.10e-105 EMBL CAG46683 "TNNC1 [Homo sapiens]" 100.00 161 98.14 98.76 6.10e-105 GB AAA36772 "slow twitch skeletal/cardiac muscle troponin C [Homo sapiens]" 100.00 161 98.14 98.76 6.10e-105 GB AAA37492 "slow/cardiac troponin C, partial [Mus musculus]" 100.00 161 97.52 98.76 2.29e-104 GB AAA37493 "slow/cardiac troponin C [Mus musculus]" 100.00 161 97.52 98.76 2.29e-104 GB AAB91994 "cardiac ventricular troponin C [Homo sapiens]" 100.00 160 97.52 98.14 1.53e-102 GB AAH30244 "Troponin C type 1 (slow) [Homo sapiens]" 100.00 161 98.14 98.76 6.10e-105 PIR TPHUCC "troponin C, cardiac and slow skeletal muscle - human" 100.00 161 98.14 98.76 6.10e-105 PRF 1510257A "troponin C" 100.00 161 97.52 98.76 2.66e-104 PRF 750650A "troponin c,cardiac" 100.00 161 97.52 98.76 2.66e-104 REF NP_001029277 "troponin C, slow skeletal and cardiac muscles [Rattus norvegicus]" 100.00 161 97.52 98.76 2.29e-104 REF NP_001029523 "troponin C, slow skeletal and cardiac muscles [Bos taurus]" 100.00 161 97.52 98.76 2.66e-104 REF NP_001123715 "troponin C, slow skeletal and cardiac muscles [Sus scrofa]" 100.00 161 97.52 98.76 2.66e-104 REF NP_001272501 "troponin C, slow skeletal and cardiac muscles [Capra hircus]" 100.00 161 97.52 98.76 2.66e-104 REF NP_003271 "troponin C, slow skeletal and cardiac muscles [Homo sapiens]" 100.00 161 98.14 98.76 6.10e-105 SP P02591 "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C" 100.00 161 98.14 98.76 6.10e-105 SP P19123 "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C" 100.00 161 97.52 98.76 2.29e-104 SP P63315 "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C" 100.00 161 97.52 98.76 2.66e-104 SP P63316 "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C" 100.00 161 98.14 98.76 6.10e-105 SP P63317 "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C" 100.00 161 97.52 98.76 2.66e-104 TPG DAA16908 "TPA: troponin C, slow skeletal and cardiac muscles [Bos taurus]" 100.00 161 97.52 98.76 2.66e-104 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type non-polymer _Name_common "CA (CALCIUM ION)" _BMRB_code . _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 21 18:50:00 2007 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA N 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $F153W Human 9606 Eukaryota Metazoa Homo sapiens 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 $F153W 'recombinant technology' . Escherichia coli BL21 BL21(DE3)pLysS pET-21 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 $F153W 1.0 mM 'natural abundance' $CA 10 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _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 0.01 M pH 6.7 0.2 pH pressure 1 . atm temperature 303 0.5 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 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 internal 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' '3D HNCACB' '3D CBCA(CO)NH' '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 'F153W cTnC' _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 ASP CA C 63.650 0.5 1 2 2 2 ASP CB C 57.830 0.5 1 3 3 3 ASP H H 8.550 0.03 1 4 3 3 ASP HA H 4.470 0.03 1 5 3 3 ASP HB2 H 2.653 0.03 2 6 3 3 ASP HB3 H 2.697 0.03 2 7 3 3 ASP CA C 55.950 0.5 1 8 3 3 ASP CB C 40.900 0.5 1 9 3 3 ASP N N 122.780 0.4 1 10 4 4 ILE H H 8.270 0.03 1 11 4 4 ILE HA H 3.918 0.03 1 12 4 4 ILE HB H 1.651 0.03 1 13 4 4 ILE HD1 H 0.690 0.03 1 14 4 4 ILE HG12 H 0.948 0.03 1 15 4 4 ILE HG2 H 0.568 0.03 1 16 4 4 ILE CA C 63.428 0.5 1 17 4 4 ILE CB C 37.570 0.5 1 18 4 4 ILE CD1 C 13.240 0.5 1 19 4 4 ILE CG1 C 27.000 0.5 1 20 4 4 ILE CG2 C 17.000 0.5 1 21 4 4 ILE N N 119.410 0.4 1 22 5 5 TYR H H 7.650 0.03 1 23 5 5 TYR HA H 4.484 0.03 1 24 5 5 TYR HB2 H 2.885 0.03 2 25 5 5 TYR HB3 H 3.109 0.03 2 26 5 5 TYR HD1 H 7.078 0.03 3 27 5 5 TYR HE1 H 6.809 0.03 3 28 5 5 TYR CA C 59.436 0.5 1 29 5 5 TYR CB C 37.690 0.5 1 30 5 5 TYR CD1 C 132.610 0.5 3 31 5 5 TYR CE1 C 118.550 0.5 3 32 5 5 TYR N N 120.850 0.4 1 33 6 6 LYS H H 7.900 0.03 1 34 6 6 LYS HA H 3.994 0.03 1 35 6 6 LYS HB2 H 1.857 0.03 2 36 6 6 LYS HD2 H 1.704 0.03 2 37 6 6 LYS HE2 H 3.000 0.03 2 38 6 6 LYS HG2 H 1.395 0.03 2 39 6 6 LYS HG3 H 1.505 0.03 2 40 6 6 LYS CA C 59.440 0.5 1 41 6 6 LYS CB C 32.310 0.5 1 42 6 6 LYS CD C 29.200 0.5 1 43 6 6 LYS CE C 41.780 0.5 1 44 6 6 LYS CG C 25.100 0.5 1 45 6 6 LYS N N 120.730 0.4 1 46 7 7 ALA H H 7.950 0.03 1 47 7 7 ALA HA H 4.162 0.03 1 48 7 7 ALA HB H 1.420 0.03 1 49 7 7 ALA CA C 54.340 0.5 1 50 7 7 ALA CB C 17.890 0.5 1 51 7 7 ALA N N 120.390 0.4 1 52 8 8 ALA H H 7.550 0.03 1 53 8 8 ALA HA H 4.190 0.03 1 54 8 8 ALA HB H 1.559 0.03 1 55 8 8 ALA CA C 54.300 0.5 1 56 8 8 ALA CB C 18.100 0.5 1 57 8 8 ALA N N 120.030 0.4 1 58 9 9 VAL H H 8.120 0.03 1 59 9 9 VAL HA H 3.595 0.03 1 60 9 9 VAL HB H 2.207 0.03 1 61 9 9 VAL HG1 H 0.998 0.03 2 62 9 9 VAL HG2 H 0.938 0.03 2 63 9 9 VAL CA C 65.860 0.5 1 64 9 9 VAL CB C 31.670 0.5 1 65 9 9 VAL CG1 C 23.200 0.5 1 66 9 9 VAL CG2 C 21.800 0.5 1 67 9 9 VAL N N 119.010 0.4 1 68 10 10 GLU H H 7.820 0.03 1 69 10 10 GLU HA H 4.035 0.03 1 70 10 10 GLU HB2 H 2.170 0.03 2 71 10 10 GLU HG2 H 2.339 0.03 2 72 10 10 GLU HG3 H 2.415 0.03 2 73 10 10 GLU CA C 57.800 0.5 1 74 10 10 GLU CB C 29.250 0.5 1 75 10 10 GLU CG C 36.370 0.5 1 76 10 10 GLU N N 118.740 0.4 1 77 11 11 GLN H H 7.400 0.03 1 78 11 11 GLN HA H 4.300 0.03 1 79 11 11 GLN HB2 H 2.340 0.03 2 80 11 11 GLN HB3 H 2.060 0.03 2 81 11 11 GLN HG2 H 2.492 0.03 2 82 11 11 GLN CA C 55.400 0.5 1 83 11 11 GLN CB C 29.200 0.5 1 84 11 11 GLN CG C 34.000 0.5 1 85 11 11 GLN N N 114.920 0.4 1 86 12 12 LEU H H 7.370 0.03 1 87 12 12 LEU HA H 4.497 0.03 1 88 12 12 LEU HB2 H 1.930 0.03 2 89 12 12 LEU HB3 H 1.390 0.03 2 90 12 12 LEU HD1 H 0.976 0.03 2 91 12 12 LEU HD2 H 0.898 0.03 2 92 12 12 LEU HG H 2.115 0.03 1 93 12 12 LEU CA C 54.860 0.5 1 94 12 12 LEU CB C 42.980 0.5 1 95 12 12 LEU CD1 C 27.200 0.5 1 96 12 12 LEU CD2 C 23.080 0.5 1 97 12 12 LEU CG C 26.330 0.5 1 98 12 12 LEU N N 120.720 0.4 1 99 13 13 THR H H 8.910 0.03 1 100 13 13 THR HA H 4.419 0.03 1 101 13 13 THR HB H 4.813 0.03 1 102 13 13 THR HG2 H 1.391 0.03 1 103 13 13 THR CA C 60.500 0.5 1 104 13 13 THR CB C 70.900 0.5 1 105 13 13 THR CG2 C 21.800 0.5 1 106 13 13 THR N N 113.860 0.4 1 107 14 14 GLU H H 8.990 0.03 1 108 14 14 GLU HA H 3.940 0.03 1 109 14 14 GLU HB2 H 2.078 0.03 2 110 14 14 GLU HG2 H 2.360 0.03 2 111 14 14 GLU CA C 59.500 0.5 1 112 14 14 GLU CB C 29.100 0.5 1 113 14 14 GLU CG C 35.900 0.5 1 114 14 14 GLU N N 121.610 0.4 1 115 15 15 GLU H H 8.580 0.03 1 116 15 15 GLU HA H 4.028 0.03 1 117 15 15 GLU HB2 H 2.052 0.03 2 118 15 15 GLU HB3 H 1.934 0.03 2 119 15 15 GLU HG2 H 2.461 0.03 2 120 15 15 GLU HG3 H 2.273 0.03 2 121 15 15 GLU CA C 60.100 0.5 1 122 15 15 GLU CB C 29.000 0.5 1 123 15 15 GLU CG C 36.610 0.5 1 124 15 15 GLU N N 117.630 0.4 1 125 16 16 GLN H H 7.820 0.03 1 126 16 16 GLN HA H 3.800 0.03 1 127 16 16 GLN HB2 H 1.510 0.03 2 128 16 16 GLN HB3 H 2.250 0.03 2 129 16 16 GLN HG2 H 2.224 0.03 2 130 16 16 GLN HG3 H 2.317 0.03 2 131 16 16 GLN CA C 58.500 0.5 1 132 16 16 GLN CB C 29.450 0.5 1 133 16 16 GLN CG C 34.800 0.5 1 134 16 16 GLN N N 119.560 0.4 1 135 17 17 LYS H H 8.380 0.03 1 136 17 17 LYS HA H 3.865 0.03 1 137 17 17 LYS HB2 H 1.974 0.03 2 138 17 17 LYS HD2 H 1.691 0.03 2 139 17 17 LYS HD3 H 1.760 0.03 2 140 17 17 LYS HE2 H 2.859 0.03 2 141 17 17 LYS HG2 H 1.419 0.03 2 142 17 17 LYS CA C 61.400 0.5 1 143 17 17 LYS CB C 31.800 0.5 1 144 17 17 LYS CD C 29.270 0.5 1 145 17 17 LYS CE C 41.800 0.5 1 146 17 17 LYS CG C 27.100 0.5 1 147 17 17 LYS N N 118.020 0.4 1 148 18 18 ASN H H 8.500 0.03 1 149 18 18 ASN HA H 4.527 0.03 1 150 18 18 ASN HB2 H 2.802 0.03 2 151 18 18 ASN HB3 H 2.956 0.03 2 152 18 18 ASN CA C 55.680 0.5 1 153 18 18 ASN CB C 37.630 0.5 1 154 18 18 ASN N N 117.460 0.4 1 155 19 19 GLU H H 8.010 0.03 1 156 19 19 GLU HA H 4.166 0.03 1 157 19 19 GLU HB2 H 2.007 0.03 2 158 19 19 GLU HB3 H 2.080 0.03 2 159 19 19 GLU HG2 H 2.415 0.03 2 160 19 19 GLU HG3 H 2.224 0.03 2 161 19 19 GLU CA C 59.300 0.5 1 162 19 19 GLU CB C 29.050 0.5 1 163 19 19 GLU CG C 36.020 0.5 1 164 19 19 GLU N N 123.320 0.4 1 165 20 20 PHE H H 8.480 0.03 1 166 20 20 PHE HA H 5.028 0.03 1 167 20 20 PHE HB2 H 3.503 0.03 2 168 20 20 PHE HB3 H 3.549 0.03 2 169 20 20 PHE HD1 H 7.167 0.03 3 170 20 20 PHE HE1 H 7.284 0.03 3 171 20 20 PHE CA C 58.100 0.5 1 172 20 20 PHE CB C 37.200 0.5 1 173 20 20 PHE CD1 C 130.270 0.5 3 174 20 20 PHE CE1 C 130.270 0.5 3 175 20 20 PHE N N 119.170 0.4 1 176 21 21 LYS H H 8.920 0.03 1 177 21 21 LYS HA H 3.970 0.03 1 178 21 21 LYS HB2 H 1.770 0.03 2 179 21 21 LYS HB3 H 1.990 0.03 2 180 21 21 LYS HD2 H 0.651 0.03 2 181 21 21 LYS HD3 H 1.390 0.03 2 182 21 21 LYS HE2 H 2.688 0.03 2 183 21 21 LYS HG2 H 1.260 0.03 2 184 21 21 LYS HG3 H 1.040 0.03 2 185 21 21 LYS CA C 58.710 0.5 1 186 21 21 LYS CB C 32.000 0.5 1 187 21 21 LYS CD C 27.530 0.5 1 188 21 21 LYS CE C 42.000 0.5 1 189 21 21 LYS CG C 24.300 0.5 1 190 21 21 LYS N N 121.820 0.4 1 191 22 22 ALA H H 7.880 0.03 1 192 22 22 ALA HA H 4.190 0.03 1 193 22 22 ALA HB H 1.530 0.03 1 194 22 22 ALA CA C 54.670 0.5 1 195 22 22 ALA CB C 17.660 0.5 1 196 22 22 ALA N N 120.170 0.4 1 197 23 23 ALA H H 7.480 0.03 1 198 23 23 ALA HA H 4.216 0.03 1 199 23 23 ALA HB H 1.785 0.03 1 200 23 23 ALA CA C 54.480 0.5 1 201 23 23 ALA CB C 18.550 0.5 1 202 23 23 ALA N N 118.840 0.4 1 203 24 24 PHE H H 8.390 0.03 1 204 24 24 PHE HA H 3.580 0.03 1 205 24 24 PHE HB2 H 2.790 0.03 2 206 24 24 PHE HB3 H 3.181 0.03 2 207 24 24 PHE HD1 H 6.595 0.03 3 208 24 24 PHE HE1 H 7.159 0.03 3 209 24 24 PHE HZ H 7.542 0.03 1 210 24 24 PHE CA C 62.000 0.5 1 211 24 24 PHE CB C 40.100 0.5 1 212 24 24 PHE CD1 C 132.050 0.5 3 213 24 24 PHE CE1 C 131.505 0.5 3 214 24 24 PHE CZ C 130.211 0.5 1 215 24 24 PHE N N 119.260 0.4 1 216 25 25 ASP H H 8.740 0.03 1 217 25 25 ASP HA H 4.359 0.03 1 218 25 25 ASP HB2 H 2.687 0.03 2 219 25 25 ASP HB3 H 2.509 0.03 2 220 25 25 ASP CA C 56.410 0.5 1 221 25 25 ASP CB C 39.950 0.5 1 222 25 25 ASP N N 115.810 0.4 1 223 26 26 ILE H H 7.270 0.03 1 224 26 26 ILE HA H 3.662 0.03 1 225 26 26 ILE HB H 1.800 0.03 1 226 26 26 ILE HD1 H 0.809 0.03 1 227 26 26 ILE HG12 H 1.158 0.03 1 228 26 26 ILE HG13 H 1.610 0.03 1 229 26 26 ILE HG2 H 0.424 0.03 1 230 26 26 ILE CA C 63.870 0.5 1 231 26 26 ILE CB C 37.450 0.5 1 232 26 26 ILE CD1 C 12.870 0.5 1 233 26 26 ILE CG1 C 28.660 0.5 1 234 26 26 ILE CG2 C 16.850 0.5 1 235 26 26 ILE N N 119.060 0.4 1 236 27 27 PHE H H 7.556 0.03 1 237 27 27 PHE HA H 4.360 0.03 1 238 27 27 PHE HB2 H 3.094 0.03 2 239 27 27 PHE HB3 H 2.625 0.03 2 240 27 27 PHE HD1 H 6.951 0.03 3 241 27 27 PHE HE1 H 6.990 0.03 3 242 27 27 PHE CA C 64.410 0.5 1 243 27 27 PHE CB C 38.040 0.5 1 244 27 27 PHE CD1 C 131.660 0.5 3 245 27 27 PHE CE1 C 131.678 0.5 3 246 27 27 PHE N N 117.650 0.4 1 247 28 28 VAL H H 7.510 0.03 1 248 28 28 VAL HA H 3.950 0.03 1 249 28 28 VAL HB H 1.932 0.03 1 250 28 28 VAL HG1 H 0.504 0.03 2 251 28 28 VAL HG2 H 0.687 0.03 2 252 28 28 VAL CA C 62.199 0.5 1 253 28 28 VAL CB C 31.525 0.5 1 254 28 28 VAL CG1 C 21.200 0.5 1 255 28 28 VAL CG2 C 21.200 0.5 1 256 28 28 VAL N N 115.050 0.4 1 257 29 29 LEU H H 7.660 0.03 1 258 29 29 LEU HA H 4.090 0.03 1 259 29 29 LEU HB2 H 1.596 0.03 2 260 29 29 LEU HB3 H 1.770 0.03 2 261 29 29 LEU HD1 H 0.907 0.03 2 262 29 29 LEU HD2 H 0.856 0.03 2 263 29 29 LEU HG H 1.640 0.03 1 264 29 29 LEU CA C 56.180 0.5 1 265 29 29 LEU CB C 40.860 0.5 1 266 29 29 LEU CD1 C 24.900 0.5 1 267 29 29 LEU CD2 C 23.600 0.5 1 268 29 29 LEU CG C 26.660 0.5 1 269 29 29 LEU N N 123.090 0.4 1 270 30 30 GLY H H 8.420 0.03 1 271 30 30 GLY HA2 H 3.964 0.03 2 272 30 30 GLY HA3 H 3.840 0.03 2 273 30 30 GLY CA C 44.980 0.5 1 274 30 30 GLY N N 108.640 0.4 1 275 31 31 ALA H H 7.810 0.03 1 276 31 31 ALA HA H 4.382 0.03 1 277 31 31 ALA HB H 1.480 0.03 1 278 31 31 ALA CA C 52.150 0.5 1 279 31 31 ALA CB C 19.350 0.5 1 280 31 31 ALA N N 123.900 0.4 1 281 32 32 GLU H H 8.850 0.03 1 282 32 32 GLU HA H 4.140 0.03 1 283 32 32 GLU HB2 H 2.050 0.03 2 284 32 32 GLU HG2 H 2.310 0.03 2 285 32 32 GLU CA C 58.100 0.5 1 286 32 32 GLU CB C 29.650 0.5 1 287 32 32 GLU CG C 36.050 0.5 1 288 32 32 GLU N N 123.380 0.4 1 289 33 33 ASP H H 8.260 0.03 1 290 33 33 ASP HA H 4.676 0.03 1 291 33 33 ASP HB2 H 2.684 0.03 2 292 33 33 ASP HB3 H 2.890 0.03 2 293 33 33 ASP CA C 53.300 0.5 1 294 33 33 ASP CB C 40.600 0.5 1 295 33 33 ASP N N 117.290 0.4 1 296 34 34 GLY H H 7.930 0.03 1 297 34 34 GLY HA2 H 3.969 0.03 2 298 34 34 GLY HA3 H 3.969 0.03 2 299 34 34 GLY CA C 45.990 0.5 1 300 34 34 GLY N N 106.630 0.4 1 301 35 35 SER H H 7.760 0.03 1 302 35 35 SER HA H 5.023 0.03 1 303 35 35 SER HB2 H 3.550 0.03 2 304 35 35 SER HB3 H 3.721 0.03 2 305 35 35 SER CA C 56.840 0.5 1 306 35 35 SER CB C 65.320 0.5 1 307 35 35 SER N N 113.280 0.4 1 308 36 36 ILE H H 8.560 0.03 1 309 36 36 ILE HA H 4.345 0.03 1 310 36 36 ILE HB H 1.669 0.03 1 311 36 36 ILE HD1 H 0.479 0.03 1 312 36 36 ILE HG12 H 1.228 0.03 1 313 36 36 ILE HG13 H 1.279 0.03 1 314 36 36 ILE HG2 H 0.541 0.03 1 315 36 36 ILE CA C 57.133 0.5 1 316 36 36 ILE CB C 30.149 0.5 1 317 36 36 ILE CD1 C 14.540 0.5 1 318 36 36 ILE CG1 C 26.690 0.5 1 319 36 36 ILE CG2 C 17.080 0.5 1 320 36 36 ILE N N 122.800 0.4 1 321 38 38 THR HA H 3.770 0.03 1 322 38 38 THR HB H 4.260 0.03 1 323 38 38 THR HG2 H 1.150 0.03 1 324 38 38 THR CA C 65.770 0.5 1 325 38 38 THR CB C 67.900 0.5 1 326 38 38 THR CG2 C 22.800 0.5 1 327 40 40 GLU CA C 66.700 0.5 1 328 40 40 GLU CB C 30.000 0.5 1 329 41 41 LEU H H 7.720 0.03 1 330 41 41 LEU HA H 3.875 0.03 1 331 41 41 LEU HB2 H 1.591 0.03 2 332 41 41 LEU HD1 H 0.860 0.03 2 333 41 41 LEU HD2 H 0.920 0.03 2 334 41 41 LEU HG H 1.624 0.03 1 335 41 41 LEU CA C 57.500 0.5 1 336 41 41 LEU CB C 42.100 0.5 1 337 41 41 LEU CD1 C 25.100 0.5 1 338 41 41 LEU CD2 C 24.200 0.5 1 339 41 41 LEU CG C 26.900 0.5 1 340 41 41 LEU N N 119.290 0.4 1 341 42 42 GLY H H 8.600 0.03 1 342 42 42 GLY HA2 H 3.522 0.03 2 343 42 42 GLY HA3 H 3.880 0.03 2 344 42 42 GLY CA C 47.420 0.5 1 345 42 42 GLY N N 106.380 0.4 1 346 43 43 LYS H H 7.340 0.03 1 347 43 43 LYS HA H 3.985 0.03 1 348 43 43 LYS HB2 H 1.857 0.03 2 349 43 43 LYS HD2 H 1.704 0.03 2 350 43 43 LYS HE2 H 2.996 0.03 2 351 43 43 LYS HG2 H 1.505 0.03 2 352 43 43 LYS HG3 H 1.395 0.03 2 353 43 43 LYS CA C 59.400 0.5 1 354 43 43 LYS CB C 32.240 0.5 1 355 43 43 LYS CD C 29.600 0.5 1 356 43 43 LYS CE C 42.000 0.5 1 357 43 43 LYS CG C 25.300 0.5 1 358 43 43 LYS N N 121.010 0.4 1 359 44 44 VAL H H 7.500 0.03 1 360 44 44 VAL HA H 3.510 0.03 1 361 44 44 VAL HB H 1.957 0.03 1 362 44 44 VAL HG1 H 0.716 0.03 2 363 44 44 VAL HG2 H 0.635 0.03 2 364 44 44 VAL CA C 65.660 0.5 1 365 44 44 VAL CB C 31.340 0.5 1 366 44 44 VAL CG1 C 21.500 0.5 1 367 44 44 VAL CG2 C 22.300 0.5 1 368 44 44 VAL N N 119.880 0.4 1 369 45 45 MET H H 8.230 0.03 1 370 45 45 MET HA H 4.095 0.03 1 371 45 45 MET HB2 H 1.880 0.03 2 372 45 45 MET HB3 H 2.010 0.03 2 373 45 45 MET HE H 1.823 0.03 1 374 45 45 MET HG2 H 2.560 0.03 2 375 45 45 MET CA C 58.420 0.5 1 376 45 45 MET CB C 31.000 0.5 1 377 45 45 MET CE C 17.610 0.5 1 378 45 45 MET CG C 33.160 0.5 1 379 45 45 MET N N 116.140 0.4 1 380 46 46 ARG H H 7.950 0.03 1 381 46 46 ARG HA H 4.595 0.03 1 382 46 46 ARG HB2 H 1.931 0.03 2 383 46 46 ARG HB3 H 1.930 0.03 2 384 46 46 ARG HD2 H 3.198 0.03 2 385 46 46 ARG HD3 H 3.267 0.03 2 386 46 46 ARG HG2 H 1.800 0.03 2 387 46 46 ARG HG3 H 1.940 0.03 2 388 46 46 ARG CA C 58.950 0.5 1 389 46 46 ARG CB C 29.850 0.5 1 390 46 46 ARG CD C 43.250 0.5 1 391 46 46 ARG CG C 28.250 0.5 1 392 46 46 ARG N N 119.020 0.4 1 393 47 47 MET H H 8.020 0.03 1 394 47 47 MET HA H 4.270 0.03 1 395 47 47 MET HB2 H 2.471 0.03 2 396 47 47 MET HE H 2.220 0.03 1 397 47 47 MET HG2 H 2.747 0.03 2 398 47 47 MET HG3 H 2.892 0.03 2 399 47 47 MET CA C 58.800 0.5 1 400 47 47 MET CB C 32.440 0.5 1 401 47 47 MET CE C 17.310 0.5 1 402 47 47 MET CG C 32.510 0.5 1 403 47 47 MET N N 121.890 0.4 1 404 48 48 LEU H H 7.520 0.03 1 405 48 48 LEU HA H 4.535 0.03 1 406 48 48 LEU HB2 H 1.890 0.03 2 407 48 48 LEU HD1 H 1.100 0.03 2 408 48 48 LEU HD2 H 1.031 0.03 2 409 48 48 LEU HG H 1.969 0.03 1 410 48 48 LEU CA C 54.200 0.5 1 411 48 48 LEU CB C 41.650 0.5 1 412 48 48 LEU CD1 C 22.500 0.5 1 413 48 48 LEU CD2 C 26.500 0.5 1 414 48 48 LEU CG C 26.600 0.5 1 415 48 48 LEU N N 117.620 0.4 1 416 49 49 GLY H H 7.860 0.03 1 417 49 49 GLY HA2 H 3.822 0.03 2 418 49 49 GLY HA3 H 4.263 0.03 2 419 49 49 GLY CA C 45.700 0.5 1 420 49 49 GLY N N 107.320 0.4 1 421 50 50 GLN H H 8.160 0.03 1 422 50 50 GLN HA H 4.508 0.03 1 423 50 50 GLN HB2 H 1.607 0.03 2 424 50 50 GLN HB3 H 1.636 0.03 2 425 50 50 GLN HG2 H 2.171 0.03 2 426 50 50 GLN CA C 53.800 0.5 1 427 50 50 GLN CB C 30.730 0.5 1 428 50 50 GLN CG C 33.400 0.5 1 429 50 50 GLN N N 118.800 0.4 1 430 51 51 ASN H H 8.690 0.03 1 431 51 51 ASN HA H 5.136 0.03 1 432 51 51 ASN HB2 H 2.520 0.03 2 433 51 51 ASN HB3 H 2.768 0.03 2 434 51 51 ASN CA C 50.790 0.5 1 435 51 51 ASN CB C 39.000 0.5 1 436 51 51 ASN N N 116.830 0.4 1 437 52 52 PRO CA C 61.974 0.5 1 438 52 52 PRO CB C 31.192 0.5 1 439 52 52 PRO CD C 49.330 0.5 1 440 52 52 PRO CG C 26.950 0.5 1 441 53 53 THR H H 8.799 0.03 1 442 53 53 THR HA H 4.610 0.03 1 443 53 53 THR HB H 4.412 0.03 1 444 53 53 THR HG2 H 1.394 0.03 1 445 53 53 THR CA C 59.922 0.5 1 446 53 53 THR CB C 67.598 0.5 1 447 53 53 THR CG2 C 22.160 0.5 1 448 53 53 THR N N 114.350 0.4 1 449 54 54 PRO CA C 65.900 0.5 1 450 54 54 PRO CB C 31.550 0.5 1 451 54 54 PRO CD C 50.000 0.5 1 452 54 54 PRO CG C 28.100 0.5 1 453 55 55 GLU H H 8.790 0.03 1 454 55 55 GLU HA H 4.024 0.03 1 455 55 55 GLU HB2 H 1.935 0.03 2 456 55 55 GLU HB3 H 2.047 0.03 2 457 55 55 GLU HG2 H 2.289 0.03 2 458 55 55 GLU CA C 60.280 0.5 1 459 55 55 GLU CB C 28.600 0.5 1 460 55 55 GLU CG C 37.000 0.5 1 461 55 55 GLU N N 117.430 0.4 1 462 56 56 GLU H H 7.780 0.03 1 463 56 56 GLU HA H 4.017 0.03 1 464 56 56 GLU HB2 H 2.052 0.03 2 465 56 56 GLU HB3 H 1.915 0.03 2 466 56 56 GLU HG2 H 2.316 0.03 2 467 56 56 GLU CA C 58.510 0.5 1 468 56 56 GLU CB C 29.750 0.5 1 469 56 56 GLU CG C 37.000 0.5 1 470 56 56 GLU N N 121.600 0.4 1 471 57 57 LEU H H 8.512 0.03 1 472 57 57 LEU HA H 4.027 0.03 1 473 57 57 LEU HB2 H 1.690 0.03 2 474 57 57 LEU HD1 H 0.816 0.03 2 475 57 57 LEU HG H 1.571 0.03 1 476 57 57 LEU CA C 57.600 0.5 1 477 57 57 LEU CB C 41.650 0.5 1 478 57 57 LEU CD1 C 24.600 0.5 1 479 57 57 LEU CG C 23.000 0.5 1 480 57 57 LEU N N 120.370 0.4 1 481 58 58 GLN H H 7.910 0.03 1 482 58 58 GLN HA H 3.829 0.03 1 483 58 58 GLN HB2 H 2.160 0.03 2 484 58 58 GLN HG2 H 2.390 0.03 2 485 58 58 GLN CA C 58.200 0.5 1 486 58 58 GLN CB C 28.100 0.5 1 487 58 58 GLN CG C 33.450 0.5 1 488 58 58 GLN N N 117.730 0.4 1 489 59 59 GLU H H 7.700 0.03 1 490 59 59 GLU HA H 4.073 0.03 1 491 59 59 GLU HB2 H 2.091 0.03 2 492 59 59 GLU HG2 H 2.226 0.03 2 493 59 59 GLU CA C 59.200 0.5 1 494 59 59 GLU CB C 29.300 0.5 1 495 59 59 GLU CG C 36.020 0.5 1 496 59 59 GLU N N 118.310 0.4 1 497 60 60 MET H H 7.850 0.03 1 498 60 60 MET HA H 3.993 0.03 1 499 60 60 MET HB2 H 2.069 0.03 2 500 60 60 MET HB3 H 2.227 0.03 2 501 60 60 MET HE H 1.947 0.03 1 502 60 60 MET HG2 H 2.628 0.03 2 503 60 60 MET HG3 H 2.421 0.03 2 504 60 60 MET CA C 57.800 0.5 1 505 60 60 MET CB C 33.300 0.5 1 506 60 60 MET CE C 17.308 0.5 1 507 60 60 MET CG C 32.350 0.5 1 508 60 60 MET N N 117.600 0.4 1 509 61 61 ILE HA H 3.340 0.03 1 510 61 61 ILE HB H 1.910 0.03 1 511 61 61 ILE HD1 H 0.790 0.03 1 512 61 61 ILE HG2 H 0.850 0.03 1 513 61 61 ILE CA C 65.569 0.5 1 514 61 61 ILE CB C 37.586 0.5 1 515 61 61 ILE CD1 C 14.000 0.5 1 516 61 61 ILE CG2 C 17.000 0.5 1 517 62 62 ASP H H 8.200 0.03 1 518 62 62 ASP HA H 4.300 0.03 1 519 62 62 ASP HB2 H 2.780 0.03 2 520 62 62 ASP HB3 H 2.650 0.03 2 521 62 62 ASP CA C 56.880 0.5 1 522 62 62 ASP CB C 40.290 0.5 1 523 62 62 ASP CG C 30.050 0.5 1 524 62 62 ASP N N 118.070 0.4 1 525 63 63 GLU H H 7.530 0.03 1 526 63 63 GLU HA H 4.210 0.03 1 527 63 63 GLU HB2 H 2.010 0.03 2 528 63 63 GLU HG2 H 2.249 0.03 2 529 63 63 GLU HG3 H 2.411 0.03 2 530 63 63 GLU CA C 57.560 0.5 1 531 63 63 GLU CB C 30.310 0.5 1 532 63 63 GLU CG C 35.900 0.5 1 533 63 63 GLU N N 116.000 0.4 1 534 64 64 VAL H H 7.920 0.03 1 535 64 64 VAL HA H 3.960 0.03 1 536 64 64 VAL HB H 1.940 0.03 1 537 64 64 VAL HG1 H 0.700 0.03 2 538 64 64 VAL HG2 H 0.500 0.03 2 539 64 64 VAL CA C 62.360 0.5 1 540 64 64 VAL CB C 32.022 0.5 1 541 64 64 VAL CG1 C 21.040 0.5 1 542 64 64 VAL CG2 C 21.500 0.5 1 543 64 64 VAL N N 113.400 0.4 1 544 65 65 ASP H H 8.100 0.03 1 545 65 65 ASP HA H 4.976 0.03 1 546 65 65 ASP HB2 H 2.240 0.03 2 547 65 65 ASP HB3 H 2.920 0.03 2 548 65 65 ASP CA C 52.750 0.5 1 549 65 65 ASP CB C 39.110 0.5 1 550 65 65 ASP N N 120.700 0.4 1 551 66 66 GLU H H 8.330 0.03 1 552 66 66 GLU HA H 4.069 0.03 1 553 66 66 GLU HB2 H 2.154 0.03 2 554 66 66 GLU HG2 H 2.415 0.03 2 555 66 66 GLU CA C 58.910 0.5 1 556 66 66 GLU CB C 30.320 0.5 1 557 66 66 GLU CG C 36.320 0.5 1 558 66 66 GLU N N 126.950 0.4 1 559 67 67 ASP H H 8.030 0.03 1 560 67 67 ASP HA H 4.650 0.03 1 561 67 67 ASP HB2 H 2.750 0.03 2 562 67 67 ASP HB3 H 3.096 0.03 2 563 67 67 ASP CA C 52.200 0.5 1 564 67 67 ASP CB C 39.600 0.5 1 565 67 67 ASP N N 114.100 0.4 1 566 68 68 GLY H H 7.900 0.03 1 567 68 68 GLY HA2 H 3.840 0.03 2 568 68 68 GLY CA C 46.800 0.5 1 569 68 68 GLY N N 109.180 0.4 1 570 69 69 SER H H 8.440 0.03 1 571 69 69 SER HA H 4.208 0.03 1 572 69 69 SER HB2 H 3.931 0.03 2 573 69 69 SER CA C 59.830 0.5 1 574 69 69 SER CB C 64.500 0.5 1 575 69 69 SER N N 115.880 0.4 1 576 70 70 GLY H H 10.780 0.03 1 577 70 70 GLY HA2 H 3.600 0.03 2 578 70 70 GLY HA3 H 4.200 0.03 2 579 70 70 GLY CA C 45.500 0.5 1 580 70 70 GLY N N 116.340 0.4 1 581 71 71 THR H H 7.840 0.03 1 582 71 71 THR HA H 5.001 0.03 1 583 71 71 THR HB H 4.012 0.03 1 584 71 71 THR HG2 H 1.082 0.03 1 585 71 71 THR CA C 57.930 0.5 1 586 71 71 THR CB C 72.820 0.5 1 587 71 71 THR CG2 C 22.400 0.5 1 588 71 71 THR N N 109.640 0.4 1 589 72 72 VAL H H 9.710 0.03 1 590 72 72 VAL HA H 5.120 0.03 1 591 72 72 VAL HB H 2.170 0.03 1 592 72 72 VAL HG1 H 1.156 0.03 2 593 72 72 VAL HG2 H 0.861 0.03 2 594 72 72 VAL CA C 60.850 0.5 1 595 72 72 VAL CB C 33.570 0.5 1 596 72 72 VAL CG1 C 21.800 0.5 1 597 72 72 VAL CG2 C 21.630 0.5 1 598 72 72 VAL N N 126.380 0.4 1 599 73 73 ASP H H 8.660 0.03 1 600 73 73 ASP HA H 5.190 0.03 1 601 73 73 ASP HB2 H 2.680 0.03 2 602 73 73 ASP HB3 H 3.257 0.03 2 603 73 73 ASP CA C 52.350 0.5 1 604 73 73 ASP CB C 41.800 0.5 1 605 73 73 ASP N N 127.530 0.4 1 606 74 74 PHE H H 8.841 0.03 1 607 74 74 PHE HA H 3.418 0.03 1 608 74 74 PHE HB2 H 2.530 0.03 2 609 74 74 PHE HB3 H 2.637 0.03 2 610 74 74 PHE CA C 61.900 0.5 1 611 74 74 PHE CB C 38.300 0.5 1 612 74 74 PHE N N 118.745 0.4 1 613 75 75 ASP H H 7.780 0.03 1 614 75 75 ASP HA H 4.250 0.03 1 615 75 75 ASP CA C 57.300 0.5 1 616 75 75 ASP CB C 40.100 0.5 1 617 75 75 ASP N N 117.400 0.4 1 618 76 76 GLU H H 8.230 0.03 1 619 76 76 GLU HA H 3.990 0.03 1 620 76 76 GLU HB2 H 2.053 0.03 2 621 76 76 GLU HB3 H 2.290 0.03 2 622 76 76 GLU HG2 H 2.415 0.03 2 623 76 76 GLU HG3 H 2.309 0.03 2 624 76 76 GLU CA C 58.300 0.5 1 625 76 76 GLU CB C 29.890 0.5 1 626 76 76 GLU CG C 36.420 0.5 1 627 76 76 GLU N N 120.480 0.4 1 628 77 77 PHE H H 8.860 0.03 1 629 77 77 PHE HA H 3.917 0.03 1 630 77 77 PHE HB2 H 3.076 0.03 2 631 77 77 PHE HD1 H 6.625 0.03 3 632 77 77 PHE HE1 H 7.169 0.03 3 633 77 77 PHE CA C 60.800 0.5 1 634 77 77 PHE CB C 39.520 0.5 1 635 77 77 PHE CD1 C 132.110 0.5 3 636 77 77 PHE CE1 C 130.311 0.5 3 637 77 77 PHE N N 121.730 0.4 1 638 78 78 LEU H H 8.080 0.03 1 639 78 78 LEU HA H 3.367 0.03 1 640 78 78 LEU HB2 H 1.809 0.03 2 641 78 78 LEU HD1 H 0.685 0.03 2 642 78 78 LEU HD2 H 0.641 0.03 2 643 78 78 LEU HG H 1.090 0.03 1 644 78 78 LEU CA C 57.850 0.5 1 645 78 78 LEU CB C 41.360 0.5 1 646 78 78 LEU CD1 C 23.900 0.5 1 647 78 78 LEU CD2 C 25.900 0.5 1 648 78 78 LEU CG C 25.650 0.5 1 649 78 78 LEU N N 118.520 0.4 1 650 79 79 VAL H H 7.080 0.03 1 651 79 79 VAL HA H 3.247 0.03 1 652 79 79 VAL HB H 2.213 0.03 1 653 79 79 VAL HG1 H 1.008 0.03 2 654 79 79 VAL HG2 H 0.638 0.03 2 655 79 79 VAL CA C 66.460 0.5 1 656 79 79 VAL CB C 30.760 0.5 1 657 79 79 VAL CG1 C 23.200 0.5 1 658 79 79 VAL CG2 C 21.780 0.5 1 659 79 79 VAL N N 117.850 0.4 1 660 80 80 MET H H 7.750 0.03 1 661 80 80 MET HA H 3.620 0.03 1 662 80 80 MET HB2 H 1.940 0.03 2 663 80 80 MET HB3 H 2.120 0.03 2 664 80 80 MET HE H 1.798 0.03 1 665 80 80 MET HG2 H 2.493 0.03 2 666 80 80 MET CA C 59.000 0.5 1 667 80 80 MET CB C 32.850 0.5 1 668 80 80 MET CE C 17.930 0.5 1 669 80 80 MET CG C 32.220 0.5 1 670 80 80 MET N N 119.250 0.4 1 671 81 81 MET H H 8.030 0.03 1 672 81 81 MET HA H 4.017 0.03 1 673 81 81 MET HB2 H 1.030 0.03 2 674 81 81 MET HB3 H 1.520 0.03 2 675 81 81 MET HE H 2.131 0.03 1 676 81 81 MET HG2 H 1.230 0.03 2 677 81 81 MET CA C 55.900 0.5 1 678 81 81 MET CB C 30.720 0.5 1 679 81 81 MET CE C 17.880 0.5 1 680 81 81 MET CG C 31.500 0.5 1 681 81 81 MET N N 117.480 0.4 1 682 82 82 VAL H H 8.090 0.03 1 683 82 82 VAL HA H 3.942 0.03 1 684 82 82 VAL HB H 2.207 0.03 1 685 82 82 VAL HG1 H 0.986 0.03 2 686 82 82 VAL HG2 H 1.130 0.03 2 687 82 82 VAL CA C 65.600 0.5 1 688 82 82 VAL CB C 31.090 0.5 1 689 82 82 VAL CG1 C 21.600 0.5 1 690 82 82 VAL CG2 C 21.600 0.5 1 691 82 82 VAL N N 117.480 0.4 1 692 83 83 ARG H H 8.100 0.03 1 693 83 83 ARG HA H 3.841 0.03 1 694 83 83 ARG HB2 H 1.520 0.03 2 695 83 83 ARG HB3 H 1.690 0.03 2 696 83 83 ARG HD2 H 2.714 0.03 2 697 83 83 ARG HG2 H 1.180 0.03 2 698 83 83 ARG HG3 H 1.440 0.03 2 699 83 83 ARG CA C 58.780 0.5 1 700 83 83 ARG CB C 29.880 0.5 1 701 83 83 ARG CD C 43.200 0.5 1 702 83 83 ARG CG C 27.200 0.5 1 703 83 83 ARG N N 120.620 0.4 1 704 84 84 SER H H 7.720 0.03 1 705 84 84 SER HA H 4.290 0.03 1 706 84 84 SER HB2 H 3.850 0.03 2 707 84 84 SER CA C 60.000 0.5 1 708 84 84 SER CB C 63.300 0.5 1 709 84 84 SER N N 113.500 0.4 1 710 85 85 MET H H 7.660 0.03 1 711 85 85 MET HA H 4.308 0.03 1 712 85 85 MET HB2 H 2.110 0.03 2 713 85 85 MET HB3 H 2.210 0.03 2 714 85 85 MET HE H 2.121 0.03 1 715 85 85 MET HG2 H 2.600 0.03 2 716 85 85 MET HG3 H 2.790 0.03 2 717 85 85 MET CA C 56.790 0.5 1 718 85 85 MET CB C 33.440 0.5 1 719 85 85 MET CE C 16.970 0.5 1 720 85 85 MET CG C 32.100 0.5 1 721 85 85 MET N N 119.990 0.4 1 722 86 86 LYS H H 7.840 0.03 1 723 86 86 LYS HA H 4.307 0.03 1 724 86 86 LYS HB2 H 1.868 0.03 2 725 86 86 LYS HD2 H 1.696 0.03 2 726 86 86 LYS HE2 H 3.007 0.03 2 727 86 86 LYS HG2 H 1.480 0.03 2 728 86 86 LYS CA C 56.500 0.5 1 729 86 86 LYS CB C 32.800 0.5 1 730 86 86 LYS CD C 29.000 0.5 1 731 86 86 LYS CE C 42.000 0.5 1 732 86 86 LYS CG C 24.300 0.5 1 733 86 86 LYS N N 120.780 0.4 1 734 87 87 ASP H H 8.280 0.03 1 735 87 87 ASP HA H 4.674 0.03 1 736 87 87 ASP HB2 H 2.760 0.03 2 737 87 87 ASP CA C 54.050 0.5 1 738 87 87 ASP CB C 41.080 0.5 1 739 87 87 ASP N N 121.790 0.4 1 740 88 88 ASP H H 8.330 0.03 1 741 88 88 ASP HA H 4.690 0.03 1 742 88 88 ASP HB2 H 2.720 0.03 2 743 88 88 ASP CA C 54.250 0.5 1 744 88 88 ASP CB C 41.000 0.5 1 745 88 88 ASP N N 122.400 0.4 1 746 89 89 SER H H 8.340 0.03 1 747 89 89 SER HA H 4.413 0.03 1 748 89 89 SER HB2 H 3.934 0.03 2 749 89 89 SER CA C 58.800 0.5 1 750 89 89 SER CB C 63.500 0.5 1 751 89 89 SER N N 116.190 0.4 1 752 90 90 LYS H H 8.220 0.03 1 753 90 90 LYS HA H 4.370 0.03 1 754 90 90 LYS HB2 H 1.891 0.03 2 755 90 90 LYS HB3 H 1.825 0.03 2 756 90 90 LYS HD2 H 1.692 0.03 2 757 90 90 LYS HE2 H 3.017 0.03 2 758 90 90 LYS HG2 H 1.467 0.03 2 759 90 90 LYS CA C 56.300 0.5 1 760 90 90 LYS CB C 32.700 0.5 1 761 90 90 LYS CD C 28.800 0.5 1 762 90 90 LYS CE C 42.000 0.5 1 763 90 90 LYS CG C 24.500 0.5 1 764 90 90 LYS N N 122.890 0.4 1 765 91 91 GLY H H 8.340 0.03 1 766 91 91 GLY HA2 H 3.987 0.03 2 767 91 91 GLY CA C 44.720 0.5 1 768 91 91 GLY N N 109.610 0.4 1 769 92 92 LYS H H 8.300 0.03 1 770 92 92 LYS HA H 4.434 0.03 1 771 92 92 LYS HB2 H 1.713 0.03 2 772 92 92 LYS HB3 H 1.785 0.03 2 773 92 92 LYS HD2 H 1.614 0.03 2 774 92 92 LYS HE2 H 2.994 0.03 2 775 92 92 LYS HG2 H 1.470 0.03 2 776 92 92 LYS CA C 55.900 0.5 1 777 92 92 LYS CB C 33.700 0.5 1 778 92 92 LYS CD C 29.000 0.5 1 779 92 92 LYS CE C 42.000 0.5 1 780 92 92 LYS CG C 25.050 0.5 1 781 92 92 LYS N N 120.770 0.4 1 782 93 93 SER H H 8.730 0.03 1 783 93 93 SER HA H 4.492 0.03 1 784 93 93 SER HB2 H 4.060 0.03 2 785 93 93 SER HB3 H 4.300 0.03 2 786 93 93 SER CA C 57.500 0.5 1 787 93 93 SER CB C 64.600 0.5 1 788 93 93 SER N N 117.730 0.4 1 789 94 94 GLU H H 8.920 0.03 1 790 94 94 GLU HA H 4.000 0.03 1 791 94 94 GLU HB2 H 2.091 0.03 2 792 94 94 GLU HG2 H 2.360 0.03 2 793 94 94 GLU CA C 59.810 0.5 1 794 94 94 GLU CB C 29.120 0.5 1 795 94 94 GLU CG C 36.700 0.5 1 796 94 94 GLU N N 122.270 0.4 1 797 95 95 GLU H H 8.630 0.03 1 798 95 95 GLU HA H 4.440 0.03 1 799 95 95 GLU HB2 H 2.070 0.03 2 800 95 95 GLU HG2 H 2.340 0.03 2 801 95 95 GLU CA C 59.600 0.5 1 802 95 95 GLU CB C 29.000 0.5 1 803 95 95 GLU CG C 36.500 0.5 1 804 95 95 GLU N N 119.700 0.4 1 805 96 96 GLU H H 7.970 0.03 1 806 96 96 GLU HA H 4.240 0.03 1 807 96 96 GLU HB2 H 2.084 0.03 2 808 96 96 GLU HB3 H 2.286 0.03 2 809 96 96 GLU HG2 H 2.360 0.03 2 810 96 96 GLU HG3 H 2.430 0.03 2 811 96 96 GLU CA C 59.000 0.5 1 812 96 96 GLU CB C 29.900 0.5 1 813 96 96 GLU CG C 36.890 0.5 1 814 96 96 GLU N N 120.160 0.4 1 815 97 97 LEU H H 8.520 0.03 1 816 97 97 LEU HA H 4.380 0.03 1 817 97 97 LEU HB2 H 1.500 0.03 2 818 97 97 LEU HB3 H 2.160 0.03 2 819 97 97 LEU HD1 H 0.760 0.03 2 820 97 97 LEU HD2 H 0.760 0.03 2 821 97 97 LEU HG H 1.825 0.03 1 822 97 97 LEU CA C 57.900 0.5 1 823 97 97 LEU CB C 41.900 0.5 1 824 97 97 LEU CD1 C 25.900 0.5 1 825 97 97 LEU CD2 C 23.200 0.5 1 826 97 97 LEU CG C 26.600 0.5 1 827 97 97 LEU N N 119.500 0.4 1 828 98 98 SER H H 8.840 0.03 1 829 98 98 SER HA H 4.480 0.03 1 830 98 98 SER HB2 H 4.230 0.03 2 831 98 98 SER CA C 61.490 0.5 1 832 98 98 SER CB C 62.550 0.5 1 833 98 98 SER N N 118.210 0.4 1 834 99 99 ASP H H 8.150 0.03 1 835 99 99 ASP HA H 4.490 0.03 1 836 99 99 ASP HB2 H 2.711 0.03 2 837 99 99 ASP HB3 H 2.918 0.03 2 838 99 99 ASP CA C 57.370 0.5 1 839 99 99 ASP CB C 40.220 0.5 1 840 99 99 ASP N N 122.590 0.4 1 841 100 100 LEU H H 8.230 0.03 1 842 100 100 LEU HA H 4.229 0.03 1 843 100 100 LEU HB2 H 2.060 0.03 2 844 100 100 LEU HB3 H 2.300 0.03 2 845 100 100 LEU HD1 H 1.170 0.03 2 846 100 100 LEU HD2 H 1.210 0.03 2 847 100 100 LEU HG H 2.143 0.03 1 848 100 100 LEU CA C 57.800 0.5 1 849 100 100 LEU CB C 43.300 0.5 1 850 100 100 LEU CD1 C 24.530 0.5 1 851 100 100 LEU CD2 C 24.900 0.5 1 852 100 100 LEU CG C 26.900 0.5 1 853 100 100 LEU N N 120.440 0.4 1 854 101 101 PHE H H 8.000 0.03 1 855 101 101 PHE HA H 3.067 0.03 1 856 101 101 PHE HB2 H 2.410 0.03 2 857 101 101 PHE HB3 H 3.104 0.03 2 858 101 101 PHE HD1 H 6.310 0.03 3 859 101 101 PHE CA C 61.630 0.5 1 860 101 101 PHE CB C 38.700 0.5 1 861 101 101 PHE CD1 C 132.100 0.5 3 862 101 101 PHE N N 119.690 0.4 1 863 102 102 ARG H H 7.860 0.03 1 864 102 102 ARG HA H 3.930 0.03 1 865 102 102 ARG HB2 H 1.898 0.03 2 866 102 102 ARG HB3 H 1.969 0.03 2 867 102 102 ARG HD2 H 3.244 0.03 2 868 102 102 ARG HG2 H 1.750 0.03 2 869 102 102 ARG HG3 H 1.930 0.03 2 870 102 102 ARG CA C 58.430 0.5 1 871 102 102 ARG CB C 29.790 0.5 1 872 102 102 ARG CD C 43.000 0.5 1 873 102 102 ARG CG C 28.000 0.5 1 874 102 102 ARG N N 114.420 0.4 1 875 103 103 MET H H 7.760 0.03 1 876 103 103 MET HA H 3.910 0.03 1 877 103 103 MET HB2 H 1.820 0.03 2 878 103 103 MET HB3 H 2.000 0.03 2 879 103 103 MET HE H 1.946 0.03 1 880 103 103 MET HG2 H 1.796 0.03 2 881 103 103 MET CA C 57.900 0.5 1 882 103 103 MET CB C 32.480 0.5 1 883 103 103 MET CE C 16.947 0.5 1 884 103 103 MET CG C 31.200 0.5 1 885 103 103 MET N N 117.270 0.4 1 886 104 104 PHE H H 7.420 0.03 1 887 104 104 PHE HA H 4.460 0.03 1 888 104 104 PHE HB2 H 2.970 0.03 2 889 104 104 PHE HB3 H 3.180 0.03 2 890 104 104 PHE HD1 H 7.226 0.03 1 891 104 104 PHE HE1 H 6.831 0.03 3 892 104 104 PHE CA C 59.000 0.5 1 893 104 104 PHE CB C 39.000 0.5 1 894 104 104 PHE CD1 C 128.140 0.5 3 895 104 104 PHE N N 115.020 0.4 1 896 105 105 ASP H H 7.630 0.03 1 897 105 105 ASP HA H 4.480 0.03 1 898 105 105 ASP HB2 H 2.476 0.03 2 899 105 105 ASP HB3 H 1.598 0.03 2 900 105 105 ASP CA C 52.300 0.5 1 901 105 105 ASP CB C 37.700 0.5 1 902 105 105 ASP N N 120.230 0.4 1 903 106 106 LYS H H 7.560 0.03 1 904 106 106 LYS HA H 3.950 0.03 1 905 106 106 LYS HB2 H 1.920 0.03 2 906 106 106 LYS HD2 H 1.760 0.03 2 907 106 106 LYS HE2 H 3.100 0.03 2 908 106 106 LYS HG2 H 1.580 0.03 2 909 106 106 LYS CA C 58.200 0.5 1 910 106 106 LYS CB C 32.500 0.5 1 911 106 106 LYS CD C 28.300 0.5 1 912 106 106 LYS CE C 42.000 0.5 1 913 106 106 LYS CG C 24.300 0.5 1 914 106 106 LYS N N 125.490 0.4 1 915 107 107 ASN H H 7.950 0.03 1 916 107 107 ASN HA H 4.734 0.03 1 917 107 107 ASN HB2 H 3.850 0.03 2 918 107 107 ASN HB3 H 3.290 0.03 2 919 107 107 ASN CA C 51.240 0.5 1 920 107 107 ASN CB C 36.320 0.5 1 921 107 107 ASN N N 113.370 0.4 1 922 108 108 ALA H H 7.840 0.03 1 923 108 108 ALA HA H 4.020 0.03 1 924 108 108 ALA HB H 1.353 0.03 1 925 108 108 ALA CA C 52.800 0.5 1 926 108 108 ALA CB C 16.700 0.5 1 927 108 108 ALA N N 121.730 0.4 1 928 109 109 ASP H H 8.450 0.03 1 929 109 109 ASP HA H 4.695 0.03 1 930 109 109 ASP HB2 H 3.190 0.03 2 931 109 109 ASP HB3 H 2.450 0.03 2 932 109 109 ASP CA C 52.900 0.5 1 933 109 109 ASP CB C 40.800 0.5 1 934 109 109 ASP N N 117.780 0.4 1 935 110 110 GLY H H 10.330 0.03 1 936 110 110 GLY HA2 H 3.440 0.03 2 937 110 110 GLY HA3 H 4.030 0.03 2 938 110 110 GLY CA C 44.660 0.5 1 939 110 110 GLY N N 112.080 0.4 1 940 111 111 TYR H H 8.000 0.03 1 941 111 111 TYR HA H 5.285 0.03 1 942 111 111 TYR HB2 H 2.720 0.03 2 943 111 111 TYR HB3 H 2.560 0.03 2 944 111 111 TYR HD1 H 6.724 0.03 3 945 111 111 TYR HE1 H 6.839 0.03 3 946 111 111 TYR CA C 55.580 0.5 1 947 111 111 TYR CB C 42.560 0.5 1 948 111 111 TYR CD1 C 133.780 0.5 3 949 111 111 TYR CE1 C 118.080 0.5 3 950 111 111 TYR N N 115.890 0.4 1 951 112 112 ILE H H 9.880 0.03 1 952 112 112 ILE HA H 4.870 0.03 1 953 112 112 ILE HB H 1.800 0.03 1 954 112 112 ILE HD1 H -0.029 0.03 1 955 112 112 ILE HG12 H 0.432 0.03 1 956 112 112 ILE HG13 H 0.753 0.03 1 957 112 112 ILE HG2 H 0.850 0.03 1 958 112 112 ILE CA C 59.290 0.5 1 959 112 112 ILE CB C 37.910 0.5 1 960 112 112 ILE CD1 C 12.000 0.5 1 961 112 112 ILE CG1 C 27.000 0.5 1 962 112 112 ILE CG2 C 17.400 0.5 1 963 112 112 ILE N N 126.050 0.4 1 964 113 113 ASP H H 8.850 0.03 1 965 113 113 ASP HA H 4.890 0.03 1 966 113 113 ASP HB2 H 2.509 0.03 2 967 113 113 ASP HB3 H 3.357 0.03 2 968 113 113 ASP CA C 51.730 0.5 1 969 113 113 ASP CB C 41.850 0.5 1 970 113 113 ASP N N 128.380 0.4 1 971 114 114 LEU H H 8.500 0.03 1 972 114 114 LEU HA H 3.980 0.03 1 973 114 114 LEU HB2 H 1.702 0.03 2 974 114 114 LEU HD1 H 0.941 0.03 2 975 114 114 LEU HD2 H 0.954 0.03 2 976 114 114 LEU HG H 1.694 0.03 1 977 114 114 LEU CA C 58.700 0.5 1 978 114 114 LEU CB C 42.030 0.5 1 979 114 114 LEU CD1 C 25.100 0.5 1 980 114 114 LEU CD2 C 24.300 0.5 1 981 114 114 LEU CG C 27.100 0.5 1 982 114 114 LEU N N 118.180 0.4 1 983 115 115 ASP H H 7.900 0.03 1 984 115 115 ASP HA H 4.372 0.03 1 985 115 115 ASP HB2 H 2.670 0.03 2 986 115 115 ASP HB3 H 2.840 0.03 2 987 115 115 ASP CA C 57.520 0.5 1 988 115 115 ASP CB C 40.460 0.5 1 989 115 115 ASP N N 118.040 0.4 1 990 116 116 GLU H H 8.520 0.03 1 991 116 116 GLU HA H 4.080 0.03 1 992 116 116 GLU HB2 H 2.309 0.03 2 993 116 116 GLU HG2 H 2.400 0.03 2 994 116 116 GLU HG3 H 2.300 0.03 2 995 116 116 GLU CA C 58.500 0.5 1 996 116 116 GLU CB C 29.600 0.5 1 997 116 116 GLU CG C 37.250 0.5 1 998 116 116 GLU N N 121.180 0.4 1 999 117 117 LEU H H 8.870 0.03 1 1000 117 117 LEU HA H 3.980 0.03 1 1001 117 117 LEU HB2 H 1.913 0.03 2 1002 117 117 LEU HB3 H 1.818 0.03 2 1003 117 117 LEU HD1 H 0.840 0.03 2 1004 117 117 LEU HD2 H 0.920 0.03 2 1005 117 117 LEU HG H 1.660 0.03 1 1006 117 117 LEU CA C 57.600 0.5 1 1007 117 117 LEU CB C 42.010 0.5 1 1008 117 117 LEU CD1 C 25.800 0.5 1 1009 117 117 LEU CD2 C 23.950 0.5 1 1010 117 117 LEU CG C 26.500 0.5 1 1011 117 117 LEU N N 122.430 0.4 1 1012 118 118 LYS H H 8.130 0.03 1 1013 118 118 LYS HA H 3.840 0.03 1 1014 118 118 LYS HB2 H 2.030 0.03 2 1015 118 118 LYS HD2 H 1.734 0.03 2 1016 118 118 LYS HE2 H 2.890 0.03 2 1017 118 118 LYS HE3 H 2.950 0.03 2 1018 118 118 LYS HG2 H 1.650 0.03 2 1019 118 118 LYS HG3 H 1.350 0.03 2 1020 118 118 LYS CA C 60.400 0.5 1 1021 118 118 LYS CB C 32.250 0.5 1 1022 118 118 LYS CD C 29.800 0.5 1 1023 118 118 LYS CE C 41.900 0.5 1 1024 118 118 LYS CG C 25.790 0.5 1 1025 118 118 LYS N N 117.940 0.4 1 1026 119 119 ILE H H 7.550 0.03 1 1027 119 119 ILE HA H 3.810 0.03 1 1028 119 119 ILE HB H 2.050 0.03 1 1029 119 119 ILE HD1 H 0.930 0.03 1 1030 119 119 ILE HG12 H 1.790 0.03 1 1031 119 119 ILE HG13 H 1.300 0.03 1 1032 119 119 ILE HG2 H 1.070 0.03 1 1033 119 119 ILE CA C 64.300 0.5 1 1034 119 119 ILE CB C 37.820 0.5 1 1035 119 119 ILE CD1 C 12.900 0.5 1 1036 119 119 ILE CG1 C 28.800 0.5 1 1037 119 119 ILE CG2 C 17.400 0.5 1 1038 119 119 ILE N N 118.480 0.4 1 1039 120 120 MET H H 7.770 0.03 1 1040 120 120 MET HA H 3.520 0.03 1 1041 120 120 MET HB2 H 1.520 0.03 2 1042 120 120 MET HB3 H 2.010 0.03 2 1043 120 120 MET HE H 2.133 0.03 1 1044 120 120 MET HG2 H 1.770 0.03 2 1045 120 120 MET HG3 H 1.604 0.03 2 1046 120 120 MET CA C 58.300 0.5 1 1047 120 120 MET CB C 32.450 0.5 1 1048 120 120 MET CG C 31.000 0.5 1 1049 120 120 MET N N 120.310 0.4 1 1050 121 121 LEU H H 8.270 0.03 1 1051 121 121 LEU HA H 4.100 0.03 1 1052 121 121 LEU HB2 H 1.604 0.03 2 1053 121 121 LEU HB3 H 1.810 0.03 2 1054 121 121 LEU HD1 H 0.860 0.03 2 1055 121 121 LEU HD2 H 0.890 0.03 2 1056 121 121 LEU HG H 1.638 0.03 1 1057 121 121 LEU CA C 57.000 0.5 1 1058 121 121 LEU CB C 41.320 0.5 1 1059 121 121 LEU CD1 C 26.300 0.5 1 1060 121 121 LEU CD2 C 26.740 0.5 1 1061 121 121 LEU CG C 22.600 0.5 1 1062 121 121 LEU N N 118.900 0.4 1 1063 122 122 GLN H H 8.060 0.03 1 1064 122 122 GLN HA H 4.228 0.03 1 1065 122 122 GLN HB2 H 2.210 0.03 2 1066 122 122 GLN HE21 H 7.810 0.03 2 1067 122 122 GLN HE22 H 6.800 0.03 2 1068 122 122 GLN HG2 H 2.580 0.03 2 1069 122 122 GLN HG3 H 2.404 0.03 2 1070 122 122 GLN CA C 57.670 0.5 1 1071 122 122 GLN CB C 28.330 0.5 1 1072 122 122 GLN CG C 34.500 0.5 1 1073 122 122 GLN N N 117.890 0.4 1 1074 122 122 GLN NE2 N 115.600 0.4 1 1075 123 123 ALA H H 7.900 0.03 1 1076 123 123 ALA HA H 4.379 0.03 1 1077 123 123 ALA HB H 1.660 0.03 1 1078 123 123 ALA CA C 53.750 0.5 1 1079 123 123 ALA CB C 18.920 0.5 1 1080 123 123 ALA N N 122.040 0.4 1 1081 124 124 THR H H 7.770 0.03 1 1082 124 124 THR HA H 4.400 0.03 1 1083 124 124 THR HB H 4.570 0.03 1 1084 124 124 THR HG2 H 1.336 0.03 1 1085 124 124 THR CA C 61.950 0.5 1 1086 124 124 THR CB C 69.800 0.5 1 1087 124 124 THR CG2 C 21.530 0.5 1 1088 124 124 THR N N 107.930 0.4 1 1089 125 125 GLY H H 7.960 0.03 1 1090 125 125 GLY HA2 H 4.170 0.03 2 1091 125 125 GLY HA3 H 3.930 0.03 2 1092 125 125 GLY CA C 45.400 0.5 1 1093 125 125 GLY N N 109.770 0.4 1 1094 126 126 GLU H H 8.080 0.03 1 1095 126 126 GLU HA H 4.400 0.03 1 1096 126 126 GLU HB2 H 1.870 0.03 2 1097 126 126 GLU HB3 H 2.070 0.03 2 1098 126 126 GLU HG2 H 2.221 0.03 2 1099 126 126 GLU HG3 H 2.259 0.03 2 1100 126 126 GLU CA C 55.920 0.5 1 1101 126 126 GLU CB C 30.400 0.5 1 1102 126 126 GLU CG C 35.800 0.5 1 1103 126 126 GLU N N 120.150 0.4 1 1104 127 127 THR H H 8.510 0.03 1 1105 127 127 THR HA H 4.294 0.03 1 1106 127 127 THR HB H 4.177 0.03 1 1107 127 127 THR HG2 H 1.210 0.03 1 1108 127 127 THR CA C 62.400 0.5 1 1109 127 127 THR CB C 68.900 0.5 1 1110 127 127 THR CG2 C 21.550 0.5 1 1111 127 127 THR N N 116.650 0.4 1 1112 128 128 ILE H H 8.070 0.03 1 1113 128 128 ILE HA H 4.601 0.03 1 1114 128 128 ILE HB H 1.950 0.03 1 1115 128 128 ILE HD1 H 0.830 0.03 1 1116 128 128 ILE HG12 H 1.280 0.03 1 1117 128 128 ILE HG13 H 1.490 0.03 1 1118 128 128 ILE HG2 H 0.892 0.03 1 1119 128 128 ILE CA C 59.500 0.5 1 1120 128 128 ILE CB C 39.800 0.5 1 1121 128 128 ILE CD1 C 13.300 0.5 1 1122 128 128 ILE CG1 C 27.000 0.5 1 1123 128 128 ILE CG2 C 17.770 0.5 1 1124 128 128 ILE N N 123.880 0.4 1 1125 129 129 THR H H 8.830 0.03 1 1126 129 129 THR HA H 4.600 0.03 1 1127 129 129 THR HB H 4.620 0.03 1 1128 129 129 THR HG2 H 1.295 0.03 1 1129 129 129 THR CA C 60.000 0.5 1 1130 129 129 THR CB C 71.600 0.5 1 1131 129 129 THR CG2 C 21.200 0.5 1 1132 129 129 THR N N 116.600 0.4 1 1133 130 130 GLU H H 8.950 0.03 1 1134 130 130 GLU HA H 3.976 0.03 1 1135 130 130 GLU HB2 H 2.090 0.03 2 1136 130 130 GLU HG2 H 2.360 0.03 2 1137 130 130 GLU CA C 59.800 0.5 1 1138 130 130 GLU CB C 29.190 0.5 1 1139 130 130 GLU CG C 36.600 0.5 1 1140 130 130 GLU N N 120.710 0.4 1 1141 131 131 ASP H H 8.190 0.03 1 1142 131 131 ASP HA H 4.402 0.03 1 1143 131 131 ASP HB2 H 2.509 0.03 2 1144 131 131 ASP HB3 H 2.671 0.03 2 1145 131 131 ASP CA C 56.900 0.5 1 1146 131 131 ASP CB C 40.500 0.5 1 1147 131 131 ASP N N 117.940 0.4 1 1148 132 132 ASP H H 7.710 0.03 1 1149 132 132 ASP HA H 4.459 0.03 1 1150 132 132 ASP HB2 H 3.030 0.03 2 1151 132 132 ASP HB3 H 2.650 0.03 2 1152 132 132 ASP CA C 57.000 0.5 1 1153 132 132 ASP CB C 41.000 0.5 1 1154 132 132 ASP N N 120.040 0.4 1 1155 133 133 ILE H H 7.870 0.03 1 1156 133 133 ILE HA H 3.604 0.03 1 1157 133 133 ILE HB H 2.000 0.03 1 1158 133 133 ILE HD1 H 0.812 0.03 1 1159 133 133 ILE HG12 H 1.036 0.03 1 1160 133 133 ILE HG13 H 1.740 0.03 1 1161 133 133 ILE HG2 H 0.896 0.03 1 1162 133 133 ILE CA C 64.750 0.5 1 1163 133 133 ILE CB C 37.400 0.5 1 1164 133 133 ILE CD1 C 13.620 0.5 1 1165 133 133 ILE CG1 C 28.900 0.5 1 1166 133 133 ILE CG2 C 18.000 0.5 1 1167 133 133 ILE N N 120.570 0.4 1 1168 134 134 GLU H H 8.010 0.03 1 1169 134 134 GLU HA H 3.881 0.03 1 1170 134 134 GLU HB2 H 2.102 0.03 2 1171 134 134 GLU HB3 H 2.168 0.03 2 1172 134 134 GLU HG2 H 2.477 0.03 2 1173 134 134 GLU HG3 H 2.249 0.03 2 1174 134 134 GLU CA C 59.720 0.5 1 1175 134 134 GLU CB C 29.140 0.5 1 1176 134 134 GLU CG C 36.700 0.5 1 1177 134 134 GLU N N 119.420 0.4 1 1178 135 135 GLU H H 7.820 0.03 1 1179 135 135 GLU HA H 4.100 0.03 1 1180 135 135 GLU HB2 H 2.145 0.03 2 1181 135 135 GLU HB3 H 2.145 0.03 2 1182 135 135 GLU HG2 H 2.455 0.03 2 1183 135 135 GLU HG3 H 2.455 0.03 2 1184 135 135 GLU CA C 59.700 0.5 1 1185 135 135 GLU CB C 29.280 0.5 1 1186 135 135 GLU CG C 36.700 0.5 1 1187 135 135 GLU N N 118.830 0.4 1 1188 136 136 LEU H H 7.870 0.03 1 1189 136 136 LEU HA H 4.000 0.03 1 1190 136 136 LEU HB2 H 1.820 0.03 2 1191 136 136 LEU HB3 H 1.650 0.03 2 1192 136 136 LEU HD1 H 0.866 0.03 2 1193 136 136 LEU HD2 H 0.866 0.03 2 1194 136 136 LEU HG H 1.566 0.03 1 1195 136 136 LEU CA C 57.990 0.5 1 1196 136 136 LEU CB C 41.860 0.5 1 1197 136 136 LEU CD1 C 25.200 0.5 1 1198 136 136 LEU CD2 C 24.600 0.5 1 1199 136 136 LEU CG C 29.400 0.5 1 1200 136 136 LEU N N 121.450 0.4 1 1201 137 137 MET H H 8.100 0.03 1 1202 137 137 MET HA H 4.156 0.03 1 1203 137 137 MET HB2 H 2.180 0.03 2 1204 137 137 MET HB3 H 2.180 0.03 2 1205 137 137 MET HE H 1.920 0.03 1 1206 137 137 MET HG2 H 2.429 0.03 2 1207 137 137 MET HG3 H 2.556 0.03 2 1208 137 137 MET CA C 57.500 0.5 1 1209 137 137 MET CB C 31.200 0.5 1 1210 137 137 MET CE C 17.330 0.5 1 1211 137 137 MET CG C 32.140 0.5 1 1212 137 137 MET N N 116.900 0.4 1 1213 138 138 LYS H H 7.800 0.03 1 1214 138 138 LYS HA H 4.056 0.03 1 1215 138 138 LYS HB2 H 1.914 0.03 2 1216 138 138 LYS HB3 H 1.914 0.03 2 1217 138 138 LYS HD2 H 1.694 0.03 2 1218 138 138 LYS HD3 H 1.694 0.03 2 1219 138 138 LYS HE2 H 2.961 0.03 2 1220 138 138 LYS HE3 H 2.961 0.03 2 1221 138 138 LYS HG2 H 1.469 0.03 2 1222 138 138 LYS HG3 H 1.620 0.03 2 1223 138 138 LYS CA C 58.930 0.5 1 1224 138 138 LYS CB C 32.180 0.5 1 1225 138 138 LYS CD C 29.200 0.5 1 1226 138 138 LYS CE C 42.100 0.5 1 1227 138 138 LYS CG C 25.080 0.5 1 1228 138 138 LYS N N 117.710 0.4 1 1229 139 139 ASP H H 7.880 0.03 1 1230 139 139 ASP HA H 4.506 0.03 1 1231 139 139 ASP HB2 H 2.800 0.03 2 1232 139 139 ASP HB3 H 2.855 0.03 2 1233 139 139 ASP CA C 55.750 0.5 1 1234 139 139 ASP CB C 41.100 0.5 1 1235 139 139 ASP N N 117.280 0.4 1 1236 140 140 GLY H H 8.050 0.03 1 1237 140 140 GLY HA2 H 3.044 0.03 2 1238 140 140 GLY HA3 H 4.013 0.03 2 1239 140 140 GLY CA C 45.750 0.5 1 1240 140 140 GLY N N 105.200 0.4 1 1241 141 141 ASP H H 8.080 0.03 1 1242 141 141 ASP HA H 4.618 0.03 1 1243 141 141 ASP HB2 H 2.436 0.03 2 1244 141 141 ASP HB3 H 2.990 0.03 2 1245 141 141 ASP CA C 53.000 0.5 1 1246 141 141 ASP CB C 39.360 0.5 1 1247 141 141 ASP N N 119.910 0.4 1 1248 142 142 LYS H H 7.800 0.03 1 1249 142 142 LYS HA H 4.196 0.03 1 1250 142 142 LYS HB2 H 1.993 0.03 2 1251 142 142 LYS HB3 H 1.993 0.03 2 1252 142 142 LYS HD2 H 1.735 0.03 2 1253 142 142 LYS HD3 H 1.735 0.03 2 1254 142 142 LYS HE2 H 3.070 0.03 2 1255 142 142 LYS HE3 H 3.070 0.03 2 1256 142 142 LYS HG2 H 1.678 0.03 2 1257 142 142 LYS HG3 H 1.561 0.03 2 1258 142 142 LYS CA C 57.300 0.5 1 1259 142 142 LYS CB C 32.500 0.5 1 1260 142 142 LYS CD C 28.350 0.5 1 1261 142 142 LYS CE C 42.170 0.5 1 1262 142 142 LYS CG C 24.690 0.5 1 1263 142 142 LYS N N 125.900 0.4 1 1264 143 143 ASN H H 8.130 0.03 1 1265 143 143 ASN HA H 4.851 0.03 1 1266 143 143 ASN HB2 H 2.860 0.03 2 1267 143 143 ASN HB3 H 3.323 0.03 2 1268 143 143 ASN CA C 51.230 0.5 1 1269 143 143 ASN CB C 37.200 0.5 1 1270 143 143 ASN N N 113.620 0.4 1 1271 144 144 ASN H H 7.780 0.03 1 1272 144 144 ASN HA H 4.492 0.03 1 1273 144 144 ASN HB2 H 2.670 0.03 2 1274 144 144 ASN HB3 H 3.070 0.03 2 1275 144 144 ASN CA C 54.610 0.5 1 1276 144 144 ASN CB C 37.310 0.5 1 1277 144 144 ASN N N 115.590 0.4 1 1278 145 145 ASP H H 8.574 0.03 1 1279 145 145 ASP HA H 4.725 0.03 1 1280 145 145 ASP HB2 H 2.680 0.03 2 1281 145 145 ASP HB3 H 2.869 0.03 2 1282 145 145 ASP CA C 52.530 0.5 1 1283 145 145 ASP CB C 40.475 0.5 1 1284 145 145 ASP N N 117.930 0.4 1 1285 146 146 GLY H H 10.370 0.03 1 1286 146 146 GLY HA2 H 3.510 0.03 2 1287 146 146 GLY HA3 H 4.060 0.03 2 1288 146 146 GLY CA C 45.400 0.5 1 1289 146 146 GLY N N 112.950 0.4 1 1290 147 147 ARG H H 7.780 0.03 1 1291 147 147 ARG HA H 4.809 0.03 1 1292 147 147 ARG HB2 H 1.491 0.03 2 1293 147 147 ARG HB3 H 1.612 0.03 2 1294 147 147 ARG HD2 H 2.238 0.03 2 1295 147 147 ARG HD3 H 2.537 0.03 2 1296 147 147 ARG HG2 H 1.238 0.03 2 1297 147 147 ARG HG3 H 1.284 0.03 2 1298 147 147 ARG CA C 53.900 0.5 1 1299 147 147 ARG CB C 34.200 0.5 1 1300 147 147 ARG CD C 43.000 0.5 1 1301 147 147 ARG CG C 25.600 0.5 1 1302 147 147 ARG N N 115.660 0.4 1 1303 148 148 ILE H H 9.320 0.03 1 1304 148 148 ILE HA H 5.260 0.03 1 1305 148 148 ILE HB H 2.105 0.03 1 1306 148 148 ILE HD1 H 0.638 0.03 1 1307 148 148 ILE HG12 H 0.933 0.03 1 1308 148 148 ILE HG13 H 1.535 0.03 1 1309 148 148 ILE HG2 H 1.325 0.03 1 1310 148 148 ILE CA C 59.390 0.5 1 1311 148 148 ILE CB C 39.010 0.5 1 1312 148 148 ILE CD1 C 12.260 0.5 1 1313 148 148 ILE CG1 C 27.930 0.5 1 1314 148 148 ILE CG2 C 17.890 0.5 1 1315 148 148 ILE N N 126.030 0.4 1 1316 149 149 ASP H H 9.280 0.03 1 1317 149 149 ASP HA H 5.270 0.03 1 1318 149 149 ASP HB2 H 2.870 0.03 2 1319 149 149 ASP HB3 H 3.270 0.03 2 1320 149 149 ASP CA C 52.350 0.5 1 1321 149 149 ASP CB C 42.030 0.5 1 1322 149 149 ASP N N 128.390 0.4 1 1323 150 150 TYR H H 8.472 0.03 1 1324 150 150 TYR HA H 3.385 0.03 1 1325 150 150 TYR HB2 H 2.280 0.03 2 1326 150 150 TYR HB3 H 2.540 0.03 2 1327 150 150 TYR HD1 H 6.330 0.03 3 1328 150 150 TYR HE1 H 6.601 0.03 3 1329 150 150 TYR CA C 62.160 0.5 1 1330 150 150 TYR CB C 38.370 0.5 1 1331 150 150 TYR CD1 C 132.840 0.5 3 1332 150 150 TYR CE1 C 117.840 0.5 3 1333 150 150 TYR N N 118.564 0.4 1 1334 151 151 ASP H H 7.775 0.03 1 1335 151 151 ASP HA H 4.260 0.03 1 1336 151 151 ASP HB2 H 2.640 0.03 2 1337 151 151 ASP HB3 H 2.770 0.03 2 1338 151 151 ASP CA C 57.800 0.5 1 1339 151 151 ASP CB C 40.480 0.5 1 1340 151 151 ASP N N 117.580 0.4 1 1341 152 152 GLU H H 8.840 0.03 1 1342 152 152 GLU HA H 4.123 0.03 1 1343 152 152 GLU HB2 H 2.309 0.03 2 1344 152 152 GLU HG2 H 3.016 0.03 2 1345 152 152 GLU CA C 58.560 0.5 1 1346 152 152 GLU CB C 29.990 0.5 1 1347 152 152 GLU CG C 37.130 0.5 1 1348 152 152 GLU N N 121.050 0.4 1 1349 153 153 TRP H H 9.230 0.03 1 1350 153 153 TRP HA H 4.318 0.03 1 1351 153 153 TRP HB2 H 3.661 0.03 2 1352 153 153 TRP HB3 H 3.385 0.03 2 1353 153 153 TRP HD1 H 6.720 0.03 1 1354 153 153 TRP HE1 H 9.738 0.03 1 1355 153 153 TRP HE3 H 7.500 0.03 1 1356 153 153 TRP HH2 H 7.140 0.03 1 1357 153 153 TRP HZ2 H 7.430 0.03 1 1358 153 153 TRP HZ3 H 6.900 0.03 1 1359 153 153 TRP CA C 60.130 0.5 1 1360 153 153 TRP CB C 29.750 0.5 1 1361 153 153 TRP CD1 C 126.410 0.5 1 1362 153 153 TRP CE3 C 120.670 0.5 1 1363 153 153 TRP CH2 C 125.500 0.5 1 1364 153 153 TRP CZ2 C 113.590 0.5 1 1365 153 153 TRP CZ3 C 122.580 0.5 1 1366 153 153 TRP N N 124.120 0.4 1 1367 153 153 TRP NE1 N 126.440 0.4 1 1368 154 154 LEU H H 7.980 0.03 1 1369 154 154 LEU HA H 3.630 0.03 1 1370 154 154 LEU HB2 H 1.760 0.03 2 1371 154 154 LEU HB3 H 1.307 0.03 2 1372 154 154 LEU HD1 H 0.743 0.03 2 1373 154 154 LEU HD2 H 0.777 0.03 2 1374 154 154 LEU HG H 1.420 0.03 1 1375 154 154 LEU CA C 57.630 0.5 1 1376 154 154 LEU CB C 41.370 0.5 1 1377 154 154 LEU CD1 C 25.300 0.5 1 1378 154 154 LEU CD2 C 23.189 0.5 1 1379 154 154 LEU CG C 26.470 0.5 1 1380 154 154 LEU N N 116.930 0.4 1 1381 155 155 GLU H H 7.320 0.03 1 1382 155 155 GLU HA H 4.037 0.03 1 1383 155 155 GLU HB2 H 2.120 0.03 2 1384 155 155 GLU HB3 H 2.080 0.03 2 1385 155 155 GLU HG2 H 2.420 0.03 2 1386 155 155 GLU HG3 H 2.233 0.03 2 1387 155 155 GLU CA C 58.730 0.5 1 1388 155 155 GLU CB C 29.920 0.5 1 1389 155 155 GLU CG C 35.990 0.5 1 1390 155 155 GLU N N 115.890 0.4 1 1391 156 156 PHE H H 8.380 0.03 1 1392 156 156 PHE HA H 4.377 0.03 1 1393 156 156 PHE HB2 H 3.058 0.03 2 1394 156 156 PHE HB3 H 3.379 0.03 2 1395 156 156 PHE HD1 H 6.970 0.03 3 1396 156 156 PHE HE1 H 7.190 0.03 3 1397 156 156 PHE CA C 59.642 0.5 1 1398 156 156 PHE CB C 40.142 0.5 1 1399 156 156 PHE CD1 C 131.500 0.5 3 1400 156 156 PHE N N 120.513 0.4 1 1401 157 157 MET H H 8.110 0.03 1 1402 157 157 MET HA H 4.050 0.03 1 1403 157 157 MET HB2 H 2.170 0.03 2 1404 157 157 MET HB3 H 2.170 0.03 2 1405 157 157 MET HE H 2.153 0.03 1 1406 157 157 MET HG2 H 2.642 0.03 2 1407 157 157 MET HG3 H 2.569 0.03 2 1408 157 157 MET CA C 54.140 0.5 1 1409 157 157 MET CB C 31.230 0.5 1 1410 157 157 MET CE C 15.130 0.5 1 1411 157 157 MET CG C 31.670 0.5 1 1412 157 157 MET N N 115.130 0.4 1 1413 158 158 LYS H H 7.420 0.03 1 1414 158 158 LYS HA H 4.075 0.03 1 1415 158 158 LYS HB2 H 1.868 0.03 2 1416 158 158 LYS HB3 H 1.868 0.03 2 1417 158 158 LYS HD2 H 1.653 0.03 2 1418 158 158 LYS HD3 H 1.653 0.03 2 1419 158 158 LYS HE2 H 2.918 0.03 2 1420 158 158 LYS HE3 H 2.918 0.03 2 1421 158 158 LYS HG2 H 1.411 0.03 2 1422 158 158 LYS HG3 H 1.563 0.03 2 1423 158 158 LYS CA C 57.990 0.5 1 1424 158 158 LYS CB C 32.250 0.5 1 1425 158 158 LYS CD C 29.360 0.5 1 1426 158 158 LYS CE C 41.930 0.5 1 1427 158 158 LYS CG C 25.020 0.5 1 1428 158 158 LYS N N 119.500 0.4 1 1429 159 159 GLY H H 7.860 0.03 1 1430 159 159 GLY HA2 H 4.029 0.03 2 1431 159 159 GLY HA3 H 3.830 0.03 2 1432 159 159 GLY CA C 44.910 0.5 1 1433 159 159 GLY N N 107.330 0.4 1 1434 160 160 VAL H H 7.490 0.03 1 1435 160 160 VAL HA H 4.071 0.03 1 1436 160 160 VAL HB H 2.025 0.03 1 1437 160 160 VAL HG1 H 0.820 0.03 2 1438 160 160 VAL HG2 H 0.761 0.03 2 1439 160 160 VAL CA C 62.100 0.5 1 1440 160 160 VAL CB C 32.530 0.5 1 1441 160 160 VAL CG1 C 21.190 0.5 1 1442 160 160 VAL CG2 C 20.550 0.5 1 1443 160 160 VAL N N 118.980 0.4 1 1444 161 161 GLU H H 7.910 0.03 1 1445 161 161 GLU HA H 4.092 0.03 1 1446 161 161 GLU HB2 H 2.009 0.03 2 1447 161 161 GLU HB3 H 1.868 0.03 2 1448 161 161 GLU HG2 H 2.200 0.03 2 1449 161 161 GLU HG3 H 2.200 0.03 2 1450 161 161 GLU CA C 62.220 0.5 1 1451 161 161 GLU CB C 32.760 0.5 1 1452 161 161 GLU CG C 36.560 0.5 1 1453 161 161 GLU N N 129.420 0.4 1 stop_ save_