data_15427 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical shift assignments of the F104-to-5-flurotryptophan mutant of cardiac troponin C ; _BMRB_accession_number 15427 _BMRB_flat_file_name bmr15427.str _Entry_type original _Submission_date 2007-08-10 _Accession_date 2007-08-10 _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" 744 "13C chemical shifts" 657 "15N chemical shifts" 153 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-03-14 original author . stop_ _Original_release_date 2008-03-14 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 'F104(FTR) cTnC' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'F104(FTR) cTnC' $F104(FTR) 'Calcium ion' $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 'F104(FTR) cTnC' save_ ######################## # Monomeric polymers # ######################## save_F104(FTR) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common F104(FTR) _Molecular_mass 18436.521 _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 FRMWDKNADGYIDLDELKIM LQATGETITEDDIEELMKDG DKNNDGRIDYDEFLEFMKGV 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 TRP 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 PHE 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 100.00 161 100.00 100.00 1.86e-107 BMRB 15388 F153W 100.00 161 98.76 100.00 4.59e-105 BMRB 15400 F153(FTR) 100.00 161 98.76 99.38 7.18e-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" 100.00 161 100.00 100.00 1.86e-107 PDB 2JT3 "Solution Structure Of F153w Cardiac Troponin C" 100.00 161 98.76 100.00 4.59e-105 PDB 2JT8 "Solution Structure Of The F153-To-5-Flurotryptophan Mutant Of Human Cardiac Troponin C" 100.00 161 98.76 99.38 7.18e-105 PDB 2JTZ "Solution Structure And Chemical Shift Assignments Of The F104-To-5-Flurotryptophan Mutant Of Cardiac Troponin C" 100.00 161 99.38 99.38 1.39e-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 no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 12 11:09:55 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 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 $F104(FTR) 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 $F104(FTR) '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 $F104(FTR) 1.0 mM '[U-100% 13C; U-100% 15N]' $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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0 internal indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.101329118 $entry_citation $entry_citation 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 'F104(FTR) 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 HB2 H 2.690 0.03 2 2 2 2 ASP C C 176.300 0.5 1 3 2 2 ASP CA C 54.900 0.5 1 4 2 2 ASP CB C 41.800 0.5 1 5 3 3 ASP H H 8.580 0.03 1 6 3 3 ASP HA H 4.480 0.03 1 7 3 3 ASP HB2 H 2.690 0.03 2 8 3 3 ASP C C 177.900 0.5 1 9 3 3 ASP CA C 56.270 0.5 1 10 3 3 ASP CB C 41.220 0.5 1 11 3 3 ASP N N 122.900 0.4 1 12 4 4 ILE H H 8.300 0.03 1 13 4 4 ILE HA H 3.930 0.03 1 14 4 4 ILE HB H 1.680 0.03 1 15 4 4 ILE HD1 H 0.720 0.03 1 16 4 4 ILE HG12 H 0.970 0.03 1 17 4 4 ILE HG2 H 0.600 0.03 1 18 4 4 ILE C C 177.700 0.5 1 19 4 4 ILE CA C 63.760 0.5 1 20 4 4 ILE CB C 37.790 0.5 1 21 4 4 ILE CD1 C 13.400 0.5 1 22 4 4 ILE CG1 C 27.200 0.5 1 23 4 4 ILE CG2 C 17.000 0.5 1 24 4 4 ILE N N 119.370 0.4 1 25 5 5 TYR H H 7.660 0.03 1 26 5 5 TYR HA H 4.500 0.03 1 27 5 5 TYR HB2 H 2.920 0.03 2 28 5 5 TYR HB3 H 3.130 0.03 2 29 5 5 TYR HD1 H 7.090 0.03 3 30 5 5 TYR HE1 H 6.830 0.03 3 31 5 5 TYR C C 177.000 0.5 1 32 5 5 TYR CA C 59.710 0.5 1 33 5 5 TYR CB C 37.910 0.5 1 34 5 5 TYR CD1 C 132.700 0.5 3 35 5 5 TYR CE1 C 118.500 0.5 3 36 5 5 TYR N N 120.840 0.4 1 37 6 6 LYS H H 7.910 0.03 1 38 6 6 LYS HA H 4.000 0.03 1 39 6 6 LYS HB2 H 1.880 0.03 2 40 6 6 LYS HD2 H 1.760 0.03 2 41 6 6 LYS HE2 H 3.030 0.03 2 42 6 6 LYS HG2 H 1.440 0.03 2 43 6 6 LYS C C 178.700 0.5 1 44 6 6 LYS CA C 59.620 0.5 1 45 6 6 LYS CB C 32.550 0.5 1 46 6 6 LYS CD C 29.400 0.5 1 47 6 6 LYS CE C 41.500 0.5 1 48 6 6 LYS CG C 25.300 0.5 1 49 6 6 LYS N N 120.710 0.4 1 50 7 7 ALA H H 7.970 0.03 1 51 7 7 ALA HA H 4.170 0.03 1 52 7 7 ALA HB H 1.430 0.03 1 53 7 7 ALA C C 179.700 0.5 1 54 7 7 ALA CA C 54.560 0.5 1 55 7 7 ALA CB C 18.050 0.5 1 56 7 7 ALA N N 120.300 0.4 1 57 8 8 ALA H H 7.560 0.03 1 58 8 8 ALA HA H 4.190 0.03 1 59 8 8 ALA HB H 1.570 0.03 1 60 8 8 ALA C C 180.800 0.5 1 61 8 8 ALA CA C 54.640 0.5 1 62 8 8 ALA CB C 18.470 0.5 1 63 8 8 ALA N N 120.040 0.4 1 64 9 9 VAL H H 8.130 0.03 1 65 9 9 VAL HA H 3.610 0.03 1 66 9 9 VAL HB H 2.240 0.03 1 67 9 9 VAL HG1 H 0.970 0.03 2 68 9 9 VAL HG2 H 1.050 0.03 2 69 9 9 VAL C C 178.700 0.5 1 70 9 9 VAL CA C 66.200 0.5 1 71 9 9 VAL CB C 31.890 0.5 1 72 9 9 VAL CG1 C 22.000 0.5 2 73 9 9 VAL CG2 C 23.400 0.5 2 74 9 9 VAL N N 119.070 0.4 1 75 10 10 GLU H H 7.830 0.03 1 76 10 10 GLU HA H 4.070 0.03 1 77 10 10 GLU HB2 H 2.160 0.03 2 78 10 10 GLU HG2 H 2.400 0.03 2 79 10 10 GLU C C 177.200 0.5 1 80 10 10 GLU CA C 58.320 0.5 1 81 10 10 GLU CB C 29.490 0.5 1 82 10 10 GLU CG C 36.600 0.5 1 83 10 10 GLU N N 118.730 0.4 1 84 11 11 GLN H H 7.410 0.03 1 85 11 11 GLN HA H 4.310 0.03 1 86 11 11 GLN HB2 H 2.080 0.03 2 87 11 11 GLN HB3 H 2.350 0.03 2 88 11 11 GLN HG2 H 2.520 0.03 2 89 11 11 GLN C C 176.800 0.5 1 90 11 11 GLN CA C 55.680 0.5 1 91 11 11 GLN CB C 29.440 0.5 1 92 11 11 GLN CG C 34.100 0.5 1 93 11 11 GLN N N 114.880 0.4 1 94 12 12 LEU H H 7.380 0.03 1 95 12 12 LEU HA H 4.520 0.03 1 96 12 12 LEU HB2 H 1.390 0.03 2 97 12 12 LEU HD1 H 0.930 0.03 2 98 12 12 LEU HD2 H 0.930 0.03 2 99 12 12 LEU HG H 1.000 0.03 1 100 12 12 LEU C C 178.000 0.5 1 101 12 12 LEU CA C 55.150 0.5 1 102 12 12 LEU CB C 43.200 0.5 1 103 12 12 LEU CD1 C 23.200 0.5 2 104 12 12 LEU CD2 C 23.200 0.5 2 105 12 12 LEU CG C 27.400 0.5 1 106 12 12 LEU N N 120.710 0.4 1 107 13 13 THR H H 8.930 0.03 1 108 13 13 THR HA H 4.430 0.03 1 109 13 13 THR HB H 4.840 0.03 1 110 13 13 THR HG2 H 1.420 0.03 1 111 13 13 THR C C 175.600 0.5 1 112 13 13 THR CA C 60.770 0.5 1 113 13 13 THR CB C 71.120 0.5 1 114 13 13 THR CG2 C 21.900 0.5 1 115 13 13 THR N N 113.850 0.4 1 116 14 14 GLU H H 9.000 0.03 1 117 14 14 GLU HA H 3.950 0.03 1 118 14 14 GLU HB2 H 2.060 0.03 2 119 14 14 GLU HG2 H 2.360 0.03 2 120 14 14 GLU C C 178.600 0.5 1 121 14 14 GLU CA C 59.770 0.5 1 122 14 14 GLU CB C 29.300 0.5 1 123 14 14 GLU CG C 36.100 0.5 1 124 14 14 GLU N N 121.600 0.4 1 125 15 15 GLU H H 8.600 0.03 1 126 15 15 GLU HA H 4.050 0.03 1 127 15 15 GLU HB2 H 1.960 0.03 2 128 15 15 GLU HB3 H 2.100 0.03 2 129 15 15 GLU HG2 H 2.350 0.03 2 130 15 15 GLU C C 179.500 0.5 1 131 15 15 GLU CA C 60.350 0.5 1 132 15 15 GLU CB C 29.170 0.5 1 133 15 15 GLU CG C 36.900 0.5 1 134 15 15 GLU N N 117.640 0.4 1 135 16 16 GLN H H 7.840 0.03 1 136 16 16 GLN HA H 3.810 0.03 1 137 16 16 GLN HB2 H 1.530 0.03 2 138 16 16 GLN HB3 H 2.270 0.03 2 139 16 16 GLN HG2 H 2.320 0.03 2 140 16 16 GLN HG3 H 2.240 0.03 2 141 16 16 GLN C C 178.100 0.5 1 142 16 16 GLN CA C 58.760 0.5 1 143 16 16 GLN CB C 29.670 0.5 1 144 16 16 GLN CG C 35.000 0.5 1 145 16 16 GLN N N 119.630 0.4 1 146 17 17 LYS H H 8.380 0.03 1 147 17 17 LYS HA H 3.860 0.03 1 148 17 17 LYS HB2 H 2.010 0.03 2 149 17 17 LYS HD2 H 1.780 0.03 2 150 17 17 LYS HE2 H 2.860 0.03 2 151 17 17 LYS HE3 H 2.990 0.03 2 152 17 17 LYS HG2 H 1.450 0.03 2 153 17 17 LYS HG3 H 1.720 0.03 2 154 17 17 LYS C C 178.900 0.5 1 155 17 17 LYS CA C 61.660 0.5 1 156 17 17 LYS CB C 32.070 0.5 1 157 17 17 LYS CD C 29.400 0.5 1 158 17 17 LYS CE C 41.800 0.5 1 159 17 17 LYS CG C 27.300 0.5 1 160 17 17 LYS N N 117.980 0.4 1 161 18 18 ASN H H 8.520 0.03 1 162 18 18 ASN HA H 4.550 0.03 1 163 18 18 ASN HB2 H 2.820 0.03 2 164 18 18 ASN HB3 H 2.980 0.03 2 165 18 18 ASN C C 178.500 0.5 1 166 18 18 ASN CA C 55.970 0.5 1 167 18 18 ASN CB C 37.860 0.5 1 168 18 18 ASN N N 117.450 0.4 1 169 19 19 GLU H H 8.030 0.03 1 170 19 19 GLU HA H 4.180 0.03 1 171 19 19 GLU HB2 H 2.080 0.03 2 172 19 19 GLU HG2 H 2.440 0.03 2 173 19 19 GLU HG3 H 2.260 0.03 2 174 19 19 GLU C C 180.000 0.5 1 175 19 19 GLU CA C 59.590 0.5 1 176 19 19 GLU CB C 29.320 0.5 1 177 19 19 GLU CG C 36.200 0.5 1 178 19 19 GLU N N 123.340 0.4 1 179 20 20 PHE H H 8.510 0.03 1 180 20 20 PHE HA H 5.040 0.03 1 181 20 20 PHE HB2 H 3.540 0.03 2 182 20 20 PHE C C 178.300 0.5 1 183 20 20 PHE CA C 58.350 0.5 1 184 20 20 PHE CB C 37.410 0.5 1 185 20 20 PHE N N 119.290 0.4 1 186 21 21 LYS H H 8.930 0.03 1 187 21 21 LYS HA H 3.960 0.03 1 188 21 21 LYS HB2 H 2.010 0.03 2 189 21 21 LYS HB3 H 1.800 0.03 2 190 21 21 LYS HD2 H 0.690 0.03 2 191 21 21 LYS HD3 H 1.400 0.03 2 192 21 21 LYS HE2 H 2.720 0.03 2 193 21 21 LYS HG2 H 1.270 0.03 2 194 21 21 LYS HG3 H 1.040 0.03 2 195 21 21 LYS C C 177.000 0.5 1 196 21 21 LYS CA C 58.980 0.5 1 197 21 21 LYS CB C 32.250 0.5 1 198 21 21 LYS CD C 27.700 0.5 1 199 21 21 LYS CE C 45.700 0.5 1 200 21 21 LYS CG C 24.600 0.5 1 201 21 21 LYS N N 121.760 0.4 1 202 22 22 ALA H H 7.910 0.03 1 203 22 22 ALA HA H 4.190 0.03 1 204 22 22 ALA HB H 1.550 0.03 1 205 22 22 ALA C C 180.330 0.5 1 206 22 22 ALA CA C 54.970 0.5 1 207 22 22 ALA CB C 17.890 0.5 1 208 22 22 ALA N N 120.080 0.4 1 209 23 23 ALA H H 7.480 0.03 1 210 23 23 ALA HA H 4.280 0.03 1 211 23 23 ALA HB H 1.800 0.03 1 212 23 23 ALA C C 178.000 0.5 1 213 23 23 ALA CA C 54.760 0.5 1 214 23 23 ALA CB C 18.750 0.5 1 215 23 23 ALA N N 118.890 0.4 1 216 24 24 PHE H H 8.380 0.03 1 217 24 24 PHE HA H 3.620 0.03 1 218 24 24 PHE HB2 H 2.820 0.03 2 219 24 24 PHE HB3 H 3.210 0.03 2 220 24 24 PHE HD1 H 6.610 0.03 3 221 24 24 PHE HE1 H 7.170 0.03 3 222 24 24 PHE C C 177.000 0.5 1 223 24 24 PHE CA C 62.240 0.5 1 224 24 24 PHE CB C 40.420 0.5 1 225 24 24 PHE CD1 C 132.000 0.5 3 226 24 24 PHE N N 119.220 0.4 1 227 25 25 ASP H H 8.770 0.03 1 228 25 25 ASP HA H 4.380 0.03 1 229 25 25 ASP HB2 H 2.510 0.03 2 230 25 25 ASP HB3 H 2.760 0.03 2 231 25 25 ASP C C 179.200 0.5 1 232 25 25 ASP CA C 56.810 0.5 1 233 25 25 ASP CB C 40.320 0.5 1 234 25 25 ASP N N 115.800 0.4 1 235 26 26 ILE H H 7.280 0.03 1 236 26 26 ILE HA H 3.670 0.03 1 237 26 26 ILE HB H 1.820 0.03 1 238 26 26 ILE HD1 H 0.840 0.03 1 239 26 26 ILE HG12 H 1.190 0.03 1 240 26 26 ILE HG13 H 1.640 0.03 1 241 26 26 ILE HG2 H 0.440 0.03 1 242 26 26 ILE C C 179.200 0.5 1 243 26 26 ILE CA C 64.010 0.5 1 244 26 26 ILE CB C 37.580 0.5 1 245 26 26 ILE CD1 C 12.810 0.5 1 246 26 26 ILE CG1 C 28.540 0.5 1 247 26 26 ILE CG2 C 16.700 0.5 1 248 26 26 ILE N N 119.090 0.4 1 249 27 27 PHE H H 7.520 0.03 1 250 27 27 PHE HA H 4.360 0.03 1 251 27 27 PHE HB2 H 2.640 0.03 2 252 27 27 PHE HB3 H 3.090 0.03 2 253 27 27 PHE HD1 H 7.270 0.03 3 254 27 27 PHE CB C 40.600 0.5 1 255 27 27 PHE CD1 C 132.100 0.5 3 256 28 28 VAL H H 7.510 0.03 1 257 28 28 VAL HA H 3.940 0.03 1 258 28 28 VAL HB H 1.960 0.03 1 259 28 28 VAL HG1 H 0.720 0.03 2 260 28 28 VAL HG2 H 0.560 0.03 2 261 28 28 VAL C C 176.700 0.5 1 262 28 28 VAL CA C 62.800 0.5 1 263 28 28 VAL CB C 31.800 0.5 1 264 28 28 VAL CG1 C 21.300 0.5 2 265 28 28 VAL CG2 C 21.700 0.5 2 266 28 28 VAL N N 115.400 0.4 1 267 29 29 LEU H H 7.710 0.03 1 268 29 29 LEU HA H 4.110 0.03 1 269 29 29 LEU HB2 H 1.780 0.03 2 270 29 29 LEU HB3 H 1.620 0.03 2 271 29 29 LEU HD1 H 0.940 0.03 2 272 29 29 LEU HD2 H 0.880 0.03 2 273 29 29 LEU HG H 1.660 0.03 1 274 29 29 LEU C C 178.200 0.5 1 275 29 29 LEU CA C 56.450 0.5 1 276 29 29 LEU CB C 41.030 0.5 1 277 29 29 LEU CD1 C 25.000 0.5 2 278 29 29 LEU CD2 C 23.700 0.5 2 279 29 29 LEU CG C 26.900 0.5 1 280 29 29 LEU N N 122.830 0.4 1 281 30 30 GLY H H 8.380 0.03 1 282 30 30 GLY HA2 H 4.100 0.03 2 283 30 30 GLY HA3 H 3.850 0.03 2 284 30 30 GLY C C 174.100 0.5 1 285 30 30 GLY CA C 45.420 0.5 1 286 30 30 GLY N N 108.400 0.4 1 287 31 31 ALA H H 7.810 0.03 1 288 31 31 ALA HA H 4.380 0.03 1 289 31 31 ALA HB H 1.500 0.03 1 290 31 31 ALA C C 178.900 0.5 1 291 31 31 ALA CA C 52.480 0.5 1 292 31 31 ALA CB C 19.540 0.5 1 293 31 31 ALA N N 123.870 0.4 1 294 32 32 GLU H H 8.830 0.03 1 295 32 32 GLU HA H 4.160 0.03 1 296 32 32 GLU HB2 H 2.060 0.03 2 297 32 32 GLU HG2 H 2.320 0.03 2 298 32 32 GLU C C 176.900 0.5 1 299 32 32 GLU CA C 58.370 0.5 1 300 32 32 GLU CB C 29.800 0.5 1 301 32 32 GLU CG C 36.300 0.5 1 302 32 32 GLU N N 123.160 0.4 1 303 33 33 ASP H H 8.270 0.03 1 304 33 33 ASP HA H 4.690 0.03 1 305 33 33 ASP HB2 H 2.900 0.03 2 306 33 33 ASP C C 177.300 0.5 1 307 33 33 ASP CA C 53.610 0.5 1 308 33 33 ASP CB C 40.860 0.5 1 309 33 33 ASP N N 117.410 0.4 1 310 34 34 GLY H H 7.980 0.03 1 311 34 34 GLY HA2 H 3.970 0.03 2 312 34 34 GLY C C 172.900 0.5 1 313 34 34 GLY CA C 46.410 0.5 1 314 34 34 GLY N N 106.760 0.4 1 315 35 35 SER H H 7.790 0.03 1 316 35 35 SER HA H 5.060 0.03 1 317 35 35 SER HB2 H 3.740 0.03 2 318 35 35 SER C C 172.900 0.5 1 319 35 35 SER CA C 57.460 0.5 1 320 35 35 SER CB C 65.890 0.5 1 321 35 35 SER N N 113.340 0.4 1 322 36 36 ILE H H 8.530 0.03 1 323 36 36 ILE HA H 4.390 0.03 1 324 36 36 ILE HB H 1.700 0.03 1 325 36 36 ILE HD1 H 0.500 0.03 1 326 36 36 ILE HG12 H 0.790 0.03 1 327 36 36 ILE HG13 H 1.310 0.03 1 328 36 36 ILE HG2 H 0.570 0.03 1 329 36 36 ILE CA C 60.000 0.5 1 330 36 36 ILE CB C 40.700 0.5 1 331 36 36 ILE CD1 C 14.400 0.5 1 332 36 36 ILE CG1 C 26.600 0.5 1 333 36 36 ILE CG2 C 17.100 0.5 1 334 36 36 ILE N N 117.200 0.4 1 335 37 37 SER C C 176.700 0.5 1 336 37 37 SER CA C 57.800 0.5 1 337 37 37 SER CB C 64.500 0.5 1 338 38 38 THR H H 8.560 0.03 1 339 38 38 THR HA H 3.780 0.03 1 340 38 38 THR HB H 4.270 0.03 1 341 38 38 THR HG2 H 1.150 0.03 1 342 38 38 THR C C 176.800 0.5 1 343 38 38 THR CA C 65.900 0.5 1 344 38 38 THR CB C 67.900 0.5 1 345 38 38 THR CG2 C 22.900 0.5 1 346 38 38 THR N N 116.600 0.4 1 347 39 39 LYS H H 8.080 0.03 1 348 39 39 LYS HA H 4.130 0.03 1 349 39 39 LYS HB2 H 1.860 0.03 2 350 39 39 LYS HD2 H 1.730 0.03 2 351 39 39 LYS HE2 H 3.050 0.03 2 352 39 39 LYS HG2 H 1.490 0.03 2 353 39 39 LYS C C 178.500 0.5 1 354 39 39 LYS CA C 58.700 0.5 1 355 39 39 LYS CB C 32.200 0.5 1 356 39 39 LYS CD C 29.000 0.5 1 357 39 39 LYS CE C 42.000 0.5 1 358 39 39 LYS CG C 25.100 0.5 1 359 39 39 LYS N N 120.370 0.4 1 360 40 40 GLU H H 7.650 0.03 1 361 40 40 GLU HA H 4.390 0.03 1 362 40 40 GLU HB2 H 1.900 0.03 2 363 40 40 GLU HG2 H 2.290 0.03 2 364 40 40 GLU C C 177.500 0.5 1 365 40 40 GLU CA C 57.400 0.5 1 366 40 40 GLU CB C 29.900 0.5 1 367 40 40 GLU CG C 36.600 0.5 1 368 40 40 GLU N N 117.300 0.4 1 369 41 41 LEU H H 7.690 0.03 1 370 41 41 LEU HA H 3.850 0.03 1 371 41 41 LEU HB2 H 1.610 0.03 2 372 41 41 LEU HD1 H 0.860 0.03 2 373 41 41 LEU HD2 H 0.860 0.03 2 374 41 41 LEU C C 178.300 0.5 1 375 41 41 LEU CA C 57.820 0.5 1 376 41 41 LEU CB C 42.310 0.5 1 377 41 41 LEU CD1 C 25.300 0.5 2 378 41 41 LEU CD2 C 24.500 0.5 2 379 41 41 LEU CG C 27.200 0.5 1 380 41 41 LEU N N 119.380 0.4 1 381 42 42 GLY H H 8.640 0.03 1 382 42 42 GLY HA2 H 3.550 0.03 2 383 42 42 GLY HA3 H 3.890 0.03 2 384 42 42 GLY C C 175.600 0.5 1 385 42 42 GLY CA C 47.840 0.5 1 386 42 42 GLY N N 106.520 0.4 1 387 43 43 LYS H H 7.350 0.03 1 388 43 43 LYS HA H 4.000 0.03 1 389 43 43 LYS HB2 H 1.910 0.03 2 390 43 43 LYS HD2 H 1.790 0.03 2 391 43 43 LYS HE2 H 3.030 0.03 2 392 43 43 LYS HG2 H 1.420 0.03 2 393 43 43 LYS C C 179.300 0.5 1 394 43 43 LYS CA C 59.640 0.5 1 395 43 43 LYS CB C 32.510 0.5 1 396 43 43 LYS CD C 29.770 0.5 1 397 43 43 LYS CE C 42.200 0.5 1 398 43 43 LYS CG C 25.400 0.5 1 399 43 43 LYS N N 121.010 0.4 1 400 44 44 VAL H H 7.520 0.03 1 401 44 44 VAL HA H 3.520 0.03 1 402 44 44 VAL HB H 1.990 0.03 1 403 44 44 VAL HG1 H 0.750 0.03 2 404 44 44 VAL HG2 H 0.680 0.03 2 405 44 44 VAL C C 177.500 0.5 1 406 44 44 VAL CA C 65.910 0.5 1 407 44 44 VAL CB C 31.560 0.5 1 408 44 44 VAL CG1 C 21.700 0.5 2 409 44 44 VAL CG2 C 22.400 0.5 2 410 44 44 VAL N N 120.080 0.4 1 411 45 45 MET H H 8.250 0.03 1 412 45 45 MET HA H 4.120 0.03 1 413 45 45 MET HB2 H 2.020 0.03 2 414 45 45 MET HE H 1.840 0.03 1 415 45 45 MET HG2 H 2.570 0.03 2 416 45 45 MET C C 179.000 0.5 1 417 45 45 MET CA C 58.740 0.5 1 418 45 45 MET CB C 31.300 0.5 1 419 45 45 MET CE C 18.000 0.5 1 420 45 45 MET CG C 33.280 0.5 1 421 45 45 MET N N 116.190 0.4 1 422 46 46 ARG H H 7.950 0.03 1 423 46 46 ARG HA H 4.620 0.03 1 424 46 46 ARG HB2 H 1.940 0.03 2 425 46 46 ARG HD2 H 3.220 0.03 2 426 46 46 ARG HD3 H 3.300 0.03 2 427 46 46 ARG HG2 H 1.810 0.03 2 428 46 46 ARG C C 179.000 0.5 1 429 46 46 ARG CA C 59.230 0.5 1 430 46 46 ARG CB C 30.060 0.5 1 431 46 46 ARG CD C 43.400 0.5 1 432 46 46 ARG CG C 28.400 0.5 1 433 46 46 ARG N N 119.000 0.4 1 434 47 47 MET H H 8.010 0.03 1 435 47 47 MET HA H 4.290 0.03 1 436 47 47 MET HB2 H 2.500 0.03 2 437 47 47 MET HE H 2.260 0.03 1 438 47 47 MET HG2 H 2.770 0.03 2 439 47 47 MET HG3 H 2.920 0.03 2 440 47 47 MET C C 177.600 0.5 1 441 47 47 MET CA C 59.080 0.5 1 442 47 47 MET CB C 32.610 0.5 1 443 47 47 MET CE C 17.290 0.5 1 444 47 47 MET CG C 32.500 0.5 1 445 47 47 MET N N 121.850 0.4 1 446 48 48 LEU H H 7.550 0.03 1 447 48 48 LEU HA H 4.560 0.03 1 448 48 48 LEU HB2 H 1.940 0.03 2 449 48 48 LEU HD1 H 1.100 0.03 2 450 48 48 LEU HD2 H 1.060 0.03 2 451 48 48 LEU HG H 1.060 0.03 1 452 48 48 LEU C C 177.200 0.5 1 453 48 48 LEU CA C 54.500 0.5 1 454 48 48 LEU CB C 42.130 0.5 1 455 48 48 LEU CD1 C 22.700 0.5 2 456 48 48 LEU CD2 C 22.700 0.5 2 457 48 48 LEU CG C 26.670 0.5 1 458 48 48 LEU N N 117.900 0.4 1 459 49 49 GLY H H 7.870 0.03 1 460 49 49 GLY HA2 H 4.260 0.03 2 461 49 49 GLY HA3 H 3.840 0.03 2 462 49 49 GLY C C 174.300 0.5 1 463 49 49 GLY CA C 45.940 0.5 1 464 49 49 GLY N N 107.260 0.4 1 465 50 50 GLN H H 8.180 0.03 1 466 50 50 GLN HA H 4.520 0.03 1 467 50 50 GLN HB2 H 1.660 0.03 2 468 50 50 GLN HG2 H 2.190 0.03 2 469 50 50 GLN C C 174.100 0.5 1 470 50 50 GLN CA C 54.090 0.5 1 471 50 50 GLN CB C 30.940 0.5 1 472 50 50 GLN CG C 33.400 0.5 1 473 50 50 GLN N N 118.820 0.4 1 474 51 51 ASN H H 8.710 0.03 1 475 51 51 ASN HA H 5.140 0.03 1 476 51 51 ASN HB2 H 2.540 0.03 2 477 51 51 ASN HB3 H 2.780 0.03 2 478 51 51 ASN C C 174.100 0.5 1 479 51 51 ASN CA C 51.340 0.5 1 480 51 51 ASN CB C 39.530 0.5 1 481 51 51 ASN N N 116.860 0.4 1 482 52 52 PRO HB2 H 1.950 0.03 2 483 52 52 PRO HB3 H 2.240 0.03 2 484 52 52 PRO HD2 H 3.360 0.03 2 485 52 52 PRO HD3 H 3.620 0.03 2 486 52 52 PRO HG2 H 1.910 0.03 2 487 52 52 PRO C C 177.700 0.5 1 488 52 52 PRO CA C 62.580 0.5 1 489 52 52 PRO CB C 31.700 0.5 1 490 52 52 PRO CD C 50.000 0.5 1 491 52 52 PRO CG C 27.500 0.5 1 492 53 53 THR H H 8.820 0.03 1 493 53 53 THR HA H 4.620 0.03 1 494 53 53 THR HB H 4.820 0.03 1 495 53 53 THR HG2 H 1.420 0.03 1 496 53 53 THR C C 177.700 0.5 1 497 53 53 THR CA C 60.530 0.5 1 498 53 53 THR CB C 68.140 0.5 1 499 53 53 THR CG2 C 22.000 0.5 1 500 53 53 THR N N 114.430 0.4 1 501 54 54 PRO C C 179.700 0.5 1 502 54 54 PRO CA C 66.180 0.5 1 503 54 54 PRO CB C 31.800 0.5 1 504 54 54 PRO CD C 50.200 0.5 1 505 54 54 PRO CG C 27.900 0.5 1 506 55 55 GLU H H 8.810 0.03 1 507 55 55 GLU HA H 4.040 0.03 1 508 55 55 GLU HB2 H 1.960 0.03 2 509 55 55 GLU HG2 H 2.320 0.03 2 510 55 55 GLU C C 179.400 0.5 1 511 55 55 GLU CA C 60.500 0.5 1 512 55 55 GLU CB C 28.840 0.5 1 513 55 55 GLU CG C 37.200 0.5 1 514 55 55 GLU N N 117.460 0.4 1 515 56 56 GLU H H 7.790 0.03 1 516 56 56 GLU HA H 4.020 0.03 1 517 56 56 GLU HB2 H 1.940 0.03 2 518 56 56 GLU HG2 H 2.320 0.03 2 519 56 56 GLU C C 179.900 0.5 1 520 56 56 GLU CA C 58.850 0.5 1 521 56 56 GLU CB C 30.120 0.5 1 522 56 56 GLU CG C 37.200 0.5 1 523 56 56 GLU N N 121.600 0.4 1 524 57 57 LEU H H 8.560 0.03 1 525 57 57 LEU HA H 4.060 0.03 1 526 57 57 LEU HB2 H 1.620 0.03 2 527 57 57 LEU HD1 H 0.835 0.03 2 528 57 57 LEU HD2 H 0.835 0.03 2 529 57 57 LEU HG H 1.610 0.03 1 530 57 57 LEU C C 178.000 0.5 1 531 57 57 LEU CA C 57.930 0.5 1 532 57 57 LEU CB C 42.135 0.5 1 533 57 57 LEU CD1 C 25.100 0.5 2 534 57 57 LEU CD2 C 24.600 0.5 2 535 57 57 LEU CG C 27.000 0.5 1 536 57 57 LEU N N 120.460 0.4 1 537 58 58 GLN H H 7.910 0.03 1 538 58 58 GLN HA H 3.850 0.03 1 539 58 58 GLN HB2 H 2.160 0.03 2 540 58 58 GLN HG2 H 2.420 0.03 2 541 58 58 GLN C C 177.530 0.5 1 542 58 58 GLN CA C 58.460 0.5 1 543 58 58 GLN CB C 28.330 0.5 1 544 58 58 GLN CG C 33.600 0.5 1 545 58 58 GLN N N 117.510 0.4 1 546 59 59 GLU H H 7.690 0.03 1 547 59 59 GLU HA H 4.090 0.03 1 548 59 59 GLU HB2 H 2.120 0.03 2 549 59 59 GLU HG2 H 2.430 0.03 2 550 59 59 GLU C C 178.800 0.5 1 551 59 59 GLU CA C 59.440 0.5 1 552 59 59 GLU CB C 29.580 0.5 1 553 59 59 GLU CG C 36.300 0.5 1 554 59 59 GLU N N 118.240 0.4 1 555 60 60 MET H H 7.880 0.03 1 556 60 60 MET HA H 4.023 0.03 1 557 60 60 MET HB2 H 1.890 0.03 2 558 60 60 MET HE H 1.990 0.03 1 559 60 60 MET HG2 H 2.680 0.03 2 560 60 60 MET HG3 H 2.460 0.03 2 561 60 60 MET C C 178.300 0.5 1 562 60 60 MET CA C 59.300 0.5 1 563 60 60 MET CB C 33.430 0.5 1 564 60 60 MET CE C 17.200 0.5 1 565 60 60 MET CG C 32.400 0.5 1 566 60 60 MET N N 117.680 0.4 1 567 61 61 ILE H H 8.230 0.03 1 568 61 61 ILE HA H 3.360 0.03 1 569 61 61 ILE HD1 H 0.830 0.03 1 570 61 61 ILE HG2 H 0.880 0.03 1 571 61 61 ILE C C 177.300 0.5 1 572 61 61 ILE CA C 65.860 0.5 1 573 61 61 ILE CB C 38.150 0.5 1 574 61 61 ILE CD1 C 14.200 0.5 1 575 61 61 ILE CG1 C 29.300 0.5 1 576 61 61 ILE CG2 C 17.100 0.5 1 577 61 61 ILE N N 120.100 0.4 1 578 62 62 ASP H H 8.180 0.03 1 579 62 62 ASP HA H 4.350 0.03 1 580 62 62 ASP HB2 H 2.680 0.03 2 581 62 62 ASP HB3 H 2.820 0.03 2 582 62 62 ASP C C 178.400 0.5 1 583 62 62 ASP CA C 57.140 0.5 1 584 62 62 ASP CB C 40.400 0.5 1 585 62 62 ASP N N 118.300 0.4 1 586 63 63 GLU H H 7.540 0.03 1 587 63 63 GLU HA H 4.210 0.03 1 588 63 63 GLU HB2 H 2.050 0.03 2 589 63 63 GLU C C 178.400 0.5 1 590 63 63 GLU CA C 58.120 0.5 1 591 63 63 GLU CB C 30.840 0.5 1 592 63 63 GLU N N 115.980 0.4 1 593 64 64 VAL H H 7.990 0.03 1 594 64 64 VAL HA H 4.260 0.03 1 595 64 64 VAL HB H 2.280 0.03 1 596 64 64 VAL HG1 H 0.910 0.03 2 597 64 64 VAL HG2 H 0.910 0.03 2 598 64 64 VAL C C 176.800 0.5 1 599 64 64 VAL CA C 63.100 0.5 1 600 64 64 VAL CB C 32.400 0.5 1 601 64 64 VAL CG1 C 21.600 0.5 2 602 64 64 VAL CG2 C 21.600 0.5 2 603 65 65 ASP H H 8.150 0.03 1 604 65 65 ASP HA H 4.990 0.03 1 605 65 65 ASP HB2 H 2.940 0.03 2 606 65 65 ASP HB3 H 2.220 0.03 2 607 65 65 ASP C C 177.900 0.5 1 608 65 65 ASP CA C 52.900 0.5 1 609 65 65 ASP CB C 39.100 0.5 1 610 65 65 ASP N N 120.530 0.4 1 611 66 66 GLU H H 8.320 0.03 1 612 66 66 GLU HA H 4.070 0.03 1 613 66 66 GLU HB2 H 2.200 0.03 2 614 66 66 GLU HG2 H 2.400 0.03 2 615 66 66 GLU C C 177.200 0.5 1 616 66 66 GLU CA C 59.170 0.5 1 617 66 66 GLU CB C 30.490 0.5 1 618 66 66 GLU CG C 36.500 0.5 1 619 66 66 GLU N N 126.800 0.4 1 620 67 67 ASP H H 8.050 0.03 1 621 67 67 ASP HA H 4.660 0.03 1 622 67 67 ASP HB2 H 2.770 0.03 2 623 67 67 ASP C C 177.500 0.5 1 624 67 67 ASP CA C 52.570 0.5 1 625 67 67 ASP CB C 39.860 0.5 1 626 67 67 ASP N N 114.050 0.4 1 627 68 68 GLY H H 7.930 0.03 1 628 68 68 GLY HA2 H 3.850 0.03 2 629 68 68 GLY C C 175.400 0.5 1 630 68 68 GLY CA C 47.100 0.5 1 631 68 68 GLY N N 109.220 0.4 1 632 69 69 SER H H 8.460 0.03 1 633 69 69 SER HA H 4.220 0.03 1 634 69 69 SER HB2 H 3.940 0.03 2 635 69 69 SER C C 176.350 0.5 1 636 69 69 SER CA C 60.170 0.5 1 637 69 69 SER CB C 64.810 0.5 1 638 69 69 SER N N 115.830 0.4 1 639 70 70 GLY H H 10.780 0.03 1 640 70 70 GLY HA2 H 4.220 0.03 2 641 70 70 GLY HA3 H 3.610 0.03 2 642 70 70 GLY C C 173.500 0.5 1 643 70 70 GLY CA C 45.790 0.5 1 644 70 70 GLY N N 116.310 0.4 1 645 71 71 THR H H 7.870 0.03 1 646 71 71 THR HA H 5.000 0.03 1 647 71 71 THR HB H 4.039 0.03 1 648 71 71 THR HG2 H 1.120 0.03 1 649 71 71 THR C C 172.900 0.5 1 650 71 71 THR CA C 58.420 0.5 1 651 71 71 THR CB C 72.980 0.5 1 652 71 71 THR CG2 C 22.480 0.5 1 653 71 71 THR N N 109.870 0.4 1 654 72 72 VAL H H 9.700 0.03 1 655 72 72 VAL HA H 5.140 0.03 1 656 72 72 VAL HB H 2.200 0.03 1 657 72 72 VAL HG1 H 0.890 0.03 2 658 72 72 VAL HG2 H 1.190 0.03 2 659 72 72 VAL C C 175.100 0.5 1 660 72 72 VAL CA C 60.990 0.5 1 661 72 72 VAL CB C 33.820 0.5 1 662 72 72 VAL CG1 C 21.770 0.5 2 663 72 72 VAL CG2 C 21.770 0.5 2 664 72 72 VAL N N 126.280 0.4 1 665 73 73 ASP H H 8.670 0.03 1 666 73 73 ASP HA H 5.170 0.03 1 667 73 73 ASP HB2 H 3.280 0.03 2 668 73 73 ASP HB3 H 2.700 0.03 2 669 73 73 ASP C C 176.000 0.5 1 670 73 73 ASP CA C 52.580 0.5 1 671 73 73 ASP CB C 41.910 0.5 1 672 73 73 ASP N N 127.420 0.4 1 673 74 74 PHE H H 8.880 0.03 1 674 74 74 PHE HA H 3.440 0.03 1 675 74 74 PHE HB2 H 2.540 0.03 2 676 74 74 PHE HB3 H 2.670 0.03 2 677 74 74 PHE C C 176.300 0.5 1 678 74 74 PHE CA C 61.550 0.5 1 679 74 74 PHE CB C 38.590 0.5 1 680 74 74 PHE N N 118.600 0.4 1 681 75 75 ASP H H 7.820 0.03 1 682 75 75 ASP HA H 4.100 0.03 1 683 75 75 ASP HB2 H 2.750 0.03 2 684 75 75 ASP HB3 H 2.600 0.03 2 685 75 75 ASP C C 179.500 0.5 1 686 75 75 ASP CA C 58.030 0.5 1 687 75 75 ASP CB C 40.400 0.5 1 688 75 75 ASP N N 117.390 0.4 1 689 76 76 GLU H H 8.240 0.03 1 690 76 76 GLU HA H 4.000 0.03 1 691 76 76 GLU HB2 H 1.980 0.03 2 692 76 76 GLU HG2 H 2.510 0.03 2 693 76 76 GLU HG3 H 2.910 0.03 2 694 76 76 GLU C C 178.800 0.5 1 695 76 76 GLU CA C 58.620 0.5 1 696 76 76 GLU CB C 30.070 0.5 1 697 76 76 GLU CG C 36.600 0.5 1 698 76 76 GLU N N 120.550 0.4 1 699 77 77 PHE H H 8.860 0.03 1 700 77 77 PHE HA H 3.920 0.03 1 701 77 77 PHE HB2 H 3.100 0.03 2 702 77 77 PHE C C 176.900 0.5 1 703 77 77 PHE CA C 61.100 0.5 1 704 77 77 PHE CB C 39.740 0.5 1 705 77 77 PHE N N 121.590 0.4 1 706 78 78 LEU H H 8.100 0.03 1 707 78 78 LEU HA H 3.380 0.03 1 708 78 78 LEU HB2 H 1.100 0.03 2 709 78 78 LEU HB3 H 1.830 0.03 2 710 78 78 LEU HD1 H 0.670 0.03 2 711 78 78 LEU HD2 H 0.710 0.03 2 712 78 78 LEU HG H 1.100 0.03 1 713 78 78 LEU C C 178.700 0.5 1 714 78 78 LEU CA C 58.080 0.5 1 715 78 78 LEU CB C 41.580 0.5 1 716 78 78 LEU CD1 C 25.970 0.5 2 717 78 78 LEU CD2 C 24.090 0.5 2 718 78 78 LEU CG C 25.500 0.5 1 719 78 78 LEU N N 118.600 0.4 1 720 79 79 VAL H H 7.110 0.03 1 721 79 79 VAL HA H 3.260 0.03 1 722 79 79 VAL HB H 2.240 0.03 1 723 79 79 VAL HG1 H 0.680 0.03 2 724 79 79 VAL HG2 H 1.040 0.03 2 725 79 79 VAL C C 177.500 0.5 1 726 79 79 VAL CA C 66.640 0.5 1 727 79 79 VAL CB C 30.960 0.5 1 728 79 79 VAL CG1 C 21.800 0.5 2 729 79 79 VAL CG2 C 23.400 0.5 2 730 79 79 VAL N N 117.810 0.4 1 731 80 80 MET H H 7.750 0.03 1 732 80 80 MET HA H 3.640 0.03 1 733 80 80 MET HB2 H 1.960 0.03 2 734 80 80 MET HG2 H 2.130 0.03 2 735 80 80 MET HG3 H 2.520 0.03 2 736 80 80 MET C C 178.600 0.5 1 737 80 80 MET CA C 59.200 0.5 1 738 80 80 MET CB C 32.680 0.5 1 739 80 80 MET CG C 32.300 0.5 1 740 80 80 MET N N 119.170 0.4 1 741 81 81 MET H H 8.040 0.03 1 742 81 81 MET HA H 4.040 0.03 1 743 81 81 MET HB2 H 1.540 0.03 2 744 81 81 MET HE H 1.400 0.03 1 745 81 81 MET HG2 H 1.070 0.03 2 746 81 81 MET HG3 H 1.250 0.03 2 747 81 81 MET C C 179.400 0.5 1 748 81 81 MET CA C 56.180 0.5 1 749 81 81 MET CB C 30.800 0.5 1 750 81 81 MET CE C 17.200 0.5 1 751 81 81 MET CG C 31.450 0.5 1 752 81 81 MET N N 117.490 0.4 1 753 82 82 VAL H H 8.090 0.03 1 754 82 82 VAL HA H 3.950 0.03 1 755 82 82 VAL HB H 2.230 0.03 1 756 82 82 VAL HG1 H 1.010 0.03 2 757 82 82 VAL HG2 H 1.150 0.03 2 758 82 82 VAL C C 178.800 0.5 1 759 82 82 VAL CA C 65.780 0.5 1 760 82 82 VAL CB C 31.270 0.5 1 761 82 82 VAL CG1 C 21.900 0.5 2 762 82 82 VAL CG2 C 22.000 0.5 2 763 82 82 VAL N N 117.420 0.4 1 764 83 83 ARG H H 8.110 0.03 1 765 83 83 ARG HA H 3.850 0.03 1 766 83 83 ARG HB2 H 1.710 0.03 2 767 83 83 ARG HB3 H 1.540 0.03 2 768 83 83 ARG HD2 H 2.750 0.03 2 769 83 83 ARG HG2 H 1.460 0.03 2 770 83 83 ARG HG3 H 1.200 0.03 2 771 83 83 ARG C C 178.200 0.5 1 772 83 83 ARG CA C 59.060 0.5 1 773 83 83 ARG CB C 30.050 0.5 1 774 83 83 ARG CD C 43.400 0.5 1 775 83 83 ARG CG C 27.600 0.5 1 776 83 83 ARG N N 120.630 0.4 1 777 84 84 SER H H 7.750 0.03 1 778 84 84 SER HA H 4.290 0.03 1 779 84 84 SER HB2 H 3.870 0.03 2 780 84 84 SER C C 175.300 0.5 1 781 84 84 SER CA C 60.350 0.5 1 782 84 84 SER CB C 63.700 0.5 1 783 84 84 SER N N 113.480 0.4 1 784 85 85 MET H H 7.680 0.03 1 785 85 85 MET HA H 4.340 0.03 1 786 85 85 MET HB2 H 2.230 0.03 2 787 85 85 MET HB3 H 2.110 0.03 2 788 85 85 MET HE H 2.160 0.03 1 789 85 85 MET HG2 H 2.800 0.03 2 790 85 85 MET C C 176.600 0.5 1 791 85 85 MET CA C 57.060 0.5 1 792 85 85 MET CB C 33.710 0.5 1 793 85 85 MET CE C 16.900 0.5 1 794 85 85 MET CG C 32.100 0.5 1 795 85 85 MET N N 119.910 0.4 1 796 86 86 LYS H H 7.850 0.03 1 797 86 86 LYS HA H 4.320 0.03 1 798 86 86 LYS HB2 H 1.910 0.03 2 799 86 86 LYS HD2 H 1.730 0.03 2 800 86 86 LYS HE2 H 3.030 0.03 2 801 86 86 LYS HG2 H 1.510 0.03 2 802 86 86 LYS C C 176.300 0.5 1 803 86 86 LYS CA C 56.730 0.5 1 804 86 86 LYS CB C 33.080 0.5 1 805 86 86 LYS CD C 29.070 0.5 1 806 86 86 LYS CE C 42.060 0.5 1 807 86 86 LYS CG C 24.630 0.5 1 808 86 86 LYS N N 120.710 0.4 1 809 87 87 ASP H H 8.280 0.03 1 810 87 87 ASP HA H 4.680 0.03 1 811 87 87 ASP HB2 H 2.730 0.03 2 812 87 87 ASP C C 176.300 0.5 1 813 87 87 ASP CA C 54.420 0.5 1 814 87 87 ASP CB C 41.280 0.5 1 815 87 87 ASP N N 121.700 0.4 1 816 88 88 ASP H H 8.350 0.03 1 817 88 88 ASP HA H 4.680 0.03 1 818 88 88 ASP HB2 H 2.730 0.03 2 819 88 88 ASP HB3 H 2.780 0.03 2 820 88 88 ASP C C 176.740 0.5 1 821 88 88 ASP CA C 54.520 0.5 1 822 88 88 ASP CB C 41.230 0.5 1 823 88 88 ASP N N 122.410 0.4 1 824 89 89 SER H H 8.360 0.03 1 825 89 89 SER HA H 4.420 0.03 1 826 89 89 SER HB2 H 3.960 0.03 2 827 89 89 SER C C 174.900 0.5 1 828 89 89 SER CA C 59.080 0.5 1 829 89 89 SER CB C 63.770 0.5 1 830 89 89 SER N N 116.190 0.4 1 831 90 90 LYS H H 8.230 0.03 1 832 90 90 LYS HA H 4.380 0.03 1 833 90 90 LYS HB2 H 1.890 0.03 2 834 90 90 LYS HD2 H 1.720 0.03 2 835 90 90 LYS HE2 H 3.040 0.03 2 836 90 90 LYS HG2 H 1.490 0.03 2 837 90 90 LYS C C 177.100 0.5 1 838 90 90 LYS CA C 56.590 0.5 1 839 90 90 LYS CB C 32.950 0.5 1 840 90 90 LYS CD C 29.000 0.5 1 841 90 90 LYS CE C 42.100 0.5 1 842 90 90 LYS CG C 24.750 0.5 1 843 90 90 LYS N N 122.800 0.4 1 844 91 91 GLY H H 8.370 0.03 1 845 91 91 GLY HA2 H 4.000 0.03 2 846 91 91 GLY C C 174.100 0.5 1 847 91 91 GLY CA C 45.220 0.5 1 848 91 91 GLY N N 109.630 0.4 1 849 92 92 LYS H H 8.290 0.03 1 850 92 92 LYS HA H 4.440 0.03 1 851 92 92 LYS HB2 H 1.790 0.03 2 852 92 92 LYS HD2 H 1.640 0.03 2 853 92 92 LYS HE2 H 3.040 0.03 2 854 92 92 LYS HG2 H 1.490 0.03 2 855 92 92 LYS C C 176.800 0.5 1 856 92 92 LYS CA C 56.230 0.5 1 857 92 92 LYS CB C 33.840 0.5 1 858 92 92 LYS CD C 29.200 0.5 1 859 92 92 LYS CE C 42.200 0.5 1 860 92 92 LYS CG C 25.200 0.5 1 861 92 92 LYS N N 120.780 0.4 1 862 93 93 SER H H 8.710 0.03 1 863 93 93 SER HA H 4.500 0.03 1 864 93 93 SER HB2 H 4.060 0.03 2 865 93 93 SER HB3 H 4.270 0.03 2 866 93 93 SER C C 174.900 0.5 1 867 93 93 SER CA C 58.070 0.5 1 868 93 93 SER CB C 64.770 0.5 1 869 93 93 SER N N 117.790 0.4 1 870 94 94 GLU H H 8.870 0.03 1 871 94 94 GLU HA H 4.080 0.03 1 872 94 94 GLU HB2 H 2.100 0.03 2 873 94 94 GLU HG2 H 2.390 0.03 2 874 94 94 GLU C C 178.200 0.5 1 875 94 94 GLU CA C 59.630 0.5 1 876 94 94 GLU CB C 29.420 0.5 1 877 94 94 GLU CG C 36.800 0.5 1 878 94 94 GLU N N 122.200 0.4 1 879 95 95 GLU H H 8.580 0.03 1 880 95 95 GLU HA H 4.130 0.03 1 881 95 95 GLU HB2 H 2.070 0.03 2 882 95 95 GLU HG2 H 2.340 0.03 2 883 95 95 GLU C C 178.400 0.5 1 884 95 95 GLU CA C 59.430 0.5 1 885 95 95 GLU CB C 29.490 0.5 1 886 95 95 GLU CG C 36.600 0.5 1 887 95 95 GLU N N 119.780 0.4 1 888 96 96 GLU H H 8.020 0.03 1 889 96 96 GLU HA H 4.230 0.03 1 890 96 96 GLU HB2 H 2.070 0.03 2 891 96 96 GLU HG2 H 2.410 0.03 2 892 96 96 GLU HG3 H 2.280 0.03 2 893 96 96 GLU C C 179.700 0.5 1 894 96 96 GLU CA C 58.910 0.5 1 895 96 96 GLU CB C 30.160 0.5 1 896 96 96 GLU CG C 37.000 0.5 1 897 96 96 GLU N N 120.170 0.4 1 898 97 97 LEU H H 8.460 0.03 1 899 97 97 LEU HA H 4.340 0.03 1 900 97 97 LEU HB2 H 1.580 0.03 2 901 97 97 LEU HB3 H 2.130 0.03 2 902 97 97 LEU HD1 H 0.850 0.03 2 903 97 97 LEU HD2 H 0.850 0.03 2 904 97 97 LEU HG H 1.820 0.03 1 905 97 97 LEU C C 178.800 0.5 1 906 97 97 LEU CA C 58.140 0.5 1 907 97 97 LEU CB C 41.960 0.5 1 908 97 97 LEU CD1 C 26.220 0.5 2 909 97 97 LEU CD2 C 23.740 0.5 2 910 97 97 LEU CG C 27.340 0.5 1 911 97 97 LEU N N 120.800 0.4 1 912 98 98 SER H H 8.630 0.03 1 913 98 98 SER HA H 4.350 0.03 1 914 98 98 SER HB2 H 4.110 0.03 2 915 98 98 SER C C 177.200 0.5 1 916 98 98 SER CA C 61.850 0.5 1 917 98 98 SER CB C 62.640 0.5 1 918 98 98 SER N N 116.050 0.4 1 919 99 99 ASP H H 7.880 0.03 1 920 99 99 ASP HA H 4.460 0.03 1 921 99 99 ASP HB2 H 2.660 0.03 2 922 99 99 ASP HB3 H 2.860 0.03 2 923 99 99 ASP C C 177.200 0.5 1 924 99 99 ASP CA C 57.380 0.5 1 925 99 99 ASP CB C 40.480 0.5 1 926 99 99 ASP N N 121.610 0.4 1 927 100 100 LEU H H 8.010 0.03 1 928 100 100 LEU HA H 4.060 0.03 1 929 100 100 LEU HB2 H 1.920 0.03 2 930 100 100 LEU HB3 H 2.080 0.03 2 931 100 100 LEU HD1 H 1.110 0.03 2 932 100 100 LEU HD2 H 1.050 0.03 2 933 100 100 LEU HG H 1.750 0.03 1 934 100 100 LEU C C 177.500 0.5 1 935 100 100 LEU CA C 57.950 0.5 1 936 100 100 LEU CB C 42.460 0.5 1 937 100 100 LEU CD1 C 24.800 0.5 2 938 100 100 LEU CD2 C 24.500 0.5 2 939 100 100 LEU CG C 27.100 0.5 1 940 100 100 LEU N N 122.010 0.4 1 941 101 101 PHE H H 8.380 0.03 1 942 101 101 PHE HA H 3.230 0.03 1 943 101 101 PHE HB2 H 2.780 0.03 2 944 101 101 PHE HB3 H 3.100 0.03 2 945 101 101 PHE HD1 H 6.430 0.03 3 946 101 101 PHE HE1 H 6.960 0.03 3 947 101 101 PHE C C 176.600 0.5 1 948 101 101 PHE CA C 62.220 0.5 1 949 101 101 PHE CB C 39.290 0.5 1 950 101 101 PHE CD1 C 131.800 0.5 3 951 101 101 PHE CE1 C 131.500 0.5 3 952 101 101 PHE N N 119.220 0.4 1 953 102 102 ARG H H 7.750 0.03 1 954 102 102 ARG HA H 3.940 0.03 1 955 102 102 ARG HB2 H 1.930 0.03 2 956 102 102 ARG HD2 H 3.270 0.03 2 957 102 102 ARG HG2 H 1.740 0.03 2 958 102 102 ARG HG3 H 1.800 0.03 2 959 102 102 ARG C C 178.500 0.5 1 960 102 102 ARG CA C 58.830 0.5 1 961 102 102 ARG CB C 30.340 0.5 1 962 102 102 ARG CD C 43.400 0.5 1 963 102 102 ARG CG C 28.200 0.5 1 964 102 102 ARG N N 114.160 0.4 1 965 103 103 MET H H 7.640 0.03 1 966 103 103 MET HA H 3.920 0.03 1 967 103 103 MET HB2 H 1.930 0.03 2 968 103 103 MET HG2 H 1.980 0.03 2 969 103 103 MET C C 178.500 0.5 1 970 103 103 MET CA C 58.110 0.5 1 971 103 103 MET CB C 32.430 0.5 1 972 103 103 MET CG C 33.400 0.5 1 973 103 103 MET N N 117.620 0.4 1 974 104 104 TRP HE3 H 6.975 0.03 1 975 104 104 TRP HH2 H 7.480 0.03 1 976 105 105 ASP H H 7.780 0.03 1 977 105 105 ASP HA H 4.520 0.03 1 978 105 105 ASP HB2 H 1.600 0.03 2 979 105 105 ASP HB3 H 2.500 0.03 2 980 105 105 ASP C C 177.400 0.5 1 981 105 105 ASP CA C 52.320 0.5 1 982 105 105 ASP CB C 38.050 0.5 1 983 105 105 ASP N N 119.870 0.4 1 984 106 106 LYS H H 7.490 0.03 1 985 106 106 LYS HA H 4.000 0.03 1 986 106 106 LYS HB2 H 1.910 0.03 2 987 106 106 LYS HD2 H 1.700 0.03 2 988 106 106 LYS HD3 H 1.800 0.03 2 989 106 106 LYS HE2 H 3.160 0.03 2 990 106 106 LYS HG2 H 1.590 0.03 2 991 106 106 LYS C C 178.000 0.5 1 992 106 106 LYS CA C 58.660 0.5 1 993 106 106 LYS CB C 32.870 0.5 1 994 106 106 LYS CD C 28.600 0.5 1 995 106 106 LYS CE C 42.300 0.5 1 996 106 106 LYS CG C 24.800 0.5 1 997 106 106 LYS N N 125.140 0.4 1 998 107 107 ASN H H 8.000 0.03 1 999 107 107 ASN HA H 4.750 0.03 1 1000 107 107 ASN HB2 H 2.880 0.03 2 1001 107 107 ASN HB3 H 3.330 0.03 2 1002 107 107 ASN C C 174.400 0.5 1 1003 107 107 ASN CA C 51.730 0.5 1 1004 107 107 ASN CB C 36.860 0.5 1 1005 107 107 ASN N N 113.380 0.4 1 1006 108 108 ALA H H 7.890 0.03 1 1007 108 108 ALA HA H 4.050 0.03 1 1008 108 108 ALA HB H 1.390 0.03 1 1009 108 108 ALA C C 176.500 0.5 1 1010 108 108 ALA CA C 53.190 0.5 1 1011 108 108 ALA CB C 17.030 0.5 1 1012 108 108 ALA N N 121.610 0.4 1 1013 109 109 ASP H H 8.470 0.03 1 1014 109 109 ASP HA H 4.710 0.03 1 1015 109 109 ASP HB2 H 2.450 0.03 2 1016 109 109 ASP HB3 H 3.200 0.03 2 1017 109 109 ASP C C 177.400 0.5 1 1018 109 109 ASP CA C 53.250 0.5 1 1019 109 109 ASP CB C 41.010 0.5 1 1020 109 109 ASP N N 117.960 0.4 1 1021 110 110 GLY H H 10.400 0.03 1 1022 110 110 GLY HA2 H 3.450 0.03 2 1023 110 110 GLY HA3 H 4.060 0.03 2 1024 110 110 GLY C C 172.400 0.5 1 1025 110 110 GLY CA C 45.080 0.5 1 1026 110 110 GLY N N 112.150 0.4 1 1027 111 111 TYR H H 8.020 0.03 1 1028 111 111 TYR HA H 5.300 0.03 1 1029 111 111 TYR HB2 H 2.600 0.03 2 1030 111 111 TYR HB3 H 2.730 0.03 2 1031 111 111 TYR HD1 H 6.750 0.03 3 1032 111 111 TYR HE1 H 6.850 0.03 3 1033 111 111 TYR C C 174.850 0.5 1 1034 111 111 TYR CA C 56.070 0.5 1 1035 111 111 TYR CB C 43.140 0.5 1 1036 111 111 TYR CD1 C 133.900 0.5 3 1037 111 111 TYR CE1 C 118.200 0.5 3 1038 111 111 TYR N N 115.830 0.4 1 1039 112 112 ILE H H 10.060 0.03 1 1040 112 112 ILE HA H 4.920 0.03 1 1041 112 112 ILE HB H 1.920 0.03 1 1042 112 112 ILE HD1 H 0.430 0.03 1 1043 112 112 ILE HG12 H 0.680 0.03 1 1044 112 112 ILE HG13 H 1.070 0.03 1 1045 112 112 ILE HG2 H 0.950 0.03 1 1046 112 112 ILE C C 175.800 0.5 1 1047 112 112 ILE CA C 60.050 0.5 1 1048 112 112 ILE CB C 38.430 0.5 1 1049 112 112 ILE CD1 C 13.400 0.5 1 1050 112 112 ILE CG1 C 27.530 0.5 1 1051 112 112 ILE CG2 C 17.400 0.5 1 1052 112 112 ILE N N 126.140 0.4 1 1053 113 113 ASP H H 8.900 0.03 1 1054 113 113 ASP HA H 4.890 0.03 1 1055 113 113 ASP HB2 H 2.540 0.03 2 1056 113 113 ASP HB3 H 3.380 0.03 2 1057 113 113 ASP C C 175.500 0.5 1 1058 113 113 ASP CA C 52.020 0.5 1 1059 113 113 ASP CB C 41.930 0.5 1 1060 113 113 ASP N N 128.410 0.4 1 1061 114 114 LEU H H 8.500 0.03 1 1062 114 114 LEU HA H 3.970 0.03 1 1063 114 114 LEU HB2 H 1.730 0.03 2 1064 114 114 LEU HD1 H 0.970 0.03 2 1065 114 114 LEU HD2 H 0.970 0.03 2 1066 114 114 LEU HG H 1.720 0.03 1 1067 114 114 LEU C C 178.800 0.5 1 1068 114 114 LEU CA C 58.990 0.5 1 1069 114 114 LEU CB C 42.260 0.5 1 1070 114 114 LEU CD1 C 25.230 0.5 2 1071 114 114 LEU CD2 C 24.400 0.5 2 1072 114 114 LEU CG C 27.400 0.5 1 1073 114 114 LEU N N 118.060 0.4 1 1074 115 115 ASP H H 7.890 0.03 1 1075 115 115 ASP HA H 4.380 0.03 1 1076 115 115 ASP HB2 H 2.680 0.03 2 1077 115 115 ASP HB3 H 2.820 0.03 2 1078 115 115 ASP C C 179.400 0.5 1 1079 115 115 ASP CA C 57.800 0.5 1 1080 115 115 ASP CB C 40.700 0.5 1 1081 115 115 ASP N N 118.180 0.4 1 1082 116 116 GLU H H 8.580 0.03 1 1083 116 116 GLU HA H 4.080 0.03 1 1084 116 116 GLU HB2 H 2.480 0.03 2 1085 116 116 GLU HB3 H 2.290 0.03 2 1086 116 116 GLU HG2 H 2.870 0.03 2 1087 116 116 GLU C C 179.700 0.5 1 1088 116 116 GLU CA C 58.740 0.5 1 1089 116 116 GLU CB C 30.020 0.5 1 1090 116 116 GLU CG C 37.300 0.5 1 1091 116 116 GLU N N 121.030 0.4 1 1092 117 117 LEU H H 8.950 0.03 1 1093 117 117 LEU HA H 3.890 0.03 1 1094 117 117 LEU HB2 H 1.590 0.03 2 1095 117 117 LEU HB3 H 1.880 0.03 2 1096 117 117 LEU HD1 H 0.940 0.03 2 1097 117 117 LEU HD2 H 0.840 0.03 2 1098 117 117 LEU HG H 1.620 0.03 1 1099 117 117 LEU C C 178.200 0.5 1 1100 117 117 LEU CA C 57.770 0.5 1 1101 117 117 LEU CB C 42.200 0.5 1 1102 117 117 LEU CD1 C 24.100 0.5 2 1103 117 117 LEU CD2 C 24.100 0.5 2 1104 117 117 LEU CG C 26.200 0.5 1 1105 117 117 LEU N N 122.890 0.4 1 1106 118 118 LYS H H 8.090 0.03 1 1107 118 118 LYS HA H 3.770 0.03 1 1108 118 118 LYS HB2 H 2.010 0.03 2 1109 118 118 LYS HD2 H 1.750 0.03 2 1110 118 118 LYS HE2 H 2.890 0.03 2 1111 118 118 LYS HE3 H 2.950 0.03 2 1112 118 118 LYS HG2 H 1.330 0.03 2 1113 118 118 LYS HG3 H 1.590 0.03 2 1114 118 118 LYS C C 178.440 0.5 1 1115 118 118 LYS CA C 60.680 0.5 1 1116 118 118 LYS CB C 32.450 0.5 1 1117 118 118 LYS CD C 29.770 0.5 1 1118 118 118 LYS CE C 42.060 0.5 1 1119 118 118 LYS CG C 26.000 0.5 1 1120 118 118 LYS N N 118.000 0.4 1 1121 119 119 ILE H H 7.510 0.03 1 1122 119 119 ILE HA H 3.750 0.03 1 1123 119 119 ILE HB H 1.980 0.03 1 1124 119 119 ILE HD1 H 0.940 0.03 1 1125 119 119 ILE HG12 H 1.310 0.03 1 1126 119 119 ILE HG13 H 1.780 0.03 1 1127 119 119 ILE HG2 H 1.050 0.03 1 1128 119 119 ILE C C 178.340 0.5 1 1129 119 119 ILE CA C 64.610 0.5 1 1130 119 119 ILE CB C 38.050 0.5 1 1131 119 119 ILE CD1 C 13.010 0.5 1 1132 119 119 ILE CG1 C 29.200 0.5 1 1133 119 119 ILE CG2 C 17.350 0.5 1 1134 119 119 ILE N N 118.100 0.4 1 1135 120 120 MET H H 7.720 0.03 1 1136 120 120 MET HA H 2.990 0.03 1 1137 120 120 MET HB2 H 1.620 0.03 2 1138 120 120 MET HE H 1.880 0.03 1 1139 120 120 MET HG2 H 1.850 0.03 2 1140 120 120 MET C C 178.700 0.5 1 1141 120 120 MET CA C 58.410 0.5 1 1142 120 120 MET CB C 32.230 0.5 1 1143 120 120 MET CE C 16.750 0.5 1 1144 120 120 MET CG C 31.050 0.5 1 1145 120 120 MET N N 120.360 0.4 1 1146 121 121 LEU H H 8.270 0.03 1 1147 121 121 LEU HA H 4.040 0.03 1 1148 121 121 LEU HB2 H 1.610 0.03 2 1149 121 121 LEU HB3 H 1.790 0.03 2 1150 121 121 LEU HD1 H 0.850 0.03 2 1151 121 121 LEU HD2 H 0.850 0.03 2 1152 121 121 LEU HG H 1.620 0.03 1 1153 121 121 LEU C C 179.600 0.5 1 1154 121 121 LEU CA C 56.980 0.5 1 1155 121 121 LEU CB C 41.410 0.5 1 1156 121 121 LEU CD1 C 22.500 0.5 2 1157 121 121 LEU CD2 C 22.500 0.5 2 1158 121 121 LEU CG C 26.630 0.5 1 1159 121 121 LEU N N 118.600 0.4 1 1160 122 122 GLN H H 8.140 0.03 1 1161 122 122 GLN HA H 4.230 0.03 1 1162 122 122 GLN HB2 H 2.200 0.03 2 1163 122 122 GLN HG2 H 2.620 0.03 2 1164 122 122 GLN HG3 H 2.420 0.03 2 1165 122 122 GLN C C 178.200 0.5 1 1166 122 122 GLN CA C 57.970 0.5 1 1167 122 122 GLN CB C 28.590 0.5 1 1168 122 122 GLN CG C 34.740 0.5 1 1169 122 122 GLN N N 118.340 0.4 1 1170 123 123 ALA H H 7.750 0.03 1 1171 123 123 ALA HA H 4.340 0.03 1 1172 123 123 ALA HB H 1.630 0.03 1 1173 123 123 ALA C C 178.900 0.5 1 1174 123 123 ALA CA C 54.230 0.5 1 1175 123 123 ALA CB C 19.200 0.5 1 1176 123 123 ALA N N 121.950 0.4 1 1177 124 124 THR H H 7.680 0.03 1 1178 124 124 THR HA H 4.410 0.03 1 1179 124 124 THR HB H 4.480 0.03 1 1180 124 124 THR HG2 H 1.370 0.03 1 1181 124 124 THR C C 175.700 0.5 1 1182 124 124 THR CA C 62.460 0.5 1 1183 124 124 THR CB C 70.180 0.5 1 1184 124 124 THR CG2 C 21.680 0.5 1 1185 124 124 THR N N 107.710 0.4 1 1186 125 125 GLY H H 7.920 0.03 1 1187 125 125 GLY HA2 H 3.900 0.03 2 1188 125 125 GLY HA3 H 4.190 0.03 2 1189 125 125 GLY C C 174.200 0.5 1 1190 125 125 GLY CA C 45.680 0.5 1 1191 125 125 GLY N N 109.430 0.4 1 1192 126 126 GLU H H 7.970 0.03 1 1193 126 126 GLU HA H 4.410 0.03 1 1194 126 126 GLU HB2 H 1.860 0.03 2 1195 126 126 GLU HB3 H 2.070 0.03 2 1196 126 126 GLU HG2 H 2.240 0.03 2 1197 126 126 GLU HG3 H 2.290 0.03 2 1198 126 126 GLU C C 176.600 0.5 1 1199 126 126 GLU CA C 56.130 0.5 1 1200 126 126 GLU CB C 30.580 0.5 1 1201 126 126 GLU CG C 36.020 0.5 1 1202 126 126 GLU N N 120.140 0.4 1 1203 127 127 THR H H 8.570 0.03 1 1204 127 127 THR HA H 4.300 0.03 1 1205 127 127 THR HB H 4.190 0.03 1 1206 127 127 THR HG2 H 1.200 0.03 1 1207 127 127 THR C C 174.000 0.5 1 1208 127 127 THR CA C 62.530 0.5 1 1209 127 127 THR CB C 69.110 0.5 1 1210 127 127 THR CG2 C 21.700 0.5 1 1211 127 127 THR N N 117.070 0.4 1 1212 128 128 ILE H H 8.130 0.03 1 1213 128 128 ILE HA H 4.610 0.03 1 1214 128 128 ILE HB H 1.940 0.03 1 1215 128 128 ILE HD1 H 0.780 0.03 1 1216 128 128 ILE HG12 H 1.280 0.03 1 1217 128 128 ILE HG13 H 1.440 0.03 1 1218 128 128 ILE HG2 H 0.920 0.03 1 1219 128 128 ILE C C 175.500 0.5 1 1220 128 128 ILE CA C 59.610 0.5 1 1221 128 128 ILE CB C 39.810 0.5 1 1222 128 128 ILE CD1 C 13.200 0.5 1 1223 128 128 ILE CG1 C 27.030 0.5 1 1224 128 128 ILE CG2 C 17.730 0.5 1 1225 128 128 ILE N N 124.910 0.4 1 1226 129 129 THR H H 8.890 0.03 1 1227 129 129 THR HA H 4.620 0.03 1 1228 129 129 THR HB H 4.630 0.03 1 1229 129 129 THR HG2 H 1.320 0.03 1 1230 129 129 THR C C 175.500 0.5 1 1231 129 129 THR CA C 60.650 0.5 1 1232 129 129 THR CB C 71.700 0.5 1 1233 129 129 THR CG2 C 21.700 0.5 1 1234 129 129 THR N N 117.030 0.4 1 1235 130 130 GLU H H 8.950 0.03 1 1236 130 130 GLU HA H 3.970 0.03 1 1237 130 130 GLU HB2 H 2.100 0.03 2 1238 130 130 GLU HG2 H 2.380 0.03 2 1239 130 130 GLU C C 178.600 0.5 1 1240 130 130 GLU CA C 60.200 0.5 1 1241 130 130 GLU CB C 29.300 0.5 1 1242 130 130 GLU CG C 36.780 0.5 1 1243 130 130 GLU N N 120.590 0.4 1 1244 131 131 ASP H H 8.190 0.03 1 1245 131 131 ASP HA H 4.410 0.03 1 1246 131 131 ASP HB2 H 2.700 0.03 2 1247 131 131 ASP HB3 H 2.530 0.03 2 1248 131 131 ASP C C 178.200 0.5 1 1249 131 131 ASP CA C 57.060 0.5 1 1250 131 131 ASP CB C 40.520 0.5 1 1251 131 131 ASP N N 117.870 0.4 1 1252 132 132 ASP H H 7.690 0.03 1 1253 132 132 ASP HA H 4.450 0.03 1 1254 132 132 ASP HB2 H 2.720 0.03 2 1255 132 132 ASP HB3 H 2.540 0.03 2 1256 132 132 ASP C C 179.000 0.5 1 1257 132 132 ASP CA C 57.130 0.5 1 1258 132 132 ASP CB C 40.870 0.5 1 1259 132 132 ASP N N 120.060 0.4 1 1260 133 133 ILE H H 7.850 0.03 1 1261 133 133 ILE HA H 3.610 0.03 1 1262 133 133 ILE HB H 2.000 0.03 1 1263 133 133 ILE HD1 H 0.830 0.03 1 1264 133 133 ILE HG12 H 1.050 0.03 1 1265 133 133 ILE HG13 H 1.750 0.03 1 1266 133 133 ILE HG2 H 0.920 0.03 1 1267 133 133 ILE C C 177.000 0.5 1 1268 133 133 ILE CA C 64.860 0.5 1 1269 133 133 ILE CB C 37.580 0.5 1 1270 133 133 ILE CD1 C 13.600 0.5 1 1271 133 133 ILE CG1 C 29.000 0.5 1 1272 133 133 ILE CG2 C 18.000 0.5 1 1273 133 133 ILE N N 120.640 0.4 1 1274 134 134 GLU H H 8.010 0.03 1 1275 134 134 GLU HA H 3.900 0.03 1 1276 134 134 GLU HB2 H 2.160 0.03 2 1277 134 134 GLU HG2 H 2.260 0.03 2 1278 134 134 GLU HG3 H 2.490 0.03 2 1279 134 134 GLU C C 179.300 0.5 1 1280 134 134 GLU CA C 59.940 0.5 1 1281 134 134 GLU CB C 29.370 0.5 1 1282 134 134 GLU CG C 36.670 0.5 1 1283 134 134 GLU N N 119.330 0.4 1 1284 135 135 GLU H H 7.830 0.03 1 1285 135 135 GLU HA H 4.070 0.03 1 1286 135 135 GLU HB2 H 2.120 0.03 2 1287 135 135 GLU HG2 H 2.380 0.03 2 1288 135 135 GLU C C 178.500 0.5 1 1289 135 135 GLU CA C 59.340 0.5 1 1290 135 135 GLU CB C 29.460 0.5 1 1291 135 135 GLU CG C 36.000 0.5 1 1292 135 135 GLU N N 118.780 0.4 1 1293 136 136 LEU H H 7.840 0.03 1 1294 136 136 LEU HA H 4.130 0.03 1 1295 136 136 LEU HB2 H 1.610 0.03 2 1296 136 136 LEU HB3 H 1.880 0.03 2 1297 136 136 LEU HD1 H 0.900 0.03 2 1298 136 136 LEU HD2 H 0.900 0.03 2 1299 136 136 LEU HG H 1.750 0.03 1 1300 136 136 LEU C C 179.400 0.5 1 1301 136 136 LEU CA C 58.180 0.5 1 1302 136 136 LEU CB C 42.010 0.5 1 1303 136 136 LEU CD1 C 25.600 0.5 2 1304 136 136 LEU CD2 C 24.400 0.5 2 1305 136 136 LEU CG C 27.460 0.5 1 1306 136 136 LEU N N 121.220 0.4 1 1307 137 137 MET H H 8.160 0.03 1 1308 137 137 MET HA H 4.170 0.03 1 1309 137 137 MET HB2 H 1.890 0.03 2 1310 137 137 MET HE H 1.950 0.03 1 1311 137 137 MET C C 177.600 0.5 1 1312 137 137 MET CA C 57.610 0.5 1 1313 137 137 MET CB C 31.180 0.5 1 1314 137 137 MET CE C 17.400 0.5 1 1315 137 137 MET CG C 32.150 0.5 1 1316 137 137 MET N N 117.520 0.4 1 1317 138 138 LYS H H 7.850 0.03 1 1318 138 138 LYS HA H 4.080 0.03 1 1319 138 138 LYS HB2 H 1.900 0.03 2 1320 138 138 LYS HD2 H 1.720 0.03 2 1321 138 138 LYS HE2 H 2.990 0.03 2 1322 138 138 LYS HG2 H 1.460 0.03 2 1323 138 138 LYS C C 178.700 0.5 1 1324 138 138 LYS CA C 59.290 0.5 1 1325 138 138 LYS CB C 32.250 0.5 1 1326 138 138 LYS CD C 29.400 0.5 1 1327 138 138 LYS CE C 42.100 0.5 1 1328 138 138 LYS CG C 25.200 0.5 1 1329 138 138 LYS N N 117.750 0.4 1 1330 139 139 ASP H H 7.840 0.03 1 1331 139 139 ASP HA H 4.540 0.03 1 1332 139 139 ASP HB2 H 2.820 0.03 2 1333 139 139 ASP HB3 H 2.980 0.03 2 1334 139 139 ASP C C 178.700 0.5 1 1335 139 139 ASP CA C 56.390 0.5 1 1336 139 139 ASP CB C 41.540 0.5 1 1337 139 139 ASP N N 117.100 0.4 1 1338 140 140 GLY H H 8.140 0.03 1 1339 140 140 GLY HA2 H 4.130 0.03 2 1340 140 140 GLY HA3 H 3.160 0.03 2 1341 140 140 GLY C C 174.200 0.5 1 1342 140 140 GLY CA C 45.740 0.5 1 1343 140 140 GLY N N 104.870 0.4 1 1344 141 141 ASP H H 8.190 0.03 1 1345 141 141 ASP HA H 4.640 0.03 1 1346 141 141 ASP HB2 H 3.020 0.03 2 1347 141 141 ASP HB3 H 2.460 0.03 2 1348 141 141 ASP C C 176.700 0.5 1 1349 141 141 ASP CA C 53.180 0.5 1 1350 141 141 ASP CB C 39.620 0.5 1 1351 141 141 ASP N N 120.090 0.4 1 1352 142 142 LYS H H 7.840 0.03 1 1353 142 142 LYS HA H 4.200 0.03 1 1354 142 142 LYS HB2 H 1.980 0.03 2 1355 142 142 LYS HD2 H 1.790 0.03 2 1356 142 142 LYS HE2 H 3.130 0.03 2 1357 142 142 LYS HG2 H 1.560 0.03 2 1358 142 142 LYS HG3 H 1.730 0.03 2 1359 142 142 LYS C C 177.770 0.5 1 1360 142 142 LYS CA C 57.790 0.5 1 1361 142 142 LYS CB C 32.930 0.5 1 1362 142 142 LYS CD C 28.470 0.5 1 1363 142 142 LYS CE C 42.210 0.5 1 1364 142 142 LYS CG C 24.810 0.5 1 1365 142 142 LYS N N 125.780 0.4 1 1366 143 143 ASN H H 8.150 0.03 1 1367 143 143 ASN HA H 4.860 0.03 1 1368 143 143 ASN HB2 H 3.350 0.03 2 1369 143 143 ASN HB3 H 2.880 0.03 2 1370 143 143 ASN C C 175.100 0.5 1 1371 143 143 ASN CA C 51.660 0.5 1 1372 143 143 ASN CB C 37.220 0.5 1 1373 143 143 ASN N N 113.650 0.4 1 1374 144 144 ASN H H 7.780 0.03 1 1375 144 144 ASN HA H 4.500 0.03 1 1376 144 144 ASN HB2 H 2.710 0.03 2 1377 144 144 ASN HB3 H 3.100 0.03 2 1378 144 144 ASN C C 175.100 0.5 1 1379 144 144 ASN CA C 55.110 0.5 1 1380 144 144 ASN CB C 37.760 0.5 1 1381 144 144 ASN N N 115.510 0.4 1 1382 145 145 ASP H H 8.600 0.03 1 1383 145 145 ASP HA H 4.710 0.03 1 1384 145 145 ASP HB2 H 2.680 0.03 2 1385 145 145 ASP HB3 H 2.820 0.03 2 1386 145 145 ASP CA C 53.060 0.5 1 1387 145 145 ASP CB C 40.960 0.5 1 1388 145 145 ASP N N 118.000 0.4 1 1389 146 146 GLY H H 10.420 0.03 1 1390 146 146 GLY HA2 H 4.070 0.03 2 1391 146 146 GLY HA3 H 3.510 0.03 2 1392 146 146 GLY C C 173.000 0.5 1 1393 146 146 GLY CA C 45.880 0.5 1 1394 146 146 GLY N N 113.010 0.4 1 1395 147 147 ARG H H 7.780 0.03 1 1396 147 147 ARG HA H 4.850 0.03 1 1397 147 147 ARG HB2 H 1.530 0.03 2 1398 147 147 ARG HB3 H 1.650 0.03 2 1399 147 147 ARG HD2 H 2.280 0.03 2 1400 147 147 ARG HD3 H 2.570 0.03 2 1401 147 147 ARG HG2 H 1.270 0.03 2 1402 147 147 ARG HG3 H 1.330 0.03 2 1403 147 147 ARG C C 174.500 0.5 1 1404 147 147 ARG CA C 54.040 0.5 1 1405 147 147 ARG CB C 34.250 0.5 1 1406 147 147 ARG CD C 43.200 0.5 1 1407 147 147 ARG CG C 25.700 0.5 1 1408 147 147 ARG N N 115.530 0.4 1 1409 148 148 ILE H H 9.300 0.03 1 1410 148 148 ILE HA H 5.270 0.03 1 1411 148 148 ILE HB H 2.160 0.03 1 1412 148 148 ILE HD1 H 0.610 0.03 1 1413 148 148 ILE HG12 H 0.970 0.03 1 1414 148 148 ILE HG13 H 1.520 0.03 1 1415 148 148 ILE HG2 H 1.230 0.03 1 1416 148 148 ILE C C 176.000 0.5 1 1417 148 148 ILE CA C 59.480 0.5 1 1418 148 148 ILE CB C 39.240 0.5 1 1419 148 148 ILE CD1 C 12.300 0.5 1 1420 148 148 ILE CG1 C 27.900 0.5 1 1421 148 148 ILE CG2 C 17.600 0.5 1 1422 148 148 ILE N N 125.940 0.4 1 1423 149 149 ASP H H 9.280 0.03 1 1424 149 149 ASP HA H 5.270 0.03 1 1425 149 149 ASP HB2 H 2.890 0.03 2 1426 149 149 ASP HB3 H 3.270 0.03 2 1427 149 149 ASP C C 176.000 0.5 1 1428 149 149 ASP CA C 52.450 0.5 1 1429 149 149 ASP CB C 41.970 0.5 1 1430 149 149 ASP N N 128.630 0.4 1 1431 150 150 TYR H H 8.490 0.03 1 1432 150 150 TYR HA H 3.380 0.03 1 1433 150 150 TYR HB2 H 2.190 0.03 2 1434 150 150 TYR HB3 H 2.500 0.03 2 1435 150 150 TYR HD1 H 6.400 0.03 3 1436 150 150 TYR HE1 H 6.610 0.03 3 1437 150 150 TYR C C 176.330 0.5 1 1438 150 150 TYR CA C 62.100 0.5 1 1439 150 150 TYR CB C 38.210 0.5 1 1440 150 150 TYR CD1 C 132.900 0.5 3 1441 150 150 TYR CE1 C 117.800 0.5 3 1442 150 150 TYR N N 118.680 0.4 1 1443 151 151 ASP H H 7.770 0.03 1 1444 151 151 ASP HA H 4.180 0.03 1 1445 151 151 ASP HB2 H 2.640 0.03 2 1446 151 151 ASP HB3 H 2.760 0.03 2 1447 151 151 ASP C C 180.500 0.5 1 1448 151 151 ASP CA C 57.910 0.5 1 1449 151 151 ASP CB C 40.660 0.5 1 1450 151 151 ASP N N 117.530 0.4 1 1451 152 152 GLU H H 8.830 0.03 1 1452 152 152 GLU HA H 4.130 0.03 1 1453 152 152 GLU HG2 H 2.350 0.03 2 1454 152 152 GLU C C 180.100 0.5 1 1455 152 152 GLU CA C 58.680 0.5 1 1456 152 152 GLU CB C 30.090 0.5 1 1457 152 152 GLU CG C 37.200 0.5 1 1458 152 152 GLU N N 120.700 0.4 1 1459 153 153 PHE H H 9.290 0.03 1 1460 153 153 PHE HA H 4.120 0.03 1 1461 153 153 PHE HB2 H 3.330 0.03 2 1462 153 153 PHE HB3 H 3.420 0.03 2 1463 153 153 PHE HD1 H 7.110 0.03 3 1464 153 153 PHE HE1 H 7.470 0.03 3 1465 153 153 PHE C C 176.370 0.5 1 1466 153 153 PHE CA C 61.790 0.5 1 1467 153 153 PHE CB C 39.870 0.5 1 1468 153 153 PHE CD1 C 132.000 0.5 3 1469 153 153 PHE CE1 C 132.100 0.5 3 1470 153 153 PHE N N 124.370 0.4 1 1471 154 154 LEU H H 8.190 0.03 1 1472 154 154 LEU HA H 3.670 0.03 1 1473 154 154 LEU HB2 H 1.340 0.03 2 1474 154 154 LEU HB3 H 1.752 0.03 2 1475 154 154 LEU HD1 H 0.710 0.03 2 1476 154 154 LEU HD2 H 0.770 0.03 2 1477 154 154 LEU HG H 1.400 0.03 1 1478 154 154 LEU C C 179.340 0.5 1 1479 154 154 LEU CA C 58.330 0.5 1 1480 154 154 LEU CB C 41.770 0.5 1 1481 154 154 LEU CD1 C 25.300 0.5 2 1482 154 154 LEU CD2 C 23.500 0.5 2 1483 154 154 LEU CG C 26.600 0.5 1 1484 154 154 LEU N N 118.430 0.4 1 1485 155 155 GLU H H 7.270 0.03 1 1486 155 155 GLU HA H 4.030 0.03 1 1487 155 155 GLU HB2 H 2.100 0.03 2 1488 155 155 GLU HG2 H 2.100 0.03 2 1489 155 155 GLU HG3 H 2.350 0.03 2 1490 155 155 GLU C C 178.800 0.5 1 1491 155 155 GLU CA C 58.910 0.5 1 1492 155 155 GLU CB C 29.770 0.5 1 1493 155 155 GLU CG C 36.200 0.5 1 1494 155 155 GLU N N 116.130 0.4 1 1495 156 156 PHE H H 8.360 0.03 1 1496 156 156 PHE HA H 4.400 0.03 1 1497 156 156 PHE HB2 H 3.350 0.03 2 1498 156 156 PHE HB3 H 3.130 0.03 2 1499 156 156 PHE HD1 H 7.030 0.03 3 1500 156 156 PHE HE1 H 7.230 0.03 3 1501 156 156 PHE C C 177.700 0.5 1 1502 156 156 PHE CA C 59.950 0.5 1 1503 156 156 PHE CB C 39.960 0.5 1 1504 156 156 PHE CD1 C 131.400 0.5 3 1505 156 156 PHE CE1 C 131.400 0.5 3 1506 156 156 PHE N N 120.880 0.4 1 1507 157 157 MET H H 8.140 0.03 1 1508 157 157 MET HA H 4.180 0.03 1 1509 157 157 MET HB2 H 1.543 0.03 2 1510 157 157 MET HG2 H 1.760 0.03 2 1511 157 157 MET HG3 H 1.550 0.03 2 1512 157 157 MET C C 178.050 0.5 1 1513 157 157 MET CA C 54.830 0.5 1 1514 157 157 MET CB C 31.240 0.5 1 1515 157 157 MET CG C 31.700 0.5 1 1516 157 157 MET N N 115.580 0.4 1 1517 158 158 LYS H H 7.520 0.03 1 1518 158 158 LYS HA H 4.090 0.03 1 1519 158 158 LYS HB2 H 1.900 0.03 2 1520 158 158 LYS HD2 H 1.700 0.03 2 1521 158 158 LYS HE2 H 2.960 0.03 2 1522 158 158 LYS HG2 H 1.610 0.03 2 1523 158 158 LYS HG3 H 1.460 0.03 2 1524 158 158 LYS C C 177.600 0.5 1 1525 158 158 LYS CA C 58.320 0.5 1 1526 158 158 LYS CB C 32.510 0.5 1 1527 158 158 LYS CD C 29.400 0.5 1 1528 158 158 LYS CE C 42.000 0.5 1 1529 158 158 LYS CG C 25.100 0.5 1 1530 158 158 LYS N N 119.580 0.4 1 1531 159 159 GLY H H 7.860 0.03 1 1532 159 159 GLY HA2 H 4.050 0.03 2 1533 159 159 GLY HA3 H 3.850 0.03 2 1534 159 159 GLY C C 174.100 0.5 1 1535 159 159 GLY CA C 45.360 0.5 1 1536 159 159 GLY N N 107.190 0.4 1 1537 160 160 VAL H H 7.490 0.03 1 1538 160 160 VAL HA H 4.080 0.03 1 1539 160 160 VAL HB H 2.060 0.03 1 1540 160 160 VAL HG1 H 0.800 0.03 2 1541 160 160 VAL HG2 H 0.850 0.03 2 1542 160 160 VAL C C 174.100 0.5 1 1543 160 160 VAL CA C 62.280 0.5 1 1544 160 160 VAL CB C 32.740 0.5 1 1545 160 160 VAL CG1 C 20.600 0.5 2 1546 160 160 VAL CG2 C 21.100 0.5 2 1547 160 160 VAL N N 118.910 0.4 1 1548 161 161 GLU H H 7.900 0.03 1 1549 161 161 GLU HA H 4.080 0.03 1 1550 161 161 GLU HB2 H 2.030 0.03 2 1551 161 161 GLU HB3 H 1.900 0.03 2 1552 161 161 GLU CA C 58.220 0.5 1 1553 161 161 GLU CB C 31.260 0.5 1 1554 161 161 GLU N N 129.300 0.4 1 stop_ save_