data_15400 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side chain chemical shift assignments of the F153-to-5-flurotryptophan mutant of human cardiac troponin C ; _BMRB_accession_number 15400 _BMRB_flat_file_name bmr15400.str _Entry_type original _Submission_date 2007-07-20 _Accession_date 2007-07-20 _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" 727 "13C chemical shifts" 490 "15N chemical shifts" 151 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-04-21 update BMRB 'update atom names of FTR' 2007-08-13 original author 'original release' stop_ 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 'F153(FTR) cTnC' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'F153(FTR) cTnC' $F153(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 'F153(FTR) cTnC' save_ ######################## # Monomeric polymers # ######################## save_F153(FTR) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common F153(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 FRMFDKNADGYIDLDELKIM LQATGETITEDDIEELMKDG DKNNDGRIDYDEXLEFMKGV 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 FTR 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 99.38 7.18e-105 BMRB 15388 F153W 100.00 161 99.38 99.38 1.39e-105 BMRB 15427 F104(FTR) 100.00 161 98.76 99.38 7.18e-105 BMRB 16190 cNTnC 55.28 89 100.00 100.00 1.21e-53 BMRB 17103 cNTnC 55.28 89 97.75 97.75 9.00e-53 BMRB 19789 cNTnC 55.28 89 97.75 97.75 9.00e-53 BMRB 25034 cChimera 55.28 141 98.88 98.88 1.78e-53 BMRB 25035 cChimeraX 55.28 141 98.88 98.88 1.34e-53 BMRB 25120 cTnC 100.00 161 99.38 99.38 2.41e-105 BMRB 25495 cNTnC 55.28 89 97.75 97.75 9.00e-53 BMRB 25797 entity_1 55.28 89 98.88 98.88 1.22e-52 PDB 1AJ4 "Structure Of Calcium-Saturated Cardiac Troponin C, Nmr, 1 Structure" 98.76 161 98.11 99.37 4.04e-103 PDB 1AP4 "Regulatory Domain Of Human Cardiac Troponin C In The Calcium-Saturated State, Nmr, 40 Structures" 55.28 89 97.75 97.75 9.00e-53 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 99.38 9.54e-105 PDB 1J1D "Crystal Structure Of The 46kda Domain Of Human Cardiac Troponin In The Ca2+ Saturated Form" 100.00 161 98.76 99.38 9.54e-105 PDB 1J1E "Crystal Structure Of The 52kda Domain Of Human Cardiac Troponin In The Ca2+ Saturated Form" 100.00 161 98.76 99.38 9.54e-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 9.00e-53 PDB 1MXL "Structure Of Cardiac Troponin C-troponin I Complex" 55.28 89 97.75 97.75 9.00e-53 PDB 1SPY "Regulatory Domain Of Human Cardiac Troponin C In The Calcium-Free State, Nmr, 40 Structures" 55.28 89 97.75 97.75 9.00e-53 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 6.52e-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 6.52e-53 PDB 2CTN "Structure Of Calcium-Saturated Cardiac Troponin C, Nmr, 30 Structures" 54.04 89 100.00 100.00 2.03e-52 PDB 2JT0 "Solution Structure Of F104w Cardiac Troponin C" 100.00 161 98.76 99.38 7.18e-105 PDB 2JT3 "Solution Structure Of F153w Cardiac Troponin C" 100.00 161 99.38 99.38 1.39e-105 PDB 2JT8 "Solution Structure Of The F153-To-5-Flurotryptophan Mutant Of Human Cardiac Troponin C" 100.00 161 100.00 100.00 1.51e-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 98.76 3.82e-104 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 1.21e-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 9.00e-53 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 9.00e-53 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 9.00e-53 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 9.00e-53 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 9.00e-53 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 9.00e-53 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 9.00e-53 DBJ BAG36483 "unnamed protein product [Homo sapiens]" 100.00 161 98.14 98.14 2.81e-104 EMBL CAA30736 "unnamed protein product [Homo sapiens]" 100.00 161 98.14 98.14 2.81e-104 EMBL CAG46663 "TNNC1 [Homo sapiens]" 100.00 161 98.14 98.14 2.81e-104 EMBL CAG46683 "TNNC1 [Homo sapiens]" 100.00 161 98.14 98.14 2.81e-104 GB AAA36772 "slow twitch skeletal/cardiac muscle troponin C [Homo sapiens]" 100.00 161 98.14 98.14 2.81e-104 GB AAA37492 "slow/cardiac troponin C, partial [Mus musculus]" 100.00 161 97.52 98.14 1.06e-103 GB AAA37493 "slow/cardiac troponin C [Mus musculus]" 100.00 161 97.52 98.14 1.06e-103 GB AAB91994 "cardiac ventricular troponin C [Homo sapiens]" 100.00 160 97.52 97.52 6.48e-102 GB AAH30244 "Troponin C type 1 (slow) [Homo sapiens]" 100.00 161 98.14 98.14 2.81e-104 PIR TPHUCC "troponin C, cardiac and slow skeletal muscle - human" 100.00 161 98.14 98.14 2.81e-104 PRF 1510257A "troponin C" 100.00 161 97.52 98.14 1.30e-103 PRF 750650A "troponin c,cardiac" 100.00 161 97.52 98.14 1.30e-103 REF NP_001029277 "troponin C, slow skeletal and cardiac muscles [Rattus norvegicus]" 100.00 161 97.52 98.14 1.06e-103 REF NP_001029523 "troponin C, slow skeletal and cardiac muscles [Bos taurus]" 100.00 161 97.52 98.14 1.30e-103 REF NP_001123715 "troponin C, slow skeletal and cardiac muscles [Sus scrofa]" 100.00 161 97.52 98.14 1.30e-103 REF NP_001272501 "troponin C, slow skeletal and cardiac muscles [Capra hircus]" 100.00 161 97.52 98.14 1.30e-103 REF NP_003271 "troponin C, slow skeletal and cardiac muscles [Homo sapiens]" 100.00 161 98.14 98.14 2.81e-104 SP P02591 "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C" 100.00 161 98.14 98.14 2.81e-104 SP P19123 "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C" 100.00 161 97.52 98.14 1.06e-103 SP P63315 "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C" 100.00 161 97.52 98.14 1.30e-103 SP P63316 "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C" 100.00 161 98.14 98.14 2.81e-104 SP P63317 "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C" 100.00 161 97.52 98.14 1.30e-103 TPG DAA16908 "TPA: troponin C, slow skeletal and cardiac muscles [Bos taurus]" 100.00 161 97.52 98.14 1.30e-103 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_FTR _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common FLUOROTRYPTOPHANE _BMRB_code . _PDB_code FTR _Standard_residue_derivative . _Molecular_mass 222.216 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Oct 10 14:08:01 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? CB CB C . 0 . ? CG CG C . 0 . ? CD2 CD2 C . 0 . ? CE2 CE2 C . 0 . ? CE3 CE3 C . 0 . ? CD1 CD1 C . 0 . ? NE1 NE1 N . 0 . ? CZ2 CZ2 C . 0 . ? CZ3 CZ3 C . 0 . ? F F F . 0 . ? CH2 CH2 C . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? H H H . 0 . ? H2 H2 H . 0 . ? HA HA H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HE3 HE3 H . 0 . ? HD1 HD1 H . 0 . ? HE1 HE1 H . 0 . ? HZ2 HZ2 H . 0 . ? HH2 HH2 H . 0 . ? HXT HXT H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N H ? ? SING N H2 ? ? SING CA CB ? ? SING CA C ? ? SING CA HA ? ? SING CB CG ? ? SING CB HB2 ? ? SING CB HB3 ? ? SING CG CD2 ? ? DOUB CG CD1 ? ? DOUB CD2 CE2 ? ? SING CD2 CE3 ? ? SING CE2 NE1 ? ? SING CE2 CZ2 ? ? DOUB CE3 CZ3 ? ? SING CE3 HE3 ? ? SING CD1 NE1 ? ? SING CD1 HD1 ? ? SING NE1 HE1 ? ? DOUB CZ2 CH2 ? ? SING CZ2 HZ2 ? ? SING CZ3 F ? ? SING CZ3 CH2 ? ? SING CH2 HH2 ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? 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 Mon Oct 10 14:07:05 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 $F153(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 $F153(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 $F153(FTR) 1.0 mM 'natural abundance' $CA 10 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' H2O 90 mM . D2O 10 mM . 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 . . . 0.25144953 $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 'F153(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 3 3 ASP H H 8.560 0.03 1 2 3 3 ASP HA H 4.480 0.03 1 3 3 3 ASP HB2 H 2.670 0.03 2 4 3 3 ASP HB3 H 2.720 0.03 2 5 3 3 ASP CA C 56.230 0.5 1 6 3 3 ASP CB C 41.230 0.5 1 7 3 3 ASP N N 122.810 0.4 1 8 4 4 ILE H H 8.270 0.03 1 9 4 4 ILE HA H 3.930 0.03 1 10 4 4 ILE HB H 1.680 0.03 1 11 4 4 ILE HD1 H 0.710 0.03 1 12 4 4 ILE HG12 H 0.970 0.03 1 13 4 4 ILE HG2 H 0.600 0.03 1 14 4 4 ILE CA C 63.710 0.5 1 15 4 4 ILE CB C 37.760 0.5 1 16 4 4 ILE CD1 C 13.400 0.5 1 17 4 4 ILE CG1 C 27.200 0.5 1 18 4 4 ILE CG2 C 17.000 0.5 1 19 4 4 ILE N N 119.360 0.4 1 20 5 5 TYR H H 7.650 0.03 1 21 5 5 TYR HA H 4.500 0.03 1 22 5 5 TYR HB2 H 2.940 0.03 2 23 5 5 TYR HB3 H 3.100 0.03 2 24 5 5 TYR HD1 H 7.080 0.03 3 25 5 5 TYR HE1 H 6.820 0.03 3 26 5 5 TYR CA C 59.680 0.5 1 27 5 5 TYR CB C 37.840 0.5 1 28 5 5 TYR CD1 C 132.700 0.5 3 29 5 5 TYR CE1 C 118.600 0.5 3 30 5 5 TYR N N 120.780 0.4 1 31 6 6 LYS H H 7.900 0.03 1 32 6 6 LYS HA H 4.010 0.03 1 33 6 6 LYS HB2 H 1.880 0.03 2 34 6 6 LYS HD2 H 1.730 0.03 2 35 6 6 LYS HE2 H 3.020 0.03 2 36 6 6 LYS HG2 H 1.460 0.03 2 37 6 6 LYS CA C 59.670 0.5 1 38 6 6 LYS CB C 32.540 0.5 1 39 6 6 LYS CD C 29.400 0.5 1 40 6 6 LYS CE C 42.100 0.5 1 41 6 6 LYS CG C 25.400 0.5 1 42 6 6 LYS N N 120.740 0.4 1 43 7 7 ALA H H 7.950 0.03 1 44 7 7 ALA HA H 4.170 0.03 1 45 7 7 ALA HB H 1.430 0.03 1 46 7 7 ALA CA C 54.540 0.5 1 47 7 7 ALA CB C 18.050 0.5 1 48 7 7 ALA N N 120.370 0.4 1 49 8 8 ALA H H 7.550 0.03 1 50 8 8 ALA HA H 4.197 0.03 1 51 8 8 ALA HB H 1.580 0.03 1 52 8 8 ALA CA C 54.590 0.5 1 53 8 8 ALA CB C 18.470 0.5 1 54 8 8 ALA N N 120.030 0.4 1 55 9 9 VAL H H 8.120 0.03 1 56 9 9 VAL HA H 3.610 0.03 1 57 9 9 VAL HB H 2.230 0.03 1 58 9 9 VAL HG1 H 0.960 0.03 2 59 9 9 VAL HG2 H 1.010 0.03 2 60 9 9 VAL CA C 66.150 0.5 1 61 9 9 VAL CB C 31.900 0.5 1 62 9 9 VAL CG1 C 22.000 0.5 1 63 9 9 VAL CG2 C 23.200 0.5 1 64 9 9 VAL N N 119.010 0.4 1 65 10 10 GLU H H 7.830 0.03 1 66 10 10 GLU HA H 4.130 0.03 1 67 10 10 GLU HB2 H 2.140 0.03 2 68 10 10 GLU HG2 H 2.340 0.03 2 69 10 10 GLU HG3 H 2.470 0.03 2 70 10 10 GLU CA C 58.250 0.5 1 71 10 10 GLU CB C 29.470 0.5 1 72 10 10 GLU CG C 36.600 0.5 1 73 10 10 GLU N N 118.710 0.4 1 74 11 11 GLN H H 7.400 0.03 1 75 11 11 GLN HA H 4.310 0.03 1 76 11 11 GLN HB2 H 2.070 0.03 2 77 11 11 GLN HB3 H 2.340 0.03 2 78 11 11 GLN HG2 H 2.510 0.03 2 79 11 11 GLN CA C 55.670 0.5 1 80 11 11 GLN CB C 29.410 0.5 1 81 11 11 GLN CG C 34.200 0.5 1 82 11 11 GLN N N 114.950 0.4 1 83 12 12 LEU H H 7.370 0.03 1 84 12 12 LEU HA H 4.510 0.03 1 85 12 12 LEU HB2 H 1.390 0.03 2 86 12 12 LEU HB3 H 1.930 0.03 2 87 12 12 LEU HD1 H 0.990 0.03 2 88 12 12 LEU HD2 H 0.920 0.03 2 89 12 12 LEU HG H 2.115 0.03 1 90 12 12 LEU CA C 55.130 0.5 1 91 12 12 LEU CB C 43.180 0.5 1 92 12 12 LEU CD1 C 27.400 0.5 1 93 12 12 LEU CD2 C 23.200 0.5 1 94 12 12 LEU CG C 26.400 0.5 1 95 12 12 LEU N N 120.730 0.4 1 96 13 13 THR H H 8.910 0.03 1 97 13 13 THR HA H 4.440 0.03 1 98 13 13 THR HB H 4.830 0.03 1 99 13 13 THR HG2 H 1.410 0.03 1 100 13 13 THR CA C 60.740 0.5 1 101 13 13 THR CB C 71.080 0.5 1 102 13 13 THR CG2 C 22.000 0.5 1 103 13 13 THR N N 113.840 0.4 1 104 14 14 GLU H H 8.990 0.03 1 105 14 14 GLU HA H 3.960 0.03 1 106 14 14 GLU HB2 H 2.060 0.03 2 107 14 14 GLU HG2 H 2.370 0.03 2 108 14 14 GLU CA C 59.790 0.5 1 109 14 14 GLU CB C 29.320 0.5 1 110 14 14 GLU CG C 36.200 0.5 1 111 14 14 GLU N N 121.610 0.4 1 112 15 15 GLU H H 8.580 0.03 1 113 15 15 GLU HA H 4.050 0.03 1 114 15 15 GLU HB2 H 2.000 0.03 2 115 15 15 GLU HG2 H 2.350 0.03 2 116 15 15 GLU CA C 60.310 0.5 1 117 15 15 GLU CB C 29.150 0.5 1 118 15 15 GLU CG C 36.900 0.5 1 119 15 15 GLU N N 117.650 0.4 1 120 16 16 GLN H H 7.830 0.03 1 121 16 16 GLN HA H 3.810 0.03 1 122 16 16 GLN HB2 H 1.520 0.03 2 123 16 16 GLN HG2 H 2.230 0.03 2 124 16 16 GLN HG3 H 2.310 0.03 2 125 16 16 GLN CA C 58.740 0.5 1 126 16 16 GLN CB C 29.660 0.5 1 127 16 16 GLN CG C 35.000 0.5 1 128 16 16 GLN N N 119.600 0.4 1 129 17 17 LYS H H 8.380 0.03 1 130 17 17 LYS HA H 3.860 0.03 1 131 17 17 LYS HB2 H 1.990 0.03 2 132 17 17 LYS HB3 H 2.030 0.03 2 133 17 17 LYS HD2 H 1.770 0.03 2 134 17 17 LYS HE2 H 2.960 0.03 2 135 17 17 LYS HG2 H 1.450 0.03 2 136 17 17 LYS CA C 61.640 0.5 1 137 17 17 LYS CB C 32.030 0.5 1 138 17 17 LYS CD C 29.500 0.5 1 139 17 17 LYS CE C 41.900 0.5 1 140 17 17 LYS CG C 27.400 0.5 1 141 17 17 LYS N N 118.010 0.4 1 142 18 18 ASN H H 8.500 0.03 1 143 18 18 ASN HA H 4.550 0.03 1 144 18 18 ASN HB2 H 2.820 0.03 2 145 18 18 ASN HB3 H 2.970 0.03 2 146 18 18 ASN CA C 55.960 0.5 1 147 18 18 ASN CB C 37.850 0.5 1 148 18 18 ASN N N 117.470 0.4 1 149 19 19 GLU H H 8.020 0.03 1 150 19 19 GLU HA H 4.190 0.03 1 151 19 19 GLU HG2 H 2.230 0.03 2 152 19 19 GLU HG3 H 2.430 0.03 2 153 19 19 GLU CA C 59.540 0.5 1 154 19 19 GLU CB C 29.280 0.5 1 155 19 19 GLU CG C 36.230 0.5 1 156 19 19 GLU N N 123.320 0.4 1 157 20 20 PHE H H 8.500 0.03 1 158 20 20 PHE HA H 5.040 0.03 1 159 20 20 PHE HB2 H 3.520 0.03 2 160 20 20 PHE HB3 H 3.560 0.03 2 161 20 20 PHE HD1 H 7.170 0.03 3 162 20 20 PHE CA C 58.200 0.5 1 163 20 20 PHE CB C 37.410 0.5 1 164 20 20 PHE CD1 C 130.300 0.5 3 165 20 20 PHE N N 119.200 0.4 1 166 21 21 LYS H H 8.920 0.03 1 167 21 21 LYS HA H 3.960 0.03 1 168 21 21 LYS HB2 H 1.790 0.03 2 169 21 21 LYS HB3 H 2.010 0.03 2 170 21 21 LYS HD2 H 1.280 0.03 2 171 21 21 LYS HD3 H 1.380 0.03 2 172 21 21 LYS HE2 H 3.100 0.03 2 173 21 21 LYS HG2 H 0.690 0.03 2 174 21 21 LYS HG3 H 1.040 0.03 2 175 21 21 LYS CA C 58.950 0.5 1 176 21 21 LYS CB C 32.210 0.5 1 177 21 21 LYS CD C 27.700 0.5 1 178 21 21 LYS CE C 45.900 0.5 1 179 21 21 LYS CG C 24.600 0.5 1 180 21 21 LYS N N 121.780 0.4 1 181 22 22 ALA H H 7.890 0.03 1 182 22 22 ALA HA H 4.200 0.03 1 183 22 22 ALA HB H 1.550 0.03 1 184 22 22 ALA CA C 54.890 0.5 1 185 22 22 ALA CB C 17.840 0.5 1 186 22 22 ALA N N 120.140 0.4 1 187 23 23 ALA H H 7.490 0.03 1 188 23 23 ALA HA H 4.260 0.03 1 189 23 23 ALA HB H 1.790 0.03 1 190 23 23 ALA CA C 54.750 0.5 1 191 23 23 ALA CB C 18.720 0.5 1 192 23 23 ALA N N 118.830 0.4 1 193 24 24 PHE H H 8.390 0.03 1 194 24 24 PHE HA H 3.610 0.03 1 195 24 24 PHE HB2 H 2.810 0.03 2 196 24 24 PHE HB3 H 3.200 0.03 2 197 24 24 PHE CA C 62.240 0.5 1 198 24 24 PHE CB C 40.380 0.5 1 199 24 24 PHE N N 119.260 0.4 1 200 25 25 ASP H H 8.740 0.03 1 201 25 25 ASP HA H 4.370 0.03 1 202 25 25 ASP HB2 H 2.520 0.03 2 203 25 25 ASP HB3 H 2.760 0.03 2 204 25 25 ASP CA C 56.780 0.5 1 205 25 25 ASP CB C 40.280 0.5 1 206 25 25 ASP N N 115.840 0.4 1 207 26 26 ILE H H 7.270 0.03 1 208 26 26 ILE HA H 3.670 0.03 1 209 26 26 ILE HB H 1.820 0.03 1 210 26 26 ILE HD1 H 0.830 0.03 1 211 26 26 ILE HG12 H 1.180 0.03 1 212 26 26 ILE HG13 H 1.630 0.03 1 213 26 26 ILE HG2 H 0.440 0.03 1 214 26 26 ILE CA C 63.940 0.5 1 215 26 26 ILE CB C 37.530 0.5 1 216 26 26 ILE CD1 C 13.100 0.5 1 217 26 26 ILE CG1 C 28.550 0.5 1 218 26 26 ILE CG2 C 16.700 0.5 1 219 26 26 ILE N N 119.110 0.4 1 220 27 27 PHE HA H 4.350 0.03 1 221 27 27 PHE HB2 H 2.640 0.03 2 222 27 27 PHE HB3 H 3.080 0.03 2 223 27 27 PHE HE1 H 7.260 0.03 3 224 27 27 PHE CE1 C 132.100 0.5 3 225 28 28 VAL HA H 3.950 0.03 1 226 28 28 VAL HB H 1.950 0.03 1 227 28 28 VAL HG1 H 0.550 0.03 2 228 28 28 VAL HG2 H 0.680 0.03 2 229 28 28 VAL CA C 62.800 0.5 1 230 28 28 VAL CB C 31.800 0.5 1 231 28 28 VAL CG1 C 21.400 0.5 1 232 28 28 VAL CG2 C 21.400 0.5 1 233 29 29 LEU H H 7.680 0.03 1 234 29 29 LEU HA H 4.110 0.03 1 235 29 29 LEU HB2 H 1.610 0.03 2 236 29 29 LEU HB3 H 1.780 0.03 2 237 29 29 LEU HD1 H 0.900 0.03 2 238 29 29 LEU HD2 H 0.900 0.03 2 239 29 29 LEU HG H 1.610 0.03 1 240 29 29 LEU CA C 56.390 0.5 1 241 29 29 LEU CB C 40.990 0.5 1 242 29 29 LEU CD1 C 25.100 0.5 1 243 29 29 LEU CD2 C 23.800 0.5 1 244 29 29 LEU CG C 26.900 0.5 1 245 29 29 LEU N N 122.870 0.4 1 246 30 30 GLY H H 8.390 0.03 1 247 30 30 GLY HA2 H 3.850 0.03 2 248 30 30 GLY HA3 H 3.950 0.03 2 249 30 30 GLY CA C 45.430 0.5 1 250 30 30 GLY N N 108.480 0.4 1 251 31 31 ALA H H 7.800 0.03 1 252 31 31 ALA HA H 4.380 0.03 1 253 31 31 ALA HB H 1.500 0.03 1 254 31 31 ALA CA C 52.450 0.5 1 255 31 31 ALA CB C 19.480 0.5 1 256 31 31 ALA N N 123.880 0.4 1 257 32 32 GLU H H 8.820 0.03 1 258 32 32 GLU HA H 4.160 0.03 1 259 32 32 GLU HB2 H 2.080 0.03 2 260 32 32 GLU HG2 H 2.330 0.03 2 261 32 32 GLU CA C 58.390 0.5 1 262 32 32 GLU CB C 29.780 0.5 1 263 32 32 GLU CG C 36.300 0.5 1 264 32 32 GLU N N 123.250 0.4 1 265 33 33 ASP H H 8.260 0.03 1 266 33 33 ASP HA H 4.690 0.03 1 267 33 33 ASP HB2 H 2.710 0.03 2 268 33 33 ASP HB3 H 2.910 0.03 2 269 33 33 ASP CA C 53.570 0.5 1 270 33 33 ASP CB C 40.830 0.5 1 271 33 33 ASP N N 117.370 0.4 1 272 34 34 GLY H H 7.960 0.03 1 273 34 34 GLY HA2 H 3.980 0.03 2 274 34 34 GLY CA C 46.390 0.5 1 275 34 34 GLY N N 106.730 0.4 1 276 35 35 SER H H 7.770 0.03 1 277 35 35 SER HA H 5.040 0.03 1 278 35 35 SER HB2 H 4.740 0.03 2 279 35 35 SER CA C 57.440 0.5 1 280 35 35 SER CB C 65.880 0.5 1 281 35 35 SER N N 113.280 0.4 1 282 36 36 ILE H H 8.510 0.03 1 283 36 36 ILE HA H 4.380 0.03 1 284 36 36 ILE HB H 1.690 0.03 1 285 36 36 ILE HD1 H 0.490 0.03 1 286 36 36 ILE HG12 H 0.780 0.03 1 287 36 36 ILE HG13 H 1.310 0.03 1 288 36 36 ILE HG2 H 0.580 0.03 1 289 36 36 ILE CA C 59.800 0.5 1 290 36 36 ILE CB C 40.700 0.5 1 291 36 36 ILE CD1 C 14.500 0.5 1 292 36 36 ILE CG1 C 26.690 0.5 1 293 36 36 ILE CG2 C 17.100 0.5 1 294 36 36 ILE N N 117.450 0.4 1 295 38 38 THR HA H 3.770 0.03 1 296 38 38 THR HB H 4.260 0.03 1 297 38 38 THR HG2 H 1.150 0.03 1 298 38 38 THR CA C 65.900 0.5 1 299 38 38 THR CB C 67.800 0.5 1 300 38 38 THR CG2 C 22.900 0.5 1 301 39 39 LYS H H 8.070 0.03 1 302 39 39 LYS HA H 4.140 0.03 1 303 39 39 LYS HB2 H 1.840 0.03 2 304 39 39 LYS HD2 H 1.730 0.03 2 305 39 39 LYS HE2 H 3.040 0.03 2 306 39 39 LYS HG2 H 1.490 0.03 2 307 39 39 LYS CA C 58.800 0.5 1 308 39 39 LYS CB C 32.200 0.5 1 309 39 39 LYS CD C 29.110 0.5 1 310 39 39 LYS CE C 42.100 0.5 1 311 39 39 LYS CG C 25.100 0.5 1 312 39 39 LYS N N 120.500 0.4 1 313 40 40 GLU H H 7.650 0.03 1 314 40 40 GLU HA H 4.410 0.03 1 315 40 40 GLU HG2 H 2.310 0.03 2 316 40 40 GLU CA C 56.860 0.5 1 317 40 40 GLU CB C 29.870 0.5 1 318 40 40 GLU CG C 36.600 0.5 1 319 40 40 GLU N N 117.380 0.4 1 320 41 41 LEU H H 7.690 0.03 1 321 41 41 LEU HA H 3.860 0.03 1 322 41 41 LEU HB2 H 1.620 0.03 2 323 41 41 LEU HD1 H 0.890 0.03 2 324 41 41 LEU HD2 H 0.890 0.03 2 325 41 41 LEU HG H 1.760 0.03 1 326 41 41 LEU CA C 57.780 0.5 1 327 41 41 LEU CB C 42.280 0.5 1 328 41 41 LEU CD1 C 25.400 0.5 1 329 41 41 LEU CD2 C 24.400 0.5 1 330 41 41 LEU CG C 27.200 0.5 1 331 41 41 LEU N N 119.340 0.4 1 332 42 42 GLY H H 8.630 0.03 1 333 42 42 GLY HA2 H 3.540 0.03 2 334 42 42 GLY HA3 H 3.880 0.03 2 335 42 42 GLY CA C 47.830 0.5 1 336 42 42 GLY N N 106.480 0.4 1 337 43 43 LYS H H 7.350 0.03 1 338 43 43 LYS HA H 4.000 0.03 1 339 43 43 LYS HB2 H 1.840 0.03 2 340 43 43 LYS HD2 H 1.420 0.03 2 341 43 43 LYS HD3 H 1.590 0.03 2 342 43 43 LYS HE2 H 3.020 0.03 2 343 43 43 LYS CA C 59.590 0.5 1 344 43 43 LYS CB C 32.460 0.5 1 345 43 43 LYS CD C 29.800 0.5 1 346 43 43 LYS CE C 42.310 0.5 1 347 43 43 LYS CG C 25.400 0.5 1 348 43 43 LYS N N 121.040 0.4 1 349 44 44 VAL H H 7.510 0.03 1 350 44 44 VAL HA H 3.520 0.03 1 351 44 44 VAL HB H 1.990 0.03 1 352 44 44 VAL HG1 H 0.740 0.03 2 353 44 44 VAL HG2 H 0.680 0.03 2 354 44 44 VAL CA C 65.900 0.5 1 355 44 44 VAL CB C 31.580 0.5 1 356 44 44 VAL CG1 C 21.700 0.5 1 357 44 44 VAL CG2 C 22.400 0.5 1 358 44 44 VAL N N 120.040 0.4 1 359 45 45 MET H H 8.240 0.03 1 360 45 45 MET HA H 4.120 0.03 1 361 45 45 MET HB2 H 1.790 0.03 2 362 45 45 MET HG2 H 2.560 0.03 2 363 45 45 MET CA C 58.710 0.5 1 364 45 45 MET CB C 31.280 0.5 1 365 45 45 MET CG C 33.400 0.5 1 366 45 45 MET N N 116.180 0.4 1 367 46 46 ARG H H 7.940 0.03 1 368 46 46 ARG HA H 4.610 0.03 1 369 46 46 ARG HB2 H 1.940 0.03 2 370 46 46 ARG HD2 H 3.210 0.03 2 371 46 46 ARG HD3 H 3.290 0.03 2 372 46 46 ARG HG2 H 1.820 0.03 2 373 46 46 ARG CA C 59.170 0.5 1 374 46 46 ARG CB C 30.030 0.5 1 375 46 46 ARG CD C 43.500 0.5 1 376 46 46 ARG CG C 28.400 0.5 1 377 46 46 ARG N N 119.000 0.4 1 378 47 47 MET H H 8.000 0.03 1 379 47 47 MET HA H 4.290 0.03 1 380 47 47 MET HB2 H 2.500 0.03 2 381 47 47 MET HB3 H 2.770 0.03 2 382 47 47 MET HE H 2.240 0.03 1 383 47 47 MET HG2 H 2.910 0.03 2 384 47 47 MET CA C 59.020 0.5 1 385 47 47 MET CB C 32.550 0.5 1 386 47 47 MET CE C 17.300 0.5 1 387 47 47 MET CG C 32.510 0.5 1 388 47 47 MET N N 121.840 0.4 1 389 48 48 LEU H H 7.530 0.03 1 390 48 48 LEU HA H 4.560 0.03 1 391 48 48 LEU HB2 H 1.890 0.03 2 392 48 48 LEU HD1 H 1.120 0.03 2 393 48 48 LEU HD2 H 1.050 0.03 2 394 48 48 LEU HG H 1.980 0.03 1 395 48 48 LEU CA C 54.480 0.5 1 396 48 48 LEU CB C 42.100 0.5 1 397 48 48 LEU CD1 C 22.700 0.5 1 398 48 48 LEU CD2 C 26.810 0.5 1 399 48 48 LEU CG C 26.700 0.5 1 400 48 48 LEU N N 117.800 0.4 1 401 49 49 GLY H H 7.870 0.03 1 402 49 49 GLY HA2 H 3.850 0.03 2 403 49 49 GLY HA3 H 4.260 0.03 2 404 49 49 GLY CA C 45.880 0.5 1 405 49 49 GLY N N 107.320 0.4 1 406 50 50 GLN H H 8.170 0.03 1 407 50 50 GLN HA H 4.520 0.03 1 408 50 50 GLN HG2 H 2.200 0.03 2 409 50 50 GLN CA C 54.070 0.5 1 410 50 50 GLN CB C 30.920 0.5 1 411 50 50 GLN CG C 33.400 0.5 1 412 50 50 GLN N N 118.810 0.4 1 413 51 51 ASN H H 8.690 0.03 1 414 51 51 ASN HA H 4.740 0.03 1 415 51 51 ASN HB2 H 2.860 0.03 2 416 51 51 ASN HB3 H 3.310 0.03 2 417 51 51 ASN CA C 51.310 0.5 1 418 51 51 ASN CB C 39.490 0.5 1 419 51 51 ASN N N 116.870 0.4 1 420 52 52 PRO HA H 4.760 0.03 1 421 52 52 PRO HB2 H 1.970 0.03 2 422 52 52 PRO HB3 H 2.230 0.03 2 423 52 52 PRO HD2 H 3.340 0.03 2 424 52 52 PRO HD3 H 3.600 0.03 2 425 52 52 PRO HG2 H 1.910 0.03 2 426 52 52 PRO CA C 62.500 0.5 1 427 52 52 PRO CB C 31.600 0.5 1 428 52 52 PRO CD C 49.780 0.5 1 429 52 52 PRO CG C 27.500 0.5 1 430 53 53 THR H H 8.800 0.03 1 431 53 53 THR HA H 4.920 0.03 1 432 53 53 THR HB H 4.810 0.03 1 433 53 53 THR HG2 H 1.410 0.03 1 434 53 53 THR CA C 60.500 0.5 1 435 53 53 THR CB C 68.100 0.5 1 436 53 53 THR CG2 C 22.500 0.5 1 437 53 53 THR N N 114.400 0.4 1 438 54 54 PRO HA H 4.190 0.03 1 439 54 54 PRO HB2 H 2.010 0.03 2 440 54 54 PRO HB3 H 2.420 0.03 2 441 54 54 PRO HD2 H 3.940 0.03 2 442 54 54 PRO HG2 H 1.940 0.03 2 443 54 54 PRO HG3 H 2.270 0.03 2 444 54 54 PRO CA C 66.300 0.5 1 445 54 54 PRO CB C 31.700 0.5 1 446 54 54 PRO CD C 50.200 0.5 1 447 54 54 PRO CG C 28.400 0.5 1 448 55 55 GLU H H 8.800 0.03 1 449 55 55 GLU HA H 4.040 0.03 1 450 55 55 GLU HB2 H 2.000 0.03 2 451 55 55 GLU HG2 H 2.480 0.03 2 452 55 55 GLU HG3 H 2.270 0.03 2 453 55 55 GLU CA C 60.470 0.5 1 454 55 55 GLU CB C 28.840 0.5 1 455 55 55 GLU CG C 37.200 0.5 1 456 55 55 GLU N N 117.470 0.4 1 457 56 56 GLU H H 7.790 0.03 1 458 56 56 GLU HA H 4.030 0.03 1 459 56 56 GLU HB2 H 1.890 0.03 2 460 56 56 GLU HG2 H 2.330 0.03 2 461 56 56 GLU CA C 58.850 0.5 1 462 56 56 GLU CB C 30.020 0.5 1 463 56 56 GLU CG C 37.200 0.5 1 464 56 56 GLU N N 121.600 0.4 1 465 57 57 LEU H H 8.550 0.03 1 466 57 57 LEU HA H 4.056 0.03 1 467 57 57 LEU HB2 H 1.600 0.03 2 468 57 57 LEU HB3 H 1.690 0.03 2 469 57 57 LEU HD1 H 0.840 0.03 2 470 57 57 LEU HD2 H 0.840 0.03 2 471 57 57 LEU HG H 1.600 0.03 1 472 57 57 LEU CA C 57.870 0.5 1 473 57 57 LEU CB C 42.080 0.5 1 474 57 57 LEU CD1 C 25.000 0.5 1 475 57 57 LEU CD2 C 24.700 0.5 1 476 57 57 LEU CG C 27.100 0.5 1 477 57 57 LEU N N 120.440 0.4 1 478 58 58 GLN H H 7.910 0.03 1 479 58 58 GLN HA H 3.840 0.03 1 480 58 58 GLN HB2 H 2.120 0.03 2 481 58 58 GLN HB3 H 2.160 0.03 2 482 58 58 GLN HG2 H 2.420 0.03 2 483 58 58 GLN CA C 58.420 0.5 1 484 58 58 GLN CB C 28.300 0.5 1 485 58 58 GLN CG C 33.600 0.5 1 486 58 58 GLN N N 117.520 0.4 1 487 59 59 GLU H H 7.690 0.03 1 488 59 59 GLU HA H 4.070 0.03 1 489 59 59 GLU HG2 H 2.230 0.03 2 490 59 59 GLU HG3 H 2.440 0.03 2 491 59 59 GLU CA C 59.370 0.5 1 492 59 59 GLU CB C 29.490 0.5 1 493 59 59 GLU CG C 36.300 0.5 1 494 59 59 GLU N N 118.290 0.4 1 495 60 60 MET H H 7.880 0.03 1 496 60 60 MET HA H 4.020 0.03 1 497 60 60 MET CA C 59.000 0.5 1 498 60 60 MET CB C 29.500 0.5 1 499 60 60 MET N N 117.700 0.4 1 500 61 61 ILE HA H 3.340 0.03 1 501 61 61 ILE HB H 1.900 0.03 1 502 61 61 ILE HD1 H 0.800 0.03 1 503 61 61 ILE HG12 H 0.780 0.03 1 504 61 61 ILE HG2 H 0.870 0.03 1 505 61 61 ILE CA C 66.100 0.5 1 506 61 61 ILE CB C 38.000 0.5 1 507 61 61 ILE CD1 C 14.200 0.5 1 508 61 61 ILE CG1 C 30.400 0.5 1 509 61 61 ILE CG2 C 17.100 0.5 1 510 62 62 ASP H H 8.190 0.03 1 511 62 62 ASP HA H 4.340 0.03 1 512 62 62 ASP HB2 H 2.720 0.03 2 513 62 62 ASP CA C 57.200 0.5 1 514 62 62 ASP CB C 40.400 0.5 1 515 62 62 ASP N N 118.400 0.4 1 516 63 63 GLU H H 7.550 0.03 1 517 63 63 GLU HA H 4.210 0.03 1 518 63 63 GLU HB2 H 2.040 0.03 2 519 63 63 GLU HG2 H 2.260 0.03 2 520 63 63 GLU HG3 H 2.430 0.03 2 521 63 63 GLU N N 116.100 0.4 1 522 64 64 VAL H H 7.980 0.03 1 523 64 64 VAL HA H 4.240 0.03 1 524 64 64 VAL HB H 2.270 0.03 1 525 64 64 VAL HG1 H 0.910 0.03 2 526 64 64 VAL HG2 H 0.910 0.03 2 527 64 64 VAL CA C 63.200 0.5 1 528 64 64 VAL CB C 32.200 0.5 1 529 64 64 VAL CG1 C 21.400 0.5 1 530 64 64 VAL CG2 C 21.400 0.5 1 531 65 65 ASP H H 8.150 0.03 1 532 65 65 ASP HA H 4.980 0.03 1 533 65 65 ASP HB2 H 2.220 0.03 2 534 65 65 ASP HB3 H 2.930 0.03 2 535 65 65 ASP CA C 52.930 0.5 1 536 65 65 ASP CB C 39.170 0.5 1 537 65 65 ASP N N 120.560 0.4 1 538 66 66 GLU H H 8.310 0.03 1 539 66 66 GLU HA H 4.070 0.03 1 540 66 66 GLU HB2 H 2.160 0.03 2 541 66 66 GLU HG2 H 2.400 0.03 2 542 66 66 GLU CA C 59.120 0.5 1 543 66 66 GLU CB C 30.460 0.5 1 544 66 66 GLU CG C 36.400 0.5 1 545 66 66 GLU N N 126.860 0.4 1 546 67 67 ASP H H 8.030 0.03 1 547 67 67 ASP HA H 4.660 0.03 1 548 67 67 ASP HB2 H 2.770 0.03 2 549 67 67 ASP HB3 H 3.120 0.03 2 550 67 67 ASP CA C 52.560 0.5 1 551 67 67 ASP CB C 39.850 0.5 1 552 67 67 ASP N N 114.080 0.4 1 553 68 68 GLY H H 7.910 0.03 1 554 68 68 GLY HA2 H 3.860 0.03 2 555 68 68 GLY CA C 47.100 0.5 1 556 68 68 GLY N N 109.200 0.4 1 557 69 69 SER H H 8.450 0.03 1 558 69 69 SER HA H 4.230 0.03 1 559 69 69 SER HB2 H 3.950 0.03 2 560 69 69 SER CA C 60.130 0.5 1 561 69 69 SER CB C 64.800 0.5 1 562 69 69 SER N N 115.850 0.4 1 563 70 70 GLY H H 10.770 0.03 1 564 70 70 GLY HA2 H 3.620 0.03 2 565 70 70 GLY HA3 H 4.230 0.03 2 566 70 70 GLY CA C 45.790 0.5 1 567 70 70 GLY N N 116.310 0.4 1 568 71 71 THR H H 7.850 0.03 1 569 71 71 THR HA H 4.990 0.03 1 570 71 71 THR HB H 4.020 0.03 1 571 71 71 THR HG2 H 1.100 0.03 1 572 71 71 THR CA C 58.420 0.5 1 573 71 71 THR CB C 72.980 0.5 1 574 71 71 THR CG2 C 22.600 0.5 1 575 71 71 THR N N 109.830 0.4 1 576 72 72 VAL H H 9.700 0.03 1 577 72 72 VAL HA H 5.140 0.03 1 578 72 72 VAL HB H 2.200 0.03 1 579 72 72 VAL HG1 H 0.880 0.03 2 580 72 72 VAL HG2 H 1.180 0.03 2 581 72 72 VAL CA C 61.020 0.5 1 582 72 72 VAL CB C 33.720 0.5 1 583 72 72 VAL CG1 C 21.800 0.5 1 584 72 72 VAL CG2 C 21.800 0.5 1 585 72 72 VAL N N 126.380 0.4 1 586 73 73 ASP H H 8.650 0.03 1 587 73 73 ASP HA H 5.190 0.03 1 588 73 73 ASP HB2 H 2.690 0.03 2 589 73 73 ASP HB3 H 3.270 0.03 2 590 73 73 ASP CA C 52.550 0.5 1 591 73 73 ASP CB C 41.880 0.5 1 592 73 73 ASP N N 127.420 0.4 1 593 74 74 PHE H H 8.860 0.03 1 594 74 74 PHE HA H 3.910 0.03 1 595 74 74 PHE HB2 H 3.090 0.03 2 596 74 74 PHE HB3 H 3.120 0.03 2 597 74 74 PHE CA C 61.450 0.5 1 598 74 74 PHE CB C 38.550 0.5 1 599 74 74 PHE N N 118.600 0.4 1 600 75 75 ASP H H 7.800 0.03 1 601 75 75 ASP HA H 4.200 0.03 1 602 75 75 ASP HB2 H 2.615 0.03 2 603 75 75 ASP HB3 H 2.720 0.03 2 604 75 75 ASP CA C 57.890 0.5 1 605 75 75 ASP CB C 40.530 0.5 1 606 75 75 ASP N N 117.440 0.4 1 607 76 76 GLU H H 8.220 0.03 1 608 76 76 GLU HA H 4.000 0.03 1 609 76 76 GLU HB2 H 1.980 0.03 2 610 76 76 GLU HG2 H 2.510 0.03 2 611 76 76 GLU CA C 58.500 0.5 1 612 76 76 GLU CB C 30.040 0.5 1 613 76 76 GLU CG C 36.600 0.5 1 614 76 76 GLU N N 120.520 0.4 1 615 77 77 PHE H H 8.840 0.03 1 616 77 77 PHE HA H 3.910 0.03 1 617 77 77 PHE HB2 H 3.090 0.03 2 618 77 77 PHE HB3 H 3.120 0.03 2 619 77 77 PHE CA C 61.060 0.5 1 620 77 77 PHE CB C 39.800 0.5 1 621 77 77 PHE N N 121.680 0.4 1 622 78 78 LEU H H 8.100 0.03 1 623 78 78 LEU HA H 3.380 0.03 1 624 78 78 LEU HB2 H 1.820 0.03 2 625 78 78 LEU HD1 H 0.650 0.03 2 626 78 78 LEU HD2 H 0.710 0.03 2 627 78 78 LEU HG H 1.090 0.03 1 628 78 78 LEU CA C 58.090 0.5 1 629 78 78 LEU CB C 41.550 0.5 1 630 78 78 LEU CD1 C 26.000 0.5 1 631 78 78 LEU CD2 C 23.900 0.5 1 632 78 78 LEU CG C 25.800 0.5 1 633 78 78 LEU N N 118.620 0.4 1 634 79 79 VAL H H 7.100 0.03 1 635 79 79 VAL HA H 3.270 0.03 1 636 79 79 VAL HB H 2.230 0.03 1 637 79 79 VAL HG1 H 0.670 0.03 2 638 79 79 VAL HG2 H 1.030 0.03 2 639 79 79 VAL CA C 66.620 0.5 1 640 79 79 VAL CB C 30.930 0.5 1 641 79 79 VAL CG1 C 21.820 0.5 1 642 79 79 VAL CG2 C 23.430 0.5 1 643 79 79 VAL N N 117.820 0.4 1 644 80 80 MET H H 7.740 0.03 1 645 80 80 MET HA H 3.640 0.03 1 646 80 80 MET HB2 H 2.120 0.03 2 647 80 80 MET HG2 H 2.510 0.03 2 648 80 80 MET CA C 59.180 0.5 1 649 80 80 MET CB C 32.660 0.5 1 650 80 80 MET CG C 32.300 0.5 1 651 80 80 MET N N 119.170 0.4 1 652 81 81 MET H H 8.030 0.03 1 653 81 81 MET HA H 4.030 0.03 1 654 81 81 MET HB2 H 1.060 0.03 2 655 81 81 MET HG2 H 1.260 0.03 2 656 81 81 MET CA C 56.170 0.5 1 657 81 81 MET CB C 30.790 0.5 1 658 81 81 MET CG C 31.500 0.5 1 659 81 81 MET N N 117.540 0.4 1 660 82 82 VAL H H 8.100 0.03 1 661 82 82 VAL HA H 3.960 0.03 1 662 82 82 VAL HB H 2.210 0.03 1 663 82 82 VAL HG1 H 1.000 0.03 2 664 82 82 VAL HG2 H 1.140 0.03 2 665 82 82 VAL CA C 65.780 0.5 1 666 82 82 VAL CB C 31.220 0.5 1 667 82 82 VAL CG1 C 21.800 0.5 1 668 82 82 VAL CG2 C 21.800 0.5 1 669 82 82 VAL N N 117.380 0.4 1 670 83 83 ARG H H 8.100 0.03 1 671 83 83 ARG HA H 3.850 0.03 1 672 83 83 ARG HB2 H 1.530 0.03 2 673 83 83 ARG HB3 H 1.700 0.03 2 674 83 83 ARG HD2 H 2.750 0.03 2 675 83 83 ARG HG2 H 1.190 0.03 2 676 83 83 ARG HG3 H 1.450 0.03 2 677 83 83 ARG CA C 59.040 0.5 1 678 83 83 ARG CB C 30.060 0.5 1 679 83 83 ARG CD C 43.400 0.5 1 680 83 83 ARG CG C 27.600 0.5 1 681 83 83 ARG N N 120.600 0.4 1 682 84 84 SER H H 7.740 0.03 1 683 84 84 SER HA H 4.290 0.03 1 684 84 84 SER HB2 H 3.860 0.03 2 685 84 84 SER CA C 60.320 0.5 1 686 84 84 SER CB C 63.640 0.5 1 687 84 84 SER N N 113.520 0.4 1 688 85 85 MET H H 7.680 0.03 1 689 85 85 MET HA H 4.320 0.03 1 690 85 85 MET HB2 H 2.600 0.03 2 691 85 85 MET HG2 H 2.790 0.03 2 692 85 85 MET CA C 57.030 0.5 1 693 85 85 MET CB C 33.630 0.5 1 694 85 85 MET CG C 32.140 0.5 1 695 85 85 MET N N 120.010 0.4 1 696 86 86 LYS H H 7.830 0.03 1 697 86 86 LYS HA H 4.320 0.03 1 698 86 86 LYS HB2 H 1.910 0.03 2 699 86 86 LYS HD2 H 1.720 0.03 2 700 86 86 LYS HE2 H 3.020 0.03 2 701 86 86 LYS HG2 H 1.500 0.03 2 702 86 86 LYS CA C 56.730 0.5 1 703 86 86 LYS CB C 33.020 0.5 1 704 86 86 LYS CD C 29.100 0.5 1 705 86 86 LYS CE C 42.100 0.5 1 706 86 86 LYS CG C 24.600 0.5 1 707 86 86 LYS N N 120.690 0.4 1 708 87 87 ASP H H 8.260 0.03 1 709 87 87 ASP HA H 4.680 0.03 1 710 87 87 ASP HB2 H 2.740 0.03 2 711 87 87 ASP CA C 54.400 0.5 1 712 87 87 ASP CB C 41.250 0.5 1 713 87 87 ASP N N 121.660 0.4 1 714 88 88 ASP H H 8.320 0.03 1 715 88 88 ASP HA H 4.680 0.03 1 716 88 88 ASP HB2 H 2.730 0.03 2 717 88 88 ASP CA C 54.490 0.5 1 718 88 88 ASP CB C 41.190 0.5 1 719 88 88 ASP N N 122.360 0.4 1 720 89 89 SER H H 8.330 0.03 1 721 89 89 SER HA H 4.430 0.03 1 722 89 89 SER HB2 H 3.950 0.03 2 723 89 89 SER CA C 59.020 0.5 1 724 89 89 SER CB C 63.750 0.5 1 725 89 89 SER N N 116.200 0.4 1 726 90 90 LYS H H 8.220 0.03 1 727 90 90 LYS HA H 4.380 0.03 1 728 90 90 LYS HB2 H 1.870 0.03 2 729 90 90 LYS HD2 H 1.720 0.03 2 730 90 90 LYS HE2 H 3.030 0.03 2 731 90 90 LYS HG2 H 1.470 0.03 2 732 90 90 LYS CA C 56.530 0.5 1 733 90 90 LYS CB C 32.980 0.5 1 734 90 90 LYS CD C 29.000 0.5 1 735 90 90 LYS CE C 42.200 0.5 1 736 90 90 LYS CG C 24.780 0.5 1 737 90 90 LYS N N 122.870 0.4 1 738 91 91 GLY H H 8.350 0.03 1 739 91 91 GLY HA2 H 4.000 0.03 2 740 91 91 GLY CA C 45.120 0.5 1 741 91 91 GLY N N 109.630 0.4 1 742 92 92 LYS H H 8.310 0.03 1 743 92 92 LYS HA H 4.450 0.03 1 744 92 92 LYS HB2 H 1.720 0.03 2 745 92 92 LYS HB3 H 1.800 0.03 2 746 92 92 LYS HD2 H 1.610 0.03 2 747 92 92 LYS HE2 H 2.990 0.03 2 748 92 92 LYS HG2 H 1.480 0.03 2 749 92 92 LYS CA C 56.200 0.5 1 750 92 92 LYS CB C 33.940 0.5 1 751 92 92 LYS CD C 29.300 0.5 1 752 92 92 LYS CE C 42.200 0.5 1 753 92 92 LYS CG C 25.300 0.5 1 754 92 92 LYS N N 120.790 0.4 1 755 93 93 SER H H 8.740 0.03 1 756 93 93 SER HA H 4.510 0.03 1 757 93 93 SER HB2 H 4.070 0.03 2 758 93 93 SER HB3 H 4.320 0.03 2 759 93 93 SER CA C 57.920 0.5 1 760 93 93 SER CB C 64.920 0.5 1 761 93 93 SER N N 117.760 0.4 1 762 94 94 GLU H H 8.930 0.03 1 763 94 94 GLU HA H 4.000 0.03 1 764 94 94 GLU HB2 H 2.120 0.03 2 765 94 94 GLU HG2 H 2.400 0.03 2 766 94 94 GLU CA C 60.090 0.5 1 767 94 94 GLU CB C 29.220 0.5 1 768 94 94 GLU CG C 36.900 0.5 1 769 94 94 GLU N N 122.300 0.4 1 770 95 95 GLU H H 8.640 0.03 1 771 95 95 GLU HA H 4.130 0.03 1 772 95 95 GLU HB2 H 2.090 0.03 2 773 95 95 GLU HG2 H 2.370 0.03 2 774 95 95 GLU CA C 59.810 0.5 1 775 95 95 GLU CB C 29.350 0.5 1 776 95 95 GLU CG C 36.670 0.5 1 777 95 95 GLU N N 119.660 0.4 1 778 96 96 GLU H H 7.970 0.03 1 779 96 96 GLU HA H 4.250 0.03 1 780 96 96 GLU HB2 H 2.090 0.03 2 781 96 96 GLU HG2 H 2.400 0.03 2 782 96 96 GLU CA C 59.250 0.5 1 783 96 96 GLU CB C 30.060 0.5 1 784 96 96 GLU CG C 37.100 0.5 1 785 96 96 GLU N N 120.170 0.4 1 786 97 97 LEU H H 8.540 0.03 1 787 97 97 LEU HA H 4.390 0.03 1 788 97 97 LEU HB2 H 1.430 0.03 2 789 97 97 LEU HB3 H 2.170 0.03 2 790 97 97 LEU HD1 H 0.760 0.03 2 791 97 97 LEU HD2 H 0.760 0.03 2 792 97 97 LEU HG H 0.770 0.03 1 793 97 97 LEU CA C 58.210 0.5 1 794 97 97 LEU CB C 42.100 0.5 1 795 97 97 LEU CD1 C 23.500 0.5 1 796 97 97 LEU CD2 C 23.500 0.5 1 797 97 97 LEU CG C 26.200 0.5 1 798 97 97 LEU N N 119.340 0.4 1 799 98 98 SER H H 8.920 0.03 1 800 98 98 SER HA H 4.520 0.03 1 801 98 98 SER HB2 H 4.270 0.03 2 802 98 98 SER CA C 61.600 0.5 1 803 98 98 SER CB C 62.600 0.5 1 804 98 98 SER N N 118.720 0.4 1 805 99 99 ASP H H 8.170 0.03 1 806 99 99 ASP HA H 4.520 0.03 1 807 99 99 ASP HB2 H 2.740 0.03 2 808 99 99 ASP HB3 H 2.950 0.03 2 809 99 99 ASP CA C 57.580 0.5 1 810 99 99 ASP CB C 40.320 0.5 1 811 99 99 ASP N N 122.800 0.4 1 812 100 100 LEU H H 8.260 0.03 1 813 100 100 LEU HA H 4.280 0.03 1 814 100 100 LEU HB2 H 2.040 0.03 2 815 100 100 LEU HB3 H 2.300 0.03 2 816 100 100 LEU HD1 H 1.190 0.03 2 817 100 100 LEU HD2 H 1.170 0.03 2 818 100 100 LEU HG H 2.150 0.03 1 819 100 100 LEU CA C 58.040 0.5 1 820 100 100 LEU CB C 43.730 0.5 1 821 100 100 LEU CD1 C 24.500 0.5 1 822 100 100 LEU CD2 C 23.800 0.5 1 823 100 100 LEU CG C 27.400 0.5 1 824 100 100 LEU N N 120.100 0.4 1 825 101 101 PHE H H 8.030 0.03 1 826 101 101 PHE HA H 3.100 0.03 1 827 101 101 PHE HB2 H 2.400 0.03 2 828 101 101 PHE HB3 H 3.210 0.03 2 829 101 101 PHE HD1 H 6.280 0.03 3 830 101 101 PHE HE1 H 6.920 0.03 3 831 101 101 PHE CA C 62.140 0.5 1 832 101 101 PHE CB C 39.170 0.5 1 833 101 101 PHE CD1 C 131.900 0.5 3 834 101 101 PHE N N 119.680 0.4 1 835 102 102 ARG H H 7.870 0.03 1 836 102 102 ARG HA H 3.960 0.03 1 837 102 102 ARG HB2 H 1.950 0.03 2 838 102 102 ARG HD2 H 3.270 0.03 2 839 102 102 ARG HG2 H 1.750 0.03 2 840 102 102 ARG CA C 58.870 0.5 1 841 102 102 ARG CB C 30.190 0.5 1 842 102 102 ARG CD C 43.300 0.5 1 843 102 102 ARG CG C 28.200 0.5 1 844 102 102 ARG N N 114.450 0.4 1 845 103 103 MET H H 7.770 0.03 1 846 103 103 MET HA H 3.930 0.03 1 847 103 103 MET HB2 H 2.010 0.03 2 848 103 103 MET HE H 2.080 0.03 1 849 103 103 MET HG2 H 2.230 0.03 2 850 103 103 MET CA C 58.200 0.5 1 851 103 103 MET CB C 32.700 0.5 1 852 103 103 MET CE C 16.900 0.5 1 853 103 103 MET CG C 32.700 0.5 1 854 103 103 MET N N 117.200 0.4 1 855 104 104 PHE H H 7.460 0.03 1 856 104 104 PHE HA H 4.470 0.03 1 857 104 104 PHE HB2 H 2.500 0.03 2 858 104 104 PHE HB3 H 3.020 0.03 2 859 104 104 PHE HE1 H 7.460 0.03 3 860 104 104 PHE CA C 59.530 0.5 1 861 104 104 PHE CB C 39.240 0.5 1 862 104 104 PHE CE1 C 131.900 0.5 3 863 104 104 PHE N N 115.020 0.4 1 864 105 105 ASP H H 7.650 0.03 1 865 105 105 ASP HA H 4.520 0.03 1 866 105 105 ASP HB2 H 1.630 0.03 2 867 105 105 ASP HB3 H 2.500 0.03 2 868 105 105 ASP CA C 52.480 0.5 1 869 105 105 ASP CB C 37.860 0.5 1 870 105 105 ASP N N 120.250 0.4 1 871 106 106 LYS H H 7.570 0.03 1 872 106 106 LYS HA H 3.980 0.03 1 873 106 106 LYS HB2 H 1.940 0.03 2 874 106 106 LYS HD2 H 1.770 0.03 2 875 106 106 LYS HE2 H 3.110 0.03 2 876 106 106 LYS HG2 H 1.600 0.03 2 877 106 106 LYS CA C 58.490 0.5 1 878 106 106 LYS CB C 32.740 0.5 1 879 106 106 LYS CD C 28.500 0.5 1 880 106 106 LYS CE C 42.400 0.5 1 881 106 106 LYS CG C 24.600 0.5 1 882 106 106 LYS N N 125.600 0.4 1 883 107 107 ASN H H 7.960 0.03 1 884 107 107 ASN HA H 4.730 0.03 1 885 107 107 ASN HB2 H 2.860 0.03 2 886 107 107 ASN HB3 H 3.310 0.03 2 887 107 107 ASN CA C 51.640 0.5 1 888 107 107 ASN CB C 36.750 0.5 1 889 107 107 ASN N N 113.370 0.4 1 890 108 108 ALA H H 7.850 0.03 1 891 108 108 ALA HA H 4.020 0.03 1 892 108 108 ALA HB H 1.370 0.03 1 893 108 108 ALA CA C 53.110 0.5 1 894 108 108 ALA CB C 16.960 0.5 1 895 108 108 ALA N N 121.770 0.4 1 896 109 109 ASP H H 8.460 0.03 1 897 109 109 ASP HA H 4.690 0.03 1 898 109 109 ASP HB2 H 2.470 0.03 2 899 109 109 ASP HB3 H 3.210 0.03 2 900 109 109 ASP CA C 53.170 0.5 1 901 109 109 ASP CB C 41.030 0.5 1 902 109 109 ASP N N 117.810 0.4 1 903 110 110 GLY H H 10.330 0.03 1 904 110 110 GLY HA2 H 3.440 0.03 2 905 110 110 GLY HA3 H 4.030 0.03 2 906 110 110 GLY CA C 45.110 0.5 1 907 110 110 GLY N N 112.040 0.4 1 908 111 111 TYR H H 8.000 0.03 1 909 111 111 TYR HA H 5.280 0.03 1 910 111 111 TYR HB2 H 2.560 0.03 2 911 111 111 TYR HB3 H 2.720 0.03 2 912 111 111 TYR HD1 H 6.730 0.03 3 913 111 111 TYR HE2 H 6.850 0.03 3 914 111 111 TYR CA C 55.990 0.5 1 915 111 111 TYR CB C 43.060 0.5 1 916 111 111 TYR CD1 C 134.000 0.5 3 917 111 111 TYR CE2 C 118.100 0.5 3 918 111 111 TYR N N 115.860 0.4 1 919 112 112 ILE H H 9.870 0.03 1 920 112 112 ILE HA H 4.890 0.03 1 921 112 112 ILE HB H 1.850 0.03 1 922 112 112 ILE HD1 H 0.000 0.03 1 923 112 112 ILE HG12 H 0.480 0.03 1 924 112 112 ILE HG13 H 0.760 0.03 1 925 112 112 ILE HG2 H 0.880 0.03 1 926 112 112 ILE CA C 59.620 0.5 1 927 112 112 ILE CB C 38.080 0.5 1 928 112 112 ILE CD1 C 11.900 0.5 1 929 112 112 ILE CG1 C 27.000 0.5 1 930 112 112 ILE CG2 C 17.030 0.5 1 931 112 112 ILE N N 126.120 0.4 1 932 113 113 ASP H H 8.850 0.03 1 933 113 113 ASP HA H 4.910 0.03 1 934 113 113 ASP HB2 H 2.500 0.03 2 935 113 113 ASP HB3 H 3.360 0.03 2 936 113 113 ASP CA C 51.920 0.5 1 937 113 113 ASP CB C 42.040 0.5 1 938 113 113 ASP N N 128.330 0.4 1 939 114 114 LEU H H 8.500 0.03 1 940 114 114 LEU HA H 4.000 0.03 1 941 114 114 LEU HB2 H 1.730 0.03 2 942 114 114 LEU HD1 H 0.970 0.03 2 943 114 114 LEU HD2 H 0.970 0.03 2 944 114 114 LEU HG H 1.730 0.03 1 945 114 114 LEU CA C 59.070 0.5 1 946 114 114 LEU CB C 42.200 0.5 1 947 114 114 LEU CD1 C 25.400 0.5 1 948 114 114 LEU CD2 C 24.500 0.5 1 949 114 114 LEU CG C 27.500 0.5 1 950 114 114 LEU N N 118.190 0.4 1 951 115 115 ASP H H 7.890 0.03 1 952 115 115 ASP HA H 4.390 0.03 1 953 115 115 ASP HB2 H 2.670 0.03 2 954 115 115 ASP HB3 H 2.820 0.03 2 955 115 115 ASP CA C 57.710 0.5 1 956 115 115 ASP CB C 40.660 0.5 1 957 115 115 ASP N N 117.950 0.4 1 958 116 116 GLU H H 8.530 0.03 1 959 116 116 GLU HA H 4.090 0.03 1 960 116 116 GLU HB2 H 2.320 0.03 2 961 116 116 GLU HB3 H 2.450 0.03 2 962 116 116 GLU HG2 H 2.870 0.03 2 963 116 116 GLU CA C 58.820 0.5 1 964 116 116 GLU CB C 29.800 0.5 1 965 116 116 GLU CG C 37.500 0.5 1 966 116 116 GLU N N 121.220 0.4 1 967 117 117 LEU H H 8.870 0.03 1 968 117 117 LEU HA H 4.020 0.03 1 969 117 117 LEU HB2 H 1.890 0.03 2 970 117 117 LEU HD1 H 0.900 0.03 2 971 117 117 LEU HD2 H 0.900 0.03 2 972 117 117 LEU HG H 1.640 0.03 1 973 117 117 LEU CA C 57.900 0.5 1 974 117 117 LEU CB C 42.310 0.5 1 975 117 117 LEU CD1 C 24.200 0.5 1 976 117 117 LEU CD2 C 24.200 0.5 1 977 117 117 LEU CG C 26.200 0.5 1 978 117 117 LEU N N 122.490 0.4 1 979 118 118 LYS H H 8.160 0.03 1 980 118 118 LYS HA H 3.840 0.03 1 981 118 118 LYS HB2 H 2.040 0.03 2 982 118 118 LYS HD2 H 1.750 0.03 2 983 118 118 LYS HE2 H 2.920 0.03 2 984 118 118 LYS HG2 H 1.360 0.03 2 985 118 118 LYS HG3 H 1.670 0.03 2 986 118 118 LYS CA C 60.690 0.5 1 987 118 118 LYS CB C 32.510 0.5 1 988 118 118 LYS CD C 29.800 0.5 1 989 118 118 LYS CE C 45.300 0.5 1 990 118 118 LYS CG C 26.300 0.5 1 991 118 118 LYS N N 117.820 0.4 1 992 119 119 ILE H H 7.610 0.03 1 993 119 119 ILE HA H 3.810 0.03 1 994 119 119 ILE HB H 2.050 0.03 1 995 119 119 ILE HD1 H 0.940 0.03 1 996 119 119 ILE HG12 H 1.300 0.03 1 997 119 119 ILE HG13 H 1.810 0.03 1 998 119 119 ILE HG2 H 1.080 0.03 1 999 119 119 ILE CA C 64.560 0.5 1 1000 119 119 ILE CB C 37.990 0.5 1 1001 119 119 ILE CD1 C 13.100 0.5 1 1002 119 119 ILE CG1 C 29.100 0.5 1 1003 119 119 ILE CG2 C 17.500 0.5 1 1004 119 119 ILE N N 118.450 0.4 1 1005 120 120 MET H H 7.750 0.03 1 1006 120 120 MET HA H 3.600 0.03 1 1007 120 120 MET HB2 H 1.560 0.03 2 1008 120 120 MET HE H 1.950 0.03 1 1009 120 120 MET HG2 H 1.760 0.03 2 1010 120 120 MET HG3 H 2.020 0.03 2 1011 120 120 MET CA C 58.570 0.5 1 1012 120 120 MET CB C 32.350 0.5 1 1013 120 120 MET CE C 17.400 0.5 1 1014 120 120 MET CG C 32.350 0.5 1 1015 120 120 MET N N 120.220 0.4 1 1016 121 121 LEU H H 8.310 0.03 1 1017 121 121 LEU HA H 4.110 0.03 1 1018 121 121 LEU HB2 H 1.870 0.03 2 1019 121 121 LEU HD1 H 0.890 0.03 2 1020 121 121 LEU HD2 H 0.890 0.03 2 1021 121 121 LEU HG H 1.510 0.03 1 1022 121 121 LEU CA C 57.200 0.5 1 1023 121 121 LEU CB C 41.470 0.5 1 1024 121 121 LEU CD1 C 22.760 0.5 1 1025 121 121 LEU CD2 C 22.760 0.5 1 1026 121 121 LEU CG C 26.570 0.5 1 1027 121 121 LEU N N 119.030 0.4 1 1028 122 122 GLN H H 8.130 0.03 1 1029 122 122 GLN HA H 4.270 0.03 1 1030 122 122 GLN HB2 H 2.220 0.03 2 1031 122 122 GLN HG2 H 2.430 0.03 2 1032 122 122 GLN HG3 H 2.610 0.03 2 1033 122 122 GLN CA C 57.970 0.5 1 1034 122 122 GLN CB C 28.600 0.5 1 1035 122 122 GLN CG C 34.660 0.5 1 1036 122 122 GLN N N 118.010 0.4 1 1037 123 123 ALA H H 7.910 0.03 1 1038 123 123 ALA HA H 4.370 0.03 1 1039 123 123 ALA HB H 1.670 0.03 1 1040 123 123 ALA CA C 54.110 0.5 1 1041 123 123 ALA CB C 18.990 0.5 1 1042 123 123 ALA N N 122.020 0.4 1 1043 124 124 THR H H 7.760 0.03 1 1044 124 124 THR HA H 4.450 0.03 1 1045 124 124 THR HB H 4.460 0.03 1 1046 124 124 THR HG2 H 1.350 0.03 1 1047 124 124 THR CA C 62.350 0.5 1 1048 124 124 THR CB C 70.140 0.5 1 1049 124 124 THR CG2 C 21.690 0.5 1 1050 124 124 THR N N 107.790 0.4 1 1051 125 125 GLY H H 7.920 0.03 1 1052 125 125 GLY HA2 H 3.920 0.03 2 1053 125 125 GLY HA3 H 4.180 0.03 2 1054 125 125 GLY CA C 45.820 0.5 1 1055 125 125 GLY N N 109.660 0.4 1 1056 126 126 GLU H H 8.050 0.03 1 1057 126 126 GLU HA H 4.420 0.03 1 1058 126 126 GLU HB2 H 1.870 0.03 2 1059 126 126 GLU HB3 H 2.090 0.03 2 1060 126 126 GLU HG2 H 2.260 0.03 2 1061 126 126 GLU CA C 56.150 0.5 1 1062 126 126 GLU CB C 30.450 0.5 1 1063 126 126 GLU CG C 36.000 0.5 1 1064 126 126 GLU N N 120.200 0.4 1 1065 127 127 THR H H 8.540 0.03 1 1066 127 127 THR HA H 4.310 0.03 1 1067 127 127 THR HB H 4.210 0.03 1 1068 127 127 THR HG2 H 1.220 0.03 1 1069 127 127 THR CA C 62.570 0.5 1 1070 127 127 THR CB C 69.100 0.5 1 1071 127 127 THR CG2 C 21.730 0.5 1 1072 127 127 THR N N 116.850 0.4 1 1073 128 128 ILE H H 8.080 0.03 1 1074 128 128 ILE HA H 4.620 0.03 1 1075 128 128 ILE HB H 1.950 0.03 1 1076 128 128 ILE HD1 H 0.820 0.03 1 1077 128 128 ILE HG12 H 1.270 0.03 1 1078 128 128 ILE HG13 H 1.490 0.03 1 1079 128 128 ILE HG2 H 0.930 0.03 1 1080 128 128 ILE CA C 59.770 0.5 1 1081 128 128 ILE CB C 39.910 0.5 1 1082 128 128 ILE CD1 C 13.400 0.5 1 1083 128 128 ILE CG1 C 27.200 0.5 1 1084 128 128 ILE CG2 C 17.700 0.5 1 1085 128 128 ILE N N 124.270 0.4 1 1086 129 129 THR H H 8.830 0.03 1 1087 129 129 THR HA H 4.640 0.03 1 1088 129 129 THR HB H 4.460 0.03 1 1089 129 129 THR HG2 H 1.320 0.03 1 1090 129 129 THR CA C 60.670 0.5 1 1091 129 129 THR CB C 71.590 0.5 1 1092 129 129 THR CG2 C 21.700 0.5 1 1093 129 129 THR N N 116.750 0.4 1 1094 130 130 GLU H H 8.930 0.03 1 1095 130 130 GLU HA H 3.990 0.03 1 1096 130 130 GLU HB2 H 2.120 0.03 2 1097 130 130 GLU HG2 H 2.380 0.03 2 1098 130 130 GLU CA C 60.170 0.5 1 1099 130 130 GLU CB C 29.330 0.5 1 1100 130 130 GLU CG C 36.800 0.5 1 1101 130 130 GLU N N 120.740 0.4 1 1102 131 131 ASP H H 8.210 0.03 1 1103 131 131 ASP HA H 4.430 0.03 1 1104 131 131 ASP HB2 H 2.540 0.03 2 1105 131 131 ASP HB3 H 2.710 0.03 2 1106 131 131 ASP CA C 56.960 0.5 1 1107 131 131 ASP CB C 40.480 0.5 1 1108 131 131 ASP N N 117.920 0.4 1 1109 132 132 ASP H H 7.710 0.03 1 1110 132 132 ASP HA H 4.480 0.03 1 1111 132 132 ASP HB2 H 2.660 0.03 2 1112 132 132 ASP HB3 H 3.060 0.03 2 1113 132 132 ASP CA C 57.100 0.5 1 1114 132 132 ASP CB C 40.800 0.5 1 1115 132 132 ASP N N 120.100 0.4 1 1116 133 133 ILE H H 7.890 0.03 1 1117 133 133 ILE HA H 3.630 0.03 1 1118 133 133 ILE HB H 2.010 0.03 1 1119 133 133 ILE HD1 H 0.860 0.03 1 1120 133 133 ILE HG12 H 1.770 0.03 1 1121 133 133 ILE HG2 H 0.930 0.03 1 1122 133 133 ILE CA C 65.010 0.5 1 1123 133 133 ILE CB C 37.620 0.5 1 1124 133 133 ILE CD1 C 13.810 0.5 1 1125 133 133 ILE CG1 C 29.120 0.5 1 1126 133 133 ILE CG2 C 18.040 0.5 1 1127 133 133 ILE N N 120.780 0.4 1 1128 134 134 GLU H H 8.010 0.03 1 1129 134 134 GLU HA H 3.900 0.03 1 1130 134 134 GLU HB2 H 2.140 0.03 2 1131 134 134 GLU HG2 H 2.250 0.03 2 1132 134 134 GLU HG3 H 2.480 0.03 2 1133 134 134 GLU CA C 59.920 0.5 1 1134 134 134 GLU CB C 29.320 0.5 1 1135 134 134 GLU CG C 36.700 0.5 1 1136 134 134 GLU N N 119.370 0.4 1 1137 135 135 GLU H H 7.830 0.03 1 1138 135 135 GLU HA H 4.030 0.03 1 1139 135 135 GLU HB2 H 2.160 0.03 2 1140 135 135 GLU HG2 H 2.410 0.03 2 1141 135 135 GLU CA C 59.300 0.5 1 1142 135 135 GLU CB C 29.430 0.5 1 1143 135 135 GLU CG C 36.100 0.5 1 1144 135 135 GLU N N 118.810 0.4 1 1145 136 136 LEU H H 7.830 0.03 1 1146 136 136 LEU HA H 4.130 0.03 1 1147 136 136 LEU HB2 H 1.660 0.03 2 1148 136 136 LEU HB3 H 1.870 0.03 2 1149 136 136 LEU HD1 H 0.890 0.03 2 1150 136 136 LEU HD2 H 0.890 0.03 2 1151 136 136 LEU HG H 1.760 0.03 1 1152 136 136 LEU CA C 58.230 0.5 1 1153 136 136 LEU CB C 42.140 0.5 1 1154 136 136 LEU CD1 C 25.500 0.5 1 1155 136 136 LEU CD2 C 24.700 0.5 1 1156 136 136 LEU CG C 27.430 0.5 1 1157 136 136 LEU N N 121.470 0.4 1 1158 137 137 MET H H 8.100 0.03 1 1159 137 137 MET HA H 4.120 0.03 1 1160 137 137 MET HB2 H 1.880 0.03 2 1161 137 137 MET HB3 H 2.010 0.03 2 1162 137 137 MET HE H 1.950 0.03 1 1163 137 137 MET CA C 57.560 0.5 1 1164 137 137 MET CB C 31.110 0.5 1 1165 137 137 MET CE C 17.290 0.5 1 1166 137 137 MET CG C 31.460 0.5 1 1167 137 137 MET N N 117.070 0.4 1 1168 138 138 LYS H H 7.810 0.03 1 1169 138 138 LYS HA H 4.070 0.03 1 1170 138 138 LYS HB2 H 1.690 0.03 2 1171 138 138 LYS HD2 H 1.930 0.03 2 1172 138 138 LYS HE2 H 2.980 0.03 2 1173 138 138 LYS HG2 H 1.500 0.03 2 1174 138 138 LYS CA C 59.140 0.5 1 1175 138 138 LYS CB C 32.300 0.5 1 1176 138 138 LYS CD C 29.400 0.5 1 1177 138 138 LYS CE C 42.130 0.5 1 1178 138 138 LYS CG C 25.300 0.5 1 1179 138 138 LYS N N 117.530 0.4 1 1180 139 139 ASP H H 7.810 0.03 1 1181 139 139 ASP HA H 4.520 0.03 1 1182 139 139 ASP HB2 H 2.870 0.03 2 1183 139 139 ASP CA C 56.330 0.5 1 1184 139 139 ASP CB C 41.460 0.5 1 1185 139 139 ASP N N 117.400 0.4 1 1186 140 140 GLY H H 8.020 0.03 1 1187 140 140 GLY HA2 H 2.930 0.03 2 1188 140 140 GLY HA3 H 3.960 0.03 2 1189 140 140 GLY CA C 45.790 0.5 1 1190 140 140 GLY N N 105.000 0.4 1 1191 141 141 ASP H H 8.170 0.03 1 1192 141 141 ASP HA H 4.630 0.03 1 1193 141 141 ASP HB2 H 2.420 0.03 2 1194 141 141 ASP HB3 H 2.990 0.03 2 1195 141 141 ASP CA C 53.140 0.5 1 1196 141 141 ASP CB C 39.570 0.5 1 1197 141 141 ASP N N 120.020 0.4 1 1198 142 142 LYS H H 7.790 0.03 1 1199 142 142 LYS HA H 4.190 0.03 1 1200 142 142 LYS HB2 H 1.980 0.03 2 1201 142 142 LYS HD2 H 1.760 0.03 2 1202 142 142 LYS HE2 H 3.120 0.03 2 1203 142 142 LYS HG2 H 1.550 0.03 2 1204 142 142 LYS CA C 57.860 0.5 1 1205 142 142 LYS CB C 33.030 0.5 1 1206 142 142 LYS CD C 28.570 0.5 1 1207 142 142 LYS CE C 42.220 0.5 1 1208 142 142 LYS CG C 24.860 0.5 1 1209 142 142 LYS N N 125.950 0.4 1 1210 143 143 ASN H H 8.140 0.03 1 1211 143 143 ASN HA H 4.850 0.03 1 1212 143 143 ASN HB2 H 2.880 0.03 2 1213 143 143 ASN HB3 H 3.340 0.03 2 1214 143 143 ASN CA C 51.650 0.5 1 1215 143 143 ASN CB C 37.180 0.5 1 1216 143 143 ASN N N 113.660 0.4 1 1217 144 144 ASN H H 7.780 0.03 1 1218 144 144 ASN HA H 4.510 0.03 1 1219 144 144 ASN HB2 H 2.690 0.03 2 1220 144 144 ASN HB3 H 3.090 0.03 2 1221 144 144 ASN CA C 55.050 0.5 1 1222 144 144 ASN CB C 37.720 0.5 1 1223 144 144 ASN N N 115.610 0.4 1 1224 145 145 ASP H H 8.610 0.03 1 1225 145 145 ASP HA H 4.730 0.03 1 1226 145 145 ASP HB2 H 2.420 0.03 2 1227 145 145 ASP HB3 H 3.030 0.03 2 1228 145 145 ASP CA C 53.030 0.5 1 1229 145 145 ASP CB C 40.940 0.5 1 1230 145 145 ASP N N 118.080 0.4 1 1231 146 146 GLY H H 10.380 0.03 1 1232 146 146 GLY HA2 H 3.520 0.03 2 1233 146 146 GLY HA3 H 4.070 0.03 2 1234 146 146 GLY CA C 45.840 0.5 1 1235 146 146 GLY N N 112.970 0.4 1 1236 147 147 ARG H H 7.760 0.03 1 1237 147 147 ARG HA H 4.860 0.03 1 1238 147 147 ARG HB2 H 1.520 0.03 2 1239 147 147 ARG HB3 H 1.630 0.03 2 1240 147 147 ARG HD2 H 2.260 0.03 2 1241 147 147 ARG HD3 H 2.560 0.03 2 1242 147 147 ARG HG2 H 1.260 0.03 2 1243 147 147 ARG HG3 H 1.310 0.03 2 1244 147 147 ARG CA C 54.020 0.5 1 1245 147 147 ARG CB C 34.210 0.5 1 1246 147 147 ARG CD C 43.100 0.5 1 1247 147 147 ARG CG C 25.770 0.5 1 1248 147 147 ARG N N 115.600 0.4 1 1249 148 148 ILE H H 9.390 0.03 1 1250 148 148 ILE HA H 5.230 0.03 1 1251 148 148 ILE HB H 2.130 0.03 1 1252 148 148 ILE HD1 H 0.620 0.03 1 1253 148 148 ILE HG12 H 0.820 0.03 1 1254 148 148 ILE HG13 H 1.550 0.03 1 1255 148 148 ILE HG2 H 1.340 0.03 1 1256 148 148 ILE CA C 59.860 0.5 1 1257 148 148 ILE CB C 39.390 0.5 1 1258 148 148 ILE CD1 C 12.600 0.5 1 1259 148 148 ILE CG1 C 28.100 0.5 1 1260 148 148 ILE CG2 C 17.900 0.5 1 1261 148 148 ILE N N 126.130 0.4 1 1262 149 149 ASP H H 9.300 0.03 1 1263 149 149 ASP HA H 5.300 0.03 1 1264 149 149 ASP HB2 H 2.890 0.03 2 1265 149 149 ASP HB3 H 3.290 0.03 2 1266 149 149 ASP CA C 52.380 0.5 1 1267 149 149 ASP CB C 42.040 0.5 1 1268 149 149 ASP N N 128.410 0.4 1 1269 150 150 TYR H H 8.500 0.03 1 1270 150 150 TYR HA H 3.270 0.03 1 1271 150 150 TYR HD1 H 6.350 0.03 3 1272 150 150 TYR HE1 H 6.610 0.03 3 1273 150 150 TYR CA C 62.240 0.5 1 1274 150 150 TYR CB C 38.380 0.5 1 1275 150 150 TYR CD1 C 132.900 0.5 3 1276 150 150 TYR CE1 C 117.530 0.5 3 1277 150 150 TYR N N 118.620 0.4 1 1278 151 151 ASP H H 7.790 0.03 1 1279 151 151 ASP HA H 4.250 0.03 1 1280 151 151 ASP HB2 H 2.710 0.03 2 1281 151 151 ASP CA C 57.860 0.5 1 1282 151 151 ASP CB C 40.660 0.5 1 1283 151 151 ASP N N 117.470 0.4 1 1284 152 152 GLU H H 8.860 0.03 1 1285 152 152 GLU HA H 4.130 0.03 1 1286 152 152 GLU HB2 H 2.320 0.03 2 1287 152 152 GLU HG2 H 3.060 0.03 2 1288 152 152 GLU CA C 58.770 0.5 1 1289 152 152 GLU CB C 30.140 0.5 1 1290 152 152 GLU CG C 37.290 0.5 1 1291 152 152 GLU N N 120.950 0.4 1 1292 153 153 FTR H H 9.240 0.03 1 1293 153 153 FTR HD1 H 6.800 0.03 1 1294 153 153 FTR HE1 H 9.950 0.03 1 1295 153 153 FTR HE3 H 7.200 0.03 1 1296 153 153 FTR HH2 H 6.800 0.03 1 1297 153 153 FTR HZ2 H 7.210 0.03 1 1298 153 153 FTR N N 123.830 0.4 1 1299 154 154 LEU H H 7.850 0.03 1 1300 154 154 LEU HA H 3.670 0.03 1 1301 154 154 LEU HB2 H 1.790 0.03 2 1302 154 154 LEU HD1 H 0.770 0.03 2 1303 154 154 LEU HD2 H 0.770 0.03 2 1304 154 154 LEU HG H 1.330 0.03 1 1305 154 154 LEU CA C 58.110 0.5 1 1306 154 154 LEU CB C 41.690 0.5 1 1307 154 154 LEU CD1 C 25.520 0.5 1 1308 154 154 LEU CD2 C 23.110 0.5 1 1309 154 154 LEU CG C 25.520 0.5 1 1310 154 154 LEU N N 116.530 0.4 1 1311 155 155 GLU H H 7.240 0.03 1 1312 155 155 GLU HA H 4.064 0.03 1 1313 155 155 GLU HB2 H 2.090 0.03 2 1314 155 155 GLU HG2 H 2.350 0.03 2 1315 155 155 GLU CA C 58.730 0.5 1 1316 155 155 GLU CB C 30.000 0.5 1 1317 155 155 GLU CG C 36.190 0.5 1 1318 155 155 GLU N N 115.740 0.4 1 1319 156 156 PHE H H 8.460 0.03 1 1320 156 156 PHE HA H 4.470 0.03 1 1321 156 156 PHE HB2 H 3.070 0.03 2 1322 156 156 PHE HB3 H 3.420 0.03 2 1323 156 156 PHE HD1 H 7.000 0.03 3 1324 156 156 PHE HE1 H 7.220 0.03 3 1325 156 156 PHE CA C 59.320 0.5 1 1326 156 156 PHE CB C 40.370 0.5 1 1327 156 156 PHE CD1 C 131.500 0.5 3 1328 156 156 PHE CE1 C 131.470 0.5 3 1329 156 156 PHE N N 120.610 0.4 1 1330 157 157 MET H H 8.060 0.03 1 1331 157 157 MET HA H 4.060 0.03 1 1332 157 157 MET HE H 1.600 0.03 1 1333 157 157 MET CA C 54.360 0.5 1 1334 157 157 MET CB C 31.680 0.5 1 1335 157 157 MET CE C 16.300 0.5 1 1336 157 157 MET CG C 31.540 0.5 1 1337 157 157 MET N N 114.690 0.4 1 1338 158 158 LYS H H 7.350 0.03 1 1339 158 158 LYS HA H 4.050 0.03 1 1340 158 158 LYS HB2 H 1.660 0.03 2 1341 158 158 LYS HD2 H 1.860 0.03 2 1342 158 158 LYS HE2 H 2.940 0.03 2 1343 158 158 LYS HG2 H 1.460 0.03 2 1344 158 158 LYS CA C 58.270 0.5 1 1345 158 158 LYS CB C 32.440 0.5 1 1346 158 158 LYS CD C 29.440 0.5 1 1347 158 158 LYS CE C 42.100 0.5 1 1348 158 158 LYS CG C 25.100 0.5 1 1349 158 158 LYS N N 119.560 0.4 1 1350 159 159 GLY H H 7.920 0.03 1 1351 159 159 GLY HA2 H 3.840 0.03 2 1352 159 159 GLY HA3 H 4.010 0.03 2 1353 159 159 GLY CA C 45.330 0.5 1 1354 159 159 GLY N N 107.630 0.4 1 1355 160 160 VAL H H 7.470 0.03 1 1356 160 160 VAL HA H 4.050 0.03 1 1357 160 160 VAL HB H 2.000 0.03 1 1358 160 160 VAL HG1 H 0.786 0.03 2 1359 160 160 VAL HG2 H 0.786 0.03 2 1360 160 160 VAL CA C 62.290 0.5 1 1361 160 160 VAL CB C 32.660 0.5 1 1362 160 160 VAL CG1 C 20.900 0.5 1 1363 160 160 VAL CG2 C 20.900 0.5 1 1364 160 160 VAL N N 119.100 0.4 1 1365 161 161 GLU H H 7.910 0.03 1 1366 161 161 GLU CA C 58.150 0.5 1 1367 161 161 GLU CB C 31.210 0.5 1 1368 161 161 GLU N N 129.420 0.4 1 stop_ save_