data_25120 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Human cardiac troponin C (aCys) in complex with cTnI[1-73] and cTnI[144-163] ; _BMRB_accession_number 25120 _BMRB_flat_file_name bmr25120.str _Entry_type original _Submission_date 2014-07-31 _Accession_date 2014-07-31 _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 Hwang Peter . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 758 "13C chemical shifts" 615 "15N chemical shifts" 162 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-09-03 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 25118 cTnI[1-73] 25119 cTnI[1-73]-cTnC stop_ _Original_release_date 2014-09-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The intrinsically disordered cardiac-specific N-terminal region of troponin I positions the regulatory domain of troponin C' _Citation_status submitted _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hwang Peter . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name cTnC-cTnI[1-73]-cTnI[144-163] _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label cTnC-cTnI[1-73]-cTnI[144-163] $cTnC stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_cTnC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common cTnC _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 161 _Mol_residue_sequence ; MDDIYKAAVEQLTEEQKNEF KAAFDIFVLGAEDGSISTKE LGKVMRMLGQNPTPEELQEM IDEVDEDGSGTVDFDEFLVM MVRSMKDDSKGKSEEELSDL FRMFDKNADGYIDLDELKIM LQATGETITEDDIEELMKDG DKNNDGRIDYDEFLEFMKGV E ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ASP 3 3 ASP 4 4 ILE 5 5 TYR 6 6 LYS 7 7 ALA 8 8 ALA 9 9 VAL 10 10 GLU 11 11 GLN 12 12 LEU 13 13 THR 14 14 GLU 15 15 GLU 16 16 GLN 17 17 LYS 18 18 ASN 19 19 GLU 20 20 PHE 21 21 LYS 22 22 ALA 23 23 ALA 24 24 PHE 25 25 ASP 26 26 ILE 27 27 PHE 28 28 VAL 29 29 LEU 30 30 GLY 31 31 ALA 32 32 GLU 33 33 ASP 34 34 GLY 35 35 SER 36 36 ILE 37 37 SER 38 38 THR 39 39 LYS 40 40 GLU 41 41 LEU 42 42 GLY 43 43 LYS 44 44 VAL 45 45 MET 46 46 ARG 47 47 MET 48 48 LEU 49 49 GLY 50 50 GLN 51 51 ASN 52 52 PRO 53 53 THR 54 54 PRO 55 55 GLU 56 56 GLU 57 57 LEU 58 58 GLN 59 59 GLU 60 60 MET 61 61 ILE 62 62 ASP 63 63 GLU 64 64 VAL 65 65 ASP 66 66 GLU 67 67 ASP 68 68 GLY 69 69 SER 70 70 GLY 71 71 THR 72 72 VAL 73 73 ASP 74 74 PHE 75 75 ASP 76 76 GLU 77 77 PHE 78 78 LEU 79 79 VAL 80 80 MET 81 81 MET 82 82 VAL 83 83 ARG 84 84 SER 85 85 MET 86 86 LYS 87 87 ASP 88 88 ASP 89 89 SER 90 90 LYS 91 91 GLY 92 92 LYS 93 93 SER 94 94 GLU 95 95 GLU 96 96 GLU 97 97 LEU 98 98 SER 99 99 ASP 100 100 LEU 101 101 PHE 102 102 ARG 103 103 MET 104 104 PHE 105 105 ASP 106 106 LYS 107 107 ASN 108 108 ALA 109 109 ASP 110 110 GLY 111 111 TYR 112 112 ILE 113 113 ASP 114 114 LEU 115 115 ASP 116 116 GLU 117 117 LEU 118 118 LYS 119 119 ILE 120 120 MET 121 121 LEU 122 122 GLN 123 123 ALA 124 124 THR 125 125 GLY 126 126 GLU 127 127 THR 128 128 ILE 129 129 THR 130 130 GLU 131 131 ASP 132 132 ASP 133 133 ILE 134 134 GLU 135 135 GLU 136 136 LEU 137 137 MET 138 138 LYS 139 139 ASP 140 140 GLY 141 141 ASP 142 142 LYS 143 143 ASN 144 144 ASN 145 145 ASP 146 146 GLY 147 147 ARG 148 148 ILE 149 149 ASP 150 150 TYR 151 151 ASP 152 152 GLU 153 153 PHE 154 154 LEU 155 155 GLU 156 156 PHE 157 157 MET 158 158 LYS 159 159 GLY 160 160 VAL 161 161 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15385 F104W 100.00 161 99.38 100.00 4.83e-106 BMRB 15388 F153W 100.00 161 99.38 100.00 4.83e-106 BMRB 15400 F153(FTR) 100.00 161 99.38 99.38 2.41e-105 BMRB 15427 F104(FTR) 100.00 161 99.38 100.00 4.83e-106 BMRB 16190 cNTnC 55.28 89 100.00 100.00 1.44e-53 BMRB 16752 TnC 100.00 161 97.52 98.76 2.41e-104 BMRB 17103 cNTnC 55.28 89 97.75 97.75 1.07e-52 BMRB 19789 cNTnC 55.28 89 97.75 97.75 1.07e-52 BMRB 25034 cChimera 55.28 141 98.88 98.88 2.00e-53 BMRB 25035 cChimeraX 55.28 141 98.88 98.88 1.61e-53 BMRB 25495 cNTnC 55.28 89 97.75 97.75 1.07e-52 BMRB 25797 entity_1 55.28 89 98.88 98.88 1.44e-52 PDB 1AJ4 "Structure Of Calcium-Saturated Cardiac Troponin C, Nmr, 1 Structure" 98.76 161 98.74 100.00 2.94e-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 1.07e-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 99.38 100.00 7.24e-106 PDB 1J1D "Crystal Structure Of The 46kda Domain Of Human Cardiac Troponin In The Ca2+ Saturated Form" 100.00 161 99.38 100.00 7.24e-106 PDB 1J1E "Crystal Structure Of The 52kda Domain Of Human Cardiac Troponin In The Ca2+ Saturated Form" 100.00 161 99.38 100.00 7.24e-106 PDB 1LA0 "Solution Structure Of Calcium Saturated Cardiac Troponin C In The Troponin C-Troponin I Complex" 100.00 161 97.52 98.76 2.41e-104 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 1.07e-52 PDB 1MXL "Structure Of Cardiac Troponin C-troponin I Complex" 55.28 89 97.75 97.75 1.07e-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 1.07e-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 8.19e-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 8.19e-53 PDB 2CTN "Structure Of Calcium-Saturated Cardiac Troponin C, Nmr, 30 Structures" 54.04 89 100.00 100.00 2.42e-52 PDB 2JT0 "Solution Structure Of F104w Cardiac Troponin C" 100.00 161 99.38 100.00 4.83e-106 PDB 2JT3 "Solution Structure Of F153w Cardiac Troponin C" 100.00 161 99.38 100.00 4.83e-106 PDB 2JT8 "Solution Structure Of The F153-To-5-Flurotryptophan Mutant Of Human Cardiac Troponin C" 100.00 161 99.38 99.38 2.41e-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 2.41e-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 1.44e-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 1.07e-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 1.07e-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 1.07e-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 1.07e-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 1.07e-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 1.07e-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 1.07e-52 DBJ BAA02369 "cardiac troponin C [Gallus gallus]" 100.00 161 97.52 98.76 2.41e-104 DBJ BAG36483 "unnamed protein product [Homo sapiens]" 100.00 161 98.76 98.76 2.38e-105 EMBL CAA30736 "unnamed protein product [Homo sapiens]" 100.00 161 98.76 98.76 2.38e-105 EMBL CAG46663 "TNNC1 [Homo sapiens]" 100.00 161 98.76 98.76 2.38e-105 EMBL CAG46683 "TNNC1 [Homo sapiens]" 100.00 161 98.76 98.76 2.38e-105 GB AAA36772 "slow twitch skeletal/cardiac muscle troponin C [Homo sapiens]" 100.00 161 98.76 98.76 2.38e-105 GB AAA37492 "slow/cardiac troponin C, partial [Mus musculus]" 100.00 161 98.14 98.76 8.28e-105 GB AAA37493 "slow/cardiac troponin C [Mus musculus]" 100.00 161 98.14 98.76 8.28e-105 GB AAA48654 "slow muscle troponin C [Gallus gallus]" 100.00 161 97.52 98.76 2.41e-104 GB AAB91994 "cardiac ventricular troponin C [Homo sapiens]" 100.00 160 98.14 98.14 5.37e-103 PIR TPHUCC "troponin C, cardiac and slow skeletal muscle - human" 100.00 161 98.76 98.76 2.38e-105 PRF 1510257A "troponin C" 100.00 161 98.14 98.76 8.46e-105 PRF 750650A "troponin c,cardiac" 100.00 161 98.14 98.76 8.46e-105 REF NP_001029277 "troponin C, slow skeletal and cardiac muscles [Rattus norvegicus]" 100.00 161 98.14 98.76 8.28e-105 REF NP_001029523 "troponin C, slow skeletal and cardiac muscles [Bos taurus]" 100.00 161 98.14 98.76 8.46e-105 REF NP_001123715 "troponin C, slow skeletal and cardiac muscles [Sus scrofa]" 100.00 161 98.14 98.76 8.46e-105 REF NP_001272501 "troponin C, slow skeletal and cardiac muscles [Capra hircus]" 100.00 161 98.14 98.76 8.46e-105 REF NP_001291793 "troponin C type 1 (slow) [Ailuropoda melanoleuca]" 100.00 161 97.52 98.14 2.81e-104 SP P02591 "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C" 100.00 161 98.76 98.76 2.38e-105 SP P09860 "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C" 100.00 161 97.52 98.76 2.41e-104 SP P19123 "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C" 100.00 161 98.14 98.76 8.28e-105 SP P63315 "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C" 100.00 161 98.14 98.76 8.46e-105 SP P63316 "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C" 100.00 161 98.76 98.76 2.38e-105 TPG DAA16908 "TPA: troponin C, slow skeletal and cardiac muscles [Bos taurus]" 100.00 161 98.14 98.76 8.46e-105 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $cTnC 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 _Vector_name $cTnC 'recombinant technology' . Escherichia coli . pET3 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 $cTnC 0.5 mM '[U-100% 13C; U-100% 15N]' cTnI[1-73] 0.5 mM 'natural abundance' cTnI[144-163] 1 mM '[U-100% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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 temperature 313 . K pH 6.2 . pH pressure 1 . atm 'ionic strength' 0.12 . M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' 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 cTnC-cTnI[1-73]-cTnI[144-163] _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 HA H 4.632 . 1 2 2 2 ASP C C 176.090 . 1 3 2 2 ASP CA C 54.895 . 1 4 3 3 ASP H H 8.477 . 1 5 3 3 ASP HA H 4.480 . 1 6 3 3 ASP HB2 H 2.680 . 2 7 3 3 ASP C C 177.756 . 1 8 3 3 ASP CA C 56.020 . 1 9 3 3 ASP CB C 41.196 . 1 10 3 3 ASP N N 122.582 . 1 11 4 4 ILE H H 8.182 . 1 12 4 4 ILE HA H 3.909 . 1 13 4 4 ILE HB H 1.655 . 1 14 4 4 ILE HG12 H 0.956 . 2 15 4 4 ILE HG2 H 0.575 . 1 16 4 4 ILE HD1 H 0.693 . 1 17 4 4 ILE C C 177.473 . 1 18 4 4 ILE CA C 63.553 . 1 19 4 4 ILE CB C 37.733 . 1 20 4 4 ILE CG1 C 27.193 . 1 21 4 4 ILE CG2 C 17.145 . 1 22 4 4 ILE CD1 C 13.414 . 1 23 4 4 ILE N N 119.182 . 1 24 5 5 TYR H H 7.603 . 1 25 5 5 TYR HA H 4.454 . 1 26 5 5 TYR HB2 H 2.916 . 2 27 5 5 TYR HB3 H 3.098 . 2 28 5 5 TYR HD1 H 7.066 . 3 29 5 5 TYR HE1 H 6.820 . 3 30 5 5 TYR C C 177.005 . 1 31 5 5 TYR CA C 59.654 . 1 32 5 5 TYR CB C 37.823 . 1 33 5 5 TYR N N 120.749 . 1 34 6 6 LYS H H 7.891 . 1 35 6 6 LYS HA H 3.980 . 1 36 6 6 LYS HB2 H 1.847 . 2 37 6 6 LYS HG2 H 1.469 . 2 38 6 6 LYS HE2 H 2.975 . 2 39 6 6 LYS C C 178.696 . 1 40 6 6 LYS CA C 59.596 . 1 41 6 6 LYS CB C 32.386 . 1 42 6 6 LYS CG C 25.088 . 1 43 6 6 LYS CE C 41.798 . 1 44 6 6 LYS N N 120.766 . 1 45 7 7 ALA H H 7.917 . 1 46 7 7 ALA HA H 4.144 . 1 47 7 7 ALA HB H 1.404 . 1 48 7 7 ALA C C 179.546 . 1 49 7 7 ALA CA C 54.430 . 1 50 7 7 ALA CB C 18.014 . 1 51 7 7 ALA N N 120.343 . 1 52 8 8 ALA H H 7.479 . 1 53 8 8 ALA HA H 4.180 . 1 54 8 8 ALA HB H 1.554 . 1 55 8 8 ALA C C 180.659 . 1 56 8 8 ALA CA C 54.547 . 1 57 8 8 ALA CB C 18.437 . 1 58 8 8 ALA N N 119.752 . 1 59 9 9 VAL H H 8.012 . 1 60 9 9 VAL HA H 3.603 . 1 61 9 9 VAL HB H 2.132 . 1 62 9 9 VAL HG1 H 1.000 . 2 63 9 9 VAL HG2 H 0.944 . 2 64 9 9 VAL CA C 66.002 . 9 65 9 9 VAL CB C 32.016 . 1 66 9 9 VAL CG1 C 23.296 . 2 67 9 9 VAL CG2 C 21.982 . 2 68 9 9 VAL N N 118.874 . 1 69 10 10 GLU H H 7.797 . 1 70 10 10 GLU HA H 4.106 . 1 71 10 10 GLU HB2 H 2.106 . 2 72 10 10 GLU HG2 H 2.451 . 2 73 10 10 GLU HG3 H 2.333 . 2 74 10 10 GLU CA C 58.298 . 1 75 10 10 GLU CB C 29.387 . 1 76 10 10 GLU CG C 36.445 . 1 77 10 10 GLU CD C 177.256 . 1 78 10 10 GLU N N 118.561 . 1 79 11 11 GLN H H 7.367 . 1 80 11 11 GLN HA H 4.309 . 1 81 11 11 GLN HB2 H 2.060 . 2 82 11 11 GLN HB3 H 2.340 . 2 83 11 11 GLN HG2 H 2.472 . 2 84 11 11 GLN HG3 H 2.524 . 2 85 11 11 GLN HE21 H 6.754 . 2 86 11 11 GLN C C 176.691 . 1 87 11 11 GLN CA C 55.574 . 1 88 11 11 GLN CB C 29.310 . 1 89 11 11 GLN CG C 34.096 . 1 90 11 11 GLN N N 114.840 . 1 91 11 11 GLN NE2 N 111.673 . 1 92 12 12 LEU H H 7.351 . 1 93 12 12 LEU HA H 4.516 . 1 94 12 12 LEU HB2 H 1.937 . 2 95 12 12 LEU HB3 H 1.424 . 2 96 12 12 LEU HG H 2.146 . 1 97 12 12 LEU HD1 H 0.918 . 2 98 12 12 LEU HD2 H 0.976 . 2 99 12 12 LEU C C 177.983 . 1 100 12 12 LEU CA C 54.989 . 1 101 12 12 LEU CB C 43.129 . 1 102 12 12 LEU CG C 26.550 . 1 103 12 12 LEU CD1 C 23.122 . 2 104 12 12 LEU CD2 C 27.322 . 2 105 12 12 LEU N N 120.626 . 1 106 13 13 THR H H 8.851 . 1 107 13 13 THR HA H 4.438 . 1 108 13 13 THR HB H 4.819 . 1 109 13 13 THR HG2 H 1.402 . 1 110 13 13 THR C C 177.953 . 1 111 13 13 THR CA C 60.625 . 1 112 13 13 THR CB C 70.986 . 1 113 13 13 THR CG2 C 21.933 . 1 114 13 13 THR N N 113.659 . 1 115 14 14 GLU H H 8.950 . 1 116 14 14 GLU HA H 3.964 . 1 117 14 14 GLU HB2 H 2.062 . 2 118 14 14 GLU HG2 H 2.351 . 2 119 14 14 GLU C C 178.616 . 1 120 14 14 GLU CA C 59.885 . 1 121 14 14 GLU CB C 29.247 . 1 122 14 14 GLU CG C 36.205 . 1 123 14 14 GLU N N 121.626 . 1 124 15 15 GLU H H 8.533 . 1 125 15 15 GLU HA H 4.036 . 1 126 15 15 GLU HB2 H 2.037 . 2 127 15 15 GLU HG2 H 2.319 . 2 128 15 15 GLU C C 179.393 . 1 129 15 15 GLU CA C 60.109 . 1 130 15 15 GLU CB C 29.289 . 1 131 15 15 GLU CG C 36.597 . 1 132 15 15 GLU N N 117.650 . 1 133 16 16 GLN H H 7.793 . 1 134 16 16 GLN HA H 3.842 . 1 135 16 16 GLN HB2 H 2.080 . 2 136 16 16 GLN HB3 H 1.631 . 2 137 16 16 GLN HG2 H 2.246 . 2 138 16 16 GLN HG3 H 2.346 . 2 139 16 16 GLN C C 178.584 . 1 140 16 16 GLN CA C 58.731 . 1 141 16 16 GLN CB C 29.228 . 1 142 16 16 GLN CG C 34.976 . 1 143 16 16 GLN N N 119.178 . 1 144 17 17 LYS H H 8.510 . 1 145 17 17 LYS HA H 3.983 . 1 146 17 17 LYS HB2 H 1.997 . 2 147 17 17 LYS HG2 H 1.504 . 2 148 17 17 LYS HD2 H 1.780 . 2 149 17 17 LYS HE2 H 3.002 . 2 150 17 17 LYS C C 178.569 . 1 151 17 17 LYS CA C 61.740 . 1 152 17 17 LYS CB C 32.099 . 1 153 17 17 LYS CG C 24.733 . 1 154 17 17 LYS CD C 29.435 . 1 155 17 17 LYS CE C 41.920 . 1 156 17 17 LYS N N 118.595 . 1 157 18 18 ASN H H 8.506 . 1 158 18 18 ASN HA H 4.553 . 1 159 18 18 ASN HB2 H 2.814 . 2 160 18 18 ASN HB3 H 2.993 . 2 161 18 18 ASN HD21 H 7.560 . 2 162 18 18 ASN HD22 H 6.955 . 2 163 18 18 ASN C C 178.622 . 1 164 18 18 ASN CA C 55.844 . 1 165 18 18 ASN CB C 37.805 . 1 166 18 18 ASN N N 117.733 . 1 167 18 18 ASN ND2 N 111.683 . 1 168 19 19 GLU H H 8.009 . 1 169 19 19 GLU HA H 4.183 . 1 170 19 19 GLU HB2 H 2.031 . 2 171 19 19 GLU HG2 H 2.452 . 2 172 19 19 GLU HG3 H 2.253 . 2 173 19 19 GLU C C 179.147 . 1 174 19 19 GLU CA C 59.382 . 1 175 19 19 GLU CB C 29.165 . 1 176 19 19 GLU CG C 35.854 . 1 177 19 19 GLU N N 123.233 . 1 178 20 20 PHE H H 8.403 . 1 179 20 20 PHE HA H 4.947 . 1 180 20 20 PHE HB2 H 3.490 . 2 181 20 20 PHE HD1 H 7.220 . 3 182 20 20 PHE C C 178.570 . 1 183 20 20 PHE CA C 59.316 . 1 184 20 20 PHE CB C 37.717 . 1 185 20 20 PHE N N 117.576 . 1 186 21 21 LYS H H 8.876 . 1 187 21 21 LYS HA H 4.005 . 1 188 21 21 LYS HB2 H 2.037 . 2 189 21 21 LYS HB3 H 1.759 . 2 190 21 21 LYS HG2 H 1.120 . 2 191 21 21 LYS HG3 H 1.217 . 2 192 21 21 LYS HD2 H 0.567 . 2 193 21 21 LYS HD3 H 1.447 . 2 194 21 21 LYS HE2 H 2.672 . 2 195 21 21 LYS HE3 H 2.719 . 2 196 21 21 LYS C C 177.057 . 1 197 21 21 LYS CA C 58.898 . 1 198 21 21 LYS CB C 31.710 . 1 199 21 21 LYS CG C 24.400 . 1 200 21 21 LYS CD C 27.250 . 1 201 21 21 LYS CE C 41.949 . 1 202 21 21 LYS N N 122.559 . 1 203 22 22 ALA H H 7.810 . 1 204 22 22 ALA HA H 4.202 . 1 205 22 22 ALA HB H 1.565 . 1 206 22 22 ALA C C 180.592 . 1 207 22 22 ALA CA C 54.834 . 1 208 22 22 ALA CB C 17.696 . 1 209 22 22 ALA N N 121.306 . 1 210 23 23 ALA H H 7.912 . 1 211 23 23 ALA HA H 4.149 . 1 212 23 23 ALA HB H 1.826 . 1 213 23 23 ALA CA C 54.894 . 1 214 23 23 ALA CB C 18.825 . 1 215 23 23 ALA N N 118.979 . 1 216 24 24 PHE H H 8.864 . 1 217 24 24 PHE HA H 3.490 . 1 218 24 24 PHE HB2 H 2.889 . 2 219 24 24 PHE HB3 H 3.212 . 2 220 24 24 PHE HD1 H 7.218 . 3 221 24 24 PHE C C 176.260 . 1 222 24 24 PHE CA C 62.252 . 1 223 24 24 PHE CB C 39.940 . 1 224 24 24 PHE N N 120.924 . 1 225 25 25 ASP H H 8.561 . 1 226 25 25 ASP HA H 4.287 . 1 227 25 25 ASP HB2 H 2.784 . 2 228 25 25 ASP HB3 H 2.519 . 2 229 25 25 ASP C C 178.975 . 1 230 25 25 ASP CA C 56.764 . 1 231 25 25 ASP CB C 39.905 . 1 232 25 25 ASP N N 116.577 . 1 233 26 26 ILE H H 7.277 . 1 234 26 26 ILE HA H 3.764 . 1 235 26 26 ILE HB H 1.936 . 1 236 26 26 ILE HG12 H 1.691 . 2 237 26 26 ILE HG13 H 1.217 . 2 238 26 26 ILE HG2 H 0.719 . 1 239 26 26 ILE HD1 H 0.839 . 1 240 26 26 ILE C C 178.324 . 1 241 26 26 ILE CA C 63.795 . 1 242 26 26 ILE CB C 37.616 . 1 243 26 26 ILE CG1 C 28.686 . 1 244 26 26 ILE CG2 C 17.455 . 1 245 26 26 ILE CD1 C 13.057 . 1 246 26 26 ILE N N 119.169 . 1 247 27 27 PHE H H 8.126 . 1 248 27 27 PHE HD1 H 7.168 . 3 249 27 27 PHE N N 122.203 . 1 250 28 28 VAL H H 7.510 . 1 251 28 28 VAL HA H 3.984 . 1 252 28 28 VAL HB H 1.948 . 1 253 28 28 VAL HG1 H 0.229 . 2 254 28 28 VAL HG2 H 0.642 . 2 255 28 28 VAL CA C 61.675 . 1 256 28 28 VAL CB C 31.614 . 1 257 28 28 VAL CG1 C 21.468 . 2 258 28 28 VAL CG2 C 19.553 . 2 259 28 28 VAL N N 106.994 . 1 260 29 29 LEU H H 7.274 . 1 261 29 29 LEU HA H 4.092 . 1 262 29 29 LEU HB2 H 1.791 . 2 263 29 29 LEU HB3 H 1.598 . 2 264 29 29 LEU HG H 1.763 . 1 265 29 29 LEU HD1 H 0.891 . 2 266 29 29 LEU CA C 56.922 . 1 267 29 29 LEU CB C 41.262 . 1 268 29 29 LEU CG C 26.719 . 1 269 29 29 LEU CD1 C 24.045 . 2 270 29 29 LEU N N 125.426 . 1 271 30 30 GLY H H 8.747 . 1 272 30 30 GLY HA2 H 3.786 . 2 273 30 30 GLY HA3 H 4.052 . 2 274 30 30 GLY C C 174.126 . 1 275 30 30 GLY CA C 45.416 . 1 276 30 30 GLY N N 111.857 . 1 277 31 31 ALA H H 7.950 . 1 278 31 31 ALA HA H 4.429 . 1 279 31 31 ALA HB H 1.495 . 1 280 31 31 ALA C C 179.087 . 1 281 31 31 ALA CA C 52.085 . 1 282 31 31 ALA CB C 19.645 . 1 283 31 31 ALA N N 124.070 . 1 284 32 32 GLU H H 9.044 . 1 285 32 32 GLU HA H 4.095 . 1 286 32 32 GLU HB2 H 2.039 . 2 287 32 32 GLU HG2 H 2.325 . 2 288 32 32 GLU C C 177.166 . 1 289 32 32 GLU CA C 59.050 . 1 290 32 32 GLU CB C 29.913 . 1 291 32 32 GLU CG C 36.360 . 1 292 32 32 GLU N N 124.292 . 1 293 33 33 ASP H H 8.139 . 1 294 33 33 ASP HA H 4.729 . 1 295 33 33 ASP HB2 H 2.663 . 2 296 33 33 ASP HB3 H 2.913 . 2 297 33 33 ASP C C 177.639 . 1 298 33 33 ASP CA C 53.193 . 1 299 33 33 ASP CB C 41.072 . 1 300 33 33 ASP N N 115.870 . 1 301 34 34 GLY H H 7.628 . 1 302 34 34 GLY HA2 H 3.949 . 2 303 34 34 GLY C C 172.776 . 1 304 34 34 GLY CA C 46.296 . 1 305 34 34 GLY N N 105.709 . 1 306 35 35 SER H H 7.584 . 1 307 35 35 SER HA H 4.970 . 1 308 35 35 SER HB2 H 3.670 . 2 309 35 35 SER HB3 H 3.516 . 2 310 35 35 SER C C 172.060 . 1 311 35 35 SER CA C 57.212 . 1 312 35 35 SER CB C 65.895 . 1 313 35 35 SER N N 113.153 . 1 314 36 36 ILE H H 8.730 . 1 315 36 36 ILE HA H 3.862 . 1 316 36 36 ILE HB H 1.821 . 1 317 36 36 ILE HG12 H 1.389 . 2 318 36 36 ILE HG2 H 0.715 . 1 319 36 36 ILE HD1 H 0.334 . 1 320 36 36 ILE CA C 62.410 . 1 321 36 36 ILE CB C 39.997 . 1 322 36 36 ILE CG1 C 27.839 . 1 323 36 36 ILE CG2 C 17.712 . 1 324 36 36 ILE CD1 C 14.632 . 1 325 36 36 ILE N N 119.142 . 1 326 37 37 SER HA H 5.049 . 1 327 37 37 SER C C 0.000 . 1 328 37 37 SER CA C 57.238 . 1 329 38 38 THR H H 8.768 . 9 330 38 38 THR HA H 3.751 . 1 331 38 38 THR HB H 4.249 . 1 332 38 38 THR HG2 H 1.255 . 1 333 38 38 THR C C 177.039 . 1 334 38 38 THR CA C 66.168 . 1 335 38 38 THR CB C 67.909 . 1 336 38 38 THR CG2 C 22.818 . 1 337 38 38 THR N N 112.122 . 1 338 39 39 LYS H H 8.015 . 1 339 39 39 LYS HA H 4.086 . 1 340 39 39 LYS HB2 H 1.818 . 2 341 39 39 LYS HG2 H 1.475 . 2 342 39 39 LYS C C 178.762 . 1 343 39 39 LYS CA C 58.943 . 1 344 39 39 LYS CB C 32.268 . 1 345 39 39 LYS CG C 24.856 . 1 346 39 39 LYS N N 122.795 . 1 347 40 40 GLU H H 7.685 . 1 348 40 40 GLU HA H 4.160 . 1 349 40 40 GLU HB2 H 1.701 . 2 350 40 40 GLU HG2 H 2.302 . 2 351 40 40 GLU C C 178.621 . 1 352 40 40 GLU CA C 59.860 . 1 353 40 40 GLU CB C 29.293 . 1 354 40 40 GLU CG C 36.405 . 1 355 40 40 GLU N N 119.224 . 1 356 41 41 LEU H H 8.227 . 1 357 41 41 LEU HA H 4.148 . 1 358 41 41 LEU HB2 H 1.682 . 2 359 41 41 LEU HB3 H 1.406 . 2 360 41 41 LEU HG H 1.857 . 1 361 41 41 LEU HD1 H 0.786 . 2 362 41 41 LEU HD2 H 0.867 . 2 363 41 41 LEU C C 178.520 . 1 364 41 41 LEU CA C 57.786 . 1 365 41 41 LEU CB C 42.616 . 1 366 41 41 LEU CG C 27.592 . 1 367 41 41 LEU CD1 C 24.139 . 2 368 41 41 LEU CD2 C 25.370 . 2 369 41 41 LEU N N 119.174 . 1 370 42 42 GLY H H 8.491 . 1 371 42 42 GLY HA2 H 3.556 . 2 372 42 42 GLY HA3 H 3.935 . 2 373 42 42 GLY C C 175.123 . 1 374 42 42 GLY CA C 47.886 . 1 375 42 42 GLY N N 105.915 . 1 376 43 43 LYS H H 7.307 . 1 377 43 43 LYS HA H 4.002 . 1 378 43 43 LYS HB2 H 1.978 . 2 379 43 43 LYS HG2 H 1.616 . 2 380 43 43 LYS HG3 H 1.408 . 2 381 43 43 LYS HD2 H 1.782 . 2 382 43 43 LYS HE2 H 3.006 . 2 383 43 43 LYS C C 179.323 . 1 384 43 43 LYS CA C 59.878 . 1 385 43 43 LYS CB C 32.402 . 1 386 43 43 LYS CG C 25.162 . 1 387 43 43 LYS CD C 29.480 . 1 388 43 43 LYS CE C 41.845 . 1 389 43 43 LYS N N 120.881 . 1 390 44 44 VAL H H 7.539 . 1 391 44 44 VAL HA H 3.597 . 1 392 44 44 VAL HB H 1.945 . 1 393 44 44 VAL HG1 H 0.658 . 2 394 44 44 VAL HG2 H 0.506 . 2 395 44 44 VAL C C 177.639 . 1 396 44 44 VAL CA C 66.040 . 1 397 44 44 VAL CB C 31.643 . 1 398 44 44 VAL CG1 C 21.119 . 2 399 44 44 VAL CG2 C 22.578 . 2 400 44 44 VAL N N 119.401 . 1 401 45 45 MET H H 8.377 . 1 402 45 45 MET HA H 4.195 . 1 403 45 45 MET HB2 H 2.111 . 2 404 45 45 MET HG2 H 2.537 . 2 405 45 45 MET HG3 H 2.571 . 2 406 45 45 MET HE H 1.874 . 1 407 45 45 MET C C 179.077 . 1 408 45 45 MET CA C 58.361 . 1 409 45 45 MET CB C 30.920 . 1 410 45 45 MET CG C 33.263 . 1 411 45 45 MET CE C 17.545 . 1 412 45 45 MET N N 116.712 . 1 413 46 46 ARG H H 8.061 . 1 414 46 46 ARG HA H 4.656 . 1 415 46 46 ARG HB2 H 1.970 . 2 416 46 46 ARG HB3 H 1.928 . 2 417 46 46 ARG HG2 H 1.797 . 2 418 46 46 ARG HG3 H 1.930 . 2 419 46 46 ARG HD2 H 3.297 . 2 420 46 46 ARG HD3 H 3.199 . 2 421 46 46 ARG HE H 7.249 . 1 422 46 46 ARG C C 181.366 . 1 423 46 46 ARG CA C 59.420 . 1 424 46 46 ARG CB C 29.907 . 1 425 46 46 ARG CG C 28.468 . 1 426 46 46 ARG CD C 43.343 . 1 427 46 46 ARG N N 118.752 . 1 428 46 46 ARG NH2 N 73.139 . 2 429 47 47 MET H H 7.858 . 1 430 47 47 MET HA H 4.242 . 1 431 47 47 MET HB2 H 2.345 . 2 432 47 47 MET HB3 H 1.922 . 2 433 47 47 MET HG2 H 2.831 . 2 434 47 47 MET HG3 H 2.682 . 2 435 47 47 MET HE H 2.132 . 1 436 47 47 MET C C 177.549 . 1 437 47 47 MET CA C 58.858 . 1 438 47 47 MET CB C 32.400 . 1 439 47 47 MET CG C 32.188 . 1 440 47 47 MET CE C 16.932 . 1 441 47 47 MET N N 122.111 . 1 442 48 48 LEU H H 7.515 . 1 443 48 48 LEU HA H 4.430 . 1 444 48 48 LEU HB2 H 1.939 . 2 445 48 48 LEU HB3 H 1.862 . 2 446 48 48 LEU HG H 1.939 . 1 447 48 48 LEU HD1 H 0.889 . 2 448 48 48 LEU HD2 H 0.932 . 2 449 48 48 LEU C C 177.213 . 1 450 48 48 LEU CA C 54.529 . 1 451 48 48 LEU CB C 41.839 . 1 452 48 48 LEU CG C 26.471 . 1 453 48 48 LEU CD1 C 23.117 . 2 454 48 48 LEU CD2 C 26.224 . 2 455 48 48 LEU N N 117.552 . 1 456 49 49 GLY H H 7.849 . 1 457 49 49 GLY HA2 H 3.812 . 2 458 49 49 GLY HA3 H 4.245 . 2 459 49 49 GLY C C 174.350 . 1 460 49 49 GLY CA C 45.716 . 1 461 49 49 GLY N N 107.258 . 1 462 50 50 GLN H H 8.003 . 1 463 50 50 GLN HA H 4.523 . 1 464 50 50 GLN HB2 H 1.658 . 2 465 50 50 GLN HG2 H 2.199 . 2 466 50 50 GLN HE21 H 7.246 . 2 467 50 50 GLN HE22 H 6.766 . 2 468 50 50 GLN C C 174.096 . 1 469 50 50 GLN CA C 54.177 . 1 470 50 50 GLN CB C 31.065 . 1 471 50 50 GLN CG C 33.651 . 1 472 50 50 GLN N N 118.223 . 1 473 50 50 GLN NE2 N 111.695 . 1 474 51 51 ASN H H 8.640 . 1 475 51 51 ASN HA H 5.140 . 1 476 51 51 ASN HB2 H 2.782 . 2 477 51 51 ASN HB3 H 2.531 . 2 478 51 51 ASN HD21 H 7.453 . 2 479 51 51 ASN HD22 H 6.697 . 2 480 51 51 ASN CA C 51.168 . 1 481 51 51 ASN CB C 39.228 . 1 482 51 51 ASN N N 116.680 . 1 483 51 51 ASN ND2 N 111.912 . 1 484 52 52 PRO HA H 4.771 . 1 485 52 52 PRO HB2 H 1.938 . 2 486 52 52 PRO HB3 H 2.213 . 2 487 52 52 PRO HG2 H 1.922 . 2 488 52 52 PRO HG3 H 1.848 . 2 489 52 52 PRO HD2 H 3.609 . 2 490 52 52 PRO HD3 H 3.326 . 2 491 52 52 PRO C C 177.111 . 1 492 52 52 PRO CA C 62.312 . 1 493 52 52 PRO CB C 31.882 . 1 494 52 52 PRO CG C 27.604 . 1 495 52 52 PRO CD C 49.876 . 1 496 53 53 THR H H 8.870 . 1 497 53 53 THR HA H 4.442 . 1 498 53 53 THR HB H 4.798 . 1 499 53 53 THR HG2 H 1.379 . 1 500 53 53 THR C C 173.625 . 1 501 53 53 THR CA C 60.617 . 1 502 53 53 THR CB C 68.166 . 1 503 53 53 THR CG2 C 22.043 . 1 504 53 53 THR N N 113.857 . 1 505 54 54 PRO HA H 4.188 . 1 506 54 54 PRO HB2 H 1.935 . 2 507 54 54 PRO HB3 H 2.439 . 2 508 54 54 PRO HG2 H 2.261 . 2 509 54 54 PRO HG3 H 2.031 . 2 510 54 54 PRO HD2 H 3.937 . 2 511 54 54 PRO C C 179.503 . 1 512 54 54 PRO CA C 66.148 . 1 513 54 54 PRO CB C 31.783 . 1 514 54 54 PRO CG C 28.079 . 1 515 54 54 PRO CD C 50.221 . 1 516 55 55 GLU H H 8.714 . 1 517 55 55 GLU HA H 4.032 . 1 518 55 55 GLU HB2 H 2.020 . 2 519 55 55 GLU HG2 H 2.346 . 2 520 55 55 GLU C C 179.362 . 1 521 55 55 GLU CA C 60.451 . 1 522 55 55 GLU CB C 28.838 . 1 523 55 55 GLU CG C 36.893 . 1 524 55 55 GLU N N 117.123 . 1 525 56 56 GLU H H 7.753 . 1 526 56 56 GLU HA H 3.989 . 1 527 56 56 GLU HB2 H 1.888 . 2 528 56 56 GLU HB3 H 2.025 . 2 529 56 56 GLU HG2 H 2.317 . 2 530 56 56 GLU C C 179.646 . 1 531 56 56 GLU CA C 59.127 . 1 532 56 56 GLU CB C 28.960 . 1 533 56 56 GLU CG C 37.435 . 1 534 56 56 GLU N N 121.370 . 1 535 57 57 LEU H H 8.155 . 1 536 57 57 LEU HA H 4.042 . 1 537 57 57 LEU HB2 H 1.825 . 2 538 57 57 LEU C C 178.761 . 1 539 57 57 LEU CA C 57.793 . 1 540 57 57 LEU CB C 41.492 . 1 541 57 57 LEU N N 118.929 . 1 542 58 58 GLN H H 7.976 . 1 543 58 58 GLN HA H 3.756 . 1 544 58 58 GLN HB2 H 2.131 . 2 545 58 58 GLN HG2 H 2.466 . 2 546 58 58 GLN HG3 H 2.385 . 2 547 58 58 GLN HE21 H 6.569 . 2 548 58 58 GLN HE22 H 7.919 . 2 549 58 58 GLN C C 177.702 . 1 550 58 58 GLN CA C 58.252 . 1 551 58 58 GLN CB C 28.447 . 1 552 58 58 GLN CG C 33.595 . 1 553 58 58 GLN N N 117.761 . 1 554 58 58 GLN NE2 N 114.427 . 1 555 59 59 GLU H H 7.866 . 1 556 59 59 GLU HA H 4.046 . 1 557 59 59 GLU HB2 H 2.112 . 2 558 59 59 GLU HG2 H 2.449 . 2 559 59 59 GLU C C 178.630 . 1 560 59 59 GLU CA C 59.541 . 1 561 59 59 GLU CB C 29.336 . 1 562 59 59 GLU CG C 36.119 . 1 563 59 59 GLU N N 118.924 . 1 564 60 60 MET H H 7.671 . 1 565 60 60 MET HA H 4.176 . 1 566 60 60 MET HB2 H 2.212 . 2 567 60 60 MET HB3 H 1.939 . 2 568 60 60 MET HG2 H 2.756 . 2 569 60 60 MET HG3 H 2.475 . 2 570 60 60 MET C C 178.527 . 1 571 60 60 MET CA C 59.391 . 1 572 60 60 MET CB C 33.710 . 1 573 60 60 MET CG C 32.662 . 1 574 60 60 MET N N 117.407 . 1 575 61 61 ILE H H 7.365 . 1 576 61 61 ILE HA H 3.378 . 1 577 61 61 ILE HB H 1.936 . 1 578 61 61 ILE HG12 H 1.223 . 2 579 61 61 ILE HG13 H 1.692 . 2 580 61 61 ILE HG2 H 0.735 . 1 581 61 61 ILE HD1 H 0.724 . 1 582 61 61 ILE C C 177.497 . 1 583 61 61 ILE CA C 64.900 . 1 584 61 61 ILE CB C 37.630 . 1 585 61 61 ILE CG1 C 28.631 . 1 586 61 61 ILE CG2 C 16.114 . 1 587 61 61 ILE CD1 C 13.326 . 1 588 61 61 ILE N N 118.186 . 1 589 62 62 ASP H H 8.640 . 1 590 62 62 ASP HA H 4.305 . 1 591 62 62 ASP HB2 H 2.724 . 2 592 62 62 ASP C C 178.389 . 1 593 62 62 ASP CA C 57.584 . 1 594 62 62 ASP CB C 40.531 . 1 595 62 62 ASP N N 119.280 . 1 596 63 63 GLU H H 7.535 . 1 597 63 63 GLU HA H 4.073 . 1 598 63 63 GLU HB2 H 2.054 . 2 599 63 63 GLU HG2 H 2.496 . 2 600 63 63 GLU HG3 H 2.310 . 2 601 63 63 GLU C C 177.731 . 1 602 63 63 GLU CA C 58.658 . 1 603 63 63 GLU CB C 30.510 . 1 604 63 63 GLU CG C 36.312 . 1 605 63 63 GLU N N 115.698 . 1 606 64 64 VAL HA H 4.453 . 1 607 64 64 VAL HB H 2.440 . 1 608 64 64 VAL HG1 H 0.907 . 2 609 64 64 VAL HG2 H 0.812 . 2 610 64 64 VAL CA C 61.370 . 1 611 64 64 VAL CB C 32.412 . 1 612 64 64 VAL CG1 C 20.222 . 2 613 64 64 VAL CG2 C 21.560 . 2 614 65 65 ASP HA H 4.667 . 1 615 65 65 ASP C C 176.907 . 1 616 65 65 ASP CA C 53.494 . 1 617 66 66 GLU H H 8.583 . 1 618 66 66 GLU HA H 4.169 . 1 619 66 66 GLU HB2 H 2.116 . 2 620 66 66 GLU HG2 H 2.339 . 2 621 66 66 GLU C C 177.059 . 1 622 66 66 GLU CA C 58.593 . 1 623 66 66 GLU CB C 30.688 . 1 624 66 66 GLU CG C 36.434 . 1 625 66 66 GLU N N 127.984 . 1 626 67 67 ASP H H 8.002 . 1 627 67 67 ASP HA H 4.701 . 1 628 67 67 ASP HB2 H 2.749 . 2 629 67 67 ASP HB3 H 3.123 . 2 630 67 67 ASP C C 177.536 . 1 631 67 67 ASP CA C 52.389 . 1 632 67 67 ASP CB C 40.315 . 1 633 67 67 ASP N N 114.528 . 1 634 68 68 GLY H H 7.740 . 1 635 68 68 GLY HA2 H 3.814 . 2 636 68 68 GLY C C 175.196 . 1 637 68 68 GLY CA C 47.046 . 1 638 68 68 GLY N N 108.822 . 1 639 69 69 SER H H 8.452 . 1 640 69 69 SER HA H 4.226 . 1 641 69 69 SER HB2 H 3.966 . 2 642 69 69 SER C C 175.999 . 1 643 69 69 SER CA C 60.209 . 1 644 69 69 SER CB C 64.729 . 1 645 69 69 SER N N 116.288 . 1 646 70 70 GLY H H 10.780 . 1 647 70 70 GLY HA2 H 3.535 . 2 648 70 70 GLY HA3 H 4.209 . 2 649 70 70 GLY C C 172.665 . 1 650 70 70 GLY CA C 45.789 . 1 651 70 70 GLY N N 116.293 . 1 652 71 71 THR H H 7.657 . 1 653 71 71 THR HA H 4.953 . 1 654 71 71 THR HB H 3.941 . 1 655 71 71 THR HG2 H 1.074 . 1 656 71 71 THR C C 173.292 . 1 657 71 71 THR CA C 58.205 . 1 658 71 71 THR CB C 73.343 . 1 659 71 71 THR CG2 C 22.355 . 1 660 71 71 THR N N 107.660 . 1 661 72 72 VAL H H 9.723 . 1 662 72 72 VAL HA H 5.062 . 1 663 72 72 VAL HB H 2.186 . 1 664 72 72 VAL HG1 H 0.881 . 2 665 72 72 VAL HG2 H 1.217 . 2 666 72 72 VAL C C 175.207 . 1 667 72 72 VAL CA C 61.320 . 1 668 72 72 VAL CB C 33.701 . 1 669 72 72 VAL CG1 C 22.814 . 2 670 72 72 VAL CG2 C 21.724 . 2 671 72 72 VAL N N 127.147 . 1 672 73 73 ASP H H 8.824 . 1 673 73 73 ASP HA H 5.143 . 1 674 73 73 ASP HB2 H 2.705 . 2 675 73 73 ASP HB3 H 3.274 . 2 676 73 73 ASP C C 175.793 . 1 677 73 73 ASP CA C 52.311 . 1 678 73 73 ASP CB C 41.444 . 1 679 73 73 ASP N N 128.722 . 1 680 74 74 PHE H H 8.572 . 1 681 74 74 PHE HA H 3.409 . 1 682 74 74 PHE HB2 H 2.558 . 2 683 74 74 PHE HB3 H 2.301 . 2 684 74 74 PHE HD1 H 6.716 . 3 685 74 74 PHE C C 176.097 . 1 686 74 74 PHE CA C 61.487 . 1 687 74 74 PHE CB C 38.550 . 1 688 74 74 PHE N N 118.362 . 1 689 75 75 ASP H H 7.657 . 1 690 75 75 ASP HA H 3.977 . 1 691 75 75 ASP HB2 H 2.731 . 2 692 75 75 ASP HB3 H 2.644 . 2 693 75 75 ASP C C 179.488 . 1 694 75 75 ASP CA C 58.046 . 1 695 75 75 ASP CB C 40.545 . 1 696 75 75 ASP N N 117.426 . 1 697 76 76 GLU H H 8.182 . 1 698 76 76 GLU HA H 4.030 . 1 699 76 76 GLU HB2 H 2.525 . 2 700 76 76 GLU HG2 H 2.863 . 2 701 76 76 GLU HG3 H 2.531 . 2 702 76 76 GLU C C 178.881 . 1 703 76 76 GLU CA C 58.394 . 1 704 76 76 GLU CB C 32.093 . 1 705 76 76 GLU CG C 36.590 . 1 706 76 76 GLU N N 120.233 . 1 707 77 77 PHE H H 8.960 . 1 708 77 77 PHE HA H 3.948 . 1 709 77 77 PHE HB2 H 3.227 . 2 710 77 77 PHE HB3 H 3.115 . 2 711 77 77 PHE HD1 H 6.995 . 3 712 77 77 PHE C C 177.015 . 1 713 77 77 PHE CA C 60.814 . 1 714 77 77 PHE CB C 39.743 . 1 715 77 77 PHE N N 122.996 . 1 716 78 78 LEU H H 7.944 . 1 717 78 78 LEU HA H 3.341 . 1 718 78 78 LEU HB2 H 1.809 . 2 719 78 78 LEU HB3 H 1.072 . 2 720 78 78 LEU HG H 1.506 . 1 721 78 78 LEU HD1 H 1.012 . 2 722 78 78 LEU HD2 H 0.662 . 2 723 78 78 LEU C C 178.633 . 1 724 78 78 LEU CA C 58.001 . 1 725 78 78 LEU CB C 41.474 . 1 726 78 78 LEU CD1 C 23.280 . 2 727 78 78 LEU CD2 C 23.970 . 2 728 78 78 LEU N N 118.643 . 1 729 79 79 VAL H H 6.945 . 1 730 79 79 VAL HA H 3.261 . 1 731 79 79 VAL HB H 2.250 . 1 732 79 79 VAL HG1 H 0.996 . 2 733 79 79 VAL HG2 H 0.692 . 2 734 79 79 VAL C C 177.402 . 1 735 79 79 VAL CA C 66.797 . 1 736 79 79 VAL CB C 30.846 . 1 737 79 79 VAL CG1 C 23.232 . 2 738 79 79 VAL CG2 C 21.787 . 2 739 79 79 VAL N N 118.026 . 1 740 80 80 MET H H 7.922 . 1 741 80 80 MET HA H 3.607 . 1 742 80 80 MET HB2 H 2.189 . 2 743 80 80 MET HB3 H 2.002 . 2 744 80 80 MET HG2 H 2.476 . 2 745 80 80 MET HG3 H 2.132 . 2 746 80 80 MET HE H 2.008 . 1 747 80 80 MET C C 178.682 . 1 748 80 80 MET CA C 59.250 . 1 749 80 80 MET CB C 33.419 . 1 750 80 80 MET CG C 32.011 . 1 751 80 80 MET CE C 17.266 . 1 752 80 80 MET N N 119.968 . 1 753 81 81 MET H H 8.089 . 1 754 81 81 MET HA H 4.063 . 1 755 81 81 MET HB2 H 1.106 . 2 756 81 81 MET HB3 H 1.045 . 2 757 81 81 MET HG2 H 1.488 . 2 758 81 81 MET HG3 H 1.272 . 2 759 81 81 MET HE H 1.512 . 1 760 81 81 MET C C 179.220 . 1 761 81 81 MET CA C 56.375 . 1 762 81 81 MET CB C 31.915 . 1 763 81 81 MET CG C 32.141 . 1 764 81 81 MET CE C 18.267 . 1 765 81 81 MET N N 117.292 . 1 766 82 82 VAL H H 8.229 . 1 767 82 82 VAL HA H 3.926 . 1 768 82 82 VAL HB H 2.191 . 1 769 82 82 VAL HG1 H 1.001 . 2 770 82 82 VAL HG2 H 1.114 . 2 771 82 82 VAL C C 178.954 . 1 772 82 82 VAL CA C 65.991 . 1 773 82 82 VAL CB C 31.267 . 1 774 82 82 VAL CG1 C 23.745 . 2 775 82 82 VAL CG2 C 22.157 . 2 776 82 82 VAL N N 118.235 . 1 777 83 83 ARG H H 8.234 . 1 778 83 83 ARG HA H 3.845 . 1 779 83 83 ARG HB2 H 1.559 . 2 780 83 83 ARG HB3 H 1.666 . 2 781 83 83 ARG HG2 H 1.413 . 2 782 83 83 ARG HG3 H 1.083 . 2 783 83 83 ARG HD2 H 2.723 . 2 784 83 83 ARG C C 178.071 . 1 785 83 83 ARG CA C 59.060 . 1 786 83 83 ARG CB C 30.028 . 1 787 83 83 ARG CG C 27.616 . 1 788 83 83 ARG CD C 43.357 . 1 789 83 83 ARG N N 120.282 . 1 790 84 84 SER H H 7.540 . 1 791 84 84 SER HA H 4.375 . 1 792 84 84 SER HB2 H 3.975 . 2 793 84 84 SER C C 175.502 . 1 794 84 84 SER CA C 60.382 . 1 795 84 84 SER CB C 63.475 . 1 796 84 84 SER N N 113.310 . 1 797 85 85 MET H H 7.782 . 1 798 85 85 MET HA H 4.373 . 1 799 85 85 MET HB2 H 2.142 . 2 800 85 85 MET HB3 H 2.242 . 2 801 85 85 MET HG2 H 2.633 . 2 802 85 85 MET HG3 H 2.818 . 2 803 85 85 MET HE H 2.132 . 1 804 85 85 MET C C 176.830 . 1 805 85 85 MET CA C 57.378 . 1 806 85 85 MET CB C 33.756 . 1 807 85 85 MET CG C 32.310 . 1 808 85 85 MET CE C 16.906 . 1 809 85 85 MET N N 120.514 . 1 810 86 86 LYS H H 7.882 . 1 811 86 86 LYS HA H 4.350 . 1 812 86 86 LYS HB2 H 1.886 . 2 813 86 86 LYS HB3 H 1.830 . 2 814 86 86 LYS HG2 H 1.504 . 2 815 86 86 LYS HG3 H 1.442 . 2 816 86 86 LYS HD2 H 1.707 . 2 817 86 86 LYS HE2 H 3.000 . 2 818 86 86 LYS C C 176.517 . 1 819 86 86 LYS CA C 56.525 . 1 820 86 86 LYS CB C 32.929 . 1 821 86 86 LYS CG C 24.715 . 1 822 86 86 LYS CD C 28.873 . 1 823 86 86 LYS CE C 41.946 . 1 824 86 86 LYS N N 119.978 . 1 825 87 87 ASP H H 8.201 . 1 826 87 87 ASP HA H 4.675 . 1 827 87 87 ASP HB2 H 2.737 . 2 828 87 87 ASP C C 176.422 . 1 829 87 87 ASP CA C 54.751 . 1 830 87 87 ASP CB C 41.146 . 1 831 87 87 ASP N N 121.592 . 1 832 88 88 ASP H H 8.265 . 1 833 88 88 ASP HA H 4.659 . 1 834 88 88 ASP HB2 H 2.724 . 2 835 88 88 ASP C C 176.719 . 1 836 88 88 ASP CA C 54.742 . 1 837 88 88 ASP CB C 41.258 . 1 838 88 88 ASP N N 121.813 . 1 839 89 89 SER H H 8.227 . 1 840 89 89 SER HA H 4.393 . 1 841 89 89 SER HB2 H 3.914 . 2 842 89 89 SER C C 174.933 . 1 843 89 89 SER CA C 59.176 . 1 844 89 89 SER CB C 63.534 . 1 845 89 89 SER N N 115.909 . 1 846 90 90 LYS H H 8.132 . 1 847 90 90 LYS HA H 4.352 . 1 848 90 90 LYS HB2 H 1.886 . 2 849 90 90 LYS HB3 H 1.828 . 2 850 90 90 LYS HG2 H 1.504 . 2 851 90 90 LYS HG3 H 1.442 . 2 852 90 90 LYS HD2 H 1.707 . 2 853 90 90 LYS HE2 H 3.007 . 2 854 90 90 LYS C C 177.141 . 1 855 90 90 LYS CA C 56.696 . 1 856 90 90 LYS CB C 32.981 . 1 857 90 90 LYS CG C 24.770 . 1 858 90 90 LYS CD C 28.873 . 1 859 90 90 LYS CE C 41.901 . 1 860 90 90 LYS N N 122.664 . 1 861 91 91 GLY H H 8.338 . 1 862 91 91 GLY HA2 H 3.950 . 2 863 91 91 GLY C C 174.109 . 1 864 91 91 GLY CA C 45.193 . 1 865 91 91 GLY N N 109.270 . 1 866 92 92 LYS H H 8.297 . 1 867 92 92 LYS HA H 4.419 . 1 868 92 92 LYS HB2 H 1.865 . 2 869 92 92 LYS HB3 H 1.809 . 2 870 92 92 LYS HG2 H 1.492 . 2 871 92 92 LYS HD2 H 1.690 . 2 872 92 92 LYS HE2 H 3.000 . 2 873 92 92 LYS C C 176.916 . 1 874 92 92 LYS CA C 56.306 . 1 875 92 92 LYS CB C 33.312 . 1 876 92 92 LYS CG C 25.168 . 1 877 92 92 LYS CD C 28.805 . 1 878 92 92 LYS CE C 41.840 . 1 879 92 92 LYS N N 120.853 . 1 880 93 93 SER H H 8.601 . 1 881 93 93 SER HA H 4.476 . 1 882 93 93 SER HB2 H 4.159 . 2 883 93 93 SER HB3 H 4.012 . 2 884 93 93 SER C C 175.088 . 1 885 93 93 SER CA C 58.411 . 1 886 93 93 SER CB C 64.184 . 1 887 93 93 SER N N 117.097 . 1 888 94 94 GLU H H 8.708 . 1 889 94 94 GLU HA H 4.136 . 1 890 94 94 GLU HB2 H 2.092 . 2 891 94 94 GLU HG2 H 2.363 . 2 892 94 94 GLU C C 177.826 . 1 893 94 94 GLU CA C 58.982 . 1 894 94 94 GLU CB C 29.341 . 1 895 94 94 GLU CG C 36.818 . 1 896 94 94 GLU N N 122.298 . 1 897 95 95 GLU H H 8.468 . 1 898 95 95 GLU HA H 4.161 . 1 899 95 95 GLU HB2 H 2.048 . 2 900 95 95 GLU HG2 H 2.319 . 2 901 95 95 GLU C C 178.098 . 1 902 95 95 GLU CA C 58.898 . 1 903 95 95 GLU CB C 29.525 . 1 904 95 95 GLU CG C 36.453 . 1 905 95 95 GLU N N 119.788 . 1 906 96 96 GLU H H 8.141 . 1 907 96 96 GLU HA H 4.313 . 1 908 96 96 GLU HB2 H 2.090 . 2 909 96 96 GLU HG2 H 2.349 . 2 910 96 96 GLU C C 178.992 . 1 911 96 96 GLU CA C 58.628 . 1 912 96 96 GLU CB C 29.670 . 1 913 96 96 GLU CG C 36.353 . 1 914 96 96 GLU N N 120.461 . 1 915 97 97 LEU H H 8.421 . 1 916 97 97 LEU HA H 4.324 . 1 917 97 97 LEU HB2 H 1.647 . 2 918 97 97 LEU HB3 H 2.095 . 2 919 97 97 LEU HG H 1.836 . 1 920 97 97 LEU HD1 H 0.889 . 2 921 97 97 LEU HD2 H 0.847 . 2 922 97 97 LEU C C 179.017 . 1 923 97 97 LEU CA C 58.287 . 1 924 97 97 LEU CB C 41.858 . 1 925 97 97 LEU CG C 27.564 . 1 926 97 97 LEU CD1 C 23.417 . 2 927 97 97 LEU CD2 C 26.028 . 2 928 97 97 LEU N N 119.834 . 1 929 98 98 SER H H 8.502 . 1 930 98 98 SER HA H 4.293 . 1 931 98 98 SER HB2 H 4.050 . 2 932 98 98 SER C C 177.049 . 1 933 98 98 SER CA C 62.183 . 1 934 98 98 SER CB C 62.735 . 1 935 98 98 SER N N 115.481 . 1 936 99 99 ASP H H 7.659 . 1 937 99 99 ASP HA H 4.658 . 1 938 99 99 ASP HB2 H 2.857 . 2 939 99 99 ASP C C 178.088 . 1 940 99 99 ASP CA C 57.408 . 1 941 99 99 ASP CB C 41.090 . 1 942 99 99 ASP N N 121.684 . 1 943 100 100 LEU H H 8.121 . 1 944 100 100 LEU HA H 4.149 . 1 945 100 100 LEU HB2 H 2.320 . 2 946 100 100 LEU HB3 H 1.680 . 2 947 100 100 LEU HG H 2.133 . 1 948 100 100 LEU HD1 H 1.103 . 2 949 100 100 LEU HD2 H 0.975 . 2 950 100 100 LEU C C 179.404 . 1 951 100 100 LEU CA C 58.070 . 1 952 100 100 LEU CB C 41.676 . 1 953 100 100 LEU CG C 26.767 . 1 954 100 100 LEU CD1 C 26.305 . 2 955 100 100 LEU CD2 C 23.443 . 2 956 100 100 LEU N N 118.203 . 1 957 101 101 PHE H H 8.652 . 1 958 101 101 PHE HA H 3.196 . 1 959 101 101 PHE HB2 H 2.913 . 2 960 101 101 PHE HD1 H 6.425 . 3 961 101 101 PHE HE1 H 6.876 . 3 962 101 101 PHE C C 177.333 . 1 963 101 101 PHE CA C 62.297 . 1 964 101 101 PHE CB C 39.247 . 1 965 101 101 PHE N N 120.182 . 1 966 102 102 ARG H H 7.518 . 1 967 102 102 ARG HA H 3.978 . 1 968 102 102 ARG HB2 H 1.739 . 2 969 102 102 ARG C C 177.592 . 1 970 102 102 ARG CA C 59.048 . 1 971 102 102 ARG CB C 31.394 . 1 972 102 102 ARG N N 115.497 . 1 973 103 103 MET H H 7.595 . 1 974 103 103 MET HA H 4.349 . 1 975 103 103 MET HG2 H 2.686 . 2 976 103 103 MET HE H 2.019 . 1 977 103 103 MET C C 177.393 . 1 978 103 103 MET CA C 56.069 . 1 979 103 103 MET CG C 32.500 . 1 980 103 103 MET CE C 19.840 . 1 981 103 103 MET N N 114.285 . 1 982 104 104 PHE H H 7.358 . 1 983 104 104 PHE HA H 4.294 . 1 984 104 104 PHE HD1 H 7.452 . 3 985 104 104 PHE C C 176.639 . 1 986 104 104 PHE CA C 59.416 . 1 987 104 104 PHE N N 115.115 . 1 988 105 105 ASP H H 7.297 . 1 989 105 105 ASP HA H 4.445 . 1 990 105 105 ASP HB2 H 1.455 . 2 991 105 105 ASP HB3 H 2.369 . 2 992 105 105 ASP C C 176.684 . 1 993 105 105 ASP CA C 52.292 . 1 994 105 105 ASP CB C 38.966 . 1 995 105 105 ASP N N 116.701 . 1 996 106 106 LYS H H 7.516 . 1 997 106 106 LYS HA H 4.027 . 1 998 106 106 LYS HB2 H 1.894 . 2 999 106 106 LYS HG2 H 1.515 . 2 1000 106 106 LYS HE2 H 3.002 . 2 1001 106 106 LYS C C 178.120 . 1 1002 106 106 LYS CA C 58.229 . 1 1003 106 106 LYS CB C 32.764 . 1 1004 106 106 LYS CG C 24.930 . 1 1005 106 106 LYS CE C 41.920 . 1 1006 106 106 LYS N N 124.209 . 1 1007 107 107 ASN H H 8.040 . 1 1008 107 107 ASN HA H 4.731 . 1 1009 107 107 ASN HB2 H 2.879 . 2 1010 107 107 ASN HB3 H 3.306 . 2 1011 107 107 ASN C C 174.439 . 1 1012 107 107 ASN CA C 51.781 . 1 1013 107 107 ASN CB C 36.902 . 1 1014 107 107 ASN N N 113.548 . 1 1015 108 108 ALA H H 7.797 . 1 1016 108 108 ALA HA H 4.093 . 1 1017 108 108 ALA HB H 1.379 . 1 1018 108 108 ALA C C 176.594 . 1 1019 108 108 ALA CA C 53.169 . 1 1020 108 108 ALA CB C 17.021 . 1 1021 108 108 ALA N N 121.192 . 1 1022 109 109 ASP H H 8.531 . 1 1023 109 109 ASP HA H 4.704 . 1 1024 109 109 ASP HB2 H 3.216 . 2 1025 109 109 ASP HB3 H 2.458 . 2 1026 109 109 ASP C C 177.429 . 1 1027 109 109 ASP CA C 53.393 . 1 1028 109 109 ASP CB C 41.007 . 1 1029 109 109 ASP N N 118.259 . 1 1030 110 110 GLY H H 10.364 . 1 1031 110 110 GLY HA2 H 3.450 . 2 1032 110 110 GLY HA3 H 4.062 . 2 1033 110 110 GLY C C 172.489 . 1 1034 110 110 GLY CA C 44.885 . 1 1035 110 110 GLY N N 111.944 . 1 1036 111 111 TYR H H 8.003 . 1 1037 111 111 TYR HA H 5.198 . 1 1038 111 111 TYR HB2 H 2.574 . 2 1039 111 111 TYR HB3 H 2.734 . 2 1040 111 111 TYR HD1 H 6.734 . 3 1041 111 111 TYR C C 174.825 . 1 1042 111 111 TYR CA C 56.103 . 1 1043 111 111 TYR CB C 42.940 . 1 1044 111 111 TYR N N 115.595 . 1 1045 112 112 ILE H H 9.832 . 1 1046 112 112 ILE HA H 4.780 . 1 1047 112 112 ILE HB H 1.888 . 1 1048 112 112 ILE HG12 H 1.300 . 2 1049 112 112 ILE HG2 H 0.961 . 1 1050 112 112 ILE HD1 H 0.267 . 1 1051 112 112 ILE C C 175.753 . 1 1052 112 112 ILE CA C 60.576 . 1 1053 112 112 ILE CB C 38.929 . 1 1054 112 112 ILE CG1 C 26.868 . 1 1055 112 112 ILE CG2 C 17.281 . 1 1056 112 112 ILE CD1 C 15.447 . 1 1057 112 112 ILE N N 125.660 . 1 1058 113 113 ASP H H 9.020 . 1 1059 113 113 ASP HA H 4.990 . 1 1060 113 113 ASP HB2 H 3.365 . 2 1061 113 113 ASP HB3 H 2.516 . 2 1062 113 113 ASP C C 175.594 . 1 1063 113 113 ASP CA C 51.955 . 1 1064 113 113 ASP CB C 42.142 . 1 1065 113 113 ASP N N 128.290 . 1 1066 114 114 LEU H H 8.499 . 1 1067 114 114 LEU HA H 3.997 . 1 1068 114 114 LEU HB2 H 1.753 . 2 1069 114 114 LEU HG H 1.698 . 1 1070 114 114 LEU HD1 H 0.943 . 2 1071 114 114 LEU HD2 H 0.981 . 2 1072 114 114 LEU C C 178.788 . 1 1073 114 114 LEU CA C 58.930 . 1 1074 114 114 LEU CB C 42.665 . 1 1075 114 114 LEU CG C 27.293 . 1 1076 114 114 LEU CD1 C 25.342 . 2 1077 114 114 LEU CD2 C 24.610 . 2 1078 114 114 LEU N N 118.688 . 1 1079 115 115 ASP H H 7.908 . 1 1080 115 115 ASP HA H 4.381 . 1 1081 115 115 ASP HB2 H 2.816 . 2 1082 115 115 ASP HB3 H 2.663 . 2 1083 115 115 ASP C C 179.167 . 1 1084 115 115 ASP CA C 57.851 . 1 1085 115 115 ASP CB C 40.481 . 1 1086 115 115 ASP N N 118.146 . 1 1087 116 116 GLU H H 8.605 . 1 1088 116 116 GLU HA H 3.981 . 1 1089 116 116 GLU HB2 H 1.884 . 2 1090 116 116 GLU HB3 H 2.369 . 2 1091 116 116 GLU HG2 H 2.339 . 2 1092 116 116 GLU C C 179.778 . 1 1093 116 116 GLU CA C 59.309 . 1 1094 116 116 GLU CB C 29.969 . 1 1095 116 116 GLU CG C 36.434 . 1 1096 116 116 GLU N N 121.323 . 1 1097 117 117 LEU H H 8.562 . 1 1098 117 117 LEU HA H 4.106 . 1 1099 117 117 LEU HB2 H 2.103 . 2 1100 117 117 LEU HB3 H 1.475 . 2 1101 117 117 LEU C C 178.540 . 1 1102 117 117 LEU CA C 58.431 . 1 1103 117 117 LEU CB C 41.906 . 1 1104 117 117 LEU N N 121.083 . 1 1105 118 118 LYS H H 8.581 . 1 1106 118 118 LYS HA H 3.845 . 1 1107 118 118 LYS HB2 H 2.023 . 2 1108 118 118 LYS HB3 H 2.125 . 2 1109 118 118 LYS HG2 H 1.593 . 2 1110 118 118 LYS HD2 H 1.767 . 2 1111 118 118 LYS C C 178.505 . 1 1112 118 118 LYS CA C 61.269 . 1 1113 118 118 LYS CB C 32.568 . 1 1114 118 118 LYS CG C 25.000 . 1 1115 118 118 LYS CD C 29.506 . 1 1116 118 118 LYS N N 118.726 . 1 1117 119 119 ILE H H 8.162 . 1 1118 119 119 ILE HA H 3.816 . 1 1119 119 119 ILE HB H 1.974 . 1 1120 119 119 ILE HG12 H 1.767 . 2 1121 119 119 ILE HG13 H 1.269 . 2 1122 119 119 ILE HG2 H 0.963 . 1 1123 119 119 ILE HD1 H 0.893 . 1 1124 119 119 ILE C C 179.027 . 1 1125 119 119 ILE CA C 64.979 . 1 1126 119 119 ILE CB C 38.233 . 1 1127 119 119 ILE CG1 C 29.409 . 1 1128 119 119 ILE CG2 C 17.352 . 1 1129 119 119 ILE CD1 C 13.354 . 1 1130 119 119 ILE N N 119.149 . 1 1131 120 120 MET H H 7.505 . 1 1132 120 120 MET HA H 4.221 . 1 1133 120 120 MET HB2 H 2.056 . 2 1134 120 120 MET HG2 H 2.451 . 2 1135 120 120 MET HG3 H 2.765 . 2 1136 120 120 MET C C 177.948 . 1 1137 120 120 MET CA C 57.170 . 1 1138 120 120 MET CB C 31.609 . 1 1139 120 120 MET CG C 32.677 . 1 1140 120 120 MET N N 119.334 . 1 1141 121 121 LEU H H 8.457 . 1 1142 121 121 LEU HA H 4.094 . 1 1143 121 121 LEU HB2 H 1.472 . 2 1144 121 121 LEU HB3 H 2.086 . 2 1145 121 121 LEU HD1 H 0.902 . 2 1146 121 121 LEU C C 180.594 . 1 1147 121 121 LEU CA C 57.448 . 1 1148 121 121 LEU CB C 41.862 . 1 1149 121 121 LEU CD1 C 23.910 . 2 1150 121 121 LEU N N 117.699 . 1 1151 122 122 GLN H H 8.804 . 1 1152 122 122 GLN HA H 4.133 . 1 1153 122 122 GLN HB2 H 2.167 . 2 1154 122 122 GLN HB3 H 2.279 . 2 1155 122 122 GLN HG2 H 2.609 . 2 1156 122 122 GLN HG3 H 2.443 . 2 1157 122 122 GLN C C 178.310 . 1 1158 122 122 GLN CA C 58.622 . 1 1159 122 122 GLN CB C 28.111 . 1 1160 122 122 GLN CG C 34.388 . 1 1161 122 122 GLN N N 120.671 . 1 1162 123 123 ALA H H 7.584 . 1 1163 123 123 ALA HA H 4.316 . 1 1164 123 123 ALA HB H 1.620 . 1 1165 123 123 ALA C C 178.395 . 1 1166 123 123 ALA CA C 53.686 . 1 1167 123 123 ALA CB C 18.449 . 1 1168 123 123 ALA N N 121.218 . 1 1169 124 124 THR H H 7.488 . 1 1170 124 124 THR HA H 4.071 . 1 1171 124 124 THR HB H 4.341 . 1 1172 124 124 THR HG2 H 1.462 . 1 1173 124 124 THR C C 176.119 . 1 1174 124 124 THR CA C 64.053 . 1 1175 124 124 THR CB C 71.062 . 1 1176 124 124 THR CG2 C 21.534 . 1 1177 124 124 THR N N 106.617 . 1 1178 125 125 GLY H H 7.676 . 1 1179 125 125 GLY HA2 H 3.835 . 2 1180 125 125 GLY HA3 H 4.218 . 2 1181 125 125 GLY C C 174.046 . 1 1182 125 125 GLY CA C 45.643 . 1 1183 125 125 GLY N N 108.144 . 1 1184 126 126 GLU H H 7.519 . 1 1185 126 126 GLU HA H 4.346 . 1 1186 126 126 GLU HB2 H 1.716 . 2 1187 126 126 GLU HB3 H 1.894 . 2 1188 126 126 GLU HG2 H 2.047 . 2 1189 126 126 GLU HG3 H 2.156 . 2 1190 126 126 GLU C C 176.147 . 1 1191 126 126 GLU CA C 55.004 . 1 1192 126 126 GLU CB C 31.002 . 1 1193 126 126 GLU CG C 36.482 . 1 1194 126 126 GLU N N 120.123 . 1 1195 127 127 THR H H 8.605 . 1 1196 127 127 THR HA H 4.198 . 1 1197 127 127 THR HB H 4.089 . 1 1198 127 127 THR HG2 H 1.180 . 1 1199 127 127 THR C C 173.568 . 1 1200 127 127 THR CA C 63.357 . 1 1201 127 127 THR CB C 68.428 . 1 1202 127 127 THR CG2 C 21.628 . 1 1203 127 127 THR N N 119.711 . 1 1204 128 128 ILE H H 8.274 . 1 1205 128 128 ILE HA H 4.671 . 1 1206 128 128 ILE HB H 2.070 . 1 1207 128 128 ILE HG12 H 1.567 . 2 1208 128 128 ILE HG13 H 1.093 . 2 1209 128 128 ILE HG2 H 0.957 . 1 1210 128 128 ILE HD1 H 0.632 . 1 1211 128 128 ILE C C 176.558 . 1 1212 128 128 ILE CA C 57.778 . 1 1213 128 128 ILE CB C 38.595 . 1 1214 128 128 ILE CG1 C 25.702 . 1 1215 128 128 ILE CG2 C 18.463 . 1 1216 128 128 ILE CD1 C 11.475 . 1 1217 128 128 ILE N N 128.171 . 1 1218 129 129 THR H H 9.622 . 1 1219 129 129 THR HA H 4.767 . 1 1220 129 129 THR HB H 4.698 . 1 1221 129 129 THR HG2 H 1.272 . 1 1222 129 129 THR C C 175.509 . 1 1223 129 129 THR CA C 59.746 . 1 1224 129 129 THR CB C 72.225 . 1 1225 129 129 THR CG2 C 21.348 . 1 1226 129 129 THR N N 119.247 . 1 1227 130 130 GLU H H 8.895 . 1 1228 130 130 GLU HA H 3.974 . 1 1229 130 130 GLU HB2 H 2.068 . 2 1230 130 130 GLU HG2 H 2.366 . 2 1231 130 130 GLU C C 178.600 . 1 1232 130 130 GLU CA C 59.719 . 1 1233 130 130 GLU CB C 28.962 . 1 1234 130 130 GLU CG C 36.222 . 1 1235 130 130 GLU N N 119.821 . 1 1236 131 131 ASP H H 7.831 . 1 1237 131 131 ASP HA H 4.399 . 1 1238 131 131 ASP HB2 H 2.484 . 2 1239 131 131 ASP C C 177.602 . 1 1240 131 131 ASP CA C 57.254 . 1 1241 131 131 ASP CB C 40.801 . 1 1242 131 131 ASP N N 117.421 . 1 1243 132 132 ASP H H 7.543 . 1 1244 132 132 ASP HA H 4.239 . 1 1245 132 132 ASP HB2 H 3.256 . 2 1246 132 132 ASP HB3 H 2.344 . 2 1247 132 132 ASP C C 177.639 . 1 1248 132 132 ASP CA C 58.182 . 1 1249 132 132 ASP CB C 42.053 . 1 1250 132 132 ASP N N 119.591 . 1 1251 133 133 ILE H H 7.176 . 1 1252 133 133 ILE HA H 3.379 . 1 1253 133 133 ILE HB H 1.888 . 1 1254 133 133 ILE HG12 H 1.771 . 2 1255 133 133 ILE HG2 H 0.935 . 1 1256 133 133 ILE HD1 H 0.899 . 1 1257 133 133 ILE C C 177.294 . 1 1258 133 133 ILE CA C 65.110 . 1 1259 133 133 ILE CB C 38.715 . 1 1260 133 133 ILE CG1 C 29.562 . 1 1261 133 133 ILE CG2 C 18.348 . 1 1262 133 133 ILE CD1 C 14.088 . 1 1263 133 133 ILE N N 116.440 . 1 1264 134 134 GLU H H 8.167 . 1 1265 134 134 GLU HA H 3.912 . 1 1266 134 134 GLU HB2 H 2.193 . 2 1267 134 134 GLU HG2 H 2.493 . 2 1268 134 134 GLU HG3 H 2.251 . 2 1269 134 134 GLU C C 179.782 . 1 1270 134 134 GLU CA C 59.497 . 1 1271 134 134 GLU CB C 29.679 . 1 1272 134 134 GLU CG C 36.106 . 1 1273 134 134 GLU N N 117.764 . 1 1274 135 135 GLU H H 8.428 . 1 1275 135 135 GLU HA H 4.239 . 1 1276 135 135 GLU HB2 H 2.132 . 2 1277 135 135 GLU HG2 H 2.316 . 2 1278 135 135 GLU HG3 H 2.488 . 2 1279 135 135 GLU C C 179.969 . 1 1280 135 135 GLU CA C 58.900 . 1 1281 135 135 GLU CB C 29.670 . 1 1282 135 135 GLU CG C 37.125 . 1 1283 135 135 GLU N N 116.485 . 1 1284 136 136 LEU H H 8.074 . 1 1285 136 136 LEU HA H 4.275 . 1 1286 136 136 LEU HB2 H 2.177 . 2 1287 136 136 LEU HB3 H 1.620 . 2 1288 136 136 LEU HD1 H 1.011 . 2 1289 136 136 LEU C C 178.458 . 1 1290 136 136 LEU CA C 58.527 . 1 1291 136 136 LEU CB C 41.891 . 1 1292 136 136 LEU CD1 C 24.406 . 2 1293 136 136 LEU N N 120.700 . 1 1294 137 137 MET H H 8.173 . 1 1295 137 137 MET HA H 4.317 . 1 1296 137 137 MET HG2 H 2.634 . 2 1297 137 137 MET HG3 H 2.487 . 2 1298 137 137 MET HE H 1.906 . 1 1299 137 137 MET C C 177.861 . 1 1300 137 137 MET CA C 57.587 . 1 1301 137 137 MET CG C 32.183 . 1 1302 137 137 MET CE C 16.783 . 1 1303 137 137 MET N N 117.994 . 1 1304 138 138 LYS H H 8.065 . 1 1305 138 138 LYS HA H 4.046 . 1 1306 138 138 LYS HB2 H 1.897 . 2 1307 138 138 LYS HG2 H 1.661 . 2 1308 138 138 LYS HG3 H 1.533 . 2 1309 138 138 LYS HE2 H 2.981 . 2 1310 138 138 LYS C C 178.326 . 1 1311 138 138 LYS CA C 58.977 . 1 1312 138 138 LYS CB C 32.509 . 1 1313 138 138 LYS CG C 25.430 . 1 1314 138 138 LYS CE C 42.046 . 1 1315 138 138 LYS N N 117.365 . 1 1316 139 139 ASP H H 7.653 . 1 1317 139 139 ASP HA H 4.393 . 1 1318 139 139 ASP HB2 H 2.796 . 2 1319 139 139 ASP HB3 H 3.146 . 2 1320 139 139 ASP C C 177.556 . 1 1321 139 139 ASP CA C 56.710 . 1 1322 139 139 ASP CB C 43.369 . 1 1323 139 139 ASP N N 117.259 . 1 1324 140 140 GLY H H 7.900 . 1 1325 140 140 GLY HA2 H 4.050 . 2 1326 140 140 GLY HA3 H 2.851 . 2 1327 140 140 GLY C C 174.123 . 1 1328 140 140 GLY CA C 46.155 . 1 1329 140 140 GLY N N 101.711 . 1 1330 141 141 ASP H H 8.501 . 1 1331 141 141 ASP HA H 4.607 . 1 1332 141 141 ASP HB2 H 2.311 . 2 1333 141 141 ASP HB3 H 2.939 . 2 1334 141 141 ASP C C 176.497 . 1 1335 141 141 ASP CA C 53.313 . 1 1336 141 141 ASP CB C 39.503 . 1 1337 141 141 ASP N N 120.437 . 1 1338 142 142 LYS H H 7.790 . 1 1339 142 142 LYS HA H 4.145 . 1 1340 142 142 LYS HB2 H 1.854 . 2 1341 142 142 LYS HG2 H 1.559 . 2 1342 142 142 LYS HD2 H 1.715 . 2 1343 142 142 LYS HE2 H 2.998 . 2 1344 142 142 LYS C C 177.776 . 1 1345 142 142 LYS CA C 57.656 . 1 1346 142 142 LYS CB C 32.961 . 1 1347 142 142 LYS CG C 24.749 . 1 1348 142 142 LYS CD C 29.711 . 1 1349 142 142 LYS CE C 41.984 . 1 1350 142 142 LYS N N 125.787 . 1 1351 143 143 ASN H H 8.127 . 1 1352 143 143 ASN HA H 4.816 . 1 1353 143 143 ASN HB2 H 3.324 . 2 1354 143 143 ASN HB3 H 2.858 . 2 1355 143 143 ASN HD21 H 7.856 . 2 1356 143 143 ASN HD22 H 6.579 . 2 1357 143 143 ASN C C 175.040 . 1 1358 143 143 ASN CA C 51.556 . 1 1359 143 143 ASN CB C 37.082 . 1 1360 143 143 ASN N N 113.617 . 1 1361 143 143 ASN ND2 N 112.536 . 1 1362 144 144 ASN H H 7.743 . 1 1363 144 144 ASN HA H 4.515 . 1 1364 144 144 ASN HB2 H 2.651 . 2 1365 144 144 ASN HB3 H 3.090 . 2 1366 144 144 ASN HD21 H 7.399 . 2 1367 144 144 ASN HD22 H 6.662 . 2 1368 144 144 ASN C C 174.577 . 1 1369 144 144 ASN CA C 54.909 . 1 1370 144 144 ASN CB C 37.783 . 1 1371 144 144 ASN N N 115.678 . 1 1372 144 144 ASN ND2 N 111.744 . 1 1373 145 145 ASP H H 8.678 . 1 1374 145 145 ASP HA H 4.720 . 1 1375 145 145 ASP HB2 H 3.025 . 2 1376 145 145 ASP HB3 H 2.408 . 2 1377 145 145 ASP C C 177.909 . 1 1378 145 145 ASP CA C 53.047 . 1 1379 145 145 ASP CB C 40.933 . 1 1380 145 145 ASP N N 118.296 . 1 1381 146 146 GLY H H 10.287 . 1 1382 146 146 GLY HA2 H 4.069 . 2 1383 146 146 GLY HA3 H 3.473 . 2 1384 146 146 GLY C C 172.995 . 1 1385 146 146 GLY CA C 45.764 . 1 1386 146 146 GLY N N 112.697 . 1 1387 147 147 ARG H H 7.693 . 1 1388 147 147 ARG HA H 4.920 . 1 1389 147 147 ARG HB2 H 1.547 . 2 1390 147 147 ARG HG2 H 1.271 . 2 1391 147 147 ARG HG3 H 1.334 . 2 1392 147 147 ARG HD2 H 2.533 . 2 1393 147 147 ARG HD3 H 2.289 . 2 1394 147 147 ARG C C 175.071 . 1 1395 147 147 ARG CA C 53.902 . 1 1396 147 147 ARG CB C 34.306 . 1 1397 147 147 ARG CG C 25.794 . 1 1398 147 147 ARG CD C 42.966 . 1 1399 147 147 ARG N N 115.518 . 1 1400 148 148 ILE H H 9.415 . 1 1401 148 148 ILE HA H 5.077 . 1 1402 148 148 ILE HB H 1.821 . 1 1403 148 148 ILE HG12 H 1.621 . 2 1404 148 148 ILE HG2 H 0.963 . 1 1405 148 148 ILE HD1 H 0.374 . 1 1406 148 148 ILE CA C 60.666 . 1 1407 148 148 ILE CB C 39.956 . 1 1408 148 148 ILE CG1 C 28.232 . 1 1409 148 148 ILE CG2 C 17.246 . 1 1410 148 148 ILE CD1 C 13.337 . 1 1411 148 148 ILE N N 126.007 . 1 1412 149 149 ASP H H 9.395 . 1 1413 149 149 ASP HA H 5.193 . 1 1414 149 149 ASP HB2 H 3.275 . 2 1415 149 149 ASP HB3 H 2.805 . 2 1416 149 149 ASP C C 175.405 . 1 1417 149 149 ASP CA C 52.586 . 1 1418 149 149 ASP CB C 41.844 . 1 1419 149 149 ASP N N 129.221 . 1 1420 150 150 TYR H H 8.408 . 1 1421 150 150 TYR HA H 3.400 . 1 1422 150 150 TYR HB2 H 2.136 . 2 1423 150 150 TYR HB3 H 2.456 . 2 1424 150 150 TYR HD1 H 6.353 . 3 1425 150 150 TYR C C 176.196 . 1 1426 150 150 TYR CA C 62.209 . 1 1427 150 150 TYR CB C 38.058 . 1 1428 150 150 TYR N N 118.645 . 1 1429 151 151 ASP H H 7.731 . 1 1430 151 151 ASP HA H 4.093 . 1 1431 151 151 ASP HB2 H 2.644 . 2 1432 151 151 ASP HB3 H 2.510 . 2 1433 151 151 ASP C C 180.671 . 1 1434 151 151 ASP CA C 57.977 . 1 1435 151 151 ASP CB C 40.596 . 1 1436 151 151 ASP N N 117.950 . 1 1437 152 152 GLU H H 8.857 . 1 1438 152 152 GLU HA H 4.050 . 1 1439 152 152 GLU HB2 H 2.489 . 2 1440 152 152 GLU HB3 H 2.426 . 2 1441 152 152 GLU C C 180.235 . 1 1442 152 152 GLU CA C 58.732 . 1 1443 152 152 GLU CB C 29.404 . 1 1444 152 152 GLU N N 120.297 . 1 1445 153 153 PHE H H 9.276 . 1 1446 153 153 PHE HA H 4.036 . 1 1447 153 153 PHE HB2 H 3.446 . 2 1448 153 153 PHE HB3 H 3.174 . 2 1449 153 153 PHE HD1 H 6.883 . 3 1450 153 153 PHE C C 176.042 . 1 1451 153 153 PHE CA C 61.773 . 1 1452 153 153 PHE CB C 39.804 . 1 1453 153 153 PHE N N 124.959 . 1 1454 154 154 LEU H H 7.841 . 1 1455 154 154 LEU HA H 3.686 . 1 1456 154 154 LEU HB2 H 1.813 . 2 1457 154 154 LEU HB3 H 1.300 . 2 1458 154 154 LEU HG H 1.419 . 1 1459 154 154 LEU HD1 H 0.741 . 2 1460 154 154 LEU HD2 H 0.875 . 2 1461 154 154 LEU C C 179.615 . 1 1462 154 154 LEU CA C 58.073 . 1 1463 154 154 LEU CB C 41.472 . 1 1464 154 154 LEU CG C 26.267 . 1 1465 154 154 LEU CD1 C 23.170 . 2 1466 154 154 LEU CD2 C 26.013 . 2 1467 154 154 LEU N N 117.557 . 1 1468 155 155 GLU H H 6.926 . 1 1469 155 155 GLU HA H 4.056 . 1 1470 155 155 GLU HB2 H 2.084 . 2 1471 155 155 GLU HG2 H 2.340 . 2 1472 155 155 GLU C C 178.437 . 1 1473 155 155 GLU CA C 58.645 . 1 1474 155 155 GLU CB C 29.863 . 1 1475 155 155 GLU CG C 36.022 . 1 1476 155 155 GLU N N 116.176 . 1 1477 156 156 PHE H H 8.578 . 1 1478 156 156 PHE HA H 4.585 . 1 1479 156 156 PHE HB2 H 3.295 . 2 1480 156 156 PHE HD1 H 7.119 . 3 1481 156 156 PHE C C 176.431 . 1 1482 156 156 PHE CA C 58.983 . 1 1483 156 156 PHE CB C 40.654 . 1 1484 156 156 PHE N N 122.168 . 1 1485 157 157 MET H H 7.457 . 1 1486 157 157 MET HA H 4.358 . 1 1487 157 157 MET HB2 H 1.947 . 2 1488 157 157 MET HB3 H 1.886 . 2 1489 157 157 MET HG2 H 2.440 . 2 1490 157 157 MET HE H 1.930 . 1 1491 157 157 MET C C 175.965 . 1 1492 157 157 MET CA C 52.951 . 1 1493 157 157 MET CB C 32.955 . 1 1494 157 157 MET CG C 31.767 . 1 1495 157 157 MET CE C 17.547 . 1 1496 157 157 MET N N 111.893 . 1 1497 158 158 LYS H H 7.150 . 1 1498 158 158 LYS HA H 4.001 . 1 1499 158 158 LYS HB2 H 1.989 . 2 1500 158 158 LYS HB3 H 1.783 . 2 1501 158 158 LYS HG2 H 1.461 . 2 1502 158 158 LYS HE2 H 2.973 . 2 1503 158 158 LYS C C 177.764 . 1 1504 158 158 LYS CA C 58.563 . 1 1505 158 158 LYS CB C 32.129 . 1 1506 158 158 LYS CG C 24.562 . 1 1507 158 158 LYS CE C 42.170 . 1 1508 158 158 LYS N N 123.442 . 1 1509 159 159 GLY H H 8.729 . 1 1510 159 159 GLY HA2 H 3.714 . 2 1511 159 159 GLY HA3 H 4.009 . 2 1512 159 159 GLY C C 173.635 . 1 1513 159 159 GLY CA C 45.390 . 1 1514 159 159 GLY N N 112.710 . 1 1515 160 160 VAL H H 7.427 . 1 1516 160 160 VAL HA H 3.818 . 1 1517 160 160 VAL HB H 1.983 . 1 1518 160 160 VAL HG1 H 0.688 . 2 1519 160 160 VAL HG2 H 0.867 . 2 1520 160 160 VAL C C 174.643 . 1 1521 160 160 VAL CA C 63.044 . 1 1522 160 160 VAL CB C 31.907 . 1 1523 160 160 VAL CG1 C 21.919 . 2 1524 160 160 VAL CG2 C 22.016 . 2 1525 160 160 VAL N N 120.788 . 1 1526 161 161 GLU H H 7.819 . 1 1527 161 161 GLU HA H 4.139 . 1 1528 161 161 GLU HB2 H 1.932 . 2 1529 161 161 GLU HB3 H 2.106 . 2 1530 161 161 GLU HG2 H 2.163 . 2 1531 161 161 GLU C C 180.349 . 1 1532 161 161 GLU CA C 57.754 . 1 1533 161 161 GLU CB C 29.193 . 1 1534 161 161 GLU CG C 36.401 . 1 1535 161 161 GLU N N 129.478 . 1 stop_ save_