data_30529 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the cNTnC-cTnI chimera bound to calcium desensitizer W7 ; _BMRB_accession_number 30529 _BMRB_flat_file_name bmr30529.str _Entry_type original _Submission_date 2018-10-24 _Accession_date 2018-10-24 _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 Cai F. . . 2 Hwang P. M. . 3 Sykes B. D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 664 "13C chemical shifts" 391 "15N chemical shifts" 114 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-07-09 update BMRB 'update entry citation' 2018-11-06 original author 'original release' stop_ _Original_release_date 2018-11-05 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Changes Induced by the Binding of the Calcium Desensitizer W7 to Cardiac Troponin. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30376637 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cai F. . . 2 Hwang P. M. . 3 Sykes B. D. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 57 _Journal_issue 46 _Journal_ASTM BICHAW _Journal_ISSN 1520-4995 _Journal_CSD 0033 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6461 _Page_last 6469 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Troponin C, slow skeletal and cardiac muscles,Troponin I, cardiac muscle' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_CA entity_3 $entity_WW7 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 14186.127 _Mol_thiol_state 'not present' _Details ; 1-90 are from cardiac troponin C 1-90; 91-118 are from cardiac troponin I 136-163; 119-125 are histag GHHHHHH. ; ############################## # Polymer residue sequence # ############################## _Residue_count 125 _Mol_residue_sequence ; MDDIYKAAVEQLTEEQKNEF KAAFDIFVLGAEDGSISTKE LGKVMRMLGQNPTPEELQEM IDEVDEDGSGTVDFDEFLVM MVRSMKDDSKGKFKRPTLRR VRISADAMMQALLGARAKGH HHHHH ; 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 91 136 GLY 92 137 LYS 93 138 PHE 94 139 LYS 95 140 ARG 96 141 PRO 97 142 THR 98 143 LEU 99 144 ARG 100 145 ARG 101 146 VAL 102 147 ARG 103 148 ILE 104 149 SER 105 150 ALA 106 151 ASP 107 152 ALA 108 153 MET 109 154 MET 110 155 GLN 111 156 ALA 112 157 LEU 113 158 LEU 114 159 GLY 115 160 ALA 116 161 ARG 117 162 ALA 118 163 LYS 119 164 GLY 120 165 HIS 121 166 HIS 122 167 HIS 123 168 HIS 124 169 HIS 125 170 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_CA (CALCIUM ION)" _BMRB_code CA _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . 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_ save_WW7 _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_WW7 (N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE)" _BMRB_code WW7 _PDB_code WW7 _Molecular_mass 340.868 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons S1 S1 S . 0 . ? O1 O1 O . 0 . ? O2 O2 O . 0 . ? N1 N1 N . 0 . ? C4 C4 C . 0 . ? C3 C3 C . 0 . ? C2 C2 C . 0 . ? C1 C1 C . 0 . ? C9 C9 C . 0 . ? C10 C10 C . 0 . ? CL1 CL1 CL . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? C8 C8 C . 0 . ? C11 C11 C . 0 . ? C12 C12 C . 0 . ? C14 C14 C . 0 . ? C13 C13 C . 0 . ? C15 C15 C . 0 . ? C16 C16 C . 0 . ? N2 N2 N . 0 . ? HN1 HN1 H . 0 . ? H4 H4 H . 0 . ? H3 H3 H . 0 . ? H2 H2 H . 0 . ? H6 H6 H . 0 . ? H7 H7 H . 0 . ? H8 H8 H . 0 . ? H111 H111 H . 0 . ? H112 H112 H . 0 . ? H121 H121 H . 0 . ? H122 H122 H . 0 . ? H141 H141 H . 0 . ? H142 H142 H . 0 . ? H131 H131 H . 0 . ? H132 H132 H . 0 . ? H151 H151 H . 0 . ? H152 H152 H . 0 . ? H161 H161 H . 0 . ? H162 H162 H . 0 . ? HN21 HN21 H . 0 . ? HN22 HN22 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 DOUB S1 O1 ? ? DOUB S1 O2 ? ? SING S1 N1 ? ? SING S1 C1 ? ? SING N1 C11 ? ? SING N1 HN1 ? ? DOUB C4 C3 ? ? SING C4 C10 ? ? SING C4 H4 ? ? SING C3 C2 ? ? SING C3 H3 ? ? DOUB C2 C1 ? ? SING C2 H2 ? ? SING C1 C9 ? ? DOUB C9 C10 ? ? SING C9 C8 ? ? SING C10 C5 ? ? SING CL1 C5 ? ? DOUB C5 C6 ? ? SING C6 C7 ? ? SING C6 H6 ? ? DOUB C7 C8 ? ? SING C7 H7 ? ? SING C8 H8 ? ? SING C11 C12 ? ? SING C11 H111 ? ? SING C11 H112 ? ? SING C12 C13 ? ? SING C12 H121 ? ? SING C12 H122 ? ? SING C14 C13 ? ? SING C14 C15 ? ? SING C14 H141 ? ? SING C14 H142 ? ? SING C13 H131 ? ? SING C13 H132 ? ? SING C15 C16 ? ? SING C15 H151 ? ? SING C15 H152 ? ? SING C16 N2 ? ? SING C16 H161 ? ? SING C16 H162 ? ? SING N2 HN21 ? ? SING N2 HN22 ? ? 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 _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'TNNC1, TNNC, TNNI3' 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 $entity_1 'recombinant technology' . . . BL21(DE3) . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.5 mM [U-15N] cChimera_protein, 100 mM potassium chloride, 10 mM imidazole, 10 mM calcium chloride, 0.25 mM [U-99% 2H] DSS, 2.5 mM WW7, 1 % [U-99% 2H] DMSO, 95% H2O/5% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM [U-15N] 'potassium chloride' 100 mM 'natural abundance' imidazole 10 mM 'natural abundance' 'calcium chloride' 10 mM 'natural abundance' DSS 0.25 mM '[U-99% 2H]' WW7 2.5 mM 'natural abundance' DMSO 1 % '[U-99% 2H]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; 0.5 mM [U-13C; U-15N] cChimera_protein, 100 mM potassium chloride, 10 mM imidazole, 10 mM calcium chloride, 0.25 mM [U-99% 2H] DSS, 2.5 mM WW7, 1 % [U-99% 2H] DMSO, 100% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-13C; U-15N]' 'potassium chloride' 100 mM 'natural abundance' imidazole 10 mM 'natural abundance' 'calcium chloride' 10 mM 'natural abundance' DSS 0.25 mM '[U-99% 2H]' WW7 2.5 mM 'natural abundance' DMSO 1 % '[U-99% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _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_software_3 _Saveframe_category software _Name NMRViewJ _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name ARIA2 _Version . loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_2D_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label $sample_2 save_ save_2D_13C,15N-double-filtered_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C,15N-double-filtered NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '2D TOCSY' '2D 13C,15N-double-filtered NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 1 1 MET HA H 4.1100 0.0000 1 2 1 1 MET HB2 H 2.1310 0.0000 2 3 1 1 MET HB3 H 2.1310 0.0000 2 4 1 1 MET HG2 H 2.6180 0.0000 2 5 1 1 MET HG3 H 2.5450 0.0000 2 6 1 1 MET HE H 2.0600 0.0000 1 7 1 1 MET CA C 54.8300 0.0000 1 8 1 1 MET CB C 33.3600 0.0000 1 9 1 1 MET CG C 30.8000 0.0000 1 10 1 1 MET CE C 16.7600 0.0000 1 11 2 2 ASP HA H 4.6250 0.0000 1 12 2 2 ASP HB2 H 2.7000 0.0000 2 13 2 2 ASP HB3 H 2.6600 0.0000 2 14 2 2 ASP CA C 54.7000 0.0000 1 15 2 2 ASP CB C 41.7000 0.0000 1 16 3 3 ASP H H 8.5200 0.0000 1 17 3 3 ASP HA H 4.4600 0.0000 1 18 3 3 ASP HB2 H 2.6500 0.0000 2 19 3 3 ASP HB3 H 2.7000 0.0000 2 20 3 3 ASP CA C 55.9200 0.0000 1 21 3 3 ASP CB C 41.1000 0.0000 1 22 3 3 ASP N N 122.5700 0.0000 1 23 4 4 ILE H H 8.2120 0.0000 1 24 4 4 ILE HA H 3.9100 0.0000 1 25 4 4 ILE HB H 1.6760 0.0000 1 26 4 4 ILE HG12 H 0.9650 0.0000 2 27 4 4 ILE HG13 H 0.9650 0.0000 2 28 4 4 ILE HG2 H 0.5840 0.0000 1 29 4 4 ILE HD1 H 0.6900 0.0000 1 30 4 4 ILE CA C 63.5000 0.0000 1 31 4 4 ILE CB C 37.7000 0.0000 1 32 4 4 ILE CG1 C 27.1400 0.0000 1 33 4 4 ILE CG2 C 17.1500 0.0000 1 34 4 4 ILE CD1 C 13.3500 0.0000 1 35 4 4 ILE N N 119.5600 0.0000 1 36 5 5 TYR H H 7.6830 0.0000 1 37 5 5 TYR HA H 4.4180 0.0000 1 38 5 5 TYR HB2 H 3.0800 0.0000 2 39 5 5 TYR HB3 H 2.9000 0.0000 2 40 5 5 TYR HD1 H 7.0480 0.0000 1 41 5 5 TYR HD2 H 7.0200 0.0000 3 42 5 5 TYR HE1 H 6.7900 0.0000 3 43 5 5 TYR CA C 59.7100 0.0000 1 44 5 5 TYR CB C 37.9000 0.0000 1 45 5 5 TYR CD1 C 132.5400 0.0000 1 46 5 5 TYR CE1 C 118.6300 0.0000 1 47 5 5 TYR N N 121.0000 0.0000 1 48 6 6 LYS H H 7.9150 0.0000 1 49 6 6 LYS HA H 3.9700 0.0000 1 50 6 6 LYS HB2 H 1.9800 0.0000 2 51 6 6 LYS HB3 H 1.9800 0.0000 2 52 6 6 LYS HG2 H 1.3600 0.0000 2 53 6 6 LYS HG3 H 1.6100 0.0000 2 54 6 6 LYS HD2 H 1.7100 0.0000 2 55 6 6 LYS HD3 H 1.7280 0.0000 1 56 6 6 LYS HE2 H 2.9900 0.0000 2 57 6 6 LYS HE3 H 2.9900 0.0000 2 58 6 6 LYS CA C 59.3000 0.0000 1 59 6 6 LYS CB C 32.3000 0.0000 1 60 6 6 LYS CG C 25.1000 0.0000 1 61 6 6 LYS CD C 29.2100 0.0000 1 62 6 6 LYS CE C 41.8500 0.0000 1 63 6 6 LYS N N 121.0000 0.0000 1 64 7 7 ALA H H 7.9100 0.0000 1 65 7 7 ALA HA H 4.1500 0.0000 1 66 7 7 ALA HB H 1.3950 0.0000 1 67 7 7 ALA CA C 54.4500 0.0000 1 68 7 7 ALA CB C 18.0200 0.0000 1 69 7 7 ALA N N 120.3000 0.0000 1 70 8 8 ALA H H 7.5070 0.0000 1 71 8 8 ALA HA H 4.1600 0.0000 1 72 8 8 ALA HB H 1.5100 0.0000 1 73 8 8 ALA CA C 54.5000 0.0000 1 74 8 8 ALA CB C 18.4000 0.0000 1 75 8 8 ALA N N 119.9250 0.0000 1 76 9 9 VAL H H 8.0450 0.0000 1 77 9 9 VAL HA H 3.6050 0.0000 1 78 9 9 VAL HB H 2.1700 0.0000 1 79 9 9 VAL HG1 H 0.9100 0.0000 1 80 9 9 VAL HG2 H 0.9600 0.0000 1 81 9 9 VAL CA C 65.8200 0.0000 1 82 9 9 VAL CB C 31.7000 0.0000 1 83 9 9 VAL CG1 C 21.9100 0.0000 1 84 9 9 VAL CG2 C 23.1600 0.0000 1 85 9 9 VAL N N 118.5000 0.0000 1 86 10 10 GLU H H 7.8560 0.0000 1 87 10 10 GLU HA H 4.1150 0.0000 1 88 10 10 GLU HB2 H 2.1300 0.0000 2 89 10 10 GLU HB3 H 2.1300 0.0000 2 90 10 10 GLU HG2 H 2.4400 0.0000 2 91 10 10 GLU HG3 H 2.3200 0.0000 2 92 10 10 GLU CA C 58.2000 0.0000 1 93 10 10 GLU CB C 29.4600 0.0000 1 94 10 10 GLU CG C 36.6000 0.0000 1 95 10 10 GLU N N 118.9100 0.0000 1 96 11 11 GLN H H 7.3850 0.0000 1 97 11 11 GLN HA H 4.2880 0.0000 1 98 11 11 GLN HB2 H 2.3100 0.0000 2 99 11 11 GLN HB3 H 2.0600 0.0000 2 100 11 11 GLN HG2 H 2.4800 0.0000 2 101 11 11 GLN HG3 H 2.4800 0.0000 2 102 11 11 GLN CA C 55.5600 0.0000 1 103 11 11 GLN CB C 29.2800 0.0000 1 104 11 11 GLN CG C 34.0800 0.0000 1 105 11 11 GLN N N 115.0400 0.0000 1 106 12 12 LEU H H 7.3800 0.0000 1 107 12 12 LEU HA H 4.5270 0.0000 1 108 12 12 LEU HB2 H 1.4500 0.0000 2 109 12 12 LEU HB3 H 1.9200 0.0000 2 110 12 12 LEU HG H 2.1200 0.0000 1 111 12 12 LEU HD1 H 0.9550 0.0000 1 112 12 12 LEU HD2 H 0.9050 0.0000 1 113 12 12 LEU CA C 54.8700 0.0000 1 114 12 12 LEU CB C 43.1000 0.0000 1 115 12 12 LEU CG C 26.4000 0.0000 1 116 12 12 LEU CD1 C 27.2000 0.0000 1 117 12 12 LEU CD2 C 23.2000 0.0000 1 118 12 12 LEU N N 120.6600 0.0000 1 119 13 13 THR H H 8.8150 0.0000 1 120 13 13 THR HA H 4.4360 0.0000 1 121 13 13 THR HB H 4.8100 0.0000 1 122 13 13 THR HG2 H 1.3850 0.0000 1 123 13 13 THR CA C 60.5500 0.0000 1 124 13 13 THR CB C 70.8700 0.0000 1 125 13 13 THR CG2 C 21.8800 0.0000 1 126 13 13 THR N N 113.6400 0.0000 1 127 14 14 GLU H H 8.9800 0.0000 1 128 14 14 GLU HA H 3.9700 0.0000 1 129 14 14 GLU HB2 H 2.0500 0.0000 2 130 14 14 GLU HB3 H 2.0500 0.0000 2 131 14 14 GLU HG2 H 2.3860 0.0000 2 132 14 14 GLU HG3 H 2.3470 0.0000 2 133 14 14 GLU CA C 59.8000 0.0000 1 134 14 14 GLU CB C 29.6000 0.0000 1 135 14 14 GLU CG C 36.1750 0.0000 1 136 14 14 GLU N N 121.8000 0.0000 1 137 15 15 GLU H H 8.5450 0.0000 1 138 15 15 GLU HA H 4.0500 0.0000 1 139 15 15 GLU HB2 H 1.9200 0.0000 2 140 15 15 GLU HB3 H 1.9200 0.0000 2 141 15 15 GLU HG2 H 2.3000 0.0000 2 142 15 15 GLU HG3 H 2.3000 0.0000 2 143 15 15 GLU CA C 60.0000 0.0000 1 144 15 15 GLU CB C 29.1600 0.0000 1 145 15 15 GLU CG C 36.8000 0.0000 1 146 15 15 GLU N N 117.7000 0.0000 1 147 16 16 GLN H H 7.7950 0.0000 1 148 16 16 GLN HA H 3.8660 0.0000 1 149 16 16 GLN HB2 H 2.3500 0.0000 2 150 16 16 GLN HB3 H 1.6600 0.0000 2 151 16 16 GLN HG2 H 2.3400 0.0000 2 152 16 16 GLN HG3 H 2.2400 0.0000 2 153 16 16 GLN CA C 58.6000 0.0000 1 154 16 16 GLN CB C 29.6000 0.0000 1 155 16 16 GLN CG C 34.8600 0.0000 1 156 16 16 GLN N N 119.2500 0.0000 1 157 17 17 LYS H H 8.5060 0.0000 1 158 17 17 LYS HA H 3.9830 0.0000 1 159 17 17 LYS HB2 H 2.0000 0.0000 2 160 17 17 LYS HB3 H 2.0000 0.0000 2 161 17 17 LYS HG2 H 1.4700 0.0000 2 162 17 17 LYS HG3 H 1.7100 0.0000 2 163 17 17 LYS HD2 H 2.9600 0.0000 2 164 17 17 LYS HD3 H 2.8700 0.0000 2 165 17 17 LYS HE2 H 1.7600 0.0000 2 166 17 17 LYS HE3 H 1.7600 0.0000 2 167 17 17 LYS CA C 61.4800 0.0000 1 168 17 17 LYS CB C 32.1700 0.0000 1 169 17 17 LYS CG C 27.1100 0.0000 1 170 17 17 LYS CD C 41.8200 0.0000 1 171 17 17 LYS CE C 41.7000 0.0000 1 172 17 17 LYS N N 118.9100 0.0000 1 173 18 18 ASN H H 8.5200 0.0000 1 174 18 18 ASN HA H 4.5500 0.0000 1 175 18 18 ASN HB2 H 2.8000 0.0000 2 176 18 18 ASN HB3 H 2.9900 0.0000 2 177 18 18 ASN CA C 55.7800 0.0000 1 178 18 18 ASN CB C 37.7200 0.0000 1 179 18 18 ASN N N 117.6000 0.0000 1 180 19 19 GLU H H 8.0200 0.0000 1 181 19 19 GLU HA H 4.1700 0.0000 1 182 19 19 GLU HB2 H 1.9200 0.0000 2 183 19 19 GLU HB3 H 2.0500 0.0000 2 184 19 19 GLU HG2 H 2.1870 0.0000 2 185 19 19 GLU HG3 H 2.3800 0.0000 2 186 19 19 GLU CA C 59.5000 0.0000 1 187 19 19 GLU CB C 29.3200 0.0000 1 188 19 19 GLU CG C 36.6200 0.0000 1 189 19 19 GLU N N 123.4000 0.0000 1 190 20 20 PHE H H 8.3400 0.0000 1 191 20 20 PHE HA H 4.9000 0.0000 1 192 20 20 PHE HB2 H 3.4600 0.0000 2 193 20 20 PHE HB3 H 3.4600 0.0000 2 194 20 20 PHE HD1 H 7.2050 0.0000 3 195 20 20 PHE HE1 H 7.1870 0.0000 3 196 20 20 PHE CA C 59.7400 0.0000 1 197 20 20 PHE CB C 37.9500 0.0000 1 198 20 20 PHE CD1 C 130.8120 0.0000 3 199 20 20 PHE CE1 C 130.8200 0.0000 3 200 20 20 PHE N N 117.6500 0.0000 1 201 21 21 LYS H H 8.8550 0.0000 1 202 21 21 LYS HA H 4.0110 0.0000 1 203 21 21 LYS HB2 H 2.0500 0.0000 2 204 21 21 LYS HB3 H 1.7700 0.0000 2 205 21 21 LYS HG2 H 1.1800 0.0000 2 206 21 21 LYS HG3 H 1.1800 0.0000 2 207 21 21 LYS HD2 H 1.4700 0.0000 2 208 21 21 LYS HD3 H 0.4600 0.0000 2 209 21 21 LYS HE2 H 2.7100 0.0000 2 210 21 21 LYS HE3 H 2.6500 0.0000 2 211 21 21 LYS CA C 58.6000 0.0000 1 212 21 21 LYS CB C 31.7000 0.0000 1 213 21 21 LYS CG C 24.3000 0.0000 1 214 21 21 LYS CD C 27.0000 0.0000 1 215 21 21 LYS CE C 41.9500 0.0000 1 216 21 21 LYS N N 122.2000 0.0000 1 217 22 22 ALA H H 7.9000 0.0000 1 218 22 22 ALA HA H 4.1900 0.0000 1 219 22 22 ALA HB H 1.5400 0.0000 1 220 22 22 ALA CA C 54.8800 0.0000 1 221 22 22 ALA CB C 17.7000 0.0000 1 222 22 22 ALA N N 121.3400 0.0000 1 223 23 23 ALA H H 7.9350 0.0000 1 224 23 23 ALA HA H 4.0900 0.0000 1 225 23 23 ALA HB H 1.8300 0.0000 1 226 23 23 ALA CA C 55.1000 0.0000 1 227 23 23 ALA CB C 18.8100 0.0000 1 228 23 23 ALA N N 119.0300 0.0000 1 229 24 24 PHE H H 8.7500 0.0000 1 230 24 24 PHE HA H 3.4550 0.0000 1 231 24 24 PHE HB2 H 3.1600 0.0000 2 232 24 24 PHE HB3 H 2.8000 0.0000 2 233 24 24 PHE HD1 H 7.1600 0.0000 3 234 24 24 PHE HE1 H 7.5600 0.0000 3 235 24 24 PHE CA C 62.3500 0.0000 1 236 24 24 PHE CB C 39.8000 0.0000 1 237 24 24 PHE CD1 C 131.5700 0.0000 1 238 24 24 PHE CE1 C 130.4700 0.0000 1 239 24 24 PHE N N 120.8000 0.0000 1 240 25 25 ASP H H 8.6600 0.0000 1 241 25 25 ASP HA H 4.2600 0.0000 1 242 25 25 ASP HB2 H 2.4950 0.0000 2 243 25 25 ASP HB3 H 2.7770 0.0000 2 244 25 25 ASP CA C 56.8000 0.0000 1 245 25 25 ASP CB C 39.9500 0.0000 1 246 25 25 ASP N N 116.9000 0.0000 1 247 26 26 ILE H H 7.2850 0.0000 1 248 26 26 ILE HA H 3.7600 0.0000 1 249 26 26 ILE HB H 2.0100 0.0000 1 250 26 26 ILE HG12 H 1.2130 0.0000 2 251 26 26 ILE HG13 H 1.7100 0.0000 2 252 26 26 ILE HG2 H 0.7770 0.0000 1 253 26 26 ILE HD1 H 0.7930 0.0000 1 254 26 26 ILE CA C 63.7200 0.0000 1 255 26 26 ILE CB C 37.5500 0.0000 1 256 26 26 ILE CG1 C 28.7000 0.0000 1 257 26 26 ILE CG2 C 17.5700 0.0000 1 258 26 26 ILE CD1 C 13.0000 0.0000 1 259 26 26 ILE N N 119.3000 0.0000 1 260 27 27 PHE H H 8.0100 0.0000 1 261 27 27 PHE HA H 4.0500 0.0000 1 262 27 27 PHE HB2 H 3.1400 0.0000 2 263 27 27 PHE HB3 H 2.8000 0.0000 2 264 27 27 PHE HD1 H 7.2500 0.0000 3 265 27 27 PHE HE1 H 7.3300 0.0000 3 266 27 27 PHE HZ H 7.1700 0.0000 1 267 27 27 PHE CA C 60.1200 0.0000 1 268 27 27 PHE CB C 40.2200 0.0000 1 269 27 27 PHE CD1 C 131.6000 0.0000 1 270 27 27 PHE CE1 C 131.0500 0.0000 1 271 27 27 PHE CZ C 128.4000 0.0000 1 272 27 27 PHE N N 121.4000 0.0000 1 273 28 28 VAL H H 7.4750 0.0000 1 274 28 28 VAL HA H 4.0450 0.0000 1 275 28 28 VAL HB H 1.9800 0.0000 1 276 28 28 VAL HG1 H 0.0800 0.0000 1 277 28 28 VAL HG2 H 0.6290 0.0000 1 278 28 28 VAL CA C 61.2000 0.0000 1 279 28 28 VAL CB C 31.4500 0.0000 1 280 28 28 VAL CG1 C 21.7000 0.0000 1 281 28 28 VAL CG2 C 18.8600 0.0000 1 282 28 28 VAL N N 106.3000 0.0000 1 283 29 29 LEU H H 7.2340 0.0000 1 284 29 29 LEU HA H 4.0800 0.0000 1 285 29 29 LEU HB2 H 1.5900 0.0000 2 286 29 29 LEU HB3 H 1.7730 0.0000 2 287 29 29 LEU HG H 1.8000 0.0000 1 288 29 29 LEU HD1 H 0.9300 0.0000 1 289 29 29 LEU HD2 H 0.8730 0.0000 1 290 29 29 LEU CA C 57.1700 0.0000 1 291 29 29 LEU CB C 41.3100 0.0000 1 292 29 29 LEU CG C 26.4700 0.0000 1 293 29 29 LEU CD1 C 24.9000 0.0000 1 294 29 29 LEU CD2 C 24.2300 0.0000 1 295 29 29 LEU N N 125.5300 0.0000 1 296 30 30 GLY H H 8.8700 0.0000 1 297 30 30 GLY HA2 H 3.7400 0.0000 2 298 30 30 GLY HA3 H 4.0950 0.0000 2 299 30 30 GLY CA C 45.2670 0.0000 1 300 30 30 GLY N N 112.6000 0.0000 1 301 31 31 ALA H H 8.0300 0.0000 1 302 31 31 ALA HA H 4.4400 0.0000 1 303 31 31 ALA HB H 1.5100 0.0000 1 304 31 31 ALA CA C 52.0400 0.0000 1 305 31 31 ALA CB C 19.7000 0.0000 1 306 31 31 ALA N N 124.1600 0.0000 1 307 32 32 GLU H H 9.1400 0.0000 1 308 32 32 GLU HA H 4.0700 0.0000 1 309 32 32 GLU HB2 H 2.0310 0.0000 2 310 32 32 GLU HB3 H 2.0310 0.0000 2 311 32 32 GLU HG2 H 2.3100 0.0000 2 312 32 32 GLU HG3 H 2.3100 0.0000 2 313 32 32 GLU CA C 58.8700 0.0000 1 314 32 32 GLU CB C 29.7540 0.0000 1 315 32 32 GLU CG C 36.5300 0.0000 1 316 32 32 GLU N N 124.8000 0.0000 1 317 33 33 ASP H H 8.1600 0.0000 1 318 33 33 ASP HA H 4.7400 0.0000 1 319 33 33 ASP HB2 H 2.6200 0.0000 2 320 33 33 ASP HB3 H 2.9300 0.0000 2 321 33 33 ASP CA C 52.9900 0.0000 1 322 33 33 ASP CB C 41.2200 0.0000 1 323 33 33 ASP N N 115.9000 0.0000 1 324 34 34 GLY H H 7.6130 0.0000 1 325 34 34 GLY HA2 H 3.9700 0.0000 2 326 34 34 GLY HA3 H 3.9170 0.0000 2 327 34 34 GLY CA C 46.4400 0.0000 1 328 34 34 GLY N N 105.6400 0.0000 1 329 35 35 SER H H 7.6160 0.0000 1 330 35 35 SER HA H 4.9750 0.0000 1 331 35 35 SER HB2 H 3.5000 0.0000 2 332 35 35 SER HB3 H 3.6500 0.0000 2 333 35 35 SER CA C 57.2000 0.0000 1 334 35 35 SER CB C 66.0000 0.0000 1 335 35 35 SER N N 113.3500 0.0000 1 336 36 36 ILE H H 8.8850 0.0000 1 337 36 36 ILE HA H 3.8300 0.0000 1 338 36 36 ILE HB H 2.0000 0.0000 1 339 36 36 ILE HG12 H 0.2500 0.0000 2 340 36 36 ILE HG13 H 1.4800 0.0000 2 341 36 36 ILE HG2 H 0.8730 0.0000 1 342 36 36 ILE HD1 H 0.3700 0.0000 1 343 36 36 ILE CA C 62.6800 0.0000 1 344 36 36 ILE CB C 39.5200 0.0000 1 345 36 36 ILE CG1 C 28.5200 0.0000 1 346 36 36 ILE CG2 C 18.0000 0.0000 1 347 36 36 ILE CD1 C 14.9200 0.0000 1 348 36 36 ILE N N 119.4400 0.0000 1 349 37 37 SER H H 9.5500 0.0000 1 350 37 37 SER HA H 5.1560 0.0000 1 351 37 37 SER HB2 H 4.2200 0.0000 2 352 37 37 SER HB3 H 4.5600 0.0000 2 353 37 37 SER CA C 56.9400 0.0000 1 354 37 37 SER CB C 67.0600 0.0000 1 355 37 37 SER N N 126.4700 0.0000 1 356 38 38 THR H H 8.8700 0.0000 1 357 38 38 THR HA H 3.7100 0.0000 1 358 38 38 THR HB H 4.2300 0.0000 1 359 38 38 THR HG2 H 1.2970 0.0000 1 360 38 38 THR CA C 66.4200 0.0000 1 361 38 38 THR CB C 68.0300 0.0000 1 362 38 38 THR CG2 C 22.6600 0.0000 1 363 38 38 THR N N 111.5800 0.0000 1 364 39 39 LYS H H 8.0180 0.0000 1 365 39 39 LYS HA H 4.0450 0.0000 1 366 39 39 LYS HB2 H 1.8400 0.0000 2 367 39 39 LYS HB3 H 1.7200 0.0000 2 368 39 39 LYS HG2 H 1.3100 0.0000 2 369 39 39 LYS HG3 H 1.4800 0.0000 2 370 39 39 LYS HE2 H 3.0100 0.0000 2 371 39 39 LYS HE3 H 3.0100 0.0000 2 372 39 39 LYS CA C 59.5000 0.0000 1 373 39 39 LYS CB C 32.2000 0.0000 1 374 39 39 LYS CG C 24.7400 0.0000 1 375 39 39 LYS CD C 29.2750 0.0000 1 376 39 39 LYS CE C 41.8000 0.0000 1 377 39 39 LYS N N 123.3000 0.0000 1 378 40 40 GLU H H 7.6660 0.0000 1 379 40 40 GLU HA H 4.1570 0.0000 1 380 40 40 GLU HB2 H 2.3800 0.0000 2 381 40 40 GLU HB3 H 2.4900 0.0000 2 382 40 40 GLU HG2 H 2.6000 0.0000 2 383 40 40 GLU HG3 H 2.3200 0.0000 2 384 40 40 GLU CA C 61.0000 0.0000 1 385 40 40 GLU CB C 30.0000 0.0000 1 386 40 40 GLU CG C 38.8000 0.0000 1 387 40 40 GLU N N 119.7500 0.0000 1 388 41 41 LEU H H 8.3260 0.0000 1 389 41 41 LEU HA H 4.1700 0.0000 1 390 41 41 LEU HB2 H 1.3300 0.0000 2 391 41 41 LEU HB3 H 1.6700 0.0000 2 392 41 41 LEU HG H 1.7000 0.0000 1 393 41 41 LEU HD1 H 0.5800 0.0000 1 394 41 41 LEU HD2 H 0.7090 0.0000 1 395 41 41 LEU CA C 57.6900 0.0000 1 396 41 41 LEU CB C 42.3800 0.0000 1 397 41 41 LEU CG C 26.9000 0.0000 1 398 41 41 LEU CD1 C 23.1600 0.0000 1 399 41 41 LEU CD2 C 26.6500 0.0000 1 400 41 41 LEU N N 119.1100 0.0000 1 401 42 42 GLY H H 8.4680 0.0000 1 402 42 42 GLY HA2 H 3.4900 0.0000 2 403 42 42 GLY HA3 H 3.9300 0.0000 2 404 42 42 GLY CA C 48.0000 0.0000 1 405 42 42 GLY N N 105.9000 0.0000 1 406 43 43 LYS H H 7.3100 0.0000 1 407 43 43 LYS HA H 3.9700 0.0000 1 408 43 43 LYS HB2 H 1.9800 0.0000 2 409 43 43 LYS HB3 H 1.9800 0.0000 2 410 43 43 LYS HG2 H 1.3600 0.0000 2 411 43 43 LYS HG3 H 1.6240 0.0000 2 412 43 43 LYS HD2 H 1.7600 0.0000 2 413 43 43 LYS HD3 H 1.7600 0.0000 2 414 43 43 LYS HE2 H 2.9700 0.0000 2 415 43 43 LYS HE3 H 2.9700 0.0000 2 416 43 43 LYS CA C 59.9000 0.0000 1 417 43 43 LYS CB C 32.2500 0.0000 1 418 43 43 LYS CG C 25.0550 0.0000 1 419 43 43 LYS CD C 29.3500 0.0000 1 420 43 43 LYS CE C 41.8300 0.0000 1 421 43 43 LYS N N 120.8000 0.0000 1 422 44 44 VAL H H 7.5740 0.0000 1 423 44 44 VAL HA H 3.6300 0.0000 1 424 44 44 VAL HB H 1.8160 0.0000 1 425 44 44 VAL HG1 H 0.5600 0.0000 1 426 44 44 VAL HG2 H 0.4820 0.0000 1 427 44 44 VAL CA C 66.1900 0.0000 1 428 44 44 VAL CB C 31.6800 0.0000 1 429 44 44 VAL CG1 C 21.0000 0.0000 1 430 44 44 VAL CG2 C 23.0000 0.0000 1 431 44 44 VAL N N 119.5100 0.0000 1 432 45 45 MET H H 8.4100 0.0000 1 433 45 45 MET HA H 4.1000 0.0000 1 434 45 45 MET HB2 H 1.6000 0.0000 2 435 45 45 MET HB3 H 1.6000 0.0000 2 436 45 45 MET HG2 H 2.3780 0.0000 2 437 45 45 MET HG3 H 2.3780 0.0000 2 438 45 45 MET HE H 1.6900 0.0000 1 439 45 45 MET CA C 58.2500 0.0000 1 440 45 45 MET CB C 31.0000 0.0000 1 441 45 45 MET CG C 33.4900 0.0000 1 442 45 45 MET CE C 17.7000 0.0000 1 443 45 45 MET N N 116.9900 0.0000 1 444 46 46 ARG H H 8.1100 0.0000 1 445 46 46 ARG HA H 4.6250 0.0000 1 446 46 46 ARG HB2 H 1.8800 0.0000 2 447 46 46 ARG HB3 H 1.9500 0.0000 2 448 46 46 ARG HG2 H 1.7500 0.0000 2 449 46 46 ARG HG3 H 1.9000 0.0000 2 450 46 46 ARG HD2 H 3.2800 0.0000 2 451 46 46 ARG HD3 H 3.1500 0.0000 2 452 46 46 ARG CA C 59.2500 0.0000 1 453 46 46 ARG CB C 30.0000 0.0000 1 454 46 46 ARG CG C 28.7000 0.0000 1 455 46 46 ARG CD C 43.3200 0.0000 1 456 46 46 ARG N N 118.6000 0.0000 1 457 47 47 MET H H 7.8400 0.0000 1 458 47 47 MET HA H 4.1800 0.0000 1 459 47 47 MET HB2 H 2.3650 0.0000 2 460 47 47 MET HB3 H 2.2430 0.0000 2 461 47 47 MET HG2 H 2.7180 0.0000 2 462 47 47 MET HG3 H 2.5920 0.0000 2 463 47 47 MET HE H 1.9900 0.0000 1 464 47 47 MET CA C 58.8400 0.0000 1 465 47 47 MET CB C 32.4000 0.0000 1 466 47 47 MET CG C 31.8100 0.0000 1 467 47 47 MET CE C 16.7900 0.0000 1 468 47 47 MET N N 122.4000 0.0000 1 469 48 48 LEU H H 7.4920 0.0000 1 470 48 48 LEU HA H 4.3900 0.0000 1 471 48 48 LEU HB2 H 1.8580 0.0000 2 472 48 48 LEU HB3 H 1.8580 0.0000 2 473 48 48 LEU HG H 1.8600 0.0000 1 474 48 48 LEU HD1 H 0.8200 0.0000 1 475 48 48 LEU HD2 H 0.8100 0.0000 1 476 48 48 LEU CA C 54.4000 0.0000 1 477 48 48 LEU CB C 41.6000 0.0000 1 478 48 48 LEU CG C 26.6000 0.0000 1 479 48 48 LEU CD1 C 26.1000 0.0000 1 480 48 48 LEU CD2 C 23.0500 0.0000 1 481 48 48 LEU N N 117.6600 0.0000 1 482 49 49 GLY H H 7.8300 0.0000 1 483 49 49 GLY HA2 H 3.8000 0.0000 2 484 49 49 GLY HA3 H 4.1900 0.0000 2 485 49 49 GLY CA C 45.7400 0.0000 1 486 49 49 GLY N N 107.4500 0.0000 1 487 50 50 GLN H H 8.0600 0.0000 1 488 50 50 GLN HA H 4.4940 0.0000 1 489 50 50 GLN HB2 H 2.1000 0.0000 2 490 50 50 GLN HB3 H 1.6000 0.0000 2 491 50 50 GLN HG2 H 2.1500 0.0000 2 492 50 50 GLN HG3 H 2.1500 0.0000 2 493 50 50 GLN CA C 53.7900 0.0000 1 494 50 50 GLN CB C 31.0300 0.0000 1 495 50 50 GLN CG C 33.5700 0.0000 1 496 50 50 GLN N N 118.2500 0.0000 1 497 51 51 ASN H H 8.6450 0.0000 1 498 51 51 ASN HA H 5.1490 0.0000 1 499 51 51 ASN HB2 H 2.7590 0.0000 2 500 51 51 ASN HB3 H 2.5090 0.0000 2 501 51 51 ASN CA C 51.0500 0.0000 1 502 51 51 ASN CB C 39.1100 0.0000 1 503 51 51 ASN N N 116.6000 0.0000 1 504 52 52 PRO HA H 4.7500 0.0000 1 505 52 52 PRO HB2 H 1.8700 0.0000 2 506 52 52 PRO HB3 H 2.1300 0.0000 2 507 52 52 PRO HG2 H 1.8500 0.0000 2 508 52 52 PRO HG3 H 1.7700 0.0000 2 509 52 52 PRO HD2 H 3.2390 0.0000 2 510 52 52 PRO HD3 H 3.5600 0.0000 2 511 52 52 PRO CA C 62.1190 0.0000 1 512 52 52 PRO CB C 32.0300 0.0000 1 513 52 52 PRO CG C 27.8100 0.0000 1 514 52 52 PRO CD C 49.7700 0.0000 1 515 53 53 THR H H 8.9000 0.0000 1 516 53 53 THR HA H 4.6180 0.0000 1 517 53 53 THR HB H 4.7990 0.0000 1 518 53 53 THR HG2 H 1.3800 0.0000 1 519 53 53 THR CA C 59.9500 0.0000 1 520 53 53 THR CB C 68.2300 0.0000 1 521 53 53 THR CG2 C 22.0600 0.0000 1 522 53 53 THR N N 114.0000 0.0000 1 523 54 54 PRO HA H 4.1640 0.0000 1 524 54 54 PRO HB2 H 2.4400 0.0000 2 525 54 54 PRO HB3 H 1.9200 0.0000 2 526 54 54 PRO HG2 H 2.2400 0.0000 2 527 54 54 PRO HG3 H 2.0200 0.0000 2 528 54 54 PRO HD2 H 3.9270 0.0000 2 529 54 54 PRO HD3 H 3.9270 0.0000 2 530 54 54 PRO CA C 66.0900 0.0000 1 531 54 54 PRO CB C 31.7200 0.0000 1 532 54 54 PRO CG C 28.2300 0.0000 1 533 54 54 PRO CD C 50.3300 0.0000 1 534 55 55 GLU H H 8.7600 0.0000 1 535 55 55 GLU HA H 4.0200 0.0000 1 536 55 55 GLU HB2 H 1.9300 0.0000 2 537 55 55 GLU HB3 H 2.0400 0.0000 2 538 55 55 GLU HG2 H 2.2400 0.0000 2 539 55 55 GLU HG3 H 2.4300 0.0000 2 540 55 55 GLU CA C 60.4200 0.0000 1 541 55 55 GLU CB C 28.7600 0.0000 1 542 55 55 GLU CG C 37.2200 0.0000 1 543 55 55 GLU N N 117.3600 0.0000 1 544 56 56 GLU H H 7.7800 0.0000 1 545 56 56 GLU HA H 3.9630 0.0000 1 546 56 56 GLU HB2 H 2.3600 0.0000 2 547 56 56 GLU HB3 H 1.8200 0.0000 2 548 56 56 GLU HG2 H 2.2300 0.0000 2 549 56 56 GLU HG3 H 2.3600 0.0000 2 550 56 56 GLU CA C 59.2000 0.0000 1 551 56 56 GLU CB C 29.9000 0.0000 1 552 56 56 GLU CG C 37.5200 0.0000 1 553 56 56 GLU N N 121.6100 0.0000 1 554 57 57 LEU H H 8.1100 0.0000 1 555 57 57 LEU HA H 4.0190 0.0000 1 556 57 57 LEU HB2 H 2.0800 0.0000 2 557 57 57 LEU HB3 H 1.1080 0.0000 2 558 57 57 LEU HG H 1.7000 0.0000 1 559 57 57 LEU HD1 H 0.8430 0.0000 1 560 57 57 LEU HD2 H 0.6800 0.0000 1 561 57 57 LEU CA C 57.6300 0.0000 1 562 57 57 LEU CB C 42.6900 0.0000 1 563 57 57 LEU CG C 27.0000 0.0000 1 564 57 57 LEU CD1 C 25.8900 0.0000 1 565 57 57 LEU CD2 C 23.7000 0.0000 1 566 57 57 LEU N N 118.2400 0.0000 1 567 58 58 GLN H H 7.9200 0.0000 1 568 58 58 GLN HA H 3.7000 0.0000 1 569 58 58 GLN HB2 H 2.1540 0.0000 2 570 58 58 GLN HB3 H 2.1540 0.0000 2 571 58 58 GLN HG2 H 2.4870 0.0000 2 572 58 58 GLN HG3 H 2.3800 0.0000 2 573 58 58 GLN CA C 58.1800 0.0000 1 574 58 58 GLN CB C 28.3700 0.0000 1 575 58 58 GLN CG C 33.5300 0.0000 1 576 58 58 GLN N N 118.0000 0.0000 1 577 59 59 GLU H H 7.8750 0.0000 1 578 59 59 GLU HA H 4.0450 0.0000 1 579 59 59 GLU HB2 H 2.1850 0.0000 2 580 59 59 GLU HB3 H 2.0570 0.0000 2 581 59 59 GLU HG2 H 2.4400 0.0000 2 582 59 59 GLU HG3 H 2.2400 0.0000 2 583 59 59 GLU CA C 59.5000 0.0000 1 584 59 59 GLU CB C 29.6970 0.0000 1 585 59 59 GLU CG C 36.5000 0.0000 1 586 59 59 GLU N N 119.2000 0.0000 1 587 60 60 MET H H 7.7800 0.0000 1 588 60 60 MET HA H 4.0000 0.0000 1 589 60 60 MET HB2 H 1.9530 0.0000 1 590 60 60 MET HB3 H 2.2700 0.0000 1 591 60 60 MET HG2 H 2.7700 0.0000 2 592 60 60 MET HG3 H 2.4630 0.0000 2 593 60 60 MET HE H 1.7100 0.0000 1 594 60 60 MET CA C 59.5000 0.0000 1 595 60 60 MET CB C 33.7800 0.0000 1 596 60 60 MET CG C 32.9000 0.0000 1 597 60 60 MET CE C 17.2500 0.0000 1 598 60 60 MET N N 117.7600 0.0000 1 599 61 61 ILE H H 7.4570 0.0000 1 600 61 61 ILE HA H 3.5580 0.0000 1 601 61 61 ILE HB H 2.0500 0.0000 1 602 61 61 ILE HG12 H 1.2000 0.0000 2 603 61 61 ILE HG13 H 1.5600 0.0000 2 604 61 61 ILE HG2 H 0.7390 0.0000 1 605 61 61 ILE HD1 H 0.6900 0.0000 1 606 61 61 ILE CA C 63.8100 0.0000 1 607 61 61 ILE CB C 36.8300 0.0000 1 608 61 61 ILE CG1 C 28.6700 0.0000 1 609 61 61 ILE CG2 C 15.9500 0.0000 1 610 61 61 ILE CD1 C 11.9600 0.0000 1 611 61 61 ILE N N 118.1600 0.0000 1 612 62 62 ASP H H 8.7300 0.0000 1 613 62 62 ASP HA H 4.3380 0.0000 1 614 62 62 ASP HB2 H 2.7900 0.0000 2 615 62 62 ASP HB3 H 2.6400 0.0000 2 616 62 62 ASP CA C 57.3800 0.0000 1 617 62 62 ASP CB C 40.7000 0.0000 1 618 62 62 ASP N N 119.3800 0.0000 1 619 63 63 GLU H H 7.5800 0.0000 1 620 63 63 GLU HA H 4.0400 0.0000 1 621 63 63 GLU HB2 H 2.2600 0.0000 2 622 63 63 GLU HB3 H 2.0600 0.0000 2 623 63 63 GLU HG2 H 2.4900 0.0000 2 624 63 63 GLU HG3 H 2.3000 0.0000 2 625 63 63 GLU CA C 58.9000 0.0000 1 626 63 63 GLU CB C 30.5100 0.0000 1 627 63 63 GLU CG C 36.6500 0.0000 1 628 63 63 GLU N N 116.2000 0.0000 1 629 64 64 VAL H H 7.2240 0.0000 1 630 64 64 VAL HA H 4.4520 0.0000 1 631 64 64 VAL HB H 2.3300 0.0000 1 632 64 64 VAL HG1 H 0.7400 0.0000 1 633 64 64 VAL HG2 H 0.9010 0.0000 1 634 64 64 VAL CA C 60.6500 0.0000 1 635 64 64 VAL CB C 32.7200 0.0000 1 636 64 64 VAL CG1 C 22.1000 0.0000 1 637 64 64 VAL CG2 C 20.4900 0.0000 1 638 64 64 VAL N N 109.0700 0.0000 1 639 65 65 ASP H H 7.6700 0.0000 1 640 65 65 ASP HA H 4.5750 0.0000 1 641 65 65 ASP HB2 H 2.5200 0.0000 2 642 65 65 ASP HB3 H 2.7900 0.0000 2 643 65 65 ASP CA C 53.4000 0.0000 1 644 65 65 ASP CB C 40.8300 0.0000 1 645 65 65 ASP N N 121.9000 0.0000 1 646 66 66 GLU H H 8.2800 0.0000 1 647 66 66 GLU HA H 4.2060 0.0000 1 648 66 66 GLU HB2 H 2.0660 0.0000 2 649 66 66 GLU HB3 H 2.2000 0.0000 2 650 66 66 GLU HG2 H 2.3850 0.0000 2 651 66 66 GLU HG3 H 2.3000 0.0000 2 652 66 66 GLU CA C 58.2500 0.0000 1 653 66 66 GLU CB C 30.9500 0.0000 1 654 66 66 GLU CG C 36.1400 0.0000 1 655 66 66 GLU N N 128.0100 0.0000 1 656 67 67 ASP H H 8.0400 0.0000 1 657 67 67 ASP HA H 4.7300 0.0000 1 658 67 67 ASP HB2 H 2.7450 0.0000 2 659 67 67 ASP HB3 H 3.1400 0.0000 2 660 67 67 ASP CA C 52.5000 0.0000 1 661 67 67 ASP CB C 40.3000 0.0000 1 662 67 67 ASP N N 114.8000 0.0000 1 663 68 68 GLY H H 7.7350 0.0000 1 664 68 68 GLY HA2 H 3.7900 0.0000 2 665 68 68 GLY HA3 H 3.9100 0.0000 2 666 68 68 GLY CA C 46.9000 0.0000 1 667 68 68 GLY N N 109.0000 0.0000 1 668 69 69 SER H H 8.5300 0.0000 1 669 69 69 SER HA H 4.2270 0.0000 1 670 69 69 SER HB2 H 4.0330 0.0000 2 671 69 69 SER HB3 H 4.2150 0.0000 2 672 69 69 SER CA C 60.0700 0.0000 1 673 69 69 SER CB C 64.6600 0.0000 1 674 69 69 SER N N 116.8600 0.0000 1 675 70 70 GLY H H 10.7600 0.0000 1 676 70 70 GLY HA2 H 3.5300 0.0000 2 677 70 70 GLY HA3 H 4.2500 0.0000 2 678 70 70 GLY CA C 45.4900 0.0000 1 679 70 70 GLY N N 116.3000 0.0000 1 680 71 71 THR H H 7.6100 0.0000 1 681 71 71 THR HA H 4.9870 0.0000 1 682 71 71 THR HB H 3.9000 0.0000 1 683 71 71 THR HG2 H 1.0680 0.0000 1 684 71 71 THR CA C 58.1000 0.0000 1 685 71 71 THR CB C 73.6000 0.0000 1 686 71 71 THR CG2 C 22.5000 0.0000 1 687 71 71 THR N N 107.2900 0.0000 1 688 72 72 VAL H H 9.7500 0.0000 1 689 72 72 VAL HA H 5.0440 0.0000 1 690 72 72 VAL HB H 2.2700 0.0000 1 691 72 72 VAL HG1 H 1.2510 0.0000 1 692 72 72 VAL HG2 H 0.9800 0.0000 1 693 72 72 VAL CA C 61.5000 0.0000 1 694 72 72 VAL CB C 33.7400 0.0000 1 695 72 72 VAL CG1 C 21.5900 0.0000 1 696 72 72 VAL CG2 C 23.3200 0.0000 1 697 72 72 VAL N N 127.1600 0.0000 1 698 73 73 ASP H H 8.8780 0.0000 1 699 73 73 ASP HA H 5.1200 0.0000 1 700 73 73 ASP HB2 H 3.2550 0.0000 2 701 73 73 ASP HB3 H 2.6770 0.0000 2 702 73 73 ASP CA C 52.3200 0.0000 1 703 73 73 ASP CB C 41.7000 0.0000 1 704 73 73 ASP N N 129.0900 0.0000 1 705 74 74 PHE H H 8.5500 0.0000 1 706 74 74 PHE HA H 3.3600 0.0000 1 707 74 74 PHE HB2 H 2.2100 0.0000 2 708 74 74 PHE HB3 H 2.5100 0.0000 2 709 74 74 PHE HD1 H 6.7000 0.0000 3 710 74 74 PHE HE1 H 7.1600 0.0000 3 711 74 74 PHE HZ H 7.5300 0.0000 1 712 74 74 PHE CA C 61.1500 0.0000 1 713 74 74 PHE CB C 38.5000 0.0000 1 714 74 74 PHE CD1 C 132.1100 0.0000 1 715 74 74 PHE CE1 C 130.2900 0.0000 1 716 74 74 PHE CZ C 129.5600 0.0000 1 717 74 74 PHE N N 118.2600 0.0000 1 718 75 75 ASP H H 7.6900 0.0000 1 719 75 75 ASP HA H 3.9800 0.0000 1 720 75 75 ASP HB2 H 2.7000 0.0000 2 721 75 75 ASP HB3 H 2.5200 0.0000 2 722 75 75 ASP CA C 57.8000 0.0000 1 723 75 75 ASP CB C 40.2000 0.0000 1 724 75 75 ASP N N 118.0000 0.0000 1 725 76 76 GLU H H 8.3410 0.0000 1 726 76 76 GLU HA H 3.9590 0.0000 1 727 76 76 GLU HB2 H 2.4660 0.0000 2 728 76 76 GLU HB3 H 2.0350 0.0000 2 729 76 76 GLU HG2 H 2.9000 0.0000 2 730 76 76 GLU HG3 H 2.4600 0.0000 2 731 76 76 GLU CA C 58.2700 0.0000 1 732 76 76 GLU CB C 30.0000 0.0000 1 733 76 76 GLU CG C 36.8000 0.0000 1 734 76 76 GLU N N 120.1400 0.0000 1 735 77 77 PHE H H 8.8800 0.0000 1 736 77 77 PHE HA H 3.8400 0.0000 1 737 77 77 PHE HB2 H 3.3100 0.0000 2 738 77 77 PHE HB3 H 3.0900 0.0000 2 739 77 77 PHE HD1 H 6.9700 0.0000 3 740 77 77 PHE HE1 H 7.3400 0.0000 3 741 77 77 PHE HZ H 7.2600 0.0000 1 742 77 77 PHE CA C 60.8200 0.0000 1 743 77 77 PHE CB C 40.0000 0.0000 1 744 77 77 PHE CD1 C 131.7560 0.0000 1 745 77 77 PHE CE1 C 131.4980 0.0000 1 746 77 77 PHE CZ C 129.4100 0.0000 1 747 77 77 PHE N N 123.3400 0.0000 1 748 78 78 LEU H H 8.2400 0.0000 1 749 78 78 LEU HA H 3.3030 0.0000 1 750 78 78 LEU HB2 H 1.0850 0.0000 2 751 78 78 LEU HB3 H 1.6250 0.0000 2 752 78 78 LEU HG H 1.0330 0.0000 1 753 78 78 LEU HD1 H 0.5740 0.0000 1 754 78 78 LEU HD2 H 0.6590 0.0000 1 755 78 78 LEU CA C 57.9300 0.0000 1 756 78 78 LEU CB C 41.4600 0.0000 1 757 78 78 LEU CG C 25.8000 0.0000 1 758 78 78 LEU CD1 C 25.7500 0.0000 1 759 78 78 LEU CD2 C 24.3500 0.0000 1 760 78 78 LEU N N 119.5000 0.0000 1 761 79 79 VAL H H 7.2600 0.0000 1 762 79 79 VAL HA H 3.2140 0.0000 1 763 79 79 VAL HB H 2.0800 0.0000 1 764 79 79 VAL HG1 H 0.6300 0.0000 1 765 79 79 VAL HG2 H 0.9600 0.0000 1 766 79 79 VAL CA C 66.7000 0.0000 1 767 79 79 VAL CB C 31.1000 0.0000 1 768 79 79 VAL CG1 C 21.6400 0.0000 1 769 79 79 VAL CG2 C 23.5000 0.0000 1 770 79 79 VAL N N 117.8000 0.0000 1 771 80 80 MET H H 7.6920 0.0000 1 772 80 80 MET HA H 3.5480 0.0000 1 773 80 80 MET HB2 H 1.7200 0.0000 2 774 80 80 MET HB3 H 1.8400 0.0000 2 775 80 80 MET HG2 H 2.1250 0.0000 2 776 80 80 MET HG3 H 2.4750 0.0000 2 777 80 80 MET HE H 1.2900 0.0000 1 778 80 80 MET CA C 59.0000 0.0000 1 779 80 80 MET CB C 32.1000 0.0000 1 780 80 80 MET CG C 31.9500 0.0000 1 781 80 80 MET CE C 17.3000 0.0000 1 782 80 80 MET N N 119.5300 0.0000 1 783 81 81 MET H H 7.8800 0.0000 1 784 81 81 MET HA H 3.9500 0.0000 1 785 81 81 MET HB2 H 1.0300 0.0000 2 786 81 81 MET HB3 H 1.4200 0.0000 2 787 81 81 MET HG2 H 1.4600 0.0000 2 788 81 81 MET HG3 H 1.1230 0.0000 2 789 81 81 MET HE H 1.5200 0.0000 1 790 81 81 MET CA C 56.3400 0.0000 1 791 81 81 MET CB C 31.4000 0.0000 1 792 81 81 MET CG C 31.5000 0.0000 1 793 81 81 MET CE C 17.8000 0.0000 1 794 81 81 MET N N 117.4800 0.0000 1 795 82 82 VAL H H 8.1300 0.0000 1 796 82 82 VAL HA H 3.8770 0.0000 1 797 82 82 VAL HB H 2.1340 0.0000 1 798 82 82 VAL HG1 H 0.9330 0.0000 1 799 82 82 VAL HG2 H 1.0330 0.0000 1 800 82 82 VAL CA C 65.6500 0.0000 1 801 82 82 VAL CB C 31.4000 0.0000 1 802 82 82 VAL CG1 C 21.7600 0.0000 1 803 82 82 VAL CG2 C 22.2400 0.0000 1 804 82 82 VAL N N 118.2100 0.0000 1 805 83 83 ARG H H 8.2310 0.0000 1 806 83 83 ARG HA H 3.8550 0.0000 1 807 83 83 ARG HB2 H 1.6600 0.0000 2 808 83 83 ARG HB3 H 1.5600 0.0000 2 809 83 83 ARG HG2 H 1.1100 0.0000 2 810 83 83 ARG HG3 H 1.4500 0.0000 2 811 83 83 ARG HD2 H 2.7300 0.0000 2 812 83 83 ARG HD3 H 2.7300 0.0000 2 813 83 83 ARG CA C 59.0000 0.0000 1 814 83 83 ARG CB C 30.1000 0.0000 1 815 83 83 ARG CG C 27.6000 0.0000 1 816 83 83 ARG CD C 43.6400 0.0000 1 817 83 83 ARG N N 120.4000 0.0000 1 818 84 84 SER H H 7.7400 0.0000 1 819 84 84 SER HA H 4.3100 0.0000 1 820 84 84 SER HB2 H 3.9000 0.0000 2 821 84 84 SER HB3 H 3.9000 0.0000 2 822 84 84 SER CA C 60.3000 0.0000 1 823 84 84 SER CB C 63.3100 0.0000 1 824 84 84 SER N N 113.9000 0.0000 1 825 85 85 MET H H 7.8590 0.0000 1 826 85 85 MET HA H 4.3400 0.0000 1 827 85 85 MET HB2 H 2.2680 0.0000 2 828 85 85 MET HB3 H 2.1560 0.0000 2 829 85 85 MET HG2 H 2.8490 0.0000 2 830 85 85 MET HG3 H 2.6540 0.0000 2 831 85 85 MET HE H 2.0750 0.0000 1 832 85 85 MET CA C 57.3000 0.0000 1 833 85 85 MET CB C 34.0350 0.0000 1 834 85 85 MET CG C 32.2500 0.0000 1 835 85 85 MET CE C 16.9500 0.0000 1 836 85 85 MET N N 120.4000 0.0000 1 837 86 86 LYS H H 7.8510 0.0000 1 838 86 86 LYS HA H 4.3700 0.0000 1 839 86 86 LYS HB2 H 1.8820 0.0000 2 840 86 86 LYS HB3 H 1.9430 0.0000 2 841 86 86 LYS CA C 56.7970 0.0000 1 842 86 86 LYS CB C 32.9210 0.0000 1 843 86 86 LYS CG C 24.7660 0.0000 1 844 86 86 LYS CD C 28.9060 0.0000 1 845 86 86 LYS N N 119.4500 0.0000 1 846 87 87 ASP H H 8.2560 0.0000 1 847 87 87 ASP HA H 4.6300 0.0000 1 848 87 87 ASP HB2 H 2.7700 0.0000 2 849 87 87 ASP HB3 H 2.7700 0.0000 2 850 87 87 ASP CA C 54.7000 0.0000 1 851 87 87 ASP CB C 41.2000 0.0000 1 852 87 87 ASP N N 121.4910 0.0000 1 853 88 88 ASP H H 8.3100 0.0000 1 854 88 88 ASP HA H 4.6920 0.0000 1 855 88 88 ASP HB2 H 2.7300 0.0000 2 856 88 88 ASP HB3 H 2.7300 0.0000 2 857 88 88 ASP CA C 54.4880 0.0000 1 858 88 88 ASP CB C 41.2200 0.0000 1 859 88 88 ASP N N 122.1300 0.0000 1 860 89 89 SER H H 8.3160 0.0000 1 861 89 89 SER HA H 4.3580 0.0000 1 862 89 89 SER HB2 H 3.9600 0.0000 2 863 89 89 SER HB3 H 3.9600 0.0000 2 864 89 89 SER CA C 59.4700 0.0000 1 865 89 89 SER CB C 63.5600 0.0000 1 866 89 89 SER N N 116.2000 0.0000 1 867 90 90 LYS H H 8.1750 0.0000 1 868 90 90 LYS HA H 4.3240 0.0000 1 869 90 90 LYS HB2 H 1.9200 0.0000 2 870 90 90 LYS HB3 H 1.8400 0.0000 2 871 90 90 LYS HG2 H 1.4800 0.0000 2 872 90 90 LYS HG3 H 1.4800 0.0000 2 873 90 90 LYS HD2 H 1.6800 0.0000 2 874 90 90 LYS HD3 H 1.6800 0.0000 2 875 90 90 LYS HE2 H 2.9900 0.0000 2 876 90 90 LYS HE3 H 2.9900 0.0000 2 877 90 90 LYS CA C 56.4800 0.0000 1 878 90 90 LYS CB C 32.7600 0.0000 1 879 90 90 LYS CG C 24.7700 0.0000 1 880 90 90 LYS CD C 28.9000 0.0000 1 881 90 90 LYS CE C 41.9000 0.0000 1 882 90 90 LYS N N 121.2500 0.0000 1 883 136 91 GLY H H 8.2300 0.0000 1 884 136 91 GLY HA2 H 3.9250 0.0000 2 885 136 91 GLY HA3 H 3.9250 0.0000 2 886 136 91 GLY CA C 45.4800 0.0000 1 887 136 91 GLY N N 108.9000 0.0000 1 888 137 92 LYS H H 8.0600 0.0000 1 889 137 92 LYS HA H 4.1760 0.0000 1 890 137 92 LYS HB2 H 1.6180 0.0000 2 891 137 92 LYS HB3 H 1.6180 0.0000 2 892 137 92 LYS HG2 H 1.2000 0.0000 2 893 137 92 LYS HG3 H 1.2400 0.0000 2 894 137 92 LYS HD2 H 1.5900 0.0000 2 895 137 92 LYS HD3 H 1.5900 0.0000 2 896 137 92 LYS HE2 H 2.9250 0.0000 2 897 137 92 LYS HE3 H 2.9250 0.0000 2 898 137 92 LYS CA C 56.6400 0.0000 1 899 137 92 LYS CB C 32.7900 0.0000 1 900 137 92 LYS CG C 24.6000 0.0000 1 901 137 92 LYS CD C 28.9100 0.0000 1 902 137 92 LYS CE C 41.8800 0.0000 1 903 137 92 LYS N N 120.5300 0.0000 1 904 138 93 PHE H H 8.1240 0.0000 1 905 138 93 PHE HA H 4.6450 0.0000 1 906 138 93 PHE HB2 H 3.2040 0.0000 2 907 138 93 PHE HB3 H 2.9700 0.0000 2 908 138 93 PHE HD1 H 7.2500 0.0000 3 909 138 93 PHE HD2 H 7.2600 0.0000 1 910 138 93 PHE CA C 57.2800 0.0000 1 911 138 93 PHE CB C 39.4700 0.0000 1 912 138 93 PHE CD1 C 131.9360 0.0000 1 913 138 93 PHE CD2 C 131.9360 0.0000 1 914 138 93 PHE N N 119.3400 0.0000 1 915 139 94 LYS H H 8.2600 0.0000 1 916 139 94 LYS HA H 4.2630 0.0000 1 917 139 94 LYS HB2 H 1.7470 0.0000 2 918 139 94 LYS HB3 H 1.8130 0.0000 2 919 139 94 LYS HG2 H 1.4100 0.0000 2 920 139 94 LYS HG3 H 1.4100 0.0000 2 921 139 94 LYS HD2 H 1.6700 0.0000 2 922 139 94 LYS HD3 H 1.6700 0.0000 2 923 139 94 LYS HE2 H 3.0000 0.0000 2 924 139 94 LYS HE3 H 3.0000 0.0000 2 925 139 94 LYS CA C 56.4000 0.0000 1 926 139 94 LYS CB C 32.9400 0.0000 1 927 139 94 LYS CG C 24.7900 0.0000 1 928 139 94 LYS CD C 28.9000 0.0000 1 929 139 94 LYS CE C 41.9000 0.0000 1 930 139 94 LYS N N 122.5000 0.0000 1 931 140 95 ARG H H 8.2400 0.0000 1 932 140 95 ARG HA H 4.6050 0.0000 1 933 140 95 ARG HB2 H 1.7700 0.0000 2 934 140 95 ARG HB3 H 1.8700 0.0000 2 935 140 95 ARG HG2 H 1.7000 0.0000 2 936 140 95 ARG HG3 H 1.7000 0.0000 2 937 140 95 ARG HD2 H 3.2100 0.0000 2 938 140 95 ARG HD3 H 3.2100 0.0000 2 939 140 95 ARG CA C 53.9300 0.0000 1 940 140 95 ARG CB C 30.2400 0.0000 1 941 140 95 ARG CG C 27.0600 0.0000 1 942 140 95 ARG CD C 43.3200 0.0000 1 943 140 95 ARG N N 122.4400 0.0000 1 944 141 96 PRO HA H 4.4600 0.0000 1 945 141 96 PRO HB2 H 2.3070 0.0000 2 946 141 96 PRO HB3 H 1.9600 0.0000 2 947 141 96 PRO HG2 H 2.0400 0.0000 2 948 141 96 PRO HG3 H 2.0400 0.0000 2 949 141 96 PRO HD2 H 3.7010 0.0000 2 950 141 96 PRO HD3 H 3.8200 0.0000 2 951 141 96 PRO CA C 63.5800 0.0000 1 952 141 96 PRO CB C 32.0800 0.0000 1 953 141 96 PRO CG C 27.4700 0.0000 1 954 141 96 PRO CD C 50.7150 0.0000 1 955 142 97 THR H H 8.0600 0.0000 1 956 142 97 THR HA H 4.2780 0.0000 1 957 142 97 THR HB H 4.2030 0.0000 1 958 142 97 THR HG2 H 1.2000 0.0000 1 959 142 97 THR CA C 62.0000 0.0000 1 960 142 97 THR CB C 69.5600 0.0000 1 961 142 97 THR CG2 C 21.7500 0.0000 1 962 142 97 THR N N 113.7900 0.0000 1 963 143 98 LEU H H 8.1900 0.0000 1 964 143 98 LEU HA H 4.3400 0.0000 1 965 143 98 LEU HB2 H 1.6100 0.0000 2 966 143 98 LEU HB3 H 1.6100 0.0000 2 967 143 98 LEU HG H 1.5800 0.0000 1 968 143 98 LEU HD1 H 0.8750 0.0000 1 969 143 98 LEU HD2 H 0.8350 0.0000 1 970 143 98 LEU C C 177.0640 0.0000 1 971 143 98 LEU CB C 42.2600 0.0000 1 972 143 98 LEU CG C 27.2000 0.0000 1 973 143 98 LEU CD1 C 25.0500 0.0000 1 974 143 98 LEU CD2 C 23.7700 0.0000 1 975 143 98 LEU N N 123.7700 0.0000 1 976 144 99 ARG H H 8.2490 0.0000 1 977 144 99 ARG HA H 4.2300 0.0000 1 978 144 99 ARG HB3 H 1.7000 0.0000 2 979 144 99 ARG CA C 56.0800 0.0000 1 980 144 99 ARG CB C 30.7350 0.0000 1 981 144 99 ARG N N 121.3400 0.0000 1 982 145 100 ARG HA H 4.2500 0.0000 1 983 145 100 ARG HB2 H 1.8450 0.0000 1 984 145 100 ARG HB3 H 1.8450 0.0000 1 985 145 100 ARG HG2 H 1.6350 0.0000 1 986 145 100 ARG HG3 H 1.6350 0.0000 1 987 145 100 ARG HD2 H 3.1870 0.0000 1 988 145 100 ARG HD3 H 3.1870 0.0000 1 989 145 100 ARG CA C 56.6000 0.0000 1 990 145 100 ARG CB C 30.7800 0.0000 1 991 145 100 ARG CG C 27.3000 0.0000 1 992 145 100 ARG CD C 43.3170 0.0000 1 993 146 101 VAL H H 8.0600 0.0000 1 994 146 101 VAL HA H 4.1050 0.0000 1 995 146 101 VAL HB H 2.0550 0.0000 1 996 146 101 VAL HG1 H 0.8770 0.0000 1 997 146 101 VAL HG2 H 0.9030 0.0000 1 998 146 101 VAL CA C 62.2200 0.0000 1 999 146 101 VAL CB C 32.4800 0.0000 1 1000 146 101 VAL CG1 C 21.5200 0.0000 1 1001 146 101 VAL CG2 C 20.8000 0.0000 1 1002 146 101 VAL N N 120.5400 0.0000 1 1003 147 102 ARG H H 8.2080 0.0000 1 1004 147 102 ARG HA H 4.4130 0.0000 1 1005 147 102 ARG HB2 H 1.7600 0.0000 2 1006 147 102 ARG HB3 H 1.8500 0.0000 2 1007 147 102 ARG HG2 H 1.6100 0.0000 2 1008 147 102 ARG HG3 H 1.6100 0.0000 2 1009 147 102 ARG HD2 H 3.1930 0.0000 2 1010 147 102 ARG HD3 H 3.1930 0.0000 2 1011 147 102 ARG CA C 55.9000 0.0000 1 1012 147 102 ARG CB C 31.3000 0.0000 1 1013 147 102 ARG CG C 27.3000 0.0000 1 1014 147 102 ARG CD C 43.2800 0.0000 1 1015 147 102 ARG N N 124.4100 0.0000 1 1016 148 103 ILE H H 7.9650 0.0000 1 1017 148 103 ILE HA H 4.2800 0.0000 1 1018 148 103 ILE HB H 1.8000 0.0000 1 1019 148 103 ILE HG12 H 1.1400 0.0000 2 1020 148 103 ILE HG13 H 1.5000 0.0000 2 1021 148 103 ILE HG2 H 0.8900 0.0000 1 1022 148 103 ILE HD1 H 0.7800 0.0000 1 1023 148 103 ILE CA C 60.3000 0.0000 1 1024 148 103 ILE CB C 39.8000 0.0000 1 1025 148 103 ILE CG1 C 27.6300 0.0000 1 1026 148 103 ILE CG2 C 17.6000 0.0000 1 1027 148 103 ILE CD1 C 13.5000 0.0000 1 1028 148 103 ILE N N 120.4400 0.0000 1 1029 149 104 SER H H 8.2530 0.0000 1 1030 149 104 SER HA H 4.5800 0.0000 1 1031 149 104 SER HB2 H 3.9800 0.0000 2 1032 149 104 SER HB3 H 4.1810 0.0000 2 1033 149 104 SER CA C 57.3000 0.0000 1 1034 149 104 SER CB C 64.2000 0.0000 1 1035 149 104 SER N N 120.2440 0.0000 1 1036 150 105 ALA H H 8.7800 0.0000 1 1037 150 105 ALA HA H 4.0380 0.0000 1 1038 150 105 ALA HB H 1.4770 0.0000 1 1039 150 105 ALA CA C 55.6500 0.0000 1 1040 150 105 ALA CB C 18.5700 0.0000 1 1041 150 105 ALA N N 127.1700 0.0000 1 1042 151 106 ASP H H 8.4500 0.0000 1 1043 151 106 ASP HA H 4.3500 0.0000 1 1044 151 106 ASP HB2 H 2.6500 0.0000 2 1045 151 106 ASP HB3 H 2.6500 0.0000 2 1046 151 106 ASP CA C 57.2500 0.0000 1 1047 151 106 ASP CB C 40.7000 0.0000 1 1048 151 106 ASP N N 116.2300 0.0000 1 1049 152 107 ALA H H 7.8300 0.0000 1 1050 152 107 ALA HA H 4.1100 0.0000 1 1051 152 107 ALA HB H 1.5000 0.0000 1 1052 152 107 ALA CA C 54.8000 0.0000 1 1053 152 107 ALA CB C 18.5000 0.0000 1 1054 152 107 ALA N N 122.6900 0.0000 1 1055 153 108 MET H H 8.2700 0.0000 1 1056 153 108 MET HA H 4.0200 0.0000 1 1057 153 108 MET HB2 H 2.2300 0.0000 2 1058 153 108 MET HB3 H 2.2650 0.0000 2 1059 153 108 MET HG2 H 2.5700 0.0000 2 1060 153 108 MET HG3 H 2.4900 0.0000 2 1061 153 108 MET HE H 2.0850 0.0000 1 1062 153 108 MET CA C 59.2000 0.0000 1 1063 153 108 MET CB C 32.9400 0.0000 1 1064 153 108 MET CG C 32.0000 0.0000 1 1065 153 108 MET CE C 17.6600 0.0000 1 1066 153 108 MET N N 118.6500 0.0000 1 1067 154 109 MET H H 8.4500 0.0000 1 1068 154 109 MET HA H 4.3700 0.0000 1 1069 154 109 MET HB2 H 2.2700 0.0000 2 1070 154 109 MET HB3 H 1.9900 0.0000 2 1071 154 109 MET HG2 H 2.7500 0.0000 2 1072 154 109 MET HG3 H 2.7500 0.0000 2 1073 154 109 MET HE H 1.9800 0.0000 1 1074 154 109 MET CA C 57.5500 0.0000 1 1075 154 109 MET CB C 31.7400 0.0000 1 1076 154 109 MET CG C 32.6700 0.0000 1 1077 154 109 MET CE C 17.6100 0.0000 1 1078 154 109 MET N N 117.6000 0.0000 1 1079 155 110 GLN H H 8.1100 0.0000 1 1080 155 110 GLN HA H 4.0100 0.0000 1 1081 155 110 GLN HB2 H 2.1300 0.0000 2 1082 155 110 GLN HB3 H 2.1300 0.0000 2 1083 155 110 GLN HG2 H 2.3950 0.0000 2 1084 155 110 GLN HG3 H 2.4800 0.0000 2 1085 155 110 GLN CA C 58.7630 0.0000 1 1086 155 110 GLN CB C 28.3100 0.0000 1 1087 155 110 GLN CG C 33.8500 0.0000 1 1088 155 110 GLN N N 118.1000 0.0000 1 1089 156 111 ALA H H 7.8500 0.0000 1 1090 156 111 ALA HA H 4.1500 0.0000 1 1091 156 111 ALA HB H 1.5000 0.0000 1 1092 156 111 ALA CA C 54.7200 0.0000 1 1093 156 111 ALA CB C 18.5000 0.0000 1 1094 156 111 ALA N N 121.3900 0.0000 1 1095 157 112 LEU H H 8.0500 0.0000 1 1096 157 112 LEU HA H 4.1750 0.0000 1 1097 157 112 LEU HB2 H 1.5370 0.0000 2 1098 157 112 LEU HB3 H 1.9120 0.0000 2 1099 157 112 LEU HG H 1.8600 0.0000 1 1100 157 112 LEU HD1 H 0.9050 0.0000 1 1101 157 112 LEU HD2 H 0.6940 0.0000 1 1102 157 112 LEU CA C 57.1000 0.0000 1 1103 157 112 LEU CB C 42.6900 0.0000 1 1104 157 112 LEU CG C 26.7400 0.0000 1 1105 157 112 LEU CD1 C 26.0500 0.0000 1 1106 157 112 LEU CD2 C 22.9400 0.0000 1 1107 157 112 LEU N N 116.6000 0.0000 1 1108 158 113 LEU H H 8.2100 0.0000 1 1109 158 113 LEU HA H 4.3300 0.0000 1 1110 158 113 LEU HB2 H 1.8590 0.0000 2 1111 158 113 LEU HB3 H 1.5000 0.0000 2 1112 158 113 LEU HG H 1.7400 0.0000 1 1113 158 113 LEU HD1 H 0.9310 0.0000 1 1114 158 113 LEU HD2 H 0.8200 0.0000 1 1115 158 113 LEU CA C 55.6000 0.0000 1 1116 158 113 LEU CB C 42.4400 0.0000 1 1117 158 113 LEU CG C 27.3000 0.0000 1 1118 158 113 LEU CD1 C 25.8200 0.0000 1 1119 158 113 LEU CD2 C 22.9000 0.0000 1 1120 158 113 LEU N N 116.4800 0.0000 1 1121 159 114 GLY H H 7.8800 0.0000 1 1122 159 114 GLY HA2 H 3.9600 0.0000 2 1123 159 114 GLY HA3 H 3.9600 0.0000 2 1124 159 114 GLY CA C 46.0500 0.0000 1 1125 159 114 GLY N N 108.4100 0.0000 1 1126 160 115 ALA H H 8.0900 0.0000 1 1127 160 115 ALA HA H 4.2400 0.0000 1 1128 160 115 ALA HB H 1.4200 0.0000 1 1129 160 115 ALA CA C 53.2400 0.0000 1 1130 160 115 ALA CB C 18.7700 0.0000 1 1131 160 115 ALA N N 123.9000 0.0000 1 1132 161 116 ARG H H 7.9600 0.0000 1 1133 161 116 ARG HA H 4.2300 0.0000 1 1134 161 116 ARG HB2 H 1.9000 0.0000 2 1135 161 116 ARG HB3 H 1.8000 0.0000 2 1136 161 116 ARG HG2 H 1.6600 0.0000 2 1137 161 116 ARG HG3 H 1.6800 0.0000 1 1138 161 116 ARG HD2 H 3.1720 0.0000 2 1139 161 116 ARG HD3 H 3.1720 0.0000 2 1140 161 116 ARG CA C 56.5800 0.0000 1 1141 161 116 ARG CB C 30.5000 0.0000 1 1142 161 116 ARG CG C 27.0860 0.0000 1 1143 161 116 ARG CD C 43.2600 0.0000 1 1144 161 116 ARG N N 118.2000 0.0000 1 1145 162 117 ALA H H 8.0000 0.0000 1 1146 162 117 ALA HA H 4.2500 0.0000 1 1147 162 117 ALA HB H 1.3900 0.0000 1 1148 162 117 ALA CA C 52.7000 0.0000 1 1149 162 117 ALA CB C 18.9000 0.0000 1 1150 162 117 ALA N N 123.4000 0.0000 1 1151 163 118 LYS H H 8.1880 0.0000 1 1152 163 118 LYS HA H 4.2600 0.0000 1 1153 163 118 LYS HB3 H 1.8220 0.0000 2 1154 163 118 LYS HG3 H 1.4630 0.0000 2 1155 163 118 LYS HD2 H 1.6660 0.0000 2 1156 163 118 LYS HE2 H 2.9920 0.0000 2 1157 163 118 LYS CA C 56.6700 0.0000 1 1158 163 118 LYS CB C 32.9510 0.0000 1 1159 163 118 LYS CG C 24.9980 0.0000 1 1160 163 118 LYS CD C 29.0560 0.0000 1 1161 163 118 LYS CE C 42.2030 0.0000 1 1162 163 118 LYS N N 119.8900 0.0000 1 1163 164 119 GLY H H 8.2900 0.0000 1 1164 164 119 GLY HA2 H 3.8900 0.0000 2 1165 164 119 GLY HA3 H 3.8900 0.0000 2 1166 164 119 GLY CA C 45.2200 0.0000 1 1167 164 119 GLY N N 108.9600 0.0000 1 1168 165 120 HIS H H 8.1140 0.0000 1 1169 165 120 HIS N N 118.9640 0.0000 1 stop_ save_