data_26992 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Isolated voltage-sensing domain from second subunit of human sodium channel Nav1.4 in the LPPG micelles, N-formilated form ; _BMRB_accession_number 26992 _BMRB_flat_file_name bmr26992.str _Entry_type original _Submission_date 2017-01-09 _Accession_date 2017-01-09 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Voltage-sensing domain from second subunit of human sodium channel Nav1.4 with N-terminal formyl group.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Myshkin Mikhail Yu. . 2 Paramonov Alexander S. . 3 Arseniev Alexander S. . 4 Shenkarev Zakhar O. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 705 "13C chemical shifts" 503 "15N chemical shifts" 149 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-01-19 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 26993 'Nav1.4 with N-terminal formyl group' stop_ _Original_release_date 2017-01-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR investigation of the isolated second voltage-sensing domain of human Nav1.4 channel ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28065835 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Paramonov Alexander S. . 2 Lyukmanova Ekaterina N. . 3 Myshkin Mikhail Yu. . 4 Shulepko Mikhail A. . 5 Kulbatskii Dmitrii S. . 6 Petrosian Nikolay S. . 7 Chugunov Anton O. . 8 Dolgikh Dmitrii A. . 9 Kirpichnikov Mikhail P. . 10 Arseniev Alexander S. . 11 Shenkarev Zakhar O. . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta' _Journal_volume 1859 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 493 _Page_last 506 _Year 2017 _Details . loop_ _Keyword 'NMR spectroscopy' 'Na+ channels' 'cell-free expression' 'voltage-sensing domain' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name NavII _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label NavIIform $Nav1.4-II stop_ _System_molecular_weight 17473 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Nav1.4-II _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Nav1.4-II _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'ionic channel' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 153 _Mol_residue_sequence ; XGKVLIWNSSAPWLKFKNII HLIVMDPFVDLGITISIVLN TLFMAMEHYPMTEHFDNVLT VGNLVFTGIFTAEMVLKLIA MDPYEYFQQGWNIFDSIIVT LSLVELGLANVQGLSVLRSF RLLRVFKLAKSWPTLNMLIK IIGNSGSHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 FME 2 GLY 3 LYS 4 VAL 5 LEU 6 ILE 7 TRP 8 ASN 9 SER 10 SER 11 ALA 12 PRO 13 TRP 14 LEU 15 LYS 16 PHE 17 LYS 18 ASN 19 ILE 20 ILE 21 HIS 22 LEU 23 ILE 24 VAL 25 MET 26 ASP 27 PRO 28 PHE 29 VAL 30 ASP 31 LEU 32 GLY 33 ILE 34 THR 35 ILE 36 SER 37 ILE 38 VAL 39 LEU 40 ASN 41 THR 42 LEU 43 PHE 44 MET 45 ALA 46 MET 47 GLU 48 HIS 49 TYR 50 PRO 51 MET 52 THR 53 GLU 54 HIS 55 PHE 56 ASP 57 ASN 58 VAL 59 LEU 60 THR 61 VAL 62 GLY 63 ASN 64 LEU 65 VAL 66 PHE 67 THR 68 GLY 69 ILE 70 PHE 71 THR 72 ALA 73 GLU 74 MET 75 VAL 76 LEU 77 LYS 78 LEU 79 ILE 80 ALA 81 MET 82 ASP 83 PRO 84 TYR 85 GLU 86 TYR 87 PHE 88 GLN 89 GLN 90 GLY 91 TRP 92 ASN 93 ILE 94 PHE 95 ASP 96 SER 97 ILE 98 ILE 99 VAL 100 THR 101 LEU 102 SER 103 LEU 104 VAL 105 GLU 106 LEU 107 GLY 108 LEU 109 ALA 110 ASN 111 VAL 112 GLN 113 GLY 114 LEU 115 SER 116 VAL 117 LEU 118 ARG 119 SER 120 PHE 121 ARG 122 LEU 123 LEU 124 ARG 125 VAL 126 PHE 127 LYS 128 LEU 129 ALA 130 LYS 131 SER 132 TRP 133 PRO 134 THR 135 LEU 136 ASN 137 MET 138 LEU 139 ILE 140 LYS 141 ILE 142 ILE 143 GLY 144 ASN 145 SER 146 GLY 147 SER 148 HIS 149 HIS 150 HIS 151 HIS 152 HIS 153 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UNP P35499 . . . . . . stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_FME _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common N-FORMYLMETHIONINE _BMRB_code FME _PDB_code FME _Standard_residue_derivative . _Molecular_mass 177.221 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CN CN C . 0 . ? O1 O1 O . 0 . ? CA CA C . 0 . ? CB CB C . 0 . ? CG CG C . 0 . ? SD SD S . 0 . ? CE CE C . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? H H H . 0 . ? HCN HCN H . 0 . ? HA HA H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HG2 HG2 H . 0 . ? HG3 HG3 H . 0 . ? HE1 HE1 H . 0 . ? HE2 HE2 H . 0 . ? HE3 HE3 H . 0 . ? HXT HXT H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CN ? ? SING N CA ? ? SING N H ? ? DOUB CN O1 ? ? SING CN HCN ? ? SING CA CB ? ? SING CA C ? ? SING CA HA ? ? SING CB CG ? ? SING CB HB2 ? ? SING CB HB3 ? ? SING CG SD ? ? SING CG HG2 ? ? SING CG HG3 ? ? SING SD CE ? ? SING CE HE1 ? ? SING CE HE2 ? ? SING CE HE3 ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Nav1.4-II 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 $Nav1.4-II 'cell free synthesis' . . . . pIVEX2.3d stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelle _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Nav1.4-II 0.6 mM '[U-99% 13C; U-99% 15N]' LPPG 5 % 'natural abundance' stop_ save_ save_Sel1_CN-Ile _Saveframe_category sample _Sample_type micelle _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Nav1.4-II 0.1 mM '[U-13C; U-15N]-Ile' LPPG 5 % 'natural abundance' stop_ save_ save_Sel2_Leu_Val _Saveframe_category sample _Sample_type micelle _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Nav1.4-II 0.1 mM '[U-15N]-Leu; [13C(1)]-Val' LPPG 5 % 'natural abundance' stop_ save_ save_Sel3_TIFW _Saveframe_category sample _Sample_type micelle _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Nav1.4-II 0.1 mM '[U-15N]-Thr; [13C(1)]-Ile; [13C(1)]-Phe; [U-13C; U-15N]-Trp]' LPPG 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_MDDNMR _Saveframe_category software _Name MDDNMR _Version . loop_ _Vendor _Address _Electronic_address 'Vladislav Orekhov, Maxim Mayzel' . vladislav.orekhov@nmr.gu.se stop_ loop_ _Task processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Rochus Keller' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_800 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $Sel1_CN-Ile save_ save_2D_HNCO_1H-15N_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HNCO 1H-15N' _Sample_label $Sel1_CN-Ile save_ save_2D_HNCA_1H-15N_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HNCA 1H-15N' _Sample_label $Sel1_CN-Ile save_ save_3D_1H-15N_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $Sel1_CN-Ile save_ save_2D_1H-15N_HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $Sel2_Leu_Val save_ save_2D_HNCO_1H-15N_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HNCO 1H-15N' _Sample_label $Sel2_Leu_Val save_ save_2D_HNCA_1H-15N_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HNCA 1H-15N' _Sample_label $Sel2_Leu_Val save_ save_2D_1H-15N_HSQC_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $Sel3_TIFW save_ save_2D_HNCO_1H-15N_20 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HNCO 1H-15N' _Sample_label $Sel3_TIFW save_ save_2D_HNCA_1H-15N_21 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HNCA 1H-15N' _Sample_label $Sel3_TIFW save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.02 . M pH 6.0 . pH pressure 1 . atm temperature 318 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio TMS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 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_formil _Saveframe_category assigned_chemical_shifts _Details ; All 13C resonances referencing were done respectively TMS (which 13C signal was taken as 0ppm). To align the shifts with DSS referencing, all 13C shifts need to be subtracted 2.66ppm. ; loop_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-13C HSQC' '3D HNCO' '3D HNCACB' '3D HCCH-TOCSY' '2D HNCA 1H-15N' stop_ loop_ _Sample_label $sample_1 $Sel1_CN-Ile stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name NavIIform _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 FME H H 8.748 0.020 1 2 1 1 FME HA H 4.490 0.020 1 3 1 1 FME HB2 H 2.170 0.020 2 4 1 1 FME HB3 H 2.170 0.020 2 5 1 1 FME HG2 H 2.676 0.020 2 6 1 1 FME HG3 H 2.676 0.020 2 7 1 1 FME C C 174.209 0.400 1 8 1 1 FME CA C 52.892 0.400 1 9 1 1 FME CB C 30.308 0.400 1 10 1 1 FME N N 127.958 0.400 1 11 2 2 GLY H H 8.786 0.020 1 12 2 2 GLY HA2 H 4.021 0.020 2 13 2 2 GLY HA3 H 3.969 0.020 2 14 2 2 GLY C C 172.383 0.400 1 15 2 2 GLY CA C 43.846 0.400 1 16 2 2 GLY N N 107.701 0.400 1 17 3 3 LYS H H 7.938 0.020 1 18 3 3 LYS HA H 4.294 0.020 1 19 3 3 LYS HB2 H 1.876 0.020 2 20 3 3 LYS HB3 H 1.876 0.020 2 21 3 3 LYS C C 174.348 0.400 1 22 3 3 LYS CA C 54.850 0.400 1 23 3 3 LYS CB C 29.995 0.400 1 24 3 3 LYS N N 119.311 0.400 1 25 4 4 VAL H H 7.716 0.020 1 26 4 4 VAL HA H 4.047 0.020 1 27 4 4 VAL HB H 2.285 0.020 1 28 4 4 VAL HG1 H 1.089 0.020 2 29 4 4 VAL HG2 H 1.037 0.020 2 30 4 4 VAL C C 173.339 0.400 1 31 4 4 VAL CA C 60.984 0.400 1 32 4 4 VAL CB C 29.687 0.400 1 33 4 4 VAL CG1 C 18.772 0.400 2 34 4 4 VAL N N 116.450 0.400 1 35 5 5 LEU H H 7.808 0.020 1 36 5 5 LEU HA H 4.315 0.020 1 37 5 5 LEU HB2 H 1.794 0.020 2 38 5 5 LEU HB3 H 1.794 0.020 2 39 5 5 LEU HG H 1.578 0.020 1 40 5 5 LEU HD1 H 0.942 0.020 2 41 5 5 LEU HD2 H 1.010 0.020 2 42 5 5 LEU C C 174.800 0.400 1 43 5 5 LEU CA C 53.046 0.400 1 44 5 5 LEU CB C 39.003 0.400 1 45 5 5 LEU N N 120.215 0.400 1 46 6 6 ILE H H 7.559 0.020 1 47 6 6 ILE HA H 4.173 0.020 1 48 6 6 ILE HB H 1.953 0.020 1 49 6 6 ILE HG12 H 1.170 0.020 2 50 6 6 ILE HG13 H 1.427 0.020 2 51 6 6 ILE HG2 H 0.878 0.020 1 52 6 6 ILE HD1 H 0.881 0.020 1 53 6 6 ILE C C 173.779 0.400 1 54 6 6 ILE CA C 59.515 0.400 1 55 6 6 ILE CB C 35.662 0.400 1 56 6 6 ILE CG1 C 24.656 0.400 1 57 6 6 ILE CG2 C 15.021 0.400 1 58 6 6 ILE CD1 C 10.667 0.400 1 59 6 6 ILE N N 117.695 0.400 1 60 7 7 TRP H H 7.876 0.020 1 61 7 7 TRP HA H 4.181 0.020 1 62 7 7 TRP HB2 H 3.366 0.020 2 63 7 7 TRP HB3 H 3.366 0.020 2 64 7 7 TRP HD1 H 7.311 0.020 1 65 7 7 TRP HE1 H 10.087 0.020 1 66 7 7 TRP HZ2 H 7.455 0.020 1 67 7 7 TRP C C 173.704 0.400 1 68 7 7 TRP CA C 55.237 0.400 1 69 7 7 TRP CB C 26.748 0.400 1 70 7 7 TRP N N 121.817 0.400 1 71 7 7 TRP NE1 N 128.886 0.400 1 72 8 8 ASN H H 8.097 0.020 1 73 8 8 ASN HA H 4.387 0.020 1 74 8 8 ASN HB2 H 2.810 0.020 2 75 8 8 ASN HB3 H 2.810 0.020 2 76 8 8 ASN HD21 H 7.574 0.020 2 77 8 8 ASN HD22 H 6.821 0.020 2 78 8 8 ASN C C 172.727 0.400 1 79 8 8 ASN CA C 51.423 0.400 1 80 8 8 ASN CB C 36.252 0.400 1 81 8 8 ASN N N 118.550 0.400 1 82 8 8 ASN ND2 N 111.601 0.400 1 83 9 9 SER H H 8.019 0.020 1 84 9 9 SER HA H 4.560 0.020 1 85 9 9 SER HB2 H 4.074 0.020 2 86 9 9 SER HB3 H 3.955 0.020 2 87 9 9 SER C C 171.706 0.400 1 88 9 9 SER CA C 56.139 0.400 1 89 9 9 SER CB C 61.389 0.400 1 90 9 9 SER N N 114.243 0.400 1 91 10 10 SER H H 8.191 0.020 1 92 10 10 SER HA H 4.576 0.020 1 93 10 10 SER HB2 H 4.084 0.020 2 94 10 10 SER HB3 H 4.084 0.020 2 95 10 10 SER C C 171.648 0.400 1 96 10 10 SER CA C 56.300 0.400 1 97 10 10 SER CB C 61.447 0.400 1 98 10 10 SER N N 116.564 0.400 1 99 11 11 ALA H H 8.320 0.020 1 100 11 11 ALA HA H 4.265 0.020 1 101 11 11 ALA HB H 1.267 0.020 1 102 11 11 ALA C C 173.983 0.400 1 103 11 11 ALA CA C 50.750 0.400 1 104 11 11 ALA CB C 14.568 0.400 1 105 11 11 ALA N N 124.608 0.400 1 106 12 12 PRO HA H 4.381 0.020 1 107 12 12 PRO HB2 H 1.848 0.020 2 108 12 12 PRO HB3 H 2.246 0.020 2 109 12 12 PRO HG2 H 1.966 0.020 2 110 12 12 PRO HG3 H 2.025 0.020 2 111 12 12 PRO HD2 H 3.748 0.020 2 112 12 12 PRO HD3 H 3.638 0.020 2 113 12 12 PRO C C 174.679 0.400 1 114 12 12 PRO CA C 62.486 0.400 1 115 12 12 PRO CB C 28.578 0.400 1 116 12 12 PRO CG C 25.168 0.400 1 117 12 12 PRO CD C 47.515 0.400 1 118 13 13 TRP H H 7.252 0.020 1 119 13 13 TRP HA H 4.664 0.020 1 120 13 13 TRP HB2 H 3.443 0.020 2 121 13 13 TRP HB3 H 3.443 0.020 2 122 13 13 TRP HD1 H 7.371 0.020 1 123 13 13 TRP HE1 H 10.521 0.020 1 124 13 13 TRP HZ2 H 7.569 0.020 1 125 13 13 TRP C C 174.402 0.400 1 126 13 13 TRP CA C 55.959 0.400 1 127 13 13 TRP CB C 26.734 0.400 1 128 13 13 TRP N N 115.844 0.400 1 129 13 13 TRP NE1 N 129.754 0.400 1 130 14 14 LEU H H 7.819 0.020 1 131 14 14 LEU HA H 4.160 0.020 1 132 14 14 LEU HB2 H 1.766 0.020 2 133 14 14 LEU HB3 H 1.766 0.020 2 134 14 14 LEU HD1 H 1.341 0.020 2 135 14 14 LEU HD2 H 1.003 0.020 2 136 14 14 LEU C C 176.343 0.400 1 137 14 14 LEU CA C 54.846 0.400 1 138 14 14 LEU CB C 39.134 0.400 1 139 14 14 LEU N N 119.099 0.400 1 140 15 15 LYS H H 7.858 0.020 1 141 15 15 LYS HA H 4.274 0.020 1 142 15 15 LYS HB2 H 1.944 0.020 2 143 15 15 LYS HB3 H 1.944 0.020 2 144 15 15 LYS HG2 H 1.764 0.020 2 145 15 15 LYS HD2 H 1.549 0.020 2 146 15 15 LYS HE2 H 3.046 0.020 2 147 15 15 LYS HE3 H 3.046 0.020 2 148 15 15 LYS C C 175.584 0.400 1 149 15 15 LYS CA C 55.495 0.400 1 150 15 15 LYS CB C 29.622 0.400 1 151 15 15 LYS CG C 26.532 0.400 1 152 15 15 LYS CE C 39.537 0.400 1 153 15 15 LYS N N 118.424 0.400 1 154 16 16 PHE H H 8.153 0.020 1 155 16 16 PHE HA H 4.463 0.020 1 156 16 16 PHE HB2 H 3.370 0.020 2 157 16 16 PHE HB3 H 3.297 0.020 2 158 16 16 PHE C C 174.187 0.400 1 159 16 16 PHE CA C 57.666 0.400 1 160 16 16 PHE CB C 36.440 0.400 1 161 16 16 PHE N N 119.083 0.400 1 162 17 17 LYS H H 8.350 0.020 1 163 17 17 LYS HB2 H 1.830 0.020 2 164 17 17 LYS HG3 H 1.361 0.020 2 165 17 17 LYS HE2 H 2.976 0.020 2 166 17 17 LYS HE3 H 2.976 0.020 2 167 17 17 LYS C C 175.326 0.400 1 168 17 17 LYS CA C 57.479 0.400 1 169 17 17 LYS CB C 29.298 0.400 1 170 17 17 LYS CG C 22.589 0.400 1 171 17 17 LYS CE C 39.384 0.400 1 172 17 17 LYS N N 118.175 0.400 1 173 18 18 ASN H H 7.999 0.020 1 174 18 18 ASN HA H 4.466 0.020 1 175 18 18 ASN HB2 H 3.032 0.020 2 176 18 18 ASN HB3 H 3.032 0.020 2 177 18 18 ASN HD21 H 7.753 0.020 2 178 18 18 ASN HD22 H 6.946 0.020 2 179 18 18 ASN C C 174.832 0.400 1 180 18 18 ASN CA C 53.227 0.400 1 181 18 18 ASN CB C 35.752 0.400 1 182 18 18 ASN N N 116.578 0.400 1 183 18 18 ASN ND2 N 111.533 0.400 1 184 19 19 ILE H H 7.974 0.020 1 185 19 19 ILE HA H 3.985 0.020 1 186 19 19 ILE HB H 2.128 0.020 1 187 19 19 ILE HG12 H 1.399 0.020 2 188 19 19 ILE HG13 H 1.826 0.020 2 189 19 19 ILE HG2 H 1.038 0.020 1 190 19 19 ILE HD1 H 1.010 0.020 1 191 19 19 ILE C C 174.567 0.400 1 192 19 19 ILE CA C 61.706 0.400 1 193 19 19 ILE CB C 35.151 0.400 1 194 19 19 ILE CG1 C 26.342 0.400 1 195 19 19 ILE CG2 C 15.187 0.400 1 196 19 19 ILE CD1 C 10.770 0.400 1 197 19 19 ILE N N 119.682 0.400 1 198 20 20 ILE H H 7.889 0.020 1 199 20 20 ILE HA H 3.796 0.020 1 200 20 20 ILE HB H 1.971 0.020 1 201 20 20 ILE HG12 H 1.201 0.020 2 202 20 20 ILE HG13 H 1.450 0.020 2 203 20 20 ILE HG2 H 0.947 0.020 1 204 20 20 ILE HD1 H 0.827 0.020 1 205 20 20 ILE C C 174.588 0.400 1 206 20 20 ILE CA C 61.397 0.400 1 207 20 20 ILE CB C 34.257 0.400 1 208 20 20 ILE CG1 C 25.690 0.400 1 209 20 20 ILE CG2 C 15.275 0.400 1 210 20 20 ILE CD1 C 9.743 0.400 1 211 20 20 ILE N N 118.211 0.400 1 212 21 21 HIS H H 7.979 0.020 1 213 21 21 HIS HA H 4.475 0.020 1 214 21 21 HIS HB2 H 3.498 0.020 2 215 21 21 HIS HB3 H 3.446 0.020 2 216 21 21 HIS C C 172.963 0.400 1 217 21 21 HIS CA C 55.598 0.400 1 218 21 21 HIS CB C 25.801 0.400 1 219 21 21 HIS N N 116.561 0.400 1 220 22 22 LEU H H 7.786 0.020 1 221 22 22 LEU HA H 4.192 0.020 1 222 22 22 LEU HB2 H 2.010 0.020 2 223 22 22 LEU HB3 H 2.010 0.020 2 224 22 22 LEU C C 175.519 0.400 1 225 22 22 LEU CA C 54.722 0.400 1 226 22 22 LEU CB C 39.812 0.400 1 227 22 22 LEU N N 117.945 0.400 1 228 23 23 ILE H H 7.759 0.020 1 229 23 23 ILE HA H 4.030 0.020 1 230 23 23 ILE HB H 2.094 0.020 1 231 23 23 ILE HG12 H 1.819 0.020 2 232 23 23 ILE HG13 H 1.819 0.020 2 233 23 23 ILE HG2 H 1.017 0.020 1 234 23 23 ILE HD1 H 0.942 0.020 1 235 23 23 ILE C C 173.511 0.400 1 236 23 23 ILE CA C 60.649 0.400 1 237 23 23 ILE CB C 35.728 0.400 1 238 23 23 ILE CG1 C 26.692 0.400 1 239 23 23 ILE N N 116.030 0.400 1 240 24 24 VAL H H 7.797 0.020 1 241 24 24 VAL HA H 4.128 0.020 1 242 24 24 VAL HB H 2.311 0.020 1 243 24 24 VAL HG1 H 1.077 0.020 2 244 24 24 VAL HG2 H 1.077 0.020 2 245 24 24 VAL C C 173.564 0.400 1 246 24 24 VAL CA C 60.907 0.400 1 247 24 24 VAL CB C 29.437 0.400 1 248 24 24 VAL CG1 C 18.738 0.400 2 249 24 24 VAL N N 115.524 0.400 1 250 25 25 MET H H 7.763 0.020 1 251 25 25 MET HA H 4.516 0.020 1 252 25 25 MET HB2 H 2.590 0.020 2 253 25 25 MET HB3 H 2.590 0.020 2 254 25 25 MET C C 173.726 0.400 1 255 25 25 MET CA C 53.742 0.400 1 256 25 25 MET CB C 29.587 0.400 1 257 25 25 MET N N 118.035 0.400 1 258 26 26 ASP H H 8.037 0.020 1 259 26 26 ASP HA H 4.894 0.020 1 260 26 26 ASP HB2 H 3.034 0.020 2 261 26 26 ASP HB3 H 3.034 0.020 2 262 26 26 ASP CA C 51.217 0.400 1 263 26 26 ASP CB C 36.977 0.400 1 264 26 26 ASP N N 118.450 0.400 1 265 27 27 PRO HA H 4.488 0.020 1 266 27 27 PRO HB2 H 2.226 0.020 2 267 27 27 PRO HB3 H 1.647 0.020 2 268 27 27 PRO HG2 H 1.956 0.020 2 269 27 27 PRO HG3 H 1.740 0.020 2 270 27 27 PRO HD2 H 3.850 0.020 2 271 27 27 PRO HD3 H 3.721 0.020 2 272 27 27 PRO C C 174.553 0.400 1 273 27 27 PRO CA C 61.765 0.400 1 274 27 27 PRO CB C 29.022 0.400 1 275 27 27 PRO CG C 24.378 0.400 1 276 27 27 PRO CD C 47.631 0.400 1 277 28 28 PHE H H 7.949 0.020 1 278 28 28 PHE HA H 4.603 0.020 1 279 28 28 PHE HB2 H 3.371 0.020 2 280 28 28 PHE HB3 H 3.231 0.020 2 281 28 28 PHE HD1 H 7.415 0.020 1 282 28 28 PHE HD2 H 7.415 0.020 1 283 28 28 PHE C C 174.016 0.400 1 284 28 28 PHE CA C 56.294 0.400 1 285 28 28 PHE CB C 36.065 0.400 1 286 28 28 PHE N N 116.535 0.400 1 287 29 29 VAL H H 7.659 0.020 1 288 29 29 VAL HA H 4.074 0.020 1 289 29 29 VAL HB H 2.221 0.020 1 290 29 29 VAL HG1 H 1.048 0.020 2 291 29 29 VAL HG2 H 1.090 0.020 2 292 29 29 VAL C C 173.801 0.400 1 293 29 29 VAL CA C 61.191 0.400 1 294 29 29 VAL CB C 29.994 0.400 1 295 29 29 VAL CG1 C 18.572 0.400 2 296 29 29 VAL CG2 C 18.888 0.400 2 297 29 29 VAL N N 118.777 0.400 1 298 30 30 ASP H H 8.274 0.020 1 299 30 30 ASP HA H 4.767 0.020 1 300 30 30 ASP HB2 H 2.934 0.020 2 301 30 30 ASP HB3 H 2.796 0.020 2 302 30 30 ASP C C 174.670 0.400 1 303 30 30 ASP CA C 52.247 0.400 1 304 30 30 ASP CB C 36.352 0.400 1 305 30 30 ASP N N 120.844 0.400 1 306 32 32 GLY H H 8.411 0.020 1 307 32 32 GLY HA2 H 3.875 0.020 2 308 32 32 GLY HA3 H 4.117 0.020 2 309 32 32 GLY C C 173.575 0.400 1 310 32 32 GLY CA C 44.541 0.400 1 311 32 32 GLY N N 106.781 0.400 1 312 37 37 ILE H H 8.032 0.020 1 313 37 37 ILE HG2 H 1.310 0.020 1 314 37 37 ILE HD1 H 1.036 0.020 1 315 37 37 ILE C C 176.835 0.400 1 316 37 37 ILE CA C 62.375 0.400 1 317 37 37 ILE N N 121.965 0.400 1 318 38 38 VAL H H 8.260 0.020 1 319 38 38 VAL HA H 3.664 0.020 1 320 38 38 VAL HB H 2.388 0.020 1 321 38 38 VAL HG1 H 1.168 0.020 2 322 38 38 VAL HG2 H 1.028 0.020 2 323 38 38 VAL C C 174.918 0.400 1 324 38 38 VAL CA C 64.859 0.400 1 325 38 38 VAL CB C 29.218 0.400 1 326 38 38 VAL CG1 C 20.541 0.400 2 327 38 38 VAL CG2 C 18.912 0.400 2 328 38 38 VAL N N 122.557 0.400 1 329 39 39 LEU H H 8.696 0.020 1 330 39 39 LEU HA H 3.996 0.020 1 331 39 39 LEU HB2 H 1.953 0.020 2 332 39 39 LEU HB3 H 1.953 0.020 2 333 39 39 LEU HG H 1.788 0.020 1 334 39 39 LEU HD1 H 0.992 0.020 2 335 39 39 LEU HD2 H 0.992 0.020 2 336 39 39 LEU C C 175.723 0.400 1 337 39 39 LEU CA C 55.727 0.400 1 338 39 39 LEU CB C 38.851 0.400 1 339 39 39 LEU CG C 26.576 0.400 1 340 39 39 LEU CD1 C 22.863 0.400 2 341 39 39 LEU N N 118.589 0.400 1 342 40 40 ASN H H 8.465 0.020 1 343 40 40 ASN HA H 4.616 0.020 1 344 40 40 ASN HB2 H 3.094 0.020 2 345 40 40 ASN HB3 H 2.946 0.020 2 346 40 40 ASN HD21 H 6.958 0.020 2 347 40 40 ASN HD22 H 7.709 0.020 2 348 40 40 ASN C C 175.594 0.400 1 349 40 40 ASN CA C 54.387 0.400 1 350 40 40 ASN CB C 36.290 0.400 1 351 40 40 ASN N N 116.129 0.400 1 352 40 40 ASN ND2 N 112.272 0.400 1 353 41 41 THR H H 8.155 0.020 1 354 41 41 THR HA H 4.079 0.020 1 355 41 41 THR HB H 4.486 0.020 1 356 41 41 THR HG2 H 1.347 0.020 1 357 41 41 THR C C 173.506 0.400 1 358 41 41 THR CA C 64.872 0.400 1 359 41 41 THR N N 116.616 0.400 1 360 42 42 LEU H H 8.312 0.020 1 361 42 42 LEU HA H 4.142 0.020 1 362 42 42 LEU HB2 H 1.874 0.020 2 363 42 42 LEU HB3 H 1.874 0.020 2 364 42 42 LEU HG H 1.678 0.020 1 365 42 42 LEU HD1 H 0.917 0.020 2 366 42 42 LEU HD2 H 0.974 0.020 2 367 42 42 LEU C C 175.788 0.400 1 368 42 42 LEU CA C 55.933 0.400 1 369 42 42 LEU CB C 39.010 0.400 1 370 42 42 LEU CG C 24.580 0.400 1 371 42 42 LEU CD1 C 21.637 0.400 2 372 42 42 LEU CD2 C 22.390 0.400 2 373 42 42 LEU N N 122.387 0.400 1 374 43 43 PHE H H 8.690 0.020 1 375 43 43 PHE HA H 4.506 0.020 1 376 43 43 PHE HB2 H 3.346 0.020 2 377 43 43 PHE HB3 H 3.408 0.020 2 378 43 43 PHE C C 176.024 0.400 1 379 43 43 PHE CA C 58.021 0.400 1 380 43 43 PHE CB C 35.310 0.400 1 381 43 43 PHE N N 117.916 0.400 1 382 44 44 MET H H 8.259 0.020 1 383 44 44 MET HA H 4.358 0.020 1 384 44 44 MET HB2 H 2.972 0.020 2 385 44 44 MET HB3 H 2.757 0.020 2 386 44 44 MET HG2 H 2.481 0.020 2 387 44 44 MET HG3 H 2.305 0.020 2 388 44 44 MET C C 176.432 0.400 1 389 44 44 MET CA C 55.937 0.400 1 390 44 44 MET CB C 29.601 0.400 1 391 44 44 MET CG C 29.832 0.400 1 392 44 44 MET N N 118.436 0.400 1 393 45 45 ALA H H 8.314 0.020 1 394 45 45 ALA HA H 4.300 0.020 1 395 45 45 ALA HB H 1.705 0.020 1 396 45 45 ALA C C 176.958 0.400 1 397 45 45 ALA CA C 52.711 0.400 1 398 45 45 ALA CB C 15.637 0.400 1 399 45 45 ALA N N 122.386 0.400 1 400 46 46 MET H H 8.264 0.020 1 401 46 46 MET HA H 4.335 0.020 1 402 46 46 MET HB2 H 2.864 0.020 2 403 46 46 MET HB3 H 2.691 0.020 2 404 46 46 MET C C 175.251 0.400 1 405 46 46 MET CA C 55.649 0.400 1 406 46 46 MET CB C 30.135 0.400 1 407 46 46 MET N N 115.432 0.400 1 408 47 47 GLU H H 7.842 0.020 1 409 47 47 GLU HA H 4.203 0.020 1 410 47 47 GLU HB2 H 2.093 0.020 2 411 47 47 GLU HB3 H 2.155 0.020 2 412 47 47 GLU HG2 H 2.307 0.020 2 413 47 47 GLU HG3 H 2.435 0.020 2 414 47 47 GLU C C 174.553 0.400 1 415 47 47 GLU CA C 55.443 0.400 1 416 47 47 GLU CB C 26.431 0.400 1 417 47 47 GLU N N 116.521 0.400 1 418 48 48 HIS H H 7.874 0.020 1 419 48 48 HIS HA H 4.624 0.020 1 420 48 48 HIS HB2 H 3.206 0.020 2 421 48 48 HIS HB3 H 3.307 0.020 2 422 48 48 HIS C C 171.298 0.400 1 423 48 48 HIS CA C 53.665 0.400 1 424 48 48 HIS CB C 26.571 0.400 1 425 48 48 HIS N N 114.535 0.400 1 426 49 49 TYR H H 7.942 0.020 1 427 49 49 TYR HA H 4.959 0.020 1 428 49 49 TYR HB2 H 3.089 0.020 2 429 49 49 TYR HB3 H 3.189 0.020 2 430 49 49 TYR C C 170.971 0.400 1 431 49 49 TYR CA C 53.616 0.400 1 432 49 49 TYR CB C 36.248 0.400 1 433 49 49 TYR N N 120.635 0.400 1 434 50 50 PRO HA H 4.660 0.020 1 435 50 50 PRO HB2 H 2.313 0.020 2 436 50 50 PRO HB3 H 2.313 0.020 2 437 50 50 PRO HG2 H 2.106 0.020 2 438 50 50 PRO HG3 H 2.072 0.020 2 439 50 50 PRO HD2 H 3.788 0.020 2 440 50 50 PRO HD3 H 3.502 0.020 2 441 50 50 PRO C C 174.792 0.400 1 442 50 50 PRO CA C 61.102 0.400 1 443 50 50 PRO CB C 28.432 0.400 1 444 50 50 PRO CG C 25.064 0.400 1 445 50 50 PRO CD C 47.849 0.400 1 446 51 51 MET H H 8.293 0.020 1 447 51 51 MET HA H 4.522 0.020 1 448 51 51 MET HB2 H 2.226 0.020 2 449 51 51 MET HB3 H 2.226 0.020 2 450 51 51 MET HG2 H 2.723 0.020 2 451 51 51 MET HG3 H 2.774 0.020 2 452 51 51 MET C C 174.467 0.400 1 453 51 51 MET CA C 54.609 0.400 1 454 51 51 MET CB C 30.437 0.400 1 455 51 51 MET CG C 29.827 0.400 1 456 51 51 MET N N 119.945 0.400 1 457 52 52 THR H H 8.039 0.020 1 458 52 52 THR HA H 4.151 0.020 1 459 52 52 THR HB H 4.423 0.020 1 460 52 52 THR C C 172.920 0.400 1 461 52 52 THR CA C 60.850 0.400 1 462 52 52 THR CB C 66.570 0.400 1 463 52 52 THR N N 110.567 0.400 1 464 53 53 GLU H H 8.083 0.020 1 465 53 53 GLU HA H 4.294 0.020 1 466 53 53 GLU HB2 H 1.986 0.020 2 467 53 53 GLU HB3 H 1.986 0.020 2 468 53 53 GLU HG2 H 2.273 0.020 2 469 53 53 GLU HG3 H 2.273 0.020 2 470 53 53 GLU C C 174.198 0.400 1 471 53 53 GLU CA C 55.005 0.400 1 472 53 53 GLU CB C 26.931 0.400 1 473 53 53 GLU CG C 32.890 0.400 1 474 53 53 GLU N N 120.521 0.400 1 475 54 54 HIS H H 8.060 0.020 1 476 54 54 HIS HA H 4.859 0.020 1 477 54 54 HIS HB2 H 3.397 0.020 2 478 54 54 HIS HB3 H 3.112 0.020 2 479 54 54 HIS C C 172.501 0.400 1 480 54 54 HIS CA C 53.253 0.400 1 481 54 54 HIS CB C 26.556 0.400 1 482 54 54 HIS N N 115.617 0.400 1 483 55 55 PHE H H 8.209 0.020 1 484 55 55 PHE HA H 4.670 0.020 1 485 55 55 PHE HB2 H 3.362 0.020 2 486 55 55 PHE HB3 H 3.267 0.020 2 487 55 55 PHE C C 173.412 0.400 1 488 55 55 PHE CA C 56.345 0.400 1 489 55 55 PHE CB C 36.502 0.400 1 490 55 55 PHE N N 119.817 0.400 1 491 56 56 ASP H H 8.499 0.020 1 492 56 56 ASP HA H 4.500 0.020 1 493 56 56 ASP HB2 H 2.843 0.020 2 494 56 56 ASP HB3 H 2.843 0.020 2 495 56 56 ASP C C 174.587 0.400 1 496 56 56 ASP CA C 53.588 0.400 1 497 56 56 ASP CB C 37.311 0.400 1 498 56 56 ASP N N 118.735 0.400 1 499 57 57 ASN H H 8.218 0.020 1 500 57 57 ASN HA H 4.750 0.020 1 501 57 57 ASN HB2 H 2.993 0.020 2 502 57 57 ASN HB3 H 2.993 0.020 2 503 57 57 ASN C C 173.739 0.400 1 504 57 57 ASN CA C 52.222 0.400 1 505 57 57 ASN CB C 36.186 0.400 1 506 57 57 ASN N N 116.863 0.400 1 507 58 58 VAL H H 7.951 0.020 1 508 58 58 VAL HA H 3.978 0.020 1 509 58 58 VAL HB H 2.295 0.020 1 510 58 58 VAL HG1 H 1.050 0.020 2 511 58 58 VAL HG2 H 1.147 0.020 2 512 58 58 VAL C C 173.962 0.400 1 513 58 58 VAL CA C 62.221 0.400 1 514 58 58 VAL CB C 29.499 0.400 1 515 58 58 VAL CG1 C 19.128 0.400 2 516 58 58 VAL CG2 C 18.734 0.400 2 517 58 58 VAL N N 118.236 0.400 1 518 59 59 LEU H H 7.987 0.020 1 519 59 59 LEU C C 175.170 0.400 1 520 59 59 LEU CA C 53.923 0.400 1 521 59 59 LEU N N 120.053 0.400 1 522 60 60 THR H H 7.903 0.020 1 523 60 60 THR HA H 4.382 0.020 1 524 60 60 THR HB H 4.487 0.020 1 525 60 60 THR HG2 H 1.353 0.020 1 526 60 60 THR C C 173.618 0.400 1 527 60 60 THR CA C 61.059 0.400 1 528 60 60 THR N N 113.865 0.400 1 529 61 61 VAL H H 8.199 0.020 1 530 61 61 VAL HA H 3.901 0.020 1 531 61 61 VAL HB H 2.289 0.020 1 532 61 61 VAL HG1 H 1.165 0.020 2 533 61 61 VAL HG2 H 1.068 0.020 2 534 61 61 VAL C C 174.939 0.400 1 535 61 61 VAL CA C 63.304 0.400 1 536 61 61 VAL CB C 29.194 0.400 1 537 61 61 VAL CG1 C 20.774 0.400 2 538 61 61 VAL CG2 C 18.878 0.400 2 539 61 61 VAL N N 120.954 0.400 1 540 62 62 GLY H H 8.655 0.020 1 541 62 62 GLY HA2 H 3.916 0.020 2 542 62 62 GLY HA3 H 3.812 0.020 2 543 62 62 GLY C C 172.362 0.400 1 544 62 62 GLY CA C 44.851 0.400 1 545 62 62 GLY N N 107.433 0.400 1 546 63 63 ASN H H 8.246 0.020 1 547 63 63 ASN HA H 4.700 0.020 1 548 63 63 ASN HB2 H 3.054 0.020 2 549 63 63 ASN HB3 H 3.017 0.020 2 550 63 63 ASN HD21 H 7.679 0.020 2 551 63 63 ASN HD22 H 7.032 0.020 2 552 63 63 ASN C C 175.218 0.400 1 553 63 63 ASN CA C 53.304 0.400 1 554 63 63 ASN CB C 36.123 0.400 1 555 63 63 ASN N N 118.784 0.400 1 556 63 63 ASN ND2 N 112.133 0.400 1 557 64 64 LEU H H 8.107 0.020 1 558 64 64 LEU HA H 4.290 0.020 1 559 64 64 LEU HB2 H 2.086 0.020 2 560 64 64 LEU HB3 H 1.967 0.020 2 561 64 64 LEU HG H 1.784 0.020 1 562 64 64 LEU HD1 H 1.352 0.020 2 563 64 64 LEU HD2 H 1.049 0.020 2 564 64 64 LEU C C 176.045 0.400 1 565 64 64 LEU CA C 55.443 0.400 1 566 64 64 LEU CB C 39.529 0.400 1 567 64 64 LEU CG C 26.699 0.400 1 568 64 64 LEU CD2 C 22.694 0.400 2 569 64 64 LEU N N 121.959 0.400 1 570 65 65 VAL H H 8.260 0.020 1 571 65 65 VAL HA H 3.790 0.020 1 572 65 65 VAL HB H 2.248 0.020 1 573 65 65 VAL HG1 H 1.111 0.020 2 574 65 65 VAL HG2 H 0.930 0.020 2 575 65 65 VAL C C 174.767 0.400 1 576 65 65 VAL CA C 63.642 0.400 1 577 65 65 VAL CB C 29.046 0.400 1 578 65 65 VAL CG1 C 20.103 0.400 2 579 65 65 VAL CG2 C 18.876 0.400 2 580 65 65 VAL N N 118.352 0.400 1 581 66 66 PHE H H 8.341 0.020 1 582 66 66 PHE HA H 4.441 0.020 1 583 66 66 PHE HB2 H 3.346 0.020 2 584 66 66 PHE HB3 H 3.346 0.020 2 585 66 66 PHE C C 174.735 0.400 1 586 66 66 PHE CA C 58.381 0.400 1 587 66 66 PHE N N 118.405 0.400 1 588 67 67 THR H H 8.274 0.020 1 589 67 67 THR HA H 4.201 0.020 1 590 67 67 THR HB H 4.479 0.020 1 591 67 67 THR HG2 H 1.423 0.020 1 592 67 67 THR C C 176.458 0.400 1 593 67 67 THR CA C 63.506 0.400 1 594 67 67 THR CB C 66.648 0.400 1 595 67 67 THR CG2 C 19.267 0.400 1 596 67 67 THR N N 113.470 0.400 1 597 72 72 ALA H H 8.524 0.020 1 598 72 72 ALA HA H 4.076 0.020 1 599 72 72 ALA HB H 1.605 0.020 1 600 72 72 ALA C C 176.335 0.400 1 601 72 72 ALA CA C 52.792 0.400 1 602 72 72 ALA CB C 15.627 0.400 1 603 72 72 ALA N N 123.628 0.400 1 604 73 73 GLU H H 8.488 0.020 1 605 73 73 GLU HA H 4.516 0.020 1 606 73 73 GLU HB2 H 2.172 0.020 2 607 73 73 GLU HB3 H 2.172 0.020 2 608 73 73 GLU HG2 H 2.417 0.020 2 609 73 73 GLU HG3 H 2.622 0.020 2 610 73 73 GLU C C 175.702 0.400 1 611 73 73 GLU CA C 57.093 0.400 1 612 73 73 GLU CG C 32.101 0.400 1 613 73 73 GLU N N 116.136 0.400 1 614 74 74 MET H H 7.946 0.020 1 615 74 74 MET C C 175.798 0.400 1 616 74 74 MET CA C 55.754 0.400 1 617 74 74 MET N N 118.199 0.400 1 618 75 75 VAL H H 8.056 0.020 1 619 75 75 VAL HA H 3.717 0.020 1 620 75 75 VAL HB H 2.313 0.020 1 621 75 75 VAL HG1 H 1.157 0.020 2 622 75 75 VAL HG2 H 1.026 0.020 2 623 75 75 VAL C C 174.896 0.400 1 624 75 75 VAL CA C 64.180 0.400 1 625 75 75 VAL CB C 29.018 0.400 1 626 75 75 VAL CG1 C 20.633 0.400 2 627 75 75 VAL CG2 C 19.212 0.400 2 628 75 75 VAL N N 118.800 0.400 1 629 76 76 LEU H H 8.215 0.020 1 630 76 76 LEU HA H 4.095 0.020 1 631 76 76 LEU HB2 H 1.946 0.020 2 632 76 76 LEU HG H 1.654 0.020 1 633 76 76 LEU HD1 H 0.974 0.020 2 634 76 76 LEU HD2 H 0.974 0.020 2 635 76 76 LEU C C 176.482 0.400 1 636 76 76 LEU CA C 55.521 0.400 1 637 76 76 LEU CB C 39.060 0.400 1 638 76 76 LEU CG C 24.822 0.400 1 639 76 76 LEU CD1 C 22.506 0.400 2 640 76 76 LEU N N 118.781 0.400 1 641 77 77 LYS H H 7.851 0.020 1 642 77 77 LYS C C 175.949 0.400 1 643 77 77 LYS CA C 56.809 0.400 1 644 77 77 LYS CB C 29.745 0.400 1 645 77 77 LYS N N 117.902 0.400 1 646 78 78 LEU H H 7.817 0.020 1 647 78 78 LEU HA H 4.256 0.020 1 648 78 78 LEU HB3 H 1.764 0.020 2 649 78 78 LEU C C 176.551 0.400 1 650 78 78 LEU CA C 55.160 0.400 1 651 78 78 LEU CB C 39.437 0.400 1 652 78 78 LEU N N 119.155 0.400 1 653 79 79 ILE H H 8.015 0.020 1 654 79 79 ILE HA H 3.887 0.020 1 655 79 79 ILE HB H 2.027 0.020 1 656 79 79 ILE HG12 H 1.340 0.020 2 657 79 79 ILE HG13 H 1.675 0.020 2 658 79 79 ILE HG2 H 0.969 0.020 1 659 79 79 ILE HD1 H 0.861 0.020 1 660 79 79 ILE C C 174.099 0.400 1 661 79 79 ILE CA C 61.180 0.400 1 662 79 79 ILE CB C 35.474 0.400 1 663 79 79 ILE CG2 C 15.066 0.400 1 664 79 79 ILE CD1 C 11.236 0.400 1 665 79 79 ILE N N 115.978 0.400 1 666 80 80 ALA H H 7.814 0.020 1 667 80 80 ALA C C 175.335 0.400 1 668 80 80 ALA CA C 50.778 0.400 1 669 80 80 ALA CB C 16.177 0.400 1 670 80 80 ALA N N 120.290 0.400 1 671 81 81 MET H H 7.659 0.020 1 672 81 81 MET HA H 4.452 0.020 1 673 81 81 MET HB2 H 2.270 0.020 2 674 81 81 MET HB3 H 2.270 0.020 2 675 81 81 MET HG2 H 2.853 0.020 2 676 81 81 MET HG3 H 2.723 0.020 2 677 81 81 MET CA C 54.077 0.400 1 678 81 81 MET CB C 29.736 0.400 1 679 81 81 MET N N 116.357 0.400 1 680 82 82 ASP H H 8.001 0.020 1 681 82 82 ASP HA H 5.013 0.020 1 682 82 82 ASP HB2 H 2.826 0.020 2 683 82 82 ASP HB3 H 3.184 0.020 2 684 82 82 ASP CA C 49.602 0.400 1 685 82 82 ASP CB C 37.711 0.400 1 686 82 82 ASP N N 116.802 0.400 1 687 83 83 PRO HA H 4.437 0.020 1 688 83 83 PRO HB2 H 2.059 0.020 2 689 83 83 PRO HB3 H 2.241 0.020 2 690 83 83 PRO HG2 H 1.870 0.020 2 691 83 83 PRO HG3 H 1.960 0.020 2 692 83 83 PRO HD2 H 4.009 0.020 2 693 83 83 PRO HD3 H 4.009 0.020 2 694 83 83 PRO C C 175.007 0.400 1 695 83 83 PRO CA C 62.608 0.400 1 696 83 83 PRO CB C 29.325 0.400 1 697 83 83 PRO CG C 24.413 0.400 1 698 83 83 PRO CD C 47.582 0.400 1 699 84 84 TYR H H 8.139 0.020 1 700 84 84 TYR HA H 4.324 0.020 1 701 84 84 TYR HB2 H 3.188 0.020 2 702 84 84 TYR HB3 H 3.188 0.020 2 703 84 84 TYR HD1 H 7.234 0.020 1 704 84 84 TYR HD2 H 7.234 0.020 1 705 84 84 TYR C C 175.111 0.400 1 706 84 84 TYR CA C 58.383 0.400 1 707 84 84 TYR CB C 35.123 0.400 1 708 84 84 TYR N N 116.357 0.400 1 709 85 85 GLU H H 7.824 0.020 1 710 85 85 GLU HA H 4.192 0.020 1 711 85 85 GLU HB2 H 2.097 0.020 2 712 85 85 GLU HB3 H 2.021 0.020 2 713 85 85 GLU HG2 H 2.302 0.020 2 714 85 85 GLU HG3 H 2.302 0.020 2 715 85 85 GLU C C 175.659 0.400 1 716 85 85 GLU CA C 55.778 0.400 1 717 85 85 GLU CB C 26.119 0.400 1 718 85 85 GLU CG C 32.524 0.400 1 719 85 85 GLU N N 118.023 0.400 1 720 86 86 TYR H H 7.668 0.020 1 721 86 86 TYR HA H 4.376 0.020 1 722 86 86 TYR HB2 H 2.929 0.020 2 723 86 86 TYR HB3 H 2.993 0.020 2 724 86 86 TYR C C 174.757 0.400 1 725 86 86 TYR CA C 58.330 0.400 1 726 86 86 TYR CB C 36.029 0.400 1 727 86 86 TYR N N 117.482 0.400 1 728 87 87 PHE H H 8.203 0.020 1 729 87 87 PHE HA H 4.495 0.020 1 730 87 87 PHE HB2 H 3.339 0.020 2 731 87 87 PHE HB3 H 3.220 0.020 2 732 87 87 PHE C C 174.230 0.400 1 733 87 87 PHE CA C 57.454 0.400 1 734 87 87 PHE CB C 36.252 0.400 1 735 87 87 PHE N N 118.265 0.400 1 736 88 88 GLN H H 8.092 0.020 1 737 88 88 GLN HA H 4.182 0.020 1 738 88 88 GLN HE21 H 6.863 0.020 2 739 88 88 GLN HE22 H 7.288 0.020 2 740 88 88 GLN N N 117.788 0.400 1 741 88 88 GLN NE2 N 111.729 0.400 1 742 89 89 GLN H H 8.070 0.020 1 743 89 89 GLN HA H 4.379 0.020 1 744 89 89 GLN HB2 H 2.249 0.020 2 745 89 89 GLN HB3 H 2.170 0.020 2 746 89 89 GLN HG2 H 2.546 0.020 2 747 89 89 GLN HG3 H 1.339 0.020 2 748 89 89 GLN HE21 H 7.401 0.020 2 749 89 89 GLN HE22 H 6.759 0.020 2 750 89 89 GLN N N 117.781 0.400 1 751 89 89 GLN NE2 N 110.821 0.400 1 752 90 90 GLY H H 8.397 0.020 1 753 90 90 GLY HA2 H 3.868 0.020 2 754 90 90 GLY HA3 H 3.868 0.020 2 755 90 90 GLY C C 171.803 0.400 1 756 90 90 GLY CA C 44.292 0.400 1 757 90 90 GLY N N 107.546 0.400 1 758 91 91 TRP H H 8.393 0.020 1 759 91 91 TRP HA H 4.599 0.020 1 760 91 91 TRP HB2 H 3.395 0.020 2 761 91 91 TRP HB3 H 3.231 0.020 2 762 91 91 TRP HD1 H 7.285 0.020 1 763 91 91 TRP HE1 H 10.047 0.020 1 764 91 91 TRP HZ2 H 7.502 0.020 1 765 91 91 TRP C C 174.305 0.400 1 766 91 91 TRP CA C 56.474 0.400 1 767 91 91 TRP CB C 26.931 0.400 1 768 91 91 TRP N N 121.803 0.400 1 769 91 91 TRP NE1 N 128.377 0.400 1 770 92 92 ASN H H 8.311 0.020 1 771 92 92 ASN HA H 4.657 0.020 1 772 92 92 ASN HB2 H 3.037 0.020 2 773 92 92 ASN HB3 H 3.037 0.020 2 774 92 92 ASN HD21 H 7.694 0.020 2 775 92 92 ASN HD22 H 7.036 0.020 2 776 92 92 ASN C C 175.014 0.400 1 777 92 92 ASN CA C 52.711 0.400 1 778 92 92 ASN CB C 35.865 0.400 1 779 92 92 ASN N N 117.937 0.400 1 780 92 92 ASN ND2 N 112.137 0.400 1 781 93 93 ILE H H 8.072 0.020 1 782 93 93 ILE HA H 3.976 0.020 1 783 93 93 ILE HB H 2.010 0.020 1 784 93 93 ILE HG12 H 1.474 0.020 2 785 93 93 ILE HG13 H 1.249 0.020 2 786 93 93 ILE HG2 H 0.966 0.020 1 787 93 93 ILE HD1 H 0.883 0.020 1 788 93 93 ILE C C 174.606 0.400 1 789 93 93 ILE CA C 61.448 0.400 1 790 93 93 ILE CB C 35.877 0.400 1 791 93 93 ILE CG1 C 26.004 0.400 1 792 93 93 ILE CG2 C 15.067 0.400 1 793 93 93 ILE CD1 C 10.662 0.400 1 794 93 93 ILE N N 120.498 0.400 1 795 94 94 PHE H H 8.246 0.020 1 796 94 94 PHE HA H 4.284 0.020 1 797 94 94 PHE HB2 H 3.285 0.020 2 798 94 94 PHE HB3 H 3.177 0.020 2 799 94 94 PHE C C 174.198 0.400 1 800 94 94 PHE CA C 58.742 0.400 1 801 94 94 PHE CB C 36.373 0.400 1 802 94 94 PHE N N 120.778 0.400 1 803 95 95 ASP H H 8.531 0.020 1 804 95 95 ASP HA H 4.354 0.020 1 805 95 95 ASP HB2 H 2.648 0.020 2 806 95 95 ASP HB3 H 2.713 0.020 2 807 95 95 ASP C C 175.090 0.400 1 808 95 95 ASP CA C 54.283 0.400 1 809 95 95 ASP CB C 37.186 0.400 1 810 95 95 ASP N N 117.724 0.400 1 811 96 96 SER H H 7.863 0.020 1 812 96 96 SER HA H 4.387 0.020 1 813 96 96 SER HB2 H 4.165 0.020 2 814 96 96 SER HB3 H 4.041 0.020 2 815 96 96 SER C C 173.951 0.400 1 816 96 96 SER CA C 59.077 0.400 1 817 96 96 SER CB C 60.822 0.400 1 818 96 96 SER N N 113.495 0.400 1 819 97 97 ILE H H 8.071 0.020 1 820 97 97 ILE HA H 3.922 0.020 1 821 97 97 ILE HB H 2.129 0.020 1 822 97 97 ILE HG12 H 1.848 0.020 2 823 97 97 ILE HG13 H 1.848 0.020 2 824 97 97 ILE HG2 H 1.323 0.020 1 825 97 97 ILE HD1 H 0.952 0.020 1 826 97 97 ILE C C 174.499 0.400 1 827 97 97 ILE CA C 61.989 0.400 1 828 97 97 ILE CB C 35.322 0.400 1 829 97 97 ILE CG2 C 19.222 0.400 1 830 97 97 ILE CD1 C 11.016 0.400 1 831 97 97 ILE N N 122.778 0.400 1 832 98 98 ILE H H 8.016 0.020 1 833 98 98 ILE HA H 3.808 0.020 1 834 98 98 ILE HB H 2.044 0.020 1 835 98 98 ILE HG12 H 1.506 0.020 2 836 98 98 ILE HG13 H 1.242 0.020 2 837 98 98 ILE HG2 H 0.965 0.020 1 838 98 98 ILE HD1 H 0.826 0.020 1 839 98 98 ILE C C 175.820 0.400 1 840 98 98 ILE CA C 61.732 0.400 1 841 98 98 ILE CB C 34.272 0.400 1 842 98 98 ILE CG1 C 25.644 0.400 1 843 98 98 ILE CG2 C 15.199 0.400 1 844 98 98 ILE CD1 C 9.546 0.400 1 845 98 98 ILE N N 119.803 0.400 1 846 99 99 VAL H H 7.998 0.020 1 847 99 99 VAL HA H 3.922 0.020 1 848 99 99 VAL HB H 2.282 0.020 1 849 99 99 VAL HG1 H 1.160 0.020 2 850 99 99 VAL HG2 H 1.067 0.020 2 851 99 99 VAL C C 175.774 0.400 1 852 99 99 VAL CA C 63.304 0.400 1 853 99 99 VAL CB C 29.123 0.400 1 854 99 99 VAL CG1 C 19.910 0.400 2 855 99 99 VAL CG2 C 19.157 0.400 2 856 99 99 VAL N N 119.274 0.400 1 857 100 100 THR H H 7.895 0.020 1 858 100 100 THR HA H 4.087 0.020 1 859 100 100 THR HB H 4.396 0.020 1 860 100 100 THR HG2 H 1.312 0.020 1 861 100 100 THR C C 173.382 0.400 1 862 100 100 THR CA C 63.845 0.400 1 863 100 100 THR CB C 66.285 0.400 1 864 100 100 THR CG2 C 19.334 0.400 1 865 100 100 THR N N 116.443 0.400 1 866 101 101 LEU H H 8.357 0.020 1 867 101 101 LEU HA H 4.214 0.020 1 868 101 101 LEU HB2 H 1.956 0.020 2 869 101 101 LEU HB3 H 1.956 0.020 2 870 101 101 LEU HG H 1.708 0.020 1 871 101 101 LEU HD1 H 1.030 0.020 2 872 101 101 LEU HD2 H 0.987 0.020 2 873 101 101 LEU C C 175.423 0.400 1 874 101 101 LEU CA C 54.722 0.400 1 875 101 101 LEU CB C 39.089 0.400 1 876 101 101 LEU CG C 26.554 0.400 1 877 101 101 LEU CD1 C 21.354 0.400 2 878 101 101 LEU CD2 C 22.757 0.400 2 879 101 101 LEU N N 120.678 0.400 1 880 102 102 SER H H 8.146 0.020 1 881 102 102 SER HA H 4.408 0.020 1 882 102 102 SER HB2 H 4.139 0.020 2 883 102 102 SER HB3 H 4.187 0.020 2 884 102 102 SER C C 173.403 0.400 1 885 102 102 SER CA C 58.536 0.400 1 886 102 102 SER CB C 60.462 0.400 1 887 102 102 SER N N 114.585 0.400 1 888 103 103 LEU H H 7.960 0.020 1 889 103 103 LEU HA H 4.311 0.020 1 890 103 103 LEU HB2 H 1.711 0.020 2 891 103 103 LEU HB3 H 1.925 0.020 2 892 103 103 LEU HG H 1.532 0.020 1 893 103 103 LEU HD1 H 0.989 0.020 2 894 103 103 LEU HD2 H 1.039 0.020 2 895 103 103 LEU C C 176.346 0.400 1 896 103 103 LEU CA C 54.850 0.400 1 897 103 103 LEU CB C 39.437 0.400 1 898 103 103 LEU CD1 C 22.906 0.400 2 899 103 103 LEU CD2 C 22.578 0.400 2 900 103 103 LEU N N 121.717 0.400 1 901 104 104 VAL H H 8.033 0.020 1 902 104 104 VAL HA H 3.853 0.020 1 903 104 104 VAL HB H 2.368 0.020 1 904 104 104 VAL HG1 H 1.153 0.020 2 905 104 104 VAL HG2 H 1.047 0.020 2 906 104 104 VAL C C 174.768 0.400 1 907 104 104 VAL CA C 63.098 0.400 1 908 104 104 VAL CB C 29.235 0.400 1 909 104 104 VAL CG1 C 19.773 0.400 2 910 104 104 VAL CG2 C 18.975 0.400 2 911 104 104 VAL N N 118.407 0.400 1 912 105 105 GLU H H 8.286 0.020 1 913 105 105 GLU HA H 4.124 0.020 1 914 105 105 GLU HB2 H 2.269 0.020 2 915 105 105 GLU HB3 H 2.269 0.020 2 916 105 105 GLU HG2 H 2.582 0.020 2 917 105 105 GLU HG3 H 2.442 0.020 2 918 105 105 GLU C C 175.272 0.400 1 919 105 105 GLU CA C 56.371 0.400 1 920 105 105 GLU CB C 26.060 0.400 1 921 105 105 GLU CG C 32.101 0.400 1 922 105 105 GLU N N 119.340 0.400 1 923 106 106 LEU H H 7.966 0.020 1 924 106 106 LEU HA H 4.313 0.020 1 925 106 106 LEU HB2 H 1.946 0.020 2 926 106 106 LEU HB3 H 1.808 0.020 2 927 106 106 LEU HG H 1.696 0.020 1 928 106 106 LEU HD1 H 1.002 0.020 2 929 106 106 LEU HD2 H 1.039 0.020 2 930 106 106 LEU C C 176.292 0.400 1 931 106 106 LEU CA C 54.464 0.400 1 932 106 106 LEU CB C 39.691 0.400 1 933 106 106 LEU CG C 24.610 0.400 1 934 106 106 LEU CD1 C 22.861 0.400 2 935 106 106 LEU CD2 C 22.645 0.400 2 936 106 106 LEU N N 119.635 0.400 1 937 107 107 GLY H H 8.285 0.020 1 938 107 107 GLY HA2 H 4.041 0.020 2 939 107 107 GLY HA3 H 3.879 0.020 2 940 107 107 GLY C C 172.662 0.400 1 941 107 107 GLY CA C 44.335 0.400 1 942 107 107 GLY N N 106.739 0.400 1 943 108 108 LEU H H 8.257 0.020 1 944 108 108 LEU HA H 4.297 0.020 1 945 108 108 LEU HB2 H 1.908 0.020 2 946 108 108 LEU HB3 H 1.908 0.020 2 947 108 108 LEU HG H 1.695 0.020 1 948 108 108 LEU HD1 H 0.961 0.020 2 949 108 108 LEU HD2 H 1.001 0.020 2 950 108 108 LEU C C 175.261 0.400 1 951 108 108 LEU CA C 54.026 0.400 1 952 108 108 LEU CB C 39.437 0.400 1 953 108 108 LEU CG C 24.566 0.400 1 954 108 108 LEU CD1 C 22.864 0.400 2 955 108 108 LEU CD2 C 22.662 0.400 2 956 108 108 LEU N N 120.336 0.400 1 957 109 109 ALA H H 7.978 0.020 1 958 109 109 ALA HA H 4.323 0.020 1 959 109 109 ALA HB H 1.581 0.020 1 960 109 109 ALA C C 175.766 0.400 1 961 109 109 ALA CA C 51.176 0.400 1 962 109 109 ALA CB C 16.118 0.400 1 963 109 109 ALA N N 119.945 0.400 1 964 110 110 ASN H H 7.990 0.020 1 965 110 110 ASN HA H 4.882 0.020 1 966 110 110 ASN HB2 H 2.885 0.020 2 967 110 110 ASN HB3 H 3.034 0.020 2 968 110 110 ASN HD21 H 7.677 0.020 2 969 110 110 ASN HD22 H 7.051 0.020 2 970 110 110 ASN C C 173.070 0.400 1 971 110 110 ASN CA C 51.344 0.400 1 972 110 110 ASN CB C 37.124 0.400 1 973 110 110 ASN N N 114.656 0.400 1 974 110 110 ASN ND2 N 112.810 0.400 1 975 111 111 VAL H H 7.847 0.020 1 976 111 111 VAL HA H 4.204 0.020 1 977 111 111 VAL HB H 2.377 0.020 1 978 111 111 VAL HG1 H 1.141 0.020 2 979 111 111 VAL HG2 H 1.092 0.020 2 980 111 111 VAL C C 173.532 0.400 1 981 111 111 VAL CA C 60.675 0.400 1 982 111 111 VAL CB C 29.437 0.400 1 983 111 111 VAL CG1 C 18.879 0.400 2 984 111 111 VAL CG2 C 19.090 0.400 2 985 111 111 VAL N N 118.500 0.400 1 986 112 112 GLN H H 8.413 0.020 1 987 112 112 GLN HA H 4.325 0.020 1 988 112 112 GLN HB2 H 2.223 0.020 2 989 112 112 GLN HB3 H 2.256 0.020 2 990 112 112 GLN HG2 H 2.537 0.020 2 991 112 112 GLN HG3 H 2.537 0.020 2 992 112 112 GLN HE21 H 7.540 0.020 2 993 112 112 GLN HE22 H 6.878 0.020 2 994 112 112 GLN C C 174.499 0.400 1 995 112 112 GLN CA C 54.903 0.400 1 996 112 112 GLN N N 122.365 0.400 1 997 112 112 GLN NE2 N 111.568 0.400 1 998 113 113 GLY H H 8.458 0.020 1 999 113 113 GLY HA2 H 4.055 0.020 2 1000 113 113 GLY HA3 H 4.055 0.020 2 1001 113 113 GLY C C 172.039 0.400 1 1002 113 113 GLY CA C 43.511 0.400 1 1003 113 113 GLY N N 107.529 0.400 1 1004 114 114 LEU H H 7.985 0.020 1 1005 114 114 LEU HA H 4.358 0.020 1 1006 114 114 LEU HB2 H 1.930 0.020 2 1007 114 114 LEU HB3 H 1.886 0.020 2 1008 114 114 LEU HG H 1.765 0.020 1 1009 114 114 LEU HD1 H 0.998 0.020 2 1010 114 114 LEU HD2 H 1.064 0.020 2 1011 114 114 LEU C C 175.487 0.400 1 1012 114 114 LEU CA C 53.536 0.400 1 1013 114 114 LEU CB C 39.129 0.400 1 1014 114 114 LEU CG C 26.712 0.400 1 1015 114 114 LEU CD1 C 21.408 0.400 2 1016 114 114 LEU CD2 C 22.813 0.400 2 1017 114 114 LEU N N 119.567 0.400 1 1018 115 115 SER H H 8.341 0.020 1 1019 115 115 SER HA H 4.274 0.020 1 1020 115 115 SER HB2 H 4.105 0.020 2 1021 115 115 SER HB3 H 4.105 0.020 2 1022 115 115 SER C C 174.187 0.400 1 1023 115 115 SER CA C 58.474 0.400 1 1024 115 115 SER CB C 60.210 0.400 1 1025 115 115 SER N N 116.037 0.400 1 1026 116 116 VAL H H 7.904 0.020 1 1027 116 116 VAL HA H 4.088 0.020 1 1028 116 116 VAL HB H 2.342 0.020 1 1029 116 116 VAL HG1 H 1.146 0.020 2 1030 116 116 VAL HG2 H 1.077 0.020 2 1031 116 116 VAL C C 174.175 0.400 1 1032 116 116 VAL CA C 61.861 0.400 1 1033 116 116 VAL CB C 28.999 0.400 1 1034 116 116 VAL CG1 C 18.985 0.400 2 1035 116 116 VAL CG2 C 18.739 0.400 2 1036 116 116 VAL N N 120.037 0.400 1 1037 117 117 LEU H H 7.772 0.020 1 1038 117 117 LEU HA H 4.214 0.020 1 1039 117 117 LEU HB2 H 1.958 0.020 2 1040 117 117 LEU HB3 H 1.879 0.020 2 1041 117 117 LEU HG H 1.759 0.020 1 1042 117 117 LEU HD1 H 0.967 0.020 2 1043 117 117 LEU HD2 H 1.068 0.020 2 1044 117 117 LEU C C 175.132 0.400 1 1045 117 117 LEU CA C 54.155 0.400 1 1046 117 117 LEU CB C 39.003 0.400 1 1047 117 117 LEU CG C 26.606 0.400 1 1048 117 117 LEU CD1 C 22.673 0.400 2 1049 117 117 LEU CD2 C 23.094 0.400 2 1050 117 117 LEU N N 118.998 0.400 1 1051 118 118 ARG H H 7.813 0.020 1 1052 118 118 ARG HA H 4.288 0.020 1 1053 118 118 ARG HB2 H 2.092 0.020 2 1054 118 118 ARG HB3 H 2.092 0.020 2 1055 118 118 ARG HG2 H 2.000 0.020 2 1056 118 118 ARG HG3 H 2.000 0.020 2 1057 118 118 ARG HD2 H 3.347 0.020 2 1058 118 118 ARG HD3 H 3.347 0.020 2 1059 118 118 ARG C C 174.692 0.400 1 1060 118 118 ARG CA C 55.211 0.400 1 1061 118 118 ARG CB C 27.619 0.400 1 1062 118 118 ARG CD C 41.006 0.400 1 1063 118 118 ARG N N 115.880 0.400 1 1064 119 119 SER H H 7.901 0.020 1 1065 119 119 SER HA H 4.500 0.020 1 1066 119 119 SER HB2 H 4.043 0.020 2 1067 119 119 SER HB3 H 4.004 0.020 2 1068 119 119 SER C C 172.061 0.400 1 1069 119 119 SER CA C 57.067 0.400 1 1070 119 119 SER CB C 61.135 0.400 1 1071 119 119 SER N N 113.880 0.400 1 1072 120 120 PHE H H 7.958 0.020 1 1073 120 120 PHE HA H 4.635 0.020 1 1074 120 120 PHE HB2 H 3.307 0.020 2 1075 120 120 PHE HB3 H 3.307 0.020 2 1076 120 120 PHE C C 173.618 0.400 1 1077 120 120 PHE CA C 55.933 0.400 1 1078 120 120 PHE CB C 36.252 0.400 1 1079 120 120 PHE N N 121.553 0.400 1 1080 121 121 ARG H H 8.171 0.020 1 1081 121 121 ARG HA H 4.300 0.020 1 1082 121 121 ARG HB2 H 1.978 0.020 2 1083 121 121 ARG HB3 H 1.978 0.020 2 1084 121 121 ARG HG2 H 1.782 0.020 2 1085 121 121 ARG HG3 H 1.782 0.020 2 1086 121 121 ARG HD2 H 3.348 0.020 2 1087 121 121 ARG HD3 H 3.348 0.020 2 1088 121 121 ARG C C 174.680 0.400 1 1089 121 121 ARG CA C 54.799 0.400 1 1090 121 121 ARG CB C 27.186 0.400 1 1091 121 121 ARG CG C 24.745 0.400 1 1092 121 121 ARG CD C 41.076 0.400 1 1093 121 121 ARG N N 120.906 0.400 1 1094 122 122 LEU H H 7.967 0.020 1 1095 122 122 LEU C C 175.082 0.400 1 1096 122 122 LEU CA C 54.464 0.400 1 1097 122 122 LEU N N 119.602 0.400 1 1098 123 123 LEU H H 8.037 0.020 1 1099 123 123 LEU HA H 4.244 0.020 1 1100 123 123 LEU HB2 H 1.938 0.020 2 1101 123 123 LEU HB3 H 1.938 0.020 2 1102 123 123 LEU HG H 1.799 0.020 1 1103 123 123 LEU HD1 H 1.029 0.020 2 1104 123 123 LEU HD2 H 1.029 0.020 2 1105 123 123 LEU C C 175.841 0.400 1 1106 123 123 LEU CA C 54.644 0.400 1 1107 123 123 LEU CB C 39.361 0.400 1 1108 123 123 LEU CG C 26.716 0.400 1 1109 123 123 LEU CD1 C 22.723 0.400 2 1110 123 123 LEU N N 116.677 0.400 1 1111 124 124 ARG H H 7.908 0.020 1 1112 124 124 ARG HA H 4.244 0.020 1 1113 124 124 ARG HB2 H 2.046 0.020 2 1114 124 124 ARG HB3 H 2.046 0.020 2 1115 124 124 ARG HG2 H 1.825 0.020 2 1116 124 124 ARG HG3 H 1.825 0.020 2 1117 124 124 ARG HD2 H 3.347 0.020 2 1118 124 124 ARG HD3 H 3.347 0.020 2 1119 124 124 ARG C C 175.433 0.400 1 1120 124 124 ARG CA C 55.856 0.400 1 1121 124 124 ARG CB C 27.373 0.400 1 1122 124 124 ARG CG C 24.895 0.400 1 1123 124 124 ARG CD C 41.007 0.400 1 1124 124 124 ARG N N 117.717 0.400 1 1125 125 125 VAL H H 7.713 0.020 1 1126 125 125 VAL HA H 3.912 0.020 1 1127 125 125 VAL HB H 2.261 0.020 1 1128 125 125 VAL HG1 H 0.939 0.020 2 1129 125 125 VAL C C 173.854 0.400 1 1130 125 125 VAL CA C 62.402 0.400 1 1131 125 125 VAL CB C 28.936 0.400 1 1132 125 125 VAL CG1 C 18.765 0.400 2 1133 125 125 VAL N N 116.613 0.400 1 1134 126 126 PHE H H 7.810 0.020 1 1135 126 126 PHE HA H 4.434 0.020 1 1136 126 126 PHE HB2 H 3.360 0.020 2 1137 126 126 PHE HB3 H 3.231 0.020 2 1138 126 126 PHE C C 173.854 0.400 1 1139 126 126 PHE CA C 57.402 0.400 1 1140 126 126 PHE CB C 36.278 0.400 1 1141 126 126 PHE N N 118.510 0.400 1 1142 127 127 LYS H H 7.911 0.020 1 1143 127 127 LYS HA H 4.247 0.020 1 1144 127 127 LYS HB2 H 2.035 0.020 2 1145 127 127 LYS HB3 H 2.035 0.020 2 1146 127 127 LYS HG2 H 1.683 0.020 2 1147 127 127 LYS HG3 H 1.683 0.020 2 1148 127 127 LYS C C 175.675 0.400 1 1149 127 127 LYS CA C 55.804 0.400 1 1150 127 127 LYS CB C 29.692 0.400 1 1151 127 127 LYS CG C 22.688 0.400 1 1152 127 127 LYS N N 118.114 0.400 1 1153 128 128 LEU H H 7.883 0.020 1 1154 128 128 LEU HA H 4.159 0.020 1 1155 128 128 LEU HB2 H 1.912 0.020 2 1156 128 128 LEU HB3 H 1.890 0.020 2 1157 128 128 LEU HG H 1.678 0.020 1 1158 128 128 LEU HD1 H 1.030 0.020 2 1159 128 128 LEU HD2 H 1.030 0.020 2 1160 128 128 LEU C C 175.651 0.400 1 1161 128 128 LEU CA C 54.283 0.400 1 1162 128 128 LEU CB C 39.571 0.400 1 1163 128 128 LEU CG C 24.742 0.400 1 1164 128 128 LEU CD1 C 22.571 0.400 2 1165 128 128 LEU N N 119.795 0.400 1 1166 129 129 ALA H H 8.026 0.020 1 1167 129 129 ALA HA H 4.009 0.020 1 1168 129 129 ALA HB H 1.479 0.020 1 1169 129 129 ALA C C 175.197 0.400 1 1170 129 129 ALA CA C 51.629 0.400 1 1171 129 129 ALA CB C 15.993 0.400 1 1172 129 129 ALA N N 120.557 0.400 1 1173 130 130 LYS H H 7.738 0.020 1 1174 130 130 LYS HA H 4.236 0.020 1 1175 130 130 LYS C C 174.166 0.400 1 1176 130 130 LYS CA C 54.954 0.400 1 1177 130 130 LYS CB C 29.808 0.400 1 1178 130 130 LYS N N 114.250 0.400 1 1179 131 131 SER H H 7.808 0.020 1 1180 131 131 SER HA H 4.614 0.020 1 1181 131 131 SER HB2 H 4.052 0.020 2 1182 131 131 SER HB3 H 4.052 0.020 2 1183 131 131 SER C C 171.395 0.400 1 1184 131 131 SER CA C 56.036 0.400 1 1185 131 131 SER CB C 61.514 0.400 1 1186 131 131 SER N N 113.199 0.400 1 1187 132 132 TRP H H 8.073 0.020 1 1188 132 132 TRP HA H 5.186 0.020 1 1189 132 132 TRP HB2 H 3.631 0.020 2 1190 132 132 TRP HB3 H 3.415 0.020 2 1191 132 132 TRP HD1 H 7.480 0.020 1 1192 132 132 TRP HE1 H 10.283 0.020 1 1193 132 132 TRP CA C 53.098 0.400 1 1194 132 132 TRP N N 124.429 0.400 1 1195 132 132 TRP NE1 N 128.998 0.400 1 1196 133 133 PRO HA H 4.492 0.020 1 1197 133 133 PRO HB2 H 2.460 0.020 2 1198 133 133 PRO HB3 H 2.460 0.020 2 1199 133 133 PRO HG2 H 2.118 0.020 2 1200 133 133 PRO HG3 H 2.248 0.020 2 1201 133 133 PRO HD2 H 4.330 0.020 2 1202 133 133 PRO HD3 H 3.957 0.020 2 1203 133 133 PRO C C 175.448 0.400 1 1204 133 133 PRO CA C 62.798 0.400 1 1205 133 133 PRO CB C 29.012 0.400 1 1206 133 133 PRO CG C 25.349 0.400 1 1207 133 133 PRO CD C 48.331 0.400 1 1208 134 134 THR H H 7.392 0.020 1 1209 134 134 THR HA H 4.042 0.020 1 1210 134 134 THR HB H 3.473 0.020 1 1211 134 134 THR HG2 H 1.217 0.020 1 1212 134 134 THR C C 172.813 0.400 1 1213 134 134 THR CA C 62.632 0.400 1 1214 134 134 THR CB C 66.189 0.400 1 1215 134 134 THR CG2 C 19.685 0.400 1 1216 134 134 THR N N 112.444 0.400 1 1217 135 135 LEU H H 7.547 0.020 1 1218 135 135 LEU HA H 4.093 0.020 1 1219 135 135 LEU HD1 H 1.070 0.020 2 1220 135 135 LEU HD2 H 1.099 0.020 2 1221 135 135 LEU C C 175.508 0.400 1 1222 135 135 LEU CA C 55.345 0.400 1 1223 135 135 LEU CB C 38.937 0.400 1 1224 135 135 LEU CD1 C 22.291 0.400 2 1225 135 135 LEU CD2 C 21.960 0.400 2 1226 135 135 LEU N N 120.718 0.400 1 1227 136 136 ASN H H 8.151 0.020 1 1228 136 136 ASN HA H 4.387 0.020 1 1229 136 136 ASN HB2 H 2.794 0.020 2 1230 136 136 ASN HB3 H 2.794 0.020 2 1231 136 136 ASN HD21 H 7.485 0.020 2 1232 136 136 ASN HD22 H 6.915 0.020 2 1233 136 136 ASN C C 174.778 0.400 1 1234 136 136 ASN CA C 54.180 0.400 1 1235 136 136 ASN CB C 36.248 0.400 1 1236 136 136 ASN N N 116.300 0.400 1 1237 136 136 ASN ND2 N 111.473 0.400 1 1238 137 137 MET H H 7.935 0.020 1 1239 137 137 MET HA H 4.255 0.020 1 1240 137 137 MET HB2 H 2.305 0.020 2 1241 137 137 MET HB3 H 2.305 0.020 2 1242 137 137 MET HG2 H 2.657 0.020 2 1243 137 137 MET HG3 H 2.657 0.020 2 1244 137 137 MET C C 175.272 0.400 1 1245 137 137 MET CA C 55.830 0.400 1 1246 137 137 MET CB C 29.558 0.400 1 1247 137 137 MET CG C 29.553 0.400 1 1248 137 137 MET N N 118.229 0.400 1 1249 138 138 LEU H H 7.874 0.020 1 1250 138 138 LEU HA H 4.148 0.020 1 1251 138 138 LEU HB2 H 1.961 0.020 2 1252 138 138 LEU HB3 H 1.961 0.020 2 1253 138 138 LEU HG H 1.779 0.020 1 1254 138 138 LEU HD1 H 0.985 0.020 2 1255 138 138 LEU HD2 H 1.066 0.020 2 1256 138 138 LEU C C 175.798 0.400 1 1257 138 138 LEU CA C 55.546 0.400 1 1258 138 138 LEU CB C 39.250 0.400 1 1259 138 138 LEU CG C 26.716 0.400 1 1260 138 138 LEU CD1 C 21.462 0.400 2 1261 138 138 LEU CD2 C 22.548 0.400 2 1262 138 138 LEU N N 119.197 0.400 1 1263 139 139 ILE H H 8.234 0.020 1 1264 139 139 ILE HA H 3.720 0.020 1 1265 139 139 ILE HB H 2.123 0.020 1 1266 139 139 ILE HG12 H 1.842 0.020 2 1267 139 139 ILE HG13 H 1.842 0.020 2 1268 139 139 ILE HG2 H 1.039 0.020 1 1269 139 139 ILE HD1 H 0.985 0.020 1 1270 139 139 ILE C C 175.605 0.400 1 1271 139 139 ILE CA C 62.556 0.400 1 1272 139 139 ILE CB C 35.002 0.400 1 1273 139 139 ILE CG1 C 24.895 0.400 1 1274 139 139 ILE CG2 C 15.088 0.400 1 1275 139 139 ILE CD1 C 10.434 0.400 1 1276 139 139 ILE N N 117.809 0.400 1 1277 140 140 LYS H H 7.824 0.020 1 1278 140 140 LYS HA H 4.149 0.020 1 1279 140 140 LYS HB2 H 2.097 0.020 2 1280 140 140 LYS HB3 H 2.097 0.020 2 1281 140 140 LYS HG2 H 1.572 0.020 2 1282 140 140 LYS HG3 H 1.572 0.020 2 1283 140 140 LYS HD2 H 1.709 0.020 2 1284 140 140 LYS HD3 H 1.709 0.020 2 1285 140 140 LYS C C 176.496 0.400 1 1286 140 140 LYS CA C 56.912 0.400 1 1287 140 140 LYS CB C 29.437 0.400 1 1288 140 140 LYS N N 120.044 0.400 1 1289 141 141 ILE H H 8.083 0.020 1 1290 141 141 ILE HA H 3.976 0.020 1 1291 141 141 ILE HB H 2.118 0.020 1 1292 141 141 ILE HG12 H 1.924 0.020 2 1293 141 141 ILE HG13 H 1.924 0.020 2 1294 141 141 ILE HG2 H 1.040 0.020 1 1295 141 141 ILE HD1 H 0.968 0.020 1 1296 141 141 ILE C C 176.121 0.400 1 1297 141 141 ILE CA C 62.247 0.400 1 1298 141 141 ILE CB C 35.564 0.400 1 1299 141 141 ILE CG1 C 24.534 0.400 1 1300 141 141 ILE CD1 C 11.06 0.400 1 1301 141 141 ILE N N 118.820 0.400 1 1302 142 142 ILE H H 8.291 0.020 1 1303 142 142 ILE HA H 3.873 0.020 1 1304 142 142 ILE HB H 2.075 0.020 1 1305 142 142 ILE HG12 H 1.881 0.020 2 1306 142 142 ILE HG13 H 1.881 0.020 2 1307 142 142 ILE HG2 H 0.953 0.020 1 1308 142 142 ILE HD1 H 1.025 0.020 1 1309 142 142 ILE C C 175.852 0.400 1 1310 142 142 ILE CA C 62.170 0.400 1 1311 142 142 ILE CB C 35.189 0.400 1 1312 142 142 ILE CG1 C 24.604 0.400 1 1313 142 142 ILE CG2 C 20.741 0.400 1 1314 142 142 ILE CD1 C 15.25 0.400 1 1315 142 142 ILE N N 119.382 0.400 1 1316 143 143 GLY H H 8.543 0.020 1 1317 143 143 GLY HA2 H 4.052 0.020 2 1318 143 143 GLY HA3 H 4.052 0.020 2 1319 143 143 GLY C C 172.394 0.400 1 1320 143 143 GLY CA C 44.155 0.400 1 1321 143 143 GLY N N 107.283 0.400 1 1322 144 144 ASN H H 8.071 0.020 1 1323 144 144 ASN HA H 4.884 0.020 1 1324 144 144 ASN HB2 H 2.993 0.020 2 1325 144 144 ASN HB3 H 2.993 0.020 2 1326 144 144 ASN HD21 H 7.769 0.020 2 1327 144 144 ASN HD22 H 7.000 0.020 2 1328 144 144 ASN C C 173.962 0.400 1 1329 144 144 ASN CA C 51.500 0.400 1 1330 144 144 ASN CB C 36.565 0.400 1 1331 144 144 ASN N N 118.443 0.400 1 1332 144 144 ASN ND2 N 112.469 0.400 1 1333 145 145 SER H H 8.146 0.020 1 1334 145 145 SER HA H 4.452 0.020 1 1335 145 145 SER HB2 H 4.081 0.020 2 1336 145 145 SER HB3 H 4.081 0.020 2 1337 145 145 SER C C 173.006 0.400 1 1338 145 145 SER CA C 58.098 0.400 1 1339 145 145 SER CB C 61.260 0.400 1 1340 145 145 SER N N 115.909 0.400 1 1341 146 146 GLY H H 8.478 0.020 1 1342 146 146 GLY HA2 H 4.052 0.020 2 1343 146 146 GLY HA3 H 4.052 0.020 2 1344 146 146 GLY C C 171.953 0.400 1 1345 146 146 GLY CA C 43.536 0.400 1 1346 146 146 GLY N N 109.260 0.400 1 1347 147 147 SER H H 8.078 0.020 1 1348 147 147 SER HA H 4.441 0.020 1 1349 147 147 SER HB2 H 3.955 0.020 2 1350 147 147 SER HB3 H 3.955 0.020 2 1351 147 147 SER C C 172.329 0.400 1 1352 147 147 SER CA C 56.629 0.400 1 1353 147 147 SER CB C 61.072 0.400 1 1354 147 147 SER N N 114.720 0.400 1 1355 148 148 HIS H H 8.259 0.020 1 1356 148 148 HIS CB C 26.181 0.400 1 1357 148 148 HIS N N 118.777 0.400 1 stop_ save_