data_26993 ####################### # 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 ; _BMRB_accession_number 26993 _BMRB_flat_file_name bmr26993.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.' 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" 648 "13C chemical shifts" 489 "15N chemical shifts" 146 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-01-19 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 26992 Nav1.4 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 NavII $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 ; MGKVLIWNSSAPWLKFKNII HLIVMDPFVDLGITISIVLN TLFMAMEHYPMTEHFDNVLT VGNLVFTGIFTAEMVLKLIA MDPYEYFQQGWNIFDSIIVT LSLVELGLANVQGLSVLRSF RLLRVFKLAKSWPTLNMLIK IIGNSGSHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 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_ #################### # 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 TSP 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 . 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 NavII _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 GLY H H 8.718 0.020 1 2 2 2 GLY C C 170.392 0.400 1 3 2 2 GLY CA C 42.737 0.400 1 4 2 2 GLY N N 111.747 0.400 1 5 3 3 LYS H H 8.273 0.020 1 6 3 3 LYS C C 173.683 0.400 1 7 3 3 LYS CA C 54.129 0.400 1 8 3 3 LYS CB C 30.562 0.400 1 9 3 3 LYS N N 120.151 0.400 1 10 4 4 VAL H H 8.098 0.020 1 11 4 4 VAL C C 172.716 0.400 1 12 4 4 VAL CA C 59.979 0.400 1 13 4 4 VAL CB C 30.126 0.400 1 14 4 4 VAL N N 119.510 0.400 1 15 5 5 LEU H H 8.094 0.020 1 16 5 5 LEU C C 173.854 0.400 1 17 5 5 LEU CA C 52.505 0.400 1 18 5 5 LEU CB C 39.437 0.400 1 19 5 5 LEU N N 123.404 0.400 1 20 6 6 ILE H H 7.632 0.020 1 21 6 6 ILE C C 172.845 0.400 1 22 6 6 ILE CA C 58.974 0.400 1 23 6 6 ILE CB C 36.061 0.400 1 24 6 6 ILE N N 118.307 0.400 1 25 7 7 TRP H H 7.848 0.020 1 26 7 7 TRP HD1 H 7.313 0.020 1 27 7 7 TRP HE1 H 10.108 0.020 1 28 7 7 TRP HZ2 H 7.457 0.020 1 29 7 7 TRP C C 173.027 0.400 1 30 7 7 TRP CA C 54.876 0.400 1 31 7 7 TRP CB C 26.994 0.400 1 32 7 7 TRP N N 121.675 0.400 1 33 7 7 TRP NE1 N 129.163 0.400 1 34 8 8 ASN H H 8.097 0.020 1 35 8 8 ASN C C 172.490 0.400 1 36 8 8 ASN CA C 50.907 0.400 1 37 8 8 ASN CB C 36.311 0.400 1 38 8 8 ASN N N 119.103 0.400 1 39 9 9 SER H H 8.025 0.020 1 40 9 9 SER C C 171.615 0.400 1 41 9 9 SER CA C 55.907 0.400 1 42 9 9 SER CB C 61.417 0.400 1 43 9 9 SER N N 114.515 0.400 1 44 10 10 SER H H 8.284 0.020 1 45 10 10 SER HA H 4.560 0.020 1 46 10 10 SER C C 171.728 0.400 1 47 10 10 SER CA C 56.165 0.400 1 48 10 10 SER CB C 61.417 0.400 1 49 10 10 SER N N 116.542 0.400 1 50 11 11 ALA H H 8.289 0.020 1 51 11 11 ALA C C 173.924 0.400 1 52 11 11 ALA CA C 50.830 0.400 1 53 11 11 ALA N N 124.777 0.400 1 54 13 13 TRP H H 7.233 0.020 1 55 13 13 TRP HA H 4.659 0.020 1 56 13 13 TRP HB2 H 3.436 0.020 2 57 13 13 TRP HB3 H 3.436 0.020 2 58 13 13 TRP C C 174.359 0.400 1 59 13 13 TRP CA C 55.836 0.400 1 60 13 13 TRP CB C 27.124 0.400 1 61 13 13 TRP N N 115.634 0.400 1 62 14 14 LEU H H 7.767 0.020 1 63 14 14 LEU CA C 54.722 0.400 1 64 14 14 LEU CB C 39.000 0.400 1 65 14 14 LEU N N 119.032 0.400 1 66 15 15 LYS H H 7.858 0.020 1 67 15 15 LYS HA H 4.274 0.020 1 68 15 15 LYS HB2 H 1.944 0.020 2 69 15 15 LYS HB3 H 1.944 0.020 2 70 15 15 LYS HG2 H 1.764 0.020 2 71 15 15 LYS HD2 H 1.549 0.020 2 72 15 15 LYS HE2 H 3.046 0.020 2 73 15 15 LYS HE3 H 3.046 0.020 2 74 15 15 LYS C C 175.584 0.400 1 75 15 15 LYS CA C 55.495 0.400 1 76 15 15 LYS CB C 29.622 0.400 1 77 15 15 LYS CG C 26.532 0.400 1 78 15 15 LYS CE C 39.537 0.400 1 79 15 15 LYS N N 118.424 0.400 1 80 16 16 PHE H H 8.153 0.020 1 81 16 16 PHE HA H 4.463 0.020 1 82 16 16 PHE HB2 H 3.370 0.020 2 83 16 16 PHE HB3 H 3.297 0.020 2 84 16 16 PHE C C 174.187 0.400 1 85 16 16 PHE CA C 57.666 0.400 1 86 16 16 PHE CB C 36.440 0.400 1 87 16 16 PHE N N 119.083 0.400 1 88 17 17 LYS H H 8.350 0.020 1 89 17 17 LYS HB2 H 1.830 0.020 2 90 17 17 LYS HG3 H 1.361 0.020 2 91 17 17 LYS HE2 H 2.976 0.020 2 92 17 17 LYS HE3 H 2.976 0.020 2 93 17 17 LYS C C 175.326 0.400 1 94 17 17 LYS CA C 57.479 0.400 1 95 17 17 LYS CB C 29.298 0.400 1 96 17 17 LYS CG C 22.589 0.400 1 97 17 17 LYS CE C 39.384 0.400 1 98 17 17 LYS N N 118.175 0.400 1 99 18 18 ASN H H 7.999 0.020 1 100 18 18 ASN HA H 4.466 0.020 1 101 18 18 ASN HB2 H 3.032 0.020 2 102 18 18 ASN HB3 H 3.032 0.020 2 103 18 18 ASN HD21 H 7.753 0.020 2 104 18 18 ASN HD22 H 6.946 0.020 2 105 18 18 ASN C C 174.832 0.400 1 106 18 18 ASN CA C 53.227 0.400 1 107 18 18 ASN CB C 35.752 0.400 1 108 18 18 ASN N N 116.578 0.400 1 109 18 18 ASN ND2 N 111.533 0.400 1 110 19 19 ILE H H 7.974 0.020 1 111 19 19 ILE HA H 3.985 0.020 1 112 19 19 ILE HB H 2.128 0.020 1 113 19 19 ILE HG12 H 1.399 0.020 2 114 19 19 ILE HG13 H 1.826 0.020 2 115 19 19 ILE HG2 H 1.038 0.020 1 116 19 19 ILE HD1 H 1.010 0.020 1 117 19 19 ILE C C 174.567 0.400 1 118 19 19 ILE CA C 61.706 0.400 1 119 19 19 ILE CB C 35.151 0.400 1 120 19 19 ILE CG1 C 26.342 0.400 1 121 19 19 ILE CG2 C 15.187 0.400 1 122 19 19 ILE CD1 C 10.770 0.400 1 123 19 19 ILE N N 119.682 0.400 1 124 20 20 ILE H H 7.889 0.020 1 125 20 20 ILE HA H 3.796 0.020 1 126 20 20 ILE HB H 1.971 0.020 1 127 20 20 ILE HG12 H 1.201 0.020 2 128 20 20 ILE HG13 H 1.450 0.020 2 129 20 20 ILE HG2 H 0.947 0.020 1 130 20 20 ILE HD1 H 0.827 0.020 1 131 20 20 ILE C C 174.588 0.400 1 132 20 20 ILE CA C 61.397 0.400 1 133 20 20 ILE CB C 34.257 0.400 1 134 20 20 ILE CG1 C 25.690 0.400 1 135 20 20 ILE CG2 C 15.275 0.400 1 136 20 20 ILE CD1 C 9.743 0.400 1 137 20 20 ILE N N 118.211 0.400 1 138 21 21 HIS H H 7.979 0.020 1 139 21 21 HIS HA H 4.475 0.020 1 140 21 21 HIS HB2 H 3.498 0.020 2 141 21 21 HIS HB3 H 3.446 0.020 2 142 21 21 HIS C C 172.963 0.400 1 143 21 21 HIS CA C 55.598 0.400 1 144 21 21 HIS CB C 25.801 0.400 1 145 21 21 HIS N N 116.561 0.400 1 146 22 22 LEU H H 7.786 0.020 1 147 22 22 LEU HA H 4.192 0.020 1 148 22 22 LEU HB2 H 2.010 0.020 2 149 22 22 LEU HB3 H 2.010 0.020 2 150 22 22 LEU C C 175.519 0.400 1 151 22 22 LEU CA C 54.722 0.400 1 152 22 22 LEU CB C 39.812 0.400 1 153 22 22 LEU N N 117.945 0.400 1 154 23 23 ILE H H 7.759 0.020 1 155 23 23 ILE HA H 4.030 0.020 1 156 23 23 ILE HB H 2.094 0.020 1 157 23 23 ILE HG12 H 1.819 0.020 2 158 23 23 ILE HG13 H 1.819 0.020 2 159 23 23 ILE HG2 H 1.017 0.020 1 160 23 23 ILE HD1 H 0.942 0.020 1 161 23 23 ILE C C 173.511 0.400 1 162 23 23 ILE CA C 60.649 0.400 1 163 23 23 ILE CB C 35.728 0.400 1 164 23 23 ILE CG1 C 26.692 0.400 1 165 23 23 ILE N N 116.030 0.400 1 166 24 24 VAL H H 7.797 0.020 1 167 24 24 VAL HA H 4.128 0.020 1 168 24 24 VAL HB H 2.311 0.020 1 169 24 24 VAL HG1 H 1.077 0.020 2 170 24 24 VAL HG2 H 1.077 0.020 2 171 24 24 VAL C C 173.564 0.400 1 172 24 24 VAL CA C 60.907 0.400 1 173 24 24 VAL CB C 29.437 0.400 1 174 24 24 VAL CG1 C 18.738 0.400 2 175 24 24 VAL N N 115.524 0.400 1 176 25 25 MET H H 7.763 0.020 1 177 25 25 MET HA H 4.516 0.020 1 178 25 25 MET HB2 H 2.590 0.020 2 179 25 25 MET HB3 H 2.590 0.020 2 180 25 25 MET C C 173.726 0.400 1 181 25 25 MET CA C 53.742 0.400 1 182 25 25 MET CB C 29.587 0.400 1 183 25 25 MET N N 118.035 0.400 1 184 26 26 ASP H H 8.037 0.020 1 185 26 26 ASP HA H 4.894 0.020 1 186 26 26 ASP HB2 H 3.034 0.020 2 187 26 26 ASP HB3 H 3.034 0.020 2 188 26 26 ASP CA C 51.217 0.400 1 189 26 26 ASP CB C 36.977 0.400 1 190 26 26 ASP N N 118.450 0.400 1 191 27 27 PRO HA H 4.488 0.020 1 192 27 27 PRO HB2 H 2.226 0.020 2 193 27 27 PRO HB3 H 1.647 0.020 2 194 27 27 PRO HG2 H 1.956 0.020 2 195 27 27 PRO HG3 H 1.740 0.020 2 196 27 27 PRO HD2 H 3.850 0.020 2 197 27 27 PRO HD3 H 3.721 0.020 2 198 27 27 PRO C C 174.553 0.400 1 199 27 27 PRO CA C 61.765 0.400 1 200 27 27 PRO CB C 29.022 0.400 1 201 27 27 PRO CG C 24.378 0.400 1 202 27 27 PRO CD C 47.631 0.400 1 203 28 28 PHE H H 7.949 0.020 1 204 28 28 PHE HA H 4.603 0.020 1 205 28 28 PHE HB2 H 3.371 0.020 2 206 28 28 PHE HB3 H 3.231 0.020 2 207 28 28 PHE HD1 H 7.415 0.020 1 208 28 28 PHE HD2 H 7.415 0.020 1 209 28 28 PHE C C 174.016 0.400 1 210 28 28 PHE CA C 56.294 0.400 1 211 28 28 PHE CB C 36.065 0.400 1 212 28 28 PHE N N 116.535 0.400 1 213 29 29 VAL H H 7.659 0.020 1 214 29 29 VAL HA H 4.074 0.020 1 215 29 29 VAL HB H 2.221 0.020 1 216 29 29 VAL HG1 H 1.048 0.020 2 217 29 29 VAL HG2 H 1.090 0.020 2 218 29 29 VAL C C 173.801 0.400 1 219 29 29 VAL CA C 61.191 0.400 1 220 29 29 VAL CB C 29.994 0.400 1 221 29 29 VAL CG1 C 18.572 0.400 2 222 29 29 VAL CG2 C 18.888 0.400 2 223 29 29 VAL N N 118.777 0.400 1 224 30 30 ASP H H 8.274 0.020 1 225 30 30 ASP HA H 4.767 0.020 1 226 30 30 ASP HB2 H 2.934 0.020 2 227 30 30 ASP HB3 H 2.796 0.020 2 228 30 30 ASP C C 174.670 0.400 1 229 30 30 ASP CA C 52.247 0.400 1 230 30 30 ASP CB C 36.352 0.400 1 231 30 30 ASP N N 120.844 0.400 1 232 32 32 GLY H H 8.411 0.020 1 233 32 32 GLY HA2 H 3.875 0.020 2 234 32 32 GLY HA3 H 4.117 0.020 2 235 32 32 GLY C C 173.575 0.400 1 236 32 32 GLY CA C 44.541 0.400 1 237 32 32 GLY N N 106.781 0.400 1 238 37 37 ILE H H 8.032 0.020 1 239 37 37 ILE HG2 H 1.310 0.020 1 240 37 37 ILE HD1 H 1.036 0.020 1 241 37 37 ILE C C 176.835 0.400 1 242 37 37 ILE CA C 62.375 0.400 1 243 37 37 ILE N N 121.965 0.400 1 244 38 38 VAL H H 8.260 0.020 1 245 38 38 VAL HA H 3.664 0.020 1 246 38 38 VAL HB H 2.388 0.020 1 247 38 38 VAL HG1 H 1.168 0.020 2 248 38 38 VAL HG2 H 1.028 0.020 2 249 38 38 VAL C C 174.918 0.400 1 250 38 38 VAL CA C 64.859 0.400 1 251 38 38 VAL CB C 29.218 0.400 1 252 38 38 VAL CG1 C 20.541 0.400 2 253 38 38 VAL CG2 C 18.912 0.400 2 254 38 38 VAL N N 122.557 0.400 1 255 39 39 LEU H H 8.696 0.020 1 256 39 39 LEU HA H 3.996 0.020 1 257 39 39 LEU HB2 H 1.953 0.020 2 258 39 39 LEU HB3 H 1.953 0.020 2 259 39 39 LEU HG H 1.788 0.020 1 260 39 39 LEU HD1 H 0.992 0.020 2 261 39 39 LEU HD2 H 0.992 0.020 2 262 39 39 LEU C C 175.723 0.400 1 263 39 39 LEU CA C 55.727 0.400 1 264 39 39 LEU CB C 38.851 0.400 1 265 39 39 LEU CG C 26.576 0.400 1 266 39 39 LEU CD1 C 22.863 0.400 2 267 39 39 LEU N N 118.589 0.400 1 268 40 40 ASN H H 8.465 0.020 1 269 40 40 ASN HA H 4.616 0.020 1 270 40 40 ASN HB2 H 3.094 0.020 2 271 40 40 ASN HB3 H 2.946 0.020 2 272 40 40 ASN HD21 H 6.958 0.020 2 273 40 40 ASN HD22 H 7.709 0.020 2 274 40 40 ASN C C 175.594 0.400 1 275 40 40 ASN CA C 54.387 0.400 1 276 40 40 ASN CB C 36.290 0.400 1 277 40 40 ASN N N 116.129 0.400 1 278 40 40 ASN ND2 N 112.272 0.400 1 279 41 41 THR H H 8.155 0.020 1 280 41 41 THR HA H 4.079 0.020 1 281 41 41 THR HB H 4.486 0.020 1 282 41 41 THR HG2 H 1.347 0.020 1 283 41 41 THR C C 173.506 0.400 1 284 41 41 THR CA C 64.872 0.400 1 285 41 41 THR N N 116.616 0.400 1 286 42 42 LEU H H 8.312 0.020 1 287 42 42 LEU HA H 4.142 0.020 1 288 42 42 LEU HB2 H 1.874 0.020 2 289 42 42 LEU HB3 H 1.874 0.020 2 290 42 42 LEU HG H 1.678 0.020 1 291 42 42 LEU HD1 H 0.917 0.020 2 292 42 42 LEU HD2 H 0.974 0.020 2 293 42 42 LEU C C 175.788 0.400 1 294 42 42 LEU CA C 55.933 0.400 1 295 42 42 LEU CB C 39.010 0.400 1 296 42 42 LEU CG C 24.580 0.400 1 297 42 42 LEU CD1 C 21.637 0.400 2 298 42 42 LEU CD2 C 22.390 0.400 2 299 42 42 LEU N N 122.387 0.400 1 300 43 43 PHE H H 8.690 0.020 1 301 43 43 PHE HA H 4.506 0.020 1 302 43 43 PHE HB2 H 3.346 0.020 2 303 43 43 PHE HB3 H 3.408 0.020 2 304 43 43 PHE C C 176.024 0.400 1 305 43 43 PHE CA C 58.021 0.400 1 306 43 43 PHE CB C 35.310 0.400 1 307 43 43 PHE N N 117.916 0.400 1 308 44 44 MET H H 8.259 0.020 1 309 44 44 MET HA H 4.358 0.020 1 310 44 44 MET HB2 H 2.972 0.020 2 311 44 44 MET HB3 H 2.757 0.020 2 312 44 44 MET HG2 H 2.481 0.020 2 313 44 44 MET HG3 H 2.305 0.020 2 314 44 44 MET C C 176.432 0.400 1 315 44 44 MET CA C 55.937 0.400 1 316 44 44 MET CB C 29.601 0.400 1 317 44 44 MET CG C 29.832 0.400 1 318 44 44 MET N N 118.436 0.400 1 319 45 45 ALA H H 8.314 0.020 1 320 45 45 ALA HA H 4.300 0.020 1 321 45 45 ALA HB H 1.705 0.020 1 322 45 45 ALA C C 176.958 0.400 1 323 45 45 ALA CA C 52.711 0.400 1 324 45 45 ALA CB C 15.637 0.400 1 325 45 45 ALA N N 122.386 0.400 1 326 46 46 MET H H 8.264 0.020 1 327 46 46 MET HA H 4.335 0.020 1 328 46 46 MET HB2 H 2.864 0.020 2 329 46 46 MET HB3 H 2.691 0.020 2 330 46 46 MET C C 175.251 0.400 1 331 46 46 MET CA C 55.649 0.400 1 332 46 46 MET CB C 30.135 0.400 1 333 46 46 MET N N 115.432 0.400 1 334 47 47 GLU H H 7.842 0.020 1 335 47 47 GLU HA H 4.203 0.020 1 336 47 47 GLU HB2 H 2.093 0.020 2 337 47 47 GLU HB3 H 2.155 0.020 2 338 47 47 GLU HG2 H 2.307 0.020 2 339 47 47 GLU HG3 H 2.435 0.020 2 340 47 47 GLU C C 174.553 0.400 1 341 47 47 GLU CA C 55.443 0.400 1 342 47 47 GLU CB C 26.431 0.400 1 343 47 47 GLU N N 116.521 0.400 1 344 48 48 HIS H H 7.874 0.020 1 345 48 48 HIS HA H 4.624 0.020 1 346 48 48 HIS HB2 H 3.206 0.020 2 347 48 48 HIS HB3 H 3.307 0.020 2 348 48 48 HIS C C 171.298 0.400 1 349 48 48 HIS CA C 53.665 0.400 1 350 48 48 HIS CB C 26.571 0.400 1 351 48 48 HIS N N 114.535 0.400 1 352 49 49 TYR H H 7.942 0.020 1 353 49 49 TYR HA H 4.959 0.020 1 354 49 49 TYR HB2 H 3.089 0.020 2 355 49 49 TYR HB3 H 3.189 0.020 2 356 49 49 TYR C C 170.971 0.400 1 357 49 49 TYR CA C 53.616 0.400 1 358 49 49 TYR CB C 36.248 0.400 1 359 49 49 TYR N N 120.635 0.400 1 360 50 50 PRO HA H 4.660 0.020 1 361 50 50 PRO HB2 H 2.313 0.020 2 362 50 50 PRO HB3 H 2.313 0.020 2 363 50 50 PRO HG2 H 2.106 0.020 2 364 50 50 PRO HG3 H 2.072 0.020 2 365 50 50 PRO HD2 H 3.788 0.020 2 366 50 50 PRO HD3 H 3.502 0.020 2 367 50 50 PRO C C 174.792 0.400 1 368 50 50 PRO CA C 61.102 0.400 1 369 50 50 PRO CB C 28.432 0.400 1 370 50 50 PRO CG C 25.064 0.400 1 371 50 50 PRO CD C 47.849 0.400 1 372 51 51 MET H H 8.293 0.020 1 373 51 51 MET HA H 4.522 0.020 1 374 51 51 MET HB2 H 2.226 0.020 2 375 51 51 MET HB3 H 2.226 0.020 2 376 51 51 MET HG2 H 2.723 0.020 2 377 51 51 MET HG3 H 2.774 0.020 2 378 51 51 MET C C 174.467 0.400 1 379 51 51 MET CA C 54.609 0.400 1 380 51 51 MET CB C 30.437 0.400 1 381 51 51 MET CG C 29.827 0.400 1 382 51 51 MET N N 119.945 0.400 1 383 52 52 THR H H 8.039 0.020 1 384 52 52 THR HA H 4.151 0.020 1 385 52 52 THR HB H 4.423 0.020 1 386 52 52 THR C C 172.920 0.400 1 387 52 52 THR CA C 60.850 0.400 1 388 52 52 THR CB C 66.570 0.400 1 389 52 52 THR N N 110.567 0.400 1 390 53 53 GLU H H 8.083 0.020 1 391 53 53 GLU HA H 4.294 0.020 1 392 53 53 GLU HB2 H 1.986 0.020 2 393 53 53 GLU HB3 H 1.986 0.020 2 394 53 53 GLU HG2 H 2.273 0.020 2 395 53 53 GLU HG3 H 2.273 0.020 2 396 53 53 GLU C C 174.198 0.400 1 397 53 53 GLU CA C 55.005 0.400 1 398 53 53 GLU CB C 26.931 0.400 1 399 53 53 GLU CG C 32.890 0.400 1 400 53 53 GLU N N 120.521 0.400 1 401 54 54 HIS H H 8.060 0.020 1 402 54 54 HIS HA H 4.859 0.020 1 403 54 54 HIS HB2 H 3.397 0.020 2 404 54 54 HIS HB3 H 3.112 0.020 2 405 54 54 HIS C C 172.501 0.400 1 406 54 54 HIS CA C 53.253 0.400 1 407 54 54 HIS CB C 26.556 0.400 1 408 54 54 HIS N N 115.617 0.400 1 409 55 55 PHE H H 8.209 0.020 1 410 55 55 PHE HA H 4.670 0.020 1 411 55 55 PHE HB2 H 3.362 0.020 2 412 55 55 PHE HB3 H 3.267 0.020 2 413 55 55 PHE C C 173.412 0.400 1 414 55 55 PHE CA C 56.345 0.400 1 415 55 55 PHE CB C 36.502 0.400 1 416 55 55 PHE N N 119.817 0.400 1 417 56 56 ASP H H 8.499 0.020 1 418 56 56 ASP HA H 4.500 0.020 1 419 56 56 ASP HB2 H 2.843 0.020 2 420 56 56 ASP HB3 H 2.843 0.020 2 421 56 56 ASP C C 174.587 0.400 1 422 56 56 ASP CA C 53.588 0.400 1 423 56 56 ASP CB C 37.311 0.400 1 424 56 56 ASP N N 118.735 0.400 1 425 57 57 ASN H H 8.218 0.020 1 426 57 57 ASN HA H 4.750 0.020 1 427 57 57 ASN HB2 H 2.993 0.020 2 428 57 57 ASN HB3 H 2.993 0.020 2 429 57 57 ASN C C 173.739 0.400 1 430 57 57 ASN CA C 52.222 0.400 1 431 57 57 ASN CB C 36.186 0.400 1 432 57 57 ASN N N 116.863 0.400 1 433 58 58 VAL H H 7.951 0.020 1 434 58 58 VAL HA H 3.978 0.020 1 435 58 58 VAL HB H 2.295 0.020 1 436 58 58 VAL HG1 H 1.050 0.020 2 437 58 58 VAL HG2 H 1.147 0.020 2 438 58 58 VAL C C 173.962 0.400 1 439 58 58 VAL CA C 62.221 0.400 1 440 58 58 VAL CB C 29.499 0.400 1 441 58 58 VAL CG1 C 19.128 0.400 2 442 58 58 VAL CG2 C 18.734 0.400 2 443 58 58 VAL N N 118.236 0.400 1 444 59 59 LEU H H 7.987 0.020 1 445 59 59 LEU C C 175.170 0.400 1 446 59 59 LEU CA C 53.923 0.400 1 447 59 59 LEU N N 120.053 0.400 1 448 60 60 THR H H 7.903 0.020 1 449 60 60 THR HA H 4.382 0.020 1 450 60 60 THR HB H 4.487 0.020 1 451 60 60 THR HG2 H 1.353 0.020 1 452 60 60 THR C C 173.618 0.400 1 453 60 60 THR CA C 61.059 0.400 1 454 60 60 THR N N 113.865 0.400 1 455 61 61 VAL H H 8.199 0.020 1 456 61 61 VAL HA H 3.901 0.020 1 457 61 61 VAL HB H 2.289 0.020 1 458 61 61 VAL HG1 H 1.165 0.020 2 459 61 61 VAL HG2 H 1.068 0.020 2 460 61 61 VAL C C 174.939 0.400 1 461 61 61 VAL CA C 63.304 0.400 1 462 61 61 VAL CB C 29.194 0.400 1 463 61 61 VAL CG1 C 20.774 0.400 2 464 61 61 VAL CG2 C 18.878 0.400 2 465 61 61 VAL N N 120.954 0.400 1 466 62 62 GLY H H 8.655 0.020 1 467 62 62 GLY HA2 H 3.916 0.020 2 468 62 62 GLY HA3 H 3.812 0.020 2 469 62 62 GLY C C 172.362 0.400 1 470 62 62 GLY CA C 44.851 0.400 1 471 62 62 GLY N N 107.433 0.400 1 472 63 63 ASN H H 8.246 0.020 1 473 63 63 ASN HA H 4.700 0.020 1 474 63 63 ASN HB2 H 3.054 0.020 2 475 63 63 ASN HB3 H 3.017 0.020 2 476 63 63 ASN HD21 H 7.679 0.020 2 477 63 63 ASN HD22 H 7.032 0.020 2 478 63 63 ASN C C 175.218 0.400 1 479 63 63 ASN CA C 53.304 0.400 1 480 63 63 ASN CB C 36.123 0.400 1 481 63 63 ASN N N 118.784 0.400 1 482 63 63 ASN ND2 N 112.133 0.400 1 483 64 64 LEU H H 8.107 0.020 1 484 64 64 LEU HA H 4.290 0.020 1 485 64 64 LEU HB2 H 2.086 0.020 2 486 64 64 LEU HB3 H 1.967 0.020 2 487 64 64 LEU HG H 1.784 0.020 1 488 64 64 LEU HD1 H 1.352 0.020 2 489 64 64 LEU HD2 H 1.049 0.020 2 490 64 64 LEU C C 176.045 0.400 1 491 64 64 LEU CA C 55.443 0.400 1 492 64 64 LEU CB C 39.529 0.400 1 493 64 64 LEU CG C 26.699 0.400 1 494 64 64 LEU CD2 C 22.694 0.400 2 495 64 64 LEU N N 121.959 0.400 1 496 65 65 VAL H H 8.260 0.020 1 497 65 65 VAL HA H 3.790 0.020 1 498 65 65 VAL HB H 2.248 0.020 1 499 65 65 VAL HG1 H 1.111 0.020 2 500 65 65 VAL HG2 H 0.930 0.020 2 501 65 65 VAL C C 174.767 0.400 1 502 65 65 VAL CA C 63.642 0.400 1 503 65 65 VAL CB C 29.046 0.400 1 504 65 65 VAL CG1 C 20.103 0.400 2 505 65 65 VAL CG2 C 18.876 0.400 2 506 65 65 VAL N N 118.352 0.400 1 507 66 66 PHE H H 8.341 0.020 1 508 66 66 PHE HA H 4.441 0.020 1 509 66 66 PHE HB2 H 3.346 0.020 2 510 66 66 PHE HB3 H 3.346 0.020 2 511 66 66 PHE C C 174.735 0.400 1 512 66 66 PHE CA C 58.381 0.400 1 513 66 66 PHE N N 118.405 0.400 1 514 67 67 THR H H 8.274 0.020 1 515 67 67 THR HA H 4.201 0.020 1 516 67 67 THR HB H 4.479 0.020 1 517 67 67 THR HG2 H 1.423 0.020 1 518 67 67 THR C C 176.458 0.400 1 519 67 67 THR CA C 63.506 0.400 1 520 67 67 THR CB C 66.648 0.400 1 521 67 67 THR CG2 C 19.267 0.400 1 522 67 67 THR N N 113.470 0.400 1 523 72 72 ALA H H 8.524 0.020 1 524 72 72 ALA HA H 4.076 0.020 1 525 72 72 ALA HB H 1.605 0.020 1 526 72 72 ALA C C 176.335 0.400 1 527 72 72 ALA CA C 52.792 0.400 1 528 72 72 ALA CB C 15.627 0.400 1 529 72 72 ALA N N 123.628 0.400 1 530 73 73 GLU H H 8.488 0.020 1 531 73 73 GLU HA H 4.516 0.020 1 532 73 73 GLU HB2 H 2.172 0.020 2 533 73 73 GLU HB3 H 2.172 0.020 2 534 73 73 GLU HG2 H 2.417 0.020 2 535 73 73 GLU HG3 H 2.622 0.020 2 536 73 73 GLU C C 175.702 0.400 1 537 73 73 GLU CA C 57.093 0.400 1 538 73 73 GLU CG C 32.101 0.400 1 539 73 73 GLU N N 116.136 0.400 1 540 74 74 MET H H 7.946 0.020 1 541 74 74 MET C C 175.798 0.400 1 542 74 74 MET CA C 55.754 0.400 1 543 74 74 MET N N 118.199 0.400 1 544 75 75 VAL H H 8.056 0.020 1 545 75 75 VAL HA H 3.717 0.020 1 546 75 75 VAL HB H 2.313 0.020 1 547 75 75 VAL HG1 H 1.157 0.020 2 548 75 75 VAL HG2 H 1.026 0.020 2 549 75 75 VAL C C 174.896 0.400 1 550 75 75 VAL CA C 64.180 0.400 1 551 75 75 VAL CB C 29.018 0.400 1 552 75 75 VAL CG1 C 20.633 0.400 2 553 75 75 VAL CG2 C 19.212 0.400 2 554 75 75 VAL N N 118.800 0.400 1 555 76 76 LEU H H 8.215 0.020 1 556 76 76 LEU HA H 4.095 0.020 1 557 76 76 LEU HB2 H 1.946 0.020 2 558 76 76 LEU HG H 1.654 0.020 1 559 76 76 LEU HD1 H 0.974 0.020 2 560 76 76 LEU HD2 H 0.974 0.020 2 561 76 76 LEU C C 176.482 0.400 1 562 76 76 LEU CA C 55.521 0.400 1 563 76 76 LEU CB C 39.060 0.400 1 564 76 76 LEU CG C 24.822 0.400 1 565 76 76 LEU CD1 C 22.506 0.400 2 566 76 76 LEU N N 118.781 0.400 1 567 77 77 LYS H H 7.851 0.020 1 568 77 77 LYS C C 175.949 0.400 1 569 77 77 LYS CA C 56.809 0.400 1 570 77 77 LYS CB C 29.745 0.400 1 571 77 77 LYS N N 117.902 0.400 1 572 78 78 LEU H H 7.817 0.020 1 573 78 78 LEU HA H 4.256 0.020 1 574 78 78 LEU HB3 H 1.764 0.020 2 575 78 78 LEU C C 176.551 0.400 1 576 78 78 LEU CA C 55.160 0.400 1 577 78 78 LEU CB C 39.437 0.400 1 578 78 78 LEU N N 119.155 0.400 1 579 79 79 ILE H H 8.015 0.020 1 580 79 79 ILE HA H 3.887 0.020 1 581 79 79 ILE HB H 2.027 0.020 1 582 79 79 ILE HG12 H 1.340 0.020 2 583 79 79 ILE HG13 H 1.675 0.020 2 584 79 79 ILE HG2 H 0.969 0.020 1 585 79 79 ILE HD1 H 0.861 0.020 1 586 79 79 ILE C C 174.099 0.400 1 587 79 79 ILE CA C 61.180 0.400 1 588 79 79 ILE CB C 35.474 0.400 1 589 79 79 ILE CG2 C 15.066 0.400 1 590 79 79 ILE CD1 C 11.236 0.400 1 591 79 79 ILE N N 115.978 0.400 1 592 80 80 ALA H H 7.814 0.020 1 593 80 80 ALA C C 175.335 0.400 1 594 80 80 ALA CA C 50.778 0.400 1 595 80 80 ALA CB C 16.177 0.400 1 596 80 80 ALA N N 120.290 0.400 1 597 81 81 MET H H 7.659 0.020 1 598 81 81 MET HA H 4.452 0.020 1 599 81 81 MET HB2 H 2.270 0.020 2 600 81 81 MET HB3 H 2.270 0.020 2 601 81 81 MET HG2 H 2.853 0.020 2 602 81 81 MET HG3 H 2.723 0.020 2 603 81 81 MET CA C 54.077 0.400 1 604 81 81 MET CB C 29.736 0.400 1 605 81 81 MET N N 116.357 0.400 1 606 82 82 ASP H H 8.001 0.020 1 607 82 82 ASP HA H 5.013 0.020 1 608 82 82 ASP HB2 H 2.826 0.020 2 609 82 82 ASP HB3 H 3.184 0.020 2 610 82 82 ASP CA C 49.602 0.400 1 611 82 82 ASP CB C 37.711 0.400 1 612 82 82 ASP N N 116.802 0.400 1 613 83 83 PRO HA H 4.437 0.020 1 614 83 83 PRO HB2 H 2.059 0.020 2 615 83 83 PRO HB3 H 2.241 0.020 2 616 83 83 PRO HG2 H 1.870 0.020 2 617 83 83 PRO HG3 H 1.960 0.020 2 618 83 83 PRO HD2 H 4.009 0.020 2 619 83 83 PRO HD3 H 4.009 0.020 2 620 83 83 PRO C C 175.007 0.400 1 621 83 83 PRO CA C 62.608 0.400 1 622 83 83 PRO CB C 29.325 0.400 1 623 83 83 PRO CG C 24.413 0.400 1 624 83 83 PRO CD C 47.582 0.400 1 625 84 84 TYR H H 8.139 0.020 1 626 84 84 TYR HA H 4.324 0.020 1 627 84 84 TYR HB2 H 3.188 0.020 2 628 84 84 TYR HB3 H 3.188 0.020 2 629 84 84 TYR HD1 H 7.234 0.020 1 630 84 84 TYR HD2 H 7.234 0.020 1 631 84 84 TYR C C 175.111 0.400 1 632 84 84 TYR CA C 58.383 0.400 1 633 84 84 TYR CB C 35.123 0.400 1 634 84 84 TYR N N 116.357 0.400 1 635 85 85 GLU H H 7.824 0.020 1 636 85 85 GLU HA H 4.192 0.020 1 637 85 85 GLU HB2 H 2.097 0.020 2 638 85 85 GLU HB3 H 2.021 0.020 2 639 85 85 GLU HG2 H 2.302 0.020 2 640 85 85 GLU HG3 H 2.302 0.020 2 641 85 85 GLU C C 175.659 0.400 1 642 85 85 GLU CA C 55.778 0.400 1 643 85 85 GLU CB C 26.119 0.400 1 644 85 85 GLU CG C 32.524 0.400 1 645 85 85 GLU N N 118.023 0.400 1 646 86 86 TYR H H 7.668 0.020 1 647 86 86 TYR HA H 4.376 0.020 1 648 86 86 TYR HB2 H 2.929 0.020 2 649 86 86 TYR HB3 H 2.993 0.020 2 650 86 86 TYR C C 174.757 0.400 1 651 86 86 TYR CA C 58.330 0.400 1 652 86 86 TYR CB C 36.029 0.400 1 653 86 86 TYR N N 117.482 0.400 1 654 87 87 PHE H H 8.203 0.020 1 655 87 87 PHE HA H 4.495 0.020 1 656 87 87 PHE HB2 H 3.339 0.020 2 657 87 87 PHE HB3 H 3.220 0.020 2 658 87 87 PHE C C 174.230 0.400 1 659 87 87 PHE CA C 57.454 0.400 1 660 87 87 PHE CB C 36.252 0.400 1 661 87 87 PHE N N 118.265 0.400 1 662 88 88 GLN H H 8.092 0.020 1 663 88 88 GLN HA H 4.182 0.020 1 664 88 88 GLN HE21 H 6.863 0.020 2 665 88 88 GLN HE22 H 7.288 0.020 2 666 88 88 GLN N N 117.788 0.400 1 667 88 88 GLN NE2 N 111.729 0.400 1 668 89 89 GLN H H 8.070 0.020 1 669 89 89 GLN HA H 4.379 0.020 1 670 89 89 GLN HB2 H 2.249 0.020 2 671 89 89 GLN HB3 H 2.170 0.020 2 672 89 89 GLN HG2 H 2.546 0.020 2 673 89 89 GLN HG3 H 1.339 0.020 2 674 89 89 GLN HE21 H 7.401 0.020 2 675 89 89 GLN HE22 H 6.759 0.020 2 676 89 89 GLN N N 117.781 0.400 1 677 89 89 GLN NE2 N 110.821 0.400 1 678 90 90 GLY H H 8.397 0.020 1 679 90 90 GLY HA2 H 3.868 0.020 2 680 90 90 GLY HA3 H 3.868 0.020 2 681 90 90 GLY C C 171.803 0.400 1 682 90 90 GLY CA C 44.292 0.400 1 683 90 90 GLY N N 107.546 0.400 1 684 91 91 TRP H H 8.393 0.020 1 685 91 91 TRP HA H 4.599 0.020 1 686 91 91 TRP HB2 H 3.395 0.020 2 687 91 91 TRP HB3 H 3.231 0.020 2 688 91 91 TRP HD1 H 7.285 0.020 1 689 91 91 TRP HE1 H 10.047 0.020 1 690 91 91 TRP HZ2 H 7.502 0.020 1 691 91 91 TRP C C 174.305 0.400 1 692 91 91 TRP CA C 56.474 0.400 1 693 91 91 TRP CB C 26.931 0.400 1 694 91 91 TRP N N 121.803 0.400 1 695 91 91 TRP NE1 N 128.377 0.400 1 696 92 92 ASN H H 8.311 0.020 1 697 92 92 ASN HA H 4.657 0.020 1 698 92 92 ASN HB2 H 3.037 0.020 2 699 92 92 ASN HB3 H 3.037 0.020 2 700 92 92 ASN HD21 H 7.694 0.020 2 701 92 92 ASN HD22 H 7.036 0.020 2 702 92 92 ASN C C 175.014 0.400 1 703 92 92 ASN CA C 52.711 0.400 1 704 92 92 ASN CB C 35.865 0.400 1 705 92 92 ASN N N 117.937 0.400 1 706 92 92 ASN ND2 N 112.137 0.400 1 707 93 93 ILE H H 8.072 0.020 1 708 93 93 ILE HA H 3.976 0.020 1 709 93 93 ILE HB H 2.010 0.020 1 710 93 93 ILE HG12 H 1.474 0.020 2 711 93 93 ILE HG13 H 1.249 0.020 2 712 93 93 ILE HG2 H 0.966 0.020 1 713 93 93 ILE HD1 H 0.883 0.020 1 714 93 93 ILE C C 174.606 0.400 1 715 93 93 ILE CA C 61.448 0.400 1 716 93 93 ILE CB C 35.877 0.400 1 717 93 93 ILE CG1 C 26.004 0.400 1 718 93 93 ILE CG2 C 15.067 0.400 1 719 93 93 ILE CD1 C 10.662 0.400 1 720 93 93 ILE N N 120.498 0.400 1 721 94 94 PHE H H 8.246 0.020 1 722 94 94 PHE HA H 4.284 0.020 1 723 94 94 PHE HB2 H 3.285 0.020 2 724 94 94 PHE HB3 H 3.177 0.020 2 725 94 94 PHE C C 174.198 0.400 1 726 94 94 PHE CA C 58.742 0.400 1 727 94 94 PHE CB C 36.373 0.400 1 728 94 94 PHE N N 120.778 0.400 1 729 95 95 ASP H H 8.531 0.020 1 730 95 95 ASP HA H 4.354 0.020 1 731 95 95 ASP HB2 H 2.648 0.020 2 732 95 95 ASP HB3 H 2.713 0.020 2 733 95 95 ASP C C 175.090 0.400 1 734 95 95 ASP CA C 54.283 0.400 1 735 95 95 ASP CB C 37.186 0.400 1 736 95 95 ASP N N 117.724 0.400 1 737 96 96 SER H H 7.863 0.020 1 738 96 96 SER HA H 4.387 0.020 1 739 96 96 SER HB2 H 4.165 0.020 2 740 96 96 SER HB3 H 4.041 0.020 2 741 96 96 SER C C 173.951 0.400 1 742 96 96 SER CA C 59.077 0.400 1 743 96 96 SER CB C 60.822 0.400 1 744 96 96 SER N N 113.495 0.400 1 745 97 97 ILE H H 8.071 0.020 1 746 97 97 ILE HA H 3.922 0.020 1 747 97 97 ILE HB H 2.129 0.020 1 748 97 97 ILE HG12 H 1.848 0.020 2 749 97 97 ILE HG13 H 1.848 0.020 2 750 97 97 ILE HG2 H 1.323 0.020 1 751 97 97 ILE HD1 H 0.952 0.020 1 752 97 97 ILE C C 174.499 0.400 1 753 97 97 ILE CA C 61.989 0.400 1 754 97 97 ILE CB C 35.322 0.400 1 755 97 97 ILE CG2 C 19.222 0.400 1 756 97 97 ILE CD1 C 11.016 0.400 1 757 97 97 ILE N N 122.778 0.400 1 758 98 98 ILE H H 8.016 0.020 1 759 98 98 ILE HA H 3.808 0.020 1 760 98 98 ILE HB H 2.044 0.020 1 761 98 98 ILE HG12 H 1.506 0.020 2 762 98 98 ILE HG13 H 1.242 0.020 2 763 98 98 ILE HG2 H 0.965 0.020 1 764 98 98 ILE HD1 H 0.826 0.020 1 765 98 98 ILE C C 175.820 0.400 1 766 98 98 ILE CA C 61.732 0.400 1 767 98 98 ILE CB C 34.272 0.400 1 768 98 98 ILE CG1 C 25.644 0.400 1 769 98 98 ILE CG2 C 15.199 0.400 1 770 98 98 ILE CD1 C 9.546 0.400 1 771 98 98 ILE N N 119.803 0.400 1 772 99 99 VAL H H 7.998 0.020 1 773 99 99 VAL HA H 3.922 0.020 1 774 99 99 VAL HB H 2.282 0.020 1 775 99 99 VAL HG1 H 1.160 0.020 2 776 99 99 VAL HG2 H 1.067 0.020 2 777 99 99 VAL C C 175.774 0.400 1 778 99 99 VAL CA C 63.304 0.400 1 779 99 99 VAL CB C 29.123 0.400 1 780 99 99 VAL CG1 C 19.910 0.400 2 781 99 99 VAL CG2 C 19.157 0.400 2 782 99 99 VAL N N 119.274 0.400 1 783 100 100 THR H H 7.895 0.020 1 784 100 100 THR HA H 4.087 0.020 1 785 100 100 THR HB H 4.396 0.020 1 786 100 100 THR HG2 H 1.312 0.020 1 787 100 100 THR C C 173.382 0.400 1 788 100 100 THR CA C 63.845 0.400 1 789 100 100 THR CB C 66.285 0.400 1 790 100 100 THR CG2 C 19.334 0.400 1 791 100 100 THR N N 116.443 0.400 1 792 101 101 LEU H H 8.357 0.020 1 793 101 101 LEU HA H 4.214 0.020 1 794 101 101 LEU HB2 H 1.956 0.020 2 795 101 101 LEU HB3 H 1.956 0.020 2 796 101 101 LEU HG H 1.708 0.020 1 797 101 101 LEU HD1 H 1.030 0.020 2 798 101 101 LEU HD2 H 0.987 0.020 2 799 101 101 LEU C C 175.423 0.400 1 800 101 101 LEU CA C 54.722 0.400 1 801 101 101 LEU CB C 39.089 0.400 1 802 101 101 LEU CG C 26.554 0.400 1 803 101 101 LEU CD1 C 21.354 0.400 2 804 101 101 LEU CD2 C 22.757 0.400 2 805 101 101 LEU N N 120.678 0.400 1 806 102 102 SER H H 8.146 0.020 1 807 102 102 SER HA H 4.408 0.020 1 808 102 102 SER HB2 H 4.139 0.020 2 809 102 102 SER HB3 H 4.187 0.020 2 810 102 102 SER C C 173.403 0.400 1 811 102 102 SER CA C 58.536 0.400 1 812 102 102 SER CB C 60.462 0.400 1 813 102 102 SER N N 114.585 0.400 1 814 103 103 LEU H H 7.960 0.020 1 815 103 103 LEU HA H 4.311 0.020 1 816 103 103 LEU HB2 H 1.711 0.020 2 817 103 103 LEU HB3 H 1.925 0.020 2 818 103 103 LEU HG H 1.532 0.020 1 819 103 103 LEU HD1 H 0.989 0.020 2 820 103 103 LEU HD2 H 1.039 0.020 2 821 103 103 LEU C C 176.346 0.400 1 822 103 103 LEU CA C 54.850 0.400 1 823 103 103 LEU CB C 39.437 0.400 1 824 103 103 LEU CD1 C 22.906 0.400 2 825 103 103 LEU CD2 C 22.578 0.400 2 826 103 103 LEU N N 121.717 0.400 1 827 104 104 VAL H H 8.033 0.020 1 828 104 104 VAL HA H 3.853 0.020 1 829 104 104 VAL HB H 2.368 0.020 1 830 104 104 VAL HG1 H 1.153 0.020 2 831 104 104 VAL HG2 H 1.047 0.020 2 832 104 104 VAL C C 174.768 0.400 1 833 104 104 VAL CA C 63.098 0.400 1 834 104 104 VAL CB C 29.235 0.400 1 835 104 104 VAL CG1 C 19.773 0.400 2 836 104 104 VAL CG2 C 18.975 0.400 2 837 104 104 VAL N N 118.407 0.400 1 838 105 105 GLU H H 8.286 0.020 1 839 105 105 GLU HA H 4.124 0.020 1 840 105 105 GLU HB2 H 2.269 0.020 2 841 105 105 GLU HB3 H 2.269 0.020 2 842 105 105 GLU HG2 H 2.582 0.020 2 843 105 105 GLU HG3 H 2.442 0.020 2 844 105 105 GLU C C 175.272 0.400 1 845 105 105 GLU CA C 56.371 0.400 1 846 105 105 GLU CB C 26.060 0.400 1 847 105 105 GLU CG C 32.101 0.400 1 848 105 105 GLU N N 119.340 0.400 1 849 106 106 LEU H H 7.966 0.020 1 850 106 106 LEU HA H 4.313 0.020 1 851 106 106 LEU HB2 H 1.946 0.020 2 852 106 106 LEU HB3 H 1.808 0.020 2 853 106 106 LEU HG H 1.696 0.020 1 854 106 106 LEU HD1 H 1.002 0.020 2 855 106 106 LEU HD2 H 1.039 0.020 2 856 106 106 LEU C C 176.292 0.400 1 857 106 106 LEU CA C 54.464 0.400 1 858 106 106 LEU CB C 39.691 0.400 1 859 106 106 LEU CG C 24.610 0.400 1 860 106 106 LEU CD1 C 22.861 0.400 2 861 106 106 LEU CD2 C 22.645 0.400 2 862 106 106 LEU N N 119.635 0.400 1 863 107 107 GLY H H 8.285 0.020 1 864 107 107 GLY HA2 H 4.041 0.020 2 865 107 107 GLY HA3 H 3.879 0.020 2 866 107 107 GLY C C 172.662 0.400 1 867 107 107 GLY CA C 44.335 0.400 1 868 107 107 GLY N N 106.739 0.400 1 869 108 108 LEU H H 8.257 0.020 1 870 108 108 LEU HA H 4.297 0.020 1 871 108 108 LEU HB2 H 1.908 0.020 2 872 108 108 LEU HB3 H 1.908 0.020 2 873 108 108 LEU HG H 1.695 0.020 1 874 108 108 LEU HD1 H 0.961 0.020 2 875 108 108 LEU HD2 H 1.001 0.020 2 876 108 108 LEU C C 175.261 0.400 1 877 108 108 LEU CA C 54.026 0.400 1 878 108 108 LEU CB C 39.437 0.400 1 879 108 108 LEU CG C 24.566 0.400 1 880 108 108 LEU CD1 C 22.864 0.400 2 881 108 108 LEU CD2 C 22.662 0.400 2 882 108 108 LEU N N 120.336 0.400 1 883 109 109 ALA H H 7.978 0.020 1 884 109 109 ALA HA H 4.323 0.020 1 885 109 109 ALA HB H 1.581 0.020 1 886 109 109 ALA C C 175.766 0.400 1 887 109 109 ALA CA C 51.176 0.400 1 888 109 109 ALA CB C 16.118 0.400 1 889 109 109 ALA N N 119.945 0.400 1 890 110 110 ASN H H 7.990 0.020 1 891 110 110 ASN HA H 4.882 0.020 1 892 110 110 ASN HB2 H 2.885 0.020 2 893 110 110 ASN HB3 H 3.034 0.020 2 894 110 110 ASN HD21 H 7.677 0.020 2 895 110 110 ASN HD22 H 7.051 0.020 2 896 110 110 ASN C C 173.070 0.400 1 897 110 110 ASN CA C 51.344 0.400 1 898 110 110 ASN CB C 37.124 0.400 1 899 110 110 ASN N N 114.656 0.400 1 900 110 110 ASN ND2 N 112.810 0.400 1 901 111 111 VAL H H 7.847 0.020 1 902 111 111 VAL HA H 4.204 0.020 1 903 111 111 VAL HB H 2.377 0.020 1 904 111 111 VAL HG1 H 1.141 0.020 2 905 111 111 VAL HG2 H 1.092 0.020 2 906 111 111 VAL C C 173.532 0.400 1 907 111 111 VAL CA C 60.675 0.400 1 908 111 111 VAL CB C 29.437 0.400 1 909 111 111 VAL CG1 C 18.879 0.400 2 910 111 111 VAL CG2 C 19.090 0.400 2 911 111 111 VAL N N 118.500 0.400 1 912 112 112 GLN H H 8.413 0.020 1 913 112 112 GLN HA H 4.325 0.020 1 914 112 112 GLN HB2 H 2.223 0.020 2 915 112 112 GLN HB3 H 2.256 0.020 2 916 112 112 GLN HG2 H 2.537 0.020 2 917 112 112 GLN HG3 H 2.537 0.020 2 918 112 112 GLN HE21 H 7.540 0.020 2 919 112 112 GLN HE22 H 6.878 0.020 2 920 112 112 GLN C C 174.499 0.400 1 921 112 112 GLN CA C 54.903 0.400 1 922 112 112 GLN N N 122.365 0.400 1 923 112 112 GLN NE2 N 111.568 0.400 1 924 113 113 GLY H H 8.458 0.020 1 925 113 113 GLY HA2 H 4.055 0.020 2 926 113 113 GLY HA3 H 4.055 0.020 2 927 113 113 GLY C C 172.039 0.400 1 928 113 113 GLY CA C 43.511 0.400 1 929 113 113 GLY N N 107.529 0.400 1 930 114 114 LEU H H 7.985 0.020 1 931 114 114 LEU HA H 4.358 0.020 1 932 114 114 LEU HB2 H 1.930 0.020 2 933 114 114 LEU HB3 H 1.886 0.020 2 934 114 114 LEU HG H 1.765 0.020 1 935 114 114 LEU HD1 H 0.998 0.020 2 936 114 114 LEU HD2 H 1.064 0.020 2 937 114 114 LEU C C 175.487 0.400 1 938 114 114 LEU CA C 53.536 0.400 1 939 114 114 LEU CB C 39.129 0.400 1 940 114 114 LEU CG C 26.712 0.400 1 941 114 114 LEU CD1 C 21.408 0.400 2 942 114 114 LEU CD2 C 22.813 0.400 2 943 114 114 LEU N N 119.567 0.400 1 944 115 115 SER H H 8.341 0.020 1 945 115 115 SER HA H 4.274 0.020 1 946 115 115 SER HB2 H 4.105 0.020 2 947 115 115 SER HB3 H 4.105 0.020 2 948 115 115 SER C C 174.187 0.400 1 949 115 115 SER CA C 58.474 0.400 1 950 115 115 SER CB C 60.210 0.400 1 951 115 115 SER N N 116.037 0.400 1 952 116 116 VAL H H 7.904 0.020 1 953 116 116 VAL HA H 4.088 0.020 1 954 116 116 VAL HB H 2.342 0.020 1 955 116 116 VAL HG1 H 1.146 0.020 2 956 116 116 VAL HG2 H 1.077 0.020 2 957 116 116 VAL C C 174.175 0.400 1 958 116 116 VAL CA C 61.861 0.400 1 959 116 116 VAL CB C 28.999 0.400 1 960 116 116 VAL CG1 C 18.985 0.400 2 961 116 116 VAL CG2 C 18.739 0.400 2 962 116 116 VAL N N 120.037 0.400 1 963 117 117 LEU H H 7.772 0.020 1 964 117 117 LEU HA H 4.214 0.020 1 965 117 117 LEU HB2 H 1.958 0.020 2 966 117 117 LEU HB3 H 1.879 0.020 2 967 117 117 LEU HG H 1.759 0.020 1 968 117 117 LEU HD1 H 0.967 0.020 2 969 117 117 LEU HD2 H 1.068 0.020 2 970 117 117 LEU C C 175.132 0.400 1 971 117 117 LEU CA C 54.155 0.400 1 972 117 117 LEU CB C 39.003 0.400 1 973 117 117 LEU CG C 26.606 0.400 1 974 117 117 LEU CD1 C 22.673 0.400 2 975 117 117 LEU CD2 C 23.094 0.400 2 976 117 117 LEU N N 118.998 0.400 1 977 118 118 ARG H H 7.813 0.020 1 978 118 118 ARG HA H 4.288 0.020 1 979 118 118 ARG HB2 H 2.092 0.020 2 980 118 118 ARG HB3 H 2.092 0.020 2 981 118 118 ARG HG2 H 2.000 0.020 2 982 118 118 ARG HG3 H 2.000 0.020 2 983 118 118 ARG HD2 H 3.347 0.020 2 984 118 118 ARG HD3 H 3.347 0.020 2 985 118 118 ARG C C 174.692 0.400 1 986 118 118 ARG CA C 55.211 0.400 1 987 118 118 ARG CB C 27.619 0.400 1 988 118 118 ARG CD C 41.006 0.400 1 989 118 118 ARG N N 115.880 0.400 1 990 119 119 SER H H 7.901 0.020 1 991 119 119 SER HA H 4.500 0.020 1 992 119 119 SER HB2 H 4.043 0.020 2 993 119 119 SER HB3 H 4.004 0.020 2 994 119 119 SER C C 172.061 0.400 1 995 119 119 SER CA C 57.067 0.400 1 996 119 119 SER CB C 61.135 0.400 1 997 119 119 SER N N 113.880 0.400 1 998 120 120 PHE H H 7.958 0.020 1 999 120 120 PHE HA H 4.635 0.020 1 1000 120 120 PHE HB2 H 3.307 0.020 2 1001 120 120 PHE HB3 H 3.307 0.020 2 1002 120 120 PHE C C 173.618 0.400 1 1003 120 120 PHE CA C 55.933 0.400 1 1004 120 120 PHE CB C 36.252 0.400 1 1005 120 120 PHE N N 121.553 0.400 1 1006 121 121 ARG H H 8.171 0.020 1 1007 121 121 ARG HA H 4.300 0.020 1 1008 121 121 ARG HB2 H 1.978 0.020 2 1009 121 121 ARG HB3 H 1.978 0.020 2 1010 121 121 ARG HG2 H 1.782 0.020 2 1011 121 121 ARG HG3 H 1.782 0.020 2 1012 121 121 ARG HD2 H 3.348 0.020 2 1013 121 121 ARG HD3 H 3.348 0.020 2 1014 121 121 ARG C C 174.680 0.400 1 1015 121 121 ARG CA C 54.799 0.400 1 1016 121 121 ARG CB C 27.186 0.400 1 1017 121 121 ARG CG C 24.745 0.400 1 1018 121 121 ARG CD C 41.076 0.400 1 1019 121 121 ARG N N 120.906 0.400 1 1020 122 122 LEU H H 7.967 0.020 1 1021 122 122 LEU C C 175.082 0.400 1 1022 122 122 LEU CA C 54.464 0.400 1 1023 122 122 LEU N N 119.602 0.400 1 1024 123 123 LEU H H 8.037 0.020 1 1025 123 123 LEU HA H 4.244 0.020 1 1026 123 123 LEU HB2 H 1.938 0.020 2 1027 123 123 LEU HB3 H 1.938 0.020 2 1028 123 123 LEU HG H 1.799 0.020 1 1029 123 123 LEU HD1 H 1.029 0.020 2 1030 123 123 LEU HD2 H 1.029 0.020 2 1031 123 123 LEU C C 175.841 0.400 1 1032 123 123 LEU CA C 54.644 0.400 1 1033 123 123 LEU CB C 39.361 0.400 1 1034 123 123 LEU CG C 26.716 0.400 1 1035 123 123 LEU CD1 C 22.723 0.400 2 1036 123 123 LEU N N 116.677 0.400 1 1037 124 124 ARG H H 7.908 0.020 1 1038 124 124 ARG HA H 4.244 0.020 1 1039 124 124 ARG HB2 H 2.046 0.020 2 1040 124 124 ARG HB3 H 2.046 0.020 2 1041 124 124 ARG HG2 H 1.825 0.020 2 1042 124 124 ARG HG3 H 1.825 0.020 2 1043 124 124 ARG HD2 H 3.347 0.020 2 1044 124 124 ARG HD3 H 3.347 0.020 2 1045 124 124 ARG C C 175.433 0.400 1 1046 124 124 ARG CA C 55.856 0.400 1 1047 124 124 ARG CB C 27.373 0.400 1 1048 124 124 ARG CG C 24.895 0.400 1 1049 124 124 ARG CD C 41.007 0.400 1 1050 124 124 ARG N N 117.717 0.400 1 1051 125 125 VAL H H 7.713 0.020 1 1052 125 125 VAL HA H 3.912 0.020 1 1053 125 125 VAL HB H 2.261 0.020 1 1054 125 125 VAL HG1 H 0.939 0.020 2 1055 125 125 VAL C C 173.854 0.400 1 1056 125 125 VAL CA C 62.402 0.400 1 1057 125 125 VAL CB C 28.936 0.400 1 1058 125 125 VAL CG1 C 18.765 0.400 2 1059 125 125 VAL N N 116.613 0.400 1 1060 126 126 PHE H H 7.810 0.020 1 1061 126 126 PHE HA H 4.434 0.020 1 1062 126 126 PHE HB2 H 3.360 0.020 2 1063 126 126 PHE HB3 H 3.231 0.020 2 1064 126 126 PHE C C 173.854 0.400 1 1065 126 126 PHE CA C 57.402 0.400 1 1066 126 126 PHE CB C 36.278 0.400 1 1067 126 126 PHE N N 118.510 0.400 1 1068 127 127 LYS H H 7.911 0.020 1 1069 127 127 LYS HA H 4.247 0.020 1 1070 127 127 LYS HB2 H 2.035 0.020 2 1071 127 127 LYS HB3 H 2.035 0.020 2 1072 127 127 LYS HG2 H 1.683 0.020 2 1073 127 127 LYS HG3 H 1.683 0.020 2 1074 127 127 LYS C C 175.675 0.400 1 1075 127 127 LYS CA C 55.804 0.400 1 1076 127 127 LYS CB C 29.692 0.400 1 1077 127 127 LYS CG C 22.688 0.400 1 1078 127 127 LYS N N 118.114 0.400 1 1079 128 128 LEU H H 7.883 0.020 1 1080 128 128 LEU HA H 4.159 0.020 1 1081 128 128 LEU HB2 H 1.912 0.020 2 1082 128 128 LEU HB3 H 1.890 0.020 2 1083 128 128 LEU HG H 1.678 0.020 1 1084 128 128 LEU HD1 H 1.030 0.020 2 1085 128 128 LEU HD2 H 1.030 0.020 2 1086 128 128 LEU C C 175.651 0.400 1 1087 128 128 LEU CA C 54.283 0.400 1 1088 128 128 LEU CB C 39.571 0.400 1 1089 128 128 LEU CG C 24.742 0.400 1 1090 128 128 LEU CD1 C 22.571 0.400 2 1091 128 128 LEU N N 119.795 0.400 1 1092 129 129 ALA H H 8.026 0.020 1 1093 129 129 ALA HA H 4.009 0.020 1 1094 129 129 ALA HB H 1.479 0.020 1 1095 129 129 ALA C C 175.197 0.400 1 1096 129 129 ALA CA C 51.629 0.400 1 1097 129 129 ALA CB C 15.993 0.400 1 1098 129 129 ALA N N 120.557 0.400 1 1099 130 130 LYS H H 7.738 0.020 1 1100 130 130 LYS HA H 4.236 0.020 1 1101 130 130 LYS C C 174.166 0.400 1 1102 130 130 LYS CA C 54.954 0.400 1 1103 130 130 LYS CB C 29.808 0.400 1 1104 130 130 LYS N N 114.250 0.400 1 1105 131 131 SER H H 7.808 0.020 1 1106 131 131 SER HA H 4.614 0.020 1 1107 131 131 SER HB2 H 4.052 0.020 2 1108 131 131 SER HB3 H 4.052 0.020 2 1109 131 131 SER C C 171.395 0.400 1 1110 131 131 SER CA C 56.036 0.400 1 1111 131 131 SER CB C 61.514 0.400 1 1112 131 131 SER N N 113.199 0.400 1 1113 132 132 TRP H H 8.073 0.020 1 1114 132 132 TRP HA H 5.186 0.020 1 1115 132 132 TRP HB2 H 3.631 0.020 2 1116 132 132 TRP HB3 H 3.415 0.020 2 1117 132 132 TRP HD1 H 7.480 0.020 1 1118 132 132 TRP HE1 H 10.283 0.020 1 1119 132 132 TRP CA C 53.098 0.400 1 1120 132 132 TRP N N 124.429 0.400 1 1121 132 132 TRP NE1 N 128.998 0.400 1 1122 133 133 PRO HA H 4.492 0.020 1 1123 133 133 PRO HB2 H 2.460 0.020 2 1124 133 133 PRO HB3 H 2.460 0.020 2 1125 133 133 PRO HG2 H 2.118 0.020 2 1126 133 133 PRO HG3 H 2.248 0.020 2 1127 133 133 PRO HD2 H 4.330 0.020 2 1128 133 133 PRO HD3 H 3.957 0.020 2 1129 133 133 PRO C C 175.448 0.400 1 1130 133 133 PRO CA C 62.798 0.400 1 1131 133 133 PRO CB C 29.012 0.400 1 1132 133 133 PRO CG C 25.349 0.400 1 1133 133 133 PRO CD C 48.331 0.400 1 1134 134 134 THR H H 7.392 0.020 1 1135 134 134 THR HA H 4.042 0.020 1 1136 134 134 THR HB H 3.473 0.020 1 1137 134 134 THR HG2 H 1.217 0.020 1 1138 134 134 THR C C 172.813 0.400 1 1139 134 134 THR CA C 62.632 0.400 1 1140 134 134 THR CB C 66.189 0.400 1 1141 134 134 THR CG2 C 19.685 0.400 1 1142 134 134 THR N N 112.444 0.400 1 1143 135 135 LEU H H 7.547 0.020 1 1144 135 135 LEU HA H 4.093 0.020 1 1145 135 135 LEU HD1 H 1.070 0.020 2 1146 135 135 LEU HD2 H 1.099 0.020 2 1147 135 135 LEU C C 175.508 0.400 1 1148 135 135 LEU CA C 55.345 0.400 1 1149 135 135 LEU CB C 38.937 0.400 1 1150 135 135 LEU CD1 C 22.291 0.400 2 1151 135 135 LEU CD2 C 21.960 0.400 2 1152 135 135 LEU N N 120.718 0.400 1 1153 136 136 ASN H H 8.151 0.020 1 1154 136 136 ASN HA H 4.387 0.020 1 1155 136 136 ASN HB2 H 2.794 0.020 2 1156 136 136 ASN HB3 H 2.794 0.020 2 1157 136 136 ASN HD21 H 7.485 0.020 2 1158 136 136 ASN HD22 H 6.915 0.020 2 1159 136 136 ASN C C 174.778 0.400 1 1160 136 136 ASN CA C 54.180 0.400 1 1161 136 136 ASN CB C 36.248 0.400 1 1162 136 136 ASN N N 116.300 0.400 1 1163 136 136 ASN ND2 N 111.473 0.400 1 1164 137 137 MET H H 7.935 0.020 1 1165 137 137 MET HA H 4.255 0.020 1 1166 137 137 MET HB2 H 2.305 0.020 2 1167 137 137 MET HB3 H 2.305 0.020 2 1168 137 137 MET HG2 H 2.657 0.020 2 1169 137 137 MET HG3 H 2.657 0.020 2 1170 137 137 MET C C 175.272 0.400 1 1171 137 137 MET CA C 55.830 0.400 1 1172 137 137 MET CB C 29.558 0.400 1 1173 137 137 MET CG C 29.553 0.400 1 1174 137 137 MET N N 118.229 0.400 1 1175 138 138 LEU H H 7.874 0.020 1 1176 138 138 LEU HA H 4.148 0.020 1 1177 138 138 LEU HB2 H 1.961 0.020 2 1178 138 138 LEU HB3 H 1.961 0.020 2 1179 138 138 LEU HG H 1.779 0.020 1 1180 138 138 LEU HD1 H 0.985 0.020 2 1181 138 138 LEU HD2 H 1.066 0.020 2 1182 138 138 LEU C C 175.798 0.400 1 1183 138 138 LEU CA C 55.546 0.400 1 1184 138 138 LEU CB C 39.250 0.400 1 1185 138 138 LEU CG C 26.716 0.400 1 1186 138 138 LEU CD1 C 21.462 0.400 2 1187 138 138 LEU CD2 C 22.548 0.400 2 1188 138 138 LEU N N 119.197 0.400 1 1189 139 139 ILE H H 8.234 0.020 1 1190 139 139 ILE HA H 3.720 0.020 1 1191 139 139 ILE HB H 2.123 0.020 1 1192 139 139 ILE HG12 H 1.842 0.020 2 1193 139 139 ILE HG13 H 1.842 0.020 2 1194 139 139 ILE HG2 H 1.039 0.020 1 1195 139 139 ILE HD1 H 0.985 0.020 1 1196 139 139 ILE C C 175.605 0.400 1 1197 139 139 ILE CA C 62.556 0.400 1 1198 139 139 ILE CB C 35.002 0.400 1 1199 139 139 ILE CG1 C 24.895 0.400 1 1200 139 139 ILE CG2 C 15.088 0.400 1 1201 139 139 ILE CD1 C 10.434 0.400 1 1202 139 139 ILE N N 117.809 0.400 1 1203 140 140 LYS H H 7.824 0.020 1 1204 140 140 LYS HA H 4.149 0.020 1 1205 140 140 LYS HB2 H 2.097 0.020 2 1206 140 140 LYS HB3 H 2.097 0.020 2 1207 140 140 LYS HG2 H 1.572 0.020 2 1208 140 140 LYS HG3 H 1.572 0.020 2 1209 140 140 LYS HD2 H 1.709 0.020 2 1210 140 140 LYS HD3 H 1.709 0.020 2 1211 140 140 LYS C C 176.496 0.400 1 1212 140 140 LYS CA C 56.912 0.400 1 1213 140 140 LYS CB C 29.437 0.400 1 1214 140 140 LYS N N 120.044 0.400 1 1215 141 141 ILE H H 8.083 0.020 1 1216 141 141 ILE HA H 3.976 0.020 1 1217 141 141 ILE HB H 2.118 0.020 1 1218 141 141 ILE HG12 H 1.924 0.020 2 1219 141 141 ILE HG13 H 1.924 0.020 2 1220 141 141 ILE HG2 H 1.040 0.020 1 1221 141 141 ILE HD1 H 0.968 0.020 1 1222 141 141 ILE C C 176.121 0.400 1 1223 141 141 ILE CA C 62.247 0.400 1 1224 141 141 ILE CB C 35.564 0.400 1 1225 141 141 ILE CG1 C 24.534 0.400 1 1226 141 141 ILE CD1 C 11.06 0.400 1 1227 141 141 ILE N N 118.820 0.400 1 1228 142 142 ILE H H 8.291 0.020 1 1229 142 142 ILE HA H 3.873 0.020 1 1230 142 142 ILE HB H 2.075 0.020 1 1231 142 142 ILE HG12 H 1.881 0.020 2 1232 142 142 ILE HG13 H 1.881 0.020 2 1233 142 142 ILE HG2 H 0.953 0.020 1 1234 142 142 ILE HD1 H 1.025 0.020 1 1235 142 142 ILE C C 175.852 0.400 1 1236 142 142 ILE CA C 62.170 0.400 1 1237 142 142 ILE CB C 35.189 0.400 1 1238 142 142 ILE CG1 C 24.604 0.400 1 1239 142 142 ILE CG2 C 20.741 0.400 1 1240 142 142 ILE CD1 C 15.25 0.400 1 1241 142 142 ILE N N 119.382 0.400 1 1242 143 143 GLY H H 8.543 0.020 1 1243 143 143 GLY HA2 H 4.052 0.020 2 1244 143 143 GLY HA3 H 4.052 0.020 2 1245 143 143 GLY C C 172.394 0.400 1 1246 143 143 GLY CA C 44.155 0.400 1 1247 143 143 GLY N N 107.283 0.400 1 1248 144 144 ASN H H 8.071 0.020 1 1249 144 144 ASN HA H 4.884 0.020 1 1250 144 144 ASN HB2 H 2.993 0.020 2 1251 144 144 ASN HB3 H 2.993 0.020 2 1252 144 144 ASN HD21 H 7.769 0.020 2 1253 144 144 ASN HD22 H 7.000 0.020 2 1254 144 144 ASN C C 173.962 0.400 1 1255 144 144 ASN CA C 51.500 0.400 1 1256 144 144 ASN CB C 36.565 0.400 1 1257 144 144 ASN N N 118.443 0.400 1 1258 144 144 ASN ND2 N 112.469 0.400 1 1259 145 145 SER H H 8.146 0.020 1 1260 145 145 SER HA H 4.452 0.020 1 1261 145 145 SER HB2 H 4.081 0.020 2 1262 145 145 SER HB3 H 4.081 0.020 2 1263 145 145 SER C C 173.006 0.400 1 1264 145 145 SER CA C 58.098 0.400 1 1265 145 145 SER CB C 61.260 0.400 1 1266 145 145 SER N N 115.909 0.400 1 1267 146 146 GLY H H 8.478 0.020 1 1268 146 146 GLY HA2 H 4.052 0.020 2 1269 146 146 GLY HA3 H 4.052 0.020 2 1270 146 146 GLY C C 171.953 0.400 1 1271 146 146 GLY CA C 43.536 0.400 1 1272 146 146 GLY N N 109.260 0.400 1 1273 147 147 SER H H 8.078 0.020 1 1274 147 147 SER HA H 4.441 0.020 1 1275 147 147 SER HB2 H 3.955 0.020 2 1276 147 147 SER HB3 H 3.955 0.020 2 1277 147 147 SER C C 172.329 0.400 1 1278 147 147 SER CA C 56.629 0.400 1 1279 147 147 SER CB C 61.072 0.400 1 1280 147 147 SER N N 114.720 0.400 1 1281 148 148 HIS H H 8.259 0.020 1 1282 148 148 HIS CB C 26.181 0.400 1 1283 148 148 HIS N N 118.777 0.400 1 stop_ save_