data_25805 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the cyclic nucleotide-binding homology domain of the hERG channel ; _BMRB_accession_number 25805 _BMRB_flat_file_name bmr25805.str _Entry_type original _Submission_date 2015-09-10 _Accession_date 2015-09-18 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Yan . . 2 Ng 'Hui Qi' . . 3 Li Qingxin . . 4 Kang CongBao . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 687 "13C chemical shifts" 508 "15N chemical shifts" 125 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-05-23 original BMRB . stop_ _Original_release_date 2016-05-23 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of the Cyclic Nucleotide-Binding Homology Domain of the hERG Channel and Its Insight into Type 2 Long QT Syndrom ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27025590 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Yan . . 2 Ng 'Hui Qi' . . 3 Li Qingxin . . 4 Kang CongBao . . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_volume 6 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 23712 _Page_last 23712 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'cyclic nucleotide-binding homology domain of hERG channel' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'cyclic nucleotide-binding homology domain of hERG channel' $the_cyclic_nucleotide-binding_homology_domain_of_the_hERG_channel stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_the_cyclic_nucleotide-binding_homology_domain_of_the_hERG_channel _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common the_cyclic_nucleotide-binding_homology_domain_of_the_hERG_channel _Molecular_mass 14750.103 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 154 _Mol_residue_sequence ; MHHHHHHSSGVDLGTENLYF QSMRSLLQHCKPFRGATKGC LRALAMKFKTTHAPPGDTLV HAGDLLTALYFISRGSIEIL RGDVVVAILGKNDIFGEPLN LYARPGKSNGDVRALTYCDL HKIHRDDLLEVLDMYPEFSD HFWSSLEITFNLRD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 HIS 3 3 HIS 4 4 HIS 5 5 HIS 6 6 HIS 7 7 HIS 8 8 SER 9 9 SER 10 10 GLY 11 11 VAL 12 12 ASP 13 13 LEU 14 14 GLY 15 15 THR 16 16 GLU 17 17 ASN 18 18 LEU 19 19 TYR 20 20 PHE 21 21 GLN 22 22 SER 23 23 MET 24 24 ARG 25 25 SER 26 26 LEU 27 27 LEU 28 28 GLN 29 29 HIS 30 30 CYS 31 31 LYS 32 32 PRO 33 33 PHE 34 34 ARG 35 35 GLY 36 36 ALA 37 37 THR 38 38 LYS 39 39 GLY 40 40 CYS 41 41 LEU 42 42 ARG 43 43 ALA 44 44 LEU 45 45 ALA 46 46 MET 47 47 LYS 48 48 PHE 49 49 LYS 50 50 THR 51 51 THR 52 52 HIS 53 53 ALA 54 54 PRO 55 55 PRO 56 56 GLY 57 57 ASP 58 58 THR 59 59 LEU 60 60 VAL 61 61 HIS 62 62 ALA 63 63 GLY 64 64 ASP 65 65 LEU 66 66 LEU 67 67 THR 68 68 ALA 69 69 LEU 70 70 TYR 71 71 PHE 72 72 ILE 73 73 SER 74 74 ARG 75 75 GLY 76 76 SER 77 77 ILE 78 78 GLU 79 79 ILE 80 80 LEU 81 81 ARG 82 82 GLY 83 83 ASP 84 84 VAL 85 85 VAL 86 86 VAL 87 87 ALA 88 88 ILE 89 89 LEU 90 90 GLY 91 91 LYS 92 92 ASN 93 93 ASP 94 94 ILE 95 95 PHE 96 96 GLY 97 97 GLU 98 98 PRO 99 99 LEU 100 100 ASN 101 101 LEU 102 102 TYR 103 103 ALA 104 104 ARG 105 105 PRO 106 106 GLY 107 107 LYS 108 108 SER 109 109 ASN 110 110 GLY 111 111 ASP 112 112 VAL 113 113 ARG 114 114 ALA 115 115 LEU 116 116 THR 117 117 TYR 118 118 CYS 119 119 ASP 120 120 LEU 121 121 HIS 122 122 LYS 123 123 ILE 124 124 HIS 125 125 ARG 126 126 ASP 127 127 ASP 128 128 LEU 129 129 LEU 130 130 GLU 131 131 VAL 132 132 LEU 133 133 ASP 134 134 MET 135 135 TYR 136 136 PRO 137 137 GLU 138 138 PHE 139 139 SER 140 140 ASP 141 141 HIS 142 142 PHE 143 143 TRP 144 144 SER 145 145 SER 146 146 LEU 147 147 GLU 148 148 ILE 149 149 THR 150 150 PHE 151 151 ASN 152 152 LEU 153 153 ARG 154 154 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $the_cyclic_nucleotide-binding_homology_domain_of_the_hERG_channel 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 $the_cyclic_nucleotide-binding_homology_domain_of_the_hERG_channel 'recombinant technology' . Escherichia coli Roestta PNIC28-Bsa4 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $the_cyclic_nucleotide-binding_homology_domain_of_the_hERG_channel 0.4 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'chemical shift assignment' processing 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 170 . mM pH 7.2 . pH pressure 1 . atm temperature 298 . 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 DSS C 13 'methyl protons' ppm 0 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HNCA' '3D HNCO' '3D 1H-15N NOESY' '2D 1H-13C HSQC' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'cyclic nucleotide-binding homology domain of hERG channel' _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 24 24 ARG H H 8.067 0.020 1 2 24 24 ARG HA H 3.542 0.020 1 3 24 24 ARG HB2 H 1.654 0.020 2 4 24 24 ARG HB3 H 1.546 0.020 2 5 24 24 ARG HG2 H 1.351 0.020 2 6 24 24 ARG HG3 H 1.480 0.020 2 7 24 24 ARG HD2 H 2.955 0.020 2 8 24 24 ARG HD3 H 2.955 0.020 2 9 24 24 ARG C C 178.202 0.400 1 10 24 24 ARG CA C 60.603 0.400 1 11 24 24 ARG CB C 30.020 0.400 1 12 24 24 ARG CG C 27.839 0.400 1 13 24 24 ARG CD C 44.292 0.400 1 14 24 24 ARG N N 118.989 0.400 1 15 25 25 SER H H 7.702 0.020 1 16 25 25 SER HA H 4.180 0.020 1 17 25 25 SER HB2 H 3.920 0.020 2 18 25 25 SER HB3 H 3.920 0.020 2 19 25 25 SER C C 176.898 0.400 1 20 25 25 SER CA C 61.511 0.400 1 21 25 25 SER CB C 63.264 0.400 1 22 25 25 SER N N 112.977 0.400 1 23 26 26 LEU H H 7.594 0.020 1 24 26 26 LEU HA H 4.040 0.020 1 25 26 26 LEU HB2 H 1.438 0.020 2 26 26 26 LEU HB3 H 1.212 0.020 2 27 26 26 LEU C C 179.932 0.400 1 28 26 26 LEU CA C 57.958 0.400 1 29 26 26 LEU CB C 42.447 0.400 1 30 26 26 LEU N N 121.751 0.400 1 31 27 27 LEU H H 7.811 0.020 1 32 27 27 LEU HA H 3.580 0.020 1 33 27 27 LEU HB2 H 0.935 0.020 2 34 27 27 LEU HB3 H 0.935 0.020 2 35 27 27 LEU HG H 0.897 0.020 1 36 27 27 LEU HD1 H -0.251 0.020 2 37 27 27 LEU HD2 H 0.290 0.020 2 38 27 27 LEU C C 178.605 0.400 1 39 27 27 LEU CA C 57.596 0.400 1 40 27 27 LEU CB C 41.665 0.400 1 41 27 27 LEU CG C 25.103 0.400 1 42 27 27 LEU CD1 C 22.374 0.400 1 43 27 27 LEU CD2 C 26.030 0.400 1 44 27 27 LEU N N 117.035 0.400 1 45 28 28 GLN H H 7.520 0.020 1 46 28 28 GLN HA H 3.855 0.020 1 47 28 28 GLN HB2 H 1.947 0.020 2 48 28 28 GLN HB3 H 1.781 0.020 2 49 28 28 GLN HG2 H 2.141 0.020 2 50 28 28 GLN HG3 H 2.096 0.020 2 51 28 28 GLN C C 176.945 0.400 1 52 28 28 GLN CA C 58.053 0.400 1 53 28 28 GLN CB C 29.182 0.400 1 54 28 28 GLN CG C 34.375 0.400 1 55 28 28 GLN N N 114.141 0.400 1 56 29 29 HIS H H 7.306 0.020 1 57 29 29 HIS HA H 4.713 0.020 1 58 29 29 HIS HB2 H 3.386 0.020 2 59 29 29 HIS HB3 H 2.992 0.020 2 60 29 29 HIS C C 175.073 0.400 1 61 29 29 HIS CA C 56.487 0.400 1 62 29 29 HIS CB C 31.719 0.400 1 63 29 29 HIS N N 114.104 0.400 1 64 30 30 CYS H H 7.829 0.020 1 65 30 30 CYS HA H 4.628 0.020 1 66 30 30 CYS HB2 H 2.920 0.020 2 67 30 30 CYS HB3 H 2.887 0.020 2 68 30 30 CYS CA C 59.497 0.400 1 69 30 30 CYS CB C 27.678 0.400 1 70 30 30 CYS N N 122.060 0.400 1 71 32 32 PRO HA H 4.260 0.020 1 72 32 32 PRO HB2 H 1.019 0.020 2 73 32 32 PRO HB3 H 1.019 0.020 2 74 32 32 PRO HD2 H 4.029 0.020 2 75 32 32 PRO HD3 H 3.649 0.020 2 76 32 32 PRO C C 176.258 0.400 1 77 32 32 PRO CA C 66.005 0.400 1 78 32 32 PRO CB C 31.226 0.400 1 79 32 32 PRO CD C 50.396 0.400 1 80 33 33 PHE H H 7.606 0.020 1 81 33 33 PHE HA H 4.775 0.020 1 82 33 33 PHE HB2 H 3.000 0.020 2 83 33 33 PHE HB3 H 3.154 0.020 2 84 33 33 PHE HD1 H 7.071 0.020 3 85 33 33 PHE HD2 H 7.071 0.020 3 86 33 33 PHE C C 176.637 0.400 1 87 33 33 PHE CA C 58.741 0.400 1 88 33 33 PHE CB C 39.571 0.400 1 89 33 33 PHE N N 111.750 0.400 1 90 34 34 ARG H H 7.744 0.020 1 91 34 34 ARG HA H 4.072 0.020 1 92 34 34 ARG HB2 H 1.885 0.020 2 93 34 34 ARG HB3 H 1.843 0.020 2 94 34 34 ARG HG2 H 1.732 0.020 2 95 34 34 ARG HG3 H 1.732 0.020 2 96 34 34 ARG HD2 H 3.218 0.020 2 97 34 34 ARG HD3 H 3.196 0.020 2 98 34 34 ARG C C 177.491 0.400 1 99 34 34 ARG CA C 58.962 0.400 1 100 34 34 ARG CB C 30.571 0.400 1 101 34 34 ARG CG C 27.539 0.400 1 102 34 34 ARG CD C 44.066 0.400 1 103 34 34 ARG N N 120.268 0.400 1 104 35 35 GLY H H 8.423 0.020 1 105 35 35 GLY HA2 H 3.854 0.020 2 106 35 35 GLY HA3 H 3.718 0.020 2 107 35 35 GLY C C 174.670 0.400 1 108 35 35 GLY CA C 45.153 0.400 1 109 35 35 GLY N N 108.192 0.400 1 110 36 36 ALA H H 7.391 0.020 1 111 36 36 ALA HA H 3.779 0.020 1 112 36 36 ALA HB H 0.785 0.020 1 113 36 36 ALA C C 177.870 0.400 1 114 36 36 ALA CA C 52.208 0.400 1 115 36 36 ALA CB C 19.354 0.400 1 116 36 36 ALA N N 123.790 0.400 1 117 37 37 THR H H 8.019 0.020 1 118 37 37 THR HA H 4.270 0.020 1 119 37 37 THR HB H 4.525 0.020 1 120 37 37 THR HG2 H 1.341 0.020 1 121 37 37 THR C C 175.515 0.400 1 122 37 37 THR CA C 60.948 0.400 1 123 37 37 THR CB C 71.511 0.400 1 124 37 37 THR CG2 C 22.679 0.400 1 125 37 37 THR N N 111.901 0.400 1 126 38 38 LYS H H 8.819 0.020 1 127 38 38 LYS HA H 4.746 0.020 1 128 38 38 LYS HB2 H 1.890 0.020 2 129 38 38 LYS HB3 H 1.709 0.020 2 130 38 38 LYS HG2 H 1.564 0.020 2 131 38 38 LYS HG3 H 1.564 0.020 2 132 38 38 LYS HD2 H 1.664 0.020 2 133 38 38 LYS HD3 H 1.664 0.020 2 134 38 38 LYS HE2 H 3.232 0.020 2 135 38 38 LYS HE3 H 3.232 0.020 2 136 38 38 LYS C C 175.902 0.400 1 137 38 38 LYS CA C 53.103 0.400 1 138 38 38 LYS CB C 31.336 0.400 1 139 38 38 LYS CG C 25.988 0.400 1 140 38 38 LYS CD C 27.048 0.400 1 141 38 38 LYS CE C 43.277 0.400 1 142 38 38 LYS N N 120.923 0.400 1 143 39 39 GLY CA C 47.243 0.400 1 144 40 40 CYS H H 7.009 0.020 1 145 40 40 CYS HA H 3.204 0.020 1 146 40 40 CYS HB2 H 2.259 0.020 2 147 40 40 CYS C C 175.973 0.400 1 148 40 40 CYS CA C 61.629 0.400 1 149 40 40 CYS CB C 26.661 0.400 1 150 40 40 CYS N N 123.617 0.400 1 151 41 41 LEU H H 7.992 0.020 1 152 41 41 LEU HA H 3.665 0.020 1 153 41 41 LEU HB2 H 1.542 0.020 2 154 41 41 LEU HB3 H 1.285 0.020 2 155 41 41 LEU HG H 1.407 0.020 1 156 41 41 LEU HD1 H 0.707 0.020 2 157 41 41 LEU HD2 H 0.674 0.020 2 158 41 41 LEU C C 179.103 0.400 1 159 41 41 LEU CA C 58.292 0.400 1 160 41 41 LEU CB C 42.068 0.400 1 161 41 41 LEU CG C 26.920 0.400 1 162 41 41 LEU CD1 C 24.972 0.400 1 163 41 41 LEU CD2 C 24.029 0.400 1 164 41 41 LEU N N 117.824 0.400 1 165 42 42 ARG H H 7.932 0.020 1 166 42 42 ARG HA H 3.792 0.020 1 167 42 42 ARG HB2 H 1.827 0.020 2 168 42 42 ARG HB3 H 1.827 0.020 2 169 42 42 ARG HG2 H 1.566 0.020 2 170 42 42 ARG HG3 H 1.433 0.020 2 171 42 42 ARG HD2 H 3.082 0.020 2 172 42 42 ARG HD3 H 3.082 0.020 2 173 42 42 ARG C C 177.917 0.400 1 174 42 42 ARG CA C 60.014 0.400 1 175 42 42 ARG CB C 30.344 0.400 1 176 42 42 ARG CG C 28.155 0.400 1 177 42 42 ARG CD C 43.857 0.400 1 178 42 42 ARG N N 117.992 0.400 1 179 43 43 ALA H H 7.576 0.020 1 180 43 43 ALA HA H 4.073 0.020 1 181 43 43 ALA HB H 1.581 0.020 1 182 43 43 ALA C C 181.307 0.400 1 183 43 43 ALA CA C 55.324 0.400 1 184 43 43 ALA CB C 19.020 0.400 1 185 43 43 ALA N N 120.834 0.400 1 186 44 44 LEU H H 8.411 0.020 1 187 44 44 LEU HA H 3.836 0.020 1 188 44 44 LEU HB2 H 1.866 0.020 2 189 44 44 LEU HB3 H 1.866 0.020 2 190 44 44 LEU HG H 1.790 0.020 1 191 44 44 LEU HD1 H 0.598 0.020 2 192 44 44 LEU HD2 H 0.663 0.020 2 193 44 44 LEU C C 179.648 0.400 1 194 44 44 LEU CA C 58.203 0.400 1 195 44 44 LEU CB C 43.500 0.400 1 196 44 44 LEU CG C 28.064 0.400 1 197 44 44 LEU CD1 C 27.238 0.400 1 198 44 44 LEU CD2 C 23.994 0.400 1 199 44 44 LEU N N 116.783 0.400 1 200 45 45 ALA H H 8.532 0.020 1 201 45 45 ALA HA H 3.864 0.020 1 202 45 45 ALA HB H 1.352 0.020 1 203 45 45 ALA C C 179.316 0.400 1 204 45 45 ALA CA C 55.788 0.400 1 205 45 45 ALA CB C 18.757 0.400 1 206 45 45 ALA N N 120.637 0.400 1 207 46 46 MET H H 7.476 0.020 1 208 46 46 MET HA H 4.265 0.020 1 209 46 46 MET HB2 H 2.097 0.020 2 210 46 46 MET HB3 H 2.097 0.020 2 211 46 46 MET HG2 H 2.690 0.020 2 212 46 46 MET HG3 H 2.407 0.020 2 213 46 46 MET HE H 1.984 0.020 1 214 46 46 MET C C 177.965 0.400 1 215 46 46 MET CA C 57.356 0.400 1 216 46 46 MET CB C 33.163 0.400 1 217 46 46 MET CG C 32.572 0.400 1 218 46 46 MET CE C 17.067 0.400 1 219 46 46 MET N N 111.791 0.400 1 220 47 47 LYS H H 7.664 0.020 1 221 47 47 LYS HA H 4.446 0.020 1 222 47 47 LYS HB2 H 1.784 0.020 2 223 47 47 LYS HB3 H 1.961 0.020 2 224 47 47 LYS HG2 H 1.231 0.020 2 225 47 47 LYS HG3 H 1.231 0.020 2 226 47 47 LYS HD2 H 1.321 0.020 2 227 47 47 LYS HD3 H 1.321 0.020 2 228 47 47 LYS HE2 H 2.959 0.020 2 229 47 47 LYS HE3 H 2.959 0.020 2 230 47 47 LYS C C 177.704 0.400 1 231 47 47 LYS CA C 54.914 0.400 1 232 47 47 LYS CB C 34.170 0.400 1 233 47 47 LYS CG C 24.775 0.400 1 234 47 47 LYS CD C 28.459 0.400 1 235 47 47 LYS CE C 42.465 0.400 1 236 47 47 LYS N N 115.813 0.400 1 237 48 48 PHE H H 7.665 0.020 1 238 48 48 PHE HA H 4.487 0.020 1 239 48 48 PHE HB2 H 2.973 0.020 2 240 48 48 PHE HB3 H 3.029 0.020 2 241 48 48 PHE HD1 H 7.135 0.020 3 242 48 48 PHE HD2 H 7.135 0.020 3 243 48 48 PHE C C 177.064 0.400 1 244 48 48 PHE CA C 60.403 0.400 1 245 48 48 PHE CB C 41.930 0.400 1 246 48 48 PHE N N 121.042 0.400 1 247 49 49 LYS H H 9.383 0.020 1 248 49 49 LYS HA H 4.896 0.020 1 249 49 49 LYS HB2 H 1.944 0.020 2 250 49 49 LYS HB3 H 1.944 0.020 2 251 49 49 LYS HD2 H 1.702 0.020 2 252 49 49 LYS HD3 H 1.702 0.020 2 253 49 49 LYS C C 176.993 0.400 1 254 49 49 LYS CA C 54.754 0.400 1 255 49 49 LYS CB C 35.133 0.400 1 256 49 49 LYS CD C 29.256 0.400 1 257 49 49 LYS N N 121.377 0.400 1 258 50 50 THR H H 8.870 0.020 1 259 50 50 THR HA H 5.262 0.020 1 260 50 50 THR HB H 3.934 0.020 1 261 50 50 THR HG2 H 0.907 0.020 1 262 50 50 THR C C 174.504 0.400 1 263 50 50 THR CA C 62.763 0.400 1 264 50 50 THR CB C 71.042 0.400 1 265 50 50 THR CG2 C 21.829 0.400 1 266 50 50 THR N N 121.030 0.400 1 267 51 51 THR H H 9.173 0.020 1 268 51 51 THR HA H 4.487 0.020 1 269 51 51 THR HB H 3.887 0.020 1 270 51 51 THR HG2 H 1.170 0.020 1 271 51 51 THR C C 172.038 0.400 1 272 51 51 THR CA C 61.412 0.400 1 273 51 51 THR CB C 72.292 0.400 1 274 51 51 THR CG2 C 21.515 0.400 1 275 51 51 THR N N 123.161 0.400 1 276 52 52 HIS H H 8.702 0.020 1 277 52 52 HIS HA H 5.564 0.020 1 278 52 52 HIS HB2 H 3.124 0.020 2 279 52 52 HIS HB3 H 3.256 0.020 2 280 52 52 HIS C C 174.551 0.400 1 281 52 52 HIS CA C 54.193 0.400 1 282 52 52 HIS CB C 30.333 0.400 1 283 52 52 HIS N N 124.723 0.400 1 284 53 53 ALA H H 8.964 0.020 1 285 53 53 ALA HA H 4.996 0.020 1 286 53 53 ALA HB H 1.258 0.020 1 287 53 53 ALA C C 173.650 0.400 1 288 53 53 ALA CA C 49.140 0.400 1 289 53 53 ALA CB C 22.526 0.400 1 290 53 53 ALA N N 128.544 0.400 1 291 55 55 PRO HA H 3.412 0.020 1 292 55 55 PRO HB2 H 1.708 0.020 2 293 55 55 PRO HB3 H 1.681 0.020 2 294 55 55 PRO HG2 H 1.491 0.020 2 295 55 55 PRO HG3 H 1.491 0.020 2 296 55 55 PRO C C 178.486 0.400 1 297 55 55 PRO CA C 63.677 0.400 1 298 55 55 PRO CB C 31.552 0.400 1 299 56 56 GLY H H 8.738 0.020 1 300 56 56 GLY HA2 H 3.522 0.020 2 301 56 56 GLY HA3 H 4.285 0.020 2 302 56 56 GLY C C 174.551 0.400 1 303 56 56 GLY CA C 45.281 0.400 1 304 56 56 GLY N N 112.044 0.400 1 305 57 57 ASP H H 7.585 0.020 1 306 57 57 ASP HA H 4.550 0.020 1 307 57 57 ASP HB2 H 2.417 0.020 2 308 57 57 ASP HB3 H 2.701 0.020 2 309 57 57 ASP C C 176.708 0.400 1 310 57 57 ASP CA C 55.323 0.400 1 311 57 57 ASP CB C 42.343 0.400 1 312 57 57 ASP N N 121.958 0.400 1 313 58 58 THR H H 8.570 0.020 1 314 58 58 THR HA H 4.414 0.020 1 315 58 58 THR HB H 3.782 0.020 1 316 58 58 THR HG2 H 0.391 0.020 1 317 58 58 THR C C 174.338 0.400 1 318 58 58 THR CA C 63.557 0.400 1 319 58 58 THR CB C 68.587 0.400 1 320 58 58 THR CG2 C 21.259 0.400 1 321 58 58 THR N N 120.496 0.400 1 322 59 59 LEU H H 8.870 0.020 1 323 59 59 LEU HA H 4.228 0.020 1 324 59 59 LEU HB2 H 1.496 0.020 2 325 59 59 LEU HB3 H 1.496 0.020 2 326 59 59 LEU HG H 1.617 0.020 1 327 59 59 LEU HD1 H 0.769 0.020 2 328 59 59 LEU HD2 H 0.775 0.020 2 329 59 59 LEU C C 177.088 0.400 1 330 59 59 LEU CA C 56.348 0.400 1 331 59 59 LEU CB C 43.106 0.400 1 332 59 59 LEU CG C 28.011 0.400 1 333 59 59 LEU CD1 C 25.244 0.400 1 334 59 59 LEU CD2 C 26.630 0.400 1 335 59 59 LEU N N 128.347 0.400 1 336 60 60 VAL H H 7.113 0.020 1 337 60 60 VAL HA H 4.153 0.020 1 338 60 60 VAL HB H 1.645 0.020 1 339 60 60 VAL HG1 H 1.134 0.020 2 340 60 60 VAL HG2 H 0.761 0.020 2 341 60 60 VAL C C 174.290 0.400 1 342 60 60 VAL CA C 61.917 0.400 1 343 60 60 VAL CB C 37.401 0.400 1 344 60 60 VAL CG1 C 21.901 0.400 1 345 60 60 VAL CG2 C 20.826 0.400 1 346 60 60 VAL N N 117.342 0.400 1 347 61 61 HIS H H 8.947 0.020 1 348 61 61 HIS HA H 5.022 0.020 1 349 61 61 HIS HB2 H 3.137 0.020 2 350 61 61 HIS HB3 H 3.137 0.020 2 351 61 61 HIS C C 175.780 0.400 1 352 61 61 HIS CA C 54.748 0.400 1 353 61 61 HIS CB C 30.520 0.400 1 354 61 61 HIS N N 125.516 0.400 1 355 62 62 ALA H H 9.185 0.020 1 356 62 62 ALA HA H 3.703 0.020 1 357 62 62 ALA HB H 1.195 0.020 1 358 62 62 ALA C C 179.340 0.400 1 359 62 62 ALA CA C 54.281 0.400 1 360 62 62 ALA CB C 17.624 0.400 1 361 62 62 ALA N N 126.827 0.400 1 362 63 63 GLY H H 9.598 0.020 1 363 63 63 GLY HA2 H 4.490 0.020 2 364 63 63 GLY HA3 H 3.532 0.020 2 365 63 63 GLY C C 174.504 0.400 1 366 63 63 GLY CA C 45.601 0.400 1 367 63 63 GLY N N 112.973 0.400 1 368 64 64 ASP H H 8.396 0.020 1 369 64 64 ASP HA H 4.587 0.020 1 370 64 64 ASP HB2 H 3.026 0.020 2 371 64 64 ASP HB3 H 2.758 0.020 2 372 64 64 ASP C C 174.693 0.400 1 373 64 64 ASP CA C 54.787 0.400 1 374 64 64 ASP CB C 41.487 0.400 1 375 64 64 ASP N N 121.715 0.400 1 376 65 65 LEU H H 8.588 0.020 1 377 65 65 LEU HA H 4.444 0.020 1 378 65 65 LEU HB2 H 1.665 0.020 2 379 65 65 LEU HB3 H 1.469 0.020 2 380 65 65 LEU HG H 1.626 0.020 1 381 65 65 LEU HD1 H 0.835 0.020 2 382 65 65 LEU HD2 H 0.836 0.020 2 383 65 65 LEU C C 178.842 0.400 1 384 65 65 LEU CA C 55.971 0.400 1 385 65 65 LEU CB C 43.132 0.400 1 386 65 65 LEU CG C 27.394 0.400 1 387 65 65 LEU CD1 C 25.036 0.400 1 388 65 65 LEU CD2 C 23.509 0.400 1 389 65 65 LEU N N 121.376 0.400 1 390 66 66 LEU H H 8.959 0.020 1 391 66 66 LEU HA H 4.706 0.020 1 392 66 66 LEU HB2 H 1.801 0.020 2 393 66 66 LEU HB3 H 1.524 0.020 2 394 66 66 LEU HG H 1.667 0.020 1 395 66 66 LEU HD1 H 0.697 0.020 2 396 66 66 LEU HD2 H 0.981 0.020 2 397 66 66 LEU C C 177.135 0.400 1 398 66 66 LEU CA C 53.994 0.400 1 399 66 66 LEU CB C 40.976 0.400 1 400 66 66 LEU CD1 C 26.665 0.400 1 401 66 66 LEU CD2 C 24.964 0.400 1 402 66 66 LEU N N 127.251 0.400 1 403 67 67 THR H H 8.184 0.020 1 404 67 67 THR HA H 4.123 0.020 1 405 67 67 THR HB H 4.274 0.020 1 406 67 67 THR HG2 H 1.196 0.020 1 407 67 67 THR C C 173.935 0.400 1 408 67 67 THR CA C 62.057 0.400 1 409 67 67 THR CB C 70.091 0.400 1 410 67 67 THR CG2 C 22.496 0.400 1 411 67 67 THR N N 112.895 0.400 1 412 68 68 ALA H H 7.655 0.020 1 413 68 68 ALA HA H 4.978 0.020 1 414 68 68 ALA HB H 0.746 0.020 1 415 68 68 ALA C C 175.405 0.400 1 416 68 68 ALA CA C 51.152 0.400 1 417 68 68 ALA CB C 23.325 0.400 1 418 68 68 ALA N N 121.319 0.400 1 419 69 69 LEU H H 8.174 0.020 1 420 69 69 LEU HA H 4.793 0.020 1 421 69 69 LEU HB2 H 1.670 0.020 2 422 69 69 LEU HB3 H 1.670 0.020 2 423 69 69 LEU HG H 1.661 0.020 1 424 69 69 LEU HD1 H 1.043 0.020 2 425 69 69 LEU HD2 H 0.993 0.020 2 426 69 69 LEU C C 175.215 0.400 1 427 69 69 LEU CA C 54.712 0.400 1 428 69 69 LEU CB C 45.962 0.400 1 429 69 69 LEU CG C 28.081 0.400 1 430 69 69 LEU CD1 C 26.127 0.400 1 431 69 69 LEU CD2 C 26.578 0.400 1 432 69 69 LEU N N 121.056 0.400 1 433 70 70 TYR H H 8.065 0.020 1 434 70 70 TYR HA H 5.128 0.020 1 435 70 70 TYR HB2 H 3.204 0.020 2 436 70 70 TYR HB3 H 3.204 0.020 2 437 70 70 TYR HD1 H 6.698 0.020 3 438 70 70 TYR HD2 H 6.698 0.020 3 439 70 70 TYR C C 174.907 0.400 1 440 70 70 TYR CA C 57.621 0.400 1 441 70 70 TYR CB C 41.190 0.400 1 442 70 70 TYR N N 120.814 0.400 1 443 71 71 PHE H H 9.210 0.020 1 444 71 71 PHE HA H 5.175 0.020 1 445 71 71 PHE HB2 H 3.116 0.020 2 446 71 71 PHE HB3 H 3.116 0.020 2 447 71 71 PHE HD1 H 7.339 0.020 3 448 71 71 PHE HD2 H 7.339 0.020 3 449 71 71 PHE C C 175.397 0.400 1 450 71 71 PHE CA C 56.549 0.400 1 451 71 71 PHE CB C 42.070 0.400 1 452 71 71 PHE N N 117.611 0.400 1 453 72 72 ILE H H 8.663 0.020 1 454 72 72 ILE HA H 4.479 0.020 1 455 72 72 ILE HB H 2.085 0.020 1 456 72 72 ILE HG12 H 1.631 0.020 2 457 72 72 ILE HG13 H 1.631 0.020 2 458 72 72 ILE HG2 H 0.665 0.020 1 459 72 72 ILE HD1 H 0.843 0.020 1 460 72 72 ILE C C 177.502 0.400 1 461 72 72 ILE CA C 62.191 0.400 1 462 72 72 ILE CB C 39.516 0.400 1 463 72 72 ILE CG1 C 28.349 0.400 1 464 72 72 ILE CG2 C 18.626 0.400 1 465 72 72 ILE CD1 C 16.229 0.400 1 466 72 72 ILE N N 122.646 0.400 1 467 73 73 SER H H 8.891 0.020 1 468 73 73 SER HA H 4.909 0.020 1 469 73 73 SER HB2 H 3.965 0.020 2 470 73 73 SER HB3 H 3.753 0.020 2 471 73 73 SER C C 175.025 0.400 1 472 73 73 SER CA C 59.023 0.400 1 473 73 73 SER CB C 64.288 0.400 1 474 73 73 SER N N 121.880 0.400 1 475 74 74 ARG H H 7.811 0.020 1 476 74 74 ARG HA H 4.461 0.020 1 477 74 74 ARG HB2 H 2.071 0.020 2 478 74 74 ARG HB3 H 2.071 0.020 2 479 74 74 ARG HG2 H 1.738 0.020 2 480 74 74 ARG HG3 H 1.620 0.020 2 481 74 74 ARG HD2 H 3.225 0.020 2 482 74 74 ARG HD3 H 3.225 0.020 2 483 74 74 ARG C C 174.622 0.400 1 484 74 74 ARG CA C 57.104 0.400 1 485 74 74 ARG CB C 34.683 0.400 1 486 74 74 ARG CG C 27.852 0.400 1 487 74 74 ARG CD C 44.142 0.400 1 488 74 74 ARG N N 121.425 0.400 1 489 75 75 GLY H H 8.721 0.020 1 490 75 75 GLY HA2 H 4.949 0.020 2 491 75 75 GLY HA3 H 3.735 0.020 2 492 75 75 GLY C C 172.513 0.400 1 493 75 75 GLY CA C 44.773 0.400 1 494 75 75 GLY N N 112.753 0.400 1 495 76 76 SER H H 7.324 0.020 1 496 76 76 SER HA H 5.466 0.020 1 497 76 76 SER HB2 H 3.739 0.020 2 498 76 76 SER HB3 H 3.588 0.020 2 499 76 76 SER C C 173.366 0.400 1 500 76 76 SER CA C 57.225 0.400 1 501 76 76 SER CB C 66.464 0.400 1 502 76 76 SER N N 110.468 0.400 1 503 77 77 ILE H H 8.799 0.020 1 504 77 77 ILE HA H 4.671 0.020 1 505 77 77 ILE HB H 1.389 0.020 1 506 77 77 ILE HG12 H 1.353 0.020 2 507 77 77 ILE HG13 H 1.353 0.020 2 508 77 77 ILE HG2 H 0.436 0.020 1 509 77 77 ILE HD1 H 0.481 0.020 1 510 77 77 ILE C C 173.816 0.400 1 511 77 77 ILE CA C 58.997 0.400 1 512 77 77 ILE CB C 43.067 0.400 1 513 77 77 ILE CG1 C 28.021 0.400 1 514 77 77 ILE CG2 C 19.538 0.400 1 515 77 77 ILE CD1 C 14.242 0.400 1 516 77 77 ILE N N 123.997 0.400 1 517 78 78 GLU H H 9.164 0.020 1 518 78 78 GLU HA H 5.067 0.020 1 519 78 78 GLU HB2 H 1.733 0.020 2 520 78 78 GLU HB3 H 1.902 0.020 2 521 78 78 GLU HG2 H 2.105 0.020 2 522 78 78 GLU HG3 H 2.105 0.020 2 523 78 78 GLU C C 174.409 0.400 1 524 78 78 GLU CA C 53.715 0.400 1 525 78 78 GLU CB C 33.140 0.400 1 526 78 78 GLU CG C 36.821 0.400 1 527 78 78 GLU N N 122.040 0.400 1 528 79 79 ILE H H 8.348 0.020 1 529 79 79 ILE HA H 4.766 0.020 1 530 79 79 ILE HB H 1.070 0.020 1 531 79 79 ILE HG12 H 0.589 0.020 2 532 79 79 ILE HG13 H 0.536 0.020 2 533 79 79 ILE HG2 H 0.038 0.020 1 534 79 79 ILE HD1 H -0.064 0.020 1 535 79 79 ILE C C 175.547 0.400 1 536 79 79 ILE CA C 59.468 0.400 1 537 79 79 ILE CB C 37.586 0.400 1 538 79 79 ILE CG1 C 27.384 0.400 1 539 79 79 ILE CG2 C 16.632 0.400 1 540 79 79 ILE CD1 C 12.868 0.400 1 541 79 79 ILE N N 121.327 0.400 1 542 80 80 LEU H H 9.183 0.020 1 543 80 80 LEU HA H 5.293 0.020 1 544 80 80 LEU HB2 H 1.505 0.020 2 545 80 80 LEU HB3 H 1.505 0.020 2 546 80 80 LEU HG H 1.281 0.020 1 547 80 80 LEU HD1 H 0.622 0.020 2 548 80 80 LEU HD2 H 0.653 0.020 2 549 80 80 LEU C C 176.851 0.400 1 550 80 80 LEU CA C 54.787 0.400 1 551 80 80 LEU CB C 45.850 0.400 1 552 80 80 LEU CG C 29.269 0.400 1 553 80 80 LEU CD1 C 26.356 0.400 1 554 80 80 LEU CD2 C 25.864 0.400 1 555 80 80 LEU N N 127.820 0.400 1 556 81 81 ARG H H 8.694 0.020 1 557 81 81 ARG HA H 4.686 0.020 1 558 81 81 ARG HB2 H 1.776 0.020 2 559 81 81 ARG HB3 H 1.603 0.020 2 560 81 81 ARG HG2 H 1.616 0.020 2 561 81 81 ARG HG3 H 1.706 0.020 2 562 81 81 ARG HD2 H 3.236 0.020 2 563 81 81 ARG HD3 H 3.236 0.020 2 564 81 81 ARG C C 177.894 0.400 1 565 81 81 ARG CA C 55.813 0.400 1 566 81 81 ARG CB C 32.144 0.400 1 567 81 81 ARG CG C 28.511 0.400 1 568 81 81 ARG CD C 44.154 0.400 1 569 81 81 ARG N N 121.004 0.400 1 570 82 82 GLY H H 9.313 0.020 1 571 82 82 GLY HA2 H 3.704 0.020 2 572 82 82 GLY HA3 H 3.892 0.020 2 573 82 82 GLY C C 174.836 0.400 1 574 82 82 GLY CA C 47.576 0.400 1 575 82 82 GLY N N 118.501 0.400 1 576 83 83 ASP H H 8.745 0.020 1 577 83 83 ASP HA H 4.451 0.020 1 578 83 83 ASP HB2 H 2.750 0.020 2 579 83 83 ASP HB3 H 2.750 0.020 2 580 83 83 ASP C C 175.594 0.400 1 581 83 83 ASP CA C 55.889 0.400 1 582 83 83 ASP CB C 42.038 0.400 1 583 83 83 ASP N N 120.388 0.400 1 584 84 84 VAL H H 7.656 0.020 1 585 84 84 VAL HA H 4.097 0.020 1 586 84 84 VAL HB H 2.146 0.020 1 587 84 84 VAL HG1 H 0.854 0.020 2 588 84 84 VAL HG2 H 0.961 0.020 2 589 84 84 VAL C C 175.523 0.400 1 590 84 84 VAL CA C 61.949 0.400 1 591 84 84 VAL CB C 34.362 0.400 1 592 84 84 VAL CG1 C 21.561 0.400 1 593 84 84 VAL CG2 C 21.629 0.400 1 594 84 84 VAL N N 120.609 0.400 1 595 85 85 VAL H H 8.563 0.020 1 596 85 85 VAL HA H 4.107 0.020 1 597 85 85 VAL HB H 1.947 0.020 1 598 85 85 VAL HG1 H 0.891 0.020 2 599 85 85 VAL HG2 H 0.847 0.020 2 600 85 85 VAL C C 177.538 0.400 1 601 85 85 VAL CA C 63.753 0.400 1 602 85 85 VAL CB C 31.791 0.400 1 603 85 85 VAL CG1 C 22.097 0.400 1 604 85 85 VAL CG2 C 22.010 0.400 1 605 85 85 VAL N N 126.880 0.400 1 606 86 86 VAL H H 9.206 0.020 1 607 86 86 VAL HA H 4.397 0.020 1 608 86 86 VAL HB H 2.257 0.020 1 609 86 86 VAL HG1 H 0.666 0.020 2 610 86 86 VAL HG2 H 0.990 0.020 2 611 86 86 VAL C C 176.400 0.400 1 612 86 86 VAL CA C 61.795 0.400 1 613 86 86 VAL CB C 33.080 0.400 1 614 86 86 VAL CG1 C 19.983 0.400 1 615 86 86 VAL CG2 C 22.500 0.400 1 616 86 86 VAL N N 123.441 0.400 1 617 87 87 ALA H H 7.525 0.020 1 618 87 87 ALA HA H 4.415 0.020 1 619 87 87 ALA HB H 1.075 0.020 1 620 87 87 ALA C C 174.575 0.400 1 621 87 87 ALA CA C 52.921 0.400 1 622 87 87 ALA CB C 23.161 0.400 1 623 87 87 ALA N N 121.785 0.400 1 624 88 88 ILE H H 8.072 0.020 1 625 88 88 ILE HA H 4.901 0.020 1 626 88 88 ILE HB H 1.621 0.020 1 627 88 88 ILE HG12 H 1.441 0.020 2 628 88 88 ILE HG13 H 1.019 0.020 2 629 88 88 ILE HG2 H 0.782 0.020 1 630 88 88 ILE HD1 H 0.827 0.020 1 631 88 88 ILE C C 176.072 0.400 1 632 88 88 ILE CA C 60.447 0.400 1 633 88 88 ILE CB C 40.248 0.400 1 634 88 88 ILE CG1 C 28.140 0.400 1 635 88 88 ILE CG2 C 17.472 0.400 1 636 88 88 ILE CD1 C 13.478 0.400 1 637 88 88 ILE N N 119.480 0.400 1 638 89 89 LEU H H 9.229 0.020 1 639 89 89 LEU HA H 4.803 0.020 1 640 89 89 LEU HB2 H 1.803 0.020 2 641 89 89 LEU HB3 H 1.803 0.020 2 642 89 89 LEU HG H 1.528 0.020 1 643 89 89 LEU HD1 H 0.609 0.020 2 644 89 89 LEU HD2 H 0.824 0.020 2 645 89 89 LEU C C 176.827 0.400 1 646 89 89 LEU CA C 53.834 0.400 1 647 89 89 LEU CB C 45.730 0.400 1 648 89 89 LEU CG C 29.114 0.400 1 649 89 89 LEU CD1 C 25.978 0.400 1 650 89 89 LEU CD2 C 25.274 0.400 1 651 89 89 LEU N N 128.407 0.400 1 652 90 90 GLY H H 9.597 0.020 1 653 90 90 GLY HA2 H 3.728 0.020 2 654 90 90 GLY HA3 H 5.068 0.020 2 655 90 90 GLY C C 173.271 0.400 1 656 90 90 GLY CA C 44.829 0.400 1 657 90 90 GLY N N 110.397 0.400 1 658 91 91 LYS H H 8.180 0.020 1 659 91 91 LYS HA H 3.598 0.020 1 660 91 91 LYS HB2 H 1.787 0.020 2 661 91 91 LYS HB3 H 1.734 0.020 2 662 91 91 LYS HG2 H 1.382 0.020 2 663 91 91 LYS HG3 H 1.497 0.020 2 664 91 91 LYS HD2 H 1.777 0.020 2 665 91 91 LYS HD3 H 1.777 0.020 2 666 91 91 LYS HE2 H 3.086 0.020 2 667 91 91 LYS HE3 H 3.086 0.020 2 668 91 91 LYS C C 177.206 0.400 1 669 91 91 LYS CA C 59.106 0.400 1 670 91 91 LYS CB C 33.358 0.400 1 671 91 91 LYS CG C 24.368 0.400 1 672 91 91 LYS CD C 29.949 0.400 1 673 91 91 LYS CE C 42.294 0.400 1 674 91 91 LYS N N 119.610 0.400 1 675 92 92 ASN H H 9.003 0.020 1 676 92 92 ASN HA H 4.571 0.020 1 677 92 92 ASN HB2 H 3.546 0.020 2 678 92 92 ASN HB3 H 3.160 0.020 2 679 92 92 ASN C C 176.969 0.400 1 680 92 92 ASN CA C 56.516 0.400 1 681 92 92 ASN CB C 37.717 0.400 1 682 92 92 ASN N N 116.827 0.400 1 683 93 93 ASP H H 8.573 0.020 1 684 93 93 ASP HA H 4.978 0.020 1 685 93 93 ASP HB2 H 2.594 0.020 2 686 93 93 ASP HB3 H 2.594 0.020 2 687 93 93 ASP C C 175.405 0.400 1 688 93 93 ASP CA C 55.723 0.400 1 689 93 93 ASP CB C 42.853 0.400 1 690 93 93 ASP N N 121.261 0.400 1 691 94 94 ILE H H 8.525 0.020 1 692 94 94 ILE HA H 5.255 0.020 1 693 94 94 ILE HB H 1.715 0.020 1 694 94 94 ILE HG12 H 1.386 0.020 2 695 94 94 ILE HG13 H 1.386 0.020 2 696 94 94 ILE HG2 H 0.654 0.020 1 697 94 94 ILE HD1 H 0.867 0.020 1 698 94 94 ILE C C 176.400 0.400 1 699 94 94 ILE CA C 60.260 0.400 1 700 94 94 ILE CB C 42.877 0.400 1 701 94 94 ILE CG1 C 25.560 0.400 1 702 94 94 ILE CG2 C 18.069 0.400 1 703 94 94 ILE CD1 C 15.087 0.400 1 704 94 94 ILE N N 118.832 0.400 1 705 95 95 PHE H H 8.772 0.020 1 706 95 95 PHE HA H 5.625 0.020 1 707 95 95 PHE HB2 H 3.211 0.020 2 708 95 95 PHE HB3 H 2.967 0.020 2 709 95 95 PHE HD1 H 6.837 0.020 3 710 95 95 PHE HD2 H 6.837 0.020 3 711 95 95 PHE C C 173.081 0.400 1 712 95 95 PHE CA C 55.590 0.400 1 713 95 95 PHE CB C 42.163 0.400 1 714 95 95 PHE N N 120.215 0.400 1 715 96 96 GLY H H 7.672 0.020 1 716 96 96 GLY HA2 H 4.876 0.020 2 717 96 96 GLY HA3 H 3.810 0.020 2 718 96 96 GLY C C 170.735 0.400 1 719 96 96 GLY CA C 45.819 0.400 1 720 96 96 GLY N N 104.673 0.400 1 721 97 97 GLU H H 8.750 0.020 1 722 97 97 GLU HA H 5.275 0.020 1 723 97 97 GLU HB2 H 1.902 0.020 2 724 97 97 GLU HB3 H 1.902 0.020 2 725 97 97 GLU HG2 H 2.120 0.020 2 726 97 97 GLU HG3 H 2.120 0.020 2 727 97 97 GLU C C 173.579 0.400 1 728 97 97 GLU CA C 54.118 0.400 1 729 97 97 GLU CB C 31.513 0.400 1 730 97 97 GLU CG C 36.376 0.400 1 731 97 97 GLU N N 122.862 0.400 1 732 98 98 PRO HA H 4.509 0.020 1 733 98 98 PRO HB2 H 2.179 0.020 2 734 98 98 PRO HB3 H 2.179 0.020 2 735 98 98 PRO HG2 H 2.058 0.020 2 736 98 98 PRO HG3 H 2.058 0.020 2 737 98 98 PRO HD2 H 3.704 0.020 2 738 98 98 PRO HD3 H 3.631 0.020 2 739 98 98 PRO C C 177.088 0.400 1 740 98 98 PRO CA C 62.621 0.400 1 741 98 98 PRO CB C 30.206 0.400 1 742 98 98 PRO CG C 29.024 0.400 1 743 98 98 PRO CD C 51.429 0.400 1 744 99 99 LEU H H 7.806 0.020 1 745 99 99 LEU HA H 4.139 0.020 1 746 99 99 LEU HB2 H 1.664 0.020 2 747 99 99 LEU HB3 H 1.664 0.020 2 748 99 99 LEU HD1 H 1.058 0.020 2 749 99 99 LEU HD2 H 1.070 0.020 2 750 99 99 LEU C C 176.092 0.400 1 751 99 99 LEU CA C 57.241 0.400 1 752 99 99 LEU CB C 42.175 0.400 1 753 99 99 LEU CD1 C 25.727 0.400 1 754 99 99 LEU CD2 C 27.200 0.400 1 755 99 99 LEU N N 124.194 0.400 1 756 100 100 ASN H H 7.597 0.020 1 757 100 100 ASN HA H 4.528 0.020 1 758 100 100 ASN HB2 H 2.675 0.020 2 759 100 100 ASN HB3 H 2.675 0.020 2 760 100 100 ASN C C 176.389 0.400 1 761 100 100 ASN CA C 57.800 0.400 1 762 100 100 ASN CB C 39.673 0.400 1 763 100 100 ASN N N 116.587 0.400 1 764 101 101 LEU H H 7.541 0.020 1 765 101 101 LEU HA H 3.949 0.020 1 766 101 101 LEU HB2 H 1.494 0.020 2 767 101 101 LEU HB3 H 1.494 0.020 2 768 101 101 LEU HD1 H 0.828 0.020 2 769 101 101 LEU C C 176.803 0.400 1 770 101 101 LEU CA C 55.683 0.400 1 771 101 101 LEU CB C 42.365 0.400 1 772 101 101 LEU N N 121.766 0.400 1 773 102 102 TYR H H 7.250 0.020 1 774 102 102 TYR HA H 5.030 0.020 1 775 102 102 TYR HB2 H 2.972 0.020 2 776 102 102 TYR HB3 H 2.972 0.020 2 777 102 102 TYR C C 174.739 0.400 1 778 102 102 TYR CA C 57.114 0.400 1 779 102 102 TYR CB C 40.747 0.400 1 780 102 102 TYR N N 116.145 0.400 1 781 103 103 ALA H H 9.158 0.020 1 782 103 103 ALA HA H 4.228 0.020 1 783 103 103 ALA HB H 1.420 0.020 1 784 103 103 ALA C C 177.941 0.400 1 785 103 103 ALA CA C 53.578 0.400 1 786 103 103 ALA CB C 20.048 0.400 1 787 103 103 ALA N N 122.263 0.400 1 788 104 104 ARG H H 7.988 0.020 1 789 104 104 ARG C C 174.314 0.400 1 790 104 104 ARG CA C 53.273 0.400 1 791 104 104 ARG CB C 31.142 0.400 1 792 104 104 ARG N N 116.897 0.400 1 793 105 105 PRO HA H 4.621 0.020 1 794 105 105 PRO HB2 H 2.287 0.020 2 795 105 105 PRO HB3 H 1.905 0.020 2 796 105 105 PRO HG2 H 2.111 0.020 2 797 105 105 PRO HG3 H 1.908 0.020 2 798 105 105 PRO HD2 H 3.691 0.020 2 799 105 105 PRO HD3 H 3.691 0.020 2 800 105 105 PRO C C 177.420 0.400 1 801 105 105 PRO CA C 63.416 0.400 1 802 105 105 PRO CB C 32.961 0.400 1 803 105 105 PRO CG C 27.868 0.400 1 804 105 105 PRO CD C 51.354 0.400 1 805 106 106 GLY H H 9.888 0.020 1 806 106 106 GLY HA2 H 3.528 0.020 2 807 106 106 GLY HA3 H 4.225 0.020 2 808 106 106 GLY C C 171.873 0.400 1 809 106 106 GLY CA C 44.064 0.400 1 810 106 106 GLY N N 113.736 0.400 1 811 107 107 LYS H H 8.342 0.020 1 812 107 107 LYS HA H 4.908 0.020 1 813 107 107 LYS HB2 H 1.720 0.020 2 814 107 107 LYS HB3 H 1.606 0.020 2 815 107 107 LYS HG2 H 1.534 0.020 2 816 107 107 LYS HG3 H 1.575 0.020 2 817 107 107 LYS HD2 H 1.756 0.020 2 818 107 107 LYS HD3 H 1.710 0.020 2 819 107 107 LYS HE2 H 3.047 0.020 2 820 107 107 LYS HE3 H 3.047 0.020 2 821 107 107 LYS C C 177.088 0.400 1 822 107 107 LYS CA C 54.582 0.400 1 823 107 107 LYS CB C 35.634 0.400 1 824 107 107 LYS CG C 25.183 0.400 1 825 107 107 LYS CD C 29.389 0.400 1 826 107 107 LYS CE C 42.694 0.400 1 827 107 107 LYS N N 116.961 0.400 1 828 108 108 SER H H 8.933 0.020 1 829 108 108 SER HA H 4.482 0.020 1 830 108 108 SER HB2 H 4.314 0.020 2 831 108 108 SER HB3 H 3.761 0.020 2 832 108 108 SER C C 179.004 0.400 1 833 108 108 SER CA C 58.760 0.400 1 834 108 108 SER CB C 64.108 0.400 1 835 108 108 SER N N 111.560 0.400 1 836 109 109 ASN H H 10.119 0.020 1 837 109 109 ASN HA H 4.601 0.020 1 838 109 109 ASN HB2 H 2.614 0.020 2 839 109 109 ASN HB3 H 3.193 0.020 2 840 109 109 ASN C C 176.424 0.400 1 841 109 109 ASN CA C 53.240 0.400 1 842 109 109 ASN CB C 38.478 0.400 1 843 109 109 ASN N N 129.582 0.400 1 844 110 110 GLY H H 7.903 0.020 1 845 110 110 GLY HA2 H 4.665 0.020 2 846 110 110 GLY HA3 H 3.413 0.020 2 847 110 110 GLY C C 171.920 0.400 1 848 110 110 GLY CA C 45.666 0.400 1 849 110 110 GLY N N 106.459 0.400 1 850 111 111 ASP H H 8.716 0.020 1 851 111 111 ASP HA H 5.148 0.020 1 852 111 111 ASP HB2 H 2.367 0.020 2 853 111 111 ASP HB3 H 2.504 0.020 2 854 111 111 ASP C C 175.547 0.400 1 855 111 111 ASP CA C 53.242 0.400 1 856 111 111 ASP CB C 43.899 0.400 1 857 111 111 ASP N N 119.231 0.400 1 858 112 112 VAL H H 8.797 0.020 1 859 112 112 VAL HA H 4.394 0.020 1 860 112 112 VAL HB H 1.612 0.020 1 861 112 112 VAL HG1 H 0.431 0.020 2 862 112 112 VAL HG2 H 0.223 0.020 2 863 112 112 VAL C C 175.227 0.400 1 864 112 112 VAL CA C 61.585 0.400 1 865 112 112 VAL CB C 33.262 0.400 1 866 112 112 VAL CG1 C 21.050 0.400 1 867 112 112 VAL CG2 C 22.259 0.400 1 868 112 112 VAL N N 121.094 0.400 1 869 113 113 ARG H H 9.301 0.020 1 870 113 113 ARG HA H 5.287 0.020 1 871 113 113 ARG HB2 H 1.654 0.020 2 872 113 113 ARG HB3 H 1.411 0.020 2 873 113 113 ARG HG2 H 1.407 0.020 2 874 113 113 ARG HG3 H 1.254 0.020 2 875 113 113 ARG HD2 H 2.963 0.020 2 876 113 113 ARG HD3 H 2.963 0.020 2 877 113 113 ARG C C 175.096 0.400 1 878 113 113 ARG CA C 54.395 0.400 1 879 113 113 ARG CB C 35.537 0.400 1 880 113 113 ARG CG C 26.290 0.400 1 881 113 113 ARG CD C 44.367 0.400 1 882 113 113 ARG N N 128.067 0.400 1 883 114 114 ALA H H 8.601 0.020 1 884 114 114 ALA HA H 4.332 0.020 1 885 114 114 ALA HB H 1.492 0.020 1 886 114 114 ALA C C 178.273 0.400 1 887 114 114 ALA CA C 53.593 0.400 1 888 114 114 ALA CB C 19.438 0.400 1 889 114 114 ALA N N 127.598 0.400 1 890 115 115 LEU H H 9.087 0.020 1 891 115 115 LEU HA H 4.441 0.020 1 892 115 115 LEU HB2 H 1.563 0.020 2 893 115 115 LEU HB3 H 1.393 0.020 2 894 115 115 LEU HG H 1.447 0.020 1 895 115 115 LEU HD1 H 0.804 0.020 2 896 115 115 LEU HD2 H 0.821 0.020 2 897 115 115 LEU C C 177.372 0.400 1 898 115 115 LEU CA C 56.921 0.400 1 899 115 115 LEU CB C 44.219 0.400 1 900 115 115 LEU CG C 27.744 0.400 1 901 115 115 LEU CD1 C 24.824 0.400 1 902 115 115 LEU CD2 C 25.158 0.400 1 903 115 115 LEU N N 128.676 0.400 1 904 116 116 THR H H 7.241 0.020 1 905 116 116 THR HA H 4.553 0.020 1 906 116 116 THR HB H 4.715 0.020 1 907 116 116 THR HG2 H 1.158 0.020 1 908 116 116 THR C C 173.864 0.400 1 909 116 116 THR CA C 59.524 0.400 1 910 116 116 THR CB C 72.692 0.400 1 911 116 116 THR CG2 C 21.378 0.400 1 912 116 116 THR N N 108.470 0.400 1 913 117 117 TYR H H 8.193 0.020 1 914 117 117 TYR HA H 4.687 0.020 1 915 117 117 TYR HB2 H 2.948 0.020 2 916 117 117 TYR HB3 H 2.919 0.020 2 917 117 117 TYR HD1 H 7.154 0.020 3 918 117 117 TYR HD2 H 7.154 0.020 3 919 117 117 TYR C C 178.818 0.400 1 920 117 117 TYR CA C 61.012 0.400 1 921 117 117 TYR CB C 38.441 0.400 1 922 117 117 TYR N N 117.884 0.400 1 923 118 118 CYS H H 8.988 0.020 1 924 118 118 CYS HA H 5.320 0.020 1 925 118 118 CYS HB2 H 2.801 0.020 2 926 118 118 CYS HB3 H 2.486 0.020 2 927 118 118 CYS C C 173.484 0.400 1 928 118 118 CYS CA C 57.717 0.400 1 929 118 118 CYS CB C 31.898 0.400 1 930 118 118 CYS N N 125.184 0.400 1 931 119 119 ASP H H 8.381 0.020 1 932 119 119 ASP HA H 5.395 0.020 1 933 119 119 ASP HB2 H 2.795 0.020 2 934 119 119 ASP HB3 H 2.425 0.020 2 935 119 119 ASP C C 174.077 0.400 1 936 119 119 ASP CA C 54.072 0.400 1 937 119 119 ASP CB C 43.245 0.400 1 938 119 119 ASP N N 123.053 0.400 1 939 120 120 LEU H H 8.755 0.020 1 940 120 120 LEU HA H 4.977 0.020 1 941 120 120 LEU HB2 H 1.675 0.020 2 942 120 120 LEU HB3 H 1.675 0.020 2 943 120 120 LEU HG H 1.518 0.020 1 944 120 120 LEU HD1 H 0.935 0.020 2 945 120 120 LEU HD2 H 1.013 0.020 2 946 120 120 LEU C C 174.693 0.400 1 947 120 120 LEU CA C 53.738 0.400 1 948 120 120 LEU CB C 45.906 0.400 1 949 120 120 LEU CD1 C 27.096 0.400 1 950 120 120 LEU CD2 C 24.724 0.400 1 951 120 120 LEU N N 122.640 0.400 1 952 121 121 HIS H H 9.116 0.020 1 953 121 121 HIS HA H 5.589 0.020 1 954 121 121 HIS HB2 H 2.818 0.020 2 955 121 121 HIS HB3 H 2.818 0.020 2 956 121 121 HIS C C 174.551 0.400 1 957 121 121 HIS CA C 54.487 0.400 1 958 121 121 HIS CB C 31.799 0.400 1 959 121 121 HIS N N 122.427 0.400 1 960 122 122 LYS H H 9.496 0.020 1 961 122 122 LYS HA H 5.581 0.020 1 962 122 122 LYS HB2 H 1.285 0.020 2 963 122 122 LYS HB3 H 1.050 0.020 2 964 122 122 LYS HG2 H 1.047 0.020 2 965 122 122 LYS HD2 H 1.439 0.020 2 966 122 122 LYS HD3 H 1.287 0.020 2 967 122 122 LYS HE2 H 2.692 0.020 2 968 122 122 LYS HE3 H 2.692 0.020 2 969 122 122 LYS C C 175.973 0.400 1 970 122 122 LYS CA C 53.951 0.400 1 971 122 122 LYS CB C 37.161 0.400 1 972 122 122 LYS CG C 24.800 0.400 1 973 122 122 LYS CD C 30.647 0.400 1 974 122 122 LYS CE C 42.340 0.400 1 975 122 122 LYS N N 122.853 0.400 1 976 123 123 ILE H H 8.366 0.020 1 977 123 123 ILE HA H 4.433 0.020 1 978 123 123 ILE HB H 1.658 0.020 1 979 123 123 ILE HG12 H 1.105 0.020 2 980 123 123 ILE HG13 H 1.325 0.020 2 981 123 123 ILE HG2 H 0.713 0.020 1 982 123 123 ILE HD1 H 0.381 0.020 1 983 123 123 ILE C C 173.277 0.400 1 984 123 123 ILE CA C 58.206 0.400 1 985 123 123 ILE CB C 37.083 0.400 1 986 123 123 ILE CG1 C 28.979 0.400 1 987 123 123 ILE CG2 C 16.427 0.400 1 988 123 123 ILE CD1 C 14.938 0.400 1 989 123 123 ILE N N 121.118 0.400 1 990 124 124 HIS H H 9.313 0.020 1 991 124 124 HIS HA H 4.400 0.020 1 992 124 124 HIS HB2 H 3.154 0.020 2 993 124 124 HIS HB3 H 3.027 0.020 2 994 124 124 HIS C C 177.680 0.400 1 995 124 124 HIS CA C 58.027 0.400 1 996 124 124 HIS CB C 31.329 0.400 1 997 124 124 HIS N N 128.709 0.400 1 998 125 125 ARG H H 8.950 0.020 1 999 125 125 ARG HA H 3.925 0.020 1 1000 125 125 ARG HB2 H 1.670 0.020 2 1001 125 125 ARG HB3 H 1.885 0.020 2 1002 125 125 ARG HG2 H 1.383 0.020 2 1003 125 125 ARG HG3 H 1.515 0.020 2 1004 125 125 ARG HD2 H 3.038 0.020 2 1005 125 125 ARG HD3 H 3.038 0.020 2 1006 125 125 ARG C C 177.182 0.400 1 1007 125 125 ARG CA C 60.158 0.400 1 1008 125 125 ARG CB C 31.112 0.400 1 1009 125 125 ARG CG C 25.926 0.400 1 1010 125 125 ARG CD C 42.151 0.400 1 1011 125 125 ARG N N 127.229 0.400 1 1012 126 126 ASP H H 10.457 0.020 1 1013 126 126 ASP HA H 4.475 0.020 1 1014 126 126 ASP HB2 H 2.676 0.020 2 1015 126 126 ASP HB3 H 2.676 0.020 2 1016 126 126 ASP C C 179.932 0.400 1 1017 126 126 ASP CA C 57.988 0.400 1 1018 126 126 ASP CB C 39.991 0.400 1 1019 126 126 ASP N N 120.300 0.400 1 1020 127 127 ASP H H 7.170 0.020 1 1021 127 127 ASP HA H 4.557 0.020 1 1022 127 127 ASP HB2 H 2.335 0.020 2 1023 127 127 ASP HB3 H 2.956 0.020 2 1024 127 127 ASP C C 177.917 0.400 1 1025 127 127 ASP CA C 57.660 0.400 1 1026 127 127 ASP CB C 41.558 0.400 1 1027 127 127 ASP N N 119.841 0.400 1 1028 128 128 LEU H H 8.182 0.020 1 1029 128 128 LEU HA H 3.877 0.020 1 1030 128 128 LEU HB2 H 1.956 0.020 2 1031 128 128 LEU HB3 H 1.956 0.020 2 1032 128 128 LEU HG H 0.984 0.020 1 1033 128 128 LEU HD1 H 0.624 0.020 2 1034 128 128 LEU HD2 H 0.673 0.020 2 1035 128 128 LEU C C 178.368 0.400 1 1036 128 128 LEU CA C 58.380 0.400 1 1037 128 128 LEU CB C 41.733 0.400 1 1038 128 128 LEU CG C 27.582 0.400 1 1039 128 128 LEU CD1 C 22.664 0.400 1 1040 128 128 LEU CD2 C 24.320 0.400 1 1041 128 128 LEU N N 120.227 0.400 1 1042 129 129 LEU H H 8.275 0.020 1 1043 129 129 LEU HA H 4.047 0.020 1 1044 129 129 LEU HB2 H 1.927 0.020 2 1045 129 129 LEU HB3 H 1.927 0.020 2 1046 129 129 LEU HD1 H 0.996 0.020 2 1047 129 129 LEU HD2 H 0.546 0.020 2 1048 129 129 LEU C C 179.529 0.400 1 1049 129 129 LEU CA C 58.745 0.400 1 1050 129 129 LEU CB C 41.195 0.400 1 1051 129 129 LEU CD1 C 23.120 0.400 1 1052 129 129 LEU CD2 C 27.031 0.400 1 1053 129 129 LEU N N 116.888 0.400 1 1054 130 130 GLU H H 7.721 0.020 1 1055 130 130 GLU HA H 4.092 0.020 1 1056 130 130 GLU HB2 H 2.309 0.020 2 1057 130 130 GLU HB3 H 2.269 0.020 2 1058 130 130 GLU HG2 H 2.424 0.020 2 1059 130 130 GLU HG3 H 2.134 0.020 2 1060 130 130 GLU C C 179.553 0.400 1 1061 130 130 GLU CA C 59.991 0.400 1 1062 130 130 GLU CB C 30.280 0.400 1 1063 130 130 GLU CG C 36.853 0.400 1 1064 130 130 GLU N N 119.104 0.400 1 1065 131 131 VAL H H 7.656 0.020 1 1066 131 131 VAL HA H 3.836 0.020 1 1067 131 131 VAL HB H 2.123 0.020 1 1068 131 131 VAL HG1 H 1.012 0.020 2 1069 131 131 VAL HG2 H 1.044 0.020 2 1070 131 131 VAL C C 178.865 0.400 1 1071 131 131 VAL CA C 67.224 0.400 1 1072 131 131 VAL CB C 32.398 0.400 1 1073 131 131 VAL CG1 C 23.402 0.400 1 1074 131 131 VAL CG2 C 23.676 0.400 1 1075 131 131 VAL N N 118.703 0.400 1 1076 132 132 LEU H H 8.392 0.020 1 1077 132 132 LEU HA H 4.065 0.020 1 1078 132 132 LEU HB2 H 1.978 0.020 2 1079 132 132 LEU HB3 H 1.592 0.020 2 1080 132 132 LEU HG H 0.950 0.020 1 1081 132 132 LEU HD1 H 0.536 0.020 2 1082 132 132 LEU HD2 H 0.382 0.020 2 1083 132 132 LEU C C 179.790 0.400 1 1084 132 132 LEU CA C 58.611 0.400 1 1085 132 132 LEU CB C 41.051 0.400 1 1086 132 132 LEU CG C 25.646 0.400 1 1087 132 132 LEU CD1 C 27.547 0.400 1 1088 132 132 LEU CD2 C 22.829 0.400 1 1089 132 132 LEU N N 118.114 0.400 1 1090 133 133 ASP H H 7.942 0.020 1 1091 133 133 ASP HA H 4.521 0.020 1 1092 133 133 ASP HB2 H 2.637 0.020 2 1093 133 133 ASP HB3 H 2.842 0.020 2 1094 133 133 ASP C C 178.320 0.400 1 1095 133 133 ASP CA C 57.042 0.400 1 1096 133 133 ASP CB C 41.755 0.400 1 1097 133 133 ASP N N 117.916 0.400 1 1098 134 134 MET H H 7.603 0.020 1 1099 134 134 MET HA H 4.120 0.020 1 1100 134 134 MET HB2 H 2.248 0.020 2 1101 134 134 MET HB3 H 1.765 0.020 2 1102 134 134 MET HG2 H 2.668 0.020 2 1103 134 134 MET HG3 H 2.342 0.020 2 1104 134 134 MET HE H 2.097 0.020 1 1105 134 134 MET C C 176.045 0.400 1 1106 134 134 MET CA C 57.369 0.400 1 1107 134 134 MET CB C 34.436 0.400 1 1108 134 134 MET CG C 32.734 0.400 1 1109 134 134 MET CE C 17.336 0.400 1 1110 134 134 MET N N 116.353 0.400 1 1111 135 135 TYR H H 7.590 0.020 1 1112 135 135 TYR HA H 5.003 0.020 1 1113 135 135 TYR HB2 H 2.916 0.020 2 1114 135 135 TYR HB3 H 3.361 0.020 2 1115 135 135 TYR HD1 H 7.432 0.020 3 1116 135 135 TYR HD2 H 7.432 0.020 3 1117 135 135 TYR CA C 56.442 0.400 1 1118 135 135 TYR CB C 39.714 0.400 1 1119 135 135 TYR N N 116.851 0.400 1 1120 136 136 PRO HA H 4.567 0.020 1 1121 136 136 PRO HB2 H 2.439 0.020 2 1122 136 136 PRO HB3 H 2.103 0.020 2 1123 136 136 PRO HG2 H 2.093 0.020 2 1124 136 136 PRO HG3 H 1.915 0.020 2 1125 136 136 PRO HD2 H 3.733 0.020 2 1126 136 136 PRO HD3 H 3.406 0.020 2 1127 136 136 PRO C C 179.672 0.400 1 1128 136 136 PRO CA C 65.686 0.400 1 1129 136 136 PRO CB C 32.176 0.400 1 1130 136 136 PRO CG C 27.912 0.400 1 1131 136 136 PRO CD C 50.903 0.400 1 1132 137 137 GLU H H 9.171 0.020 1 1133 137 137 GLU HA H 4.316 0.020 1 1134 137 137 GLU HB2 H 2.196 0.020 2 1135 137 137 GLU HB3 H 2.196 0.020 2 1136 137 137 GLU HG2 H 2.403 0.020 2 1137 137 137 GLU HG3 H 2.459 0.020 2 1138 137 137 GLU C C 179.269 0.400 1 1139 137 137 GLU CA C 59.788 0.400 1 1140 137 137 GLU CB C 28.968 0.400 1 1141 137 137 GLU CG C 37.107 0.400 1 1142 137 137 GLU N N 118.919 0.400 1 1143 138 138 PHE H H 8.116 0.020 1 1144 138 138 PHE HA H 4.709 0.020 1 1145 138 138 PHE HB2 H 3.206 0.020 2 1146 138 138 PHE HB3 H 3.580 0.020 2 1147 138 138 PHE HD1 H 7.043 0.020 3 1148 138 138 PHE HD2 H 7.043 0.020 3 1149 138 138 PHE C C 177.111 0.400 1 1150 138 138 PHE CA C 59.861 0.400 1 1151 138 138 PHE CB C 40.523 0.400 1 1152 138 138 PHE N N 121.088 0.400 1 1153 139 139 SER H H 8.400 0.020 1 1154 139 139 SER HA H 3.760 0.020 1 1155 139 139 SER HB2 H 4.301 0.020 2 1156 139 139 SER HB3 H 4.178 0.020 2 1157 139 139 SER C C 175.926 0.400 1 1158 139 139 SER CA C 62.405 0.400 1 1159 139 139 SER CB C 63.473 0.400 1 1160 139 139 SER N N 114.032 0.400 1 1161 140 140 ASP H H 7.897 0.020 1 1162 140 140 ASP HA H 4.520 0.020 1 1163 140 140 ASP HB2 H 2.734 0.020 2 1164 140 140 ASP HB3 H 2.687 0.020 2 1165 140 140 ASP C C 179.529 0.400 1 1166 140 140 ASP CA C 57.888 0.400 1 1167 140 140 ASP CB C 40.964 0.400 1 1168 140 140 ASP N N 117.228 0.400 1 1169 141 141 HIS H H 7.506 0.020 1 1170 141 141 HIS HA H 4.214 0.020 1 1171 141 141 HIS HB2 H 3.163 0.020 2 1172 141 141 HIS HB3 H 3.163 0.020 2 1173 141 141 HIS C C 177.799 0.400 1 1174 141 141 HIS CA C 59.654 0.400 1 1175 141 141 HIS CB C 30.738 0.400 1 1176 141 141 HIS N N 119.319 0.400 1 1177 142 142 PHE H H 8.662 0.020 1 1178 142 142 PHE HA H 3.568 0.020 1 1179 142 142 PHE HB2 H 1.929 0.020 2 1180 142 142 PHE HB3 H 2.249 0.020 2 1181 142 142 PHE HD1 H 5.841 0.020 3 1182 142 142 PHE HD2 H 5.841 0.020 3 1183 142 142 PHE HE1 H 7.047 0.020 3 1184 142 142 PHE HE2 H 7.047 0.020 3 1185 142 142 PHE C C 177.206 0.400 1 1186 142 142 PHE CA C 61.937 0.400 1 1187 142 142 PHE CB C 38.992 0.400 1 1188 142 142 PHE N N 122.680 0.400 1 1189 143 143 TRP H H 8.139 0.020 1 1190 143 143 TRP HA H 4.384 0.020 1 1191 143 143 TRP HB2 H 3.152 0.020 2 1192 143 143 TRP HB3 H 3.323 0.020 2 1193 143 143 TRP HD1 H 7.477 0.020 1 1194 143 143 TRP HE1 H 10.075 0.020 1 1195 143 143 TRP HZ2 H 7.223 0.020 1 1196 143 143 TRP C C 179.695 0.400 1 1197 143 143 TRP CA C 59.428 0.400 1 1198 143 143 TRP CB C 29.850 0.400 1 1199 143 143 TRP N N 115.783 0.400 1 1200 143 143 TRP NE1 N 128.642 0.400 1 1201 144 144 SER H H 7.658 0.020 1 1202 144 144 SER HA H 4.366 0.020 1 1203 144 144 SER HB2 H 3.971 0.020 2 1204 144 144 SER HB3 H 3.923 0.020 2 1205 144 144 SER C C 175.665 0.400 1 1206 144 144 SER CA C 60.796 0.400 1 1207 144 144 SER CB C 63.578 0.400 1 1208 144 144 SER N N 111.788 0.400 1 1209 145 145 SER H H 7.393 0.020 1 1210 145 145 SER HA H 4.394 0.020 1 1211 145 145 SER HB2 H 3.480 0.020 2 1212 145 145 SER HB3 H 3.480 0.020 2 1213 145 145 SER C C 174.290 0.400 1 1214 145 145 SER CA C 59.147 0.400 1 1215 145 145 SER CB C 64.953 0.400 1 1216 145 145 SER N N 114.506 0.400 1 1217 146 146 LEU H H 7.327 0.020 1 1218 146 146 LEU HA H 3.675 0.020 1 1219 146 146 LEU HB2 H 1.492 0.020 2 1220 146 146 LEU HB3 H 1.492 0.020 2 1221 146 146 LEU HD1 H 0.534 0.020 2 1222 146 146 LEU HD2 H 0.753 0.020 2 1223 146 146 LEU C C 175.736 0.400 1 1224 146 146 LEU CA C 56.364 0.400 1 1225 146 146 LEU CB C 41.618 0.400 1 1226 146 146 LEU CD1 C 23.884 0.400 1 1227 146 146 LEU CD2 C 26.871 0.400 1 1228 146 146 LEU N N 124.189 0.400 1 1229 147 147 GLU H H 8.481 0.020 1 1230 147 147 GLU HA H 4.465 0.020 1 1231 147 147 GLU HB2 H 1.891 0.020 2 1232 147 147 GLU HB3 H 1.891 0.020 2 1233 147 147 GLU HG2 H 2.027 0.020 2 1234 147 147 GLU HG3 H 2.160 0.020 2 1235 147 147 GLU C C 175.523 0.400 1 1236 147 147 GLU CA C 54.943 0.400 1 1237 147 147 GLU CB C 31.016 0.400 1 1238 147 147 GLU CG C 36.517 0.400 1 1239 147 147 GLU N N 129.329 0.400 1 1240 148 148 ILE H H 8.626 0.020 1 1241 148 148 ILE HA H 3.668 0.020 1 1242 148 148 ILE HB H 1.771 0.020 1 1243 148 148 ILE HG12 H 1.382 0.020 2 1244 148 148 ILE HG13 H 1.382 0.020 2 1245 148 148 ILE HG2 H 0.641 0.020 1 1246 148 148 ILE HD1 H 0.671 0.020 1 1247 148 148 ILE C C 176.163 0.400 1 1248 148 148 ILE CA C 61.836 0.400 1 1249 148 148 ILE CB C 37.512 0.400 1 1250 148 148 ILE CG1 C 28.555 0.400 1 1251 148 148 ILE CG2 C 17.941 0.400 1 1252 148 148 ILE CD1 C 13.197 0.400 1 1253 148 148 ILE N N 125.130 0.400 1 1254 149 149 THR H H 8.516 0.020 1 1255 149 149 THR HA H 4.022 0.020 1 1256 149 149 THR HB H 4.254 0.020 1 1257 149 149 THR HG2 H 1.411 0.020 1 1258 149 149 THR C C 175.499 0.400 1 1259 149 149 THR CA C 66.694 0.400 1 1260 149 149 THR CB C 68.864 0.400 1 1261 149 149 THR CG2 C 23.529 0.400 1 1262 149 149 THR N N 127.371 0.400 1 1263 150 150 PHE H H 7.557 0.020 1 1264 150 150 PHE HA H 4.416 0.020 1 1265 150 150 PHE HB2 H 2.623 0.020 2 1266 150 150 PHE HB3 H 2.899 0.020 2 1267 150 150 PHE HD1 H 6.926 0.020 3 1268 150 150 PHE HD2 H 6.926 0.020 3 1269 150 150 PHE HE1 H 7.277 0.020 3 1270 150 150 PHE HE2 H 7.277 0.020 3 1271 150 150 PHE C C 172.858 0.400 1 1272 150 150 PHE CA C 59.316 0.400 1 1273 150 150 PHE CB C 44.094 0.400 1 1274 150 150 PHE N N 118.435 0.400 1 1275 151 151 ASN H H 7.991 0.020 1 1276 151 151 ASN HA H 5.066 0.020 1 1277 151 151 ASN HB2 H 2.870 0.020 2 1278 151 151 ASN HB3 H 2.587 0.020 2 1279 151 151 ASN HD21 H 6.920 0.020 2 1280 151 151 ASN HD22 H 7.680 0.020 2 1281 151 151 ASN C C 175.736 0.400 1 1282 151 151 ASN CA C 51.675 0.400 1 1283 151 151 ASN CB C 38.384 0.400 1 1284 151 151 ASN N N 126.834 0.400 1 1285 151 151 ASN ND2 N 113.251 0.400 1 1286 152 152 LEU H H 8.762 0.020 1 1287 152 152 LEU HA H 4.553 0.020 1 1288 152 152 LEU HB2 H 2.159 0.020 2 1289 152 152 LEU HB3 H 1.591 0.020 2 1290 152 152 LEU HG H 2.056 0.020 1 1291 152 152 LEU HD1 H 0.895 0.020 2 1292 152 152 LEU HD2 H 1.062 0.020 2 1293 152 152 LEU C C 173.887 0.400 1 1294 152 152 LEU CA C 54.742 0.400 1 1295 152 152 LEU CB C 44.916 0.400 1 1296 152 152 LEU CG C 28.503 0.400 1 1297 152 152 LEU CD1 C 23.153 0.400 1 1298 152 152 LEU CD2 C 27.258 0.400 1 1299 152 152 LEU N N 126.318 0.400 1 1300 153 153 ARG H H 8.374 0.020 1 1301 153 153 ARG HA H 4.093 0.020 1 1302 153 153 ARG HB2 H 1.889 0.020 2 1303 153 153 ARG HB3 H 1.743 0.020 2 1304 153 153 ARG HG2 H 1.655 0.020 2 1305 153 153 ARG HG3 H 1.655 0.020 2 1306 153 153 ARG HD2 H 3.230 0.020 2 1307 153 153 ARG HD3 H 3.230 0.020 2 1308 153 153 ARG C C 176.969 0.400 1 1309 153 153 ARG CA C 57.763 0.400 1 1310 153 153 ARG CB C 31.401 0.400 1 1311 153 153 ARG CG C 27.000 0.400 1 1312 153 153 ARG CD C 43.936 0.400 1 1313 153 153 ARG N N 120.913 0.400 1 1314 154 154 ASP H H 8.278 0.020 1 1315 154 154 ASP HA H 4.450 0.020 1 1316 154 154 ASP HB2 H 2.358 0.020 2 1317 154 154 ASP HB3 H 2.618 0.020 2 1318 154 154 ASP CA C 56.794 0.400 1 1319 154 154 ASP CB C 42.606 0.400 1 1320 154 154 ASP N N 130.875 0.400 1 stop_ save_