data_34333 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the water-soluble LU-domain of human Lypd6 protein ; _BMRB_accession_number 34333 _BMRB_flat_file_name bmr34333.str _Entry_type original _Submission_date 2018-11-29 _Accession_date 2018-11-29 _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 Tsarev A. V. . 2 Kulbatskii D. S. . 3 Paramonov A. S. . 4 Lyukmanova E. N. . 5 Shenkarev Z. O. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 525 "13C chemical shifts" 354 "15N chemical shifts" 97 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-12-13 original BMRB . stop_ _Original_release_date 2018-12-10 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Human Neuromodulator Lypd6 Inhibits A7 type Nicotinic Acetylcholine Receptors and Suppresses the Long-Term Potentiation ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kulbatskii D. S. . 2 Tsarev A. V. . 3 Paramonov A. S. . 4 Loktyushov E. V. . 5 Dolgikh D. A. . 6 Kirpichnikov M. P. . 7 Lyukmanova E. N. . 8 Shenkarev Z. O. . stop_ _Journal_abbreviation 'to be published' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Ly6/PLAUR domain-containing protein 6' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Ly6/PLAUR domain-containing protein 6' _Molecular_mass 10941.329 _Mol_thiol_state . _Details 'N-terminal Met was added due to recombinant production' ############################## # Polymer residue sequence # ############################## _Residue_count 96 _Mol_residue_sequence ; MFKCFTCEKAADNYECNRWA PDIYCPRETRYCYTQHTMEV TGNSISVTKRCVPLEECLST GCRDSEHEGHKVCTSCCEGN ICNLPLPRNETDATFA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 100 MET 2 101 PHE 3 102 LYS 4 103 CYS 5 104 PHE 6 105 THR 7 106 CYS 8 107 GLU 9 108 LYS 10 109 ALA 11 110 ALA 12 111 ASP 13 112 ASN 14 113 TYR 15 114 GLU 16 115 CYS 17 116 ASN 18 117 ARG 19 118 TRP 20 119 ALA 21 120 PRO 22 121 ASP 23 122 ILE 24 123 TYR 25 124 CYS 26 125 PRO 27 126 ARG 28 127 GLU 29 128 THR 30 129 ARG 31 130 TYR 32 131 CYS 33 132 TYR 34 133 THR 35 134 GLN 36 135 HIS 37 136 THR 38 137 MET 39 138 GLU 40 139 VAL 41 140 THR 42 141 GLY 43 142 ASN 44 143 SER 45 144 ILE 46 145 SER 47 146 VAL 48 147 THR 49 148 LYS 50 149 ARG 51 150 CYS 52 151 VAL 53 152 PRO 54 153 LEU 55 154 GLU 56 155 GLU 57 156 CYS 58 157 LEU 59 158 SER 60 159 THR 61 160 GLY 62 161 CYS 63 162 ARG 64 163 ASP 65 164 SER 66 165 GLU 67 166 HIS 68 167 GLU 69 168 GLY 70 169 HIS 71 170 LYS 72 171 VAL 73 172 CYS 74 173 THR 75 174 SER 76 175 CYS 77 176 CYS 78 177 GLU 79 178 GLY 80 179 ASN 81 180 ILE 82 181 CYS 83 182 ASN 84 183 LEU 85 184 PRO 86 185 LEU 87 186 PRO 88 187 ARG 89 188 ASN 90 189 GLU 91 190 THR 92 191 ASP 93 192 ALA 94 193 THR 95 194 PHE 96 195 ALA 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 _Organ _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'Ubiquitous. Highly expressed in brain and heart' 'LYPD6, UNQ3023/PRO9821' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . . . . pET22b(+) pET22b(+)/lypd6 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.1 mM [U-99% 13C; U-99% 15N] Lypd6sh, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.1 mM '[U-99% 13C; U-99% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.1 mM [U-99% 15N] Lypd6sh, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.1 mM '[U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CYANA _Version 3.97 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name TOPSPIN _Version 3.97 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 800 _Details 'with CryoProbe' save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details 'with CryoProbe' save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 5 mM pH 7.0 0.1 pH pressure 1 . atm temperature 303 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio TMS C 13 'methyl carbons' ppm 0 external indirect . . . 0.25144953 water H 1 protons ppm 4.7 internal direct . . . 1 'ammonium chloride' N 15 nitrogen ppm 0 external indirect . . . 0.1013291 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details ; _Systematic_chem_shift_offset 'Spectrometer mismatch' 'all 13C' 13 2.6 0.1 ; loop_ _Experiment_label '3D 1H-15N NOESY' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '3D HNCO' '3D HCCH-TOCSY' '2D 1H-1H TOCSY' stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 100 1 MET HE H 1.715 0.000 1 2 100 1 MET CE C 13.777 0.000 1 3 101 2 PHE HA H 5.147 0.000 1 4 101 2 PHE HB2 H 3.166 0.000 2 5 101 2 PHE HB3 H 2.866 0.000 2 6 101 2 PHE HD1 H 7.036 0.000 1 7 101 2 PHE HD2 H 7.036 0.000 1 8 101 2 PHE HE1 H 7.235 0.000 1 9 101 2 PHE HE2 H 7.235 0.000 1 10 101 2 PHE HZ H 6.918 0.000 1 11 101 2 PHE C C 171.664 0.000 1 12 101 2 PHE CA C 53.410 0.000 1 13 101 2 PHE CB C 38.516 0.000 1 14 101 2 PHE CD1 C 131.035 0.000 1 15 101 2 PHE CE1 C 131.176 0.000 1 16 101 2 PHE CZ C 131.245 0.000 1 17 102 3 LYS H H 8.676 0.000 1 18 102 3 LYS HA H 4.652 0.000 1 19 102 3 LYS HB2 H 1.507 0.000 2 20 102 3 LYS HB3 H 1.408 0.000 2 21 102 3 LYS HG2 H 1.136 0.000 2 22 102 3 LYS HG3 H 1.136 0.000 2 23 102 3 LYS HD2 H 0.697 0.000 2 24 102 3 LYS HD3 H 0.697 0.000 2 25 102 3 LYS C C 174.892 0.000 1 26 102 3 LYS CA C 52.580 0.000 1 27 102 3 LYS CB C 33.384 0.000 1 28 102 3 LYS CG C 26.614 0.000 1 29 102 3 LYS N N 120.216 0.000 1 30 103 4 CYS H H 8.064 0.000 1 31 103 4 CYS HA H 4.893 0.000 1 32 103 4 CYS HB2 H 2.424 0.000 1 33 103 4 CYS HB3 H 3.126 0.000 1 34 103 4 CYS C C 175.847 0.000 1 35 103 4 CYS CA C 50.125 0.000 1 36 103 4 CYS CB C 38.517 0.000 1 37 103 4 CYS N N 117.433 0.000 1 38 104 5 PHE H H 8.885 0.000 1 39 104 5 PHE HA H 4.254 0.000 1 40 104 5 PHE HB2 H 2.806 0.000 2 41 104 5 PHE HB3 H 2.460 0.000 2 42 104 5 PHE HD1 H 6.977 0.000 1 43 104 5 PHE HD2 H 6.977 0.000 1 44 104 5 PHE HE1 H 7.269 0.000 1 45 104 5 PHE HE2 H 7.269 0.000 1 46 104 5 PHE HZ H 7.219 0.000 1 47 104 5 PHE C C 175.292 0.000 1 48 104 5 PHE CA C 59.038 0.000 1 49 104 5 PHE CB C 36.269 0.000 1 50 104 5 PHE CZ C 127.359 0.000 1 51 104 5 PHE N N 122.531 0.000 1 52 105 6 THR H H 7.588 0.000 1 53 105 6 THR HA H 4.749 0.000 1 54 105 6 THR HB H 4.115 0.000 1 55 105 6 THR HG2 H 1.117 0.000 1 56 105 6 THR C C 171.794 0.000 1 57 105 6 THR CA C 56.971 0.000 1 58 105 6 THR CB C 69.900 0.000 1 59 105 6 THR CG2 C 19.519 0.000 1 60 105 6 THR N N 111.777 0.000 1 61 106 7 CYS H H 8.929 0.000 1 62 106 7 CYS HA H 4.808 0.000 1 63 106 7 CYS HB2 H 4.030 0.000 2 64 106 7 CYS HB3 H 3.796 0.000 2 65 106 7 CYS C C 172.297 0.000 1 66 106 7 CYS CA C 53.026 0.000 1 67 106 7 CYS CB C 46.378 0.000 1 68 106 7 CYS N N 114.174 0.000 1 69 107 8 GLU H H 8.808 0.000 1 70 107 8 GLU HA H 4.710 0.000 1 71 107 8 GLU HB2 H 1.846 0.000 2 72 107 8 GLU HB3 H 1.947 0.000 2 73 107 8 GLU HG2 H 2.437 0.000 2 74 107 8 GLU HG3 H 2.207 0.000 2 75 107 8 GLU C C 173.717 0.000 1 76 107 8 GLU CA C 52.809 0.000 1 77 107 8 GLU CB C 28.360 0.000 1 78 107 8 GLU CG C 34.697 0.000 1 79 107 8 GLU N N 121.357 0.000 1 80 108 9 LYS H H 8.455 0.000 1 81 108 9 LYS HA H 3.544 0.000 1 82 108 9 LYS HB2 H 1.871 0.000 2 83 108 9 LYS HB3 H 1.871 0.000 2 84 108 9 LYS HG2 H 1.366 0.000 2 85 108 9 LYS HG3 H 1.194 0.000 2 86 108 9 LYS HD2 H 1.666 0.000 2 87 108 9 LYS HD3 H 1.666 0.000 2 88 108 9 LYS HE2 H 2.968 0.000 2 89 108 9 LYS HE3 H 2.968 0.000 2 90 108 9 LYS C C 175.538 0.000 1 91 108 9 LYS CA C 54.863 0.000 1 92 108 9 LYS CB C 27.293 0.000 1 93 108 9 LYS CG C 22.759 0.000 1 94 108 9 LYS N N 124.054 0.000 1 95 109 10 ALA H H 8.797 0.000 1 96 109 10 ALA HA H 4.495 0.000 1 97 109 10 ALA HB H 1.539 0.000 1 98 109 10 ALA C C 177.965 0.000 1 99 109 10 ALA CA C 48.926 0.000 1 100 109 10 ALA CB C 18.279 0.000 1 101 109 10 ALA N N 122.443 0.000 1 102 110 11 ALA H H 8.766 0.000 1 103 110 11 ALA HA H 4.047 0.000 1 104 110 11 ALA HB H 1.358 0.000 1 105 110 11 ALA C C 176.041 0.000 1 106 110 11 ALA CA C 51.664 0.000 1 107 110 11 ALA CB C 17.116 0.000 1 108 110 11 ALA N N 120.685 0.000 1 109 111 12 ASP H H 7.094 0.000 1 110 111 12 ASP HA H 4.182 0.000 1 111 111 12 ASP HB2 H 2.986 0.000 2 112 111 12 ASP HB3 H 2.986 0.000 2 113 111 12 ASP C C 175.499 0.000 1 114 111 12 ASP CA C 49.843 0.000 1 115 111 12 ASP CB C 38.841 0.000 1 116 111 12 ASP N N 105.557 0.000 1 117 112 13 ASN H H 8.713 0.000 1 118 112 13 ASN HA H 4.210 0.000 1 119 112 13 ASN HB2 H 2.350 0.000 2 120 112 13 ASN HB3 H 2.350 0.000 2 121 112 13 ASN HD21 H 7.058 0.000 2 122 112 13 ASN HD22 H 7.175 0.000 2 123 112 13 ASN C C 176.273 0.000 1 124 112 13 ASN CA C 53.013 0.000 1 125 112 13 ASN CB C 36.849 0.000 1 126 112 13 ASN N N 116.583 0.000 1 127 112 13 ASN ND2 N 109.990 0.000 1 128 113 14 TYR H H 7.830 0.000 1 129 113 14 TYR HA H 3.910 0.000 1 130 113 14 TYR HB2 H 2.993 0.000 2 131 113 14 TYR HB3 H 2.993 0.000 2 132 113 14 TYR HD1 H 7.057 0.000 1 133 113 14 TYR HD2 H 7.057 0.000 1 134 113 14 TYR HE1 H 6.774 0.000 1 135 113 14 TYR HE2 H 6.774 0.000 1 136 113 14 TYR C C 177.836 0.000 1 137 113 14 TYR CA C 57.990 0.000 1 138 113 14 TYR CB C 34.629 0.000 1 139 113 14 TYR N N 117.920 0.000 1 140 114 15 GLU H H 9.100 0.000 1 141 114 15 GLU HA H 3.778 0.000 1 142 114 15 GLU HB2 H 2.124 0.000 2 143 114 15 GLU HB3 H 2.050 0.000 2 144 114 15 GLU HG2 H 2.472 0.000 2 145 114 15 GLU HG3 H 2.472 0.000 2 146 114 15 GLU C C 178.210 0.000 1 147 114 15 GLU CA C 56.028 0.000 1 148 114 15 GLU CB C 27.379 0.000 1 149 114 15 GLU CG C 33.775 0.000 1 150 114 15 GLU N N 119.249 0.000 1 151 115 16 CYS H H 7.568 0.000 1 152 115 16 CYS HA H 3.991 0.000 1 153 115 16 CYS HB2 H 2.784 0.000 1 154 115 16 CYS HB3 H 3.114 0.000 1 155 115 16 CYS C C 174.840 0.000 1 156 115 16 CYS CA C 56.732 0.000 1 157 115 16 CYS CB C 42.087 0.000 1 158 115 16 CYS N N 115.365 0.000 1 159 116 17 ASN H H 7.668 0.000 1 160 116 17 ASN HA H 4.208 0.000 1 161 116 17 ASN HB2 H 2.362 0.000 2 162 116 17 ASN HB3 H 2.159 0.000 2 163 116 17 ASN HD21 H 6.870 0.000 2 164 116 17 ASN HD22 H 5.881 0.000 2 165 116 17 ASN C C 177.242 0.000 1 166 116 17 ASN CA C 51.533 0.000 1 167 116 17 ASN CB C 33.715 0.000 1 168 116 17 ASN N N 114.765 0.000 1 169 116 17 ASN ND2 N 105.654 0.000 1 170 117 18 ARG H H 7.910 0.000 1 171 117 18 ARG HA H 3.769 0.000 1 172 117 18 ARG HB2 H 1.061 0.000 2 173 117 18 ARG HB3 H 1.328 0.000 2 174 117 18 ARG HG2 H 0.846 0.000 2 175 117 18 ARG HG3 H 0.846 0.000 2 176 117 18 ARG HD2 H 2.497 0.000 2 177 117 18 ARG HD3 H 2.497 0.000 2 178 117 18 ARG C C 176.700 0.000 1 179 117 18 ARG CA C 55.503 0.000 1 180 117 18 ARG CB C 26.725 0.000 1 181 117 18 ARG N N 119.428 0.000 1 182 118 19 TRP H H 7.032 0.000 1 183 118 19 TRP HA H 4.858 0.000 1 184 118 19 TRP HB2 H 3.259 0.000 1 185 118 19 TRP HB3 H 3.574 0.000 1 186 118 19 TRP HD1 H 7.448 0.000 1 187 118 19 TRP HE1 H 10.118 0.000 1 188 118 19 TRP HE3 H 7.781 0.000 1 189 118 19 TRP HZ2 H 7.481 0.000 1 190 118 19 TRP HZ3 H 7.137 0.000 1 191 118 19 TRP HH2 H 7.223 0.000 1 192 118 19 TRP C C 175.241 0.000 1 193 118 19 TRP CA C 53.160 0.000 1 194 118 19 TRP CB C 26.431 0.000 1 195 118 19 TRP CD1 C 126.452 0.000 1 196 118 19 TRP CE3 C 118.926 0.000 1 197 118 19 TRP CZ2 C 112.503 0.000 1 198 118 19 TRP CZ3 C 119.930 0.000 1 199 118 19 TRP CH2 C 122.617 0.000 1 200 118 19 TRP N N 117.550 0.000 1 201 118 19 TRP NE1 N 128.713 0.000 1 202 119 20 ALA H H 7.567 0.000 1 203 119 20 ALA HA H 4.730 0.000 1 204 119 20 ALA HB H 1.714 0.000 1 205 119 20 ALA CA C 48.003 0.000 1 206 119 20 ALA CB C 16.159 0.000 1 207 119 20 ALA N N 125.754 0.000 1 208 120 21 PRO HA H 4.339 0.000 1 209 120 21 PRO HB2 H 1.765 0.000 2 210 120 21 PRO HB3 H 2.230 0.000 2 211 120 21 PRO HG2 H 1.911 0.000 2 212 120 21 PRO HG3 H 1.833 0.000 2 213 120 21 PRO HD2 H 3.685 0.000 2 214 120 21 PRO HD3 H 3.752 0.000 2 215 120 21 PRO C C 176.570 0.000 1 216 120 21 PRO CA C 59.865 0.000 1 217 120 21 PRO CB C 29.211 0.000 1 218 120 21 PRO CG C 24.528 0.000 1 219 120 21 PRO CD C 48.012 0.000 1 220 121 22 ASP H H 8.762 0.000 1 221 121 22 ASP HA H 4.493 0.000 1 222 121 22 ASP HB2 H 2.451 0.000 2 223 121 22 ASP HB3 H 2.633 0.000 2 224 121 22 ASP C C 174.518 0.000 1 225 121 22 ASP CA C 50.515 0.000 1 226 121 22 ASP CB C 36.939 0.000 1 227 121 22 ASP N N 123.410 0.000 1 228 122 23 ILE H H 7.172 0.000 1 229 122 23 ILE HA H 4.390 0.000 1 230 122 23 ILE HB H 1.817 0.000 1 231 122 23 ILE HG12 H 1.266 0.000 2 232 122 23 ILE HG13 H 1.266 0.000 2 233 122 23 ILE HG2 H 0.870 0.000 1 234 122 23 ILE HD1 H 0.814 0.000 1 235 122 23 ILE C C 174.621 0.000 1 236 122 23 ILE CA C 56.169 0.000 1 237 122 23 ILE CB C 38.838 0.000 1 238 122 23 ILE CG1 C 22.921 0.000 1 239 122 23 ILE CG2 C 17.709 0.000 1 240 122 23 ILE CD1 C 14.933 0.000 1 241 122 23 ILE N N 116.379 0.000 1 242 123 24 TYR H H 8.179 0.000 1 243 123 24 TYR HA H 4.219 0.000 1 244 123 24 TYR HB2 H 2.625 0.000 1 245 123 24 TYR HB3 H 2.910 0.000 1 246 123 24 TYR HD1 H 6.897 0.000 1 247 123 24 TYR HD2 H 6.897 0.000 1 248 123 24 TYR HE1 H 6.647 0.000 1 249 123 24 TYR HE2 H 6.647 0.000 1 250 123 24 TYR C C 176.403 0.000 1 251 123 24 TYR CA C 55.899 0.000 1 252 123 24 TYR CB C 36.350 0.000 1 253 123 24 TYR CD1 C 130.991 0.000 1 254 123 24 TYR CE1 C 116.183 0.000 1 255 123 24 TYR N N 120.568 0.000 1 256 124 25 CYS H H 8.848 0.000 1 257 124 25 CYS HA H 4.784 0.000 1 258 124 25 CYS HB2 H 3.088 0.000 2 259 124 25 CYS HB3 H 1.692 0.000 2 260 124 25 CYS CA C 49.597 0.000 1 261 124 25 CYS CB C 33.903 0.000 1 262 124 25 CYS N N 119.982 0.000 1 263 125 26 PRO HA H 4.299 0.000 1 264 125 26 PRO HB2 H 1.392 0.000 2 265 125 26 PRO HB3 H 1.105 0.000 2 266 125 26 PRO HG2 H 1.059 0.000 2 267 125 26 PRO HG3 H 0.906 0.000 2 268 125 26 PRO HD2 H 3.790 0.000 2 269 125 26 PRO HD3 H 3.790 0.000 2 270 125 26 PRO C C 174.563 0.000 1 271 125 26 PRO CA C 58.094 0.000 1 272 125 26 PRO CB C 24.526 0.000 1 273 125 26 PRO CG C 24.211 0.000 1 274 126 27 ARG H H 8.339 0.000 1 275 126 27 ARG HA H 4.119 0.000 1 276 126 27 ARG HB2 H 1.857 0.000 2 277 126 27 ARG HB3 H 1.857 0.000 2 278 126 27 ARG HG2 H 2.172 0.000 2 279 126 27 ARG HG3 H 2.172 0.000 2 280 126 27 ARG C C 176.306 0.000 1 281 126 27 ARG CA C 56.202 0.000 1 282 126 27 ARG CB C 27.270 0.000 1 283 126 27 ARG N N 121.918 0.000 1 284 127 28 GLU H H 8.993 0.000 1 285 127 28 GLU HA H 4.256 0.000 1 286 127 28 GLU HB2 H 2.158 0.000 2 287 127 28 GLU HB3 H 2.026 0.000 2 288 127 28 GLU HG2 H 2.261 0.000 2 289 127 28 GLU HG3 H 2.261 0.000 2 290 127 28 GLU C C 176.132 0.000 1 291 127 28 GLU CA C 54.988 0.000 1 292 127 28 GLU CB C 25.227 0.000 1 293 127 28 GLU CG C 33.765 0.000 1 294 127 28 GLU N N 116.116 0.000 1 295 128 29 THR H H 7.729 0.000 1 296 128 29 THR HA H 4.116 0.000 1 297 128 29 THR HB H 3.999 0.000 1 298 128 29 THR HG2 H 0.913 0.000 1 299 128 29 THR C C 172.646 0.000 1 300 128 29 THR CA C 58.410 0.000 1 301 128 29 THR CB C 68.617 0.000 1 302 128 29 THR CG2 C 20.368 0.000 1 303 128 29 THR N N 109.691 0.000 1 304 129 30 ARG H H 7.926 0.000 1 305 129 30 ARG HA H 4.347 0.000 1 306 129 30 ARG HB2 H 1.439 0.000 2 307 129 30 ARG HB3 H 1.191 0.000 2 308 129 30 ARG HG2 H 1.214 0.000 2 309 129 30 ARG HG3 H 0.931 0.000 2 310 129 30 ARG C C 172.994 0.000 1 311 129 30 ARG CA C 53.868 0.000 1 312 129 30 ARG CB C 32.190 0.000 1 313 129 30 ARG N N 117.930 0.000 1 314 130 31 TYR H H 8.461 0.000 1 315 130 31 TYR HA H 5.037 0.000 1 316 130 31 TYR HB2 H 3.158 0.000 2 317 130 31 TYR HB3 H 2.610 0.000 2 318 130 31 TYR HD1 H 6.801 0.000 1 319 130 31 TYR HD2 H 6.801 0.000 1 320 130 31 TYR HE1 H 6.614 0.000 1 321 130 31 TYR HE2 H 6.614 0.000 1 322 130 31 TYR C C 174.686 0.000 1 323 130 31 TYR CA C 53.877 0.000 1 324 130 31 TYR CB C 39.954 0.000 1 325 130 31 TYR CD1 C 131.050 0.000 1 326 130 31 TYR CE1 C 115.584 0.000 1 327 130 31 TYR N N 116.875 0.000 1 328 131 32 CYS H H 9.250 0.000 1 329 131 32 CYS HA H 5.884 0.000 1 330 131 32 CYS HB2 H 3.318 0.000 1 331 131 32 CYS HB3 H 3.197 0.000 1 332 131 32 CYS C C 173.872 0.000 1 333 131 32 CYS CA C 49.838 0.000 1 334 131 32 CYS CB C 34.562 0.000 1 335 131 32 CYS N N 116.158 0.000 1 336 132 33 TYR H H 9.517 0.000 1 337 132 33 TYR HA H 5.545 0.000 1 338 132 33 TYR HB2 H 3.180 0.000 2 339 132 33 TYR HB3 H 2.769 0.000 2 340 132 33 TYR HD1 H 6.866 0.000 1 341 132 33 TYR HD2 H 6.866 0.000 1 342 132 33 TYR HE1 H 6.717 0.000 1 343 132 33 TYR HE2 H 6.717 0.000 1 344 132 33 TYR C C 175.279 0.000 1 345 132 33 TYR CA C 54.037 0.000 1 346 132 33 TYR CB C 40.804 0.000 1 347 132 33 TYR CD1 C 130.921 0.000 1 348 132 33 TYR CE1 C 116.038 0.000 1 349 132 33 TYR N N 128.160 0.000 1 350 133 34 THR H H 8.327 0.000 1 351 133 34 THR HA H 4.938 0.000 1 352 133 34 THR HB H 3.785 0.000 1 353 133 34 THR HG2 H 0.990 0.000 1 354 133 34 THR C C 170.696 0.000 1 355 133 34 THR CA C 59.181 0.000 1 356 133 34 THR CB C 68.370 0.000 1 357 133 34 THR CG2 C 21.392 0.000 1 358 133 34 THR N N 124.242 0.000 1 359 134 35 GLN H H 9.564 0.000 1 360 134 35 GLN HA H 4.888 0.000 1 361 134 35 GLN HB2 H 2.061 0.000 2 362 134 35 GLN HB3 H 1.978 0.000 2 363 134 35 GLN HG2 H 1.873 0.000 2 364 134 35 GLN HG3 H 2.000 0.000 2 365 134 35 GLN HE21 H 7.340 0.000 1 366 134 35 GLN HE22 H 6.939 0.000 1 367 134 35 GLN C C 173.511 0.000 1 368 134 35 GLN CA C 52.354 0.000 1 369 134 35 GLN CB C 29.978 0.000 1 370 134 35 GLN N N 125.344 0.000 1 371 134 35 GLN NE2 N 112.657 0.000 1 372 135 36 HIS H H 9.589 0.000 1 373 135 36 HIS HA H 5.541 0.000 1 374 135 36 HIS HB2 H 3.300 0.000 2 375 135 36 HIS HB3 H 2.563 0.000 2 376 135 36 HIS C C 172.781 0.000 1 377 135 36 HIS CA C 49.592 0.000 1 378 135 36 HIS CB C 32.480 0.000 1 379 135 36 HIS N N 130.022 0.000 1 380 136 37 THR H H 9.283 0.000 1 381 136 37 THR HA H 4.996 0.000 1 382 136 37 THR HB H 3.928 0.000 1 383 136 37 THR HG2 H 0.962 0.000 1 384 136 37 THR C C 172.581 0.000 1 385 136 37 THR CA C 59.786 0.000 1 386 136 37 THR CB C 66.089 0.000 1 387 136 37 THR CG2 C 18.081 0.000 1 388 136 37 THR N N 125.805 0.000 1 389 137 38 MET H H 9.349 0.000 1 390 137 38 MET HA H 4.856 0.000 1 391 137 38 MET HB2 H 1.579 0.000 2 392 137 38 MET HB3 H 1.480 0.000 2 393 137 38 MET HG2 H 1.416 0.000 2 394 137 38 MET HG3 H 1.416 0.000 2 395 137 38 MET HE H 1.685 0.000 1 396 137 38 MET C C 174.556 0.000 1 397 137 38 MET CA C 51.321 0.000 1 398 137 38 MET CB C 35.214 0.000 1 399 137 38 MET CE C 14.933 0.000 1 400 137 38 MET N N 126.662 0.000 1 401 138 39 GLU H H 8.453 0.000 1 402 138 39 GLU HA H 4.729 0.000 1 403 138 39 GLU HB2 H 2.217 0.000 2 404 138 39 GLU HB3 H 2.217 0.000 2 405 138 39 GLU HG2 H 2.216 0.000 2 406 138 39 GLU HG3 H 2.216 0.000 2 407 138 39 GLU C C 179.036 0.000 1 408 138 39 GLU CA C 52.809 0.000 1 409 138 39 GLU CB C 28.619 0.000 1 410 138 39 GLU CG C 33.540 0.000 1 411 138 39 GLU N N 118.194 0.000 1 412 139 40 VAL H H 8.659 0.000 1 413 139 40 VAL HA H 3.816 0.000 1 414 139 40 VAL HB H 2.215 0.000 1 415 139 40 VAL HG1 H 1.007 0.000 2 416 139 40 VAL HG2 H 0.733 0.000 2 417 139 40 VAL C C 176.196 0.000 1 418 139 40 VAL CA C 62.951 0.000 1 419 139 40 VAL CB C 28.921 0.000 1 420 139 40 VAL CG1 C 18.073 0.000 1 421 139 40 VAL CG2 C 19.444 0.000 1 422 139 40 VAL N N 120.597 0.000 1 423 140 41 THR H H 7.324 0.000 1 424 140 41 THR HA H 4.225 0.000 1 425 140 41 THR HB H 4.261 0.000 1 426 140 41 THR HG2 H 1.255 0.000 1 427 140 41 THR C C 175.460 0.000 1 428 140 41 THR CA C 59.199 0.000 1 429 140 41 THR CB C 66.961 0.000 1 430 140 41 THR CG2 C 19.515 0.000 1 431 140 41 THR N N 107.675 0.000 1 432 141 42 GLY H H 8.110 0.000 1 433 141 42 GLY HA2 H 4.488 0.000 2 434 141 42 GLY HA3 H 3.615 0.000 2 435 141 42 GLY C C 173.627 0.000 1 436 141 42 GLY CA C 42.493 0.000 1 437 141 42 GLY N N 109.106 0.000 1 438 142 43 ASN H H 7.919 0.000 1 439 142 43 ASN HA H 4.673 0.000 1 440 142 43 ASN HB2 H 2.734 0.000 2 441 142 43 ASN HB3 H 2.655 0.000 2 442 142 43 ASN HD21 H 7.570 0.000 1 443 142 43 ASN HD22 H 6.942 0.000 1 444 142 43 ASN C C 175.408 0.000 1 445 142 43 ASN CA C 50.772 0.000 1 446 142 43 ASN CB C 35.628 0.000 1 447 142 43 ASN N N 119.114 0.000 1 448 142 43 ASN ND2 N 113.565 0.000 1 449 143 44 SER H H 8.802 0.000 1 450 143 44 SER HA H 4.485 0.000 1 451 143 44 SER HB2 H 3.871 0.000 2 452 143 44 SER HB3 H 3.797 0.000 2 453 143 44 SER C C 173.240 0.000 1 454 143 44 SER CA C 58.430 0.000 1 455 143 44 SER CB C 61.220 0.000 1 456 143 44 SER N N 119.541 0.000 1 457 144 45 ILE H H 9.137 0.000 1 458 144 45 ILE HA H 4.265 0.000 1 459 144 45 ILE HB H 1.311 0.000 1 460 144 45 ILE HG12 H 0.885 0.000 2 461 144 45 ILE HG13 H 0.804 0.000 2 462 144 45 ILE HG2 H 0.689 0.000 1 463 144 45 ILE HD1 H 0.343 0.000 1 464 144 45 ILE C C 175.292 0.000 1 465 144 45 ILE CA C 58.580 0.000 1 466 144 45 ILE CB C 36.447 0.000 1 467 144 45 ILE CG1 C 23.754 0.000 1 468 144 45 ILE CG2 C 14.055 0.000 1 469 144 45 ILE CD1 C 8.588 0.000 1 470 144 45 ILE N N 122.207 0.000 1 471 145 46 SER H H 7.760 0.000 1 472 145 46 SER HA H 4.994 0.000 1 473 145 46 SER HB2 H 3.575 0.000 2 474 145 46 SER HB3 H 3.575 0.000 2 475 145 46 SER C C 172.588 0.000 1 476 145 46 SER CA C 55.239 0.000 1 477 145 46 SER CB C 62.441 0.000 1 478 145 46 SER N N 110.430 0.000 1 479 146 47 VAL H H 9.125 0.000 1 480 146 47 VAL HA H 4.801 0.000 1 481 146 47 VAL HB H 1.668 0.000 1 482 146 47 VAL HG1 H 0.633 0.000 2 483 146 47 VAL HG2 H 0.790 0.000 2 484 146 47 VAL C C 172.943 0.000 1 485 146 47 VAL CA C 58.827 0.000 1 486 146 47 VAL CB C 33.384 0.000 1 487 146 47 VAL CG1 C 19.270 0.000 1 488 146 47 VAL CG2 C 20.380 0.000 1 489 146 47 VAL N N 125.441 0.000 1 490 147 48 THR H H 8.828 0.000 1 491 147 48 THR HA H 4.921 0.000 1 492 147 48 THR HB H 4.018 0.000 1 493 147 48 THR HG2 H 1.465 0.000 1 494 147 48 THR C C 172.065 0.000 1 495 147 48 THR CA C 59.146 0.000 1 496 147 48 THR CB C 71.156 0.000 1 497 147 48 THR CG2 C 19.390 0.000 1 498 147 48 THR N N 123.679 0.000 1 499 148 49 LYS H H 9.396 0.000 1 500 148 49 LYS HA H 5.758 0.000 1 501 148 49 LYS HB2 H 1.476 0.000 2 502 148 49 LYS HB3 H 2.017 0.000 2 503 148 49 LYS HG2 H 1.597 0.000 2 504 148 49 LYS HG3 H 1.597 0.000 2 505 148 49 LYS HD2 H 1.201 0.000 2 506 148 49 LYS HD3 H 1.201 0.000 2 507 148 49 LYS HE2 H 3.352 0.000 2 508 148 49 LYS HE3 H 3.352 0.000 2 509 148 49 LYS C C 176.299 0.000 1 510 148 49 LYS CA C 53.179 0.000 1 511 148 49 LYS CB C 35.055 0.000 1 512 148 49 LYS N N 127.198 0.000 1 513 149 50 ARG H H 8.794 0.000 1 514 149 50 ARG HA H 4.909 0.000 1 515 149 50 ARG HB2 H 2.818 0.000 2 516 149 50 ARG HB3 H 1.737 0.000 2 517 149 50 ARG HG2 H 2.124 0.000 2 518 149 50 ARG HG3 H 1.332 0.000 2 519 149 50 ARG HE H 7.772 0.000 1 520 149 50 ARG C C 174.531 0.000 1 521 149 50 ARG CA C 52.898 0.000 1 522 149 50 ARG CB C 33.476 0.000 1 523 149 50 ARG N N 118.904 0.000 1 524 149 50 ARG NE N 84.795 0.000 1 525 150 51 CYS H H 8.816 0.000 1 526 150 51 CYS HA H 5.553 0.000 1 527 150 51 CYS HB2 H 3.343 0.000 1 528 150 51 CYS HB3 H 3.136 0.000 1 529 150 51 CYS C C 175.551 0.000 1 530 150 51 CYS CA C 53.908 0.000 1 531 150 51 CYS CB C 40.680 0.000 1 532 150 51 CYS N N 121.098 0.000 1 533 151 52 VAL H H 9.528 0.000 1 534 151 52 VAL HA H 5.168 0.000 1 535 151 52 VAL HB H 2.303 0.000 1 536 151 52 VAL HG1 H 0.961 0.000 2 537 151 52 VAL HG2 H 0.505 0.000 2 538 151 52 VAL CA C 55.988 0.000 1 539 151 52 VAL CB C 32.507 0.000 1 540 151 52 VAL CG1 C 18.437 0.000 1 541 151 52 VAL CG2 C 20.020 0.000 1 542 151 52 VAL N N 113.948 0.000 1 543 152 53 PRO HA H 4.473 0.000 1 544 152 53 PRO HB2 H 2.503 0.000 2 545 152 53 PRO HB3 H 1.865 0.000 2 546 152 53 PRO HG2 H 2.035 0.000 2 547 152 53 PRO HG3 H 1.716 0.000 2 548 152 53 PRO HD2 H 3.573 0.000 2 549 152 53 PRO HD3 H 3.298 0.000 2 550 152 53 PRO C C 174.957 0.000 1 551 152 53 PRO CA C 59.647 0.000 1 552 152 53 PRO CB C 29.928 0.000 1 553 152 53 PRO CG C 24.714 0.000 1 554 152 53 PRO CD C 48.013 0.000 1 555 153 54 LEU H H 8.796 0.000 1 556 153 54 LEU HA H 3.704 0.000 1 557 153 54 LEU HB2 H 1.711 0.000 2 558 153 54 LEU HB3 H 1.711 0.000 2 559 153 54 LEU HG H 1.455 0.000 1 560 153 54 LEU HD1 H 0.903 0.000 2 561 153 54 LEU HD2 H 0.824 0.000 2 562 153 54 LEU C C 177.719 0.000 1 563 153 54 LEU CA C 56.131 0.000 1 564 153 54 LEU CB C 39.711 0.000 1 565 153 54 LEU CG C 24.307 0.000 1 566 153 54 LEU CD1 C 22.911 0.000 1 567 153 54 LEU CD2 C 20.481 0.000 1 568 153 54 LEU N N 118.889 0.000 1 569 154 55 GLU H H 9.248 0.000 1 570 154 55 GLU HA H 3.782 0.000 1 571 154 55 GLU HB2 H 1.997 0.000 2 572 154 55 GLU HB3 H 1.997 0.000 2 573 154 55 GLU HG2 H 2.211 0.000 2 574 154 55 GLU HG3 H 1.468 0.000 2 575 154 55 GLU C C 177.719 0.000 1 576 154 55 GLU CA C 57.851 0.000 1 577 154 55 GLU CB C 25.877 0.000 1 578 154 55 GLU N N 114.030 0.000 1 579 155 56 GLU H H 7.222 0.000 1 580 155 56 GLU HA H 4.323 0.000 1 581 155 56 GLU HB2 H 2.131 0.000 2 582 155 56 GLU HB3 H 1.634 0.000 2 583 155 56 GLU HG2 H 2.024 0.000 2 584 155 56 GLU HG3 H 2.024 0.000 2 585 155 56 GLU C C 176.725 0.000 1 586 155 56 GLU CA C 54.370 0.000 1 587 155 56 GLU CB C 26.814 0.000 1 588 155 56 GLU CG C 33.953 0.000 1 589 155 56 GLU N N 116.349 0.000 1 590 156 57 CYS H H 8.135 0.000 1 591 156 57 CYS HA H 4.566 0.000 1 592 156 57 CYS HB2 H 2.326 0.000 1 593 156 57 CYS HB3 H 2.625 0.000 1 594 156 57 CYS C C 174.247 0.000 1 595 156 57 CYS CA C 51.700 0.000 1 596 156 57 CYS CB C 37.852 0.000 1 597 156 57 CYS N N 116.359 0.000 1 598 157 58 LEU H H 7.275 0.000 1 599 157 58 LEU HA H 4.226 0.000 1 600 157 58 LEU HB2 H 1.677 0.000 2 601 157 58 LEU HB3 H 1.597 0.000 2 602 157 58 LEU HG H 1.673 0.000 1 603 157 58 LEU HD1 H 0.880 0.000 2 604 157 58 LEU HD2 H 0.730 0.000 2 605 157 58 LEU C C 176.919 0.000 1 606 157 58 LEU CA C 53.326 0.000 1 607 157 58 LEU CB C 38.821 0.000 1 608 157 58 LEU CG C 23.673 0.000 1 609 157 58 LEU CD1 C 22.520 0.000 1 610 157 58 LEU CD2 C 19.192 0.000 1 611 157 58 LEU N N 119.248 0.000 1 612 158 59 SER H H 8.052 0.000 1 613 158 59 SER HA H 4.735 0.000 1 614 158 59 SER HB2 H 3.773 0.000 2 615 158 59 SER HB3 H 3.707 0.000 2 616 158 59 SER C C 174.389 0.000 1 617 158 59 SER CA C 53.712 0.000 1 618 158 59 SER CB C 60.248 0.000 1 619 158 59 SER N N 115.176 0.000 1 620 159 60 THR H H 7.626 0.000 1 621 159 60 THR HA H 4.135 0.000 1 622 159 60 THR HB H 4.345 0.000 1 623 159 60 THR HG2 H 1.082 0.000 1 624 159 60 THR C C 173.704 0.000 1 625 159 60 THR CA C 58.827 0.000 1 626 159 60 THR CB C 67.461 0.000 1 627 159 60 THR CG2 C 19.334 0.000 1 628 159 60 THR N N 113.276 0.000 1 629 160 61 GLY H H 8.220 0.000 1 630 160 61 GLY HA2 H 4.723 0.000 2 631 160 61 GLY HA3 H 3.966 0.000 2 632 160 61 GLY C C 173.795 0.000 1 633 160 61 GLY CA C 41.381 0.000 1 634 160 61 GLY N N 108.242 0.000 1 635 161 62 CYS H H 9.071 0.000 1 636 161 62 CYS HA H 5.913 0.000 1 637 161 62 CYS HB2 H 3.029 0.000 1 638 161 62 CYS HB3 H 2.587 0.000 1 639 161 62 CYS C C 173.214 0.000 1 640 161 62 CYS CA C 52.861 0.000 1 641 161 62 CYS CB C 45.165 0.000 1 642 161 62 CYS N N 117.775 0.000 1 643 162 63 ARG H H 8.968 0.000 1 644 162 63 ARG HA H 4.706 0.000 1 645 162 63 ARG HB2 H 1.863 0.000 2 646 162 63 ARG HB3 H 1.736 0.000 2 647 162 63 ARG HG2 H 1.556 0.000 2 648 162 63 ARG HG3 H 1.427 0.000 2 649 162 63 ARG HD2 H 3.129 0.000 2 650 162 63 ARG HD3 H 3.129 0.000 2 651 162 63 ARG C C 174.324 0.000 1 652 162 63 ARG CA C 51.611 0.000 1 653 162 63 ARG CB C 30.547 0.000 1 654 162 63 ARG CG C 23.473 0.000 1 655 162 63 ARG N N 120.791 0.000 1 656 163 64 ASP H H 8.599 0.000 1 657 163 64 ASP HA H 4.817 0.000 1 658 163 64 ASP HB2 H 2.739 0.000 2 659 163 64 ASP HB3 H 2.472 0.000 2 660 163 64 ASP C C 176.261 0.000 1 661 163 64 ASP CA C 52.418 0.000 1 662 163 64 ASP CB C 38.357 0.000 1 663 163 64 ASP N N 121.862 0.000 1 664 164 65 SER H H 8.205 0.000 1 665 164 65 SER HA H 4.426 0.000 1 666 164 65 SER HB2 H 3.828 0.000 2 667 164 65 SER HB3 H 3.747 0.000 2 668 164 65 SER C C 174.066 0.000 1 669 164 65 SER CA C 54.166 0.000 1 670 164 65 SER CB C 61.053 0.000 1 671 164 65 SER N N 116.437 0.000 1 672 165 66 GLU H H 8.753 0.000 1 673 165 66 GLU HA H 4.041 0.000 1 674 165 66 GLU HB2 H 1.903 0.000 2 675 165 66 GLU HB3 H 1.903 0.000 2 676 165 66 GLU HG2 H 2.171 0.000 2 677 165 66 GLU HG3 H 2.093 0.000 2 678 165 66 GLU CA C 55.958 0.000 1 679 165 66 GLU CB C 26.424 0.000 1 680 165 66 GLU CG C 33.387 0.000 1 681 165 66 GLU N N 123.629 0.000 1 682 166 67 HIS HA H 4.835 0.000 1 683 166 67 HIS HB2 H 2.013 0.000 2 684 166 67 HIS HB3 H 2.013 0.000 2 685 166 67 HIS C C 174.169 0.000 1 686 166 67 HIS CA C 53.076 0.000 1 687 166 67 HIS CB C 26.934 0.000 1 688 167 68 GLU H H 8.263 0.000 1 689 167 68 GLU HA H 4.016 0.000 1 690 167 68 GLU HB2 H 1.723 0.000 2 691 167 68 GLU HB3 H 1.723 0.000 2 692 167 68 GLU C C 176.540 0.000 1 693 167 68 GLU CA C 54.885 0.000 1 694 167 68 GLU CB C 26.701 0.000 1 695 167 68 GLU N N 122.993 0.000 1 696 168 69 GLY H H 8.471 0.000 1 697 168 69 GLY HA2 H 4.116 0.000 2 698 168 69 GLY HA3 H 3.744 0.000 2 699 168 69 GLY C C 173.937 0.000 1 700 168 69 GLY CA C 43.055 0.000 1 701 168 69 GLY N N 110.946 0.000 1 702 169 70 HIS H H 7.762 0.000 1 703 169 70 HIS HA H 5.411 0.000 1 704 169 70 HIS HB2 H 3.144 0.000 1 705 169 70 HIS HB3 H 2.836 0.000 1 706 169 70 HIS C C 174.634 0.000 1 707 169 70 HIS CA C 50.798 0.000 1 708 169 70 HIS CB C 30.327 0.000 1 709 169 70 HIS N N 117.780 0.000 1 710 170 71 LYS H H 9.002 0.000 1 711 170 71 LYS HA H 4.878 0.000 1 712 170 71 LYS HB2 H 1.608 0.000 2 713 170 71 LYS HB3 H 1.608 0.000 2 714 170 71 LYS HG2 H 1.270 0.000 2 715 170 71 LYS HG3 H 1.270 0.000 2 716 170 71 LYS HD2 H 1.504 0.000 2 717 170 71 LYS HD3 H 1.504 0.000 2 718 170 71 LYS HE2 H 2.851 0.000 2 719 170 71 LYS HE3 H 2.851 0.000 2 720 170 71 LYS C C 173.756 0.000 1 721 170 71 LYS CA C 52.125 0.000 1 722 170 71 LYS CB C 33.116 0.000 1 723 170 71 LYS CG C 21.760 0.000 1 724 170 71 LYS CD C 26.574 0.000 1 725 170 71 LYS CE C 39.174 0.000 1 726 170 71 LYS N N 123.099 0.000 1 727 171 72 VAL H H 9.016 0.000 1 728 171 72 VAL HA H 5.036 0.000 1 729 171 72 VAL HB H 1.875 0.000 1 730 171 72 VAL HG1 H 0.879 0.000 2 731 171 72 VAL HG2 H 0.759 0.000 2 732 171 72 VAL C C 176.351 0.000 1 733 171 72 VAL CA C 57.612 0.000 1 734 171 72 VAL CB C 31.616 0.000 1 735 171 72 VAL CG1 C 18.121 0.000 1 736 171 72 VAL CG2 C 17.729 0.000 1 737 171 72 VAL N N 122.990 0.000 1 738 172 73 CYS H H 9.201 0.000 1 739 172 73 CYS HA H 5.688 0.000 1 740 172 73 CYS HB2 H 2.627 0.000 1 741 172 73 CYS HB3 H 2.723 0.000 1 742 172 73 CYS C C 172.930 0.000 1 743 172 73 CYS CA C 52.420 0.000 1 744 172 73 CYS CB C 44.395 0.000 1 745 172 73 CYS N N 125.882 0.000 1 746 173 74 THR H H 9.023 0.000 1 747 173 74 THR HA H 5.354 0.000 1 748 173 74 THR HB H 3.961 0.000 1 749 173 74 THR HG2 H 1.076 0.000 1 750 173 74 THR C C 172.865 0.000 1 751 173 74 THR CA C 57.450 0.000 1 752 173 74 THR CB C 69.000 0.000 1 753 173 74 THR CG2 C 19.859 0.000 1 754 173 74 THR N N 119.156 0.000 1 755 174 75 SER H H 9.051 0.000 1 756 174 75 SER HA H 4.762 0.000 1 757 174 75 SER HB2 H 4.021 0.000 2 758 174 75 SER HB3 H 3.547 0.000 2 759 174 75 SER C C 171.923 0.000 1 760 174 75 SER CA C 53.815 0.000 1 761 174 75 SER CB C 64.568 0.000 1 762 174 75 SER N N 117.474 0.000 1 763 175 76 CYS H H 8.610 0.000 1 764 175 76 CYS HA H 5.839 0.000 1 765 175 76 CYS HB2 H 3.132 0.000 1 766 175 76 CYS HB3 H 2.669 0.000 1 767 175 76 CYS C C 172.439 0.000 1 768 175 76 CYS CA C 51.962 0.000 1 769 175 76 CYS CB C 47.590 0.000 1 770 175 76 CYS N N 116.278 0.000 1 771 176 77 CYS H H 9.196 0.000 1 772 176 77 CYS HA H 5.165 0.000 1 773 176 77 CYS HB2 H 3.122 0.000 1 774 176 77 CYS HB3 H 3.415 0.000 1 775 176 77 CYS C C 171.006 0.000 1 776 176 77 CYS CA C 50.939 0.000 1 777 176 77 CYS CB C 41.757 0.000 1 778 176 77 CYS N N 115.647 0.000 1 779 177 78 GLU H H 8.983 0.000 1 780 177 78 GLU HA H 4.885 0.000 1 781 177 78 GLU HB2 H 2.074 0.000 2 782 177 78 GLU HB3 H 1.872 0.000 2 783 177 78 GLU HG2 H 2.407 0.000 2 784 177 78 GLU HG3 H 2.407 0.000 2 785 177 78 GLU C C 174.634 0.000 1 786 177 78 GLU CA C 52.016 0.000 1 787 177 78 GLU CB C 30.186 0.000 1 788 177 78 GLU CG C 30.236 0.000 1 789 177 78 GLU N N 122.398 0.000 1 790 178 79 GLY H H 8.196 0.000 1 791 178 79 GLY HA2 H 4.398 0.000 2 792 178 79 GLY HA3 H 3.372 0.000 2 793 178 79 GLY C C 172.387 0.000 1 794 178 79 GLY CA C 40.800 0.000 1 795 178 79 GLY N N 116.076 0.000 1 796 179 80 ASN H H 8.337 0.000 1 797 179 80 ASN HA H 4.819 0.000 1 798 179 80 ASN HB2 H 2.768 0.000 2 799 179 80 ASN HB3 H 2.643 0.000 2 800 179 80 ASN HD21 H 7.735 0.000 1 801 179 80 ASN HD22 H 7.107 0.000 1 802 179 80 ASN C C 175.822 0.000 1 803 179 80 ASN CA C 53.125 0.000 1 804 179 80 ASN CB C 36.920 0.000 1 805 179 80 ASN N N 119.503 0.000 1 806 179 80 ASN ND2 N 115.206 0.000 1 807 180 81 ILE H H 9.580 0.000 1 808 180 81 ILE HA H 3.415 0.000 1 809 180 81 ILE HB H 2.012 0.000 1 810 180 81 ILE HG12 H 1.539 0.000 2 811 180 81 ILE HG13 H 0.630 0.000 2 812 180 81 ILE HG2 H 0.143 0.000 1 813 180 81 ILE HD1 H 0.703 0.000 1 814 180 81 ILE C C 174.944 0.000 1 815 180 81 ILE CA C 60.352 0.000 1 816 180 81 ILE CB C 35.496 0.000 1 817 180 81 ILE CG1 C 23.789 0.000 1 818 180 81 ILE CG2 C 15.474 0.000 1 819 180 81 ILE CD1 C 11.377 0.000 1 820 180 81 ILE N N 116.483 0.000 1 821 181 82 CYS H H 7.642 0.000 1 822 181 82 CYS HA H 4.371 0.000 1 823 181 82 CYS HB2 H 3.296 0.000 1 824 181 82 CYS HB3 H 2.824 0.000 1 825 181 82 CYS C C 175.847 0.000 1 826 181 82 CYS CA C 54.689 0.000 1 827 181 82 CYS CB C 39.044 0.000 1 828 181 82 CYS N N 113.492 0.000 1 829 182 83 ASN H H 8.447 0.000 1 830 182 83 ASN HA H 4.811 0.000 1 831 182 83 ASN HB2 H 3.260 0.000 2 832 182 83 ASN HB3 H 2.479 0.000 2 833 182 83 ASN HD21 H 6.440 0.000 2 834 182 83 ASN HD22 H 8.224 0.000 2 835 182 83 ASN C C 173.330 0.000 1 836 182 83 ASN CA C 49.912 0.000 1 837 182 83 ASN CB C 33.310 0.000 1 838 182 83 ASN N N 121.180 0.000 1 839 182 83 ASN ND2 N 111.074 0.000 1 840 183 84 LEU H H 7.144 0.000 1 841 183 84 LEU HA H 3.715 0.000 1 842 183 84 LEU HB2 H 1.853 0.000 2 843 183 84 LEU HB3 H 1.796 0.000 2 844 183 84 LEU HG H 1.245 0.000 1 845 183 84 LEU HD1 H 0.708 0.000 2 846 183 84 LEU HD2 H 0.755 0.000 2 847 183 84 LEU CA C 57.821 0.000 1 848 183 84 LEU CB C 37.921 0.000 1 849 183 84 LEU CG C 24.880 0.000 1 850 183 84 LEU CD1 C 21.742 0.000 1 851 183 84 LEU CD2 C 22.666 0.000 1 852 183 84 LEU N N 122.736 0.000 1 853 184 85 PRO HA H 4.437 0.000 1 854 184 85 PRO HB2 H 1.801 0.000 2 855 184 85 PRO HB3 H 2.008 0.000 2 856 184 85 PRO HG2 H 1.670 0.000 2 857 184 85 PRO HG3 H 1.934 0.000 2 858 184 85 PRO HD2 H 3.672 0.000 2 859 184 85 PRO HD3 H 3.633 0.000 2 860 184 85 PRO CA C 60.792 0.000 1 861 184 85 PRO CB C 29.452 0.000 1 862 184 85 PRO CG C 23.855 0.000 1 863 184 85 PRO CD C 46.184 0.000 1 864 185 86 LEU H H 7.901 0.000 1 865 185 86 LEU HA H 4.514 0.000 1 866 185 86 LEU HB2 H 0.620 0.000 2 867 185 86 LEU HB3 H 1.096 0.000 2 868 185 86 LEU HG H 1.006 0.000 1 869 185 86 LEU HD1 H 0.269 0.000 2 870 185 86 LEU HD2 H 0.124 0.000 2 871 185 86 LEU CA C 48.367 0.000 1 872 185 86 LEU CB C 39.976 0.000 1 873 185 86 LEU CG C 22.733 0.000 1 874 185 86 LEU CD1 C 22.275 0.000 1 875 185 86 LEU CD2 C 22.521 0.000 1 876 185 86 LEU N N 116.055 0.000 1 877 186 87 PRO HA H 4.349 0.000 1 878 186 87 PRO HB2 H 1.840 0.000 2 879 186 87 PRO HB3 H 2.215 0.000 2 880 186 87 PRO HG2 H 1.951 0.000 2 881 186 87 PRO HG3 H 1.951 0.000 2 882 186 87 PRO HD2 H 3.752 0.000 2 883 186 87 PRO HD3 H 3.547 0.000 2 884 186 87 PRO C C 176.312 0.000 1 885 186 87 PRO CA C 60.206 0.000 1 886 186 87 PRO CB C 29.198 0.000 1 887 186 87 PRO CG C 24.614 0.000 1 888 186 87 PRO CD C 47.735 0.000 1 889 187 88 ARG H H 8.351 0.000 1 890 187 88 ARG HA H 4.268 0.000 1 891 187 88 ARG HB2 H 1.782 0.000 2 892 187 88 ARG HB3 H 1.782 0.000 2 893 187 88 ARG HG2 H 1.703 0.000 2 894 187 88 ARG HG3 H 1.583 0.000 2 895 187 88 ARG HD2 H 3.146 0.000 2 896 187 88 ARG HD3 H 3.146 0.000 2 897 187 88 ARG C C 175.589 0.000 1 898 187 88 ARG CA C 53.216 0.000 1 899 187 88 ARG CB C 28.301 0.000 1 900 187 88 ARG N N 121.347 0.000 1 901 188 89 ASN H H 8.494 0.000 1 902 188 89 ASN HA H 4.701 0.000 1 903 188 89 ASN HB2 H 2.783 0.000 2 904 188 89 ASN HB3 H 2.713 0.000 2 905 188 89 ASN HD21 H 7.570 0.000 1 906 188 89 ASN HD22 H 6.857 0.000 1 907 188 89 ASN C C 174.957 0.000 1 908 188 89 ASN CA C 50.417 0.000 1 909 188 89 ASN CB C 36.268 0.000 1 910 188 89 ASN N N 120.245 0.000 1 911 188 89 ASN ND2 N 112.950 0.000 1 912 189 90 GLU H H 8.531 0.000 1 913 189 90 GLU HA H 4.276 0.000 1 914 189 90 GLU HB2 H 2.052 0.000 2 915 189 90 GLU HB3 H 1.895 0.000 2 916 189 90 GLU HG2 H 2.230 0.000 2 917 189 90 GLU HG3 H 2.230 0.000 2 918 189 90 GLU C C 176.351 0.000 1 919 189 90 GLU CA C 54.354 0.000 1 920 189 90 GLU CB C 27.410 0.000 1 921 189 90 GLU CG C 33.570 0.000 1 922 189 90 GLU N N 121.539 0.000 1 923 190 91 THR H H 8.076 0.000 1 924 190 91 THR HA H 4.276 0.000 1 925 190 91 THR HB H 4.201 0.000 1 926 190 91 THR HG2 H 1.144 0.000 1 927 190 91 THR C C 173.975 0.000 1 928 190 91 THR CA C 59.303 0.000 1 929 190 91 THR CB C 66.993 0.000 1 930 190 91 THR CG2 C 18.787 0.000 1 931 190 91 THR N N 113.455 0.000 1 932 191 92 ASP H H 8.172 0.000 1 933 191 92 ASP HA H 4.541 0.000 1 934 191 92 ASP HB2 H 2.659 0.000 2 935 191 92 ASP HB3 H 2.600 0.000 2 936 191 92 ASP C C 175.628 0.000 1 937 191 92 ASP CA C 51.690 0.000 1 938 191 92 ASP CB C 38.450 0.000 1 939 191 92 ASP N N 122.675 0.000 1 940 192 93 ALA H H 8.160 0.000 1 941 192 93 ALA HA H 4.263 0.000 1 942 192 93 ALA HB H 1.287 0.000 1 943 192 93 ALA C C 177.281 0.000 1 944 192 93 ALA CA C 49.871 0.000 1 945 192 93 ALA CB C 16.478 0.000 1 946 192 93 ALA N N 124.538 0.000 1 947 193 94 THR H H 8.018 0.000 1 948 193 94 THR HA H 4.154 0.000 1 949 193 94 THR HB H 4.026 0.000 1 950 193 94 THR HG1 H 1.388 0.000 1 951 193 94 THR HG2 H 1.044 0.000 1 952 193 94 THR C C 173.808 0.000 1 953 193 94 THR CA C 59.439 0.000 1 954 193 94 THR CB C 67.065 0.000 1 955 193 94 THR CG2 C 18.442 0.000 1 956 193 94 THR N N 113.140 0.000 1 957 194 95 PHE H H 8.063 0.000 1 958 194 95 PHE HA H 4.599 0.000 1 959 194 95 PHE HB2 H 3.148 0.000 2 960 194 95 PHE HB3 H 2.917 0.000 2 961 194 95 PHE HD1 H 7.200 0.000 1 962 194 95 PHE HD2 H 7.200 0.000 1 963 194 95 PHE HE1 H 7.438 0.000 1 964 194 95 PHE HE2 H 7.438 0.000 1 965 194 95 PHE C C 173.911 0.000 1 966 194 95 PHE CA C 54.801 0.000 1 967 194 95 PHE CB C 36.893 0.000 1 968 194 95 PHE CD1 C 129.863 0.000 1 969 194 95 PHE CE1 C 131.236 0.000 1 970 194 95 PHE N N 122.236 0.000 1 971 195 96 ALA H H 7.712 0.000 1 972 195 96 ALA HA H 4.049 0.000 1 973 195 96 ALA HB H 1.259 0.000 1 974 195 96 ALA CA C 51.071 0.000 1 975 195 96 ALA CB C 17.662 0.000 1 976 195 96 ALA N N 130.700 0.000 1 stop_ save_