data_34532 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of water-soluble domain of human Lynx2 (Lypd1) protein ; _BMRB_accession_number 34532 _BMRB_flat_file_name bmr34532.str _Entry_type original _Submission_date 2020-07-16 _Accession_date 2020-07-16 _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 Kocharovskaya M. V. . 2 Paramonov A. S. . 3 Lyukmanova E. N. . 4 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" 438 "13C chemical shifts" 313 "15N chemical shifts" 86 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2021-01-06 original BMRB . stop_ _Original_release_date 2020-08-13 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR structure of water-soluble domain of human Lynx2 (Lypd1) protein ; _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 Kocharovskaya M. V. . 2 Paramonov A. S. . 3 Lyukmanova E. N. . 4 Shenkarev Z. O. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _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 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label unit_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 entity_1 _Molecular_mass 9390.756 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 86 _Mol_residue_sequence ; MIQCYQCEEFQLNNDCSSPE FIVNCTVNVQDMCQKEVMEQ SAGIMYRKSCASSAACLIAS AGYQSFCSPGKLNSVCISCC NTPLCN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 100 MET 2 101 ILE 3 102 GLN 4 103 CYS 5 104 TYR 6 105 GLN 7 106 CYS 8 107 GLU 9 108 GLU 10 109 PHE 11 110 GLN 12 111 LEU 13 112 ASN 14 113 ASN 15 114 ASP 16 115 CYS 17 116 SER 18 117 SER 19 118 PRO 20 119 GLU 21 120 PHE 22 121 ILE 23 122 VAL 24 123 ASN 25 124 CYS 26 125 THR 27 126 VAL 28 127 ASN 29 128 VAL 30 129 GLN 31 130 ASP 32 131 MET 33 132 CYS 34 133 GLN 35 134 LYS 36 135 GLU 37 136 VAL 38 137 MET 39 138 GLU 40 139 GLN 41 140 SER 42 141 ALA 43 142 GLY 44 143 ILE 45 144 MET 46 145 TYR 47 146 ARG 48 147 LYS 49 148 SER 50 149 CYS 51 150 ALA 52 151 SER 53 152 SER 54 153 ALA 55 154 ALA 56 155 CYS 57 156 LEU 58 157 ILE 59 158 ALA 60 159 SER 61 160 ALA 62 161 GLY 63 162 TYR 64 163 GLN 65 164 SER 66 165 PHE 67 166 CYS 68 167 SER 69 168 PRO 70 169 GLY 71 170 LYS 72 171 LEU 73 172 ASN 74 173 SER 75 174 VAL 76 175 CYS 77 176 ILE 78 177 SER 79 178 CYS 80 179 CYS 81 180 ASN 82 181 THR 83 182 PRO 84 183 LEU 85 184 CYS 86 185 ASN 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 _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'LYPD1, LYPDC1, PSEC0181, UNQ3079/PRO9917' 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' . Escherichia coli . plasmid pET-22b(+) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.25 mM [U-98% 13C; U-98% 15N] Lynx2, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.25 mM '[U-98% 13C; U-98% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CYANA _Version 3.98.13 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name TopSpin _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CARA _Version 1.8 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name MddNMR _Version . loop_ _Vendor _Address _Electronic_address 'V. Orekhov, V. Jaravine, M. Mayzel, K. Kazimierczuk, Swedish NMR Center, University of Gothenburg' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 800 _Details CryoProbe save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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_3D_1H-15N-TOCSY-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N-TOCSY-HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N-NOESY-HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N-NOESY-HSQC' _Sample_label $sample_1 save_ save_3D_1H-13C-HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNHA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HNCA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNHB_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_1 save_ save_2D_1H-13C_TROSY_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C TROSY aromatic' _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' 10 5 mM pH 6.7 . pH pressure 1 . atm temperature 318 . 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 2.7 external indirect . . . 0.251449530 water H 1 protons ppm 4.7 internal direct . . . 1 'ammonium chloride' N 15 nitrogen ppm 0 external 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HNCACO' '3D HNCACB' '2D 1H-13C HSQC' '2D 1H-15N HSQC' '3D 1H-15N-TOCSY-HSQC' '3D 1H-15N-NOESY-HSQC' '3D 1H-13C-HCCH-TOCSY' '3D HNHA' '3D HNCA' '3D HN(CO)CA' '3D HNHB' '2D 1H-13C TROSY aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name unit_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 1 101 2 ILE HA H 4.487 0.020 1 2 101 2 ILE HB H 1.743 0.020 1 3 101 2 ILE HG12 H 1.278 0.020 2 4 101 2 ILE HG13 H 1.278 0.020 2 5 101 2 ILE HG2 H 0.784 0.020 1 6 101 2 ILE HD1 H 0.683 0.020 1 7 101 2 ILE C C 169.516 0.400 1 8 101 2 ILE CA C 58.864 0.400 1 9 101 2 ILE CB C 39.330 0.400 1 10 101 2 ILE CG1 C 26.848 0.400 1 11 101 2 ILE CG2 C 12.722 0.400 1 12 101 2 ILE CD1 C 11.405 0.400 1 13 102 3 GLN H H 6.411 0.020 1 14 102 3 GLN HA H 5.423 0.020 1 15 102 3 GLN HB2 H 1.848 0.020 2 16 102 3 GLN HB3 H 1.848 0.020 2 17 102 3 GLN HG2 H 2.369 0.020 2 18 102 3 GLN HG3 H 2.369 0.020 2 19 102 3 GLN C C 172.567 0.400 1 20 102 3 GLN CA C 51.938 0.400 1 21 102 3 GLN CB C 29.328 0.400 1 22 102 3 GLN N N 121.605 0.400 1 23 103 4 CYS H H 8.383 0.020 1 24 103 4 CYS HA H 4.964 0.020 1 25 103 4 CYS HB2 H 2.392 0.020 1 26 103 4 CYS HB3 H 3.173 0.020 1 27 103 4 CYS C C 171.085 0.400 1 28 103 4 CYS CA C 49.521 0.400 1 29 103 4 CYS CB C 39.890 0.400 1 30 103 4 CYS N N 118.428 0.400 1 31 104 5 TYR H H 8.707 0.020 1 32 104 5 TYR HA H 4.676 0.020 1 33 104 5 TYR HB2 H 2.514 0.020 1 34 104 5 TYR HB3 H 3.168 0.020 1 35 104 5 TYR HD1 H 7.024 0.020 1 36 104 5 TYR HD2 H 7.024 0.020 1 37 104 5 TYR HE1 H 6.656 0.020 1 38 104 5 TYR HE2 H 6.656 0.020 1 39 104 5 TYR C C 173.988 0.400 1 40 104 5 TYR CA C 57.443 0.400 1 41 104 5 TYR CB C 36.150 0.400 1 42 104 5 TYR CD1 C 130.456 0.400 3 43 104 5 TYR CE1 C 115.824 0.400 3 44 104 5 TYR N N 121.074 0.400 1 45 105 6 GLN H H 9.379 0.020 1 46 105 6 GLN HA H 4.666 0.020 1 47 105 6 GLN HB2 H 2.173 0.020 1 48 105 6 GLN HB3 H 1.913 0.020 1 49 105 6 GLN HG2 H 2.369 0.020 2 50 105 6 GLN HG3 H 2.462 0.020 2 51 105 6 GLN HE21 H 7.850 0.020 2 52 105 6 GLN HE22 H 6.806 0.020 2 53 105 6 GLN C C 171.245 0.400 1 54 105 6 GLN CA C 52.589 0.400 1 55 105 6 GLN CB C 30.317 0.400 1 56 105 6 GLN CG C 32.062 0.400 1 57 105 6 GLN N N 121.541 0.400 1 58 105 6 GLN NE2 N 112.588 0.400 1 59 106 7 CYS H H 8.689 0.020 1 60 106 7 CYS HA H 4.967 0.020 1 61 106 7 CYS HB2 H 3.157 0.020 1 62 106 7 CYS HB3 H 3.363 0.020 1 63 106 7 CYS C C 171.035 0.400 1 64 106 7 CYS CA C 53.834 0.400 1 65 106 7 CYS CB C 42.819 0.400 1 66 106 7 CYS N N 123.597 0.400 1 67 107 8 GLU H H 9.096 0.020 1 68 107 8 GLU HA H 4.050 0.020 1 69 107 8 GLU HB2 H 2.085 0.020 2 70 107 8 GLU HB3 H 2.197 0.020 2 71 107 8 GLU HG2 H 2.288 0.020 2 72 107 8 GLU HG3 H 2.390 0.020 2 73 107 8 GLU C C 173.308 0.400 1 74 107 8 GLU CA C 56.621 0.400 1 75 107 8 GLU CB C 27.909 0.400 1 76 107 8 GLU CG C 34.716 0.400 1 77 107 8 GLU N N 121.798 0.400 1 78 108 9 GLU H H 7.970 0.020 1 79 108 9 GLU HA H 4.618 0.020 1 80 108 9 GLU HB2 H 1.917 0.020 1 81 108 9 GLU HB3 H 2.102 0.020 1 82 108 9 GLU HG2 H 2.316 0.020 2 83 108 9 GLU HG3 H 2.383 0.020 2 84 108 9 GLU C C 173.135 0.400 1 85 108 9 GLU CA C 51.642 0.400 1 86 108 9 GLU CB C 28.837 0.400 1 87 108 9 GLU CG C 33.669 0.400 1 88 108 9 GLU N N 118.206 0.400 1 89 109 10 PHE H H 8.479 0.020 1 90 109 10 PHE HA H 4.619 0.020 1 91 109 10 PHE HB2 H 3.022 0.020 2 92 109 10 PHE HB3 H 2.929 0.020 2 93 109 10 PHE HD1 H 7.219 0.020 1 94 109 10 PHE HD2 H 7.219 0.020 1 95 109 10 PHE C C 174.506 0.400 1 96 109 10 PHE CA C 57.475 0.400 1 97 109 10 PHE CB C 37.497 0.400 1 98 109 10 PHE CD1 C 129.359 0.400 3 99 109 10 PHE CE1 C 128.380 0.400 3 100 109 10 PHE N N 120.055 0.400 1 101 110 11 GLN H H 9.288 0.020 1 102 110 11 GLN HA H 4.723 0.020 1 103 110 11 GLN HB2 H 2.470 0.020 1 104 110 11 GLN HB3 H 2.322 0.020 1 105 110 11 GLN HG2 H 2.587 0.020 2 106 110 11 GLN HG3 H 2.827 0.020 2 107 110 11 GLN HE21 H 7.489 0.020 2 108 110 11 GLN HE22 H 6.813 0.020 2 109 110 11 GLN C C 173.222 0.400 1 110 110 11 GLN CA C 51.387 0.400 1 111 110 11 GLN CB C 29.422 0.400 1 112 110 11 GLN CG C 30.947 0.400 1 113 110 11 GLN N N 120.919 0.400 1 114 110 11 GLN NE2 N 114.034 0.400 1 115 111 12 LEU H H 8.699 0.020 1 116 111 12 LEU HA H 4.667 0.020 1 117 111 12 LEU HB2 H 1.860 0.020 2 118 111 12 LEU HB3 H 1.552 0.020 2 119 111 12 LEU HG H 1.612 0.020 1 120 111 12 LEU HD1 H 0.919 0.020 2 121 111 12 LEU HD2 H 0.821 0.020 2 122 111 12 LEU C C 174.489 0.400 1 123 111 12 LEU CA C 52.774 0.400 1 124 111 12 LEU CB C 40.480 0.400 1 125 111 12 LEU CG C 24.771 0.400 1 126 111 12 LEU CD1 C 22.745 0.400 2 127 111 12 LEU CD2 C 21.004 0.400 2 128 111 12 LEU N N 124.318 0.400 1 129 112 13 ASN H H 9.591 0.020 1 130 112 13 ASN HA H 4.600 0.020 1 131 112 13 ASN HD21 H 7.784 0.020 2 132 112 13 ASN HD22 H 7.074 0.020 2 133 112 13 ASN C C 171.097 0.400 1 134 112 13 ASN CA C 52.289 0.400 1 135 112 13 ASN CB C 34.947 0.400 1 136 112 13 ASN N N 119.940 0.400 1 137 112 13 ASN ND2 N 113.021 0.400 1 138 113 14 ASN H H 7.361 0.020 1 139 113 14 ASN HA H 4.788 0.020 1 140 113 14 ASN HB2 H 2.867 0.020 2 141 113 14 ASN HB3 H 2.805 0.020 2 142 113 14 ASN HD21 H 7.492 0.020 2 143 113 14 ASN HD22 H 6.887 0.020 2 144 113 14 ASN C C 170.245 0.400 1 145 113 14 ASN CA C 50.371 0.400 1 146 113 14 ASN CB C 37.640 0.400 1 147 113 14 ASN N N 115.542 0.400 1 148 113 14 ASN ND2 N 112.542 0.400 1 149 114 15 ASP H H 7.865 0.020 1 150 114 15 ASP HA H 3.535 0.020 1 151 114 15 ASP HB2 H 1.779 0.020 1 152 114 15 ASP HB3 H 2.059 0.020 1 153 114 15 ASP C C 173.333 0.400 1 154 114 15 ASP CA C 50.022 0.400 1 155 114 15 ASP CB C 36.826 0.400 1 156 114 15 ASP N N 121.227 0.400 1 157 115 16 CYS H H 8.195 0.020 1 158 115 16 CYS HA H 3.050 0.020 1 159 115 16 CYS HB2 H 2.799 0.020 2 160 115 16 CYS HB3 H 2.668 0.020 2 161 115 16 CYS C C 170.836 0.400 1 162 115 16 CYS CA C 53.254 0.400 1 163 115 16 CYS CB C 39.425 0.400 1 164 115 16 CYS N N 114.731 0.400 1 165 116 17 SER H H 7.905 0.020 1 166 116 17 SER HA H 3.452 0.020 1 167 116 17 SER HB2 H 3.514 0.020 2 168 116 17 SER HB3 H 3.040 0.020 2 169 116 17 SER C C 171.085 0.400 1 170 116 17 SER CA C 54.515 0.400 1 171 116 17 SER CB C 60.996 0.400 1 172 116 17 SER N N 110.813 0.400 1 173 117 18 SER H H 7.297 0.020 1 174 117 18 SER HA H 5.069 0.020 1 175 117 18 SER HB2 H 4.228 0.020 2 176 117 18 SER HB3 H 4.049 0.020 2 177 117 18 SER CA C 53.931 0.400 1 178 117 18 SER CB C 60.882 0.400 1 179 117 18 SER N N 117.569 0.400 1 180 118 19 PRO HA H 4.472 0.020 1 181 118 19 PRO HB2 H 2.547 0.020 2 182 118 19 PRO HB3 H 2.068 0.020 2 183 118 19 PRO HG2 H 2.263 0.020 2 184 118 19 PRO HG3 H 2.193 0.020 2 185 118 19 PRO HD2 H 4.112 0.020 2 186 118 19 PRO HD3 H 3.985 0.020 2 187 118 19 PRO C C 175.605 0.400 1 188 118 19 PRO CA C 62.924 0.400 1 189 118 19 PRO CB C 29.391 0.400 1 190 118 19 PRO CG C 25.227 0.400 1 191 118 19 PRO CD C 48.628 0.400 1 192 119 20 GLU H H 9.307 0.020 1 193 119 20 GLU HA H 4.209 0.020 1 194 119 20 GLU HB2 H 1.773 0.020 2 195 119 20 GLU HB3 H 1.773 0.020 2 196 119 20 GLU HG2 H 1.917 0.020 2 197 119 20 GLU HG3 H 1.742 0.020 2 198 119 20 GLU C C 174.514 0.400 1 199 119 20 GLU CA C 55.949 0.400 1 200 119 20 GLU CB C 25.707 0.400 1 201 119 20 GLU CG C 33.155 0.400 1 202 119 20 GLU N N 117.605 0.400 1 203 120 21 PHE H H 8.186 0.020 1 204 120 21 PHE HA H 4.936 0.020 1 205 120 21 PHE HB2 H 3.064 0.020 1 206 120 21 PHE HB3 H 3.897 0.020 1 207 120 21 PHE HD1 H 7.563 0.020 1 208 120 21 PHE HD2 H 7.563 0.020 1 209 120 21 PHE C C 172.542 0.400 1 210 120 21 PHE CA C 55.249 0.400 1 211 120 21 PHE CB C 36.826 0.400 1 212 120 21 PHE CD1 C 129.401 0.400 3 213 120 21 PHE N N 117.952 0.400 1 214 121 22 ILE H H 7.455 0.020 1 215 121 22 ILE HA H 3.905 0.020 1 216 121 22 ILE HB H 1.772 0.020 1 217 121 22 ILE HG12 H 0.502 0.020 2 218 121 22 ILE HG13 H 1.878 0.020 2 219 121 22 ILE HG2 H 0.665 0.020 1 220 121 22 ILE HD1 H 0.977 0.020 1 221 121 22 ILE C C 173.907 0.400 1 222 121 22 ILE CA C 61.580 0.400 1 223 121 22 ILE CB C 35.567 0.400 1 224 121 22 ILE CG1 C 26.834 0.400 1 225 121 22 ILE CG2 C 14.404 0.400 1 226 121 22 ILE CD1 C 11.141 0.400 1 227 121 22 ILE N N 121.295 0.400 1 228 122 23 VAL H H 8.944 0.020 1 229 122 23 VAL HA H 4.639 0.020 1 230 122 23 VAL HB H 2.088 0.020 1 231 122 23 VAL HG1 H 0.999 0.020 1 232 122 23 VAL HG2 H 0.921 0.020 1 233 122 23 VAL C C 171.715 0.400 1 234 122 23 VAL CA C 57.328 0.400 1 235 122 23 VAL CB C 33.264 0.400 1 236 122 23 VAL CG1 C 19.261 0.400 2 237 122 23 VAL CG2 C 18.752 0.400 2 238 122 23 VAL N N 125.345 0.400 1 239 123 24 ASN H H 8.396 0.020 1 240 123 24 ASN HA H 4.885 0.020 1 241 123 24 ASN HB2 H 2.832 0.020 2 242 123 24 ASN HB3 H 2.832 0.020 2 243 123 24 ASN HD21 H 7.381 0.020 2 244 123 24 ASN HD22 H 6.570 0.020 2 245 123 24 ASN C C 172.277 0.400 1 246 123 24 ASN CA C 50.071 0.400 1 247 123 24 ASN CB C 36.247 0.400 1 248 123 24 ASN N N 120.262 0.400 1 249 123 24 ASN ND2 N 110.357 0.400 1 250 124 25 CYS H H 8.469 0.020 1 251 124 25 CYS HA H 4.878 0.020 1 252 124 25 CYS HB2 H 3.562 0.020 2 253 124 25 CYS HB3 H 3.076 0.020 2 254 124 25 CYS CA C 51.007 0.400 1 255 124 25 CYS CB C 34.008 0.400 1 256 124 25 CYS N N 124.421 0.400 1 257 125 26 THR HA H 4.268 0.020 1 258 125 26 THR HB H 4.166 0.020 1 259 125 26 THR HG2 H 1.365 0.020 1 260 125 26 THR CA C 61.238 0.400 1 261 125 26 THR CB C 66.809 0.400 1 262 125 26 THR CG2 C 19.617 0.400 1 263 126 27 VAL HA H 4.076 0.020 1 264 126 27 VAL HB H 2.088 0.020 1 265 126 27 VAL HG1 H 1.142 0.020 2 266 126 27 VAL HG2 H 1.142 0.020 2 267 126 27 VAL CA C 61.152 0.400 1 268 126 27 VAL CB C 29.468 0.400 1 269 126 27 VAL CG1 C 18.600 0.400 2 270 126 27 VAL CG2 C 18.976 0.400 2 271 128 29 VAL HA H 4.262 0.020 1 272 128 29 VAL HB H 2.082 0.020 1 273 128 29 VAL HG1 H 1.078 0.020 2 274 128 29 VAL HG2 H 1.021 0.020 2 275 128 29 VAL CA C 60.550 0.400 1 276 128 29 VAL CB C 30.761 0.400 1 277 128 29 VAL CG1 C 18.713 0.400 2 278 128 29 VAL CG2 C 17.804 0.400 2 279 129 30 GLN H H 7.961 0.020 1 280 129 30 GLN HA H 4.429 0.020 1 281 129 30 GLN HB2 H 2.511 0.020 2 282 129 30 GLN HB3 H 1.778 0.020 2 283 129 30 GLN HG2 H 2.152 0.020 2 284 129 30 GLN HG3 H 2.303 0.020 2 285 129 30 GLN HE21 H 7.509 0.020 2 286 129 30 GLN HE22 H 6.805 0.020 2 287 129 30 GLN C C 171.268 0.400 1 288 129 30 GLN CA C 53.193 0.400 1 289 129 30 GLN CB C 26.328 0.400 1 290 129 30 GLN CG C 31.314 0.400 1 291 129 30 GLN N N 118.300 0.400 1 292 129 30 GLN NE2 N 111.271 0.400 1 293 130 31 ASP H H 8.640 0.020 1 294 130 31 ASP HA H 4.603 0.020 1 295 130 31 ASP HB2 H 3.043 0.020 2 296 130 31 ASP HB3 H 2.670 0.020 2 297 130 31 ASP C C 171.912 0.400 1 298 130 31 ASP CA C 50.429 0.400 1 299 130 31 ASP CB C 38.503 0.400 1 300 130 31 ASP N N 122.171 0.400 1 301 131 32 MET H H 8.612 0.020 1 302 131 32 MET HA H 5.017 0.020 1 303 131 32 MET HB2 H 2.124 0.020 1 304 131 32 MET HB3 H 1.763 0.020 1 305 131 32 MET HG2 H 2.488 0.020 2 306 131 32 MET HG3 H 2.733 0.020 2 307 131 32 MET HE H 2.111 0.020 1 308 131 32 MET C C 170.356 0.400 1 309 131 32 MET CA C 52.208 0.400 1 310 131 32 MET CB C 36.533 0.400 1 311 131 32 MET CG C 31.350 0.400 1 312 131 32 MET N N 119.249 0.400 1 313 132 33 CYS H H 9.126 0.020 1 314 132 33 CYS HA H 5.600 0.020 1 315 132 33 CYS HB2 H 3.285 0.020 1 316 132 33 CYS HB3 H 3.118 0.020 1 317 132 33 CYS C C 171.454 0.400 1 318 132 33 CYS CA C 49.854 0.400 1 319 132 33 CYS CB C 35.762 0.400 1 320 132 33 CYS N N 115.661 0.400 1 321 133 34 GLN H H 9.481 0.020 1 322 133 34 GLN HA H 5.529 0.020 1 323 133 34 GLN HB2 H 2.082 0.020 2 324 133 34 GLN HB3 H 2.082 0.020 2 325 133 34 GLN HG2 H 2.213 0.020 2 326 133 34 GLN HG3 H 2.435 0.020 2 327 133 34 GLN HE21 H 7.118 0.020 2 328 133 34 GLN HE22 H 6.186 0.020 2 329 133 34 GLN C C 173.172 0.400 1 330 133 34 GLN CA C 52.539 0.400 1 331 133 34 GLN CB C 30.794 0.400 1 332 133 34 GLN CG C 31.762 0.400 1 333 133 34 GLN N N 123.918 0.400 1 334 133 34 GLN NE2 N 107.753 0.400 1 335 134 35 LYS H H 8.955 0.020 1 336 134 35 LYS HA H 5.195 0.020 1 337 134 35 LYS HB2 H 1.861 0.020 2 338 134 35 LYS HB3 H 2.092 0.020 2 339 134 35 LYS HG2 H 1.511 0.020 2 340 134 35 LYS HG3 H 1.511 0.020 2 341 134 35 LYS HD2 H 1.794 0.020 2 342 134 35 LYS HD3 H 1.794 0.020 2 343 134 35 LYS HE2 H 2.949 0.020 2 344 134 35 LYS HE3 H 3.014 0.020 2 345 134 35 LYS C C 170.096 0.400 1 346 134 35 LYS CA C 53.162 0.400 1 347 134 35 LYS CB C 34.395 0.400 1 348 134 35 LYS CG C 22.532 0.400 1 349 134 35 LYS CD C 27.367 0.400 1 350 134 35 LYS CE C 39.130 0.400 1 351 134 35 LYS N N 127.654 0.400 1 352 135 36 GLU H H 9.347 0.020 1 353 135 36 GLU HA H 5.338 0.020 1 354 135 36 GLU HB2 H 2.082 0.020 2 355 135 36 GLU HB3 H 2.082 0.020 2 356 135 36 GLU HG2 H 2.204 0.020 2 357 135 36 GLU HG3 H 2.204 0.020 2 358 135 36 GLU C C 171.949 0.400 1 359 135 36 GLU CA C 52.096 0.400 1 360 135 36 GLU CB C 29.863 0.400 1 361 135 36 GLU CG C 33.674 0.400 1 362 135 36 GLU N N 126.766 0.400 1 363 136 37 VAL H H 8.610 0.020 1 364 136 37 VAL HA H 4.868 0.020 1 365 136 37 VAL HB H 1.941 0.020 1 366 136 37 VAL HG1 H 0.698 0.020 1 367 136 37 VAL HG2 H 0.988 0.020 1 368 136 37 VAL C C 172.792 0.400 1 369 136 37 VAL CA C 58.299 0.400 1 370 136 37 VAL CB C 32.190 0.400 1 371 136 37 VAL CG1 C 18.945 0.400 2 372 136 37 VAL CG2 C 18.478 0.400 2 373 136 37 VAL N N 122.611 0.400 1 374 137 38 MET H H 9.243 0.020 1 375 137 38 MET HA H 5.632 0.020 1 376 137 38 MET HB2 H 1.800 0.020 2 377 137 38 MET HB3 H 1.737 0.020 2 378 137 38 MET HG2 H 2.174 0.020 2 379 137 38 MET HG3 H 2.357 0.020 2 380 137 38 MET C C 171.664 0.400 1 381 137 38 MET CA C 51.237 0.400 1 382 137 38 MET CB C 34.189 0.400 1 383 137 38 MET CG C 28.910 0.400 1 384 137 38 MET N N 128.760 0.400 1 385 138 39 GLU H H 8.650 0.020 1 386 138 39 GLU HA H 4.597 0.020 1 387 138 39 GLU HB2 H 2.138 0.020 2 388 138 39 GLU HG2 H 2.105 0.020 2 389 138 39 GLU HG3 H 2.251 0.020 2 390 138 39 GLU C C 172.876 0.400 1 391 138 39 GLU CA C 53.928 0.400 1 392 138 39 GLU CB C 27.478 0.400 1 393 138 39 GLU CG C 33.998 0.400 1 394 138 39 GLU N N 126.525 0.400 1 395 139 40 GLN H H 8.214 0.020 1 396 139 40 GLN HA H 4.990 0.020 1 397 139 40 GLN HB2 H 2.532 0.020 1 398 139 40 GLN HB3 H 2.136 0.020 1 399 139 40 GLN HG2 H 2.344 0.020 2 400 139 40 GLN HG3 H 2.344 0.020 2 401 139 40 GLN HE21 H 7.053 0.020 2 402 139 40 GLN HE22 H 6.837 0.020 2 403 139 40 GLN C C 174.056 0.400 1 404 139 40 GLN CA C 51.793 0.400 1 405 139 40 GLN CB C 29.251 0.400 1 406 139 40 GLN CG C 31.408 0.400 1 407 139 40 GLN N N 122.953 0.400 1 408 139 40 GLN NE2 N 111.068 0.400 1 409 140 41 SER H H 9.023 0.020 1 410 140 41 SER HA H 4.145 0.020 1 411 140 41 SER HB2 H 4.017 0.020 2 412 140 41 SER HB3 H 4.017 0.020 2 413 140 41 SER C C 173.560 0.400 1 414 140 41 SER CA C 59.700 0.400 1 415 140 41 SER CB C 60.056 0.400 1 416 140 41 SER N N 118.199 0.400 1 417 141 42 ALA H H 8.055 0.020 1 418 141 42 ALA HA H 4.431 0.020 1 419 141 42 ALA HB H 1.456 0.020 1 420 141 42 ALA C C 174.077 0.400 1 421 141 42 ALA CA C 50.167 0.400 1 422 141 42 ALA CB C 16.908 0.400 1 423 141 42 ALA N N 119.606 0.400 1 424 142 43 GLY H H 7.418 0.020 1 425 142 43 GLY HA2 H 4.519 0.020 2 426 142 43 GLY HA3 H 4.519 0.020 2 427 142 43 GLY C C 168.295 0.400 1 428 142 43 GLY CA C 41.832 0.400 1 429 142 43 GLY N N 105.118 0.400 1 430 143 44 ILE H H 8.009 0.020 1 431 143 44 ILE HA H 4.533 0.020 1 432 143 44 ILE HB H 1.790 0.020 1 433 143 44 ILE HG12 H 1.654 0.020 2 434 143 44 ILE HG13 H 1.025 0.020 2 435 143 44 ILE HG2 H 0.545 0.020 1 436 143 44 ILE HD1 H 0.899 0.020 1 437 143 44 ILE C C 172.246 0.400 1 438 143 44 ILE CA C 58.279 0.400 1 439 143 44 ILE CB C 36.138 0.400 1 440 143 44 ILE CG1 C 25.845 0.400 1 441 143 44 ILE CG2 C 15.560 0.400 1 442 143 44 ILE CD1 C 10.400 0.400 1 443 143 44 ILE N N 120.103 0.400 1 444 144 45 MET H H 9.047 0.020 1 445 144 45 MET HA H 5.422 0.020 1 446 144 45 MET HB2 H 1.941 0.020 2 447 144 45 MET HB3 H 1.822 0.020 2 448 144 45 MET HG2 H 2.347 0.020 2 449 144 45 MET HG3 H 2.347 0.020 2 450 144 45 MET C C 172.011 0.400 1 451 144 45 MET CA C 51.202 0.400 1 452 144 45 MET CB C 34.114 0.400 1 453 144 45 MET CG C 29.770 0.400 1 454 144 45 MET N N 125.123 0.400 1 455 145 46 TYR H H 8.761 0.020 1 456 145 46 TYR HA H 5.722 0.020 1 457 145 46 TYR HB2 H 2.665 0.020 1 458 145 46 TYR HB3 H 3.153 0.020 1 459 145 46 TYR HD1 H 7.056 0.020 1 460 145 46 TYR HD2 H 7.056 0.020 1 461 145 46 TYR HE1 H 6.745 0.020 1 462 145 46 TYR HE2 H 6.745 0.020 1 463 145 46 TYR C C 172.752 0.400 1 464 145 46 TYR CA C 54.645 0.400 1 465 145 46 TYR CB C 40.657 0.400 1 466 145 46 TYR CD1 C 131.083 0.400 3 467 145 46 TYR CE1 C 115.518 0.400 3 468 145 46 TYR N N 119.699 0.400 1 469 146 47 ARG H H 8.953 0.020 1 470 146 47 ARG HA H 4.737 0.020 1 471 146 47 ARG HB2 H 0.759 0.020 2 472 146 47 ARG HB3 H 1.172 0.020 2 473 146 47 ARG HG2 H 1.150 0.020 2 474 146 47 ARG HG3 H 1.236 0.020 2 475 146 47 ARG HD2 H 2.080 0.020 2 476 146 47 ARG HD3 H 2.658 0.020 2 477 146 47 ARG C C 172.085 0.400 1 478 146 47 ARG CA C 53.907 0.400 1 479 146 47 ARG CB C 31.559 0.400 1 480 146 47 ARG CG C 24.175 0.400 1 481 146 47 ARG CD C 41.060 0.400 1 482 146 47 ARG N N 121.156 0.400 1 483 147 48 LYS H H 8.314 0.020 1 484 147 48 LYS HA H 5.396 0.020 1 485 147 48 LYS HB2 H 2.135 0.020 2 486 147 48 LYS HB3 H 1.852 0.020 2 487 147 48 LYS HG2 H 1.598 0.020 2 488 147 48 LYS HG3 H 1.440 0.020 2 489 147 48 LYS HD2 H 2.023 0.020 2 490 147 48 LYS HD3 H 1.669 0.020 2 491 147 48 LYS HE2 H 2.758 0.020 2 492 147 48 LYS HE3 H 2.686 0.020 2 493 147 48 LYS C C 173.296 0.400 1 494 147 48 LYS CA C 53.006 0.400 1 495 147 48 LYS CB C 35.787 0.400 1 496 147 48 LYS CG C 24.679 0.400 1 497 147 48 LYS CD C 27.901 0.400 1 498 147 48 LYS CE C 40.470 0.400 1 499 147 48 LYS N N 123.807 0.400 1 500 148 49 SER H H 8.449 0.020 1 501 148 49 SER HA H 4.873 0.020 1 502 148 49 SER HB2 H 4.094 0.020 2 503 148 49 SER C C 172.258 0.400 1 504 148 49 SER CA C 56.034 0.400 1 505 148 49 SER CB C 63.577 0.400 1 506 148 49 SER N N 112.824 0.400 1 507 149 50 CYS H H 8.361 0.020 1 508 149 50 CYS HA H 5.158 0.020 1 509 149 50 CYS HB2 H 3.163 0.020 1 510 149 50 CYS HB3 H 2.808 0.020 1 511 149 50 CYS C C 172.802 0.400 1 512 149 50 CYS CA C 55.746 0.400 1 513 149 50 CYS CB C 42.306 0.400 1 514 149 50 CYS N N 118.792 0.400 1 515 150 51 ALA H H 9.213 0.020 1 516 150 51 ALA HA H 4.865 0.020 1 517 150 51 ALA HB H 1.341 0.020 1 518 150 51 ALA CA C 49.227 0.400 1 519 150 51 ALA CB C 21.558 0.400 1 520 150 51 ALA N N 124.445 0.400 1 521 151 52 SER H H 8.400 0.020 1 522 151 52 SER HA H 5.202 0.020 1 523 151 52 SER HB2 H 4.317 0.020 2 524 151 52 SER HB3 H 4.098 0.020 2 525 151 52 SER C C 173.449 0.400 1 526 151 52 SER CA C 54.329 0.400 1 527 151 52 SER CB C 62.936 0.400 1 528 151 52 SER N N 114.124 0.400 1 529 152 53 SER H H 9.921 0.020 1 530 152 53 SER HA H 4.333 0.020 1 531 152 53 SER HB2 H 4.061 0.020 2 532 152 53 SER HB3 H 4.061 0.020 2 533 152 53 SER C C 173.691 0.400 1 534 152 53 SER CA C 59.808 0.400 1 535 152 53 SER CB C 60.159 0.400 1 536 152 53 SER N N 122.659 0.400 1 537 153 54 ALA H H 8.393 0.020 1 538 153 54 ALA HA H 4.197 0.020 1 539 153 54 ALA HB H 1.521 0.020 1 540 153 54 ALA C C 177.141 0.400 1 541 153 54 ALA CA C 52.680 0.400 1 542 153 54 ALA CB C 15.716 0.400 1 543 153 54 ALA N N 121.888 0.400 1 544 154 55 ALA H H 7.490 0.020 1 545 154 55 ALA HA H 4.277 0.020 1 546 154 55 ALA HB H 1.638 0.020 1 547 154 55 ALA C C 177.897 0.400 1 548 154 55 ALA CA C 52.007 0.400 1 549 154 55 ALA CB C 16.591 0.400 1 550 154 55 ALA N N 118.529 0.400 1 551 155 56 CYS H H 8.502 0.020 1 552 155 56 CYS HA H 4.266 0.020 1 553 155 56 CYS HB2 H 3.171 0.020 2 554 155 56 CYS HB3 H 3.171 0.020 2 555 155 56 CYS C C 174.601 0.400 1 556 155 56 CYS CA C 58.871 0.400 1 557 155 56 CYS CB C 39.893 0.400 1 558 155 56 CYS N N 118.660 0.400 1 559 156 57 LEU H H 8.422 0.020 1 560 156 57 LEU HA H 4.189 0.020 1 561 156 57 LEU HB2 H 1.994 0.020 2 562 156 57 LEU HB3 H 1.646 0.020 2 563 156 57 LEU HG H 1.954 0.020 1 564 156 57 LEU HD1 H 0.985 0.020 2 565 156 57 LEU HD2 H 0.985 0.020 2 566 156 57 LEU C C 177.817 0.400 1 567 156 57 LEU CA C 55.681 0.400 1 568 156 57 LEU CB C 38.758 0.400 1 569 156 57 LEU CG C 24.780 0.400 1 570 156 57 LEU CD1 C 22.331 0.400 2 571 156 57 LEU CD2 C 20.451 0.400 2 572 156 57 LEU N N 120.354 0.400 1 573 157 58 ILE H H 7.697 0.020 1 574 157 58 ILE HA H 4.036 0.020 1 575 157 58 ILE HB H 2.021 0.020 1 576 157 58 ILE HG12 H 1.780 0.020 2 577 157 58 ILE HG13 H 1.340 0.020 2 578 157 58 ILE HG2 H 1.043 0.020 1 579 157 58 ILE HD1 H 0.957 0.020 1 580 157 58 ILE C C 175.927 0.400 1 581 157 58 ILE CA C 61.604 0.400 1 582 157 58 ILE CB C 35.631 0.400 1 583 157 58 ILE CG1 C 26.647 0.400 1 584 157 58 ILE CG2 C 14.910 0.400 1 585 157 58 ILE CD1 C 10.446 0.400 1 586 157 58 ILE N N 119.643 0.400 1 587 158 59 ALA H H 7.937 0.020 1 588 158 59 ALA HA H 4.282 0.020 1 589 158 59 ALA HB H 1.580 0.020 1 590 158 59 ALA C C 176.608 0.400 1 591 158 59 ALA CA C 52.464 0.400 1 592 158 59 ALA CB C 15.627 0.400 1 593 158 59 ALA N N 124.789 0.400 1 594 159 60 SER H H 8.677 0.020 1 595 159 60 SER HA H 4.285 0.020 1 596 159 60 SER HB2 H 4.144 0.020 2 597 159 60 SER HB3 H 4.054 0.020 2 598 159 60 SER C C 174.527 0.400 1 599 159 60 SER CA C 58.402 0.400 1 600 159 60 SER CB C 61.237 0.400 1 601 159 60 SER N N 111.608 0.400 1 602 160 61 ALA H H 7.954 0.020 1 603 160 61 ALA HA H 4.426 0.020 1 604 160 61 ALA HB H 1.630 0.020 1 605 160 61 ALA C C 177.711 0.400 1 606 160 61 ALA CA C 51.921 0.400 1 607 160 61 ALA CB C 15.947 0.400 1 608 160 61 ALA N N 122.474 0.400 1 609 161 62 GLY H H 8.294 0.020 1 610 161 62 GLY HA2 H 4.011 0.020 2 611 161 62 GLY HA3 H 4.011 0.020 2 612 161 62 GLY C C 172.507 0.400 1 613 161 62 GLY CA C 43.917 0.400 1 614 161 62 GLY N N 106.138 0.400 1 615 162 63 TYR H H 7.990 0.020 1 616 162 63 TYR HA H 4.816 0.020 1 617 162 63 TYR HB2 H 3.054 0.020 1 618 162 63 TYR HB3 H 3.498 0.020 1 619 162 63 TYR HD1 H 7.251 0.020 1 620 162 63 TYR HD2 H 7.251 0.020 1 621 162 63 TYR HE1 H 6.805 0.020 1 622 162 63 TYR HE2 H 6.805 0.020 1 623 162 63 TYR C C 174.568 0.400 1 624 162 63 TYR CA C 56.349 0.400 1 625 162 63 TYR CB C 36.137 0.400 1 626 162 63 TYR CD1 C 130.310 0.400 3 627 162 63 TYR CE1 C 115.552 0.400 3 628 162 63 TYR N N 118.426 0.400 1 629 163 64 GLN H H 7.893 0.020 1 630 163 64 GLN C C 172.789 0.400 1 631 163 64 GLN CA C 56.574 0.400 1 632 163 64 GLN N N 121.601 0.400 1 633 165 66 PHE C C 172.789 0.400 1 634 165 66 PHE CA C 54.671 0.400 1 635 166 67 CYS H H 7.881 0.020 1 636 166 67 CYS HA H 4.890 0.020 1 637 166 67 CYS HB2 H 3.086 0.020 2 638 166 67 CYS HB3 H 3.810 0.020 2 639 166 67 CYS C C 171.739 0.400 1 640 166 67 CYS CA C 53.061 0.400 1 641 166 67 CYS CB C 35.397 0.400 1 642 166 67 CYS N N 121.215 0.400 1 643 167 68 SER H H 9.452 0.020 1 644 167 68 SER HA H 4.705 0.020 1 645 167 68 SER HB2 H 3.968 0.020 2 646 167 68 SER HB3 H 3.750 0.020 2 647 167 68 SER CA C 52.646 0.400 1 648 167 68 SER CB C 61.157 0.400 1 649 167 68 SER N N 126.142 0.400 1 650 168 69 PRO HA H 4.372 0.020 1 651 168 69 PRO HB2 H 2.374 0.020 2 652 168 69 PRO HB3 H 1.936 0.020 2 653 168 69 PRO HG2 H 2.156 0.020 2 654 168 69 PRO HG3 H 2.156 0.020 2 655 168 69 PRO HD2 H 3.787 0.020 2 656 168 69 PRO HD3 H 3.689 0.020 2 657 168 69 PRO C C 175.544 0.400 1 658 168 69 PRO CA C 61.688 0.400 1 659 168 69 PRO CB C 29.280 0.400 1 660 168 69 PRO CG C 25.155 0.400 1 661 168 69 PRO CD C 47.496 0.400 1 662 169 70 GLY H H 9.899 0.020 1 663 169 70 GLY HA2 H 4.368 0.020 2 664 169 70 GLY HA3 H 4.368 0.020 2 665 169 70 GLY C C 171.739 0.400 1 666 169 70 GLY CA C 42.466 0.400 1 667 169 70 GLY N N 115.338 0.400 1 668 170 71 LYS H H 8.111 0.020 1 669 170 71 LYS HA H 4.601 0.020 1 670 170 71 LYS HB2 H 1.985 0.020 2 671 170 71 LYS HB3 H 1.985 0.020 2 672 170 71 LYS HG2 H 1.528 0.020 2 673 170 71 LYS HG3 H 1.528 0.020 2 674 170 71 LYS HD2 H 1.773 0.020 2 675 170 71 LYS HD3 H 1.773 0.020 2 676 170 71 LYS HE2 H 3.103 0.020 2 677 170 71 LYS HE3 H 3.103 0.020 2 678 170 71 LYS C C 172.579 0.400 1 679 170 71 LYS CA C 52.104 0.400 1 680 170 71 LYS CB C 31.372 0.400 1 681 170 71 LYS CG C 22.454 0.400 1 682 170 71 LYS CD C 26.483 0.400 1 683 170 71 LYS CE C 39.850 0.400 1 684 170 71 LYS N N 121.937 0.400 1 685 171 72 LEU H H 8.110 0.020 1 686 171 72 LEU HA H 3.886 0.020 1 687 171 72 LEU HB2 H 1.564 0.020 1 688 171 72 LEU HB3 H 1.663 0.020 1 689 171 72 LEU HG H 1.705 0.020 1 690 171 72 LEU HD1 H 0.906 0.020 2 691 171 72 LEU HD2 H 0.906 0.020 2 692 171 72 LEU C C 175.146 0.400 1 693 171 72 LEU CA C 54.224 0.400 1 694 171 72 LEU CB C 39.247 0.400 1 695 171 72 LEU CG C 24.161 0.400 1 696 171 72 LEU CD1 C 21.485 0.400 2 697 171 72 LEU CD2 C 21.741 0.400 2 698 171 72 LEU N N 122.875 0.400 1 699 172 73 ASN H H 8.587 0.020 1 700 172 73 ASN HA H 4.478 0.020 1 701 172 73 ASN HB2 H 3.342 0.020 2 702 172 73 ASN HB3 H 3.104 0.020 2 703 172 73 ASN HD21 H 7.514 0.020 2 704 172 73 ASN HD22 H 6.855 0.020 2 705 172 73 ASN C C 171.840 0.400 1 706 172 73 ASN CA C 52.665 0.400 1 707 172 73 ASN CB C 34.668 0.400 1 708 172 73 ASN N N 116.300 0.400 1 709 172 73 ASN ND2 N 112.127 0.400 1 710 173 74 SER H H 7.953 0.020 1 711 173 74 SER HA H 4.662 0.020 1 712 173 74 SER HB2 H 4.148 0.020 2 713 173 74 SER HB3 H 3.885 0.020 2 714 173 74 SER C C 172.345 0.400 1 715 173 74 SER CA C 56.176 0.400 1 716 173 74 SER CB C 61.010 0.400 1 717 173 74 SER N N 113.928 0.400 1 718 174 75 VAL H H 8.120 0.020 1 719 174 75 VAL HA H 4.927 0.020 1 720 174 75 VAL HB H 2.050 0.020 1 721 174 75 VAL HG1 H 0.816 0.020 1 722 174 75 VAL HG2 H 0.989 0.020 1 723 174 75 VAL C C 171.628 0.400 1 724 174 75 VAL CA C 59.551 0.400 1 725 174 75 VAL CB C 32.264 0.400 1 726 174 75 VAL CG1 C 18.322 0.400 2 727 174 75 VAL CG2 C 18.789 0.400 2 728 174 75 VAL N N 127.979 0.400 1 729 175 76 CYS H H 8.508 0.020 1 730 175 76 CYS HA H 5.235 0.020 1 731 175 76 CYS HB2 H 3.242 0.020 2 732 175 76 CYS HB3 H 2.992 0.020 2 733 175 76 CYS C C 171.981 0.400 1 734 175 76 CYS CA C 52.154 0.400 1 735 175 76 CYS CB C 45.325 0.400 1 736 175 76 CYS N N 121.371 0.400 1 737 176 77 ILE H H 9.188 0.020 1 738 176 77 ILE HA H 5.354 0.020 1 739 176 77 ILE HB H 1.720 0.020 1 740 176 77 ILE HG12 H 0.998 0.020 2 741 176 77 ILE HG13 H 1.567 0.020 2 742 176 77 ILE HG2 H 0.924 0.020 1 743 176 77 ILE HD1 H 0.634 0.020 1 744 176 77 ILE C C 172.382 0.400 1 745 176 77 ILE CA C 57.980 0.400 1 746 176 77 ILE CB C 37.993 0.400 1 747 176 77 ILE CG1 C 25.757 0.400 1 748 176 77 ILE CG2 C 14.426 0.400 1 749 176 77 ILE CD1 C 10.869 0.400 1 750 176 77 ILE N N 126.580 0.400 1 751 177 78 SER H H 9.365 0.020 1 752 177 78 SER HA H 5.048 0.020 1 753 177 78 SER HB2 H 3.925 0.020 2 754 177 78 SER HB3 H 3.925 0.020 2 755 177 78 SER C C 170.442 0.400 1 756 177 78 SER CA C 54.367 0.400 1 757 177 78 SER CB C 63.810 0.400 1 758 177 78 SER N N 121.397 0.400 1 759 178 79 CYS H H 8.572 0.020 1 760 178 79 CYS HA H 5.719 0.020 1 761 178 79 CYS HB2 H 2.984 0.020 1 762 178 79 CYS HB3 H 3.538 0.020 1 763 178 79 CYS C C 170.961 0.400 1 764 178 79 CYS CA C 51.448 0.400 1 765 178 79 CYS CB C 43.808 0.400 1 766 178 79 CYS N N 120.108 0.400 1 767 179 80 CYS H H 9.353 0.020 1 768 179 80 CYS HA H 5.249 0.020 1 769 179 80 CYS HB2 H 3.727 0.020 1 770 179 80 CYS HB3 H 3.422 0.020 1 771 179 80 CYS C C 170.945 0.400 1 772 179 80 CYS CA C 52.333 0.400 1 773 179 80 CYS CB C 43.552 0.400 1 774 179 80 CYS N N 119.977 0.400 1 775 180 81 ASN H H 8.696 0.020 1 776 180 81 ASN HA H 5.207 0.020 1 777 180 81 ASN HB2 H 3.512 0.020 1 778 180 81 ASN HB3 H 2.808 0.020 1 779 180 81 ASN HD21 H 7.602 0.020 2 780 180 81 ASN HD22 H 6.780 0.020 2 781 180 81 ASN C C 172.172 0.400 1 782 180 81 ASN CA C 50.330 0.400 1 783 180 81 ASN CB C 37.309 0.400 1 784 180 81 ASN N N 119.805 0.400 1 785 180 81 ASN ND2 N 109.561 0.400 1 786 181 82 THR H H 7.659 0.020 1 787 181 82 THR HA H 5.033 0.020 1 788 181 82 THR HB H 4.431 0.020 1 789 181 82 THR HG2 H 1.360 0.020 1 790 181 82 THR CA C 56.549 0.400 1 791 181 82 THR CB C 66.792 0.400 1 792 181 82 THR CG2 C 19.522 0.400 1 793 181 82 THR N N 111.784 0.400 1 794 182 83 PRO HA H 4.548 0.020 1 795 182 83 PRO HB2 H 2.461 0.020 2 796 182 83 PRO HB3 H 2.025 0.020 2 797 182 83 PRO HG2 H 2.347 0.020 2 798 182 83 PRO HG3 H 2.159 0.020 2 799 182 83 PRO HD2 H 3.944 0.020 2 800 182 83 PRO HD3 H 3.758 0.020 2 801 182 83 PRO C C 174.973 0.400 1 802 182 83 PRO CA C 61.549 0.400 1 803 182 83 PRO CB C 29.387 0.400 1 804 182 83 PRO CG C 26.094 0.400 1 805 182 83 PRO CD C 47.719 0.400 1 806 183 84 LEU H H 9.268 0.020 1 807 183 84 LEU HA H 3.556 0.020 1 808 183 84 LEU HB2 H 2.012 0.020 2 809 183 84 LEU HB3 H 1.571 0.020 2 810 183 84 LEU HG H 1.270 0.020 1 811 183 84 LEU HD1 H 0.110 0.020 2 812 183 84 LEU HD2 H 0.815 0.020 2 813 183 84 LEU C C 173.605 0.400 1 814 183 84 LEU CA C 53.060 0.400 1 815 183 84 LEU CB C 34.738 0.400 1 816 183 84 LEU CG C 23.805 0.400 1 817 183 84 LEU CD1 C 20.252 0.400 2 818 183 84 LEU CD2 C 22.747 0.400 2 819 183 84 LEU N N 116.319 0.400 1 820 184 85 CYS H H 7.538 0.020 1 821 184 85 CYS HA H 4.691 0.020 1 822 184 85 CYS HB2 H 3.795 0.020 2 823 184 85 CYS HB3 H 3.499 0.020 2 824 184 85 CYS C C 170.714 0.400 1 825 184 85 CYS CA C 53.791 0.400 1 826 184 85 CYS CB C 43.145 0.400 1 827 184 85 CYS N N 111.379 0.400 1 828 185 86 ASN H H 8.596 0.020 1 829 185 86 ASN HA H 4.505 0.020 1 830 185 86 ASN HB2 H 3.053 0.020 1 831 185 86 ASN HB3 H 2.463 0.020 1 832 185 86 ASN HD21 H 8.525 0.020 2 833 185 86 ASN HD22 H 7.250 0.020 2 834 185 86 ASN CA C 50.905 0.400 1 835 185 86 ASN CB C 36.746 0.400 1 836 185 86 ASN N N 125.899 0.400 1 837 185 86 ASN ND2 N 112.613 0.400 1 stop_ save_