data_34548 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the cis-(Tyr39-Pro40) form of the Human Secreted Ly-6/uPAR Related Protein-1 (SLURP-1) ; _BMRB_accession_number 34548 _BMRB_flat_file_name bmr34548.str _Entry_type original _Submission_date 2020-08-04 _Accession_date 2020-08-04 _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 Paramonov A. S. . 2 Lyukmanova E. N. . 3 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" 447 "13C chemical shifts" 319 "15N chemical shifts" 82 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2021-01-06 original BMRB . stop_ _Original_release_date 2020-09-01 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of the trans-(Tyr39-Pro40) form of the Human Secreted Ly-6/uPAR Related Protein-1 (SLURP-1) ; _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 Paramonov A. S. . 2 Shenkarev Z. O. . 3 Lyukmanova E. N. . 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 'Secreted Ly-6/uPAR-related 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 8992.360 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 82 _Mol_residue_sequence ; MLKCYTCKEPMTSASCRTIT RCKPEDTACMTTLVTVEAEY PFNQSPVVTRSCSSSCVATD PDSIGAAHLIFCCFRDLCNS EL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 100 MET 2 101 LEU 3 102 LYS 4 103 CYS 5 104 TYR 6 105 THR 7 106 CYS 8 107 LYS 9 108 GLU 10 109 PRO 11 110 MET 12 111 THR 13 112 SER 14 113 ALA 15 114 SER 16 115 CYS 17 116 ARG 18 117 THR 19 118 ILE 20 119 THR 21 120 ARG 22 121 CYS 23 122 LYS 24 123 PRO 25 124 GLU 26 125 ASP 27 126 THR 28 127 ALA 29 128 CYS 30 129 MET 31 130 THR 32 131 THR 33 132 LEU 34 133 VAL 35 134 THR 36 135 VAL 37 136 GLU 38 137 ALA 39 138 GLU 40 139 TYR 41 140 PRO 42 141 PHE 43 142 ASN 44 143 GLN 45 144 SER 46 145 PRO 47 146 VAL 48 147 VAL 49 148 THR 50 149 ARG 51 150 SER 52 151 CYS 53 152 SER 54 153 SER 55 154 SER 56 155 CYS 57 156 VAL 58 157 ALA 59 158 THR 60 159 ASP 61 160 PRO 62 161 ASP 63 162 SER 64 163 ILE 65 164 GLY 66 165 ALA 67 166 ALA 68 167 HIS 69 168 LEU 70 169 ILE 71 170 PHE 72 171 CYS 73 172 CYS 74 173 PHE 75 174 ARG 76 175 ASP 77 176 LEU 78 177 CYS 79 178 ASN 80 179 SER 81 180 GLU 82 181 LEU 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 'SLURP1, ARS' 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' . . . . plasmid pET-22b(+) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.3 mM [U-15N] SLURP-1, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.3 mM [U-15N] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.3 mM [U-13C; U-15N] SLURP-1, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.3 mM '[U-13C; U-15N]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '0.3 mM [U-13C; U-15N] SLURP-1, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.3 mM '[U-13C; U-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 'structure calculation' stop_ _Details . save_ save_software_2 _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_3 _Saveframe_category software _Name TopSpin _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 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_ save_software_5 _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'peak picking' 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 . save_ save_NMR_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_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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' 10 5 mM pH 4.7 0.05 pH pressure 1 . atm temperature 310 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 2.7 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 . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-1H NOESY' '3D HNCO' '3D HNCA' '3D HNCACB' '2D 1H-13C HSQC' '3D HCCH-TOCSY' '3D HNHA' '3D 1H-15N TOCSY' '3D HN(CO)CA' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 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 1 100 1 MET HA H 4.207 0.020 1 2 100 1 MET HB2 H 2.069 0.020 2 3 100 1 MET HB3 H 2.133 0.020 2 4 100 1 MET HG2 H 2.578 0.020 2 5 100 1 MET HG3 H 2.578 0.020 2 6 100 1 MET C C 168.726 0.400 1 7 100 1 MET CA C 52.120 0.400 1 8 100 1 MET CB C 29.018 0.400 1 9 100 1 MET CG C 28.406 0.400 1 10 101 2 LEU H H 8.754 0.020 1 11 101 2 LEU HA H 4.634 0.020 1 12 101 2 LEU HB2 H 1.369 0.020 2 13 101 2 LEU HB3 H 1.318 0.020 2 14 101 2 LEU HG H 1.498 0.020 1 15 101 2 LEU HD1 H 0.633 0.020 1 16 101 2 LEU HD2 H 0.734 0.020 1 17 101 2 LEU C C 172.405 0.400 1 18 101 2 LEU CA C 51.876 0.400 1 19 101 2 LEU CB C 42.021 0.400 1 20 101 2 LEU CG C 23.738 0.400 1 21 101 2 LEU CD1 C 22.188 0.400 2 22 101 2 LEU CD2 C 19.885 0.400 2 23 101 2 LEU N N 127.862 0.400 1 24 102 3 LYS H H 7.879 0.020 1 25 102 3 LYS HA H 5.261 0.020 1 26 102 3 LYS HB2 H 1.384 0.020 2 27 102 3 LYS HB3 H 1.340 0.020 2 28 102 3 LYS HG2 H 1.356 0.020 2 29 102 3 LYS HG3 H 1.219 0.020 2 30 102 3 LYS HD2 H 1.476 0.020 2 31 102 3 LYS HD3 H 1.529 0.020 2 32 102 3 LYS HE2 H 2.804 0.020 2 33 102 3 LYS HE3 H 2.804 0.020 2 34 102 3 LYS C C 172.781 0.400 1 35 102 3 LYS CA C 51.592 0.400 1 36 102 3 LYS CB C 32.019 0.400 1 37 102 3 LYS CG C 21.370 0.400 1 38 102 3 LYS CD C 26.286 0.400 1 39 102 3 LYS CE C 38.304 0.400 1 40 102 3 LYS N N 121.006 0.400 1 41 103 4 CYS H H 8.427 0.020 1 42 103 4 CYS HA H 4.946 0.020 1 43 103 4 CYS HB2 H 2.331 0.020 1 44 103 4 CYS HB3 H 3.002 0.020 1 45 103 4 CYS C C 171.906 0.400 1 46 103 4 CYS CA C 48.998 0.400 1 47 103 4 CYS CB C 38.912 0.400 1 48 103 4 CYS N N 117.708 0.400 1 49 104 5 TYR H H 8.442 0.020 1 50 104 5 TYR HA H 5.136 0.020 1 51 104 5 TYR HB2 H 2.621 0.020 1 52 104 5 TYR HB3 H 2.906 0.020 1 53 104 5 TYR HD1 H 6.667 0.020 1 54 104 5 TYR HD2 H 6.667 0.020 1 55 104 5 TYR HE1 H 6.789 0.020 1 56 104 5 TYR HE2 H 6.789 0.020 1 57 104 5 TYR C C 174.465 0.400 1 58 104 5 TYR CA C 55.542 0.400 1 59 104 5 TYR CB C 34.783 0.400 1 60 104 5 TYR N N 121.098 0.400 1 61 105 6 THR H H 9.312 0.020 1 62 105 6 THR HA H 4.624 0.020 1 63 105 6 THR HB H 4.167 0.020 1 64 105 6 THR HG2 H 1.037 0.020 1 65 105 6 THR C C 171.076 0.400 1 66 105 6 THR CA C 57.375 0.400 1 67 105 6 THR CB C 70.082 0.400 1 68 105 6 THR CG2 C 19.140 0.400 1 69 105 6 THR N N 110.634 0.400 1 70 106 7 CYS H H 8.260 0.020 1 71 106 7 CYS HA H 4.842 0.020 1 72 106 7 CYS HB2 H 3.650 0.020 1 73 106 7 CYS HB3 H 3.994 0.020 1 74 106 7 CYS C C 171.023 0.400 1 75 106 7 CYS CA C 54.234 0.400 1 76 106 7 CYS CB C 43.098 0.400 1 77 106 7 CYS N N 109.134 0.400 1 78 107 8 LYS H H 8.624 0.020 1 79 107 8 LYS HA H 4.368 0.020 1 80 107 8 LYS HB2 H 1.920 0.020 2 81 107 8 LYS HB3 H 1.875 0.020 2 82 107 8 LYS HG2 H 1.511 0.020 2 83 107 8 LYS HG3 H 1.511 0.020 2 84 107 8 LYS HD2 H 1.751 0.020 2 85 107 8 LYS HD3 H 1.751 0.020 2 86 107 8 LYS HE2 H 3.046 0.020 2 87 107 8 LYS HE3 H 3.046 0.020 2 88 107 8 LYS C C 173.484 0.400 1 89 107 8 LYS CA C 54.209 0.400 1 90 107 8 LYS CB C 30.567 0.400 1 91 107 8 LYS CG C 21.901 0.400 1 92 107 8 LYS CD C 25.976 0.400 1 93 107 8 LYS CE C 38.760 0.400 1 94 107 8 LYS N N 120.821 0.400 1 95 108 9 GLU H H 7.627 0.020 1 96 108 9 GLU HA H 4.728 0.020 1 97 108 9 GLU HB2 H 1.880 0.020 2 98 108 9 GLU HB3 H 2.065 0.020 2 99 108 9 GLU HG2 H 2.206 0.020 2 100 108 9 GLU HG3 H 2.228 0.020 2 101 108 9 GLU CA C 49.712 0.400 1 102 108 9 GLU CB C 27.002 0.400 1 103 108 9 GLU CG C 32.641 0.400 1 104 108 9 GLU N N 118.533 0.400 1 105 109 10 PRO HA H 4.557 0.020 1 106 109 10 PRO HB2 H 1.868 0.020 2 107 109 10 PRO HB3 H 1.772 0.020 2 108 109 10 PRO HG2 H 2.107 0.020 2 109 109 10 PRO HG3 H 1.798 0.020 2 110 109 10 PRO HD2 H 3.752 0.020 2 111 109 10 PRO HD3 H 3.613 0.020 2 112 109 10 PRO C C 174.858 0.400 1 113 109 10 PRO CA C 59.633 0.400 1 114 109 10 PRO CB C 28.574 0.400 1 115 109 10 PRO CG C 24.653 0.400 1 116 109 10 PRO CD C 47.020 0.400 1 117 110 11 MET H H 9.017 0.020 1 118 110 11 MET HA H 4.827 0.020 1 119 110 11 MET HB2 H 2.404 0.020 2 120 110 11 MET HB3 H 2.043 0.020 2 121 110 11 MET HG2 H 2.774 0.020 2 122 110 11 MET HG3 H 2.774 0.020 2 123 110 11 MET HE H 2.201 0.020 1 124 110 11 MET C C 172.405 0.400 1 125 110 11 MET CA C 51.502 0.400 1 126 110 11 MET CB C 34.636 0.400 1 127 110 11 MET CG C 29.005 0.400 1 128 110 11 MET CE C 14.205 0.400 1 129 110 11 MET N N 122.942 0.400 1 130 111 12 THR H H 8.300 0.020 1 131 111 12 THR HA H 4.540 0.020 1 132 111 12 THR HB H 4.526 0.020 1 133 111 12 THR HG2 H 1.329 0.020 1 134 111 12 THR C C 173.361 0.400 1 135 111 12 THR CA C 59.003 0.400 1 136 111 12 THR CB C 66.636 0.400 1 137 111 12 THR CG2 C 19.160 0.400 1 138 111 12 THR N N 110.520 0.400 1 139 112 13 SER H H 8.800 0.020 1 140 112 13 SER HA H 3.884 0.020 1 141 112 13 SER HB2 H 3.812 0.020 2 142 112 13 SER HB3 H 3.937 0.020 2 143 112 13 SER C C 175.037 0.400 1 144 112 13 SER CA C 57.909 0.400 1 145 112 13 SER CB C 59.416 0.400 1 146 112 13 SER N N 115.512 0.400 1 147 113 14 ALA H H 8.331 0.020 1 148 113 14 ALA HA H 4.011 0.020 1 149 113 14 ALA HB H 1.383 0.020 1 150 113 14 ALA C C 175.364 0.400 1 151 113 14 ALA CA C 51.061 0.400 1 152 113 14 ALA CB C 15.544 0.400 1 153 113 14 ALA N N 118.939 0.400 1 154 114 15 SER H H 7.561 0.020 1 155 114 15 SER HA H 4.515 0.020 1 156 114 15 SER HB2 H 3.881 0.020 2 157 114 15 SER HB3 H 3.968 0.020 2 158 114 15 SER C C 171.489 0.400 1 159 114 15 SER CA C 55.891 0.400 1 160 114 15 SER CB C 61.376 0.400 1 161 114 15 SER N N 110.843 0.400 1 162 115 16 CYS H H 7.576 0.020 1 163 115 16 CYS HA H 5.081 0.020 1 164 115 16 CYS HB2 H 2.720 0.020 1 165 115 16 CYS HB3 H 3.129 0.020 1 166 115 16 CYS C C 172.266 0.400 1 167 115 16 CYS CA C 53.227 0.400 1 168 115 16 CYS CB C 41.064 0.400 1 169 115 16 CYS N N 124.537 0.400 1 170 116 17 ARG H H 7.869 0.020 1 171 116 17 ARG HA H 4.495 0.020 1 172 116 17 ARG HB2 H 1.361 0.020 1 173 116 17 ARG HB3 H 1.992 0.020 1 174 116 17 ARG HG2 H 0.896 0.020 2 175 116 17 ARG HG3 H 1.291 0.020 2 176 116 17 ARG HD2 H 2.636 0.020 2 177 116 17 ARG HD3 H 2.636 0.020 2 178 116 17 ARG HE H 6.519 0.020 1 179 116 17 ARG C C 172.863 0.400 1 180 116 17 ARG CA C 51.903 0.400 1 181 116 17 ARG CB C 28.608 0.400 1 182 116 17 ARG CG C 24.147 0.400 1 183 116 17 ARG CD C 39.913 0.400 1 184 116 17 ARG N N 121.872 0.400 1 185 116 17 ARG NE N 84.476 0.400 1 186 117 18 THR H H 8.309 0.020 1 187 117 18 THR HA H 4.311 0.020 1 188 117 18 THR HB H 4.427 0.020 1 189 117 18 THR HG2 H 1.167 0.020 1 190 117 18 THR C C 172.200 0.400 1 191 117 18 THR CA C 61.472 0.400 1 192 117 18 THR CB C 65.533 0.400 1 193 117 18 THR CG2 C 18.523 0.400 1 194 117 18 THR N N 119.541 0.400 1 195 118 19 ILE H H 8.949 0.020 1 196 118 19 ILE HA H 3.924 0.020 1 197 118 19 ILE HB H 1.750 0.020 1 198 118 19 ILE HG12 H 1.893 0.020 2 199 118 19 ILE HG13 H 0.697 0.020 2 200 118 19 ILE HG2 H 0.676 0.020 1 201 118 19 ILE HD1 H 0.968 0.020 1 202 118 19 ILE C C 173.230 0.400 1 203 118 19 ILE CA C 60.351 0.400 1 204 118 19 ILE CB C 34.735 0.400 1 205 118 19 ILE CG1 C 25.773 0.400 1 206 118 19 ILE CG2 C 14.100 0.400 1 207 118 19 ILE CD1 C 10.330 0.400 1 208 118 19 ILE N N 129.953 0.400 1 209 119 20 THR H H 8.711 0.020 1 210 119 20 THR HA H 4.475 0.020 1 211 119 20 THR HB H 3.803 0.020 1 212 119 20 THR HG2 H 1.107 0.020 1 213 119 20 THR C C 170.026 0.400 1 214 119 20 THR CA C 58.200 0.400 1 215 119 20 THR CB C 67.794 0.400 1 216 119 20 THR CG2 C 18.421 0.400 1 217 119 20 THR N N 126.753 0.400 1 218 120 21 ARG H H 8.549 0.020 1 219 120 21 ARG HA H 4.293 0.020 1 220 120 21 ARG HB2 H 1.769 0.020 1 221 120 21 ARG HB3 H 1.886 0.020 1 222 120 21 ARG HG2 H 1.693 0.020 2 223 120 21 ARG HG3 H 1.693 0.020 2 224 120 21 ARG HD2 H 3.243 0.020 2 225 120 21 ARG HD3 H 3.243 0.020 2 226 120 21 ARG HE H 7.250 0.020 1 227 120 21 ARG C C 172.634 0.400 1 228 120 21 ARG CA C 53.380 0.400 1 229 120 21 ARG CB C 26.640 0.400 1 230 120 21 ARG CG C 24.403 0.400 1 231 120 21 ARG CD C 40.395 0.400 1 232 120 21 ARG N N 126.298 0.400 1 233 120 21 ARG NE N 84.894 0.400 1 234 121 22 CYS H H 8.747 0.020 1 235 121 22 CYS HA H 4.774 0.020 1 236 121 22 CYS HB2 H 2.884 0.020 1 237 121 22 CYS HB3 H 4.390 0.020 1 238 121 22 CYS C C 172.274 0.400 1 239 121 22 CYS CA C 48.887 0.400 1 240 121 22 CYS CB C 33.669 0.400 1 241 121 22 CYS N N 125.959 0.400 1 242 122 23 LYS H H 8.576 0.020 1 243 122 23 LYS HA H 4.489 0.020 1 244 122 23 LYS HB2 H 1.640 0.020 1 245 122 23 LYS HB3 H 2.070 0.020 1 246 122 23 LYS HG2 H 1.568 0.020 2 247 122 23 LYS HG3 H 1.689 0.020 2 248 122 23 LYS HD2 H 1.794 0.020 2 249 122 23 LYS HD3 H 1.794 0.020 2 250 122 23 LYS HE2 H 3.081 0.020 2 251 122 23 LYS HE3 H 3.081 0.020 2 252 122 23 LYS CA C 52.781 0.400 1 253 122 23 LYS CB C 27.458 0.400 1 254 122 23 LYS CG C 22.132 0.400 1 255 122 23 LYS CD C 25.728 0.400 1 256 122 23 LYS CE C 38.645 0.400 1 257 122 23 LYS N N 119.892 0.400 1 258 123 24 PRO HA H 4.249 0.020 1 259 123 24 PRO HB2 H 2.430 0.020 2 260 123 24 PRO HB3 H 1.965 0.020 2 261 123 24 PRO HG2 H 2.259 0.020 2 262 123 24 PRO HG3 H 2.066 0.020 2 263 123 24 PRO HD2 H 3.892 0.020 2 264 123 24 PRO HD3 H 3.849 0.020 2 265 123 24 PRO C C 174.710 0.400 1 266 123 24 PRO CA C 63.009 0.400 1 267 123 24 PRO CB C 28.688 0.400 1 268 123 24 PRO CG C 24.837 0.400 1 269 123 24 PRO CD C 47.139 0.400 1 270 124 25 GLU H H 8.892 0.020 1 271 124 25 GLU HA H 4.222 0.020 1 272 124 25 GLU HB2 H 2.084 0.020 2 273 124 25 GLU HB3 H 2.084 0.020 2 274 124 25 GLU HG2 H 2.278 0.020 2 275 124 25 GLU HG3 H 2.278 0.020 2 276 124 25 GLU C C 173.582 0.400 1 277 124 25 GLU CA C 54.020 0.400 1 278 124 25 GLU CB C 25.773 0.400 1 279 124 25 GLU CG C 32.891 0.400 1 280 124 25 GLU N N 112.877 0.400 1 281 125 26 ASP H H 7.675 0.020 1 282 125 26 ASP HA H 4.514 0.020 1 283 125 26 ASP HB2 H 2.932 0.020 1 284 125 26 ASP HB3 H 2.412 0.020 1 285 125 26 ASP C C 174.105 0.400 1 286 125 26 ASP CA C 53.162 0.400 1 287 125 26 ASP CB C 37.075 0.400 1 288 125 26 ASP N N 120.983 0.400 1 289 126 27 THR H H 8.139 0.020 1 290 126 27 THR HA H 4.445 0.020 1 291 126 27 THR HB H 4.553 0.020 1 292 126 27 THR HG2 H 1.290 0.020 1 293 126 27 THR C C 170.810 0.400 1 294 126 27 THR CA C 57.795 0.400 1 295 126 27 THR CB C 68.080 0.400 1 296 126 27 THR CG2 C 18.894 0.400 1 297 126 27 THR N N 110.714 0.400 1 298 127 28 ALA H H 8.408 0.020 1 299 127 28 ALA HA H 4.969 0.020 1 300 127 28 ALA HB H 1.249 0.020 1 301 127 28 ALA C C 172.699 0.400 1 302 127 28 ALA CA C 47.826 0.400 1 303 127 28 ALA CB C 21.011 0.400 1 304 127 28 ALA N N 123.060 0.400 1 305 128 29 CYS H H 8.764 0.020 1 306 128 29 CYS HA H 5.405 0.020 1 307 128 29 CYS HB2 H 2.845 0.020 1 308 128 29 CYS HB3 H 3.129 0.020 1 309 128 29 CYS C C 171.375 0.400 1 310 128 29 CYS CA C 49.138 0.400 1 311 128 29 CYS CB C 33.728 0.400 1 312 128 29 CYS N N 115.816 0.400 1 313 129 30 MET H H 9.366 0.020 1 314 129 30 MET HA H 5.485 0.020 1 315 129 30 MET HB2 H 1.725 0.020 1 316 129 30 MET HB3 H 2.212 0.020 1 317 129 30 MET HG2 H 2.637 0.020 2 318 129 30 MET HG3 H 2.373 0.020 2 319 129 30 MET HE H 2.046 0.020 1 320 129 30 MET C C 173.427 0.400 1 321 129 30 MET CA C 51.630 0.400 1 322 129 30 MET CB C 35.308 0.400 1 323 129 30 MET CG C 28.604 0.400 1 324 129 30 MET CE C 14.162 0.400 1 325 129 30 MET N N 126.078 0.400 1 326 130 31 THR H H 8.903 0.020 1 327 130 31 THR HA H 5.177 0.020 1 328 130 31 THR HB H 4.117 0.020 1 329 130 31 THR HG2 H 1.245 0.020 1 330 130 31 THR C C 170.173 0.400 1 331 130 31 THR CA C 59.260 0.400 1 332 130 31 THR CB C 68.549 0.400 1 333 130 31 THR CG2 C 18.292 0.400 1 334 130 31 THR N N 123.706 0.400 1 335 131 32 THR H H 9.284 0.020 1 336 131 32 THR HA H 5.110 0.020 1 337 131 32 THR HB H 4.122 0.020 1 338 131 32 THR HG2 H 0.980 0.020 1 339 131 32 THR C C 170.703 0.400 1 340 131 32 THR CA C 58.370 0.400 1 341 131 32 THR CB C 66.519 0.400 1 342 131 32 THR CG2 C 17.746 0.400 1 343 131 32 THR N N 123.644 0.400 1 344 132 33 LEU H H 9.113 0.020 1 345 132 33 LEU HA H 4.783 0.020 1 346 132 33 LEU HB2 H 1.590 0.020 2 347 132 33 LEU HB3 H 2.071 0.020 2 348 132 33 LEU HG H 1.654 0.020 1 349 132 33 LEU HD1 H 1.004 0.020 2 350 132 33 LEU HD2 H 1.004 0.020 2 351 132 33 LEU C C 173.296 0.400 1 352 132 33 LEU CA C 51.904 0.400 1 353 132 33 LEU CB C 40.772 0.400 1 354 132 33 LEU CG C 24.988 0.400 1 355 132 33 LEU CD1 C 21.989 0.400 2 356 132 33 LEU CD2 C 22.811 0.400 2 357 132 33 LEU N N 128.357 0.400 1 358 133 34 VAL H H 8.634 0.020 1 359 133 34 VAL HA H 4.117 0.020 1 360 133 34 VAL HB H 1.937 0.020 1 361 133 34 VAL HG1 H 0.880 0.020 2 362 133 34 VAL HG2 H 0.880 0.020 2 363 133 34 VAL C C 173.288 0.400 1 364 133 34 VAL CA C 59.945 0.400 1 365 133 34 VAL CB C 29.536 0.400 1 366 133 34 VAL CG1 C 17.941 0.400 2 367 133 34 VAL CG2 C 18.203 0.400 2 368 133 34 VAL N N 126.345 0.400 1 369 134 35 THR H H 7.962 0.020 1 370 134 35 THR HA H 4.470 0.020 1 371 134 35 THR HB H 4.208 0.020 1 372 134 35 THR HG2 H 1.160 0.020 1 373 134 35 THR C C 171.146 0.400 1 374 134 35 THR CA C 58.365 0.400 1 375 134 35 THR CB C 66.576 0.400 1 376 134 35 THR CG2 C 18.299 0.400 1 377 134 35 THR N N 116.526 0.400 1 378 135 36 VAL H H 8.161 0.020 1 379 135 36 VAL HA H 4.285 0.020 1 380 135 36 VAL HB H 2.117 0.020 1 381 135 36 VAL HG1 H 0.922 0.020 2 382 135 36 VAL HG2 H 0.922 0.020 2 383 135 36 VAL C C 173.010 0.400 1 384 135 36 VAL CA C 58.622 0.400 1 385 135 36 VAL CB C 30.236 0.400 1 386 135 36 VAL CG1 C 18.264 0.400 2 387 135 36 VAL CG2 C 17.170 0.400 2 388 135 36 VAL N N 121.426 0.400 1 389 136 37 GLU H H 8.417 0.020 1 390 136 37 GLU HA H 4.347 0.020 1 391 136 37 GLU HB2 H 1.933 0.020 2 392 136 37 GLU HB3 H 2.091 0.020 2 393 136 37 GLU HG2 H 2.269 0.020 2 394 136 37 GLU HG3 H 2.269 0.020 2 395 136 37 GLU C C 172.863 0.400 1 396 136 37 GLU CA C 53.312 0.400 1 397 136 37 GLU CB C 26.839 0.400 1 398 136 37 GLU CG C 32.887 0.400 1 399 136 37 GLU N N 123.625 0.400 1 400 137 38 ALA H H 8.310 0.020 1 401 137 38 ALA HA H 4.443 0.020 1 402 137 38 ALA HB H 1.437 0.020 1 403 137 38 ALA C C 174.146 0.400 1 404 137 38 ALA CA C 49.144 0.400 1 405 137 38 ALA CB C 16.981 0.400 1 406 137 38 ALA N N 125.048 0.400 1 407 138 39 GLU H H 8.108 0.020 1 408 138 39 GLU HA H 4.449 0.020 1 409 138 39 GLU HB2 H 1.977 0.020 2 410 138 39 GLU HB3 H 2.130 0.020 2 411 138 39 GLU HG2 H 2.331 0.020 2 412 138 39 GLU HG3 H 2.331 0.020 2 413 138 39 GLU C C 172.192 0.400 1 414 138 39 GLU CA C 52.265 0.400 1 415 138 39 GLU CB C 28.150 0.400 1 416 138 39 GLU CG C 32.852 0.400 1 417 138 39 GLU N N 118.662 0.400 1 418 139 40 TYR H H 8.372 0.020 1 419 139 40 TYR HA H 4.102 0.020 1 420 139 40 TYR HB2 H 2.838 0.020 2 421 139 40 TYR HB3 H 3.009 0.020 2 422 139 40 TYR HD1 H 7.049 0.020 1 423 139 40 TYR HD2 H 7.049 0.020 1 424 139 40 TYR CA C 53.598 0.400 1 425 139 40 TYR CB C 36.271 0.400 1 426 139 40 TYR N N 123.909 0.400 1 427 140 41 PRO HA H 3.394 0.020 1 428 140 41 PRO HB2 H 1.182 0.020 2 429 140 41 PRO HB3 H 1.750 0.020 2 430 140 41 PRO HG2 H 1.061 0.020 2 431 140 41 PRO HG3 H 1.560 0.020 2 432 140 41 PRO HD2 H 3.241 0.020 2 433 140 41 PRO HD3 H 3.107 0.020 2 434 140 41 PRO C C 172.961 0.400 1 435 140 41 PRO CA C 60.263 0.400 1 436 140 41 PRO CB C 29.852 0.400 1 437 140 41 PRO CG C 20.891 0.400 1 438 140 41 PRO CD C 46.539 0.400 1 439 141 42 PHE H H 8.304 0.020 1 440 141 42 PHE HA H 4.536 0.020 1 441 141 42 PHE HB2 H 3.093 0.020 2 442 141 42 PHE HB3 H 3.286 0.020 2 443 141 42 PHE HD1 H 7.266 0.020 1 444 141 42 PHE HD2 H 7.266 0.020 1 445 141 42 PHE HE1 H 7.403 0.020 1 446 141 42 PHE HE2 H 7.403 0.020 1 447 141 42 PHE C C 172.953 0.400 1 448 141 42 PHE CA C 55.133 0.400 1 449 141 42 PHE CB C 35.108 0.400 1 450 141 42 PHE N N 123.353 0.400 1 451 142 43 ASN H H 8.285 0.020 1 452 142 43 ASN HA H 4.660 0.020 1 453 142 43 ASN HB2 H 2.856 0.020 2 454 142 43 ASN HB3 H 2.741 0.020 2 455 142 43 ASN HD21 H 7.538 0.020 2 456 142 43 ASN HD22 H 6.855 0.020 2 457 142 43 ASN C C 172.119 0.400 1 458 142 43 ASN CA C 50.245 0.400 1 459 142 43 ASN CB C 35.363 0.400 1 460 142 43 ASN N N 118.075 0.400 1 461 142 43 ASN ND2 N 111.905 0.400 1 462 143 44 GLN H H 8.156 0.020 1 463 143 44 GLN HA H 4.380 0.020 1 464 143 44 GLN HB2 H 1.973 0.020 2 465 143 44 GLN HB3 H 2.168 0.020 2 466 143 44 GLN HG2 H 2.346 0.020 2 467 143 44 GLN HG3 H 2.346 0.020 2 468 143 44 GLN HE21 H 7.496 0.020 2 469 143 44 GLN HE22 H 6.855 0.020 2 470 143 44 GLN C C 172.822 0.400 1 471 143 44 GLN CA C 52.792 0.400 1 472 143 44 GLN CB C 26.579 0.400 1 473 143 44 GLN CG C 30.835 0.400 1 474 143 44 GLN N N 119.628 0.400 1 475 143 44 GLN NE2 N 112.052 0.400 1 476 144 45 SER H H 8.248 0.020 1 477 144 45 SER HA H 4.830 0.020 1 478 144 45 SER HB2 H 3.813 0.020 2 479 144 45 SER HB3 H 3.905 0.020 2 480 144 45 SER CA C 53.218 0.400 1 481 144 45 SER CB C 60.633 0.400 1 482 144 45 SER N N 117.221 0.400 1 483 145 46 PRO HA H 4.476 0.020 1 484 145 46 PRO HB2 H 2.208 0.020 2 485 145 46 PRO HB3 H 1.736 0.020 2 486 145 46 PRO HG2 H 1.997 0.020 2 487 145 46 PRO HG3 H 1.997 0.020 2 488 145 46 PRO HD2 H 3.805 0.020 2 489 145 46 PRO HD3 H 3.691 0.020 2 490 145 46 PRO C C 173.002 0.400 1 491 145 46 PRO CA C 60.083 0.400 1 492 145 46 PRO CB C 29.352 0.400 1 493 145 46 PRO CG C 24.307 0.400 1 494 145 46 PRO CD C 47.670 0.400 1 495 146 47 VAL H H 8.218 0.020 1 496 146 47 VAL HA H 4.305 0.020 1 497 146 47 VAL HB H 1.863 0.020 1 498 146 47 VAL HG1 H 0.763 0.020 2 499 146 47 VAL HG2 H 0.856 0.020 2 500 146 47 VAL CA C 58.265 0.400 1 501 146 47 VAL CB C 30.081 0.400 1 502 146 47 VAL CG1 C 19.088 0.400 2 503 146 47 VAL CG2 C 17.381 0.400 2 504 146 47 VAL N N 120.050 0.400 1 505 147 48 VAL H H 9.077 0.020 1 506 147 48 VAL HA H 5.691 0.020 1 507 147 48 VAL HB H 2.256 0.020 1 508 147 48 VAL HG1 H 0.694 0.020 2 509 147 48 VAL HG2 H 0.773 0.020 2 510 147 48 VAL CA C 55.388 0.400 1 511 147 48 VAL CB C 32.761 0.400 1 512 147 48 VAL CG1 C 15.023 0.400 2 513 147 48 VAL CG2 C 19.137 0.400 2 514 147 48 VAL N N 117.271 0.400 1 515 148 49 THR H H 8.442 0.020 1 516 148 49 THR HA H 4.906 0.020 1 517 148 49 THR HB H 4.236 0.020 1 518 148 49 THR HG2 H 0.937 0.020 1 519 148 49 THR C C 171.816 0.400 1 520 148 49 THR CA C 58.020 0.400 1 521 148 49 THR CB C 67.765 0.400 1 522 148 49 THR CG2 C 18.598 0.400 1 523 148 49 THR N N 107.103 0.400 1 524 149 50 ARG H H 7.623 0.020 1 525 149 50 ARG HA H 5.631 0.020 1 526 149 50 ARG HB2 H 2.171 0.020 1 527 149 50 ARG HB3 H 1.569 0.020 1 528 149 50 ARG HG2 H 1.712 0.020 2 529 149 50 ARG HG3 H 2.247 0.020 2 530 149 50 ARG HD2 H 3.184 0.020 2 531 149 50 ARG HD3 H 3.184 0.020 2 532 149 50 ARG HE H 6.011 0.020 1 533 149 50 ARG C C 173.378 0.400 1 534 149 50 ARG CA C 51.979 0.400 1 535 149 50 ARG CB C 33.261 0.400 1 536 149 50 ARG CG C 27.616 0.400 1 537 149 50 ARG CD C 39.968 0.400 1 538 149 50 ARG N N 120.370 0.400 1 539 149 50 ARG NE N 89.377 0.400 1 540 150 51 SER H H 8.709 0.020 1 541 150 51 SER HA H 4.790 0.020 1 542 150 51 SER HB2 H 3.874 0.020 2 543 150 51 SER HB3 H 3.874 0.020 2 544 150 51 SER C C 171.473 0.400 1 545 150 51 SER CA C 54.647 0.400 1 546 150 51 SER CB C 63.412 0.400 1 547 150 51 SER N N 113.789 0.400 1 548 151 52 CYS H H 8.473 0.020 1 549 151 52 CYS HA H 5.141 0.020 1 550 151 52 CYS HB2 H 3.189 0.020 1 551 151 52 CYS HB3 H 3.127 0.020 1 552 151 52 CYS C C 173.280 0.400 1 553 151 52 CYS CA C 55.095 0.400 1 554 151 52 CYS CB C 42.021 0.400 1 555 151 52 CYS N N 120.824 0.400 1 556 152 53 SER H H 9.052 0.020 1 557 152 53 SER HA H 4.834 0.020 1 558 152 53 SER HB2 H 3.688 0.020 1 559 152 53 SER HB3 H 3.235 0.020 1 560 152 53 SER C C 171.203 0.400 1 561 152 53 SER CA C 54.771 0.400 1 562 152 53 SER CB C 62.761 0.400 1 563 152 53 SER N N 115.253 0.400 1 564 153 54 SER H H 8.783 0.020 1 565 153 54 SER HA H 4.930 0.020 1 566 153 54 SER HB2 H 4.160 0.020 1 567 153 54 SER HB3 H 4.010 0.020 1 568 153 54 SER C C 172.176 0.400 1 569 153 54 SER CA C 55.479 0.400 1 570 153 54 SER CB C 61.137 0.400 1 571 153 54 SER N N 120.787 0.400 1 572 154 55 SER H H 8.300 0.020 1 573 154 55 SER HA H 4.555 0.020 1 574 154 55 SER HB2 H 3.872 0.020 1 575 154 55 SER HB3 H 3.717 0.020 1 576 154 55 SER C C 169.952 0.400 1 577 154 55 SER CA C 54.084 0.400 1 578 154 55 SER CB C 60.141 0.400 1 579 154 55 SER N N 117.808 0.400 1 580 155 56 CYS H H 8.668 0.020 1 581 155 56 CYS HA H 4.372 0.020 1 582 155 56 CYS HB2 H 2.619 0.020 1 583 155 56 CYS HB3 H 3.007 0.020 1 584 155 56 CYS C C 171.146 0.400 1 585 155 56 CYS CA C 55.638 0.400 1 586 155 56 CYS CB C 37.300 0.400 1 587 155 56 CYS N N 125.978 0.400 1 588 156 57 VAL H H 8.239 0.020 1 589 156 57 VAL HA H 4.165 0.020 1 590 156 57 VAL HB H 1.984 0.020 1 591 156 57 VAL HG1 H 0.928 0.020 1 592 156 57 VAL HG2 H 0.890 0.020 1 593 156 57 VAL C C 171.603 0.400 1 594 156 57 VAL CA C 58.943 0.400 1 595 156 57 VAL CB C 30.381 0.400 1 596 156 57 VAL CG1 C 17.976 0.400 2 597 156 57 VAL CG2 C 17.460 0.400 2 598 156 57 VAL N N 129.527 0.400 1 599 157 58 ALA H H 8.414 0.020 1 600 157 58 ALA HA H 4.142 0.020 1 601 157 58 ALA HB H 1.438 0.020 1 602 157 58 ALA C C 175.610 0.400 1 603 157 58 ALA CA C 49.047 0.400 1 604 157 58 ALA CB C 16.567 0.400 1 605 157 58 ALA N N 130.280 0.400 1 606 158 59 THR H H 8.219 0.020 1 607 158 59 THR HA H 4.214 0.020 1 608 158 59 THR HB H 4.039 0.020 1 609 158 59 THR HG2 H 1.318 0.020 1 610 158 59 THR C C 171.710 0.400 1 611 158 59 THR CA C 59.207 0.400 1 612 158 59 THR CB C 66.814 0.400 1 613 158 59 THR CG2 C 19.192 0.400 1 614 158 59 THR N N 115.127 0.400 1 615 159 60 ASP H H 8.548 0.020 1 616 159 60 ASP HA H 4.858 0.020 1 617 159 60 ASP HB2 H 2.682 0.020 1 618 159 60 ASP HB3 H 2.782 0.020 1 619 159 60 ASP CA C 49.315 0.400 1 620 159 60 ASP CB C 38.260 0.400 1 621 159 60 ASP N N 125.274 0.400 1 622 160 61 PRO HA H 4.380 0.020 1 623 160 61 PRO HB2 H 2.025 0.020 2 624 160 61 PRO HB3 H 2.363 0.020 2 625 160 61 PRO HG2 H 2.071 0.020 2 626 160 61 PRO HG3 H 2.071 0.020 2 627 160 61 PRO HD2 H 3.956 0.020 2 628 160 61 PRO HD3 H 3.875 0.020 2 629 160 61 PRO C C 174.326 0.400 1 630 160 61 PRO CA C 61.319 0.400 1 631 160 61 PRO CB C 29.002 0.400 1 632 160 61 PRO CG C 24.222 0.400 1 633 160 61 PRO CD C 48.009 0.400 1 634 161 62 ASP H H 8.402 0.020 1 635 161 62 ASP HA H 4.709 0.020 1 636 161 62 ASP HB2 H 2.706 0.020 2 637 161 62 ASP HB3 H 2.780 0.020 2 638 161 62 ASP C C 173.598 0.400 1 639 161 62 ASP CA C 51.383 0.400 1 640 161 62 ASP CB C 37.609 0.400 1 641 161 62 ASP N N 116.981 0.400 1 642 162 63 SER H H 7.865 0.020 1 643 162 63 SER HA H 4.477 0.020 1 644 162 63 SER HB2 H 3.913 0.020 2 645 162 63 SER HB3 H 3.913 0.020 2 646 162 63 SER C C 171.881 0.400 1 647 162 63 SER CA C 55.371 0.400 1 648 162 63 SER CB C 60.763 0.400 1 649 162 63 SER N N 115.678 0.400 1 650 163 64 ILE H H 8.098 0.020 1 651 163 64 ILE HA H 4.190 0.020 1 652 163 64 ILE HB H 1.917 0.020 1 653 163 64 ILE HG12 H 1.533 0.020 2 654 163 64 ILE HG13 H 1.249 0.020 2 655 163 64 ILE HG2 H 0.946 0.020 1 656 163 64 ILE HD1 H 0.901 0.020 1 657 163 64 ILE C C 174.441 0.400 1 658 163 64 ILE CA C 58.539 0.400 1 659 163 64 ILE CB C 35.563 0.400 1 660 163 64 ILE CG1 C 24.379 0.400 1 661 163 64 ILE CG2 C 14.416 0.400 1 662 163 64 ILE CD1 C 9.943 0.400 1 663 163 64 ILE N N 122.425 0.400 1 664 164 65 GLY H H 8.564 0.020 1 665 164 65 GLY HA2 H 3.991 0.020 1 666 164 65 GLY HA3 H 3.881 0.020 1 667 164 65 GLY C C 171.530 0.400 1 668 164 65 GLY CA C 42.342 0.400 1 669 164 65 GLY N N 112.830 0.400 1 670 165 66 ALA H H 7.901 0.020 1 671 165 66 ALA HA H 4.318 0.020 1 672 165 66 ALA HB H 1.388 0.020 1 673 165 66 ALA C C 174.596 0.400 1 674 165 66 ALA CA C 49.188 0.400 1 675 165 66 ALA CB C 16.158 0.400 1 676 165 66 ALA N N 123.606 0.400 1 677 166 67 ALA H H 8.243 0.020 1 678 166 67 ALA HA H 4.232 0.020 1 679 166 67 ALA HB H 1.330 0.020 1 680 166 67 ALA C C 174.637 0.400 1 681 166 67 ALA CA C 49.778 0.400 1 682 166 67 ALA CB C 16.171 0.400 1 683 166 67 ALA N N 122.736 0.400 1 684 167 68 HIS H H 7.931 0.020 1 685 167 68 HIS HA H 4.987 0.020 1 686 167 68 HIS HB2 H 3.022 0.020 1 687 167 68 HIS HB3 H 3.181 0.020 1 688 167 68 HIS HD2 H 7.150 0.020 1 689 167 68 HIS HE1 H 8.459 0.020 1 690 167 68 HIS C C 170.835 0.400 1 691 167 68 HIS CA C 51.148 0.400 1 692 167 68 HIS CB C 27.221 0.400 1 693 167 68 HIS CD2 C 119.043 0.400 1 694 167 68 HIS CE1 C 136.075 0.400 1 695 167 68 HIS N N 114.237 0.400 1 696 168 69 LEU H H 8.371 0.020 1 697 168 69 LEU HA H 4.480 0.020 1 698 168 69 LEU HB2 H 1.708 0.020 1 699 168 69 LEU HB3 H 1.402 0.020 1 700 168 69 LEU HG H 1.597 0.020 1 701 168 69 LEU HD1 H 0.968 0.020 2 702 168 69 LEU HD2 H 0.875 0.020 2 703 168 69 LEU C C 172.045 0.400 1 704 168 69 LEU CA C 52.044 0.400 1 705 168 69 LEU CB C 40.719 0.400 1 706 168 69 LEU CG C 24.162 0.400 1 707 168 69 LEU CD1 C 22.243 0.400 2 708 168 69 LEU CD2 C 20.887 0.400 2 709 168 69 LEU N N 123.034 0.400 1 710 169 70 ILE H H 8.097 0.020 1 711 169 70 ILE HA H 4.907 0.020 1 712 169 70 ILE HB H 1.775 0.020 1 713 169 70 ILE HG12 H 1.491 0.020 2 714 169 70 ILE HG13 H 1.217 0.020 2 715 169 70 ILE HG2 H 0.872 0.020 1 716 169 70 ILE HD1 H 0.873 0.020 1 717 169 70 ILE C C 172.715 0.400 1 718 169 70 ILE CA C 56.856 0.400 1 719 169 70 ILE CB C 37.464 0.400 1 720 169 70 ILE CG1 C 24.743 0.400 1 721 169 70 ILE CG2 C 15.972 0.400 1 722 169 70 ILE CD1 C 10.306 0.400 1 723 169 70 ILE N N 121.493 0.400 1 724 170 71 PHE H H 9.246 0.020 1 725 170 71 PHE HA H 4.930 0.020 1 726 170 71 PHE HB2 H 2.823 0.020 1 727 170 71 PHE HB3 H 3.209 0.020 1 728 170 71 PHE HD1 H 7.173 0.020 1 729 170 71 PHE HD2 H 7.173 0.020 1 730 170 71 PHE HE1 H 7.240 0.020 1 731 170 71 PHE HE2 H 7.240 0.020 1 732 170 71 PHE HZ H 7.408 0.020 1 733 170 71 PHE C C 172.315 0.400 1 734 170 71 PHE CA C 52.803 0.400 1 735 170 71 PHE CB C 38.773 0.400 1 736 170 71 PHE N N 125.500 0.400 1 737 171 72 CYS H H 8.577 0.020 1 738 171 72 CYS HA H 5.361 0.020 1 739 171 72 CYS HB2 H 2.697 0.020 2 740 171 72 CYS HB3 H 2.697 0.020 2 741 171 72 CYS C C 170.124 0.400 1 742 171 72 CYS CA C 49.869 0.400 1 743 171 72 CYS CB C 42.371 0.400 1 744 171 72 CYS N N 118.630 0.400 1 745 172 73 CYS H H 8.679 0.020 1 746 172 73 CYS HA H 4.459 0.020 1 747 172 73 CYS HB2 H 3.458 0.020 1 748 172 73 CYS HB3 H 3.253 0.020 1 749 172 73 CYS C C 171.097 0.400 1 750 172 73 CYS CA C 51.892 0.400 1 751 172 73 CYS CB C 41.131 0.400 1 752 172 73 CYS N N 118.255 0.400 1 753 173 74 PHE H H 8.810 0.020 1 754 173 74 PHE HA H 5.148 0.020 1 755 173 74 PHE HB2 H 2.813 0.020 1 756 173 74 PHE HB3 H 3.753 0.020 1 757 173 74 PHE HD1 H 7.501 0.020 1 758 173 74 PHE HD2 H 7.501 0.020 1 759 173 74 PHE HE1 H 7.366 0.020 1 760 173 74 PHE HE2 H 7.366 0.020 1 761 173 74 PHE C C 172.413 0.400 1 762 173 74 PHE CA C 55.243 0.400 1 763 173 74 PHE CB C 37.440 0.400 1 764 173 74 PHE N N 119.428 0.400 1 765 174 75 ARG H H 7.450 0.020 1 766 174 75 ARG HA H 4.774 0.020 1 767 174 75 ARG HB2 H 1.708 0.020 1 768 174 75 ARG HB3 H 1.912 0.020 1 769 174 75 ARG HG2 H 1.691 0.020 2 770 174 75 ARG HG3 H 1.691 0.020 2 771 174 75 ARG HD2 H 3.296 0.020 2 772 174 75 ARG HD3 H 3.296 0.020 2 773 174 75 ARG HE H 7.290 0.020 1 774 174 75 ARG C C 171.497 0.400 1 775 174 75 ARG CA C 51.136 0.400 1 776 174 75 ARG CB C 31.229 0.400 1 777 174 75 ARG CG C 24.044 0.400 1 778 174 75 ARG CD C 40.191 0.400 1 779 174 75 ARG N N 119.247 0.400 1 780 174 75 ARG NE N 85.065 0.400 1 781 175 76 ASP H H 8.290 0.020 1 782 175 76 ASP HA H 4.846 0.020 1 783 175 76 ASP HB2 H 2.519 0.020 1 784 175 76 ASP HB3 H 2.279 0.020 1 785 175 76 ASP C C 174.784 0.400 1 786 175 76 ASP CA C 52.514 0.400 1 787 175 76 ASP CB C 38.535 0.400 1 788 175 76 ASP N N 119.844 0.400 1 789 176 77 LEU H H 9.298 0.020 1 790 176 77 LEU HA H 3.344 0.020 1 791 176 77 LEU HB2 H 1.844 0.020 1 792 176 77 LEU HB3 H 1.426 0.020 1 793 176 77 LEU HG H 1.112 0.020 1 794 176 77 LEU HD1 H 0.744 0.020 1 795 176 77 LEU HD2 H -0.117 0.020 1 796 176 77 LEU C C 173.737 0.400 1 797 176 77 LEU CA C 52.139 0.400 1 798 176 77 LEU CB C 33.886 0.400 1 799 176 77 LEU CG C 23.391 0.400 1 800 176 77 LEU CD1 C 22.066 0.400 2 801 176 77 LEU CD2 C 18.760 0.400 2 802 176 77 LEU N N 114.448 0.400 1 803 177 78 CYS H H 7.834 0.020 1 804 177 78 CYS HA H 4.547 0.020 1 805 177 78 CYS HB2 H 3.507 0.020 1 806 177 78 CYS HB3 H 3.269 0.020 1 807 177 78 CYS C C 172.298 0.400 1 808 177 78 CYS CA C 53.532 0.400 1 809 177 78 CYS CB C 41.582 0.400 1 810 177 78 CYS N N 112.101 0.400 1 811 178 79 ASN H H 9.014 0.020 1 812 178 79 ASN HA H 4.778 0.020 1 813 178 79 ASN HB2 H 2.884 0.020 1 814 178 79 ASN HB3 H 2.529 0.020 1 815 178 79 ASN CA C 49.564 0.400 1 816 178 79 ASN CB C 33.138 0.400 1 817 178 79 ASN N N 122.157 0.400 1 818 179 80 SER H H 7.482 0.020 1 819 179 80 SER HA H 3.945 0.020 1 820 179 80 SER HB2 H 3.753 0.020 2 821 179 80 SER HB3 H 3.753 0.020 2 822 179 80 SER C C 171.980 0.400 1 823 179 80 SER CA C 55.092 0.400 1 824 179 80 SER CB C 59.118 0.400 1 825 179 80 SER N N 109.444 0.400 1 826 180 81 GLU H H 7.936 0.020 1 827 180 81 GLU HA H 4.359 0.020 1 828 180 81 GLU HB2 H 1.783 0.020 1 829 180 81 GLU HB3 H 2.008 0.020 1 830 180 81 GLU HG2 H 2.156 0.020 2 831 180 81 GLU HG3 H 2.205 0.020 2 832 180 81 GLU CA C 52.226 0.400 1 833 180 81 GLU CB C 28.439 0.400 1 834 180 81 GLU CG C 32.399 0.400 1 835 180 81 GLU N N 120.035 0.400 1 836 181 82 LEU H H 7.911 0.020 1 837 181 82 LEU HA H 3.989 0.020 1 838 181 82 LEU HB2 H 1.336 0.020 2 839 181 82 LEU HB3 H 1.336 0.020 2 840 181 82 LEU HG H 1.375 0.020 1 841 181 82 LEU HD1 H 0.619 0.020 2 842 181 82 LEU HD2 H 0.693 0.020 2 843 181 82 LEU CA C 53.452 0.400 1 844 181 82 LEU CB C 40.101 0.400 1 845 181 82 LEU CG C 24.288 0.400 1 846 181 82 LEU CD1 C 21.090 0.400 2 847 181 82 LEU CD2 C 22.256 0.400 2 848 181 82 LEU N N 127.265 0.400 1 stop_ save_