data_34547 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the trans-(Tyr39-Pro40) form of the Human Secreted Ly-6/uPAR Related Protein-1 (SLURP-1) ; _BMRB_accession_number 34547 _BMRB_flat_file_name bmr34547.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" 441 "13C chemical shifts" 301 "15N chemical shifts" 81 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_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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 . 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' '3D HCCH-TOCSY' '3D HNHA' '3D 1H-15N TOCSY' '3D HN(CO)CA' '2D 1H-13C HSQC' 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 8.282 0.020 1 131 111 12 THR HA H 4.534 0.020 1 132 111 12 THR HB H 4.553 0.020 1 133 111 12 THR HG2 H 1.327 0.020 1 134 111 12 THR CA C 59.025 0.400 1 135 111 12 THR CG2 C 19.090 0.400 1 136 111 12 THR N N 110.441 0.400 1 137 112 13 SER H H 8.739 0.020 1 138 112 13 SER HA H 3.890 0.020 1 139 112 13 SER HB2 H 3.814 0.020 2 140 112 13 SER HB3 H 3.960 0.020 2 141 112 13 SER CA C 57.930 0.400 1 142 112 13 SER CB C 59.493 0.400 1 143 112 13 SER N N 115.495 0.400 1 144 113 14 ALA H H 8.374 0.020 1 145 113 14 ALA HA H 4.015 0.020 1 146 113 14 ALA HB H 1.379 0.020 1 147 113 14 ALA N N 119.080 0.400 1 148 114 15 SER H H 7.561 0.020 1 149 114 15 SER HA H 4.515 0.020 1 150 114 15 SER HB2 H 3.881 0.020 2 151 114 15 SER HB3 H 3.968 0.020 2 152 114 15 SER C C 171.489 0.400 1 153 114 15 SER CA C 55.891 0.400 1 154 114 15 SER CB C 61.376 0.400 1 155 114 15 SER N N 110.843 0.400 1 156 115 16 CYS H H 7.576 0.020 1 157 115 16 CYS HA H 5.081 0.020 1 158 115 16 CYS HB2 H 2.720 0.020 1 159 115 16 CYS HB3 H 3.129 0.020 1 160 115 16 CYS C C 172.266 0.400 1 161 115 16 CYS CA C 53.227 0.400 1 162 115 16 CYS CB C 41.064 0.400 1 163 115 16 CYS N N 124.537 0.400 1 164 116 17 ARG H H 7.869 0.020 1 165 116 17 ARG HA H 4.495 0.020 1 166 116 17 ARG HB2 H 1.361 0.020 1 167 116 17 ARG HB3 H 1.992 0.020 1 168 116 17 ARG HG2 H 0.896 0.020 2 169 116 17 ARG HG3 H 1.291 0.020 2 170 116 17 ARG HD2 H 2.636 0.020 2 171 116 17 ARG HD3 H 2.636 0.020 2 172 116 17 ARG HE H 6.519 0.020 1 173 116 17 ARG C C 172.863 0.400 1 174 116 17 ARG CA C 51.903 0.400 1 175 116 17 ARG CB C 28.608 0.400 1 176 116 17 ARG CG C 24.147 0.400 1 177 116 17 ARG CD C 39.913 0.400 1 178 116 17 ARG N N 121.872 0.400 1 179 116 17 ARG NE N 84.476 0.400 1 180 117 18 THR H H 8.309 0.020 1 181 117 18 THR HA H 4.311 0.020 1 182 117 18 THR HB H 4.427 0.020 1 183 117 18 THR HG2 H 1.167 0.020 1 184 117 18 THR C C 172.200 0.400 1 185 117 18 THR CA C 61.472 0.400 1 186 117 18 THR CB C 65.533 0.400 1 187 117 18 THR CG2 C 18.523 0.400 1 188 117 18 THR N N 119.541 0.400 1 189 118 19 ILE H H 8.949 0.020 1 190 118 19 ILE HA H 3.924 0.020 1 191 118 19 ILE HB H 1.750 0.020 1 192 118 19 ILE HG12 H 1.893 0.020 2 193 118 19 ILE HG13 H 0.697 0.020 2 194 118 19 ILE HG2 H 0.676 0.020 1 195 118 19 ILE HD1 H 0.968 0.020 1 196 118 19 ILE C C 173.230 0.400 1 197 118 19 ILE CA C 60.351 0.400 1 198 118 19 ILE CB C 34.735 0.400 1 199 118 19 ILE CG1 C 25.773 0.400 1 200 118 19 ILE CG2 C 14.100 0.400 1 201 118 19 ILE CD1 C 10.330 0.400 1 202 118 19 ILE N N 129.953 0.400 1 203 119 20 THR H H 8.711 0.020 1 204 119 20 THR HA H 4.475 0.020 1 205 119 20 THR HB H 3.803 0.020 1 206 119 20 THR HG2 H 1.107 0.020 1 207 119 20 THR C C 170.026 0.400 1 208 119 20 THR CA C 58.200 0.400 1 209 119 20 THR CB C 67.794 0.400 1 210 119 20 THR CG2 C 18.421 0.400 1 211 119 20 THR N N 126.753 0.400 1 212 120 21 ARG H H 8.549 0.020 1 213 120 21 ARG HA H 4.293 0.020 1 214 120 21 ARG HB2 H 1.769 0.020 1 215 120 21 ARG HB3 H 1.886 0.020 1 216 120 21 ARG HG2 H 1.693 0.020 2 217 120 21 ARG HG3 H 1.693 0.020 2 218 120 21 ARG HD2 H 3.243 0.020 2 219 120 21 ARG HD3 H 3.243 0.020 2 220 120 21 ARG HE H 7.250 0.020 1 221 120 21 ARG C C 172.634 0.400 1 222 120 21 ARG CA C 53.380 0.400 1 223 120 21 ARG CB C 26.640 0.400 1 224 120 21 ARG CG C 24.403 0.400 1 225 120 21 ARG CD C 40.395 0.400 1 226 120 21 ARG N N 126.298 0.400 1 227 120 21 ARG NE N 84.894 0.400 1 228 121 22 CYS H H 8.747 0.020 1 229 121 22 CYS HA H 4.774 0.020 1 230 121 22 CYS HB2 H 2.884 0.020 1 231 121 22 CYS HB3 H 4.390 0.020 1 232 121 22 CYS C C 172.274 0.400 1 233 121 22 CYS CA C 48.887 0.400 1 234 121 22 CYS CB C 33.669 0.400 1 235 121 22 CYS N N 125.959 0.400 1 236 122 23 LYS H H 8.576 0.020 1 237 122 23 LYS HA H 4.489 0.020 1 238 122 23 LYS HB2 H 1.640 0.020 1 239 122 23 LYS HB3 H 2.070 0.020 1 240 122 23 LYS HG2 H 1.568 0.020 2 241 122 23 LYS HG3 H 1.689 0.020 2 242 122 23 LYS HD2 H 1.794 0.020 2 243 122 23 LYS HD3 H 1.794 0.020 2 244 122 23 LYS HE2 H 3.081 0.020 2 245 122 23 LYS HE3 H 3.081 0.020 2 246 122 23 LYS CA C 52.781 0.400 1 247 122 23 LYS CB C 27.458 0.400 1 248 122 23 LYS CG C 22.132 0.400 1 249 122 23 LYS CD C 25.728 0.400 1 250 122 23 LYS CE C 38.645 0.400 1 251 122 23 LYS N N 119.892 0.400 1 252 123 24 PRO HA H 4.249 0.020 1 253 123 24 PRO HB2 H 2.430 0.020 2 254 123 24 PRO HB3 H 1.965 0.020 2 255 123 24 PRO HG2 H 2.259 0.020 2 256 123 24 PRO HG3 H 2.066 0.020 2 257 123 24 PRO HD2 H 3.892 0.020 2 258 123 24 PRO HD3 H 3.849 0.020 2 259 123 24 PRO C C 174.710 0.400 1 260 123 24 PRO CA C 63.009 0.400 1 261 123 24 PRO CB C 28.688 0.400 1 262 123 24 PRO CG C 24.837 0.400 1 263 123 24 PRO CD C 47.139 0.400 1 264 124 25 GLU H H 8.892 0.020 1 265 124 25 GLU HA H 4.222 0.020 1 266 124 25 GLU HB2 H 2.084 0.020 2 267 124 25 GLU HB3 H 2.084 0.020 2 268 124 25 GLU HG2 H 2.278 0.020 2 269 124 25 GLU HG3 H 2.278 0.020 2 270 124 25 GLU C C 173.582 0.400 1 271 124 25 GLU CA C 54.020 0.400 1 272 124 25 GLU CB C 25.773 0.400 1 273 124 25 GLU CG C 32.891 0.400 1 274 124 25 GLU N N 112.877 0.400 1 275 125 26 ASP H H 7.675 0.020 1 276 125 26 ASP HA H 4.514 0.020 1 277 125 26 ASP HB2 H 2.932 0.020 1 278 125 26 ASP HB3 H 2.412 0.020 1 279 125 26 ASP C C 174.105 0.400 1 280 125 26 ASP CA C 53.162 0.400 1 281 125 26 ASP CB C 37.075 0.400 1 282 125 26 ASP N N 120.983 0.400 1 283 126 27 THR H H 8.139 0.020 1 284 126 27 THR HA H 4.445 0.020 1 285 126 27 THR HB H 4.553 0.020 1 286 126 27 THR HG2 H 1.290 0.020 1 287 126 27 THR C C 170.810 0.400 1 288 126 27 THR CA C 57.795 0.400 1 289 126 27 THR CB C 68.080 0.400 1 290 126 27 THR CG2 C 18.894 0.400 1 291 126 27 THR N N 110.714 0.400 1 292 127 28 ALA H H 8.408 0.020 1 293 127 28 ALA HA H 4.969 0.020 1 294 127 28 ALA HB H 1.249 0.020 1 295 127 28 ALA C C 172.699 0.400 1 296 127 28 ALA CA C 47.826 0.400 1 297 127 28 ALA CB C 21.011 0.400 1 298 127 28 ALA N N 123.060 0.400 1 299 128 29 CYS H H 8.764 0.020 1 300 128 29 CYS HA H 5.405 0.020 1 301 128 29 CYS HB2 H 2.845 0.020 1 302 128 29 CYS HB3 H 3.129 0.020 1 303 128 29 CYS C C 171.375 0.400 1 304 128 29 CYS CA C 49.138 0.400 1 305 128 29 CYS CB C 33.728 0.400 1 306 128 29 CYS N N 115.816 0.400 1 307 129 30 MET H H 9.366 0.020 1 308 129 30 MET HA H 5.485 0.020 1 309 129 30 MET HB2 H 1.725 0.020 1 310 129 30 MET HB3 H 2.212 0.020 1 311 129 30 MET HG2 H 2.637 0.020 2 312 129 30 MET HG3 H 2.373 0.020 2 313 129 30 MET HE H 2.046 0.020 1 314 129 30 MET C C 173.427 0.400 1 315 129 30 MET CA C 51.630 0.400 1 316 129 30 MET CB C 35.308 0.400 1 317 129 30 MET CG C 28.604 0.400 1 318 129 30 MET CE C 14.162 0.400 1 319 129 30 MET N N 126.078 0.400 1 320 130 31 THR H H 8.903 0.020 1 321 130 31 THR HA H 5.177 0.020 1 322 130 31 THR HB H 4.117 0.020 1 323 130 31 THR HG2 H 1.245 0.020 1 324 130 31 THR C C 170.173 0.400 1 325 130 31 THR CA C 59.260 0.400 1 326 130 31 THR CB C 68.549 0.400 1 327 130 31 THR CG2 C 18.292 0.400 1 328 130 31 THR N N 123.706 0.400 1 329 131 32 THR H H 9.284 0.020 1 330 131 32 THR HA H 5.110 0.020 1 331 131 32 THR HB H 4.122 0.020 1 332 131 32 THR HG2 H 0.980 0.020 1 333 131 32 THR C C 170.703 0.400 1 334 131 32 THR CA C 58.370 0.400 1 335 131 32 THR CB C 66.519 0.400 1 336 131 32 THR CG2 C 17.746 0.400 1 337 131 32 THR N N 123.644 0.400 1 338 132 33 LEU H H 9.132 0.020 1 339 132 33 LEU HA H 4.749 0.020 1 340 132 33 LEU HB2 H 1.566 0.020 2 341 132 33 LEU HB3 H 2.086 0.020 2 342 132 33 LEU HG H 1.655 0.020 1 343 132 33 LEU HD1 H 1.002 0.020 2 344 132 33 LEU HD2 H 1.002 0.020 2 345 132 33 LEU CA C 51.916 0.400 1 346 132 33 LEU CB C 40.734 0.400 1 347 132 33 LEU CG C 24.966 0.400 1 348 132 33 LEU CD1 C 21.968 0.400 2 349 132 33 LEU CD2 C 22.764 0.400 2 350 132 33 LEU N N 128.424 0.400 1 351 133 34 VAL H H 8.781 0.020 1 352 133 34 VAL HA H 4.073 0.020 1 353 133 34 VAL HB H 1.917 0.020 1 354 133 34 VAL HG1 H 0.878 0.020 2 355 133 34 VAL HG2 H 0.878 0.020 2 356 133 34 VAL CA C 60.262 0.400 1 357 133 34 VAL CB C 29.588 0.400 1 358 133 34 VAL CG1 C 18.048 0.400 2 359 133 34 VAL N N 126.950 0.400 1 360 134 35 THR H H 7.870 0.020 1 361 134 35 THR HA H 4.473 0.020 1 362 134 35 THR HB H 4.187 0.020 1 363 134 35 THR HG2 H 1.156 0.020 1 364 134 35 THR CA C 58.340 0.400 1 365 134 35 THR CB C 66.590 0.400 1 366 134 35 THR CG2 C 18.280 0.400 1 367 134 35 THR N N 115.286 0.400 1 368 135 36 VAL H H 8.142 0.020 1 369 135 36 VAL HA H 4.291 0.020 1 370 135 36 VAL HB H 2.101 0.020 1 371 135 36 VAL HG1 H 0.925 0.020 2 372 135 36 VAL HG2 H 0.925 0.020 2 373 135 36 VAL CA C 58.549 0.400 1 374 135 36 VAL CB C 30.204 0.400 1 375 135 36 VAL CG1 C 18.242 0.400 2 376 135 36 VAL CG2 C 17.153 0.400 2 377 135 36 VAL N N 121.196 0.400 1 378 136 37 GLU H H 8.424 0.020 1 379 136 37 GLU HA H 4.322 0.020 1 380 136 37 GLU HB2 H 2.301 0.020 2 381 136 37 GLU HB3 H 2.301 0.020 2 382 136 37 GLU HG2 H 1.947 0.020 2 383 136 37 GLU HG3 H 2.107 0.020 2 384 136 37 GLU C C 173.288 0.400 1 385 136 37 GLU CA C 53.456 0.400 1 386 136 37 GLU CB C 32.388 0.400 1 387 136 37 GLU CG C 26.904 0.400 1 388 136 37 GLU N N 123.911 0.400 1 389 137 38 ALA H H 8.292 0.020 1 390 137 38 ALA HA H 4.288 0.020 1 391 137 38 ALA HB H 1.382 0.020 1 392 137 38 ALA C C 174.678 0.400 1 393 137 38 ALA CA C 49.707 0.400 1 394 137 38 ALA CB C 16.293 0.400 1 395 137 38 ALA N N 124.105 0.400 1 396 138 39 GLU H H 8.137 0.020 1 397 138 39 GLU HA H 4.262 0.020 1 398 138 39 GLU HB2 H 1.914 0.020 2 399 138 39 GLU HB3 H 1.914 0.020 2 400 138 39 GLU HG2 H 2.118 0.020 2 401 138 39 GLU HG3 H 2.197 0.020 2 402 138 39 GLU C C 172.903 0.400 1 403 138 39 GLU CA C 53.603 0.400 1 404 138 39 GLU CB C 26.856 0.400 1 405 138 39 GLU CG C 32.490 0.400 1 406 138 39 GLU N N 117.459 0.400 1 407 139 40 TYR H H 7.916 0.020 1 408 139 40 TYR HA H 4.796 0.020 1 409 139 40 TYR HB2 H 2.845 0.020 2 410 139 40 TYR HB3 H 2.960 0.020 2 411 139 40 TYR HD1 H 7.119 0.020 1 412 139 40 TYR HD2 H 7.119 0.020 1 413 139 40 TYR CA C 52.684 0.400 1 414 139 40 TYR CB C 35.389 0.400 1 415 139 40 TYR N N 119.908 0.400 1 416 140 41 PRO HA H 4.340 0.020 1 417 140 41 PRO HB2 H 1.669 0.020 2 418 140 41 PRO HB3 H 2.134 0.020 2 419 140 41 PRO HG2 H 1.916 0.020 2 420 140 41 PRO HG3 H 1.781 0.020 2 421 140 41 PRO HD2 H 3.406 0.020 2 422 140 41 PRO HD3 H 3.686 0.020 2 423 140 41 PRO CA C 60.669 0.400 1 424 140 41 PRO CB C 28.512 0.400 1 425 140 41 PRO CG C 24.178 0.400 1 426 140 41 PRO CD C 47.504 0.400 1 427 141 42 PHE H H 7.755 0.020 1 428 141 42 PHE HA H 4.603 0.020 1 429 141 42 PHE HB2 H 3.091 0.020 2 430 141 42 PHE HB3 H 3.249 0.020 2 431 141 42 PHE C C 172.895 0.400 1 432 141 42 PHE CA C 54.567 0.400 1 433 141 42 PHE CB C 35.676 0.400 1 434 141 42 PHE N N 117.257 0.400 1 435 142 43 ASN H H 8.101 0.020 1 436 142 43 ASN HA H 4.655 0.020 1 437 142 43 ASN HB2 H 2.759 0.020 2 438 142 43 ASN HB3 H 2.873 0.020 2 439 142 43 ASN C C 172.536 0.400 1 440 142 43 ASN CA C 50.310 0.400 1 441 142 43 ASN CB C 35.355 0.400 1 442 142 43 ASN N N 118.560 0.400 1 443 143 44 GLN H H 8.222 0.020 1 444 143 44 GLN HA H 4.379 0.020 1 445 143 44 GLN HB2 H 2.009 0.020 2 446 143 44 GLN HB3 H 2.176 0.020 2 447 143 44 GLN HG2 H 2.353 0.020 2 448 143 44 GLN HG3 H 2.353 0.020 2 449 143 44 GLN HE21 H 7.454 0.020 2 450 143 44 GLN HE22 H 6.803 0.020 2 451 143 44 GLN CA C 52.922 0.400 1 452 143 44 GLN CB C 26.499 0.400 1 453 143 44 GLN CG C 30.855 0.400 1 454 143 44 GLN N N 119.234 0.400 1 455 143 44 GLN NE2 N 111.891 0.400 1 456 144 45 SER H H 8.248 0.020 1 457 144 45 SER HA H 4.830 0.020 1 458 144 45 SER HB2 H 3.813 0.020 2 459 144 45 SER HB3 H 3.905 0.020 2 460 144 45 SER CB C 60.633 0.400 1 461 144 45 SER N N 117.221 0.400 1 462 145 46 PRO HA H 4.574 0.020 1 463 145 46 PRO HB2 H 2.209 0.020 2 464 145 46 PRO HB3 H 1.743 0.020 2 465 145 46 PRO HG2 H 2.016 0.020 2 466 145 46 PRO HG3 H 2.016 0.020 2 467 145 46 PRO HD2 H 3.826 0.020 2 468 145 46 PRO HD3 H 3.733 0.020 2 469 145 46 PRO C C 173.042 0.400 1 470 145 46 PRO CA C 60.040 0.400 1 471 145 46 PRO CB C 29.313 0.400 1 472 145 46 PRO CG C 24.268 0.400 1 473 145 46 PRO CD C 47.710 0.400 1 474 146 47 VAL H H 8.330 0.020 1 475 146 47 VAL HA H 4.304 0.020 1 476 146 47 VAL HB H 1.874 0.020 1 477 146 47 VAL HG1 H 0.738 0.020 2 478 146 47 VAL HG2 H 0.855 0.020 2 479 146 47 VAL CA C 58.340 0.400 1 480 146 47 VAL CB C 30.060 0.400 1 481 146 47 VAL CG1 C 19.006 0.400 2 482 146 47 VAL CG2 C 17.373 0.400 2 483 146 47 VAL N N 120.628 0.400 1 484 147 48 VAL H H 9.040 0.020 1 485 147 48 VAL HA H 5.704 0.020 1 486 147 48 VAL HB H 2.256 0.020 1 487 147 48 VAL HG1 H 0.779 0.020 2 488 147 48 VAL HG2 H 0.684 0.020 2 489 147 48 VAL N N 116.972 0.400 1 490 148 49 THR H H 8.442 0.020 1 491 148 49 THR HA H 4.906 0.020 1 492 148 49 THR HB H 4.236 0.020 1 493 148 49 THR HG2 H 0.937 0.020 1 494 148 49 THR C C 171.816 0.400 1 495 148 49 THR CA C 58.020 0.400 1 496 148 49 THR CB C 67.765 0.400 1 497 148 49 THR CG2 C 18.598 0.400 1 498 148 49 THR N N 107.103 0.400 1 499 149 50 ARG H H 7.623 0.020 1 500 149 50 ARG HA H 5.631 0.020 1 501 149 50 ARG HB2 H 2.171 0.020 1 502 149 50 ARG HB3 H 1.569 0.020 1 503 149 50 ARG HG2 H 1.712 0.020 2 504 149 50 ARG HG3 H 2.247 0.020 2 505 149 50 ARG HD2 H 3.184 0.020 2 506 149 50 ARG HD3 H 3.184 0.020 2 507 149 50 ARG HE H 6.011 0.020 1 508 149 50 ARG C C 173.378 0.400 1 509 149 50 ARG CA C 51.979 0.400 1 510 149 50 ARG CB C 33.261 0.400 1 511 149 50 ARG CG C 27.616 0.400 1 512 149 50 ARG CD C 39.968 0.400 1 513 149 50 ARG N N 120.370 0.400 1 514 149 50 ARG NE N 89.377 0.400 1 515 150 51 SER H H 8.709 0.020 1 516 150 51 SER HA H 4.790 0.020 1 517 150 51 SER HB2 H 3.874 0.020 2 518 150 51 SER HB3 H 3.874 0.020 2 519 150 51 SER C C 171.473 0.400 1 520 150 51 SER CA C 54.647 0.400 1 521 150 51 SER CB C 63.412 0.400 1 522 150 51 SER N N 113.789 0.400 1 523 151 52 CYS H H 8.473 0.020 1 524 151 52 CYS HA H 5.141 0.020 1 525 151 52 CYS HB2 H 3.189 0.020 1 526 151 52 CYS HB3 H 3.127 0.020 1 527 151 52 CYS C C 173.280 0.400 1 528 151 52 CYS CA C 55.095 0.400 1 529 151 52 CYS CB C 42.021 0.400 1 530 151 52 CYS N N 120.824 0.400 1 531 152 53 SER H H 9.052 0.020 1 532 152 53 SER HA H 4.834 0.020 1 533 152 53 SER HB2 H 3.688 0.020 1 534 152 53 SER HB3 H 3.235 0.020 1 535 152 53 SER C C 171.203 0.400 1 536 152 53 SER CA C 54.771 0.400 1 537 152 53 SER CB C 62.761 0.400 1 538 152 53 SER N N 115.253 0.400 1 539 153 54 SER H H 8.783 0.020 1 540 153 54 SER HA H 4.930 0.020 1 541 153 54 SER HB2 H 4.160 0.020 1 542 153 54 SER HB3 H 4.010 0.020 1 543 153 54 SER C C 172.176 0.400 1 544 153 54 SER CA C 55.479 0.400 1 545 153 54 SER CB C 61.137 0.400 1 546 153 54 SER N N 120.787 0.400 1 547 154 55 SER H H 8.300 0.020 1 548 154 55 SER HA H 4.555 0.020 1 549 154 55 SER HB2 H 3.872 0.020 1 550 154 55 SER HB3 H 3.717 0.020 1 551 154 55 SER C C 169.952 0.400 1 552 154 55 SER CA C 54.084 0.400 1 553 154 55 SER CB C 60.141 0.400 1 554 154 55 SER N N 117.808 0.400 1 555 155 56 CYS H H 8.668 0.020 1 556 155 56 CYS HA H 4.372 0.020 1 557 155 56 CYS HB2 H 2.619 0.020 1 558 155 56 CYS HB3 H 3.007 0.020 1 559 155 56 CYS C C 171.146 0.400 1 560 155 56 CYS CA C 55.638 0.400 1 561 155 56 CYS CB C 37.300 0.400 1 562 155 56 CYS N N 125.978 0.400 1 563 156 57 VAL H H 8.239 0.020 1 564 156 57 VAL HA H 4.165 0.020 1 565 156 57 VAL HB H 1.984 0.020 1 566 156 57 VAL HG1 H 0.928 0.020 1 567 156 57 VAL HG2 H 0.890 0.020 1 568 156 57 VAL C C 171.603 0.400 1 569 156 57 VAL CA C 58.943 0.400 1 570 156 57 VAL CB C 30.381 0.400 1 571 156 57 VAL CG1 C 17.976 0.400 2 572 156 57 VAL CG2 C 17.460 0.400 2 573 156 57 VAL N N 129.527 0.400 1 574 157 58 ALA H H 8.414 0.020 1 575 157 58 ALA HA H 4.142 0.020 1 576 157 58 ALA HB H 1.438 0.020 1 577 157 58 ALA C C 175.610 0.400 1 578 157 58 ALA CA C 49.047 0.400 1 579 157 58 ALA CB C 16.567 0.400 1 580 157 58 ALA N N 130.280 0.400 1 581 158 59 THR H H 8.219 0.020 1 582 158 59 THR HA H 4.214 0.020 1 583 158 59 THR HB H 4.039 0.020 1 584 158 59 THR HG2 H 1.318 0.020 1 585 158 59 THR C C 171.710 0.400 1 586 158 59 THR CA C 59.207 0.400 1 587 158 59 THR CB C 66.814 0.400 1 588 158 59 THR CG2 C 19.192 0.400 1 589 158 59 THR N N 115.127 0.400 1 590 159 60 ASP H H 8.548 0.020 1 591 159 60 ASP HA H 4.858 0.020 1 592 159 60 ASP HB2 H 2.682 0.020 1 593 159 60 ASP HB3 H 2.782 0.020 1 594 159 60 ASP CA C 49.315 0.400 1 595 159 60 ASP CB C 38.260 0.400 1 596 159 60 ASP N N 125.274 0.400 1 597 160 61 PRO HA H 4.380 0.020 1 598 160 61 PRO HB2 H 2.025 0.020 2 599 160 61 PRO HB3 H 2.363 0.020 2 600 160 61 PRO HG2 H 2.071 0.020 2 601 160 61 PRO HG3 H 2.071 0.020 2 602 160 61 PRO HD2 H 3.956 0.020 2 603 160 61 PRO HD3 H 3.875 0.020 2 604 160 61 PRO C C 174.326 0.400 1 605 160 61 PRO CA C 61.319 0.400 1 606 160 61 PRO CB C 29.002 0.400 1 607 160 61 PRO CG C 24.222 0.400 1 608 160 61 PRO CD C 48.009 0.400 1 609 161 62 ASP H H 8.402 0.020 1 610 161 62 ASP HA H 4.709 0.020 1 611 161 62 ASP HB2 H 2.706 0.020 2 612 161 62 ASP HB3 H 2.780 0.020 2 613 161 62 ASP C C 173.598 0.400 1 614 161 62 ASP CA C 51.383 0.400 1 615 161 62 ASP CB C 37.609 0.400 1 616 161 62 ASP N N 116.981 0.400 1 617 162 63 SER H H 7.865 0.020 1 618 162 63 SER HA H 4.477 0.020 1 619 162 63 SER HB2 H 3.913 0.020 2 620 162 63 SER HB3 H 3.913 0.020 2 621 162 63 SER C C 171.881 0.400 1 622 162 63 SER CA C 55.371 0.400 1 623 162 63 SER CB C 60.763 0.400 1 624 162 63 SER N N 115.678 0.400 1 625 163 64 ILE H H 8.098 0.020 1 626 163 64 ILE HA H 4.190 0.020 1 627 163 64 ILE HB H 1.917 0.020 1 628 163 64 ILE HG12 H 1.533 0.020 2 629 163 64 ILE HG13 H 1.249 0.020 2 630 163 64 ILE HG2 H 0.946 0.020 1 631 163 64 ILE HD1 H 0.901 0.020 1 632 163 64 ILE C C 174.441 0.400 1 633 163 64 ILE CA C 58.539 0.400 1 634 163 64 ILE CB C 35.563 0.400 1 635 163 64 ILE CG1 C 24.379 0.400 1 636 163 64 ILE CG2 C 14.416 0.400 1 637 163 64 ILE CD1 C 9.943 0.400 1 638 163 64 ILE N N 122.425 0.400 1 639 164 65 GLY H H 8.564 0.020 1 640 164 65 GLY HA2 H 3.991 0.020 1 641 164 65 GLY HA3 H 3.881 0.020 1 642 164 65 GLY C C 171.530 0.400 1 643 164 65 GLY CA C 42.342 0.400 1 644 164 65 GLY N N 112.830 0.400 1 645 165 66 ALA H H 7.901 0.020 1 646 165 66 ALA HA H 4.318 0.020 1 647 165 66 ALA HB H 1.388 0.020 1 648 165 66 ALA C C 174.596 0.400 1 649 165 66 ALA CA C 49.188 0.400 1 650 165 66 ALA CB C 16.158 0.400 1 651 165 66 ALA N N 123.606 0.400 1 652 166 67 ALA H H 8.243 0.020 1 653 166 67 ALA HA H 4.232 0.020 1 654 166 67 ALA HB H 1.330 0.020 1 655 166 67 ALA C C 174.637 0.400 1 656 166 67 ALA CA C 49.778 0.400 1 657 166 67 ALA CB C 16.171 0.400 1 658 166 67 ALA N N 122.736 0.400 1 659 167 68 HIS H H 7.931 0.020 1 660 167 68 HIS HA H 4.987 0.020 1 661 167 68 HIS HB2 H 3.022 0.020 1 662 167 68 HIS HB3 H 3.181 0.020 1 663 167 68 HIS HD2 H 7.150 0.020 1 664 167 68 HIS HE1 H 8.459 0.020 1 665 167 68 HIS C C 170.835 0.400 1 666 167 68 HIS CA C 51.148 0.400 1 667 167 68 HIS CB C 27.221 0.400 1 668 167 68 HIS CD2 C 119.043 0.400 1 669 167 68 HIS CE1 C 136.075 0.400 1 670 167 68 HIS N N 114.237 0.400 1 671 168 69 LEU H H 8.371 0.020 1 672 168 69 LEU HA H 4.480 0.020 1 673 168 69 LEU HB2 H 1.708 0.020 1 674 168 69 LEU HB3 H 1.402 0.020 1 675 168 69 LEU HG H 1.597 0.020 1 676 168 69 LEU HD1 H 0.968 0.020 2 677 168 69 LEU HD2 H 0.875 0.020 2 678 168 69 LEU C C 172.045 0.400 1 679 168 69 LEU CA C 52.044 0.400 1 680 168 69 LEU CB C 40.719 0.400 1 681 168 69 LEU CG C 24.162 0.400 1 682 168 69 LEU CD1 C 22.243 0.400 2 683 168 69 LEU CD2 C 20.887 0.400 2 684 168 69 LEU N N 123.034 0.400 1 685 169 70 ILE H H 8.097 0.020 1 686 169 70 ILE HA H 4.907 0.020 1 687 169 70 ILE HB H 1.775 0.020 1 688 169 70 ILE HG12 H 1.491 0.020 2 689 169 70 ILE HG13 H 1.217 0.020 2 690 169 70 ILE HG2 H 0.872 0.020 1 691 169 70 ILE HD1 H 0.873 0.020 1 692 169 70 ILE C C 172.715 0.400 1 693 169 70 ILE CA C 56.856 0.400 1 694 169 70 ILE CB C 37.464 0.400 1 695 169 70 ILE CG1 C 24.743 0.400 1 696 169 70 ILE CG2 C 15.972 0.400 1 697 169 70 ILE CD1 C 10.306 0.400 1 698 169 70 ILE N N 121.493 0.400 1 699 170 71 PHE H H 9.246 0.020 1 700 170 71 PHE HA H 4.930 0.020 1 701 170 71 PHE HB2 H 2.823 0.020 1 702 170 71 PHE HB3 H 3.209 0.020 1 703 170 71 PHE HD1 H 7.173 0.020 1 704 170 71 PHE HD2 H 7.173 0.020 1 705 170 71 PHE HE1 H 7.240 0.020 1 706 170 71 PHE HE2 H 7.240 0.020 1 707 170 71 PHE HZ H 7.408 0.020 1 708 170 71 PHE C C 172.315 0.400 1 709 170 71 PHE CA C 52.803 0.400 1 710 170 71 PHE CB C 38.773 0.400 1 711 170 71 PHE N N 125.500 0.400 1 712 171 72 CYS H H 8.577 0.020 1 713 171 72 CYS HA H 5.361 0.020 1 714 171 72 CYS HB2 H 2.697 0.020 2 715 171 72 CYS HB3 H 2.697 0.020 2 716 171 72 CYS C C 170.124 0.400 1 717 171 72 CYS CA C 49.869 0.400 1 718 171 72 CYS CB C 42.371 0.400 1 719 171 72 CYS N N 118.630 0.400 1 720 172 73 CYS H H 8.679 0.020 1 721 172 73 CYS HA H 4.459 0.020 1 722 172 73 CYS HB2 H 3.458 0.020 1 723 172 73 CYS HB3 H 3.253 0.020 1 724 172 73 CYS C C 171.097 0.400 1 725 172 73 CYS CA C 51.892 0.400 1 726 172 73 CYS CB C 41.131 0.400 1 727 172 73 CYS N N 118.255 0.400 1 728 173 74 PHE H H 8.810 0.020 1 729 173 74 PHE HA H 5.148 0.020 1 730 173 74 PHE HB2 H 2.813 0.020 1 731 173 74 PHE HB3 H 3.753 0.020 1 732 173 74 PHE HD1 H 7.501 0.020 1 733 173 74 PHE HD2 H 7.501 0.020 1 734 173 74 PHE HE1 H 7.366 0.020 1 735 173 74 PHE HE2 H 7.366 0.020 1 736 173 74 PHE C C 172.413 0.400 1 737 173 74 PHE CA C 55.243 0.400 1 738 173 74 PHE CB C 37.440 0.400 1 739 173 74 PHE N N 119.428 0.400 1 740 174 75 ARG H H 7.450 0.020 1 741 174 75 ARG HA H 4.774 0.020 1 742 174 75 ARG HB2 H 1.708 0.020 1 743 174 75 ARG HB3 H 1.912 0.020 1 744 174 75 ARG HG2 H 1.691 0.020 2 745 174 75 ARG HG3 H 1.691 0.020 2 746 174 75 ARG HD2 H 3.296 0.020 2 747 174 75 ARG HD3 H 3.296 0.020 2 748 174 75 ARG HE H 7.290 0.020 1 749 174 75 ARG C C 171.497 0.400 1 750 174 75 ARG CA C 51.136 0.400 1 751 174 75 ARG CB C 31.229 0.400 1 752 174 75 ARG CG C 24.044 0.400 1 753 174 75 ARG CD C 40.191 0.400 1 754 174 75 ARG N N 119.247 0.400 1 755 174 75 ARG NE N 85.065 0.400 1 756 175 76 ASP H H 8.290 0.020 1 757 175 76 ASP HA H 4.846 0.020 1 758 175 76 ASP HB2 H 2.519 0.020 1 759 175 76 ASP HB3 H 2.279 0.020 1 760 175 76 ASP C C 174.784 0.400 1 761 175 76 ASP CA C 52.514 0.400 1 762 175 76 ASP CB C 38.535 0.400 1 763 175 76 ASP N N 119.844 0.400 1 764 176 77 LEU H H 9.298 0.020 1 765 176 77 LEU HA H 3.344 0.020 1 766 176 77 LEU HB2 H 1.844 0.020 1 767 176 77 LEU HB3 H 1.426 0.020 1 768 176 77 LEU HG H 1.112 0.020 1 769 176 77 LEU HD1 H 0.744 0.020 1 770 176 77 LEU HD2 H -0.117 0.020 1 771 176 77 LEU C C 173.737 0.400 1 772 176 77 LEU CA C 52.139 0.400 1 773 176 77 LEU CB C 33.886 0.400 1 774 176 77 LEU CG C 23.391 0.400 1 775 176 77 LEU CD1 C 22.066 0.400 2 776 176 77 LEU CD2 C 18.760 0.400 2 777 176 77 LEU N N 114.448 0.400 1 778 177 78 CYS H H 7.834 0.020 1 779 177 78 CYS HA H 4.547 0.020 1 780 177 78 CYS HB2 H 3.507 0.020 1 781 177 78 CYS HB3 H 3.269 0.020 1 782 177 78 CYS C C 172.298 0.400 1 783 177 78 CYS CA C 53.532 0.400 1 784 177 78 CYS CB C 41.582 0.400 1 785 177 78 CYS N N 112.101 0.400 1 786 178 79 ASN H H 9.014 0.020 1 787 178 79 ASN HA H 4.778 0.020 1 788 178 79 ASN HB2 H 2.884 0.020 1 789 178 79 ASN HB3 H 2.529 0.020 1 790 178 79 ASN CA C 49.564 0.400 1 791 178 79 ASN CB C 33.138 0.400 1 792 178 79 ASN N N 122.157 0.400 1 793 179 80 SER H H 7.482 0.020 1 794 179 80 SER HA H 3.945 0.020 1 795 179 80 SER HB2 H 3.753 0.020 2 796 179 80 SER HB3 H 3.753 0.020 2 797 179 80 SER C C 171.980 0.400 1 798 179 80 SER CA C 55.092 0.400 1 799 179 80 SER CB C 59.118 0.400 1 800 179 80 SER N N 109.444 0.400 1 801 180 81 GLU H H 7.936 0.020 1 802 180 81 GLU HA H 4.359 0.020 1 803 180 81 GLU HB2 H 1.783 0.020 1 804 180 81 GLU HB3 H 2.008 0.020 1 805 180 81 GLU HG2 H 2.156 0.020 2 806 180 81 GLU HG3 H 2.205 0.020 2 807 180 81 GLU CA C 52.226 0.400 1 808 180 81 GLU CB C 28.439 0.400 1 809 180 81 GLU CG C 32.399 0.400 1 810 180 81 GLU N N 120.035 0.400 1 811 181 82 LEU H H 7.911 0.020 1 812 181 82 LEU HA H 3.989 0.020 1 813 181 82 LEU HB2 H 1.336 0.020 2 814 181 82 LEU HB3 H 1.336 0.020 2 815 181 82 LEU HG H 1.375 0.020 1 816 181 82 LEU HD1 H 0.619 0.020 2 817 181 82 LEU HD2 H 0.693 0.020 2 818 181 82 LEU CA C 53.452 0.400 1 819 181 82 LEU CB C 40.101 0.400 1 820 181 82 LEU CG C 24.288 0.400 1 821 181 82 LEU CD1 C 21.090 0.400 2 822 181 82 LEU CD2 C 22.256 0.400 2 823 181 82 LEU N N 127.265 0.400 1 stop_ save_