data_25225 ####################### # 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 25225 _BMRB_flat_file_name bmr25225.str _Entry_type original _Submission_date 2014-09-15 _Accession_date 2014-09-15 _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 Alexander S. . 2 Shenkarev Zakhar O. . 3 Lyukmanova Ekaterina N. . 4 Arseniev Alexander S. . 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" 239 "15N chemical shifts" 81 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-12-07 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25226 'cis-(Tyr39-Pro40) form of the Human Secreted Ly-6/uPAR Related Protein-1 (SLURP-1)' stop_ _Original_release_date 2015-12-07 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural and Functional Properties of Human Secreted Ly-6/uPAR Related Protein-1 (SLURP-1) Imply a Non-Canonical Mode of Interaction with 7 nAChR ; _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 Lyukmanova Ekaterina N. . 2 Shenkarev Zakhar O. . 3 Shulepko Mikhail A. . 4 Paramonov Alexander S. . 5 Kudryavsev Denis S. . 6 Astapova Maria V. . 7 Tompsen Morten S. . 8 Kasheverov Igor E. . 9 Feofanov Alexey V. . 10 Arseniev Alexander S. . 11 Tsetlin Vikor I. . 12 Dolgikh Dmitrii A. . 13 Kirpichnikov Mikhail P. . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'trans-(Tyr39-Pro40) form of the Human Secreted Ly-6/uPAR Related Protein-1 (SLURP-1)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Slurp1 $Slurp1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Slurp1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Slurp1 _Molecular_mass 8992.387 _Mol_thiol_state . _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 . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value UNP P55000 . . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Slurp1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Slurp1 'recombinant technology' . Escherichia coli BL21(DE3) pET-22b(+) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Slurp1 0.3 mM '[U-100% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Slurp1 0.3 mM '[U-100% 13C; U-100% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Slurp1 0.3 mM '[U-100% 13C; U-100% 15N]' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.8 loop_ _Vendor _Address _Electronic_address 'Keller R.' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_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_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 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' 0.001 . M pH 4.7 . pH pressure 1 . atm temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Slurp1 _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 1 5 100 1 MET HG3 H 2.578 0.020 1 6 100 1 MET CA C 52.120 0.300 1 7 100 1 MET CB C 29.018 0.300 1 8 100 1 MET CG C 28.406 0.300 1 9 101 2 LEU H H 8.754 0.020 1 10 101 2 LEU HA H 4.634 0.020 1 11 101 2 LEU HB2 H 1.369 0.020 2 12 101 2 LEU HB3 H 1.318 0.020 2 13 101 2 LEU HG H 1.498 0.020 1 14 101 2 LEU HD1 H 0.633 0.020 1 15 101 2 LEU HD2 H 0.734 0.020 1 16 101 2 LEU CA C 51.876 0.300 1 17 101 2 LEU CB C 42.021 0.300 1 18 101 2 LEU CG C 23.738 0.300 1 19 101 2 LEU CD1 C 22.188 0.300 1 20 101 2 LEU CD2 C 19.885 0.300 1 21 101 2 LEU N N 127.862 0.300 1 22 102 3 LYS H H 7.879 0.020 1 23 102 3 LYS HA H 5.261 0.020 1 24 102 3 LYS HB2 H 1.384 0.020 2 25 102 3 LYS HB3 H 1.340 0.020 2 26 102 3 LYS HG2 H 1.356 0.020 2 27 102 3 LYS HG3 H 1.219 0.020 2 28 102 3 LYS HD2 H 1.476 0.020 2 29 102 3 LYS HD3 H 1.529 0.020 2 30 102 3 LYS HE2 H 2.804 0.020 1 31 102 3 LYS HE3 H 2.804 0.020 1 32 102 3 LYS CA C 51.592 0.300 1 33 102 3 LYS CB C 32.019 0.300 1 34 102 3 LYS CG C 21.370 0.300 1 35 102 3 LYS CD C 26.286 0.300 1 36 102 3 LYS CE C 38.304 0.300 1 37 102 3 LYS N N 121.006 0.300 1 38 103 4 CYS H H 8.427 0.020 1 39 103 4 CYS HA H 4.946 0.020 1 40 103 4 CYS HB2 H 2.331 0.020 1 41 103 4 CYS HB3 H 3.002 0.020 1 42 103 4 CYS CA C 48.998 0.300 1 43 103 4 CYS CB C 38.912 0.300 1 44 103 4 CYS N N 117.708 0.300 1 45 104 5 TYR H H 8.442 0.020 1 46 104 5 TYR HA H 5.136 0.020 1 47 104 5 TYR HB2 H 2.621 0.020 1 48 104 5 TYR HB3 H 2.906 0.020 1 49 104 5 TYR HD1 H 6.667 0.020 1 50 104 5 TYR HD2 H 6.667 0.020 1 51 104 5 TYR HE1 H 6.789 0.020 1 52 104 5 TYR HE2 H 6.789 0.020 1 53 104 5 TYR CA C 55.542 0.300 1 54 104 5 TYR CB C 34.783 0.300 1 55 104 5 TYR N N 121.098 0.300 1 56 105 6 THR H H 9.312 0.020 1 57 105 6 THR HA H 4.624 0.020 1 58 105 6 THR HB H 4.167 0.020 1 59 105 6 THR HG2 H 1.037 0.020 1 60 105 6 THR CA C 57.375 0.300 1 61 105 6 THR CB C 70.082 0.300 1 62 105 6 THR CG2 C 19.140 0.300 1 63 105 6 THR N N 110.634 0.300 1 64 106 7 CYS H H 8.260 0.020 1 65 106 7 CYS HA H 4.842 0.020 1 66 106 7 CYS HB2 H 3.650 0.020 1 67 106 7 CYS HB3 H 3.994 0.020 1 68 106 7 CYS CA C 54.234 0.300 1 69 106 7 CYS CB C 43.098 0.300 1 70 106 7 CYS N N 109.134 0.300 1 71 107 8 LYS H H 8.624 0.020 1 72 107 8 LYS HA H 4.368 0.020 1 73 107 8 LYS HB2 H 1.920 0.020 2 74 107 8 LYS HB3 H 1.875 0.020 2 75 107 8 LYS HG2 H 1.511 0.020 1 76 107 8 LYS HG3 H 1.511 0.020 1 77 107 8 LYS HD2 H 1.751 0.020 1 78 107 8 LYS HD3 H 1.751 0.020 1 79 107 8 LYS HE2 H 3.046 0.020 1 80 107 8 LYS HE3 H 3.046 0.020 1 81 107 8 LYS CA C 54.209 0.300 1 82 107 8 LYS CB C 30.567 0.300 1 83 107 8 LYS CG C 21.901 0.300 1 84 107 8 LYS CD C 25.976 0.300 1 85 107 8 LYS CE C 38.760 0.300 1 86 107 8 LYS N N 120.821 0.300 1 87 108 9 GLU H H 7.627 0.020 1 88 108 9 GLU HA H 4.728 0.020 1 89 108 9 GLU HB2 H 1.880 0.020 2 90 108 9 GLU HB3 H 2.065 0.020 2 91 108 9 GLU HG2 H 2.206 0.020 2 92 108 9 GLU HG3 H 2.228 0.020 2 93 108 9 GLU CA C 49.712 0.300 1 94 108 9 GLU CB C 27.002 0.300 1 95 108 9 GLU CG C 32.641 0.300 1 96 108 9 GLU N N 118.533 0.300 1 97 109 10 PRO HA H 4.557 0.020 1 98 109 10 PRO HB2 H 1.868 0.020 2 99 109 10 PRO HB3 H 1.757 0.020 2 100 109 10 PRO HG2 H 2.094 0.020 2 101 109 10 PRO HG3 H 1.798 0.020 2 102 109 10 PRO HD2 H 3.752 0.020 2 103 109 10 PRO HD3 H 3.613 0.020 2 104 109 10 PRO CA C 59.633 0.300 1 105 109 10 PRO CB C 28.572 0.300 1 106 109 10 PRO CG C 24.637 0.300 1 107 109 10 PRO CD C 47.020 0.300 1 108 110 11 MET H H 9.017 0.020 1 109 110 11 MET HA H 4.827 0.020 1 110 110 11 MET HB2 H 2.404 0.020 2 111 110 11 MET HB3 H 2.043 0.020 2 112 110 11 MET HG2 H 2.774 0.020 1 113 110 11 MET HG3 H 2.774 0.020 1 114 110 11 MET HE H 2.201 0.020 1 115 110 11 MET CA C 51.502 0.300 1 116 110 11 MET CB C 34.636 0.300 1 117 110 11 MET CG C 29.005 0.300 1 118 110 11 MET CE C 14.205 0.300 1 119 110 11 MET N N 122.942 0.300 1 120 111 12 THR H H 8.282 0.020 1 121 111 12 THR HA H 4.534 0.020 1 122 111 12 THR HB H 4.553 0.020 1 123 111 12 THR HG2 H 1.327 0.020 1 124 111 12 THR CA C 59.025 0.300 1 125 111 12 THR CG2 C 19.090 0.300 1 126 111 12 THR N N 110.441 0.300 1 127 112 13 SER H H 8.739 0.020 1 128 112 13 SER HA H 3.890 0.020 1 129 112 13 SER HB2 H 3.814 0.020 2 130 112 13 SER HB3 H 3.960 0.020 2 131 112 13 SER CA C 57.930 0.300 1 132 112 13 SER CB C 59.493 0.300 1 133 112 13 SER N N 115.495 0.300 1 134 113 14 ALA H H 8.374 0.020 1 135 113 14 ALA HA H 4.015 0.020 1 136 113 14 ALA HB H 1.379 0.020 1 137 113 14 ALA N N 119.080 0.300 1 138 114 15 SER H H 7.561 0.020 1 139 114 15 SER HA H 4.515 0.020 1 140 114 15 SER HB2 H 3.881 0.020 2 141 114 15 SER HB3 H 3.968 0.020 2 142 114 15 SER CA C 55.891 0.300 1 143 114 15 SER CB C 61.376 0.300 1 144 114 15 SER N N 110.843 0.300 1 145 115 16 CYS H H 7.576 0.020 1 146 115 16 CYS HA H 5.081 0.020 1 147 115 16 CYS HB2 H 2.720 0.020 1 148 115 16 CYS HB3 H 3.129 0.020 1 149 115 16 CYS CA C 53.227 0.300 1 150 115 16 CYS CB C 41.064 0.300 1 151 115 16 CYS N N 124.537 0.300 1 152 116 17 ARG H H 7.869 0.020 1 153 116 17 ARG HA H 4.495 0.020 1 154 116 17 ARG HB2 H 1.361 0.020 1 155 116 17 ARG HB3 H 1.992 0.020 1 156 116 17 ARG HG2 H 0.896 0.020 2 157 116 17 ARG HG3 H 1.291 0.020 2 158 116 17 ARG HD2 H 2.636 0.020 1 159 116 17 ARG HD3 H 2.636 0.020 1 160 116 17 ARG HE H 6.519 0.020 1 161 116 17 ARG CA C 51.903 0.300 1 162 116 17 ARG CB C 28.608 0.300 1 163 116 17 ARG CG C 24.147 0.300 1 164 116 17 ARG CD C 39.913 0.300 1 165 116 17 ARG N N 121.872 0.300 1 166 116 17 ARG NE N 84.476 0.300 1 167 117 18 THR H H 8.309 0.020 1 168 117 18 THR HA H 4.311 0.020 1 169 117 18 THR HB H 4.426 0.020 1 170 117 18 THR HG2 H 1.167 0.020 1 171 117 18 THR CA C 61.472 0.300 1 172 117 18 THR CB C 65.543 0.300 1 173 117 18 THR CG2 C 18.523 0.300 1 174 117 18 THR N N 119.541 0.300 1 175 118 19 ILE H H 8.949 0.020 1 176 118 19 ILE HA H 3.924 0.020 1 177 118 19 ILE HB H 1.750 0.020 1 178 118 19 ILE HG12 H 1.893 0.020 2 179 118 19 ILE HG13 H 0.697 0.020 2 180 118 19 ILE HG2 H 0.676 0.020 1 181 118 19 ILE HD1 H 0.968 0.020 1 182 118 19 ILE CA C 60.351 0.300 1 183 118 19 ILE CB C 34.735 0.300 1 184 118 19 ILE CG1 C 25.773 0.300 1 185 118 19 ILE CG2 C 14.100 0.300 1 186 118 19 ILE CD1 C 10.330 0.300 1 187 118 19 ILE N N 129.953 0.300 1 188 119 20 THR H H 8.711 0.020 1 189 119 20 THR HA H 4.475 0.020 1 190 119 20 THR HB H 3.803 0.020 1 191 119 20 THR HG2 H 1.107 0.020 1 192 119 20 THR CA C 58.200 0.300 1 193 119 20 THR CB C 67.794 0.300 1 194 119 20 THR CG2 C 18.421 0.300 1 195 119 20 THR N N 126.753 0.300 1 196 120 21 ARG H H 8.549 0.020 1 197 120 21 ARG HA H 4.293 0.020 1 198 120 21 ARG HB2 H 1.769 0.020 1 199 120 21 ARG HB3 H 1.886 0.020 1 200 120 21 ARG HG2 H 1.693 0.020 1 201 120 21 ARG HG3 H 1.693 0.020 1 202 120 21 ARG HD2 H 3.243 0.020 1 203 120 21 ARG HD3 H 3.243 0.020 1 204 120 21 ARG HE H 7.250 0.020 1 205 120 21 ARG CA C 53.380 0.300 1 206 120 21 ARG CB C 26.640 0.300 1 207 120 21 ARG CG C 24.403 0.300 1 208 120 21 ARG CD C 40.395 0.300 1 209 120 21 ARG N N 126.298 0.300 1 210 120 21 ARG NE N 84.894 0.300 1 211 121 22 CYS H H 8.747 0.020 1 212 121 22 CYS HA H 4.774 0.020 1 213 121 22 CYS HB2 H 2.884 0.020 1 214 121 22 CYS HB3 H 4.390 0.020 1 215 121 22 CYS CA C 48.887 0.300 1 216 121 22 CYS CB C 33.669 0.300 1 217 121 22 CYS N N 125.959 0.300 1 218 122 23 LYS H H 8.576 0.020 1 219 122 23 LYS HA H 4.489 0.020 1 220 122 23 LYS HB2 H 1.640 0.020 1 221 122 23 LYS HB3 H 2.070 0.020 1 222 122 23 LYS HG2 H 1.568 0.020 2 223 122 23 LYS HG3 H 1.689 0.020 2 224 122 23 LYS HD2 H 1.794 0.020 1 225 122 23 LYS HD3 H 1.794 0.020 1 226 122 23 LYS HE2 H 3.081 0.020 1 227 122 23 LYS HE3 H 3.081 0.020 1 228 122 23 LYS CA C 52.781 0.300 1 229 122 23 LYS CB C 27.458 0.300 1 230 122 23 LYS CG C 22.132 0.300 1 231 122 23 LYS CD C 25.728 0.300 1 232 122 23 LYS CE C 38.645 0.300 1 233 122 23 LYS N N 119.892 0.300 1 234 123 24 PRO HA H 4.249 0.020 1 235 123 24 PRO HB2 H 2.430 0.020 2 236 123 24 PRO HB3 H 1.965 0.020 2 237 123 24 PRO HG2 H 2.259 0.020 2 238 123 24 PRO HG3 H 2.066 0.020 2 239 123 24 PRO HD2 H 3.892 0.020 2 240 123 24 PRO HD3 H 3.849 0.020 2 241 123 24 PRO CA C 63.009 0.300 1 242 123 24 PRO CB C 28.688 0.300 1 243 123 24 PRO CG C 24.837 0.300 1 244 123 24 PRO CD C 47.139 0.300 1 245 124 25 GLU H H 8.892 0.020 1 246 124 25 GLU HA H 4.222 0.020 1 247 124 25 GLU HB2 H 2.084 0.020 1 248 124 25 GLU HB3 H 2.084 0.020 1 249 124 25 GLU HG2 H 2.278 0.020 1 250 124 25 GLU HG3 H 2.278 0.020 1 251 124 25 GLU CA C 54.020 0.300 1 252 124 25 GLU CB C 25.773 0.300 1 253 124 25 GLU CG C 32.891 0.300 1 254 124 25 GLU N N 112.877 0.300 1 255 125 26 ASP H H 7.675 0.020 1 256 125 26 ASP HA H 4.514 0.020 1 257 125 26 ASP HB2 H 2.932 0.020 1 258 125 26 ASP HB3 H 2.412 0.020 1 259 125 26 ASP CA C 53.162 0.300 1 260 125 26 ASP CB C 37.075 0.300 1 261 125 26 ASP N N 120.983 0.300 1 262 126 27 THR H H 8.139 0.020 1 263 126 27 THR HA H 4.445 0.020 1 264 126 27 THR HB H 4.553 0.020 1 265 126 27 THR HG2 H 1.290 0.020 1 266 126 27 THR CA C 57.795 0.300 1 267 126 27 THR CB C 68.080 0.300 1 268 126 27 THR CG2 C 18.894 0.300 1 269 126 27 THR N N 110.714 0.300 1 270 127 28 ALA H H 8.408 0.020 1 271 127 28 ALA HA H 4.969 0.020 1 272 127 28 ALA HB H 1.249 0.020 1 273 127 28 ALA CA C 47.826 0.300 1 274 127 28 ALA CB C 21.011 0.300 1 275 127 28 ALA N N 123.060 0.300 1 276 128 29 CYS H H 8.764 0.020 1 277 128 29 CYS HA H 5.405 0.020 1 278 128 29 CYS HB2 H 2.845 0.020 1 279 128 29 CYS HB3 H 3.129 0.020 1 280 128 29 CYS CA C 49.138 0.300 1 281 128 29 CYS CB C 33.728 0.300 1 282 128 29 CYS N N 115.816 0.300 1 283 129 30 MET H H 9.366 0.020 1 284 129 30 MET HA H 5.485 0.020 1 285 129 30 MET HB2 H 1.725 0.020 1 286 129 30 MET HB3 H 2.212 0.020 1 287 129 30 MET HG2 H 2.637 0.020 2 288 129 30 MET HG3 H 2.373 0.020 2 289 129 30 MET HE H 2.046 0.020 1 290 129 30 MET CA C 51.630 0.300 1 291 129 30 MET CB C 35.308 0.300 1 292 129 30 MET CG C 28.604 0.300 1 293 129 30 MET CE C 14.162 0.300 1 294 129 30 MET N N 126.078 0.300 1 295 130 31 THR H H 8.903 0.020 1 296 130 31 THR HA H 5.177 0.020 1 297 130 31 THR HB H 4.117 0.020 1 298 130 31 THR HG2 H 1.245 0.020 1 299 130 31 THR CA C 59.260 0.300 1 300 130 31 THR CB C 68.549 0.300 1 301 130 31 THR CG2 C 18.292 0.300 1 302 130 31 THR N N 123.706 0.300 1 303 131 32 THR H H 9.284 0.020 1 304 131 32 THR HA H 5.110 0.020 1 305 131 32 THR HB H 4.122 0.020 1 306 131 32 THR HG2 H 0.980 0.020 1 307 131 32 THR CA C 58.370 0.300 1 308 131 32 THR CB C 66.519 0.300 1 309 131 32 THR CG2 C 17.746 0.300 1 310 131 32 THR N N 123.644 0.300 1 311 132 33 LEU H H 9.132 0.020 1 312 132 33 LEU HA H 4.749 0.020 1 313 132 33 LEU HB2 H 1.566 0.020 2 314 132 33 LEU HB3 H 2.086 0.020 2 315 132 33 LEU HG H 1.655 0.020 1 316 132 33 LEU HD1 H 1.002 0.020 1 317 132 33 LEU HD2 H 1.002 0.020 1 318 132 33 LEU CA C 51.916 0.300 1 319 132 33 LEU CB C 40.734 0.300 1 320 132 33 LEU CG C 24.966 0.300 1 321 132 33 LEU CD1 C 21.968 0.300 1 322 132 33 LEU CD2 C 22.764 0.300 1 323 132 33 LEU N N 128.424 0.300 1 324 133 34 VAL H H 8.781 0.020 1 325 133 34 VAL HA H 4.073 0.020 1 326 133 34 VAL HB H 1.917 0.020 1 327 133 34 VAL HG1 H 0.878 0.020 1 328 133 34 VAL HG2 H 0.878 0.020 1 329 133 34 VAL CA C 60.262 0.300 1 330 133 34 VAL CB C 29.588 0.300 1 331 133 34 VAL CG1 C 18.048 0.300 1 332 133 34 VAL N N 126.950 0.300 1 333 134 35 THR H H 7.870 0.020 1 334 134 35 THR HA H 4.473 0.020 1 335 134 35 THR HB H 4.187 0.020 1 336 134 35 THR HG2 H 1.156 0.020 1 337 134 35 THR CA C 58.340 0.300 1 338 134 35 THR CB C 66.590 0.300 1 339 134 35 THR CG2 C 18.280 0.300 1 340 134 35 THR N N 115.286 0.300 1 341 135 36 VAL H H 8.142 0.020 1 342 135 36 VAL HA H 4.291 0.020 1 343 135 36 VAL HB H 2.101 0.020 1 344 135 36 VAL HG1 H 0.925 0.020 1 345 135 36 VAL HG2 H 0.925 0.020 1 346 135 36 VAL CA C 58.549 0.300 1 347 135 36 VAL CB C 30.204 0.300 1 348 135 36 VAL CG1 C 18.242 0.300 1 349 135 36 VAL CG2 C 17.153 0.300 1 350 135 36 VAL N N 121.196 0.300 1 351 136 37 GLU H H 8.424 0.020 1 352 136 37 GLU HA H 4.322 0.020 1 353 136 37 GLU HB2 H 2.301 0.020 1 354 136 37 GLU HB3 H 2.301 0.020 1 355 136 37 GLU HG2 H 1.947 0.020 2 356 136 37 GLU HG3 H 2.107 0.020 2 357 136 37 GLU CA C 53.456 0.300 1 358 136 37 GLU CB C 32.388 0.300 1 359 136 37 GLU CG C 26.904 0.300 1 360 136 37 GLU N N 123.911 0.300 1 361 137 38 ALA H H 8.292 0.020 1 362 137 38 ALA HA H 4.288 0.020 1 363 137 38 ALA HB H 1.382 0.020 1 364 137 38 ALA CA C 49.707 0.300 1 365 137 38 ALA CB C 16.293 0.300 1 366 137 38 ALA N N 124.105 0.300 1 367 138 39 GLU H H 8.137 0.020 1 368 138 39 GLU HA H 4.262 0.020 1 369 138 39 GLU HB2 H 1.914 0.020 1 370 138 39 GLU HB3 H 1.914 0.020 1 371 138 39 GLU HG2 H 2.118 0.020 2 372 138 39 GLU HG3 H 2.197 0.020 2 373 138 39 GLU CA C 53.603 0.300 1 374 138 39 GLU CB C 26.856 0.300 1 375 138 39 GLU CG C 32.490 0.300 1 376 138 39 GLU N N 117.459 0.300 1 377 139 40 TYR H H 7.916 0.020 1 378 139 40 TYR HA H 4.796 0.020 1 379 139 40 TYR HB2 H 2.845 0.020 2 380 139 40 TYR HB3 H 2.960 0.020 2 381 139 40 TYR HD1 H 7.119 0.020 1 382 139 40 TYR HD2 H 7.119 0.020 1 383 139 40 TYR CA C 52.684 0.300 1 384 139 40 TYR CB C 35.389 0.300 1 385 139 40 TYR N N 119.908 0.300 1 386 140 41 PRO HA H 4.340 0.020 1 387 140 41 PRO HB2 H 1.669 0.020 2 388 140 41 PRO HB3 H 2.134 0.020 2 389 140 41 PRO HG2 H 1.916 0.020 2 390 140 41 PRO HG3 H 1.781 0.020 2 391 140 41 PRO HD2 H 3.406 0.020 2 392 140 41 PRO HD3 H 3.686 0.020 2 393 140 41 PRO CA C 60.669 0.300 1 394 140 41 PRO CB C 28.512 0.300 1 395 140 41 PRO CG C 24.178 0.300 1 396 140 41 PRO CD C 47.504 0.300 1 397 141 42 PHE H H 7.755 0.020 1 398 141 42 PHE HA H 4.603 0.020 1 399 141 42 PHE HB2 H 3.091 0.020 2 400 141 42 PHE HB3 H 3.249 0.020 2 401 141 42 PHE CA C 54.567 0.300 1 402 141 42 PHE CB C 35.676 0.300 1 403 141 42 PHE N N 117.257 0.300 1 404 142 43 ASN H H 8.101 0.020 1 405 142 43 ASN HA H 4.655 0.020 1 406 142 43 ASN HB2 H 2.759 0.020 2 407 142 43 ASN HB3 H 2.873 0.020 2 408 142 43 ASN CA C 50.310 0.300 1 409 142 43 ASN CB C 35.355 0.300 1 410 142 43 ASN N N 118.560 0.300 1 411 143 44 GLN H H 8.222 0.020 1 412 143 44 GLN HA H 4.379 0.020 1 413 143 44 GLN HB2 H 2.009 0.020 2 414 143 44 GLN HB3 H 2.176 0.020 2 415 143 44 GLN HG2 H 2.353 0.020 1 416 143 44 GLN HG3 H 2.353 0.020 1 417 143 44 GLN HE21 H 7.454 0.020 2 418 143 44 GLN HE22 H 6.803 0.020 2 419 143 44 GLN CA C 52.922 0.300 1 420 143 44 GLN CB C 26.499 0.300 1 421 143 44 GLN CG C 30.855 0.300 1 422 143 44 GLN N N 119.234 0.300 1 423 143 44 GLN NE2 N 111.891 0.300 1 424 144 45 SER H H 8.248 0.020 1 425 144 45 SER HA H 4.830 0.020 1 426 144 45 SER HB2 H 3.813 0.020 2 427 144 45 SER HB3 H 3.905 0.020 2 428 144 45 SER CA C 53.218 0.300 1 429 144 45 SER CB C 60.633 0.300 1 430 144 45 SER N N 117.221 0.300 1 431 145 46 PRO HA H 4.574 0.020 1 432 145 46 PRO HB2 H 2.209 0.020 2 433 145 46 PRO HB3 H 1.743 0.020 2 434 145 46 PRO HG2 H 2.016 0.020 1 435 145 46 PRO HG3 H 2.016 0.020 1 436 145 46 PRO HD2 H 3.826 0.020 2 437 145 46 PRO HD3 H 3.733 0.020 2 438 145 46 PRO CA C 60.040 0.300 1 439 145 46 PRO CB C 29.313 0.300 1 440 145 46 PRO CG C 24.268 0.300 1 441 145 46 PRO CD C 47.710 0.300 1 442 146 47 VAL H H 8.330 0.020 1 443 146 47 VAL HA H 4.304 0.020 1 444 146 47 VAL HB H 1.874 0.020 1 445 146 47 VAL HG1 H 0.738 0.020 2 446 146 47 VAL HG2 H 0.855 0.020 2 447 146 47 VAL CA C 58.340 0.300 1 448 146 47 VAL CB C 30.060 0.300 1 449 146 47 VAL CG1 C 19.006 0.300 1 450 146 47 VAL CG2 C 17.373 0.300 1 451 146 47 VAL N N 120.628 0.300 1 452 147 48 VAL H H 9.040 0.020 1 453 147 48 VAL HA H 5.704 0.020 1 454 147 48 VAL HB H 2.256 0.020 1 455 147 48 VAL HG1 H 0.779 0.020 2 456 147 48 VAL HG2 H 0.684 0.020 2 457 147 48 VAL N N 116.972 0.300 1 458 148 49 THR H H 8.442 0.020 1 459 148 49 THR HA H 4.906 0.020 1 460 148 49 THR HB H 4.236 0.020 1 461 148 49 THR HG2 H 0.937 0.020 1 462 148 49 THR CA C 58.020 0.300 1 463 148 49 THR CB C 67.765 0.300 1 464 148 49 THR CG2 C 18.598 0.300 1 465 148 49 THR N N 107.103 0.300 1 466 149 50 ARG H H 7.623 0.020 1 467 149 50 ARG HA H 5.631 0.020 1 468 149 50 ARG HB2 H 2.171 0.020 1 469 149 50 ARG HB3 H 1.569 0.020 1 470 149 50 ARG HG2 H 1.712 0.020 2 471 149 50 ARG HG3 H 2.247 0.020 2 472 149 50 ARG HD2 H 3.184 0.020 1 473 149 50 ARG HD3 H 3.184 0.020 1 474 149 50 ARG HE H 6.011 0.020 1 475 149 50 ARG CA C 51.979 0.300 1 476 149 50 ARG CB C 33.261 0.300 1 477 149 50 ARG CG C 27.616 0.300 1 478 149 50 ARG CD C 39.968 0.300 1 479 149 50 ARG N N 120.370 0.300 1 480 149 50 ARG NE N 89.377 0.300 1 481 150 51 SER H H 8.709 0.020 1 482 150 51 SER HA H 4.790 0.020 1 483 150 51 SER HB2 H 3.874 0.020 1 484 150 51 SER HB3 H 3.874 0.020 1 485 150 51 SER CA C 54.647 0.300 1 486 150 51 SER CB C 63.412 0.300 1 487 150 51 SER N N 113.789 0.300 1 488 151 52 CYS H H 8.473 0.020 1 489 151 52 CYS HA H 5.141 0.020 1 490 151 52 CYS HB2 H 3.189 0.020 1 491 151 52 CYS HB3 H 3.127 0.020 1 492 151 52 CYS CA C 55.095 0.300 1 493 151 52 CYS CB C 42.021 0.300 1 494 151 52 CYS N N 120.824 0.300 1 495 152 53 SER H H 9.052 0.020 1 496 152 53 SER HA H 4.834 0.020 1 497 152 53 SER HB2 H 3.688 0.020 1 498 152 53 SER HB3 H 3.235 0.020 1 499 152 53 SER CA C 54.771 0.300 1 500 152 53 SER CB C 62.761 0.300 1 501 152 53 SER N N 115.253 0.300 1 502 153 54 SER H H 8.783 0.020 1 503 153 54 SER HA H 4.930 0.020 1 504 153 54 SER HB2 H 4.160 0.020 1 505 153 54 SER HB3 H 4.010 0.020 1 506 153 54 SER CA C 55.479 0.300 1 507 153 54 SER CB C 61.137 0.300 1 508 153 54 SER N N 120.787 0.300 1 509 154 55 SER H H 8.300 0.020 1 510 154 55 SER HA H 4.555 0.020 1 511 154 55 SER HB2 H 3.872 0.020 1 512 154 55 SER HB3 H 3.717 0.020 1 513 154 55 SER CA C 54.084 0.300 1 514 154 55 SER CB C 60.141 0.300 1 515 154 55 SER N N 117.808 0.300 1 516 155 56 CYS H H 8.668 0.020 1 517 155 56 CYS HA H 4.372 0.020 1 518 155 56 CYS HB2 H 2.619 0.020 1 519 155 56 CYS HB3 H 3.007 0.020 1 520 155 56 CYS CA C 55.638 0.300 1 521 155 56 CYS CB C 37.300 0.300 1 522 155 56 CYS N N 125.978 0.300 1 523 156 57 VAL H H 8.239 0.020 1 524 156 57 VAL HA H 4.165 0.020 1 525 156 57 VAL HB H 1.984 0.020 1 526 156 57 VAL HG1 H 0.928 0.020 1 527 156 57 VAL HG2 H 0.890 0.020 1 528 156 57 VAL CA C 58.943 0.300 1 529 156 57 VAL CB C 30.381 0.300 1 530 156 57 VAL CG1 C 17.976 0.300 1 531 156 57 VAL CG2 C 17.460 0.300 1 532 156 57 VAL N N 129.527 0.300 1 533 157 58 ALA H H 8.414 0.020 1 534 157 58 ALA HA H 4.142 0.020 1 535 157 58 ALA HB H 1.438 0.020 1 536 157 58 ALA CA C 49.047 0.300 1 537 157 58 ALA CB C 16.567 0.300 1 538 157 58 ALA N N 130.280 0.300 1 539 158 59 THR H H 8.219 0.020 1 540 158 59 THR HA H 4.214 0.020 1 541 158 59 THR HB H 4.039 0.020 1 542 158 59 THR HG2 H 1.318 0.020 1 543 158 59 THR CA C 59.207 0.300 1 544 158 59 THR CB C 66.814 0.300 1 545 158 59 THR CG2 C 19.192 0.300 1 546 158 59 THR N N 115.127 0.300 1 547 159 60 ASP H H 8.548 0.020 1 548 159 60 ASP HA H 4.858 0.020 1 549 159 60 ASP HB2 H 2.682 0.020 1 550 159 60 ASP HB3 H 2.782 0.020 1 551 159 60 ASP CA C 49.315 0.300 1 552 159 60 ASP CB C 38.260 0.300 1 553 159 60 ASP N N 125.274 0.300 1 554 160 61 PRO HA H 4.380 0.020 1 555 160 61 PRO HB2 H 2.025 0.020 2 556 160 61 PRO HB3 H 2.363 0.020 2 557 160 61 PRO HG2 H 2.071 0.020 1 558 160 61 PRO HG3 H 2.071 0.020 1 559 160 61 PRO HD2 H 3.956 0.020 2 560 160 61 PRO HD3 H 3.875 0.020 2 561 160 61 PRO CA C 61.319 0.300 1 562 160 61 PRO CB C 29.002 0.300 1 563 160 61 PRO CG C 24.222 0.300 1 564 160 61 PRO CD C 48.009 0.300 1 565 161 62 ASP H H 8.402 0.020 1 566 161 62 ASP HA H 4.709 0.020 1 567 161 62 ASP HB2 H 2.706 0.020 2 568 161 62 ASP HB3 H 2.780 0.020 2 569 161 62 ASP CA C 51.383 0.300 1 570 161 62 ASP CB C 37.609 0.300 1 571 161 62 ASP N N 116.981 0.300 1 572 162 63 SER H H 7.865 0.020 1 573 162 63 SER HA H 4.477 0.020 1 574 162 63 SER HB2 H 3.913 0.020 1 575 162 63 SER HB3 H 3.913 0.020 1 576 162 63 SER CA C 55.371 0.300 1 577 162 63 SER CB C 60.763 0.300 1 578 162 63 SER N N 115.678 0.300 1 579 163 64 ILE H H 8.098 0.020 1 580 163 64 ILE HA H 4.190 0.020 1 581 163 64 ILE HB H 1.917 0.020 1 582 163 64 ILE HG12 H 1.533 0.020 2 583 163 64 ILE HG13 H 1.249 0.020 2 584 163 64 ILE HG2 H 0.946 0.020 1 585 163 64 ILE HD1 H 0.901 0.020 1 586 163 64 ILE CA C 58.539 0.300 1 587 163 64 ILE CB C 35.563 0.300 1 588 163 64 ILE CG1 C 24.379 0.300 1 589 163 64 ILE CG2 C 14.416 0.300 1 590 163 64 ILE CD1 C 9.943 0.300 1 591 163 64 ILE N N 122.425 0.300 1 592 164 65 GLY H H 8.564 0.020 1 593 164 65 GLY HA2 H 3.991 0.020 1 594 164 65 GLY HA3 H 3.881 0.020 1 595 164 65 GLY CA C 42.342 0.300 1 596 164 65 GLY N N 112.830 0.300 1 597 165 66 ALA H H 7.901 0.020 1 598 165 66 ALA HA H 4.318 0.020 1 599 165 66 ALA HB H 1.388 0.020 1 600 165 66 ALA CA C 49.188 0.300 1 601 165 66 ALA CB C 16.158 0.300 1 602 165 66 ALA N N 123.606 0.300 1 603 166 67 ALA H H 8.243 0.020 1 604 166 67 ALA HA H 4.232 0.020 1 605 166 67 ALA HB H 1.330 0.020 1 606 166 67 ALA CA C 49.778 0.300 1 607 166 67 ALA CB C 16.171 0.300 1 608 166 67 ALA N N 122.736 0.300 1 609 167 68 HIS H H 7.931 0.020 1 610 167 68 HIS HA H 4.987 0.020 1 611 167 68 HIS HB2 H 3.022 0.020 1 612 167 68 HIS HB3 H 3.181 0.020 1 613 167 68 HIS HD2 H 7.150 0.020 1 614 167 68 HIS HE1 H 8.459 0.020 1 615 167 68 HIS CA C 51.148 0.300 1 616 167 68 HIS CB C 27.221 0.300 1 617 167 68 HIS CD2 C 119.043 0.300 1 618 167 68 HIS CE1 C 136.075 0.300 1 619 167 68 HIS N N 114.237 0.300 1 620 168 69 LEU H H 8.371 0.020 1 621 168 69 LEU HA H 4.480 0.020 1 622 168 69 LEU HB2 H 1.708 0.020 1 623 168 69 LEU HB3 H 1.402 0.020 1 624 168 69 LEU HG H 1.597 0.020 1 625 168 69 LEU HD1 H 0.968 0.020 2 626 168 69 LEU HD2 H 0.875 0.020 2 627 168 69 LEU CA C 52.044 0.300 1 628 168 69 LEU CB C 40.719 0.300 1 629 168 69 LEU CG C 24.162 0.300 1 630 168 69 LEU CD1 C 22.243 0.300 1 631 168 69 LEU CD2 C 20.887 0.300 1 632 168 69 LEU N N 123.034 0.300 1 633 169 70 ILE H H 8.097 0.020 1 634 169 70 ILE HA H 4.907 0.020 1 635 169 70 ILE HB H 1.775 0.020 1 636 169 70 ILE HG12 H 1.491 0.020 2 637 169 70 ILE HG13 H 1.217 0.020 2 638 169 70 ILE HG2 H 0.872 0.020 1 639 169 70 ILE HD1 H 0.873 0.020 1 640 169 70 ILE CA C 56.856 0.300 1 641 169 70 ILE CB C 37.464 0.300 1 642 169 70 ILE CG1 C 24.743 0.300 1 643 169 70 ILE CG2 C 15.972 0.300 1 644 169 70 ILE CD1 C 10.306 0.300 1 645 169 70 ILE N N 121.493 0.300 1 646 170 71 PHE H H 9.246 0.020 1 647 170 71 PHE HA H 4.930 0.020 1 648 170 71 PHE HB2 H 2.823 0.020 1 649 170 71 PHE HB3 H 3.209 0.020 1 650 170 71 PHE HD1 H 7.173 0.020 1 651 170 71 PHE HD2 H 7.173 0.020 1 652 170 71 PHE HE1 H 7.240 0.020 1 653 170 71 PHE HE2 H 7.240 0.020 1 654 170 71 PHE HZ H 7.408 0.020 1 655 170 71 PHE CA C 52.803 0.300 1 656 170 71 PHE CB C 38.773 0.300 1 657 170 71 PHE N N 125.500 0.300 1 658 171 72 CYS H H 8.577 0.020 1 659 171 72 CYS HA H 5.361 0.020 1 660 171 72 CYS HB2 H 2.697 0.020 1 661 171 72 CYS HB3 H 2.697 0.020 1 662 171 72 CYS CA C 49.869 0.300 1 663 171 72 CYS CB C 42.371 0.300 1 664 171 72 CYS N N 118.630 0.300 1 665 172 73 CYS H H 8.679 0.020 1 666 172 73 CYS HA H 4.459 0.020 1 667 172 73 CYS HB2 H 3.458 0.020 1 668 172 73 CYS HB3 H 3.253 0.020 1 669 172 73 CYS CA C 51.892 0.300 1 670 172 73 CYS CB C 41.131 0.300 1 671 172 73 CYS N N 118.255 0.300 1 672 173 74 PHE H H 8.810 0.020 1 673 173 74 PHE HA H 5.148 0.020 1 674 173 74 PHE HB2 H 2.813 0.020 1 675 173 74 PHE HB3 H 3.753 0.020 1 676 173 74 PHE HD1 H 7.501 0.020 1 677 173 74 PHE HD2 H 7.501 0.020 1 678 173 74 PHE HE1 H 7.366 0.020 1 679 173 74 PHE HE2 H 7.366 0.020 1 680 173 74 PHE CA C 55.243 0.300 1 681 173 74 PHE CB C 37.440 0.300 1 682 173 74 PHE N N 119.428 0.300 1 683 174 75 ARG H H 7.450 0.020 1 684 174 75 ARG HA H 4.774 0.020 1 685 174 75 ARG HB2 H 1.708 0.020 1 686 174 75 ARG HB3 H 1.912 0.020 1 687 174 75 ARG HG2 H 1.691 0.020 1 688 174 75 ARG HG3 H 1.691 0.020 1 689 174 75 ARG HD2 H 3.296 0.020 1 690 174 75 ARG HD3 H 3.296 0.020 1 691 174 75 ARG HE H 7.290 0.020 1 692 174 75 ARG CA C 51.136 0.300 1 693 174 75 ARG CB C 31.229 0.300 1 694 174 75 ARG CG C 24.044 0.300 1 695 174 75 ARG CD C 40.191 0.300 1 696 174 75 ARG N N 119.247 0.300 1 697 174 75 ARG NE N 85.065 0.300 1 698 175 76 ASP H H 8.290 0.020 1 699 175 76 ASP HA H 4.846 0.020 1 700 175 76 ASP HB2 H 2.519 0.020 1 701 175 76 ASP HB3 H 2.279 0.020 1 702 175 76 ASP CA C 52.514 0.300 1 703 175 76 ASP CB C 38.535 0.300 1 704 175 76 ASP N N 119.844 0.300 1 705 176 77 LEU H H 9.298 0.020 1 706 176 77 LEU HA H 3.344 0.020 1 707 176 77 LEU HB2 H 1.844 0.020 1 708 176 77 LEU HB3 H 1.426 0.020 1 709 176 77 LEU HG H 1.112 0.020 1 710 176 77 LEU HD1 H 0.744 0.020 1 711 176 77 LEU HD2 H -0.117 0.020 1 712 176 77 LEU CA C 52.139 0.300 1 713 176 77 LEU CB C 33.886 0.300 1 714 176 77 LEU CG C 23.391 0.300 1 715 176 77 LEU CD1 C 22.066 0.300 1 716 176 77 LEU CD2 C 18.760 0.300 1 717 176 77 LEU N N 114.448 0.300 1 718 177 78 CYS H H 7.834 0.020 1 719 177 78 CYS HA H 4.547 0.020 1 720 177 78 CYS HB2 H 3.507 0.020 1 721 177 78 CYS HB3 H 3.269 0.020 1 722 177 78 CYS CA C 53.532 0.300 1 723 177 78 CYS CB C 41.582 0.300 1 724 177 78 CYS N N 112.101 0.300 1 725 178 79 ASN H H 9.014 0.020 1 726 178 79 ASN HA H 4.778 0.020 1 727 178 79 ASN HB2 H 2.884 0.020 1 728 178 79 ASN HB3 H 2.529 0.020 1 729 178 79 ASN CA C 49.564 0.300 1 730 178 79 ASN CB C 33.138 0.300 1 731 178 79 ASN N N 122.157 0.300 1 732 179 80 SER H H 7.482 0.020 1 733 179 80 SER HA H 3.945 0.020 1 734 179 80 SER HB2 H 3.753 0.020 1 735 179 80 SER HB3 H 3.753 0.020 1 736 179 80 SER CA C 55.092 0.300 1 737 179 80 SER CB C 59.118 0.300 1 738 179 80 SER N N 109.444 0.300 1 739 180 81 GLU H H 7.936 0.020 1 740 180 81 GLU HA H 4.359 0.020 1 741 180 81 GLU HB2 H 1.783 0.020 1 742 180 81 GLU HB3 H 2.008 0.020 1 743 180 81 GLU HG2 H 2.156 0.020 2 744 180 81 GLU HG3 H 2.205 0.020 2 745 180 81 GLU CA C 52.226 0.300 1 746 180 81 GLU CB C 28.439 0.300 1 747 180 81 GLU CG C 32.399 0.300 1 748 180 81 GLU N N 120.035 0.300 1 749 181 82 LEU H H 7.911 0.020 1 750 181 82 LEU HA H 3.989 0.020 1 751 181 82 LEU HB2 H 1.336 0.020 1 752 181 82 LEU HB3 H 1.336 0.020 1 753 181 82 LEU HG H 1.375 0.020 1 754 181 82 LEU HD1 H 0.619 0.020 2 755 181 82 LEU HD2 H 0.693 0.020 2 756 181 82 LEU CA C 53.452 0.300 1 757 181 82 LEU CB C 40.101 0.300 1 758 181 82 LEU CG C 24.288 0.300 1 759 181 82 LEU CD1 C 21.090 0.300 1 760 181 82 LEU CD2 C 22.256 0.300 1 761 181 82 LEU N N 127.265 0.300 1 stop_ save_