data_25226 ####################### # 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 25226 _BMRB_flat_file_name bmr25226.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" 447 "13C chemical shifts" 247 "15N chemical shifts" 82 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-12-07 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25225 'trans-(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 'cis-(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]' H20 95 % 'natural abundance' D20 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]' H20 95 % 'natural abundance' D20 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]' D20 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 8.300 0.020 1 121 111 12 THR HA H 4.540 0.020 1 122 111 12 THR HB H 4.526 0.020 1 123 111 12 THR HG2 H 1.329 0.020 1 124 111 12 THR CA C 59.003 0.300 1 125 111 12 THR CB C 66.636 0.300 1 126 111 12 THR CG2 C 19.160 0.300 1 127 111 12 THR N N 110.520 0.300 1 128 112 13 SER H H 8.800 0.020 1 129 112 13 SER HA H 3.884 0.020 1 130 112 13 SER HB2 H 3.812 0.020 2 131 112 13 SER HB3 H 3.937 0.020 2 132 112 13 SER CA C 57.909 0.300 1 133 112 13 SER CB C 59.416 0.300 1 134 112 13 SER N N 115.512 0.300 1 135 113 14 ALA H H 8.331 0.020 1 136 113 14 ALA HA H 4.011 0.020 1 137 113 14 ALA HB H 1.383 0.020 1 138 113 14 ALA CA C 51.061 0.300 1 139 113 14 ALA CB C 15.544 0.300 1 140 113 14 ALA N N 118.939 0.300 1 141 114 15 SER H H 7.561 0.020 1 142 114 15 SER HA H 4.515 0.020 1 143 114 15 SER HB2 H 3.881 0.020 2 144 114 15 SER HB3 H 3.968 0.020 2 145 114 15 SER CA C 55.891 0.300 1 146 114 15 SER CB C 61.376 0.300 1 147 114 15 SER N N 110.843 0.300 1 148 115 16 CYS H H 7.576 0.020 1 149 115 16 CYS HA H 5.081 0.020 1 150 115 16 CYS HB2 H 2.720 0.020 1 151 115 16 CYS HB3 H 3.129 0.020 1 152 115 16 CYS CA C 53.227 0.300 1 153 115 16 CYS CB C 41.064 0.300 1 154 115 16 CYS N N 124.537 0.300 1 155 116 17 ARG H H 7.869 0.020 1 156 116 17 ARG HA H 4.495 0.020 1 157 116 17 ARG HB2 H 1.361 0.020 1 158 116 17 ARG HB3 H 1.992 0.020 1 159 116 17 ARG HG2 H 0.896 0.020 2 160 116 17 ARG HG3 H 1.291 0.020 2 161 116 17 ARG HD2 H 2.636 0.020 1 162 116 17 ARG HD3 H 2.636 0.020 1 163 116 17 ARG HE H 6.519 0.020 1 164 116 17 ARG CA C 51.903 0.300 1 165 116 17 ARG CB C 28.608 0.300 1 166 116 17 ARG CG C 24.147 0.300 1 167 116 17 ARG CD C 39.913 0.300 1 168 116 17 ARG N N 121.872 0.300 1 169 116 17 ARG NE N 84.476 0.300 1 170 117 18 THR H H 8.309 0.020 1 171 117 18 THR HA H 4.311 0.020 1 172 117 18 THR HB H 4.426 0.020 1 173 117 18 THR HG2 H 1.167 0.020 1 174 117 18 THR CA C 61.472 0.300 1 175 117 18 THR CB C 65.543 0.300 1 176 117 18 THR CG2 C 18.523 0.300 1 177 117 18 THR N N 119.541 0.300 1 178 118 19 ILE H H 8.949 0.020 1 179 118 19 ILE HA H 3.924 0.020 1 180 118 19 ILE HB H 1.750 0.020 1 181 118 19 ILE HG12 H 1.893 0.020 2 182 118 19 ILE HG13 H 0.697 0.020 2 183 118 19 ILE HG2 H 0.676 0.020 1 184 118 19 ILE HD1 H 0.968 0.020 1 185 118 19 ILE CA C 60.351 0.300 1 186 118 19 ILE CB C 34.735 0.300 1 187 118 19 ILE CG1 C 25.773 0.300 1 188 118 19 ILE CG2 C 14.100 0.300 1 189 118 19 ILE CD1 C 10.330 0.300 1 190 118 19 ILE N N 129.953 0.300 1 191 119 20 THR H H 8.711 0.020 1 192 119 20 THR HA H 4.475 0.020 1 193 119 20 THR HB H 3.803 0.020 1 194 119 20 THR HG2 H 1.107 0.020 1 195 119 20 THR CA C 58.200 0.300 1 196 119 20 THR CB C 67.794 0.300 1 197 119 20 THR CG2 C 18.421 0.300 1 198 119 20 THR N N 126.753 0.300 1 199 120 21 ARG H H 8.549 0.020 1 200 120 21 ARG HA H 4.293 0.020 1 201 120 21 ARG HB2 H 1.769 0.020 1 202 120 21 ARG HB3 H 1.886 0.020 1 203 120 21 ARG HG2 H 1.693 0.020 1 204 120 21 ARG HG3 H 1.693 0.020 1 205 120 21 ARG HD2 H 3.243 0.020 1 206 120 21 ARG HD3 H 3.243 0.020 1 207 120 21 ARG HE H 7.250 0.020 1 208 120 21 ARG CA C 53.380 0.300 1 209 120 21 ARG CB C 26.640 0.300 1 210 120 21 ARG CG C 24.403 0.300 1 211 120 21 ARG CD C 40.395 0.300 1 212 120 21 ARG N N 126.298 0.300 1 213 120 21 ARG NE N 84.894 0.300 1 214 121 22 CYS H H 8.747 0.020 1 215 121 22 CYS HA H 4.774 0.020 1 216 121 22 CYS HB2 H 2.884 0.020 1 217 121 22 CYS HB3 H 4.390 0.020 1 218 121 22 CYS CA C 48.887 0.300 1 219 121 22 CYS CB C 33.669 0.300 1 220 121 22 CYS N N 125.959 0.300 1 221 122 23 LYS H H 8.576 0.020 1 222 122 23 LYS HA H 4.489 0.020 1 223 122 23 LYS HB2 H 1.640 0.020 1 224 122 23 LYS HB3 H 2.070 0.020 1 225 122 23 LYS HG2 H 1.568 0.020 2 226 122 23 LYS HG3 H 1.689 0.020 2 227 122 23 LYS HD2 H 1.794 0.020 1 228 122 23 LYS HD3 H 1.794 0.020 1 229 122 23 LYS HE2 H 3.081 0.020 1 230 122 23 LYS HE3 H 3.081 0.020 1 231 122 23 LYS CA C 52.781 0.300 1 232 122 23 LYS CB C 27.458 0.300 1 233 122 23 LYS CG C 22.132 0.300 1 234 122 23 LYS CD C 25.728 0.300 1 235 122 23 LYS CE C 38.645 0.300 1 236 122 23 LYS N N 119.892 0.300 1 237 123 24 PRO HA H 4.249 0.020 1 238 123 24 PRO HB2 H 2.430 0.020 2 239 123 24 PRO HB3 H 1.965 0.020 2 240 123 24 PRO HG2 H 2.259 0.020 2 241 123 24 PRO HG3 H 2.066 0.020 2 242 123 24 PRO HD2 H 3.892 0.020 2 243 123 24 PRO HD3 H 3.849 0.020 2 244 123 24 PRO CA C 63.009 0.300 1 245 123 24 PRO CB C 28.688 0.300 1 246 123 24 PRO CG C 24.837 0.300 1 247 123 24 PRO CD C 47.139 0.300 1 248 124 25 GLU H H 8.892 0.020 1 249 124 25 GLU HA H 4.222 0.020 1 250 124 25 GLU HB2 H 2.084 0.020 1 251 124 25 GLU HB3 H 2.084 0.020 1 252 124 25 GLU HG2 H 2.278 0.020 1 253 124 25 GLU HG3 H 2.278 0.020 1 254 124 25 GLU CA C 54.020 0.300 1 255 124 25 GLU CB C 25.773 0.300 1 256 124 25 GLU CG C 32.891 0.300 1 257 124 25 GLU N N 112.877 0.300 1 258 125 26 ASP H H 7.675 0.020 1 259 125 26 ASP HA H 4.514 0.020 1 260 125 26 ASP HB2 H 2.932 0.020 1 261 125 26 ASP HB3 H 2.412 0.020 1 262 125 26 ASP CA C 53.162 0.300 1 263 125 26 ASP CB C 37.075 0.300 1 264 125 26 ASP N N 120.983 0.300 1 265 126 27 THR H H 8.139 0.020 1 266 126 27 THR HA H 4.445 0.020 1 267 126 27 THR HB H 4.553 0.020 1 268 126 27 THR HG2 H 1.290 0.020 1 269 126 27 THR CA C 57.795 0.300 1 270 126 27 THR CB C 68.080 0.300 1 271 126 27 THR CG2 C 18.894 0.300 1 272 126 27 THR N N 110.714 0.300 1 273 127 28 ALA H H 8.408 0.020 1 274 127 28 ALA HA H 4.969 0.020 1 275 127 28 ALA HB H 1.249 0.020 1 276 127 28 ALA CA C 47.826 0.300 1 277 127 28 ALA CB C 21.011 0.300 1 278 127 28 ALA N N 123.060 0.300 1 279 128 29 CYS H H 8.764 0.020 1 280 128 29 CYS HA H 5.405 0.020 1 281 128 29 CYS HB2 H 2.845 0.020 1 282 128 29 CYS HB3 H 3.129 0.020 1 283 128 29 CYS CA C 49.138 0.300 1 284 128 29 CYS CB C 33.728 0.300 1 285 128 29 CYS N N 115.816 0.300 1 286 129 30 MET H H 9.366 0.020 1 287 129 30 MET HA H 5.485 0.020 1 288 129 30 MET HB2 H 1.725 0.020 1 289 129 30 MET HB3 H 2.212 0.020 1 290 129 30 MET HG2 H 2.637 0.020 2 291 129 30 MET HG3 H 2.373 0.020 2 292 129 30 MET HE H 2.046 0.020 1 293 129 30 MET CA C 51.630 0.300 1 294 129 30 MET CB C 35.308 0.300 1 295 129 30 MET CG C 28.604 0.300 1 296 129 30 MET CE C 14.162 0.300 1 297 129 30 MET N N 126.078 0.300 1 298 130 31 THR H H 8.903 0.020 1 299 130 31 THR HA H 5.177 0.020 1 300 130 31 THR HB H 4.117 0.020 1 301 130 31 THR HG2 H 1.245 0.020 1 302 130 31 THR CA C 59.260 0.300 1 303 130 31 THR CB C 68.549 0.300 1 304 130 31 THR CG2 C 18.292 0.300 1 305 130 31 THR N N 123.706 0.300 1 306 131 32 THR H H 9.284 0.020 1 307 131 32 THR HA H 5.110 0.020 1 308 131 32 THR HB H 4.122 0.020 1 309 131 32 THR HG2 H 0.980 0.020 1 310 131 32 THR CA C 58.370 0.300 1 311 131 32 THR CB C 66.519 0.300 1 312 131 32 THR CG2 C 17.746 0.300 1 313 131 32 THR N N 123.644 0.300 1 314 132 33 LEU H H 9.113 0.020 1 315 132 33 LEU HA H 4.783 0.020 1 316 132 33 LEU HB2 H 1.590 0.020 2 317 132 33 LEU HB3 H 2.071 0.020 2 318 132 33 LEU HG H 1.654 0.020 1 319 132 33 LEU HD1 H 1.004 0.020 1 320 132 33 LEU HD2 H 1.004 0.020 1 321 132 33 LEU CA C 51.904 0.300 1 322 132 33 LEU CB C 40.772 0.300 1 323 132 33 LEU CG C 24.988 0.300 1 324 132 33 LEU CD1 C 21.989 0.300 1 325 132 33 LEU CD2 C 22.811 0.300 1 326 132 33 LEU N N 128.357 0.300 1 327 133 34 VAL H H 8.634 0.020 1 328 133 34 VAL HA H 4.117 0.020 1 329 133 34 VAL HB H 1.937 0.020 1 330 133 34 VAL HG1 H 0.880 0.020 1 331 133 34 VAL HG2 H 0.880 0.020 1 332 133 34 VAL CA C 59.945 0.300 1 333 133 34 VAL CB C 29.536 0.300 1 334 133 34 VAL CG1 C 17.941 0.300 1 335 133 34 VAL CG2 C 18.203 0.300 1 336 133 34 VAL N N 126.345 0.300 1 337 134 35 THR H H 7.962 0.020 1 338 134 35 THR HA H 4.470 0.020 1 339 134 35 THR HB H 4.208 0.020 1 340 134 35 THR HG2 H 1.160 0.020 1 341 134 35 THR CA C 58.365 0.300 1 342 134 35 THR CB C 66.576 0.300 1 343 134 35 THR CG2 C 18.299 0.300 1 344 134 35 THR N N 116.526 0.300 1 345 135 36 VAL H H 8.161 0.020 1 346 135 36 VAL HA H 4.285 0.020 1 347 135 36 VAL HB H 2.117 0.020 1 348 135 36 VAL HG1 H 0.922 0.020 1 349 135 36 VAL HG2 H 0.922 0.020 1 350 135 36 VAL CA C 58.622 0.300 1 351 135 36 VAL CB C 30.236 0.300 1 352 135 36 VAL CG1 C 18.264 0.300 1 353 135 36 VAL CG2 C 17.170 0.300 1 354 135 36 VAL N N 121.426 0.300 1 355 136 37 GLU H H 8.417 0.020 1 356 136 37 GLU HA H 4.347 0.020 1 357 136 37 GLU HB2 H 1.933 0.020 2 358 136 37 GLU HB3 H 2.091 0.020 2 359 136 37 GLU HG2 H 2.269 0.020 1 360 136 37 GLU HG3 H 2.269 0.020 1 361 136 37 GLU CA C 53.312 0.300 1 362 136 37 GLU CB C 26.839 0.300 1 363 136 37 GLU CG C 32.887 0.300 1 364 136 37 GLU N N 123.625 0.300 1 365 137 38 ALA H H 8.310 0.020 1 366 137 38 ALA HA H 4.443 0.020 1 367 137 38 ALA HB H 1.437 0.020 1 368 137 38 ALA CA C 49.144 0.300 1 369 137 38 ALA CB C 16.981 0.300 1 370 137 38 ALA N N 125.048 0.300 1 371 138 39 GLU H H 8.108 0.020 1 372 138 39 GLU HA H 4.449 0.020 1 373 138 39 GLU HB2 H 1.977 0.020 2 374 138 39 GLU HB3 H 2.130 0.020 2 375 138 39 GLU HG2 H 2.331 0.020 1 376 138 39 GLU HG3 H 2.331 0.020 1 377 138 39 GLU CA C 52.265 0.300 1 378 138 39 GLU CB C 28.150 0.300 1 379 138 39 GLU CG C 32.852 0.300 1 380 138 39 GLU N N 118.662 0.300 1 381 139 40 TYR H H 8.372 0.020 1 382 139 40 TYR HA H 4.102 0.020 1 383 139 40 TYR HB2 H 2.838 0.020 2 384 139 40 TYR HB3 H 3.009 0.020 2 385 139 40 TYR HD1 H 7.049 0.020 1 386 139 40 TYR HD2 H 7.049 0.020 1 387 139 40 TYR CA C 53.598 0.300 1 388 139 40 TYR CB C 36.271 0.300 1 389 139 40 TYR N N 123.909 0.300 1 390 140 41 PRO HA H 3.394 0.020 1 391 140 41 PRO HB2 H 1.182 0.020 2 392 140 41 PRO HB3 H 1.750 0.020 2 393 140 41 PRO HG2 H 1.061 0.020 2 394 140 41 PRO HG3 H 1.560 0.020 2 395 140 41 PRO HD2 H 3.241 0.020 2 396 140 41 PRO HD3 H 3.107 0.020 2 397 140 41 PRO CA C 60.263 0.300 1 398 140 41 PRO CB C 29.852 0.300 1 399 140 41 PRO CG C 20.891 0.300 1 400 140 41 PRO CD C 46.539 0.300 1 401 141 42 PHE H H 8.304 0.020 1 402 141 42 PHE HA H 4.536 0.020 1 403 141 42 PHE HB2 H 3.093 0.020 2 404 141 42 PHE HB3 H 3.286 0.020 2 405 141 42 PHE HD1 H 7.266 0.020 1 406 141 42 PHE HD2 H 7.266 0.020 1 407 141 42 PHE HE1 H 7.403 0.020 1 408 141 42 PHE HE2 H 7.403 0.020 1 409 141 42 PHE CA C 55.133 0.300 1 410 141 42 PHE CB C 35.108 0.300 1 411 141 42 PHE N N 123.353 0.300 1 412 142 43 ASN H H 8.285 0.020 1 413 142 43 ASN HA H 4.660 0.020 1 414 142 43 ASN HB2 H 2.856 0.020 2 415 142 43 ASN HB3 H 2.741 0.020 2 416 142 43 ASN HD21 H 7.538 0.020 2 417 142 43 ASN HD22 H 6.855 0.020 2 418 142 43 ASN CA C 50.245 0.300 1 419 142 43 ASN CB C 35.363 0.300 1 420 142 43 ASN N N 118.075 0.300 1 421 142 43 ASN ND2 N 111.905 0.300 1 422 143 44 GLN H H 8.156 0.020 1 423 143 44 GLN HA H 4.380 0.020 1 424 143 44 GLN HB2 H 1.973 0.020 2 425 143 44 GLN HB3 H 2.168 0.020 2 426 143 44 GLN HG2 H 2.346 0.020 1 427 143 44 GLN HG3 H 2.346 0.020 1 428 143 44 GLN HE21 H 7.496 0.020 2 429 143 44 GLN HE22 H 6.855 0.020 2 430 143 44 GLN CA C 52.792 0.300 1 431 143 44 GLN CB C 26.579 0.300 1 432 143 44 GLN CG C 30.835 0.300 1 433 143 44 GLN N N 119.628 0.300 1 434 143 44 GLN NE2 N 112.052 0.300 1 435 144 45 SER H H 8.248 0.020 1 436 144 45 SER HA H 4.830 0.020 1 437 144 45 SER HB2 H 3.813 0.020 2 438 144 45 SER HB3 H 3.905 0.020 2 439 144 45 SER CA C 53.218 0.300 1 440 144 45 SER CB C 60.633 0.300 1 441 144 45 SER N N 117.221 0.300 1 442 145 46 PRO HA H 4.476 0.020 1 443 145 46 PRO HB2 H 2.208 0.020 2 444 145 46 PRO HB3 H 1.736 0.020 2 445 145 46 PRO HG2 H 1.997 0.020 1 446 145 46 PRO HG3 H 1.997 0.020 1 447 145 46 PRO HD2 H 3.805 0.020 2 448 145 46 PRO HD3 H 3.691 0.020 2 449 145 46 PRO CA C 60.083 0.300 1 450 145 46 PRO CB C 29.352 0.300 1 451 145 46 PRO CG C 24.307 0.300 1 452 145 46 PRO CD C 47.670 0.300 1 453 146 47 VAL H H 8.218 0.020 1 454 146 47 VAL HA H 4.305 0.020 1 455 146 47 VAL HB H 1.863 0.020 1 456 146 47 VAL HG1 H 0.763 0.020 2 457 146 47 VAL HG2 H 0.856 0.020 2 458 146 47 VAL CA C 58.265 0.300 1 459 146 47 VAL CB C 30.081 0.300 1 460 146 47 VAL CG1 C 19.088 0.300 1 461 146 47 VAL CG2 C 17.381 0.300 1 462 146 47 VAL N N 120.050 0.300 1 463 147 48 VAL H H 9.077 0.020 1 464 147 48 VAL HA H 5.691 0.020 1 465 147 48 VAL HB H 2.256 0.020 1 466 147 48 VAL HG1 H 0.694 0.020 2 467 147 48 VAL HG2 H 0.773 0.020 2 468 147 48 VAL CA C 55.388 0.300 1 469 147 48 VAL CB C 32.761 0.300 1 470 147 48 VAL CG1 C 15.023 0.300 1 471 147 48 VAL CG2 C 19.137 0.300 1 472 147 48 VAL N N 117.271 0.300 1 473 148 49 THR H H 8.442 0.020 1 474 148 49 THR HA H 4.906 0.020 1 475 148 49 THR HB H 4.236 0.020 1 476 148 49 THR HG2 H 0.937 0.020 1 477 148 49 THR CA C 58.020 0.300 1 478 148 49 THR CB C 67.765 0.300 1 479 148 49 THR CG2 C 18.598 0.300 1 480 148 49 THR N N 107.103 0.300 1 481 149 50 ARG H H 7.623 0.020 1 482 149 50 ARG HA H 5.631 0.020 1 483 149 50 ARG HB2 H 2.171 0.020 1 484 149 50 ARG HB3 H 1.569 0.020 1 485 149 50 ARG HG2 H 1.712 0.020 2 486 149 50 ARG HG3 H 2.247 0.020 2 487 149 50 ARG HD2 H 3.184 0.020 1 488 149 50 ARG HD3 H 3.184 0.020 1 489 149 50 ARG HE H 6.011 0.020 1 490 149 50 ARG CA C 51.979 0.300 1 491 149 50 ARG CB C 33.261 0.300 1 492 149 50 ARG CG C 27.616 0.300 1 493 149 50 ARG CD C 39.968 0.300 1 494 149 50 ARG N N 120.370 0.300 1 495 149 50 ARG NE N 89.377 0.300 1 496 150 51 SER H H 8.709 0.020 1 497 150 51 SER HA H 4.790 0.020 1 498 150 51 SER HB2 H 3.874 0.020 1 499 150 51 SER HB3 H 3.874 0.020 1 500 150 51 SER CA C 54.647 0.300 1 501 150 51 SER CB C 63.412 0.300 1 502 150 51 SER N N 113.789 0.300 1 503 151 52 CYS H H 8.473 0.020 1 504 151 52 CYS HA H 5.141 0.020 1 505 151 52 CYS HB2 H 3.189 0.020 1 506 151 52 CYS HB3 H 3.127 0.020 1 507 151 52 CYS CA C 55.095 0.300 1 508 151 52 CYS CB C 42.021 0.300 1 509 151 52 CYS N N 120.824 0.300 1 510 152 53 SER H H 9.052 0.020 1 511 152 53 SER HA H 4.834 0.020 1 512 152 53 SER HB2 H 3.688 0.020 1 513 152 53 SER HB3 H 3.235 0.020 1 514 152 53 SER CA C 54.771 0.300 1 515 152 53 SER CB C 62.761 0.300 1 516 152 53 SER N N 115.253 0.300 1 517 153 54 SER H H 8.783 0.020 1 518 153 54 SER HA H 4.930 0.020 1 519 153 54 SER HB2 H 4.160 0.020 1 520 153 54 SER HB3 H 4.010 0.020 1 521 153 54 SER CA C 55.479 0.300 1 522 153 54 SER CB C 61.137 0.300 1 523 153 54 SER N N 120.787 0.300 1 524 154 55 SER H H 8.300 0.020 1 525 154 55 SER HA H 4.555 0.020 1 526 154 55 SER HB2 H 3.872 0.020 1 527 154 55 SER HB3 H 3.717 0.020 1 528 154 55 SER CA C 54.084 0.300 1 529 154 55 SER CB C 60.141 0.300 1 530 154 55 SER N N 117.808 0.300 1 531 155 56 CYS H H 8.668 0.020 1 532 155 56 CYS HA H 4.372 0.020 1 533 155 56 CYS HB2 H 2.619 0.020 1 534 155 56 CYS HB3 H 3.007 0.020 1 535 155 56 CYS CA C 55.638 0.300 1 536 155 56 CYS CB C 37.300 0.300 1 537 155 56 CYS N N 125.978 0.300 1 538 156 57 VAL H H 8.239 0.020 1 539 156 57 VAL HA H 4.165 0.020 1 540 156 57 VAL HB H 1.984 0.020 1 541 156 57 VAL HG1 H 0.928 0.020 1 542 156 57 VAL HG2 H 0.890 0.020 1 543 156 57 VAL CA C 58.943 0.300 1 544 156 57 VAL CB C 30.381 0.300 1 545 156 57 VAL CG1 C 17.976 0.300 1 546 156 57 VAL CG2 C 17.460 0.300 1 547 156 57 VAL N N 129.527 0.300 1 548 157 58 ALA H H 8.414 0.020 1 549 157 58 ALA HA H 4.142 0.020 1 550 157 58 ALA HB H 1.438 0.020 1 551 157 58 ALA CA C 49.047 0.300 1 552 157 58 ALA CB C 16.567 0.300 1 553 157 58 ALA N N 130.280 0.300 1 554 158 59 THR H H 8.219 0.020 1 555 158 59 THR HA H 4.214 0.020 1 556 158 59 THR HB H 4.039 0.020 1 557 158 59 THR HG2 H 1.318 0.020 1 558 158 59 THR CA C 59.207 0.300 1 559 158 59 THR CB C 66.814 0.300 1 560 158 59 THR CG2 C 19.192 0.300 1 561 158 59 THR N N 115.127 0.300 1 562 159 60 ASP H H 8.548 0.020 1 563 159 60 ASP HA H 4.858 0.020 1 564 159 60 ASP HB2 H 2.682 0.020 1 565 159 60 ASP HB3 H 2.782 0.020 1 566 159 60 ASP CA C 49.315 0.300 1 567 159 60 ASP CB C 38.260 0.300 1 568 159 60 ASP N N 125.274 0.300 1 569 160 61 PRO HA H 4.380 0.020 1 570 160 61 PRO HB2 H 2.025 0.020 2 571 160 61 PRO HB3 H 2.363 0.020 2 572 160 61 PRO HG2 H 2.071 0.020 1 573 160 61 PRO HG3 H 2.071 0.020 1 574 160 61 PRO HD2 H 3.956 0.020 2 575 160 61 PRO HD3 H 3.875 0.020 2 576 160 61 PRO CA C 61.319 0.300 1 577 160 61 PRO CB C 29.002 0.300 1 578 160 61 PRO CG C 24.222 0.300 1 579 160 61 PRO CD C 48.009 0.300 1 580 161 62 ASP H H 8.402 0.020 1 581 161 62 ASP HA H 4.709 0.020 1 582 161 62 ASP HB2 H 2.706 0.020 2 583 161 62 ASP HB3 H 2.780 0.020 2 584 161 62 ASP CA C 51.383 0.300 1 585 161 62 ASP CB C 37.609 0.300 1 586 161 62 ASP N N 116.981 0.300 1 587 162 63 SER H H 7.865 0.020 1 588 162 63 SER HA H 4.477 0.020 1 589 162 63 SER HB2 H 3.913 0.020 1 590 162 63 SER HB3 H 3.913 0.020 1 591 162 63 SER CA C 55.371 0.300 1 592 162 63 SER CB C 60.763 0.300 1 593 162 63 SER N N 115.678 0.300 1 594 163 64 ILE H H 8.098 0.020 1 595 163 64 ILE HA H 4.190 0.020 1 596 163 64 ILE HB H 1.917 0.020 1 597 163 64 ILE HG12 H 1.533 0.020 2 598 163 64 ILE HG13 H 1.249 0.020 2 599 163 64 ILE HG2 H 0.946 0.020 1 600 163 64 ILE HD1 H 0.901 0.020 1 601 163 64 ILE CA C 58.539 0.300 1 602 163 64 ILE CB C 35.563 0.300 1 603 163 64 ILE CG1 C 24.379 0.300 1 604 163 64 ILE CG2 C 14.416 0.300 1 605 163 64 ILE CD1 C 9.943 0.300 1 606 163 64 ILE N N 122.425 0.300 1 607 164 65 GLY H H 8.564 0.020 1 608 164 65 GLY HA2 H 3.991 0.020 1 609 164 65 GLY HA3 H 3.881 0.020 1 610 164 65 GLY CA C 42.342 0.300 1 611 164 65 GLY N N 112.830 0.300 1 612 165 66 ALA H H 7.901 0.020 1 613 165 66 ALA HA H 4.318 0.020 1 614 165 66 ALA HB H 1.388 0.020 1 615 165 66 ALA CA C 49.188 0.300 1 616 165 66 ALA CB C 16.158 0.300 1 617 165 66 ALA N N 123.606 0.300 1 618 166 67 ALA H H 8.243 0.020 1 619 166 67 ALA HA H 4.232 0.020 1 620 166 67 ALA HB H 1.330 0.020 1 621 166 67 ALA CA C 49.778 0.300 1 622 166 67 ALA CB C 16.171 0.300 1 623 166 67 ALA N N 122.736 0.300 1 624 167 68 HIS H H 7.931 0.020 1 625 167 68 HIS HA H 4.987 0.020 1 626 167 68 HIS HB2 H 3.022 0.020 1 627 167 68 HIS HB3 H 3.181 0.020 1 628 167 68 HIS HD2 H 7.150 0.020 1 629 167 68 HIS HE1 H 8.459 0.020 1 630 167 68 HIS CA C 51.148 0.300 1 631 167 68 HIS CB C 27.221 0.300 1 632 167 68 HIS CD2 C 119.043 0.300 1 633 167 68 HIS CE1 C 136.075 0.300 1 634 167 68 HIS N N 114.237 0.300 1 635 168 69 LEU H H 8.371 0.020 1 636 168 69 LEU HA H 4.480 0.020 1 637 168 69 LEU HB2 H 1.708 0.020 1 638 168 69 LEU HB3 H 1.402 0.020 1 639 168 69 LEU HG H 1.597 0.020 1 640 168 69 LEU HD1 H 0.968 0.020 2 641 168 69 LEU HD2 H 0.875 0.020 2 642 168 69 LEU CA C 52.044 0.300 1 643 168 69 LEU CB C 40.719 0.300 1 644 168 69 LEU CG C 24.162 0.300 1 645 168 69 LEU CD1 C 22.243 0.300 1 646 168 69 LEU CD2 C 20.887 0.300 1 647 168 69 LEU N N 123.034 0.300 1 648 169 70 ILE H H 8.097 0.020 1 649 169 70 ILE HA H 4.907 0.020 1 650 169 70 ILE HB H 1.775 0.020 1 651 169 70 ILE HG12 H 1.491 0.020 2 652 169 70 ILE HG13 H 1.217 0.020 2 653 169 70 ILE HG2 H 0.872 0.020 1 654 169 70 ILE HD1 H 0.873 0.020 1 655 169 70 ILE CA C 56.856 0.300 1 656 169 70 ILE CB C 37.464 0.300 1 657 169 70 ILE CG1 C 24.743 0.300 1 658 169 70 ILE CG2 C 15.972 0.300 1 659 169 70 ILE CD1 C 10.306 0.300 1 660 169 70 ILE N N 121.493 0.300 1 661 170 71 PHE H H 9.246 0.020 1 662 170 71 PHE HA H 4.930 0.020 1 663 170 71 PHE HB2 H 2.823 0.020 1 664 170 71 PHE HB3 H 3.209 0.020 1 665 170 71 PHE HD1 H 7.173 0.020 1 666 170 71 PHE HD2 H 7.173 0.020 1 667 170 71 PHE HE1 H 7.240 0.020 1 668 170 71 PHE HE2 H 7.240 0.020 1 669 170 71 PHE HZ H 7.408 0.020 1 670 170 71 PHE CA C 52.803 0.300 1 671 170 71 PHE CB C 38.773 0.300 1 672 170 71 PHE N N 125.500 0.300 1 673 171 72 CYS H H 8.577 0.020 1 674 171 72 CYS HA H 5.361 0.020 1 675 171 72 CYS HB2 H 2.697 0.020 1 676 171 72 CYS HB3 H 2.697 0.020 1 677 171 72 CYS CA C 49.869 0.300 1 678 171 72 CYS CB C 42.371 0.300 1 679 171 72 CYS N N 118.630 0.300 1 680 172 73 CYS H H 8.679 0.020 1 681 172 73 CYS HA H 4.459 0.020 1 682 172 73 CYS HB2 H 3.458 0.020 1 683 172 73 CYS HB3 H 3.253 0.020 1 684 172 73 CYS CA C 51.892 0.300 1 685 172 73 CYS CB C 41.131 0.300 1 686 172 73 CYS N N 118.255 0.300 1 687 173 74 PHE H H 8.810 0.020 1 688 173 74 PHE HA H 5.148 0.020 1 689 173 74 PHE HB2 H 2.813 0.020 1 690 173 74 PHE HB3 H 3.753 0.020 1 691 173 74 PHE HD1 H 7.501 0.020 1 692 173 74 PHE HD2 H 7.501 0.020 1 693 173 74 PHE HE1 H 7.366 0.020 1 694 173 74 PHE HE2 H 7.366 0.020 1 695 173 74 PHE CA C 55.243 0.300 1 696 173 74 PHE CB C 37.440 0.300 1 697 173 74 PHE N N 119.428 0.300 1 698 174 75 ARG H H 7.450 0.020 1 699 174 75 ARG HA H 4.774 0.020 1 700 174 75 ARG HB2 H 1.708 0.020 1 701 174 75 ARG HB3 H 1.912 0.020 1 702 174 75 ARG HG2 H 1.691 0.020 1 703 174 75 ARG HG3 H 1.691 0.020 1 704 174 75 ARG HD2 H 3.296 0.020 1 705 174 75 ARG HD3 H 3.296 0.020 1 706 174 75 ARG HE H 7.290 0.020 1 707 174 75 ARG CA C 51.136 0.300 1 708 174 75 ARG CB C 31.229 0.300 1 709 174 75 ARG CG C 24.044 0.300 1 710 174 75 ARG CD C 40.191 0.300 1 711 174 75 ARG N N 119.247 0.300 1 712 174 75 ARG NE N 85.065 0.300 1 713 175 76 ASP H H 8.290 0.020 1 714 175 76 ASP HA H 4.846 0.020 1 715 175 76 ASP HB2 H 2.519 0.020 1 716 175 76 ASP HB3 H 2.279 0.020 1 717 175 76 ASP CA C 52.514 0.300 1 718 175 76 ASP CB C 38.535 0.300 1 719 175 76 ASP N N 119.844 0.300 1 720 176 77 LEU H H 9.298 0.020 1 721 176 77 LEU HA H 3.344 0.020 1 722 176 77 LEU HB2 H 1.844 0.020 1 723 176 77 LEU HB3 H 1.426 0.020 1 724 176 77 LEU HG H 1.112 0.020 1 725 176 77 LEU HD1 H 0.744 0.020 1 726 176 77 LEU HD2 H -0.117 0.020 1 727 176 77 LEU CA C 52.139 0.300 1 728 176 77 LEU CB C 33.886 0.300 1 729 176 77 LEU CG C 23.391 0.300 1 730 176 77 LEU CD1 C 22.066 0.300 1 731 176 77 LEU CD2 C 18.760 0.300 1 732 176 77 LEU N N 114.448 0.300 1 733 177 78 CYS H H 7.834 0.020 1 734 177 78 CYS HA H 4.547 0.020 1 735 177 78 CYS HB2 H 3.507 0.020 1 736 177 78 CYS HB3 H 3.269 0.020 1 737 177 78 CYS CA C 53.532 0.300 1 738 177 78 CYS CB C 41.582 0.300 1 739 177 78 CYS N N 112.101 0.300 1 740 178 79 ASN H H 9.014 0.020 1 741 178 79 ASN HA H 4.778 0.020 1 742 178 79 ASN HB2 H 2.884 0.020 1 743 178 79 ASN HB3 H 2.529 0.020 1 744 178 79 ASN CA C 49.564 0.300 1 745 178 79 ASN CB C 33.138 0.300 1 746 178 79 ASN N N 122.157 0.300 1 747 179 80 SER H H 7.482 0.020 1 748 179 80 SER HA H 3.945 0.020 1 749 179 80 SER HB2 H 3.753 0.020 1 750 179 80 SER HB3 H 3.753 0.020 1 751 179 80 SER CA C 55.092 0.300 1 752 179 80 SER CB C 59.118 0.300 1 753 179 80 SER N N 109.444 0.300 1 754 180 81 GLU H H 7.936 0.020 1 755 180 81 GLU HA H 4.359 0.020 1 756 180 81 GLU HB2 H 1.783 0.020 1 757 180 81 GLU HB3 H 2.008 0.020 1 758 180 81 GLU HG2 H 2.156 0.020 2 759 180 81 GLU HG3 H 2.205 0.020 2 760 180 81 GLU CA C 52.226 0.300 1 761 180 81 GLU CB C 28.439 0.300 1 762 180 81 GLU CG C 32.399 0.300 1 763 180 81 GLU N N 120.035 0.300 1 764 181 82 LEU H H 7.911 0.020 1 765 181 82 LEU HA H 3.989 0.020 1 766 181 82 LEU HB2 H 1.336 0.020 1 767 181 82 LEU HB3 H 1.336 0.020 1 768 181 82 LEU HG H 1.375 0.020 1 769 181 82 LEU HD1 H 0.619 0.020 2 770 181 82 LEU HD2 H 0.693 0.020 2 771 181 82 LEU CA C 53.452 0.300 1 772 181 82 LEU CB C 40.101 0.300 1 773 181 82 LEU CG C 24.288 0.300 1 774 181 82 LEU CD1 C 21.090 0.300 1 775 181 82 LEU CD2 C 22.256 0.300 1 776 181 82 LEU N N 127.265 0.300 1 stop_ save_