data_25887 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the SLURP-2, a secreted isoform of Lynx1 ; _BMRB_accession_number 25887 _BMRB_flat_file_name bmr25887.str _Entry_type original _Submission_date 2015-11-11 _Accession_date 2015-11-11 _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" 404 "13C chemical shifts" 300 "15N chemical shifts" 78 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-09-15 original BMRB . stop_ _Original_release_date 2016-09-15 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title ; Secreted Isoform of Human Lynx1 (SLURP-2): Spatial Structure and Pharmacology of Interactions with Different Types of Acetylcholine Receptors ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27485575 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lyukmanova E. N. . 2 Shulepko M. A. . 3 Shenkarev Z. O. . 4 Bychkov M. L. . 5 Paramonov A. S. . 6 Chugunov A. O. . 7 Kulbatskii D. S. . 8 Arvaniti M. . . 9 Dolejsi E. . . 10 Schaer T. . . 11 Arseniev A. S. . 12 Efremov R. G. . 13 Thomsen M. S. . 14 Dolezal V. . . 15 Bertrand D. . . 16 Dolgikh D. A. . 17 Kirpichnikov M. P. . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_volume 6 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 30698 _Page_last 30698 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'SLURP-2, a secreted isoform of Lynx1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SLURP-2 $SLURP-2 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_SLURP-2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SLURP-2 _Molecular_mass 8163.446 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 76 _Mol_residue_sequence ; MIWCHQCTGFGGCSHGSRCL RDSTHCVTTATRVLSNTEDL PLVTKMCHIGCPDIPSLGLG PYVSIACCQTSLCNHD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 100 MET 2 101 ILE 3 102 TRP 4 103 CYS 5 104 HIS 6 105 GLN 7 106 CYS 8 107 THR 9 108 GLY 10 109 PHE 11 110 GLY 12 111 GLY 13 112 CYS 14 113 SER 15 114 HIS 16 115 GLY 17 116 SER 18 117 ARG 19 118 CYS 20 119 LEU 21 120 ARG 22 121 ASP 23 122 SER 24 123 THR 25 124 HIS 26 125 CYS 27 126 VAL 28 127 THR 29 128 THR 30 129 ALA 31 130 THR 32 131 ARG 33 132 VAL 34 133 LEU 35 134 SER 36 135 ASN 37 136 THR 38 137 GLU 39 138 ASP 40 139 LEU 41 140 PRO 42 141 LEU 43 142 VAL 44 143 THR 45 144 LYS 46 145 MET 47 146 CYS 48 147 HIS 49 148 ILE 50 149 GLY 51 150 CYS 52 151 PRO 53 152 ASP 54 153 ILE 55 154 PRO 56 155 SER 57 156 LEU 58 157 GLY 59 158 LEU 60 159 GLY 61 160 PRO 62 161 TYR 63 162 VAL 64 163 SER 65 164 ILE 66 165 ALA 67 166 CYS 68 167 CYS 69 168 GLN 70 169 THR 71 170 SER 72 171 LEU 73 172 CYS 74 173 ASN 75 174 HIS 76 175 ASP 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 $SLURP-2 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 _Variant _Vector_name $SLURP-2 '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 $SLURP-2 0.5 mM '[U-99% 13C; U-99% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' dioxane-d6 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-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_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HNHB_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 . mM pH 5.0 . pH pressure 1 . atm temperature 315 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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 '3D HNCO' '3D HNCACB' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name SLURP-2 _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 4.454 0.01 1 2 100 1 MET HB2 H 2.170 0.01 1 3 100 1 MET HB3 H 2.170 0.01 1 4 100 1 MET HG2 H 2.612 0.01 2 5 100 1 MET HG3 H 2.504 0.01 2 6 100 1 MET HE H 2.054 0.01 1 7 100 1 MET C C 171.458 0.1 1 8 100 1 MET CA C 54.631 0.1 1 9 100 1 MET CB C 32.134 0.1 1 10 100 1 MET CG C 30.832 0.1 1 11 100 1 MET CE C 16.395 0.1 1 12 101 2 ILE H H 8.681 0.01 1 13 101 2 ILE HA H 4.608 0.01 1 14 101 2 ILE HB H 1.769 0.01 1 15 101 2 ILE HG12 H 1.142 0.01 2 16 101 2 ILE HG13 H 1.415 0.01 2 17 101 2 ILE HG2 H 0.742 0.01 1 18 101 2 ILE HD1 H 0.589 0.01 1 19 101 2 ILE C C 172.659 0.1 1 20 101 2 ILE CA C 60.654 0.1 1 21 101 2 ILE CB C 41.301 0.1 1 22 101 2 ILE CG1 C 27.328 0.1 1 23 101 2 ILE CG2 C 15.64 0.1 1 24 101 2 ILE CD1 C 13.295 0.1 1 25 101 2 ILE N N 123.543 0.1 1 26 102 3 TRP H H 8.008 0.01 1 27 102 3 TRP HA H 5.098 0.01 1 28 102 3 TRP HB2 H 2.832 0.01 1 29 102 3 TRP HB3 H 2.832 0.01 1 30 102 3 TRP HD1 H 7.141 0.01 1 31 102 3 TRP HE1 H 10.171 0.01 1 32 102 3 TRP HE3 H 7.047 0.01 1 33 102 3 TRP HZ2 H 7.463 0.01 1 34 102 3 TRP HZ3 H 6.996 0.01 1 35 102 3 TRP HH2 H 7.212 0.01 1 36 102 3 TRP C C 175.757 0.1 1 37 102 3 TRP CA C 55.779 0.1 1 38 102 3 TRP CB C 30.206 0.1 1 39 102 3 TRP CD1 C 125.391 0.1 1 40 102 3 TRP CE3 C 119.8 0.1 1 41 102 3 TRP CZ2 C 114.548 0.1 1 42 102 3 TRP CZ3 C 122.086 0.1 1 43 102 3 TRP CH2 C 124.845 0.1 1 44 102 3 TRP N N 123.817 0.1 1 45 102 3 TRP NE1 N 129.856 0.1 1 46 103 4 CYS H H 8.481 0.01 1 47 103 4 CYS HA H 5.095 0.01 1 48 103 4 CYS HB2 H 2.701 0.01 2 49 103 4 CYS HB3 H 3.019 0.01 2 50 103 4 CYS C C 175.07 0.1 1 51 103 4 CYS CA C 52.011 0.1 1 52 103 4 CYS CB C 41.944 0.1 1 53 103 4 CYS N N 116.424 0.1 1 54 104 5 HIS H H 9.364 0.01 1 55 104 5 HIS HA H 4.596 0.01 1 56 104 5 HIS HB2 H 2.693 0.01 1 57 104 5 HIS HB3 H 2.693 0.01 1 58 104 5 HIS HD2 H 6.588 0.01 1 59 104 5 HIS HE1 H 7.843 0.01 1 60 104 5 HIS C C 176.075 0.1 1 61 104 5 HIS CA C 58.733 0.1 1 62 104 5 HIS CB C 30.984 0.1 1 63 104 5 HIS CD2 C 115.497 0.1 1 64 104 5 HIS CE1 C 139.517 0.1 1 65 104 5 HIS N N 123.159 0.1 1 66 105 6 GLN H H 8.108 0.01 1 67 105 6 GLN HA H 4.978 0.01 1 68 105 6 GLN HB2 H 1.931 0.01 2 69 105 6 GLN HB3 H 2.229 0.01 2 70 105 6 GLN HG2 H 2.259 0.01 2 71 105 6 GLN HG3 H 2.052 0.01 2 72 105 6 GLN HE21 H 6.750 0.01 2 73 105 6 GLN HE22 H 6.247 0.01 2 74 105 6 GLN C C 173.623 0.1 1 75 105 6 GLN CA C 54.369 0.1 1 76 105 6 GLN CB C 30.782 0.1 1 77 105 6 GLN CG C 34.599 0.1 1 78 105 6 GLN N N 123.570 0.1 1 79 105 6 GLN NE2 N 115.086 0.1 1 80 106 7 CYS H H 8.458 0.01 1 81 106 7 CYS HA H 4.951 0.01 1 82 106 7 CYS HB2 H 3.611 0.01 2 83 106 7 CYS HB3 H 3.441 0.01 2 84 106 7 CYS C C 171.12 0.1 1 85 106 7 CYS CA C 53.907 0.1 1 86 106 7 CYS CB C 40.639 0.1 1 87 106 7 CYS N N 118.604 0.1 1 88 107 8 THR H H 8.400 0.01 1 89 107 8 THR HA H 5.500 0.01 1 90 107 8 THR HB H 3.954 0.01 1 91 107 8 THR HG2 H 1.161 0.01 1 92 107 8 THR C C 173.592 0.1 1 93 107 8 THR CA C 60.161 0.1 1 94 107 8 THR CB C 71.879 0.1 1 95 107 8 THR CG2 C 20.98 0.1 1 96 107 8 THR N N 113.541 0.1 1 97 108 9 GLY H H 8.817 0.01 1 98 108 9 GLY HA2 H 4.115 0.01 1 99 108 9 GLY HA3 H 4.115 0.01 1 100 108 9 GLY C C 171.694 0.1 1 101 108 9 GLY CA C 45.448 0.1 1 102 108 9 GLY N N 110.549 0.1 1 103 109 10 PHE H H 8.924 0.01 1 104 109 10 PHE HA H 5.124 0.01 1 105 109 10 PHE HB2 H 2.960 0.01 1 106 109 10 PHE HB3 H 2.960 0.01 1 107 109 10 PHE HD1 H 7.281 0.01 1 108 109 10 PHE HD2 H 7.281 0.01 1 109 109 10 PHE HE1 H 7.380 0.01 1 110 109 10 PHE HE2 H 7.380 0.01 1 111 109 10 PHE HZ H 7.318 0.01 1 112 109 10 PHE C C 177.225 0.1 1 113 109 10 PHE CA C 58.438 0.1 1 114 109 10 PHE CB C 38.408 0.1 1 115 109 10 PHE CD1 C 132.02 0.1 1 116 109 10 PHE CE1 C 131.616 0.1 1 117 109 10 PHE CZ C 129.718 0.1 1 118 109 10 PHE N N 120.830 0.1 1 119 110 11 GLY H H 9.442 0.01 1 120 110 11 GLY HA2 H 4.430 0.01 2 121 110 11 GLY HA3 H 3.580 0.01 2 122 110 11 GLY C C 172.546 0.1 1 123 110 11 GLY CA C 45.708 0.1 1 124 110 11 GLY N N 113.069 0.1 1 125 111 12 GLY H H 7.095 0.01 1 126 111 12 GLY HA2 H 4.433 0.01 2 127 111 12 GLY HA3 H 3.550 0.01 2 128 111 12 GLY C C 171.664 0.1 1 129 111 12 GLY CA C 44.256 0.1 1 130 111 12 GLY N N 106.335 0.1 1 131 112 13 CYS H H 8.477 0.01 1 132 112 13 CYS HA H 4.756 0.01 1 133 112 13 CYS HB2 H 3.588 0.01 2 134 112 13 CYS HB3 H 3.205 0.01 2 135 112 13 CYS C C 171.027 0.1 1 136 112 13 CYS CA C 56.123 0.1 1 137 112 13 CYS CB C 41.79 0.1 1 138 112 13 CYS N N 111.804 0.1 1 139 113 14 SER H H 8.693 0.01 1 140 113 14 SER HA H 4.603 0.01 1 141 113 14 SER HB2 H 3.784 0.01 2 142 113 14 SER HB3 H 3.674 0.01 2 143 113 14 SER C C 174.536 0.1 1 144 113 14 SER CA C 56.493 0.1 1 145 113 14 SER CB C 65.16 0.1 1 146 113 14 SER N N 116.083 0.1 1 147 114 15 HIS H H 11.587 0.01 1 148 114 15 HIS HA H 4.568 0.01 1 149 114 15 HIS HB2 H 3.861 0.01 2 150 114 15 HIS HB3 H 3.241 0.01 2 151 114 15 HIS HD2 H 7.306 0.01 1 152 114 15 HIS C C 172.515 0.1 1 153 114 15 HIS CA C 56.887 0.1 1 154 114 15 HIS CB C 27.276 0.1 1 155 114 15 HIS CD2 C 120.12 0.1 1 156 114 15 HIS CE1 C 131.356 0.1 1 157 114 15 HIS N N 126.668 0.1 1 158 115 16 GLY H H 9.361 0.01 1 159 115 16 GLY HA2 H 3.344 0.01 1 160 115 16 GLY HA3 H 3.344 0.01 1 161 115 16 GLY C C 173.018 0.1 1 162 115 16 GLY CA C 46.457 0.1 1 163 115 16 GLY N N 119.128 0.1 1 164 116 17 SER H H 8.151 0.01 1 165 116 17 SER HA H 4.451 0.01 1 166 116 17 SER HB2 H 3.628 0.01 2 167 116 17 SER HB3 H 3.559 0.01 2 168 116 17 SER C C 171.848 0.1 1 169 116 17 SER CA C 57.256 0.1 1 170 116 17 SER CB C 64.697 0.1 1 171 116 17 SER N N 118.656 0.1 1 172 117 18 ARG H H 7.629 0.01 1 173 117 18 ARG HA H 2.954 0.01 1 174 117 18 ARG HB2 H 1.150 0.01 2 175 117 18 ARG HB3 H 0.802 0.01 2 176 117 18 ARG HG2 H 1.133 0.01 2 177 117 18 ARG HG3 H 0.700 0.01 2 178 117 18 ARG HD2 H 2.977 0.01 2 179 117 18 ARG HD3 H 3.026 0.01 2 180 117 18 ARG HE H 7.041 0.01 1 181 117 18 ARG C C 176.671 0.1 1 182 117 18 ARG CA C 56.755 0.1 1 183 117 18 ARG CB C 30.117 0.1 1 184 117 18 ARG CG C 26.211 0.1 1 185 117 18 ARG CD C 43.37 0.1 1 186 117 18 ARG N N 124.682 0.1 1 187 117 18 ARG NE N 84.839 0.1 1 188 118 19 CYS H H 7.852 0.01 1 189 118 19 CYS HA H 4.874 0.01 1 190 118 19 CYS HB2 H 3.184 0.01 2 191 118 19 CYS HB3 H 3.387 0.01 2 192 118 19 CYS C C 174.577 0.1 1 193 118 19 CYS CA C 52.996 0.1 1 194 118 19 CYS CB C 39.297 0.1 1 195 118 19 CYS N N 122.932 0.1 1 196 119 20 LEU H H 7.980 0.01 1 197 119 20 LEU HA H 4.301 0.01 1 198 119 20 LEU HB2 H 1.762 0.01 2 199 119 20 LEU HB3 H 1.671 0.01 2 200 119 20 LEU HG H 1.762 0.01 1 201 119 20 LEU HD1 H 0.905 0.01 2 202 119 20 LEU HD2 H 0.957 0.01 2 203 119 20 LEU C C 178.394 0.1 1 204 119 20 LEU CA C 55.216 0.1 1 205 119 20 LEU CB C 41.691 0.1 1 206 119 20 LEU CG C 26.728 0.1 1 207 119 20 LEU CD1 C 22.452 0.1 1 208 119 20 LEU CD2 C 24.769 0.1 1 209 119 20 LEU N N 120.027 0.1 1 210 120 21 ARG H H 8.523 0.01 1 211 120 21 ARG HA H 4.038 0.01 1 212 120 21 ARG HB2 H 1.894 0.01 2 213 120 21 ARG HB3 H 1.827 0.01 2 214 120 21 ARG HG2 H 1.662 0.01 1 215 120 21 ARG HG3 H 1.662 0.01 1 216 120 21 ARG HD2 H 3.222 0.01 1 217 120 21 ARG HD3 H 3.222 0.01 1 218 120 21 ARG HE H 7.252 0.01 1 219 120 21 ARG C C 175.624 0.1 1 220 120 21 ARG CA C 58.416 0.1 1 221 120 21 ARG CB C 29.988 0.1 1 222 120 21 ARG CG C 26.291 0.1 1 223 120 21 ARG CD C 43.092 0.1 1 224 120 21 ARG N N 120.159 0.1 1 225 120 21 ARG NE N 84.756 0.1 1 226 121 22 ASP H H 8.252 0.01 1 227 121 22 ASP HA H 4.530 0.01 1 228 121 22 ASP HB2 H 2.743 0.01 2 229 121 22 ASP HB3 H 2.688 0.01 2 230 121 22 ASP C C 175.593 0.1 1 231 121 22 ASP CA C 54.424 0.1 1 232 121 22 ASP CB C 40.034 0.1 1 233 121 22 ASP N N 115.199 0.1 1 234 122 23 SER H H 7.612 0.01 1 235 122 23 SER HA H 4.124 0.01 1 236 122 23 SER HB2 H 3.864 0.01 2 237 122 23 SER HB3 H 3.750 0.01 2 238 122 23 SER C C 173.264 0.1 1 239 122 23 SER CA C 60.703 0.1 1 240 122 23 SER CB C 62.879 0.1 1 241 122 23 SER N N 114.383 0.1 1 242 123 24 THR H H 8.413 0.01 1 243 123 24 THR HA H 4.519 0.01 1 244 123 24 THR HB H 4.365 0.01 1 245 123 24 THR HG2 H 1.333 0.01 1 246 123 24 THR C C 173.356 0.1 1 247 123 24 THR CA C 61.888 0.1 1 248 123 24 THR CB C 70.83 0.1 1 249 123 24 THR CG2 C 20.644 0.1 1 250 123 24 THR N N 111.852 0.1 1 251 124 25 HIS H H 8.630 0.01 1 252 124 25 HIS HA H 5.156 0.01 1 253 124 25 HIS HB2 H 2.658 0.01 2 254 124 25 HIS HB3 H 2.998 0.01 2 255 124 25 HIS HD2 H 6.736 0.01 1 256 124 25 HIS C C 174.177 0.1 1 257 124 25 HIS CA C 56 0.1 1 258 124 25 HIS CB C 34.744 0.1 1 259 124 25 HIS CD2 C 117.137 0.1 1 260 124 25 HIS N N 120.615 0.1 1 261 125 26 CYS H H 9.102 0.01 1 262 125 26 CYS HA H 5.716 0.01 1 263 125 26 CYS HB2 H 3.131 0.01 1 264 125 26 CYS HB3 H 3.131 0.01 1 265 125 26 CYS C C 174.906 0.1 1 266 125 26 CYS CA C 52.172 0.1 1 267 125 26 CYS CB C 36.484 0.1 1 268 125 26 CYS N N 115.755 0.1 1 269 126 27 VAL H H 9.077 0.01 1 270 126 27 VAL HA H 5.199 0.01 1 271 126 27 VAL HB H 1.946 0.01 1 272 126 27 VAL HG1 H 0.891 0.01 2 273 126 27 VAL HG2 H 0.928 0.01 2 274 126 27 VAL C C 176.004 0.1 1 275 126 27 VAL CA C 60.555 0.1 1 276 126 27 VAL CB C 35.605 0.1 1 277 126 27 VAL CG1 C 21.759 0.1 1 278 126 27 VAL CG2 C 22.751 0.1 1 279 126 27 VAL N N 121.353 0.1 1 280 127 28 THR H H 9.031 0.01 1 281 127 28 THR HA H 5.192 0.01 1 282 127 28 THR HB H 3.940 0.01 1 283 127 28 THR HG2 H 1.151 0.01 1 284 127 28 THR C C 173.51 0.1 1 285 127 28 THR CA C 61.909 0.1 1 286 127 28 THR CB C 71.018 0.1 1 287 127 28 THR CG2 C 22.47 0.1 1 288 127 28 THR N N 125.497 0.1 1 289 128 29 THR H H 9.625 0.01 1 290 128 29 THR HA H 5.500 0.01 1 291 128 29 THR HB H 4.007 0.01 1 292 128 29 THR HG2 H 0.992 0.01 1 293 128 29 THR C C 172.228 0.1 1 294 128 29 THR CA C 59.004 0.1 1 295 128 29 THR CB C 70.306 0.1 1 296 128 29 THR CG2 C 21.249 0.1 1 297 128 29 THR N N 121.196 0.1 1 298 129 30 ALA H H 8.539 0.01 1 299 129 30 ALA HA H 5.500 0.01 1 300 129 30 ALA HB H 1.307 0.01 1 301 129 30 ALA C C 176.424 0.1 1 302 129 30 ALA CA C 50.495 0.1 1 303 129 30 ALA CB C 21.348 0.1 1 304 129 30 ALA N N 124.169 0.1 1 305 130 31 THR H H 8.636 0.01 1 306 130 31 THR HA H 4.890 0.01 1 307 130 31 THR HB H 4.226 0.01 1 308 130 31 THR HG2 H 1.294 0.01 1 309 130 31 THR C C 172.854 0.1 1 310 130 31 THR CA C 60.678 0.1 1 311 130 31 THR CB C 70.352 0.1 1 312 130 31 THR CG2 C 21.18 0.1 1 313 130 31 THR N N 116.687 0.1 1 314 131 32 ARG H H 8.540 0.01 1 315 131 32 ARG HA H 4.650 0.01 1 316 131 32 ARG HB2 H 1.915 0.01 2 317 131 32 ARG HB3 H 1.757 0.01 2 318 131 32 ARG HG2 H 1.568 0.01 2 319 131 32 ARG HG3 H 1.681 0.01 2 320 131 32 ARG HD2 H 3.164 0.01 1 321 131 32 ARG HD3 H 3.164 0.01 1 322 131 32 ARG HE H 7.290 0.01 1 323 131 32 ARG C C 175.603 0.1 1 324 131 32 ARG CA C 55.458 0.1 1 325 131 32 ARG CB C 30.755 0.1 1 326 131 32 ARG CG C 27.151 0.1 1 327 131 32 ARG CD C 43.073 0.1 1 328 131 32 ARG N N 124.260 0.1 1 329 131 32 ARG NE N 84.568 0.1 1 330 132 33 VAL H H 8.430 0.01 1 331 132 33 VAL HA H 4.232 0.01 1 332 132 33 VAL HB H 2.198 0.01 1 333 132 33 VAL HG1 H 1.015 0.01 2 334 132 33 VAL HG2 H 0.995 0.01 2 335 132 33 VAL C C 175.727 0.1 1 336 132 33 VAL CA C 61.835 0.1 1 337 132 33 VAL CB C 32.636 0.1 1 338 132 33 VAL CG1 C 20.324 0.1 1 339 132 33 VAL CG2 C 21.232 0.1 1 340 132 33 VAL N N 121.349 0.1 1 341 133 34 LEU H H 8.246 0.01 1 342 133 34 LEU HA H 4.452 0.01 1 343 133 34 LEU HB2 H 1.674 0.01 1 344 133 34 LEU HB3 H 1.674 0.01 1 345 133 34 LEU HG H 1.650 0.01 1 346 133 34 LEU HD1 H 0.858 0.01 2 347 133 34 LEU HD2 H 0.907 0.01 2 348 133 34 LEU C C 176.753 0.1 1 349 133 34 LEU CA C 54.748 0.1 1 350 133 34 LEU CB C 41.873 0.1 1 351 133 34 LEU CG C 26.75 0.1 1 352 133 34 LEU CD1 C 23.07 0.1 1 353 133 34 LEU CD2 C 24.676 0.1 1 354 133 34 LEU N N 124.364 0.1 1 355 134 35 SER H H 8.078 0.01 1 356 134 35 SER HA H 4.490 0.01 1 357 134 35 SER HB2 H 3.947 0.01 2 358 134 35 SER HB3 H 3.830 0.01 2 359 134 35 SER C C 173.9 0.1 1 360 134 35 SER CA C 57.97 0.1 1 361 134 35 SER CB C 63.375 0.1 1 362 134 35 SER N N 114.791 0.1 1 363 135 36 ASN H H 8.287 0.01 1 364 135 36 ASN HA H 4.777 0.01 1 365 135 36 ASN HB2 H 2.851 0.01 1 366 135 36 ASN HB3 H 2.851 0.01 1 367 135 36 ASN HD21 H 7.480 0.01 2 368 135 36 ASN HD22 H 6.875 0.01 2 369 135 36 ASN C C 175.337 0.1 1 370 135 36 ASN CA C 53.07 0.1 1 371 135 36 ASN CB C 38.346 0.1 1 372 135 36 ASN N N 119.634 0.1 1 373 135 36 ASN ND2 N 112.331 0.1 1 374 136 37 THR H H 8.085 0.01 1 375 136 37 THR HA H 4.311 0.01 1 376 136 37 THR HB H 4.310 0.01 1 377 136 37 THR HG2 H 1.204 0.01 1 378 136 37 THR C C 174.28 0.1 1 379 136 37 THR CA C 62.131 0.1 1 380 136 37 THR CB C 69.106 0.1 1 381 136 37 THR CG2 C 21.384 0.1 1 382 136 37 THR N N 112.097 0.1 1 383 137 38 GLU H H 8.035 0.01 1 384 137 38 GLU HA H 4.364 0.01 1 385 137 38 GLU HB2 H 2.108 0.01 2 386 137 38 GLU HB3 H 1.887 0.01 2 387 137 38 GLU HG2 H 2.228 0.01 1 388 137 38 GLU HG3 H 2.228 0.01 1 389 137 38 GLU C C 175.296 0.1 1 390 137 38 GLU CA C 55.754 0.1 1 391 137 38 GLU CB C 29.189 0.1 1 392 137 38 GLU CG C 34.527 0.1 1 393 137 38 GLU N N 120.207 0.1 1 394 138 39 ASP H H 8.097 0.01 1 395 138 39 ASP HA H 4.605 0.01 1 396 138 39 ASP HB2 H 2.830 0.01 2 397 138 39 ASP HB3 H 2.658 0.01 2 398 138 39 ASP C C 174.978 0.1 1 399 138 39 ASP CA C 53.88 0.1 1 400 138 39 ASP CB C 40.235 0.1 1 401 138 39 ASP N N 119.742 0.1 1 402 139 40 LEU H H 8.021 0.01 1 403 139 40 LEU HA H 4.777 0.01 1 404 139 40 LEU HB2 H 1.342 0.01 2 405 139 40 LEU HB3 H 1.676 0.01 2 406 139 40 LEU HG H 1.727 0.01 1 407 139 40 LEU HD1 H 0.915 0.01 2 408 139 40 LEU HD2 H 0.963 0.01 2 409 139 40 LEU CA C 52.011 0.1 1 410 139 40 LEU CB C 42.693 0.1 1 411 139 40 LEU CG C 26.588 0.1 1 412 139 40 LEU CD1 C 25.238 0.1 1 413 139 40 LEU CD2 C 22.827 0.1 1 414 139 40 LEU N N 121.008 0.1 1 415 140 41 PRO HA H 4.634 0.01 1 416 140 41 PRO HB2 H 2.170 0.01 2 417 140 41 PRO HB3 H 1.717 0.01 2 418 140 41 PRO HG2 H 2.052 0.01 2 419 140 41 PRO HG3 H 1.998 0.01 2 420 140 41 PRO HD2 H 3.698 0.01 2 421 140 41 PRO HD3 H 3.878 0.01 2 422 140 41 PRO C C 175.419 0.1 1 423 140 41 PRO CA C 62.063 0.1 1 424 140 41 PRO CB C 31.89 0.1 1 425 140 41 PRO CG C 26.61 0.1 1 426 140 41 PRO CD C 50.211 0.1 1 427 141 42 LEU H H 8.569 0.01 1 428 141 42 LEU HA H 4.176 0.01 1 429 141 42 LEU HB2 H 1.302 0.01 2 430 141 42 LEU HB3 H 1.834 0.01 2 431 141 42 LEU HG H 1.165 0.01 1 432 141 42 LEU HD1 H 0.669 0.01 2 433 141 42 LEU HD2 H 0.264 0.01 2 434 141 42 LEU C C 175.87 0.1 1 435 141 42 LEU CA C 55.19 0.1 1 436 141 42 LEU CB C 41.678 0.1 1 437 141 42 LEU CG C 26.829 0.1 1 438 141 42 LEU CD1 C 24.871 0.1 1 439 141 42 LEU CD2 C 22.178 0.1 1 440 141 42 LEU N N 123.715 0.1 1 441 142 43 VAL H H 9.005 0.01 1 442 142 43 VAL HA H 5.150 0.01 1 443 142 43 VAL HB H 1.813 0.01 1 444 142 43 VAL HG1 H 0.889 0.01 2 445 142 43 VAL HG2 H 0.812 0.01 2 446 142 43 VAL C C 174.198 0.1 1 447 142 43 VAL CA C 60.583 0.1 1 448 142 43 VAL CB C 33.23 0.1 1 449 142 43 VAL CG1 C 21.588 0.1 1 450 142 43 VAL CG2 C 20.641 0.1 1 451 142 43 VAL N N 131.573 0.1 1 452 143 44 THR H H 8.744 0.01 1 453 143 44 THR HA H 4.967 0.01 1 454 143 44 THR HB H 3.993 0.01 1 455 143 44 THR HG2 H 1.158 0.01 1 456 143 44 THR C C 172.546 0.1 1 457 143 44 THR CA C 61.343 0.1 1 458 143 44 THR CB C 69.917 0.1 1 459 143 44 THR CG2 C 21.046 0.1 1 460 143 44 THR N N 121.430 0.1 1 461 144 45 LYS H H 9.397 0.01 1 462 144 45 LYS HA H 5.589 0.01 1 463 144 45 LYS HB2 H 1.834 0.01 2 464 144 45 LYS HB3 H 1.897 0.01 2 465 144 45 LYS HG2 H 1.299 0.01 2 466 144 45 LYS HG3 H 1.660 0.01 2 467 144 45 LYS HD2 H 1.492 0.01 2 468 144 45 LYS HD3 H 1.902 0.01 2 469 144 45 LYS HE2 H 2.879 0.01 1 470 144 45 LYS HE3 H 2.879 0.01 1 471 144 45 LYS C C 175.839 0.1 1 472 144 45 LYS CA C 54.667 0.1 1 473 144 45 LYS CB C 35.577 0.1 1 474 144 45 LYS CG C 25.966 0.1 1 475 144 45 LYS CD C 30.658 0.1 1 476 144 45 LYS N N 126.310 0.1 1 477 145 46 MET H H 8.729 0.01 1 478 145 46 MET HA H 5.058 0.01 1 479 145 46 MET HB2 H 2.333 0.01 1 480 145 46 MET HB3 H 2.333 0.01 1 481 145 46 MET HG2 H 2.406 0.01 1 482 145 46 MET HG3 H 2.406 0.01 1 483 145 46 MET HE H 1.938 0.01 1 484 145 46 MET C C 174.454 0.1 1 485 145 46 MET CA C 54.843 0.1 1 486 145 46 MET CB C 35.827 0.1 1 487 145 46 MET CG C 31.166 0.1 1 488 145 46 MET CE C 17.613 0.1 1 489 145 46 MET N N 117.942 0.1 1 490 146 47 CYS H H 8.642 0.01 1 491 146 47 CYS HA H 5.508 0.01 1 492 146 47 CYS HB2 H 3.460 0.01 2 493 146 47 CYS HB3 H 3.053 0.01 2 494 146 47 CYS C C 175.029 0.1 1 495 146 47 CYS CA C 56.669 0.1 1 496 146 47 CYS CB C 46.298 0.1 1 497 146 47 CYS N N 119.031 0.1 1 498 147 48 HIS H H 9.423 0.01 1 499 147 48 HIS HA H 4.643 0.01 1 500 147 48 HIS HB2 H 2.818 0.01 2 501 147 48 HIS HB3 H 3.471 0.01 2 502 147 48 HIS HD2 H 7.370 0.01 1 503 147 48 HIS C C 173.223 0.1 1 504 147 48 HIS CA C 57.601 0.1 1 505 147 48 HIS CB C 33.82 0.1 1 506 147 48 HIS CD2 C 121.751 0.1 1 507 147 48 HIS N N 120.858 0.1 1 508 148 49 ILE H H 8.374 0.01 1 509 148 49 ILE HA H 4.370 0.01 1 510 148 49 ILE HB H 1.718 0.01 1 511 148 49 ILE HG12 H 1.515 0.01 2 512 148 49 ILE HG13 H 0.955 0.01 2 513 148 49 ILE HG2 H 0.912 0.01 1 514 148 49 ILE HD1 H 0.846 0.01 1 515 148 49 ILE CA C 62.538 0.1 1 516 148 49 ILE CB C 36.096 0.1 1 517 148 49 ILE CG1 C 26.918 0.1 1 518 148 49 ILE CG2 C 17.029 0.1 1 519 148 49 ILE CD1 C 13.547 0.1 1 520 148 49 ILE N N 125.370 0.1 1 521 149 50 GLY H H 8.367 0.01 1 522 149 50 GLY HA2 H 4.128 0.01 2 523 149 50 GLY HA3 H 3.384 0.01 2 524 149 50 GLY C C 170.853 0.1 1 525 149 50 GLY CA C 43.541 0.1 1 526 149 50 GLY N N 118.093 0.1 1 527 150 51 CYS H H 8.187 0.01 1 528 150 51 CYS HA H 4.818 0.01 1 529 150 51 CYS HB2 H 2.248 0.01 2 530 150 51 CYS HB3 H 2.816 0.01 2 531 150 51 CYS CA C 50.265 0.1 1 532 150 51 CYS CB C 38.752 0.1 1 533 150 51 CYS N N 118.529 0.1 1 534 151 52 PRO HA H 4.344 0.01 1 535 151 52 PRO HB2 H 1.633 0.01 2 536 151 52 PRO HB3 H 1.742 0.01 2 537 151 52 PRO HG2 H 0.997 0.01 2 538 151 52 PRO HG3 H 1.654 0.01 2 539 151 52 PRO HD2 H 3.244 0.01 2 540 151 52 PRO HD3 H 3.431 0.01 2 541 151 52 PRO CA C 62.428 0.1 1 542 151 52 PRO CB C 31.672 0.1 1 543 151 52 PRO CG C 25.999 0.1 1 544 151 52 PRO CD C 49.992 0.1 1 545 152 53 ASP H H 7.668 0.01 1 546 152 53 ASP HA H 4.640 0.01 1 547 152 53 ASP HB2 H 2.696 0.01 2 548 152 53 ASP HB3 H 2.856 0.01 2 549 152 53 ASP C C 175.624 0.1 1 550 152 53 ASP CA C 51.41 0.1 1 551 152 53 ASP CB C 41.691 0.1 1 552 152 53 ASP N N 117.148 0.1 1 553 153 54 ILE H H 8.327 0.01 1 554 153 54 ILE HA H 3.913 0.01 1 555 153 54 ILE HB H 1.997 0.01 1 556 153 54 ILE HG12 H 1.112 0.01 2 557 153 54 ILE HG13 H 1.674 0.01 2 558 153 54 ILE HG2 H 0.855 0.01 1 559 153 54 ILE HD1 H 0.959 0.01 1 560 153 54 ILE CA C 64.996 0.1 1 561 153 54 ILE CB C 35.994 0.1 1 562 153 54 ILE CG1 C 29.142 0.1 1 563 153 54 ILE CG2 C 17.257 0.1 1 564 153 54 ILE CD1 C 12.686 0.1 1 565 153 54 ILE N N 119.719 0.1 1 566 154 55 PRO HA H 4.364 0.01 1 567 154 55 PRO HB2 H 2.333 0.01 2 568 154 55 PRO HB3 H 1.895 0.01 2 569 154 55 PRO HG2 H 2.111 0.01 2 570 154 55 PRO HG3 H 1.940 0.01 2 571 154 55 PRO HD2 H 3.735 0.01 1 572 154 55 PRO HD3 H 3.735 0.01 1 573 154 55 PRO C C 178.333 0.1 1 574 154 55 PRO CA C 65.003 0.1 1 575 154 55 PRO CB C 30.777 0.1 1 576 154 55 PRO CG C 27.579 0.1 1 577 154 55 PRO CD C 49.685 0.1 1 578 155 56 SER H H 7.883 0.01 1 579 155 56 SER HA H 4.303 0.01 1 580 155 56 SER HB2 H 3.999 0.01 1 581 155 56 SER HB3 H 3.999 0.01 1 582 155 56 SER C C 175.45 0.1 1 583 155 56 SER CA C 60.312 0.1 1 584 155 56 SER CB C 62.816 0.1 1 585 155 56 SER N N 112.667 0.1 1 586 156 57 LEU H H 7.770 0.01 1 587 156 57 LEU HA H 4.305 0.01 1 588 156 57 LEU HB2 H 1.813 0.01 2 589 156 57 LEU HB3 H 1.597 0.01 2 590 156 57 LEU HG H 1.716 0.01 1 591 156 57 LEU HD1 H 0.779 0.01 2 592 156 57 LEU HD2 H 0.770 0.01 2 593 156 57 LEU C C 177.974 0.1 1 594 156 57 LEU CA C 55.516 0.1 1 595 156 57 LEU CB C 42.08 0.1 1 596 156 57 LEU CG C 26.217 0.1 1 597 156 57 LEU CD1 C 25.626 0.1 1 598 156 57 LEU CD2 C 22.935 0.1 1 599 156 57 LEU N N 120.903 0.1 1 600 157 58 GLY H H 7.666 0.01 1 601 157 58 GLY HA2 H 3.962 0.01 1 602 157 58 GLY HA3 H 3.962 0.01 1 603 157 58 GLY C C 174.321 0.1 1 604 157 58 GLY CA C 46.187 0.1 1 605 157 58 GLY N N 105.004 0.1 1 606 158 59 LEU H H 8.203 0.01 1 607 158 59 LEU HA H 4.532 0.01 1 608 158 59 LEU HB2 H 1.706 0.01 2 609 158 59 LEU HB3 H 1.621 0.01 2 610 158 59 LEU HG H 1.547 0.01 1 611 158 59 LEU HD1 H 0.859 0.01 2 612 158 59 LEU HD2 H 0.882 0.01 2 613 158 59 LEU C C 176.712 0.1 1 614 158 59 LEU CA C 53.76 0.1 1 615 158 59 LEU CB C 42.761 0.1 1 616 158 59 LEU CG C 26.164 0.1 1 617 158 59 LEU CD1 C 22.114 0.1 1 618 158 59 LEU CD2 C 25.309 0.1 1 619 158 59 LEU N N 119.534 0.1 1 620 159 60 GLY H H 8.055 0.01 1 621 159 60 GLY HA2 H 4.266 0.01 2 622 159 60 GLY HA3 H 3.869 0.01 2 623 159 60 GLY CA C 44.416 0.1 1 624 159 60 GLY N N 108.700 0.1 1 625 160 61 PRO HA H 4.376 0.01 1 626 160 61 PRO HB2 H 1.452 0.01 2 627 160 61 PRO HB3 H 2.038 0.01 2 628 160 61 PRO HG2 H 1.797 0.01 2 629 160 61 PRO HG3 H 1.225 0.01 2 630 160 61 PRO HD2 H 3.472 0.01 1 631 160 61 PRO HD3 H 3.472 0.01 1 632 160 61 PRO C C 177.112 0.1 1 633 160 61 PRO CA C 63.311 0.1 1 634 160 61 PRO CB C 31.562 0.1 1 635 160 61 PRO CG C 25.855 0.1 1 636 160 61 PRO CD C 48.946 0.1 1 637 161 62 TYR H H 8.130 0.01 1 638 161 62 TYR HA H 4.818 0.01 1 639 161 62 TYR HB2 H 3.241 0.01 2 640 161 62 TYR HB3 H 2.980 0.01 2 641 161 62 TYR HD1 H 7.140 0.01 1 642 161 62 TYR HD2 H 7.140 0.01 1 643 161 62 TYR HE1 H 6.858 0.01 1 644 161 62 TYR HE2 H 6.858 0.01 1 645 161 62 TYR CA C 56.419 0.1 1 646 161 62 TYR CB C 36.961 0.1 1 647 161 62 TYR CD2 C 132.923 0.1 1 648 161 62 TYR CE2 C 118.345 0.1 1 649 161 62 TYR N N 119.287 0.1 1 650 162 63 VAL HA H 4.733 0.01 1 651 162 63 VAL HB H 1.899 0.01 1 652 162 63 VAL HG1 H 0.866 0.01 1 653 162 63 VAL HG2 H 0.866 0.01 1 654 162 63 VAL CA C 60.346 0.1 1 655 162 63 VAL CB C 38.408 0.1 1 656 162 63 VAL CG1 C 20.947 0.1 1 657 162 63 VAL CG2 C 12.755 0.1 1 658 163 64 SER H H 8.641 0.01 1 659 163 64 SER HA H 4.788 0.01 1 660 163 64 SER HB2 H 3.866 0.01 1 661 163 64 SER HB3 H 3.866 0.01 1 662 163 64 SER C C 173.141 0.1 1 663 163 64 SER CA C 56.672 0.1 1 664 163 64 SER CB C 64.65 0.1 1 665 163 64 SER N N 119.428 0.1 1 666 164 65 ILE H H 8.496 0.01 1 667 164 65 ILE HA H 4.746 0.01 1 668 164 65 ILE HB H 1.563 0.01 1 669 164 65 ILE HG12 H 1.420 0.01 2 670 164 65 ILE HG13 H 0.755 0.01 2 671 164 65 ILE HG2 H 0.749 0.01 1 672 164 65 ILE HD1 H 0.644 0.01 1 673 164 65 ILE CA C 60.629 0.1 1 674 164 65 ILE CB C 41.311 0.1 1 675 164 65 ILE CG1 C 27.727 0.1 1 676 164 65 ILE CG2 C 17.002 0.1 1 677 164 65 ILE CD1 C 14.458 0.1 1 678 164 65 ILE N N 123.448 0.1 1 679 165 66 ALA H H 8.941 0.01 1 680 165 66 ALA HA H 4.870 0.01 1 681 165 66 ALA HB H 1.395 0.01 1 682 165 66 ALA C C 176.219 0.1 1 683 165 66 ALA CA C 50.78 0.1 1 684 165 66 ALA CB C 21.348 0.1 1 685 165 66 ALA N N 129.783 0.1 1 686 166 67 CYS H H 9.049 0.01 1 687 166 67 CYS HA H 5.552 0.01 1 688 166 67 CYS HB2 H 3.113 0.01 2 689 166 67 CYS HB3 H 3.720 0.01 2 690 166 67 CYS C C 172.289 0.1 1 691 166 67 CYS CA C 53.119 0.1 1 692 166 67 CYS CB C 48.826 0.1 1 693 166 67 CYS N N 119.842 0.1 1 694 167 68 CYS H H 9.297 0.01 1 695 167 68 CYS HA H 5.236 0.01 1 696 167 68 CYS HB2 H 3.611 0.01 2 697 167 68 CYS HB3 H 3.554 0.01 2 698 167 68 CYS C C 173.562 0.1 1 699 167 68 CYS CA C 55.141 0.1 1 700 167 68 CYS CB C 45.463 0.1 1 701 167 68 CYS N N 118.569 0.1 1 702 168 69 GLN H H 9.105 0.01 1 703 168 69 GLN HA H 4.830 0.01 1 704 168 69 GLN HB2 H 2.229 0.01 2 705 168 69 GLN HB3 H 1.853 0.01 2 706 168 69 GLN HG2 H 1.937 0.01 1 707 168 69 GLN HG3 H 1.937 0.01 1 708 168 69 GLN HE21 H 7.055 0.01 2 709 168 69 GLN HE22 H 6.839 0.01 2 710 168 69 GLN C C 174.362 0.1 1 711 168 69 GLN CA C 55.985 0.1 1 712 168 69 GLN CB C 31.688 0.1 1 713 168 69 GLN CG C 34.882 0.1 1 714 168 69 GLN N N 118.916 0.1 1 715 168 69 GLN NE2 N 110.997 0.1 1 716 169 70 THR H H 7.540 0.01 1 717 169 70 THR HA H 4.813 0.01 1 718 169 70 THR HB H 4.340 0.01 1 719 169 70 THR HG2 H 1.261 0.01 1 720 169 70 THR C C 173.859 0.1 1 721 169 70 THR CA C 60.038 0.1 1 722 169 70 THR CB C 71.377 0.1 1 723 169 70 THR CG2 C 21.761 0.1 1 724 169 70 THR N N 110.926 0.1 1 725 170 71 SER H H 8.814 0.01 1 726 170 71 SER HA H 4.850 0.01 1 727 170 71 SER HB2 H 3.943 0.01 2 728 170 71 SER HB3 H 3.780 0.01 2 729 170 71 SER C C 175.757 0.1 1 730 170 71 SER CA C 60.987 0.1 1 731 170 71 SER CB C 63.104 0.1 1 732 170 71 SER N N 117.386 0.1 1 733 171 72 LEU H H 9.570 0.01 1 734 171 72 LEU HA H 3.660 0.01 1 735 171 72 LEU HB2 H 2.116 0.01 2 736 171 72 LEU HB3 H 1.780 0.01 2 737 171 72 LEU HG H 1.372 0.01 1 738 171 72 LEU HD1 H 0.772 0.01 2 739 171 72 LEU HD2 H 0.334 0.01 2 740 171 72 LEU C C 176.055 0.1 1 741 171 72 LEU CA C 56.025 0.1 1 742 171 72 LEU CB C 37.288 0.1 1 743 171 72 LEU CG C 26.274 0.1 1 744 171 72 LEU CD1 C 24.866 0.1 1 745 171 72 LEU CD2 C 22.361 0.1 1 746 171 72 LEU N N 116.724 0.1 1 747 172 73 CYS H H 8.221 0.01 1 748 172 73 CYS HA H 4.614 0.01 1 749 172 73 CYS HB2 H 3.393 0.01 2 750 172 73 CYS HB3 H 4.005 0.01 2 751 172 73 CYS C C 174.424 0.1 1 752 172 73 CYS CA C 57.81 0.1 1 753 172 73 CYS CB C 45.571 0.1 1 754 172 73 CYS N N 113.842 0.1 1 755 173 74 ASN H H 8.458 0.01 1 756 173 74 ASN HA H 4.757 0.01 1 757 173 74 ASN HB2 H 2.439 0.01 2 758 173 74 ASN HB3 H 3.447 0.01 2 759 173 74 ASN HD21 H 6.977 0.01 2 760 173 74 ASN HD22 H 8.056 0.01 2 761 173 74 ASN C C 174.239 0.1 1 762 173 74 ASN CA C 51.765 0.1 1 763 173 74 ASN CB C 35.401 0.1 1 764 173 74 ASN N N 121.019 0.1 1 765 173 74 ASN ND2 N 111.754 0.1 1 766 174 75 HIS H H 7.170 0.01 1 767 174 75 HIS HA H 4.312 0.01 1 768 174 75 HIS HB2 H 3.463 0.01 1 769 174 75 HIS HB3 H 3.463 0.01 1 770 174 75 HIS HD2 H 7.739 0.01 1 771 174 75 HIS C C 173.213 0.1 1 772 174 75 HIS CA C 53.844 0.1 1 773 174 75 HIS CB C 29.11 0.1 1 774 174 75 HIS CD2 C 122.086 0.1 1 775 174 75 HIS N N 115.973 0.1 1 776 175 76 ASP H H 8.791 0.01 1 777 175 76 ASP HA H 4.452 0.01 1 778 175 76 ASP HB2 H 2.898 0.01 2 779 175 76 ASP HB3 H 2.447 0.01 2 780 175 76 ASP CA C 56.506 0.1 1 781 175 76 ASP CB C 41.107 0.1 1 782 175 76 ASP N N 127.281 0.1 1 stop_ save_