data_19687 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; immune signalling subunit ; _BMRB_accession_number 19687 _BMRB_flat_file_name bmr19687.str _Entry_type original _Submission_date 2013-12-15 _Accession_date 2013-12-15 _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 Headey Stephen . . 2 Berry Richard . . 3 Rossjohn Jamie . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 695 "13C chemical shifts" 408 "15N chemical shifts" 144 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-10 original author . stop_ _Original_release_date 2014-02-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'immune signalling subunit' _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 Berry Richard . . 2 Headey Stephen J. . 3 Call Matthew E. . 4 McCluskey James . . 5 Tregaskes Clive . . 6 Kaufman Jim . . 7 Koh Ruide . . 8 Mohanty Biswaranjan . . 9 Scanlon Martin . . 10 Call Melissa . . 11 Rossjohn Jamie . . stop_ _Journal_abbreviation 'Not known' _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 'immune signalling subunit' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'immune signalling subunit' $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 19569.904 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 178 _Mol_residue_sequence ; GSHMGQEEFAVEISGTTVTI TCPSSGDDIKWKPDPALGDN NKYIIQNHDSSPLTVSCTAG DQEHTMYLNAKVGSADDAKK DAAKKDDAKKDDAKKDGSVA KLGVHGLSMSVKEVSGKVFL QCQESKDLNTNYLWKKGKEE LGNMRQLDLGAIYDDPRGTY TCQRDENVNSTLHVHYRM ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 HIS 4 MET 5 GLY 6 GLN 7 GLU 8 GLU 9 PHE 10 ALA 11 VAL 12 GLU 13 ILE 14 SER 15 GLY 16 THR 17 THR 18 VAL 19 THR 20 ILE 21 THR 22 CYS 23 PRO 24 SER 25 SER 26 GLY 27 ASP 28 ASP 29 ILE 30 LYS 31 TRP 32 LYS 33 PRO 34 ASP 35 PRO 36 ALA 37 LEU 38 GLY 39 ASP 40 ASN 41 ASN 42 LYS 43 TYR 44 ILE 45 ILE 46 GLN 47 ASN 48 HIS 49 ASP 50 SER 51 SER 52 PRO 53 LEU 54 THR 55 VAL 56 SER 57 CYS 58 THR 59 ALA 60 GLY 61 ASP 62 GLN 63 GLU 64 HIS 65 THR 66 MET 67 TYR 68 LEU 69 ASN 70 ALA 71 LYS 72 VAL 73 GLY 74 SER 75 ALA 76 ASP 77 ASP 78 ALA 79 LYS 80 LYS 81 ASP 82 ALA 83 ALA 84 LYS 85 LYS 86 ASP 87 ASP 88 ALA 89 LYS 90 LYS 91 ASP 92 ASP 93 ALA 94 LYS 95 LYS 96 ASP 97 GLY 98 SER 99 VAL 100 ALA 101 LYS 102 LEU 103 GLY 104 VAL 105 HIS 106 GLY 107 LEU 108 SER 109 MET 110 SER 111 VAL 112 LYS 113 GLU 114 VAL 115 SER 116 GLY 117 LYS 118 VAL 119 PHE 120 LEU 121 GLN 122 CYS 123 GLN 124 GLU 125 SER 126 LYS 127 ASP 128 LEU 129 ASN 130 THR 131 ASN 132 TYR 133 LEU 134 TRP 135 LYS 136 LYS 137 GLY 138 LYS 139 GLU 140 GLU 141 LEU 142 GLY 143 ASN 144 MET 145 ARG 146 GLN 147 LEU 148 ASP 149 LEU 150 GLY 151 ALA 152 ILE 153 TYR 154 ASP 155 ASP 156 PRO 157 ARG 158 GLY 159 THR 160 TYR 161 THR 162 CYS 163 GLN 164 ARG 165 ASP 166 GLU 167 ASN 168 VAL 169 ASN 170 SER 171 THR 172 LEU 173 HIS 174 VAL 175 HIS 176 TYR 177 ARG 178 MET stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-09 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 PDB 2MIM "Nmr Structure Of The Chicken Cd3 Epsilon Delta/gamma Heterodimer" 100.00 178 100.00 100.00 1.28e-128 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity chicken 9031 Eukaryota Metazoa Gallus gallus 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 $entity 'recombinant technology' . Escherichia coli . pET28b 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 $entity 0.5 mM '[U-98% 13C; U-98% 15N]' HEPES 50 mM 'natural abundance' arginine 125 mM 'natural abundance' glutamate 125 mM 'natural abundance' azide 0.01 % 'natural abundance' 'Roche protease inhibitor' 0.01 % 'natural abundance' EDTA 0.5 mM 'natural abundance' stop_ save_ save_deuterated _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.5 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' HEPES 50 mM 'natural abundance' arginine 125 mM 'natural abundance' glutamate 125 mM 'natural abundance' azide 0.01 % 'natural abundance' 'Roche protease inhibitor' 0.01 % 'natural abundance' EDTA 0.5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_MIPS600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_SYD800 _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_3D_HN(COCA)CB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $deuterated save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $deuterated save_ save_3D_H(CCO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $deuterated save_ save_3D_1H-13C_NOESY_aliphatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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 temperature 293 . K pH 7.6 . pH pressure 1 . atm 'ionic strength' 0.3 . M 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 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 'Stereo-specific assignments were not made.' loop_ _Experiment_label '3D HNCACB' '3D H(CCO)NH' '3D 1H-13C NOESY aliphatic' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $deuterated $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'immune signalling subunit' _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 5 5 GLY HA2 H 3.802 0.02 2 2 5 5 GLY HA3 H 3.802 0.02 2 3 5 5 GLY CA C 45.663 0.2 1 4 6 6 GLN H H 8.143 0.02 1 5 6 6 GLN HA H 4.199 0.02 1 6 6 6 GLN HB2 H 1.789 0.02 2 7 6 6 GLN HB3 H 1.964 0.02 2 8 6 6 GLN HG2 H 2.472 0.02 2 9 6 6 GLN HG3 H 2.13 0.02 2 10 6 6 GLN CA C 55.767 0.2 1 11 6 6 GLN CB C 30.183 0.2 1 12 6 6 GLN CG C 33.979 0.2 1 13 6 6 GLN N N 117.952 0.2 1 14 7 7 GLU H H 8.468 0.02 1 15 7 7 GLU HA H 4.09 0.02 1 16 7 7 GLU HB2 H 1.708 0.02 2 17 7 7 GLU HG3 H 2.038 0.02 2 18 7 7 GLU CA C 57.08 0.2 1 19 7 7 GLU CB C 30.461 0.2 1 20 7 7 GLU CG C 36.628 0.2 1 21 7 7 GLU N N 120.15 0.2 1 22 8 8 GLU H H 7.997 0.02 1 23 8 8 GLU HA H 4.44 0.02 1 24 8 8 GLU HB2 H 1.693 0.02 2 25 8 8 GLU HB3 H 2.539 0.02 2 26 8 8 GLU HG2 H 1.929 0.02 2 27 8 8 GLU HG3 H 2.118 0.02 2 28 8 8 GLU CA C 55.256 0.2 1 29 8 8 GLU CB C 33.805 0.2 1 30 8 8 GLU CG C 36.549 0.2 1 31 8 8 GLU N N 117.498 0.2 1 32 9 9 PHE H H 8.459 0.02 1 33 9 9 PHE HB2 H 2.699 0.02 2 34 9 9 PHE HB3 H 2.881 0.02 2 35 9 9 PHE HD1 H 7.158 0.02 3 36 9 9 PHE HD2 H 7.158 0.02 3 37 9 9 PHE HE1 H 7.007 0.02 3 38 9 9 PHE HE2 H 7.007 0.02 3 39 9 9 PHE CD1 C 133.045 0.2 3 40 9 9 PHE N N 121.043 0.2 1 41 10 10 ALA H H 7.566 0.02 1 42 10 10 ALA HA H 4.602 0.02 1 43 10 10 ALA HB H 1.18 0.02 1 44 10 10 ALA CA C 51.15 0.2 1 45 10 10 ALA CB C 21.3 0.2 1 46 10 10 ALA N N 120.252 0.2 1 47 11 11 VAL H H 8.44 0.02 1 48 11 11 VAL HA H 4.234 0.02 1 49 11 11 VAL HB H 1.098 0.02 1 50 11 11 VAL HG1 H 0.096 0.02 2 51 11 11 VAL HG2 H 0.615 0.02 2 52 11 11 VAL CA C 61.953 0.2 1 53 11 11 VAL CB C 35.067 0.2 1 54 11 11 VAL CG1 C 20.909 0.2 2 55 11 11 VAL CG2 C 17.884 0.2 2 56 11 11 VAL N N 119.476 0.2 1 57 12 12 GLU H H 8.787 0.02 1 58 12 12 GLU HA H 4.548 0.02 1 59 12 12 GLU HB2 H 1.733 0.02 2 60 12 12 GLU HB3 H 1.733 0.02 2 61 12 12 GLU CA C 55.013 0.2 1 62 12 12 GLU CB C 33.523 0.2 1 63 12 12 GLU N N 126.837 0.2 1 64 13 13 ILE H H 8.753 0.02 1 65 13 13 ILE HA H 4.508 0.02 1 66 13 13 ILE HB H 1.455 0.02 1 67 13 13 ILE HG2 H 0.586 0.02 1 68 13 13 ILE HD1 H 0.614 0.02 1 69 13 13 ILE CA C 60.6 0.2 1 70 13 13 ILE CB C 39.9 0.2 1 71 13 13 ILE CG1 C 28.252 0.2 1 72 13 13 ILE CG2 C 18 0.2 1 73 13 13 ILE CD1 C 14.546 0.2 1 74 13 13 ILE N N 124.712 0.2 1 75 14 14 SER H H 8.475 0.02 1 76 14 14 SER HA H 4.607 0.02 1 77 14 14 SER HB2 H 3.601 0.02 2 78 14 14 SER HB3 H 3.472 0.02 2 79 14 14 SER CA C 56.398 0.2 1 80 14 14 SER CB C 63.918 0.2 1 81 14 14 SER N N 121.782 0.2 1 82 15 15 GLY HA2 H 4.041 0.02 2 83 15 15 GLY HA3 H 4.127 0.02 2 84 15 15 GLY CA C 47.494 0.2 1 85 16 16 THR H H 8.636 0.02 1 86 16 16 THR HA H 4.197 0.02 1 87 16 16 THR HB H 4.692 0.02 1 88 16 16 THR HG2 H 0.99 0.02 1 89 16 16 THR CA C 61.6 0.2 1 90 16 16 THR CB C 68.8 0.2 1 91 16 16 THR CG2 C 21.8 0.2 1 92 16 16 THR N N 114.515 0.2 1 93 17 17 THR H H 8.353 0.02 1 94 17 17 THR HA H 5.004 0.02 1 95 17 17 THR HB H 4.139 0.02 1 96 17 17 THR HG2 H 0.862 0.02 1 97 17 17 THR CA C 62.095 0.2 1 98 17 17 THR CB C 70.105 0.2 1 99 17 17 THR CG2 C 22.451 0.2 1 100 17 17 THR N N 118.332 0.2 1 101 18 18 VAL H H 8.843 0.02 1 102 18 18 VAL HA H 4.58 0.02 1 103 18 18 VAL HB H 2.147 0.02 1 104 18 18 VAL HG2 H 0.417 0.02 1 105 18 18 VAL CA C 61.299 0.2 1 106 18 18 VAL CB C 34.365 0.2 1 107 18 18 VAL CG2 C 18.196 0.2 1 108 18 18 VAL N N 127.794 0.2 1 109 19 19 THR H H 8.953 0.02 1 110 19 19 THR HB H 3.78 0.02 1 111 19 19 THR CA C 62.635 0.2 1 112 19 19 THR CB C 69.854 0.2 1 113 19 19 THR CG2 C 21.426 0.2 1 114 19 19 THR N N 121.651 0.2 1 115 20 20 ILE H H 9.426 0.02 1 116 20 20 ILE HA H 4.063 0.02 1 117 20 20 ILE HB H 1.254 0.02 1 118 20 20 ILE HG12 H 1.32 0.02 2 119 20 20 ILE HG13 H 1.32 0.02 2 120 20 20 ILE HG2 H 0.967 0.02 1 121 20 20 ILE HD1 H 0.553 0.02 1 122 20 20 ILE CA C 60.315 0.2 1 123 20 20 ILE CB C 41.2 0.2 1 124 20 20 ILE CG1 C 28.1 0.2 1 125 20 20 ILE CG2 C 19.88 0.2 1 126 20 20 ILE CD1 C 15.254 0.2 1 127 20 20 ILE N N 130.22 0.2 1 128 21 21 THR H H 9.245 0.02 1 129 21 21 THR HA H 5.16 0.02 1 130 21 21 THR HB H 4.257 0.02 1 131 21 21 THR CA C 62.116 0.2 1 132 21 21 THR CB C 70.105 0.2 1 133 21 21 THR N N 121.256 0.2 1 134 22 22 CYS H H 8.93 0.02 1 135 22 22 CYS HB2 H 2.942 0.02 2 136 22 22 CYS HB3 H 3.245 0.02 2 137 22 22 CYS CA C 53.933 0.2 1 138 22 22 CYS CB C 41.093 0.2 1 139 22 22 CYS N N 123.311 0.2 1 140 23 23 PRO HA H 3.67 0.02 1 141 23 23 PRO HB2 H 0.292 0.02 2 142 23 23 PRO HB3 H 1.26 0.02 2 143 23 23 PRO HG3 H 1.788 0.02 2 144 23 23 PRO CA C 64.466 0.2 1 145 23 23 PRO CB C 31.647 0.2 1 146 23 23 PRO CG C 27.533 0.2 1 147 24 24 SER H H 6.307 0.02 1 148 24 24 SER HA H 4.289 0.02 1 149 24 24 SER HB2 H 3.199 0.02 2 150 24 24 SER HB3 H 3.451 0.02 2 151 24 24 SER CA C 58.121 0.2 1 152 24 24 SER CB C 65.762 0.2 1 153 24 24 SER N N 107.893 0.2 1 154 25 25 SER H H 8.121 0.02 1 155 25 25 SER HA H 4.469 0.02 1 156 25 25 SER HB2 H 3.622 0.02 2 157 25 25 SER HB3 H 3.622 0.02 2 158 25 25 SER CA C 57.103 0.2 1 159 25 25 SER CB C 65.185 0.2 1 160 25 25 SER N N 113.836 0.2 1 161 26 26 GLY H H 8.194 0.02 1 162 26 26 GLY HA2 H 4.001 0.02 2 163 26 26 GLY HA3 H 3.739 0.02 2 164 26 26 GLY CA C 45.276 0.2 1 165 26 26 GLY N N 107.245 0.2 1 166 27 27 ASP H H 8.186 0.02 1 167 27 27 ASP HA H 4.469 0.02 1 168 27 27 ASP HB2 H 2.487 0.02 2 169 27 27 ASP HB3 H 2.487 0.02 2 170 27 27 ASP CA C 55.223 0.2 1 171 27 27 ASP CB C 41.908 0.2 1 172 27 27 ASP N N 116.002 0.2 1 173 28 28 ASP H H 8.319 0.02 1 174 28 28 ASP HA H 4.505 0.02 1 175 28 28 ASP HB2 H 2.397 0.02 2 176 28 28 ASP HB3 H 2.514 0.02 2 177 28 28 ASP CA C 53.814 0.2 1 178 28 28 ASP CB C 40.89 0.2 1 179 28 28 ASP N N 117.805 0.2 1 180 29 29 ILE H H 7.913 0.02 1 181 29 29 ILE HA H 4.19 0.02 1 182 29 29 ILE HB H 1.532 0.02 1 183 29 29 ILE HG12 H 1.069 0.02 2 184 29 29 ILE HG13 H 0.714 0.02 2 185 29 29 ILE HG2 H 0.178 0.02 1 186 29 29 ILE HD1 H 0.399 0.02 1 187 29 29 ILE CA C 61.156 0.2 1 188 29 29 ILE CB C 38.367 0.2 1 189 29 29 ILE CG1 C 28.361 0.2 1 190 29 29 ILE CG2 C 18.689 0.2 1 191 29 29 ILE CD1 C 13.099 0.2 1 192 29 29 ILE N N 120.506 0.2 1 193 30 30 LYS H H 8.177 0.02 1 194 30 30 LYS HA H 4.766 0.02 1 195 30 30 LYS HB2 H 1.532 0.02 2 196 30 30 LYS HB3 H 1.748 0.02 2 197 30 30 LYS HG3 H 1.322 0.02 2 198 30 30 LYS HD2 H 1.525 0.02 2 199 30 30 LYS HD3 H 1.329 0.02 2 200 30 30 LYS CA C 54.753 0.2 1 201 30 30 LYS CB C 35.485 0.2 1 202 30 30 LYS CG C 24.862 0.2 1 203 30 30 LYS CD C 29.224 0.2 1 204 30 30 LYS N N 125.49 0.2 1 205 31 31 TRP H H 8.752 0.02 1 206 31 31 TRP HA H 5.298 0.02 1 207 31 31 TRP HB2 H 2.92 0.02 2 208 31 31 TRP HB3 H 3.226 0.02 2 209 31 31 TRP HD1 H 7.437 0.02 1 210 31 31 TRP HE1 H 9.69 0.02 1 211 31 31 TRP HE3 H 7.083 0.02 1 212 31 31 TRP HZ2 H 7.076 0.02 1 213 31 31 TRP HZ3 H 6.486 0.02 1 214 31 31 TRP HH2 H 6.753 0.02 1 215 31 31 TRP CA C 57.573 0.2 1 216 31 31 TRP CB C 34.076 0.2 1 217 31 31 TRP CD1 C 127.768 0.2 1 218 31 31 TRP CE3 C 123.063 0.2 1 219 31 31 TRP CZ2 C 114.1 0.2 1 220 31 31 TRP CZ3 C 120.112 0.2 1 221 31 31 TRP CH2 C 123.615 0.2 1 222 31 31 TRP N N 121.968 0.2 1 223 31 31 TRP NE1 N 129.2 0.2 1 224 32 32 LYS H H 8.876 0.02 1 225 32 32 LYS HA H 4.223 0.02 1 226 32 32 LYS HB2 H 1.705 0.02 2 227 32 32 LYS HB3 H 2.102 0.02 2 228 32 32 LYS HG3 H 1.286 0.02 2 229 32 32 LYS CA C 54.597 0.2 1 230 32 32 LYS CB C 35.485 0.2 1 231 32 32 LYS CG C 25.397 0.2 1 232 32 32 LYS N N 118.343 0.2 1 233 33 33 PRO HA H 4.297 0.02 1 234 33 33 PRO HB2 H 2.026 0.02 2 235 33 33 PRO HB3 H 2.619 0.02 2 236 33 33 PRO HG2 H 2.025 0.02 2 237 33 33 PRO HG3 H 2.162 0.02 2 238 33 33 PRO HD2 H 3.841 0.02 2 239 33 33 PRO HD3 H 3.993 0.02 2 240 33 33 PRO CA C 64.292 0.2 1 241 33 33 PRO CB C 35.492 0.2 1 242 33 33 PRO CG C 27.149 0.2 1 243 33 33 PRO CD C 51.199 0.2 1 244 34 34 ASP H H 8.039 0.02 1 245 34 34 ASP HA H 5.342 0.02 1 246 34 34 ASP HB2 H 2.356 0.02 2 247 34 34 ASP HB3 H 3.13 0.02 2 248 34 34 ASP CA C 50.951 0.2 1 249 34 34 ASP CB C 42.122 0.2 1 250 34 34 ASP N N 119.044 0.2 1 251 35 35 PRO HA H 4.334 0.02 1 252 35 35 PRO HB2 H 2.064 0.02 2 253 35 35 PRO HB3 H 2.649 0.02 2 254 35 35 PRO HG2 H 2.059 0.02 2 255 35 35 PRO HG3 H 2.174 0.02 2 256 35 35 PRO HD2 H 4.022 0.02 2 257 35 35 PRO HD3 H 3.869 0.02 2 258 35 35 PRO CA C 65.137 0.2 1 259 35 35 PRO CB C 32.892 0.2 1 260 35 35 PRO CG C 27.363 0.2 1 261 35 35 PRO CD C 51.301 0.2 1 262 36 36 ALA H H 8.126 0.02 1 263 36 36 ALA HA H 4.127 0.02 1 264 36 36 ALA HB H 1.316 0.02 1 265 36 36 ALA CA C 54.475 0.2 1 266 36 36 ALA CB C 18.915 0.2 1 267 36 36 ALA N N 117.764 0.2 1 268 37 37 LEU H H 7.576 0.02 1 269 37 37 LEU HA H 3.92 0.02 1 270 37 37 LEU HB2 H 0.721 0.02 2 271 37 37 LEU HB3 H 0.721 0.02 2 272 37 37 LEU HG H 1.251 0.02 1 273 37 37 LEU HD1 H 0.953 0.02 2 274 37 37 LEU HD2 H 0.528 0.02 2 275 37 37 LEU CA C 55.427 0.2 1 276 37 37 LEU CB C 38.577 0.2 1 277 37 37 LEU CG C 27.405 0.2 1 278 37 37 LEU CD1 C 27.262 0.2 2 279 37 37 LEU CD2 C 22.585 0.2 2 280 37 37 LEU N N 115.927 0.2 1 281 38 38 GLY H H 7.341 0.02 1 282 38 38 GLY HA2 H 4.01 0.02 2 283 38 38 GLY HA3 H 3.37 0.02 2 284 38 38 GLY CA C 45.399 0.2 1 285 38 38 GLY N N 103.93 0.2 1 286 39 39 ASP H H 9.095 0.02 1 287 39 39 ASP HA H 4.559 0.02 1 288 39 39 ASP HB2 H 2.217 0.02 2 289 39 39 ASP HB3 H 2.442 0.02 2 290 39 39 ASP CA C 53.733 0.2 1 291 39 39 ASP CB C 42.088 0.2 1 292 39 39 ASP N N 122.925 0.2 1 293 40 40 ASN H H 9.267 0.02 1 294 40 40 ASN HA H 4.325 0.02 1 295 40 40 ASN HB2 H 2.956 0.02 2 296 40 40 ASN HB3 H 2.956 0.02 2 297 40 40 ASN HD21 H 6.774 0.02 2 298 40 40 ASN HD22 H 7.538 0.02 2 299 40 40 ASN CA C 56.339 0.2 1 300 40 40 ASN CB C 38.437 0.2 1 301 40 40 ASN N N 122.444 0.2 1 302 40 40 ASN ND2 N 110.9 0.2 1 303 41 41 ASN H H 8.661 0.02 1 304 41 41 ASN HA H 4.434 0.02 1 305 41 41 ASN HB2 H 2.75 0.02 1 306 41 41 ASN CA C 55.053 0.2 1 307 41 41 ASN CB C 37.768 0.2 1 308 41 41 ASN N N 119.328 0.2 1 309 42 42 LYS H H 8.195 0.02 1 310 42 42 LYS HA H 5.586 0.02 1 311 42 42 LYS HB2 H 1.316 0.02 2 312 42 42 LYS HB3 H 1.694 0.02 2 313 42 42 LYS HG2 H 1.107 0.02 2 314 42 42 LYS HG3 H 0.863 0.02 2 315 42 42 LYS CA C 54.984 0.2 1 316 42 42 LYS CB C 36.822 0.2 1 317 42 42 LYS CG C 21.17 0.2 1 318 42 42 LYS N N 119.592 0.2 1 319 43 43 TYR H H 8.661 0.02 1 320 43 43 TYR HA H 3.775 0.02 1 321 43 43 TYR HB2 H -0.486 0.02 2 322 43 43 TYR HB3 H 1.757 0.02 2 323 43 43 TYR HD1 H 5.895 0.02 3 324 43 43 TYR HD2 H 5.895 0.02 3 325 43 43 TYR HE1 H 6.398 0.02 3 326 43 43 TYR HE2 H 6.398 0.02 3 327 43 43 TYR CA C 57.373 0.2 1 328 43 43 TYR CB C 40.262 0.2 1 329 43 43 TYR CD1 C 131.848 0.2 3 330 43 43 TYR CE1 C 118.061 0.2 3 331 43 43 TYR N N 123.577 0.2 1 332 44 44 ILE H H 7.239 0.02 1 333 44 44 ILE HA H 4.559 0.02 1 334 44 44 ILE HB H 1.406 0.02 1 335 44 44 ILE HG12 H 1.114 0.02 2 336 44 44 ILE HG13 H 0.84 0.02 2 337 44 44 ILE HG2 H 0.42 0.02 1 338 44 44 ILE HD1 H 0.632 0.02 1 339 44 44 ILE CA C 61.213 0.2 1 340 44 44 ILE CB C 40.192 0.2 1 341 44 44 ILE CG1 C 28.576 0.2 1 342 44 44 ILE CG2 C 18.181 0.2 1 343 44 44 ILE CD1 C 14.554 0.2 1 344 44 44 ILE N N 124.735 0.2 1 345 45 45 ILE H H 8.984 0.02 1 346 45 45 ILE HA H 3.874 0.02 1 347 45 45 ILE HB H 1.554 0.02 1 348 45 45 ILE HG12 H 0.705 0.02 2 349 45 45 ILE HG13 H 1.271 0.02 2 350 45 45 ILE HG2 H 0.765 0.02 1 351 45 45 ILE HD1 H 0.504 0.02 1 352 45 45 ILE CA C 60.552 0.2 1 353 45 45 ILE CB C 39.52 0.2 1 354 45 45 ILE CG1 C 26.918 0.2 1 355 45 45 ILE CG2 C 18.005 0.2 1 356 45 45 ILE CD1 C 14.624 0.2 1 357 45 45 ILE N N 126.245 0.2 1 358 46 46 GLN H H 8.356 0.02 1 359 46 46 GLN HA H 4.199 0.02 1 360 46 46 GLN HB2 H 1.757 0.02 2 361 46 46 GLN HB3 H 1.757 0.02 2 362 46 46 GLN CA C 56.207 0.2 1 363 46 46 GLN CB C 30.136 0.2 1 364 46 46 GLN N N 122.581 0.2 1 365 47 47 ASN H H 9.115 0.02 1 366 47 47 ASN HA H 4.208 0.02 1 367 47 47 ASN HB2 H 2.595 0.02 2 368 47 47 ASN HB3 H 2.595 0.02 2 369 47 47 ASN CA C 53.42 0.2 1 370 47 47 ASN CB C 37.945 0.2 1 371 47 47 ASN N N 116.902 0.2 1 372 48 48 HIS H H 8.727 0.02 1 373 48 48 HIS HA H 4.352 0.02 1 374 48 48 HIS HB2 H 2.685 0.02 2 375 48 48 HIS HB3 H 2.685 0.02 2 376 48 48 HIS CA C 57.673 0.2 1 377 48 48 HIS CB C 32.048 0.2 1 378 48 48 HIS N N 117.711 0.2 1 379 49 49 ASP H H 7.339 0.02 1 380 49 49 ASP HA H 4.199 0.02 1 381 49 49 ASP HB2 H 2.388 0.02 2 382 49 49 ASP HB3 H 2.838 0.02 2 383 49 49 ASP CA C 53.81 0.2 1 384 49 49 ASP CB C 41.232 0.2 1 385 49 49 ASP N N 124.049 0.2 1 386 50 50 SER H H 5.42 0.02 1 387 50 50 SER HA H 4.1 0.02 1 388 50 50 SER HB2 H 3.874 0.02 2 389 50 50 SER HB3 H 3.874 0.02 2 390 50 50 SER CA C 54.542 0.2 1 391 50 50 SER CB C 61.489 0.2 1 392 50 50 SER N N 100.425 0.2 1 393 51 51 SER H H 7.543 0.02 1 394 51 51 SER HA H 4.619 0.02 1 395 51 51 SER HB2 H 3.666 0.02 2 396 51 51 SER HB3 H 3.666 0.02 2 397 51 51 SER CA C 57.32 0.2 1 398 51 51 SER CB C 63.171 0.2 1 399 51 51 SER N N 115.785 0.2 1 400 52 52 PRO HA H 4.443 0.02 1 401 52 52 PRO HB2 H 2.634 0.02 2 402 52 52 PRO HB3 H 1.548 0.02 2 403 52 52 PRO HG2 H 1.94 0.02 2 404 52 52 PRO HG3 H 1.741 0.02 2 405 52 52 PRO HD2 H 4.598 0.02 2 406 52 52 PRO HD3 H 3.52 0.02 2 407 52 52 PRO CA C 63.741 0.2 1 408 52 52 PRO CB C 32.821 0.2 1 409 52 52 PRO CG C 27.992 0.2 1 410 52 52 PRO CD C 50.896 0.2 1 411 53 53 LEU H H 8.243 0.02 1 412 53 53 LEU HA H 4.525 0.02 1 413 53 53 LEU HB2 H 1.43 0.02 2 414 53 53 LEU HB3 H 1.43 0.02 2 415 53 53 LEU HG H 1.368 0.02 1 416 53 53 LEU HD1 H 0.746 0.02 2 417 53 53 LEU HD2 H 0.678 0.02 2 418 53 53 LEU CA C 54.7 0.2 1 419 53 53 LEU CB C 46.3 0.2 1 420 53 53 LEU CG C 26.65 0.2 1 421 53 53 LEU CD1 C 25.62 0.2 2 422 53 53 LEU CD2 C 25.5 0.2 2 423 53 53 LEU N N 120.506 0.2 1 424 54 54 THR H H 7.839 0.02 1 425 54 54 THR HA H 5.307 0.02 1 426 54 54 THR HB H 3.793 0.02 1 427 54 54 THR HG2 H 1.008 0.02 1 428 54 54 THR CA C 61.956 0.2 1 429 54 54 THR CB C 70.17 0.2 1 430 54 54 THR CG2 C 21.893 0.2 1 431 54 54 THR N N 116.375 0.2 1 432 55 55 VAL H H 8.941 0.02 1 433 55 55 VAL HA H 4.766 0.02 1 434 55 55 VAL HB H 1.577 0.02 1 435 55 55 VAL HG2 H 0.52 0.02 1 436 55 55 VAL CA C 59.677 0.2 1 437 55 55 VAL CB C 35.987 0.2 1 438 55 55 VAL CG2 C 20.943 0.2 1 439 55 55 VAL N N 123.311 0.2 1 440 56 56 SER H H 8.748 0.02 1 441 56 56 SER HA H 5.811 0.02 1 442 56 56 SER HB2 H 3.541 0.02 2 443 56 56 SER HB3 H 3.541 0.02 2 444 56 56 SER CA C 56.606 0.2 1 445 56 56 SER CB C 67.712 0.2 1 446 56 56 SER N N 115.664 0.2 1 447 57 57 CYS H H 8.766 0.02 1 448 57 57 CYS HA H 4.956 0.02 1 449 57 57 CYS HB2 H 1.289 0.02 2 450 57 57 CYS HB3 H 1.478 0.02 2 451 57 57 CYS CA C 53.136 0.2 1 452 57 57 CYS CB C 48.859 0.2 1 453 57 57 CYS N N 113.093 0.2 1 454 58 58 THR H H 8.44 0.02 1 455 58 58 THR HA H 4.829 0.02 1 456 58 58 THR HB H 3.658 0.02 1 457 58 58 THR HG2 H 0.809 0.02 1 458 58 58 THR CA C 61.394 0.2 1 459 58 58 THR CB C 70.872 0.2 1 460 58 58 THR CG2 C 21.065 0.2 1 461 58 58 THR N N 115.221 0.2 1 462 59 59 ALA H H 8.489 0.02 1 463 59 59 ALA HA H 4.442 0.02 1 464 59 59 ALA HB H 0.992 0.02 1 465 59 59 ALA CA C 50.661 0.2 1 466 59 59 ALA CB C 21.23 0.2 1 467 59 59 ALA N N 128.54 0.2 1 468 60 60 GLY H H 9.072 0.02 1 469 60 60 GLY HA2 H 3.811 0.02 2 470 60 60 GLY HA3 H 3.487 0.02 2 471 60 60 GLY CA C 47.668 0.2 1 472 60 60 GLY N N 114.199 0.2 1 473 61 61 ASP H H 8.553 0.02 1 474 61 61 ASP HA H 4.352 0.02 1 475 61 61 ASP HB2 H 2.559 0.02 2 476 61 61 ASP HB3 H 2.559 0.02 2 477 61 61 ASP CA C 54.605 0.2 1 478 61 61 ASP CB C 41.278 0.2 1 479 61 61 ASP N N 122.847 0.2 1 480 62 62 GLN H H 7.703 0.02 1 481 62 62 GLN HA H 4.19 0.02 1 482 62 62 GLN HB2 H 1.613 0.02 2 483 62 62 GLN HB3 H 1.802 0.02 2 484 62 62 GLN HG2 H 1.983 0.02 2 485 62 62 GLN HG3 H 1.958 0.02 2 486 62 62 GLN HE22 H 8.447 0.02 1 487 62 62 GLN CA C 55.357 0.2 1 488 62 62 GLN CB C 31.276 0.2 1 489 62 62 GLN CG C 33.868 0.2 1 490 62 62 GLN N N 117.8 0.2 1 491 62 62 GLN NE2 N 115.176 0.2 1 492 63 63 GLU H H 8.143 0.02 1 493 63 63 GLU HA H 4.64 0.02 1 494 63 63 GLU HB2 H 1.838 0.02 2 495 63 63 GLU HB3 H 1.265 0.02 2 496 63 63 GLU CA C 55.465 0.2 1 497 63 63 GLU CB C 32.603 0.2 1 498 63 63 GLU N N 123.165 0.2 1 499 64 64 HIS H H 8.925 0.02 1 500 64 64 HIS HA H 4.764 0.02 1 501 64 64 HIS HB2 H 3.005 0.02 2 502 64 64 HIS HB3 H 2.724 0.02 2 503 64 64 HIS HD2 H 6.33 0.02 1 504 64 64 HIS CA C 55.277 0.2 1 505 64 64 HIS CB C 33.1 0.2 1 506 64 64 HIS N N 125.182 0.2 1 507 65 65 THR H H 9.376 0.02 1 508 65 65 THR HA H 4.996 0.02 1 509 65 65 THR HB H 3.865 0.02 1 510 65 65 THR HG2 H 1.02 0.02 1 511 65 65 THR CA C 63.303 0.2 1 512 65 65 THR CB C 71.145 0.2 1 513 65 65 THR CG2 C 22.72 0.2 1 514 65 65 THR N N 120.044 0.2 1 515 66 66 MET H H 9.422 0.02 1 516 66 66 MET HA H 5.512 0.02 1 517 66 66 MET HB2 H 0.532 0.02 2 518 66 66 MET HB3 H 0.9 0.02 2 519 66 66 MET HG2 H 1.544 0.02 2 520 66 66 MET HG3 H 1.786 0.02 2 521 66 66 MET HE H 1.235 0.02 1 522 66 66 MET CA C 52.61 0.2 1 523 66 66 MET CB C 36.065 0.2 1 524 66 66 MET CG C 36.048 0.2 1 525 66 66 MET CE C 17.879 0.2 1 526 66 66 MET N N 126.414 0.2 1 527 67 67 TYR H H 9.023 0.02 1 528 67 67 TYR HA H 4.807 0.02 1 529 67 67 TYR HB2 H 2.737 0.02 2 530 67 67 TYR HB3 H 2.656 0.02 2 531 67 67 TYR HD1 H 6.666 0.02 3 532 67 67 TYR HD2 H 6.666 0.02 3 533 67 67 TYR HE1 H 6.448 0.02 3 534 67 67 TYR HE2 H 6.448 0.02 3 535 67 67 TYR CA C 57.601 0.2 1 536 67 67 TYR CB C 40.7 0.2 1 537 67 67 TYR CD1 C 132.3 0.2 3 538 67 67 TYR CE1 C 118.4 0.2 3 539 67 67 TYR N N 124.879 0.2 1 540 68 68 LEU H H 8.714 0.02 1 541 68 68 LEU HA H 4.783 0.02 1 542 68 68 LEU HB2 H 1.686 0.02 2 543 68 68 LEU HB3 H 1.266 0.02 2 544 68 68 LEU HG H 1.039 0.02 1 545 68 68 LEU HD1 H 0.603 0.02 2 546 68 68 LEU HD2 H 0.356 0.02 2 547 68 68 LEU CA C 52.795 0.2 1 548 68 68 LEU CB C 44.966 0.2 1 549 68 68 LEU CG C 27.246 0.2 1 550 68 68 LEU CD1 C 24.896 0.2 2 551 68 68 LEU CD2 C 26.754 0.2 2 552 68 68 LEU N N 127.991 0.2 1 553 69 69 ASN H H 8.369 0.02 1 554 69 69 ASN HA H 4.458 0.02 1 555 69 69 ASN HB2 H 1.289 0.02 2 556 69 69 ASN HB3 H 1.708 0.02 2 557 69 69 ASN HD21 H 7.059 0.02 2 558 69 69 ASN HD22 H 6.805 0.02 2 559 69 69 ASN CA C 51.307 0.2 1 560 69 69 ASN CB C 37.896 0.2 1 561 69 69 ASN N N 125.992 0.2 1 562 69 69 ASN ND2 N 112.078 0.2 1 563 70 70 ALA H H 8.581 0.02 1 564 70 70 ALA HA H 4.712 0.02 1 565 70 70 ALA HB H 0.847 0.02 1 566 70 70 ALA CA C 50.121 0.2 1 567 70 70 ALA CB C 21.166 0.2 1 568 70 70 ALA N N 122.336 0.2 1 569 71 71 LYS H H 8.558 0.02 1 570 71 71 LYS HA H 4.307 0.02 1 571 71 71 LYS HB2 H 1.766 0.02 2 572 71 71 LYS HB3 H 1.766 0.02 2 573 71 71 LYS HG3 H 0.984 0.02 2 574 71 71 LYS CA C 54.956 0.2 1 575 71 71 LYS CB C 32.867 0.2 1 576 71 71 LYS CG C 21.83 0.2 1 577 71 71 LYS N N 120.661 0.2 1 578 72 72 VAL H H 8.384 0.02 1 579 72 72 VAL HA H 4.379 0.02 1 580 72 72 VAL HB H 2.226 0.02 1 581 72 72 VAL HG1 H 0.639 0.02 2 582 72 72 VAL HG2 H 0.639 0.02 2 583 72 72 VAL CA C 59.763 0.2 1 584 72 72 VAL CB C 34.225 0.2 1 585 72 72 VAL CG1 C 22.373 0.2 2 586 72 72 VAL CG2 C 19.746 0.2 2 587 72 72 VAL N N 114.526 0.2 1 588 73 73 GLY H H 8.036 0.02 1 589 73 73 GLY HA2 H 3.802 0.02 2 590 73 73 GLY HA3 H 3.802 0.02 2 591 73 73 GLY CA C 45.354 0.2 1 592 73 73 GLY N N 107.198 0.2 1 593 74 74 SER H H 8.292 0.02 1 594 74 74 SER HB2 H 4.483 0.02 2 595 74 74 SER CA C 58.043 0.2 1 596 74 74 SER CB C 64.622 0.2 1 597 74 74 SER N N 113.743 0.2 1 598 75 75 ALA HA H 4.145 0.02 1 599 75 75 ALA HB H 1.262 0.02 1 600 75 75 ALA CA C 53.63 0.2 1 601 75 75 ALA CB C 19.565 0.2 1 602 76 76 ASP H H 8.189 0.02 1 603 76 76 ASP HA H 4.4 0.02 1 604 76 76 ASP HB2 H 2.536 0.02 2 605 76 76 ASP HB3 H 2.457 0.02 2 606 76 76 ASP CA C 55.11 0.2 1 607 76 76 ASP CB C 41.466 0.2 1 608 76 76 ASP N N 117.216 0.2 1 609 77 77 ASP HA H 4.101 0.02 1 610 77 77 ASP CA C 53.04 0.2 1 611 82 82 ALA HA H 4.073 0.02 1 612 82 82 ALA HB H 1.244 0.02 1 613 82 82 ALA CA C 53.462 0.2 1 614 82 82 ALA CB C 19.492 0.2 1 615 83 83 ALA H H 8.048 0.02 1 616 83 83 ALA HA H 4.922 0.02 1 617 83 83 ALA CA C 53.158 0.2 1 618 83 83 ALA N N 120.555 0.2 1 619 96 96 ASP HA H 4.101 0.02 1 620 96 96 ASP CA C 56.27 0.2 1 621 96 96 ASP CB C 42.369 0.2 1 622 97 97 GLY H H 8.313 0.02 1 623 97 97 GLY HA2 H 3.839 0.02 2 624 97 97 GLY HA3 H 3.839 0.02 2 625 97 97 GLY CA C 45.934 0.2 1 626 97 97 GLY N N 106.76 0.2 1 627 98 98 SER H H 8.179 0.02 1 628 98 98 SER HA H 4.281 0.02 1 629 98 98 SER HB2 H 3.731 0.02 2 630 98 98 SER HB3 H 3.731 0.02 2 631 98 98 SER CA C 59.061 0.2 1 632 98 98 SER CB C 64.152 0.2 1 633 98 98 SER N N 114.252 0.2 1 634 99 99 VAL H H 7.978 0.02 1 635 99 99 VAL HA H 3.993 0.02 1 636 99 99 VAL HB H 1.948 0.02 1 637 99 99 VAL HG1 H 1.148 0.02 2 638 99 99 VAL HG2 H 0.748 0.02 2 639 99 99 VAL CA C 62.728 0.2 1 640 99 99 VAL CB C 32.891 0.2 1 641 99 99 VAL CG1 C 19.906 0.2 2 642 99 99 VAL CG2 C 21.068 0.2 2 643 99 99 VAL N N 119.765 0.2 1 644 100 100 ALA H H 8.244 0.02 1 645 100 100 ALA HA H 4.119 0.02 1 646 100 100 ALA HB H 1.254 0.02 1 647 100 100 ALA CA C 52.933 0.2 1 648 100 100 ALA CB C 20.172 0.2 1 649 100 100 ALA N N 126.348 0.2 1 650 101 101 LYS H H 8.105 0.02 1 651 101 101 LYS HA H 4.227 0.02 1 652 101 101 LYS HB2 H 1.605 0.02 2 653 101 101 LYS HB3 H 1.605 0.02 2 654 101 101 LYS HG3 H 0.736 0.02 2 655 101 101 LYS HD3 H 1.96 0.02 2 656 101 101 LYS CA C 56.279 0.2 1 657 101 101 LYS CB C 33.917 0.2 1 658 101 101 LYS CG C 25.257 0.2 1 659 101 101 LYS CD C 30.909 0.2 1 660 101 101 LYS N N 118.495 0.2 1 661 102 102 LEU H H 8.308 0.02 1 662 102 102 LEU HA H 4.24 0.02 1 663 102 102 LEU HB2 H 1.243 0.02 2 664 102 102 LEU HB3 H 0.952 0.02 2 665 102 102 LEU HG H 1.436 0.02 1 666 102 102 LEU HD1 H 0.712 0.02 2 667 102 102 LEU HD2 H 0.67 0.02 2 668 102 102 LEU CA C 55.2 0.2 1 669 102 102 LEU CB C 43.033 0.2 1 670 102 102 LEU CG C 27 0.2 1 671 102 102 LEU CD1 C 24.7 0.2 2 672 102 102 LEU CD2 C 23.7 0.2 2 673 102 102 LEU N N 123.225 0.2 1 674 103 103 GLY H H 8.286 0.02 1 675 103 103 GLY HA2 H 3.83 0.02 2 676 103 103 GLY HA3 H 3.83 0.02 2 677 103 103 GLY CA C 45.287 0.2 1 678 103 103 GLY N N 108.552 0.2 1 679 104 104 VAL H H 7.845 0.02 1 680 104 104 VAL HA H 4.386 0.02 1 681 104 104 VAL HB H 1.635 0.02 1 682 104 104 VAL HG2 H 0.718 0.02 1 683 104 104 VAL CA C 62.978 0.2 1 684 104 104 VAL CB C 32.901 0.2 1 685 104 104 VAL CG2 C 21.286 0.2 1 686 104 104 VAL N N 118.898 0.2 1 687 105 105 HIS HA H 4.697 0.02 1 688 105 105 HIS HB2 H 2.98 0.02 2 689 105 105 HIS HB3 H 2.594 0.02 2 690 105 105 HIS CA C 55.848 0.2 1 691 105 105 HIS CB C 32.961 0.2 1 692 106 106 GLY H H 8.318 0.02 1 693 106 106 GLY HA2 H 3.812 0.02 2 694 106 106 GLY HA3 H 3.812 0.02 2 695 106 106 GLY CA C 45.687 0.2 1 696 106 106 GLY N N 108.707 0.2 1 697 107 107 LEU H H 8.191 0.02 1 698 107 107 LEU HA H 4.402 0.02 1 699 107 107 LEU HB2 H 1.008 0.02 2 700 107 107 LEU HB3 H 1.428 0.02 2 701 107 107 LEU HD2 H 0.507 0.02 2 702 107 107 LEU CA C 55.497 0.2 1 703 107 107 LEU CB C 43.632 0.2 1 704 107 107 LEU CD2 C 20.981 0.2 2 705 107 107 LEU N N 121.67 0.2 1 706 108 108 SER H H 8.523 0.02 1 707 108 108 SER HA H 4.704 0.02 1 708 108 108 SER HB2 H 3.605 0.02 2 709 108 108 SER HB3 H 3.605 0.02 2 710 108 108 SER CA C 57.43 0.2 1 711 108 108 SER CB C 65.954 0.2 1 712 108 108 SER N N 118.838 0.2 1 713 109 109 MET H H 8.351 0.02 1 714 109 109 MET HA H 5.118 0.02 1 715 109 109 MET HB2 H 1.644 0.02 2 716 109 109 MET HB3 H 1.785 0.02 2 717 109 109 MET HG2 H 2.18 0.02 2 718 109 109 MET HG3 H 2.592 0.02 2 719 109 109 MET HE H 1.814 0.02 1 720 109 109 MET CA C 55.146 0.2 1 721 109 109 MET CB C 35.799 0.2 1 722 109 109 MET CG C 30.712 0.2 1 723 109 109 MET CE C 17.00 0.2 1 724 109 109 MET N N 123.671 0.2 1 725 110 110 SER H H 9.061 0.02 1 726 110 110 SER HA H 4.668 0.02 1 727 110 110 SER HB2 H 3.542 0.02 2 728 110 110 SER HB3 H 3.542 0.02 2 729 110 110 SER CA C 57.103 0.2 1 730 110 110 SER CB C 66.659 0.2 1 731 110 110 SER N N 118.211 0.2 1 732 111 111 VAL H H 7.923 0.02 1 733 111 111 VAL HA H 4.29 0.02 1 734 111 111 VAL HB H 0.921 0.02 1 735 111 111 VAL HG1 H 0.101 0.02 2 736 111 111 VAL HG2 H 0.433 0.02 2 737 111 111 VAL CA C 61.166 0.2 1 738 111 111 VAL CB C 33.733 0.2 1 739 111 111 VAL CG1 C 20.932 0.2 2 740 111 111 VAL CG2 C 21.575 0.2 2 741 111 111 VAL N N 119.042 0.2 1 742 112 112 LYS H H 9.181 0.02 1 743 112 112 LYS HA H 4.506 0.02 1 744 112 112 LYS HB2 H 1.416 0.02 2 745 112 112 LYS HB3 H 1.416 0.02 2 746 112 112 LYS CA C 54.832 0.2 1 747 112 112 LYS CB C 35.955 0.2 1 748 112 112 LYS N N 126.477 0.2 1 749 113 113 GLU H H 8.41 0.02 1 750 113 113 GLU HA H 5.236 0.02 1 751 113 113 GLU HB2 H 1.659 0.02 2 752 113 113 GLU HB3 H 1.83 0.02 2 753 113 113 GLU HG2 H 1.963 0.02 2 754 113 113 GLU HG3 H 2.142 0.02 2 755 113 113 GLU CA C 54.795 0.2 1 756 113 113 GLU CB C 30.714 0.2 1 757 113 113 GLU CG C 36.4 0.2 1 758 113 113 GLU N N 121.962 0.2 1 759 114 114 VAL H H 8.744 0.02 1 760 114 114 VAL HA H 4.16 0.02 1 761 114 114 VAL HB H 1.82 0.02 1 762 114 114 VAL HG2 H 0.639 0.02 1 763 114 114 VAL CA C 61.646 0.2 1 764 114 114 VAL CB C 35.564 0.2 1 765 114 114 VAL CG2 C 20.78 0.2 1 766 114 114 VAL N N 122.453 0.2 1 767 115 115 SER HA H 3.884 0.02 1 768 115 115 SER HB2 H 3.731 0.02 2 769 115 115 SER HB3 H 4.02 0.02 2 770 115 115 SER CA C 58.726 0.2 1 771 115 115 SER CB C 62.588 0.2 1 772 116 116 GLY H H 8.744 0.02 1 773 116 116 GLY HA2 H 4.089 0.02 2 774 116 116 GLY HA3 H 3.487 0.02 2 775 116 116 GLY CA C 45.766 0.2 1 776 116 116 GLY N N 104.57 0.2 1 777 117 117 LYS H H 7.934 0.02 1 778 117 117 LYS HA H 4.6 0.02 1 779 117 117 LYS HB2 H 1.534 0.02 2 780 117 117 LYS HB3 H 1.058 0.02 2 781 117 117 LYS HG3 H 0.697 0.02 2 782 117 117 LYS HE2 H 2.623 0.02 2 783 117 117 LYS HE3 H 2.728 0.02 2 784 117 117 LYS CA C 55.273 0.2 1 785 117 117 LYS CB C 36.333 0.2 1 786 117 117 LYS CG C 20.881 0.2 1 787 117 117 LYS CE C 41.763 0.2 1 788 117 117 LYS N N 120.735 0.2 1 789 118 118 VAL H H 7.619 0.02 1 790 118 118 VAL HA H 4.157 0.02 1 791 118 118 VAL HB H 1.179 0.02 1 792 118 118 VAL HG1 H 0.18 0.02 2 793 118 118 VAL HG2 H 0.371 0.02 2 794 118 118 VAL CA C 61.745 0.2 1 795 118 118 VAL CB C 33.627 0.2 1 796 118 118 VAL CG1 C 22.493 0.2 2 797 118 118 VAL CG2 C 21.163 0.2 2 798 118 118 VAL N N 117.642 0.2 1 799 119 119 PHE H H 8.86 0.02 1 800 119 119 PHE HA H 5.213 0.02 1 801 119 119 PHE HB2 H 2.372 0.02 2 802 119 119 PHE HB3 H 2.501 0.02 2 803 119 119 PHE HD1 H 6.642 0.02 3 804 119 119 PHE HD2 H 6.642 0.02 3 805 119 119 PHE HE1 H 7.037 0.02 3 806 119 119 PHE HE2 H 7.037 0.02 3 807 119 119 PHE HZ H 6.908 0.02 1 808 119 119 PHE CA C 55.468 0.2 1 809 119 119 PHE CB C 42.987 0.2 1 810 119 119 PHE CD1 C 131.217 0.2 3 811 119 119 PHE CE1 C 130.912 0.2 3 812 119 119 PHE CZ C 129.144 0.2 1 813 119 119 PHE N N 121.052 0.2 1 814 120 120 LEU H H 8.576 0.02 1 815 120 120 LEU HA H 5.102 0.02 1 816 120 120 LEU HB2 H 1.201 0.02 2 817 120 120 LEU HB3 H 1.39 0.02 2 818 120 120 LEU HG H 1.162 0.02 1 819 120 120 LEU HD1 H 0.541 0.02 2 820 120 120 LEU HD2 H 0.133 0.02 2 821 120 120 LEU CA C 52.993 0.2 1 822 120 120 LEU CB C 44.439 0.2 1 823 120 120 LEU CG C 27.256 0.2 1 824 120 120 LEU CD1 C 26.42 0.2 2 825 120 120 LEU CD2 C 25.054 0.2 2 826 120 120 LEU N N 117.758 0.2 1 827 121 121 GLN H H 8.481 0.02 1 828 121 121 GLN HA H 4.289 0.02 1 829 121 121 GLN HB2 H 1.555 0.02 2 830 121 121 GLN CA C 54.98 0.2 1 831 121 121 GLN CB C 33.042 0.2 1 832 121 121 GLN N N 116.064 0.2 1 833 122 122 CYS H H 9.203 0.02 1 834 122 122 CYS HA H 5.24 0.02 1 835 122 122 CYS HB2 H 1.97 0.02 2 836 122 122 CYS HB3 H 2.12 0.02 2 837 122 122 CYS CA C 54.865 0.2 1 838 122 122 CYS CB C 44.5 0.2 1 839 122 122 CYS N N 120.052 0.2 1 840 123 123 GLN H H 8.106 0.02 1 841 123 123 GLN HA H 4.421 0.02 1 842 123 123 GLN HB2 H 2.06 0.02 2 843 123 123 GLN HB3 H 1.908 0.02 2 844 123 123 GLN HG2 H 2.328 0.02 2 845 123 123 GLN HG3 H 1.774 0.02 2 846 123 123 GLN HE21 H 7.313 0.02 2 847 123 123 GLN HE22 H 7.533 0.02 2 848 123 123 GLN CA C 55.682 0.2 1 849 123 123 GLN CB C 32.613 0.2 1 850 123 123 GLN CG C 34.237 0.2 1 851 123 123 GLN N N 115.174 0.2 1 852 123 123 GLN NE2 N 111.286 0.2 1 853 124 124 GLU H H 8.578 0.02 1 854 124 124 GLU HA H 4.148 0.02 1 855 124 124 GLU HB2 H 2.551 0.02 2 856 124 124 GLU HB3 H 1.811 0.02 2 857 124 124 GLU CA C 55.96 0.2 1 858 124 124 GLU CB C 32.752 0.2 1 859 124 124 GLU N N 120.534 0.2 1 860 132 132 TYR H H 8.286 0.02 1 861 132 132 TYR HA H 4.392 0.02 1 862 132 132 TYR HB2 H 2.588 0.02 2 863 132 132 TYR HB3 H 2.765 0.02 2 864 132 132 TYR HD1 H 6.538 0.02 3 865 132 132 TYR HD2 H 6.538 0.02 3 866 132 132 TYR HE1 H 7.27 0.02 3 867 132 132 TYR HE2 H 7.27 0.02 3 868 132 132 TYR CA C 55.015 0.2 1 869 132 132 TYR CD2 C 125.65 0.2 3 870 132 132 TYR CE2 C 113.2 0.2 3 871 132 132 TYR N N 122.981 0.2 1 872 133 133 LEU H H 8.102 0.02 1 873 133 133 LEU HA H 4.608 0.02 1 874 133 133 LEU HB2 H 1.001 0.02 2 875 133 133 LEU HB3 H 1.435 0.02 2 876 133 133 LEU HG H 0.599 0.02 1 877 133 133 LEU HD1 H 0.38 0.02 2 878 133 133 LEU HD2 H 0.38 0.02 2 879 133 133 LEU CA C 55.155 0.2 1 880 133 133 LEU CB C 43.071 0.2 1 881 133 133 LEU CD1 C 25.123 0.2 2 882 133 133 LEU CD2 C 26.47 0.2 2 883 133 133 LEU N N 122.894 0.2 1 884 134 134 TRP H H 8.763 0.02 1 885 134 134 TRP HA H 5.518 0.02 1 886 134 134 TRP HB2 H 2.871 0.02 2 887 134 134 TRP HB3 H 3.015 0.02 2 888 134 134 TRP HD1 H 7.044 0.02 1 889 134 134 TRP HE1 H 10.02 0.02 1 890 134 134 TRP HE3 H 7.367 0.02 1 891 134 134 TRP HZ2 H 7.24 0.02 1 892 134 134 TRP HZ3 H 6.915 0.02 1 893 134 134 TRP HH2 H 6.989 0.02 1 894 134 134 TRP CA C 56.406 0.2 1 895 134 134 TRP CB C 32.329 0.2 1 896 134 134 TRP CD1 C 126.985 0.2 1 897 134 134 TRP CE3 C 120.664 0.2 1 898 134 134 TRP CZ2 C 114.495 0.2 1 899 134 134 TRP CZ3 C 121.932 0.2 1 900 134 134 TRP CH2 C 124.404 0.2 1 901 134 134 TRP N N 125.713 0.2 1 902 134 134 TRP NE1 N 129.4 0.2 1 903 135 135 LYS H H 9.321 0.02 1 904 135 135 LYS HA H 5.229 0.02 1 905 135 135 LYS HB2 H 1.615 0.02 2 906 135 135 LYS HB3 H 1.241 0.02 2 907 135 135 LYS HG2 H 1.007 0.02 2 908 135 135 LYS HG3 H 1.045 0.02 2 909 135 135 LYS HD3 H 1.35 0.02 2 910 135 135 LYS HE2 H 2.629 0.02 2 911 135 135 LYS HE3 H 2.472 0.02 2 912 135 135 LYS CA C 55.041 0.2 1 913 135 135 LYS CB C 38.016 0.2 1 914 135 135 LYS CG C 25.834 0.2 1 915 135 135 LYS CD C 29.862 0.2 1 916 135 135 LYS CE C 42.147 0.2 1 917 135 135 LYS N N 118.492 0.2 1 918 136 136 LYS H H 8.509 0.02 1 919 136 136 LYS HA H 4.691 0.02 1 920 136 136 LYS HB2 H 1.519 0.02 2 921 136 136 LYS HB3 H 1.757 0.02 2 922 136 136 LYS CA C 55.145 0.2 1 923 136 136 LYS CB C 35.015 0.2 1 924 136 136 LYS N N 121.232 0.2 1 925 137 137 GLY H H 8.641 0.02 1 926 137 137 GLY HA2 H 3.895 0.02 2 927 137 137 GLY HA3 H 3.387 0.02 2 928 137 137 GLY CA C 47.469 0.2 1 929 137 137 GLY N N 116.933 0.2 1 930 138 138 LYS H H 8.963 0.02 1 931 138 138 LYS HA H 4.426 0.02 1 932 138 138 LYS CA C 57.174 0.2 1 933 138 138 LYS CB C 33.087 0.2 1 934 138 138 LYS N N 124.712 0.2 1 935 139 139 GLU H H 8.011 0.02 1 936 139 139 GLU HA H 4.173 0.02 1 937 139 139 GLU HB2 H 1.948 0.02 2 938 139 139 GLU HB3 H 2.163 0.02 2 939 139 139 GLU HG2 H 2.175 0.02 2 940 139 139 GLU HG3 H 2.043 0.02 2 941 139 139 GLU CA C 56.264 0.2 1 942 139 139 GLU CB C 31.206 0.2 1 943 139 139 GLU CG C 36.166 0.2 1 944 139 139 GLU N N 120.229 0.2 1 945 140 140 GLU H H 8.811 0.02 1 946 140 140 GLU HA H 4.218 0.02 1 947 140 140 GLU HB2 H 1.912 0.02 2 948 140 140 GLU HB3 H 1.912 0.02 2 949 140 140 GLU HG2 H 1.896 0.02 2 950 140 140 GLU HG3 H 2.286 0.02 2 951 140 140 GLU CA C 57.686 0.2 1 952 140 140 GLU CB C 30.504 0.2 1 953 140 140 GLU CG C 37.335 0.2 1 954 140 140 GLU N N 123.311 0.2 1 955 141 141 LEU H H 9.291 0.02 1 956 141 141 LEU HA H 4.452 0.02 1 957 141 141 LEU HB2 H 1.506 0.02 2 958 141 141 LEU HB3 H 1.506 0.02 2 959 141 141 LEU HD1 H 0.734 0.02 2 960 141 141 LEU HD2 H 0.734 0.02 2 961 141 141 LEU CA C 55.216 0.2 1 962 141 141 LEU CB C 43.211 0.2 1 963 141 141 LEU CD1 C 23.322 0.2 2 964 141 141 LEU CD2 C 22.129 0.2 2 965 141 141 LEU N N 121.782 0.2 1 966 142 142 GLY H H 7.06 0.02 1 967 142 142 GLY HA2 H 4.488 0.02 2 968 142 142 GLY HA3 H 3.758 0.02 2 969 142 142 GLY CA C 44.571 0.2 1 970 142 142 GLY N N 102.57 0.2 1 971 143 143 ASN H H 8.472 0.02 1 972 143 143 ASN HA H 5.902 0.02 1 973 143 143 ASN HB2 H 2.38 0.02 2 974 143 143 ASN HB3 H 2.488 0.02 2 975 143 143 ASN CA C 52.908 0.2 1 976 143 143 ASN CB C 40.333 0.2 1 977 143 143 ASN N N 117.181 0.2 1 978 144 144 MET H H 9.27 0.02 1 979 144 144 MET HA H 4.747 0.02 1 980 144 144 MET HB2 H 2.326 0.02 2 981 144 144 MET HB3 H 1.966 0.02 2 982 144 144 MET HG2 H 2.278 0.02 2 983 144 144 MET HG3 H 2.091 0.02 2 984 144 144 MET HE H 1.697 0.02 1 985 144 144 MET CA C 56.085 0.2 1 986 144 144 MET CB C 36.425 0.2 1 987 144 144 MET CG C 31.874 0.2 1 988 144 144 MET CE C 18.085 0.2 1 989 144 144 MET N N 117.97 0.2 1 990 145 145 ARG H H 9.085 0.02 1 991 145 145 ARG HA H 4.275 0.02 1 992 145 145 ARG HB2 H 1.957 0.02 2 993 145 145 ARG CA C 58.881 0.2 1 994 145 145 ARG CB C 31.307 0.2 1 995 145 145 ARG N N 125.032 0.2 1 996 146 146 GLN H H 7.599 0.02 1 997 146 146 GLN HA H 4.904 0.02 1 998 146 146 GLN HB2 H 1.906 0.02 2 999 146 146 GLN HB3 H 1.786 0.02 2 1000 146 146 GLN HG3 H 2.123 0.02 2 1001 146 146 GLN CA C 54.355 0.2 1 1002 146 146 GLN CB C 31.933 0.2 1 1003 146 146 GLN CG C 32.083 0.2 1 1004 146 146 GLN N N 112.668 0.2 1 1005 147 147 LEU H H 8.13 0.02 1 1006 147 147 LEU HA H 4.023 0.02 1 1007 147 147 LEU HB2 H -0.676 0.02 2 1008 147 147 LEU HB3 H 0.412 0.02 2 1009 147 147 LEU HD1 H 0.189 0.02 2 1010 147 147 LEU HD2 H 0.326 0.02 2 1011 147 147 LEU CA C 53.221 0.2 1 1012 147 147 LEU CB C 43.702 0.2 1 1013 147 147 LEU CD1 C 27.409 0.2 2 1014 147 147 LEU CD2 C 24.207 0.2 2 1015 147 147 LEU N N 122.152 0.2 1 1016 148 148 ASP H H 8.008 0.02 1 1017 148 148 ASP HA H 3.921 0.02 1 1018 148 148 ASP HB2 H 2.245 0.02 2 1019 148 148 ASP HB3 H 2.578 0.02 2 1020 148 148 ASP CA C 53.321 0.2 1 1021 148 148 ASP CB C 41.456 0.2 1 1022 148 148 ASP N N 124.52 0.2 1 1023 149 149 LEU H H 8.79 0.02 1 1024 149 149 LEU HA H 3.913 0.02 1 1025 149 149 LEU HB2 H 1.043 0.02 2 1026 149 149 LEU HB3 H 1.134 0.02 2 1027 149 149 LEU HG H 0.939 0.02 1 1028 149 149 LEU HD1 H 0.137 0.02 2 1029 149 149 LEU HD2 H -0.045 0.02 2 1030 149 149 LEU CA C 54.188 0.2 1 1031 149 149 LEU CB C 42.298 0.2 1 1032 149 149 LEU CG C 27.158 0.2 1 1033 149 149 LEU CD1 C 25.049 0.2 2 1034 149 149 LEU CD2 C 22.098 0.2 2 1035 149 149 LEU N N 124.941 0.2 1 1036 150 150 GLY H H 8.744 0.02 1 1037 150 150 GLY HA2 H 3.93 0.02 2 1038 150 150 GLY HA3 H 3.32 0.02 2 1039 150 150 GLY CA C 44.53 0.2 1 1040 150 150 GLY N N 108.901 0.2 1 1041 151 151 ALA H H 8.167 0.02 1 1042 151 151 ALA HA H 4.234 0.02 1 1043 151 151 ALA HB H 1.038 0.02 1 1044 151 151 ALA CA C 52.37 0.2 1 1045 151 151 ALA CB C 19.15 0.2 1 1046 151 151 ALA N N 118.338 0.2 1 1047 152 152 ILE H H 8.269 0.02 1 1048 152 152 ILE HA H 2.91 0.02 1 1049 152 152 ILE HB H 1.201 0.02 1 1050 152 152 ILE HG12 H 0.638 0.02 2 1051 152 152 ILE HG13 H 0.883 0.02 2 1052 152 152 ILE HG2 H 0.495 0.02 1 1053 152 152 ILE HD1 H 0.605 0.02 1 1054 152 152 ILE CA C 65.565 0.2 1 1055 152 152 ILE CB C 39.588 0.2 1 1056 152 152 ILE CG1 C 29.684 0.2 1 1057 152 152 ILE CG2 C 17.105 0.2 1 1058 152 152 ILE CD1 C 14.578 0.2 1 1059 152 152 ILE N N 121.825 0.2 1 1060 153 153 TYR H H 6.757 0.02 1 1061 153 153 TYR HA H 4.119 0.02 1 1062 153 153 TYR HB2 H 2.722 0.02 2 1063 153 153 TYR HB3 H 3.083 0.02 2 1064 153 153 TYR HD1 H 7.02 0.02 3 1065 153 153 TYR HD2 H 7.02 0.02 3 1066 153 153 TYR HE1 H 6.698 0.02 3 1067 153 153 TYR HE2 H 6.698 0.02 3 1068 153 153 TYR CA C 59.598 0.2 1 1069 153 153 TYR CB C 37.358 0.2 1 1070 153 153 TYR CD2 C 132.893 0.2 3 1071 153 153 TYR CE2 C 118.534 0.2 3 1072 153 153 TYR N N 109.544 0.2 1 1073 154 154 ASP H H 7.092 0.02 1 1074 154 154 ASP HA H 4.704 0.02 1 1075 154 154 ASP HB2 H 2.37 0.02 2 1076 154 154 ASP HB3 H 2.774 0.02 2 1077 154 154 ASP CA C 54.897 0.2 1 1078 154 154 ASP CB C 40.733 0.2 1 1079 154 154 ASP N N 117.255 0.2 1 1080 155 155 ASP H H 7.855 0.02 1 1081 155 155 ASP HA H 4.233 0.02 1 1082 155 155 ASP HB2 H 2.587 0.02 2 1083 155 155 ASP HB3 H 3.214 0.02 2 1084 155 155 ASP CA C 55.5 0.2 1 1085 155 155 ASP CB C 39.467 0.2 1 1086 155 155 ASP N N 115.759 0.2 1 1087 156 156 PRO HA H 4.151 0.02 1 1088 156 156 PRO HB2 H 1.271 0.02 2 1089 156 156 PRO HB3 H 1.841 0.02 2 1090 156 156 PRO HG3 H 0.902 0.02 2 1091 156 156 PRO CA C 64.485 0.2 1 1092 156 156 PRO CB C 31.692 0.2 1 1093 157 157 ARG H H 7.888 0.02 1 1094 157 157 ARG HA H 5.141 0.02 1 1095 157 157 ARG HB2 H 1.667 0.02 2 1096 157 157 ARG HB3 H 1.825 0.02 2 1097 157 157 ARG HG2 H 1.718 0.02 2 1098 157 157 ARG HG3 H 1.288 0.02 2 1099 157 157 ARG HD2 H 2.834 0.02 2 1100 157 157 ARG HD3 H 2.961 0.02 2 1101 157 157 ARG HE H 6.795 0.02 1 1102 157 157 ARG HH12 H 6.795 0.02 2 1103 157 157 ARG HH21 H 8.329 0.02 2 1104 157 157 ARG CA C 54.793 0.2 1 1105 157 157 ARG CB C 34.607 0.2 1 1106 157 157 ARG CG C 27.213 0.2 1 1107 157 157 ARG CD C 44.225 0.2 1 1108 157 157 ARG N N 115.98 0.2 1 1109 157 157 ARG NE N 81.35 0.2 1 1110 157 157 ARG NH1 N 79.671 0.2 2 1111 158 158 GLY H H 8.344 0.02 1 1112 158 158 GLY HA2 H 4.099 0.02 2 1113 158 158 GLY HA3 H 3.943 0.02 2 1114 158 158 GLY CA C 45.611 0.2 1 1115 158 158 GLY N N 106.901 0.2 1 1116 159 159 THR H H 8.228 0.02 1 1117 159 159 THR CA C 63.319 0.2 1 1118 159 159 THR CB C 69.87 0.2 1 1119 159 159 THR N N 116.699 0.2 1 1120 160 160 TYR H H 8.782 0.02 1 1121 160 160 TYR HA H 5.354 0.02 1 1122 160 160 TYR HB2 H 2.606 0.02 2 1123 160 160 TYR HB3 H 2.864 0.02 2 1124 160 160 TYR HD1 H 6.781 0.02 3 1125 160 160 TYR HD2 H 6.781 0.02 3 1126 160 160 TYR HE1 H 6.245 0.02 3 1127 160 160 TYR HE2 H 6.245 0.02 3 1128 160 160 TYR CA C 57.629 0.2 1 1129 160 160 TYR CB C 43.854 0.2 1 1130 160 160 TYR CD2 C 133.671 0.2 3 1131 160 160 TYR CE2 C 117.2 0.2 3 1132 160 160 TYR N N 123.979 0.2 1 1133 161 161 THR H H 9.096 0.02 1 1134 161 161 THR HA H 5.509 0.02 1 1135 161 161 THR HB H 3.463 0.02 1 1136 161 161 THR HG2 H 0.838 0.02 1 1137 161 161 THR CA C 61.354 0.2 1 1138 161 161 THR CB C 73.921 0.2 1 1139 161 161 THR CG2 C 21.324 0.2 1 1140 161 161 THR N N 115.752 0.2 1 1141 162 162 CYS H H 8.58 0.02 1 1142 162 162 CYS HA H 4.533 0.02 1 1143 162 162 CYS HB2 H 0.637 0.02 2 1144 162 162 CYS HB3 H 1.819 0.02 2 1145 162 162 CYS CA C 52.737 0.2 1 1146 162 162 CYS CB C 43.843 0.2 1 1147 162 162 CYS N N 119.476 0.2 1 1148 163 163 GLN H H 9.218 0.02 1 1149 163 163 GLN HA H 4.948 0.02 1 1150 163 163 GLN CA C 55.216 0.2 1 1151 163 163 GLN CB C 33.242 0.2 1 1152 163 163 GLN N N 120.977 0.2 1 1153 164 164 ARG H H 8.546 0.02 1 1154 164 164 ARG HA H 4.218 0.02 1 1155 164 164 ARG HB2 H 2.026 0.02 2 1156 164 164 ARG HG3 H 1.016 0.02 2 1157 164 164 ARG CA C 57.103 0.2 1 1158 164 164 ARG CB C 32.737 0.2 1 1159 164 164 ARG CG C 27.149 0.2 1 1160 164 164 ARG N N 123.963 0.2 1 1161 165 165 ASP H H 8.04 0.02 1 1162 165 165 ASP HA H 4.669 0.02 1 1163 165 165 ASP HB2 H 2.756 0.02 2 1164 165 165 ASP CA C 53.932 0.2 1 1165 165 165 ASP CB C 41.643 0.2 1 1166 165 165 ASP N N 115.195 0.2 1 1167 166 166 GLU H H 8.745 0.02 1 1168 166 166 GLU HA H 3.749 0.02 1 1169 166 166 GLU HB2 H 1.836 0.02 2 1170 166 166 GLU HB3 H 2.061 0.02 2 1171 166 166 GLU CA C 59.194 0.2 1 1172 166 166 GLU CB C 29.486 0.2 1 1173 166 166 GLU N N 113.922 0.2 1 1174 167 167 ASN H H 8.54 0.02 1 1175 167 167 ASN HA H 4.6 0.02 1 1176 167 167 ASN HB2 H 2.667 0.02 2 1177 167 167 ASN HB3 H 2.667 0.02 2 1178 167 167 ASN CA C 54.283 0.2 1 1179 167 167 ASN CB C 40.577 0.2 1 1180 167 167 ASN N N 113.556 0.2 1 1181 168 168 VAL H H 7.818 0.02 1 1182 168 168 VAL HA H 3.942 0.02 1 1183 168 168 VAL HB H 1.764 0.02 1 1184 168 168 VAL HG1 H 0.404 0.02 2 1185 168 168 VAL HG2 H 0.72 0.02 2 1186 168 168 VAL CA C 63.171 0.2 1 1187 168 168 VAL CB C 32.901 0.2 1 1188 168 168 VAL CG2 C 21.015 0.2 2 1189 168 168 VAL N N 120.903 0.2 1 1190 169 169 ASN H H 8.104 0.02 1 1191 169 169 ASN HA H 4.963 0.02 1 1192 169 169 ASN HB2 H 2.254 0.02 2 1193 169 169 ASN HB3 H 2.62 0.02 2 1194 169 169 ASN CA C 52.727 0.2 1 1195 169 169 ASN CB C 42.24 0.2 1 1196 169 169 ASN N N 120.789 0.2 1 1197 170 170 SER H H 8.104 0.02 1 1198 170 170 SER HA H 4.505 0.02 1 1199 170 170 SER HB2 H 3.387 0.02 2 1200 170 170 SER HB3 H 3.435 0.02 2 1201 170 170 SER CA C 59.066 0.2 1 1202 170 170 SER CB C 65.677 0.2 1 1203 170 170 SER N N 111.999 0.2 1 1204 171 171 THR H H 8.397 0.02 1 1205 171 171 THR HA H 5.43 0.02 1 1206 171 171 THR HB H 3.684 0.02 1 1207 171 171 THR HG2 H 0.963 0.02 1 1208 171 171 THR CA C 62.194 0.2 1 1209 171 171 THR CB C 72.22 0.2 1 1210 171 171 THR CG2 C 21.989 0.2 1 1211 171 171 THR N N 121.052 0.2 1 1212 172 172 LEU H H 9.515 0.02 1 1213 172 172 LEU HA H 4.718 0.02 1 1214 172 172 LEU HB2 H 1.394 0.02 2 1215 172 172 LEU HB3 H 2.025 0.02 2 1216 172 172 LEU HG H 0.905 0.02 1 1217 172 172 LEU HD1 H 0.55 0.02 2 1218 172 172 LEU HD2 H 0.781 0.02 2 1219 172 172 LEU CA C 54.832 0.2 1 1220 172 172 LEU CB C 48.599 0.2 1 1221 172 172 LEU CG C 21.668 0.2 1 1222 172 172 LEU CD1 C 26.288 0.2 2 1223 172 172 LEU CD2 C 23.821 0.2 2 1224 172 172 LEU N N 130.063 0.2 1 1225 173 173 HIS HD1 H 5.533 0.02 1 1226 173 173 HIS CB C 27.207 0.2 1 1227 173 173 HIS ND1 N 194.577 0.2 1 1228 176 176 TYR H H 7.851 0.02 1 1229 176 176 TYR HA H 4.886 0.02 1 1230 176 176 TYR HB2 H 3.182 0.02 2 1231 176 176 TYR HB3 H 2.667 0.02 2 1232 176 176 TYR HD1 H 7.024 0.02 1 1233 176 176 TYR HD2 H 7.024 0.02 1 1234 176 176 TYR CA C 57.628 0.2 1 1235 176 176 TYR CB C 40.201 0.2 1 1236 176 176 TYR N N 130.457 0.2 1 1237 177 177 ARG H H 8.591 0.02 1 1238 177 177 ARG HA H 4.211 0.02 1 1239 177 177 ARG HB2 H 1.702 0.02 2 1240 177 177 ARG HB3 H 1.702 0.02 2 1241 177 177 ARG CA C 55.855 0.2 1 1242 177 177 ARG CB C 31.076 0.2 1 1243 177 177 ARG N N 123.397 0.2 1 1244 178 178 MET H H 9.789 0.02 1 1245 178 178 MET CA C 56.416 0.2 1 1246 178 178 MET CB C 32.83 0.2 1 1247 178 178 MET N N 132.799 0.2 1 stop_ save_