data_27305 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical Shift Assignments of Retinal Degeneration 3 Protein (RD3) ; _BMRB_accession_number 27305 _BMRB_flat_file_name bmr27305.str _Entry_type original _Submission_date 2017-11-07 _Accession_date 2017-11-07 _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 Ames James B. . 2 Lim Sunghyuk . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 743 "13C chemical shifts" 521 "15N chemical shifts" 142 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-06-06 update author 'update assignment, etc.' 2018-05-25 update BMRB 'update entry citation' 2018-01-22 original author 'original release' stop_ _Original_release_date 2017-11-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Chemical shift assignments of retinal degeneration 3 protein (RD3) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29327102 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lim Sunghyuk . . 2 Cudia Diana . . 3 Peshenko Igor . . 4 Dizhoor Alexander M. . 5 Ames James B. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 12 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 167 _Page_last 170 _Year 2018 _Details . loop_ _Keyword GCAP RD3 RetGC stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RD3 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RD3 monomer' $RD3 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'a single polypeptide chain' save_ ######################## # Monomeric polymers # ######################## save_RD3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RD3 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 143 _Mol_residue_sequence ; ARSPAEMVLETLMMELTGQM REAERQQRERSNAVRKVCTG VDYSWLASTPDSTYDLSPIE RLQLEDVCVKIHPSYCGPAI LRFRQLLAEQEPEVQEVSQL FRSVLQEVLERMKQEEEAHK LTRQWSLRPRGSLATFETEA EID ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 18 ALA 2 19 ARG 3 20 SER 4 21 PRO 5 22 ALA 6 23 GLU 7 24 MET 8 25 VAL 9 26 LEU 10 27 GLU 11 28 THR 12 29 LEU 13 30 MET 14 31 MET 15 32 GLU 16 33 LEU 17 34 THR 18 35 GLY 19 36 GLN 20 37 MET 21 38 ARG 22 39 GLU 23 40 ALA 24 41 GLU 25 42 ARG 26 43 GLN 27 44 GLN 28 45 ARG 29 46 GLU 30 47 ARG 31 48 SER 32 49 ASN 33 50 ALA 34 51 VAL 35 52 ARG 36 53 LYS 37 54 VAL 38 55 CYS 39 56 THR 40 57 GLY 41 58 VAL 42 59 ASP 43 60 TYR 44 61 SER 45 62 TRP 46 63 LEU 47 64 ALA 48 65 SER 49 66 THR 50 67 PRO 51 68 ASP 52 69 SER 53 70 THR 54 71 TYR 55 72 ASP 56 73 LEU 57 74 SER 58 75 PRO 59 76 ILE 60 77 GLU 61 78 ARG 62 79 LEU 63 80 GLN 64 81 LEU 65 82 GLU 66 83 ASP 67 84 VAL 68 85 CYS 69 86 VAL 70 87 LYS 71 88 ILE 72 89 HIS 73 90 PRO 74 91 SER 75 92 TYR 76 93 CYS 77 94 GLY 78 95 PRO 79 96 ALA 80 97 ILE 81 98 LEU 82 99 ARG 83 100 PHE 84 101 ARG 85 102 GLN 86 103 LEU 87 104 LEU 88 105 ALA 89 106 GLU 90 107 GLN 91 108 GLU 92 109 PRO 93 110 GLU 94 111 VAL 95 112 GLN 96 113 GLU 97 114 VAL 98 115 SER 99 116 GLN 100 117 LEU 101 118 PHE 102 119 ARG 103 120 SER 104 121 VAL 105 122 LEU 106 123 GLN 107 124 GLU 108 125 VAL 109 126 LEU 110 127 GLU 111 128 ARG 112 129 MET 113 130 LYS 114 131 GLN 115 132 GLU 116 133 GLU 117 134 GLU 118 135 ALA 119 136 HIS 120 137 LYS 121 138 LEU 122 139 THR 123 140 ARG 124 141 GLN 125 142 TRP 126 143 SER 127 144 LEU 128 145 ARG 129 146 PRO 130 147 ARG 131 148 GLY 132 149 SER 133 150 LEU 134 151 ALA 135 152 THR 136 153 PHE 137 154 GLU 138 155 THR 139 156 GLU 140 157 ALA 141 158 GLU 142 159 ILE 143 160 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 $RD3 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 $RD3 'recombinant technology' . Escherichia coli . pET-11d stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling TRIS 5 mM '[U-99% 2H]' DTT 3 mM '[U-99% 2H]' 'sodium azide' 0.04 '% w/v' 'natural abundance' EDTA 50 uM '[U-99% 2H]' $RD3 0.9 mM '[U-99% 13C; U-99% 15N]' stop_ save_ save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling TRIS 5 mM '[U-99% 2H]' DTT 3 mM '[U-99% 2H]' 'sodium azide' 0.04 '% w/v' 'natural abundance' EDTA 50 uM '[U-99% 2H]' $RD3 0.9 mM '[U-99% 15N]' 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_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _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_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 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_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _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_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_H(CC)(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CC)(CO)NH' _Sample_label $sample_2 save_ save_3D_(H)CC(CO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CC(CO)NH' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 4 . mM pH 7.4 . pH pressure 1 . atm temperature 273 . 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 water C 13 protons ppm 0 internal indirect . . . 0.251449530 water H 1 protons ppm 4.795 internal direct . . . 1.0 water N 15 protons ppm 0 internal 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_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '3D HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D H(CC)(CO)NH' '3D (H)CC(CO)NH' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RD3 monomer' _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 18 1 ALA HA H 4.06 0 1 2 18 1 ALA HB H 1.501 0.001 1 3 18 1 ALA CA C 51.908 0.002 1 4 18 1 ALA CB C 19.908 0.005 1 5 19 2 ARG HA H 4.48 0.004 1 6 19 2 ARG HB2 H 1.862 0 2 7 19 2 ARG HB3 H 1.752 0 2 8 19 2 ARG HG2 H 1.699 0.004 2 9 19 2 ARG HG3 H 1.699 0.004 2 10 19 2 ARG HD2 H 3.165 0 2 11 19 2 ARG HD3 H 3.165 0 2 12 19 2 ARG C C 175.815 0 1 13 19 2 ARG CA C 56.02 0.04 1 14 19 2 ARG CB C 31.445 0.037 1 15 19 2 ARG CD C 43.639 0 1 16 20 3 SER H H 8.804 0.006 1 17 20 3 SER HA H 4.771 0.028 1 18 20 3 SER HB2 H 3.972 0 2 19 20 3 SER HB3 H 3.972 0 2 20 20 3 SER CA C 56.565 0.048 1 21 20 3 SER CB C 63.562 0 1 22 20 3 SER N N 119.868 0.064 1 23 21 4 PRO HA H 4.314 0.006 1 24 21 4 PRO HB2 H 2.316 0.002 2 25 21 4 PRO HB3 H 1.993 0.001 2 26 21 4 PRO C C 178.442 0 1 27 21 4 PRO CA C 65.772 0.022 1 28 21 4 PRO CB C 31.782 0.002 1 29 22 5 ALA H H 8.03 0.011 1 30 22 5 ALA HA H 4.336 0.011 1 31 22 5 ALA HB H 1.452 0.009 1 32 22 5 ALA C C 179.571 0 1 33 22 5 ALA CA C 54.956 0.038 1 34 22 5 ALA CB C 18.827 0.019 1 35 22 5 ALA N N 118.803 0.065 1 36 23 6 GLU H H 7.653 0.013 1 37 23 6 GLU HA H 3.96 0.004 1 38 23 6 GLU HB2 H 2.306 0 2 39 23 6 GLU HB3 H 2.306 0 2 40 23 6 GLU HG2 H 2.059 0 2 41 23 6 GLU HG3 H 2.059 0 2 42 23 6 GLU C C 180.591 0 1 43 23 6 GLU CA C 59.107 0.087 1 44 23 6 GLU CB C 30.038 0 1 45 23 6 GLU N N 116.735 0.048 1 46 24 7 MET H H 8.402 0.004 1 47 24 7 MET HE H 2.124 0 1 48 24 7 MET C C 179.061 0 1 49 24 7 MET CA C 58.68 0 1 50 24 7 MET CB C 34.321 0 1 51 24 7 MET CE C 16.885 0.015 1 52 24 7 MET N N 120.693 0.044 1 53 25 8 VAL H H 8.279 0.007 1 54 25 8 VAL HA H 3.617 0.007 1 55 25 8 VAL HB H 2.274 0.013 1 56 25 8 VAL HG1 H 1.008 0.005 1 57 25 8 VAL HG2 H 1.058 0.003 1 58 25 8 VAL C C 177.139 0 1 59 25 8 VAL CA C 67.47 0.039 1 60 25 8 VAL CB C 31.896 0.044 1 61 25 8 VAL CG1 C 22.029 0.063 1 62 25 8 VAL CG2 C 23.495 0.05 1 63 25 8 VAL N N 124.278 0.024 1 64 26 9 LEU H H 8.047 0.006 1 65 26 9 LEU HA H 3.814 0.004 1 66 26 9 LEU HB2 H 2.009 0.004 1 67 26 9 LEU HB3 H 1.614 0.004 1 68 26 9 LEU HG H 1.632 0.008 1 69 26 9 LEU HD1 H 1.048 0.004 1 70 26 9 LEU HD2 H 0.935 0.007 1 71 26 9 LEU C C 179.609 0 1 72 26 9 LEU CA C 59.542 0.02 1 73 26 9 LEU CB C 42.211 0.02 1 74 26 9 LEU CG C 27.556 0.006 1 75 26 9 LEU CD1 C 25.778 0.029 1 76 26 9 LEU CD2 C 25.313 0.036 1 77 26 9 LEU N N 119.891 0.041 1 78 27 10 GLU H H 8.022 0.008 1 79 27 10 GLU HA H 4.002 0 1 80 27 10 GLU HB2 H 2.138 0.018 2 81 27 10 GLU HB3 H 2.138 0.018 2 82 27 10 GLU HG2 H 2.32 0.009 2 83 27 10 GLU HG3 H 2.32 0.009 2 84 27 10 GLU C C 178.921 0 1 85 27 10 GLU CA C 59.651 0.024 1 86 27 10 GLU CB C 30.018 0 1 87 27 10 GLU N N 116.914 0.056 1 88 28 11 THR H H 8.271 0.006 1 89 28 11 THR HA H 3.912 0.018 1 90 28 11 THR HB H 4.315 0.014 1 91 28 11 THR HG2 H 1.261 0.014 1 92 28 11 THR C C 177.26 0 1 93 28 11 THR CA C 67.205 0.066 1 94 28 11 THR CB C 69.395 0.005 1 95 28 11 THR CG2 C 21.562 0 1 96 28 11 THR N N 115.935 0.041 1 97 29 12 LEU H H 8.778 0.01 1 98 29 12 LEU HA H 4.246 0.005 1 99 29 12 LEU HB2 H 1.704 0 2 100 29 12 LEU HB3 H 1.704 0 2 101 29 12 LEU HG H 1.231 0.007 1 102 29 12 LEU HD1 H 0.917 0.008 1 103 29 12 LEU HD2 H 0.917 0.008 1 104 29 12 LEU C C 178.581 0 1 105 29 12 LEU CA C 58.486 0.078 1 106 29 12 LEU CB C 41.878 0 1 107 29 12 LEU CD1 C 25.084 0.014 1 108 29 12 LEU CD2 C 25.084 0.014 1 109 29 12 LEU N N 121.367 0.031 1 110 30 13 MET H H 8.711 0.009 1 111 30 13 MET HA H 3.967 0.001 1 112 30 13 MET HB2 H 2.207 0.008 2 113 30 13 MET HB3 H 2.207 0.008 2 114 30 13 MET HE H 1.958 0.006 1 115 30 13 MET C C 179.255 0 1 116 30 13 MET CA C 56.469 0.058 1 117 30 13 MET CB C 35.138 0 1 118 30 13 MET CE C 16.125 0.014 1 119 30 13 MET N N 116.227 0.04 1 120 31 14 MET H H 7.624 0.011 1 121 31 14 MET HA H 4.376 0 1 122 31 14 MET HB2 H 2.276 0.008 2 123 31 14 MET HB3 H 2.276 0.008 2 124 31 14 MET HG2 H 2.315 0.016 2 125 31 14 MET HG3 H 2.315 0.016 2 126 31 14 MET HE H 2.069 0.001 1 127 31 14 MET C C 178.244 0 1 128 31 14 MET CA C 58.891 0 1 129 31 14 MET CB C 34.383 0 1 130 31 14 MET CE C 16.739 0.011 1 131 31 14 MET N N 122.91 0.025 1 132 32 15 GLU H H 8.029 0.008 1 133 32 15 GLU HA H 4.597 0.008 1 134 32 15 GLU HB2 H 2.092 0 2 135 32 15 GLU HB3 H 2.092 0 2 136 32 15 GLU HG2 H 2.254 0 2 137 32 15 GLU HG3 H 2.254 0 2 138 32 15 GLU C C 179.333 0 1 139 32 15 GLU CA C 59.145 0 1 140 32 15 GLU CB C 27.895 0 1 141 32 15 GLU N N 119.767 0.058 1 142 33 16 LEU H H 8.216 0.012 1 143 33 16 LEU HA H 3.714 0.013 1 144 33 16 LEU HB2 H 1.692 0.012 2 145 33 16 LEU HB3 H 0.194 0.016 2 146 33 16 LEU HG H 1.302 0.007 1 147 33 16 LEU HD1 H 0.527 0.009 1 148 33 16 LEU HD2 H 0.623 0.004 1 149 33 16 LEU C C 178.168 0 1 150 33 16 LEU CA C 59.126 0.023 1 151 33 16 LEU CB C 39.434 0.042 1 152 33 16 LEU CG C 26.978 0 1 153 33 16 LEU CD1 C 23.28 0.029 1 154 33 16 LEU CD2 C 26.732 0.055 1 155 33 16 LEU N N 121.37 0.046 1 156 34 17 THR H H 8.416 0.005 1 157 34 17 THR HA H 3.922 0.007 1 158 34 17 THR HB H 4.288 0.007 1 159 34 17 THR HG2 H 1.296 0.006 1 160 34 17 THR C C 177.389 0 1 161 34 17 THR CA C 66.918 0.037 1 162 34 17 THR CB C 68.941 0.132 1 163 34 17 THR CG2 C 21.628 0.01 1 164 34 17 THR N N 112.946 0.042 1 165 35 18 GLY H H 8.399 0.006 1 166 35 18 GLY HA2 H 4.024 0.005 2 167 35 18 GLY HA3 H 3.83 0 2 168 35 18 GLY C C 177.332 0 1 169 35 18 GLY CA C 47.24 0.065 1 170 35 18 GLY N N 109.742 0.034 1 171 36 19 GLN H H 8.45 0.008 1 172 36 19 GLN HA H 4.605 0.008 1 173 36 19 GLN HB2 H 2.115 0.007 2 174 36 19 GLN HB3 H 2.115 0.007 2 175 36 19 GLN HG2 H 2.152 0.009 2 176 36 19 GLN HG3 H 2.152 0.009 2 177 36 19 GLN HE21 H 8.01 0.01 2 178 36 19 GLN HE22 H 6.717 0.016 2 179 36 19 GLN C C 180.614 0 1 180 36 19 GLN CA C 57.487 0.016 1 181 36 19 GLN CB C 26.342 0 1 182 36 19 GLN CD C 178.865 0 1 183 36 19 GLN N N 120.353 0.034 1 184 36 19 GLN NE2 N 110.028 0.068 1 185 37 20 MET H H 8.826 0.012 1 186 37 20 MET HA H 3.99 0.014 1 187 37 20 MET HB2 H 2.328 0.01 2 188 37 20 MET HB3 H 2.328 0.01 2 189 37 20 MET HG2 H 2.472 0.017 2 190 37 20 MET HG3 H 2.472 0.017 2 191 37 20 MET HE H 2.197 0.007 1 192 37 20 MET C C 177.38 0 1 193 37 20 MET CA C 60.916 0.079 1 194 37 20 MET CB C 33.802 0 1 195 37 20 MET CE C 16.703 0.01 1 196 37 20 MET N N 122.702 0.045 1 197 38 21 ARG H H 7.958 0.005 1 198 38 21 ARG HA H 4.264 0 1 199 38 21 ARG HB2 H 1.859 0 2 200 38 21 ARG HB3 H 1.859 0 2 201 38 21 ARG HD2 H 3.292 0.013 2 202 38 21 ARG HD3 H 3.292 0.013 2 203 38 21 ARG C C 180.012 0 1 204 38 21 ARG CA C 59.106 0.011 1 205 38 21 ARG CB C 29.907 0 1 206 38 21 ARG CD C 43.527 0 1 207 38 21 ARG N N 117.931 0.064 1 208 39 22 GLU H H 7.997 0.005 1 209 39 22 GLU HA H 4.395 0.01 1 210 39 22 GLU HB2 H 2.086 0.005 2 211 39 22 GLU HB3 H 2.086 0.005 2 212 39 22 GLU HG2 H 2.168 0 2 213 39 22 GLU HG3 H 2.168 0 2 214 39 22 GLU C C 178.029 0 1 215 39 22 GLU CA C 58.358 0.074 1 216 39 22 GLU N N 120.715 0.065 1 217 40 23 ALA H H 8.206 0.009 1 218 40 23 ALA HA H 4.219 0.003 1 219 40 23 ALA HB H 1.445 0.01 1 220 40 23 ALA C C 180.652 0 1 221 40 23 ALA CA C 55.086 0.038 1 222 40 23 ALA CB C 17.638 0.021 1 223 40 23 ALA N N 122.938 0.039 1 224 41 24 GLU H H 8.153 0.007 1 225 41 24 GLU CA C 59.79 0.038 1 226 41 24 GLU CB C 29.89 0 1 227 41 24 GLU N N 119.349 0.046 1 228 42 25 ARG C C 178.338 0 1 229 43 26 GLN H H 8.058 0.007 1 230 43 26 GLN HA H 3.963 0.001 1 231 43 26 GLN HB2 H 2.015 0 2 232 43 26 GLN HB3 H 2.015 0 2 233 43 26 GLN HG2 H 2.274 0 2 234 43 26 GLN HG3 H 2.274 0 2 235 43 26 GLN HE21 H 7.617 0 2 236 43 26 GLN HE22 H 6.77 0 2 237 43 26 GLN C C 179.103 0 1 238 43 26 GLN CA C 59.828 0.004 1 239 43 26 GLN CB C 29.848 0 1 240 43 26 GLN N N 120.873 0.043 1 241 43 26 GLN NE2 N 111.32 0.043 1 242 44 27 GLN H H 8.426 0.009 1 243 44 27 GLN HA H 3.987 0 1 244 44 27 GLN HB2 H 2.109 0 2 245 44 27 GLN HB3 H 2.109 0 2 246 44 27 GLN HG2 H 2.306 0 2 247 44 27 GLN HG3 H 2.306 0 2 248 44 27 GLN C C 178.667 0 1 249 44 27 GLN CA C 58.911 0.069 1 250 44 27 GLN CB C 28.59 0 1 251 44 27 GLN N N 117.963 0.037 1 252 45 28 ARG H H 8.135 0.01 1 253 45 28 ARG HB2 H 2.255 0 2 254 45 28 ARG HB3 H 2.255 0 2 255 45 28 ARG HD2 H 3.22 0 2 256 45 28 ARG HD3 H 3.22 0 2 257 45 28 ARG C C 178.808 0 1 258 45 28 ARG CA C 58.819 0.157 1 259 45 28 ARG CB C 28.447 0 1 260 45 28 ARG N N 119.313 0.091 1 261 46 29 GLU H H 8.306 0.006 1 262 46 29 GLU HA H 4.154 0.018 1 263 46 29 GLU HB2 H 2.144 0.029 2 264 46 29 GLU HB3 H 2.144 0.029 2 265 46 29 GLU HG2 H 2.445 0.059 2 266 46 29 GLU HG3 H 2.445 0.059 2 267 46 29 GLU C C 178.808 0 1 268 46 29 GLU CA C 58.758 0.056 1 269 46 29 GLU CB C 29.427 0.124 1 270 46 29 GLU N N 119.964 0.028 1 271 47 30 ARG H H 8.037 0.006 1 272 47 30 ARG HA H 4.033 0 1 273 47 30 ARG HB2 H 1.942 0.004 2 274 47 30 ARG HB3 H 1.942 0.004 2 275 47 30 ARG HG2 H 1.664 0.002 2 276 47 30 ARG HG3 H 1.664 0.002 2 277 47 30 ARG HD2 H 3.206 0.007 2 278 47 30 ARG HD3 H 3.206 0.007 2 279 47 30 ARG C C 178.105 0 1 280 47 30 ARG CA C 58.544 0.015 1 281 47 30 ARG CB C 30.455 0 1 282 47 30 ARG N N 119.582 0.098 1 283 48 31 SER H H 8.117 0.012 1 284 48 31 SER HA H 4.37 0.007 1 285 48 31 SER HB2 H 4.025 0 2 286 48 31 SER HB3 H 3.99 0.009 2 287 48 31 SER C C 175.554 0 1 288 48 31 SER CA C 60.157 0.017 1 289 48 31 SER CB C 63.426 0.02 1 290 48 31 SER N N 114.92 0.053 1 291 49 32 ASN H H 8.242 0.01 1 292 49 32 ASN HA H 4.617 0.009 1 293 49 32 ASN HB2 H 2.868 0.011 2 294 49 32 ASN HB3 H 2.868 0.011 2 295 49 32 ASN HD21 H 7.649 0.003 2 296 49 32 ASN HD22 H 6.917 0.003 2 297 49 32 ASN C C 175.828 0 1 298 49 32 ASN CA C 54.445 0.027 1 299 49 32 ASN CB C 38.484 0.071 1 300 49 32 ASN CG C 176.582 0.009 1 301 49 32 ASN N N 120.026 0.017 1 302 49 32 ASN ND2 N 112.5 0.035 1 303 50 33 ALA H H 7.964 0.008 1 304 50 33 ALA HA H 4.265 0.001 1 305 50 33 ALA HB H 1.487 0.003 1 306 50 33 ALA C C 178.543 0 1 307 50 33 ALA CA C 53.83 0.012 1 308 50 33 ALA CB C 18.944 0.033 1 309 50 33 ALA N N 122.591 0.045 1 310 51 34 VAL H H 7.781 0.005 1 311 51 34 VAL HA H 4.055 0.009 1 312 51 34 VAL HB H 2.157 0.009 1 313 51 34 VAL HG1 H 0.962 0.006 1 314 51 34 VAL HG2 H 1.014 0.007 1 315 51 34 VAL C C 176.51 0 1 316 51 34 VAL CA C 63.168 0.014 1 317 51 34 VAL CB C 32.411 0.013 1 318 51 34 VAL CG1 C 21.224 0.027 1 319 51 34 VAL CG2 C 20.994 0.023 1 320 51 34 VAL N N 117.083 0.037 1 321 52 35 ARG H H 8.065 0.007 1 322 52 35 ARG HA H 4.274 0.01 1 323 52 35 ARG HB2 H 1.813 0.012 2 324 52 35 ARG HB3 H 1.813 0.012 2 325 52 35 ARG HG2 H 1.674 0.014 2 326 52 35 ARG HG3 H 1.674 0.014 2 327 52 35 ARG HD2 H 3.13 0.015 2 328 52 35 ARG HD3 H 3.13 0.015 2 329 52 35 ARG C C 176.343 0 1 330 52 35 ARG CA C 56.669 0.076 1 331 52 35 ARG CB C 30.703 0.038 1 332 52 35 ARG CG C 27.105 0 1 333 52 35 ARG CD C 43.623 0 1 334 52 35 ARG N N 123.017 0.05 1 335 53 36 LYS H H 8.225 0.004 1 336 53 36 LYS HA H 4.288 0.004 1 337 53 36 LYS HB2 H 1.817 0.011 2 338 53 36 LYS HB3 H 1.817 0.011 2 339 53 36 LYS HG2 H 1.411 0.013 2 340 53 36 LYS HG3 H 1.411 0.013 2 341 53 36 LYS HD2 H 1.669 0.012 2 342 53 36 LYS HD3 H 1.669 0.012 2 343 53 36 LYS HE2 H 2.963 0.003 2 344 53 36 LYS HE3 H 2.963 0.003 2 345 53 36 LYS C C 176.635 0 1 346 53 36 LYS CA C 56.816 0.013 1 347 53 36 LYS CB C 33.014 0.053 1 348 53 36 LYS CG C 24.942 0.025 1 349 53 36 LYS CD C 29.187 0.039 1 350 53 36 LYS CE C 42.182 0.005 1 351 53 36 LYS N N 122.077 0.029 1 352 54 37 VAL H H 8.051 0.005 1 353 54 37 VAL HA H 4.141 0.01 1 354 54 37 VAL HB H 2.122 0.005 1 355 54 37 VAL HG1 H 0.942 0.004 1 356 54 37 VAL HG2 H 0.966 0.001 1 357 54 37 VAL C C 176.141 0 1 358 54 37 VAL CA C 62.571 0.032 1 359 54 37 VAL CB C 32.797 0.023 1 360 54 37 VAL CG1 C 21.29 0.004 1 361 54 37 VAL CG2 C 20.689 0.027 1 362 54 37 VAL N N 120.104 0.057 1 363 55 38 CYS H H 8.412 0.005 1 364 55 38 CYS HA H 4.56 0.003 1 365 55 38 CYS HB2 H 2.911 0.002 2 366 55 38 CYS HB3 H 2.911 0.002 2 367 55 38 CYS C C 174.775 0 1 368 55 38 CYS CA C 58.886 0.017 1 369 55 38 CYS CB C 28.152 0.01 1 370 55 38 CYS N N 122.832 0.078 1 371 56 39 THR H H 8.266 0 1 372 56 39 THR HA H 4.384 0.001 1 373 56 39 THR HB H 4.292 0.01 1 374 56 39 THR HG2 H 1.217 0.003 1 375 56 39 THR C C 174.956 0 1 376 56 39 THR CA C 62.143 0.016 1 377 56 39 THR CB C 69.869 0.082 1 378 56 39 THR CG2 C 21.622 0.032 1 379 56 39 THR N N 115.602 0 1 380 57 40 GLY H H 8.465 0.005 1 381 57 40 GLY HA2 H 4.06 0 2 382 57 40 GLY HA3 H 3.941 0 2 383 57 40 GLY C C 173.914 0 1 384 57 40 GLY CA C 45.397 0.002 1 385 57 40 GLY N N 111.527 0 1 386 58 41 VAL H H 7.881 0.006 1 387 58 41 VAL HA H 4.064 0.006 1 388 58 41 VAL HB H 1.972 0.005 1 389 58 41 VAL HG1 H 0.758 0.006 1 390 58 41 VAL HG2 H 0.844 0.002 1 391 58 41 VAL C C 175.224 0 1 392 58 41 VAL CA C 62.151 0.038 1 393 58 41 VAL CB C 32.978 0.013 1 394 58 41 VAL CG1 C 21.106 0.008 1 395 58 41 VAL CG2 C 20.432 0.017 1 396 58 41 VAL N N 119.039 0.052 1 397 59 42 ASP H H 8.261 0.006 1 398 59 42 ASP HA H 4.587 0.008 1 399 59 42 ASP HB2 H 2.67 0.004 2 400 59 42 ASP HB3 H 2.56 0.002 2 401 59 42 ASP C C 175.84 0 1 402 59 42 ASP CA C 53.954 0.015 1 403 59 42 ASP CB C 41.357 0.061 1 404 59 42 ASP N N 123.279 0.023 1 405 60 43 TYR H H 8.152 0.004 1 406 60 43 TYR HA H 4.382 0.004 1 407 60 43 TYR HB2 H 2.913 0.015 2 408 60 43 TYR HB3 H 2.757 0.021 2 409 60 43 TYR HD1 H 7.031 0.012 3 410 60 43 TYR HD2 H 7.031 0.012 3 411 60 43 TYR HE1 H 6.815 0.011 3 412 60 43 TYR HE2 H 6.815 0.011 3 413 60 43 TYR C C 176.361 0 1 414 60 43 TYR CA C 58.24 0.035 1 415 60 43 TYR CB C 38.287 0.062 1 416 60 43 TYR N N 121.566 0.029 1 417 61 44 SER H H 8.352 0.004 1 418 61 44 SER HA H 4.272 0.006 1 419 61 44 SER HB2 H 3.848 0.004 2 420 61 44 SER HB3 H 3.848 0.004 2 421 61 44 SER C C 174.615 0 1 422 61 44 SER CA C 59.787 0.034 1 423 61 44 SER CB C 63.443 0.009 1 424 61 44 SER N N 117.635 0.05 1 425 62 45 TRP H H 7.818 0.01 1 426 62 45 TRP HA H 4.609 0.01 1 427 62 45 TRP HB2 H 3.307 0.006 2 428 62 45 TRP HB3 H 3.307 0.006 2 429 62 45 TRP HD1 H 7.276 0.013 1 430 62 45 TRP HE1 H 10.184 0.003 1 431 62 45 TRP HE3 H 7.594 0.009 1 432 62 45 TRP HZ2 H 7.443 0 1 433 62 45 TRP C C 176.211 0 1 434 62 45 TRP CA C 57.54 0.055 1 435 62 45 TRP CB C 28.977 0.03 1 436 62 45 TRP CD1 C 127.406 0.211 1 437 62 45 TRP CE2 C 138.925 0 1 438 62 45 TRP N N 122.061 0.037 1 439 62 45 TRP NE1 N 129.92 0.037 1 440 63 46 LEU H H 7.593 0.006 1 441 63 46 LEU HA H 4.137 0.004 1 442 63 46 LEU HB2 H 1.422 0.007 2 443 63 46 LEU HB3 H 1.422 0.007 2 444 63 46 LEU HG H 1.202 0.009 1 445 63 46 LEU HD1 H 0.801 0.002 1 446 63 46 LEU HD2 H 0.727 0.002 1 447 63 46 LEU C C 176.821 0 1 448 63 46 LEU CA C 55.303 0.046 1 449 63 46 LEU CB C 42.49 0.028 1 450 63 46 LEU CG C 26.778 0.073 1 451 63 46 LEU CD1 C 25.103 0.057 1 452 63 46 LEU CD2 C 23.691 0.028 1 453 63 46 LEU N N 123.006 0.049 1 454 64 47 ALA H H 7.945 0.005 1 455 64 47 ALA HA H 4.259 0.008 1 456 64 47 ALA HB H 1.386 0.004 1 457 64 47 ALA C C 177.553 0 1 458 64 47 ALA CA C 52.638 0.028 1 459 64 47 ALA CB C 19.263 0.045 1 460 64 47 ALA N N 123.645 0.051 1 461 65 48 SER H H 8.081 0.004 1 462 65 48 SER HA H 4.479 0.007 1 463 65 48 SER HB2 H 3.866 0.007 2 464 65 48 SER HB3 H 3.866 0.007 2 465 65 48 SER C C 174.203 0 1 466 65 48 SER CA C 58.279 0.012 1 467 65 48 SER CB C 63.879 0 1 468 65 48 SER N N 114.389 0.066 1 469 66 49 THR H H 8.097 0.004 1 470 66 49 THR HA H 4.656 0.021 1 471 66 49 THR HB H 4.2 0.01 1 472 66 49 THR HG2 H 1.241 0.011 1 473 66 49 THR CA C 59.767 0.051 1 474 66 49 THR CB C 69.671 0.039 1 475 66 49 THR CG2 C 21.559 0.056 1 476 66 49 THR N N 117.458 0.048 1 477 67 50 PRO HA H 4.428 0.005 1 478 67 50 PRO HB2 H 2.289 0.004 2 479 67 50 PRO HB3 H 1.951 0.01 2 480 67 50 PRO HG2 H 2.004 0.012 2 481 67 50 PRO HG3 H 2.004 0.012 2 482 67 50 PRO HD2 H 3.822 0.002 2 483 67 50 PRO HD3 H 3.709 0.002 2 484 67 50 PRO C C 176.529 0 1 485 67 50 PRO CA C 63.463 0.026 1 486 67 50 PRO CB C 32.102 0.016 1 487 67 50 PRO CG C 27.404 0.026 1 488 67 50 PRO CD C 51.012 0.037 1 489 68 51 ASP H H 8.38 0.003 1 490 68 51 ASP HA H 4.596 0.006 1 491 68 51 ASP HB2 H 2.711 0 2 492 68 51 ASP HB3 H 2.622 0 2 493 68 51 ASP C C 176.067 0 1 494 68 51 ASP CA C 54.541 0.014 1 495 68 51 ASP CB C 41.199 0.025 1 496 68 51 ASP N N 119.985 0.047 1 497 69 52 SER H H 8.146 0.004 1 498 69 52 SER HA H 4.521 0.009 1 499 69 52 SER HB2 H 3.87 0.011 2 500 69 52 SER HB3 H 3.87 0.011 2 501 69 52 SER C C 174.206 0 1 502 69 52 SER CA C 58.293 0.019 1 503 69 52 SER CB C 64.102 0.004 1 504 69 52 SER N N 115.894 0.041 1 505 70 53 THR H H 8.394 0.003 1 506 70 53 THR HA H 4.477 0.004 1 507 70 53 THR HB H 4.15 0.009 1 508 70 53 THR HG2 H 1.129 0.016 1 509 70 53 THR C C 173.897 0 1 510 70 53 THR CA C 61.715 0.027 1 511 70 53 THR CB C 70.401 0.06 1 512 70 53 THR CG2 C 21.474 0.055 1 513 70 53 THR N N 116.584 0.051 1 514 71 54 TYR H H 9.01 0.011 1 515 71 54 TYR HA H 4.383 0.004 1 516 71 54 TYR HB2 H 2.869 0.017 2 517 71 54 TYR HB3 H 2.869 0.017 2 518 71 54 TYR HD1 H 6.974 0.024 3 519 71 54 TYR HD2 H 6.974 0.024 3 520 71 54 TYR HE1 H 6.806 0.018 3 521 71 54 TYR HE2 H 6.806 0.018 3 522 71 54 TYR C C 173.926 0 1 523 71 54 TYR CA C 58.796 0.048 1 524 71 54 TYR CB C 39.565 0.045 1 525 71 54 TYR CE1 C 118.127 0.013 3 526 71 54 TYR CE2 C 118.127 0.013 3 527 71 54 TYR N N 126.012 0.084 1 528 72 55 ASP H H 7.518 0.007 1 529 72 55 ASP HA H 4.667 0.008 1 530 72 55 ASP HB2 H 2.462 0 2 531 72 55 ASP HB3 H 2.356 0 2 532 72 55 ASP C C 174.784 0 1 533 72 55 ASP CA C 52.529 0.031 1 534 72 55 ASP CB C 43.426 0.005 1 535 72 55 ASP N N 125.175 0.054 1 536 73 56 LEU H H 8.333 0.008 1 537 73 56 LEU HA H 4.244 0.013 1 538 73 56 LEU HB2 H 1.472 0.012 2 539 73 56 LEU HB3 H 1.472 0.012 2 540 73 56 LEU HG H 1.678 0.009 1 541 73 56 LEU HD1 H 0.827 0.007 1 542 73 56 LEU HD2 H 0.883 0.007 1 543 73 56 LEU C C 177.494 0 1 544 73 56 LEU CA C 54.401 0.046 1 545 73 56 LEU CB C 43.27 0.052 1 546 73 56 LEU CG C 26.942 0 1 547 73 56 LEU CD1 C 25.734 0.039 1 548 73 56 LEU CD2 C 23.699 0.041 1 549 73 56 LEU N N 120.66 0.02 1 550 74 57 SER H H 9.148 0.006 1 551 74 57 SER HA H 4.648 0.002 1 552 74 57 SER HB2 H 4.001 0 2 553 74 57 SER HB3 H 4.001 0 2 554 74 57 SER CA C 56.73 0.011 1 555 74 57 SER CB C 62.819 0 1 556 74 57 SER N N 122.628 0.029 1 557 75 58 PRO HA H 4.218 0.003 1 558 75 58 PRO HB2 H 2.036 0.01 2 559 75 58 PRO HB3 H 2.036 0.01 2 560 75 58 PRO C C 179.163 0 1 561 75 58 PRO CA C 65.918 0.014 1 562 75 58 PRO CB C 31.901 0 1 563 76 59 ILE H H 7.642 0.009 1 564 76 59 ILE HA H 3.921 0.01 1 565 76 59 ILE HB H 1.795 0.01 1 566 76 59 ILE HG12 H 1.535 0.012 2 567 76 59 ILE HG13 H 1.291 0.01 2 568 76 59 ILE HG2 H 0.904 0.004 1 569 76 59 ILE HD1 H 0.891 0.002 1 570 76 59 ILE C C 177.56 0 1 571 76 59 ILE CA C 63.583 0.051 1 572 76 59 ILE CB C 37.795 0.058 1 573 76 59 ILE CG1 C 28.964 0.039 1 574 76 59 ILE CG2 C 17.395 0.042 1 575 76 59 ILE CD1 C 12.636 0.026 1 576 76 59 ILE N N 115.753 0.033 1 577 77 60 GLU H H 7.502 0.005 1 578 77 60 GLU HA H 4.047 0.005 1 579 77 60 GLU HB2 H 2.036 0.016 2 580 77 60 GLU HB3 H 2.036 0.016 2 581 77 60 GLU HG2 H 2.281 0 2 582 77 60 GLU HG3 H 2.281 0 2 583 77 60 GLU C C 178.929 0 1 584 77 60 GLU CA C 59.309 0.033 1 585 77 60 GLU CB C 29.862 0 1 586 77 60 GLU N N 122.731 0.04 1 587 78 61 ARG H H 8.623 0.006 1 588 78 61 ARG HA H 3.74 0.008 1 589 78 61 ARG HB2 H 1.862 0.005 2 590 78 61 ARG HB3 H 1.862 0.005 2 591 78 61 ARG HG2 H 1.727 0.014 2 592 78 61 ARG HG3 H 1.727 0.014 2 593 78 61 ARG HD2 H 3.234 0.014 2 594 78 61 ARG HD3 H 3.111 0.006 2 595 78 61 ARG C C 177.622 0 1 596 78 61 ARG CA C 60.688 0.069 1 597 78 61 ARG CB C 29.996 0.015 1 598 78 61 ARG CG C 29.942 0.032 1 599 78 61 ARG CD C 43.09 0 1 600 78 61 ARG N N 118.746 0.033 1 601 79 62 LEU H H 7.872 0.008 1 602 79 62 LEU HA H 4.088 0.009 1 603 79 62 LEU HG H 1.446 0.01 1 604 79 62 LEU HD1 H 0.808 0 1 605 79 62 LEU HD2 H 0.906 0.005 1 606 79 62 LEU CA C 58.324 0.021 1 607 79 62 LEU CB C 42.024 0 1 608 79 62 LEU CD1 C 25.656 0 1 609 79 62 LEU CD2 C 24.086 0.074 1 610 79 62 LEU N N 118.89 0.04 1 611 80 63 GLN H H 7.851 0.006 1 612 80 63 GLN HA H 4.039 0.02 1 613 80 63 GLN HB2 H 2.075 0.005 2 614 80 63 GLN HB3 H 2.075 0.005 2 615 80 63 GLN HG2 H 2.698 0.002 2 616 80 63 GLN HG3 H 2.353 0.032 2 617 80 63 GLN HE21 H 7.354 0.003 2 618 80 63 GLN HE22 H 6.749 0.011 2 619 80 63 GLN C C 179.673 0 1 620 80 63 GLN CA C 58.921 0.064 1 621 80 63 GLN CB C 28.349 0.033 1 622 80 63 GLN CG C 34.061 0 1 623 80 63 GLN CD C 179.976 0.006 1 624 80 63 GLN N N 117.439 0.034 1 625 80 63 GLN NE2 N 110.59 0.026 1 626 81 64 LEU H H 8.173 0.009 1 627 81 64 LEU HA H 4.142 0.005 1 628 81 64 LEU HB2 H 2.235 0.009 2 629 81 64 LEU HB3 H 2.235 0.009 2 630 81 64 LEU HG H 1.999 0.011 1 631 81 64 LEU HD1 H 0.991 0.002 1 632 81 64 LEU HD2 H 0.954 0.011 1 633 81 64 LEU C C 179.717 0 1 634 81 64 LEU CA C 57.813 0.001 1 635 81 64 LEU CD1 C 23.457 0 1 636 81 64 LEU CD2 C 23.463 0 1 637 81 64 LEU N N 119.599 0.048 1 638 82 65 GLU H H 8.917 0.004 1 639 82 65 GLU HA H 3.786 0.013 1 640 82 65 GLU HB2 H 2.052 0.015 2 641 82 65 GLU HB3 H 2.052 0.015 2 642 82 65 GLU HG2 H 2.238 0 2 643 82 65 GLU HG3 H 2.238 0 2 644 82 65 GLU C C 178.323 0 1 645 82 65 GLU CA C 60.878 0.017 1 646 82 65 GLU CB C 29.339 0.013 1 647 82 65 GLU N N 122.574 0.029 1 648 83 66 ASP H H 7.693 0.004 1 649 83 66 ASP HA H 4.4 0.009 1 650 83 66 ASP HB2 H 2.82 0.015 2 651 83 66 ASP HB3 H 2.645 0.012 2 652 83 66 ASP C C 177.479 0 1 653 83 66 ASP CA C 56.921 0.053 1 654 83 66 ASP CB C 41.556 0.069 1 655 83 66 ASP N N 116.476 0.045 1 656 84 67 VAL H H 7.272 0.011 1 657 84 67 VAL HA H 3.8 0.014 1 658 84 67 VAL HB H 2.134 0.007 1 659 84 67 VAL HG1 H 0.9 0.007 1 660 84 67 VAL HG2 H 1.06 0.01 1 661 84 67 VAL C C 177.846 0 1 662 84 67 VAL CA C 65.586 0.029 1 663 84 67 VAL CB C 31.975 0.02 1 664 84 67 VAL CG1 C 23.093 0.037 1 665 84 67 VAL CG2 C 22.031 0.029 1 666 84 67 VAL N N 116.963 0.044 1 667 85 68 CYS H H 8.402 0.003 1 668 85 68 CYS HA H 3.825 0.016 1 669 85 68 CYS HB2 H 3.223 0.015 2 670 85 68 CYS HB3 H 2.539 0.017 2 671 85 68 CYS C C 176.331 0 1 672 85 68 CYS CA C 64.903 0.023 1 673 85 68 CYS CB C 28.238 0.031 1 674 85 68 CYS N N 116.464 0.083 1 675 86 69 VAL H H 7.367 0.004 1 676 86 69 VAL HA H 4.008 0.007 1 677 86 69 VAL HB H 2.297 0.009 1 678 86 69 VAL HG1 H 1.076 0.004 1 679 86 69 VAL HG2 H 1.046 0.002 1 680 86 69 VAL C C 176.877 0 1 681 86 69 VAL CA C 63.822 0.096 1 682 86 69 VAL CB C 31.848 0.092 1 683 86 69 VAL CG1 C 21.429 0.021 1 684 86 69 VAL CG2 C 20.407 0.036 1 685 86 69 VAL N N 107.884 0.025 1 686 87 70 LYS H H 7.566 0.011 1 687 87 70 LYS HA H 4.12 0.019 1 688 87 70 LYS HB2 H 1.668 0.009 2 689 87 70 LYS HB3 H 1.668 0.009 2 690 87 70 LYS C C 176.843 0 1 691 87 70 LYS CA C 56.676 0 1 692 87 70 LYS N N 120.048 0.012 1 693 88 71 ILE H H 7.363 0.01 1 694 88 71 ILE HA H 3.64 0.015 1 695 88 71 ILE HB H 2.207 0.009 1 696 88 71 ILE HG12 H 1.606 0.012 2 697 88 71 ILE HG13 H 1.258 0.014 2 698 88 71 ILE HG2 H 0.837 0.01 1 699 88 71 ILE HD1 H 0.618 0.01 1 700 88 71 ILE C C 174.952 0 1 701 88 71 ILE CA C 60.056 0.021 1 702 88 71 ILE CB C 35.952 0.038 1 703 88 71 ILE CG1 C 27.041 0.06 1 704 88 71 ILE CG2 C 16.805 0.033 1 705 88 71 ILE CD1 C 10.747 0.02 1 706 88 71 ILE N N 119.713 0.029 1 707 89 72 HIS H H 7.115 0.004 1 708 89 72 HIS HA H 4.681 0.01 1 709 89 72 HIS HB2 H 3.316 0.004 2 710 89 72 HIS HB3 H 3.142 0.003 2 711 89 72 HIS HD2 H 7.26 0 1 712 89 72 HIS CA C 56.29 0.003 1 713 89 72 HIS CB C 31.738 0.053 1 714 89 72 HIS N N 128.36 0.035 1 715 90 73 PRO C C 178.93 0 1 716 91 74 SER H H 10.445 0.011 1 717 91 74 SER HA H 4.328 0 1 718 91 74 SER C C 175.181 0 1 719 91 74 SER CA C 61.569 0.006 1 720 91 74 SER CB C 62.875 0 1 721 91 74 SER N N 116.727 0.035 1 722 92 75 TYR H H 8.735 0.009 1 723 92 75 TYR HA H 4.436 0.024 1 724 92 75 TYR HB2 H 3.292 0.016 2 725 92 75 TYR HB3 H 3.292 0.016 2 726 92 75 TYR HD1 H 7.128 0.011 3 727 92 75 TYR HD2 H 7.128 0.011 3 728 92 75 TYR HE1 H 6.72 0.035 3 729 92 75 TYR HE2 H 6.72 0.035 3 730 92 75 TYR C C 175.883 0 1 731 92 75 TYR CA C 59.07 0.025 1 732 92 75 TYR CB C 39.244 0.088 1 733 92 75 TYR N N 119.011 0.036 1 734 93 76 CYS H H 7.648 0.01 1 735 93 76 CYS HA H 3.939 0.009 1 736 93 76 CYS HB2 H 3.108 0.01 2 737 93 76 CYS HB3 H 2.903 0.016 2 738 93 76 CYS C C 174.83 0 1 739 93 76 CYS CA C 64.302 0.048 1 740 93 76 CYS CB C 27.142 0.055 1 741 93 76 CYS N N 121.728 0.054 1 742 94 77 GLY H H 9.125 0.006 1 743 94 77 GLY CA C 48.193 0 1 744 94 77 GLY N N 105.962 0.04 1 745 95 78 PRO HA H 4.058 0 1 746 95 78 PRO HD2 H 3.585 0.005 2 747 95 78 PRO HD3 H 3.585 0.005 2 748 95 78 PRO C C 178.134 0 1 749 95 78 PRO CA C 65.637 0.049 1 750 96 79 ALA H H 8.103 0.009 1 751 96 79 ALA HA H 4 0.007 1 752 96 79 ALA HB H 1.497 0.014 1 753 96 79 ALA CA C 55.429 0.065 1 754 96 79 ALA CB C 17.951 0.054 1 755 96 79 ALA N N 120.726 0.052 1 756 97 80 ILE H H 8.187 0.014 1 757 97 80 ILE HA H 3.709 0.014 1 758 97 80 ILE HB H 2.144 0.012 1 759 97 80 ILE HG2 H 0.952 0.002 1 760 97 80 ILE HD1 H 0.937 0.005 1 761 97 80 ILE C C 177.945 0 1 762 97 80 ILE CA C 66.847 0.059 1 763 97 80 ILE CB C 37.75 0.021 1 764 97 80 ILE CG2 C 16.211 0.012 1 765 97 80 ILE CD1 C 13.897 0.028 1 766 97 80 ILE N N 119.377 0.102 1 767 98 81 LEU H H 8.285 0.01 1 768 98 81 LEU HA H 4.137 0.004 1 769 98 81 LEU HB2 H 1.782 0 2 770 98 81 LEU HB3 H 1.782 0 2 771 98 81 LEU HG H 1.55 0.014 1 772 98 81 LEU HD1 H 0.91 0.011 1 773 98 81 LEU HD2 H 0.91 0.011 1 774 98 81 LEU CA C 58.529 0.021 1 775 98 81 LEU CB C 41.383 0 1 776 98 81 LEU CD1 C 26.151 0.069 1 777 98 81 LEU CD2 C 26.151 0.069 1 778 98 81 LEU N N 119.176 0.048 1 779 100 83 PHE HB2 H 2.873 0.011 2 780 100 83 PHE HB3 H 2.873 0.011 2 781 100 83 PHE HD1 H 7.123 0.02 3 782 100 83 PHE HD2 H 7.123 0.02 3 783 100 83 PHE HE1 H 6.772 0.025 3 784 100 83 PHE HE2 H 6.772 0.025 3 785 100 83 PHE HZ H 7.215 0.022 1 786 101 84 ARG HE H 8.671 0.011 1 787 101 84 ARG CD C 42.734 0 1 788 101 84 ARG NE N 86.735 0 1 789 102 85 GLN HA H 4.085 0.013 1 790 102 85 GLN HB2 H 2.243 0.008 2 791 102 85 GLN HB3 H 2.243 0.008 2 792 102 85 GLN HG2 H 2.533 0.01 2 793 102 85 GLN HG3 H 2.533 0.01 2 794 102 85 GLN HE21 H 7.775 0.009 2 795 102 85 GLN HE22 H 6.759 0.016 2 796 102 85 GLN CA C 58.961 0 1 797 102 85 GLN CB C 28.024 0 1 798 102 85 GLN CG C 33.328 0 1 799 102 85 GLN CD C 180.191 0.015 1 800 102 85 GLN NE2 N 111.969 0.04 1 801 103 86 LEU H H 8.761 0.005 1 802 103 86 LEU HA H 3.704 0.004 1 803 103 86 LEU HB2 H 1.856 0 2 804 103 86 LEU HB3 H 1.856 0 2 805 103 86 LEU HG H 1.221 0.014 1 806 103 86 LEU HD1 H 0.92 0.009 1 807 103 86 LEU HD2 H 0.92 0.009 1 808 103 86 LEU C C 179.673 0 1 809 103 86 LEU CA C 60.485 0.033 1 810 103 86 LEU N N 116.603 0.038 1 811 104 87 LEU H H 8.511 0.009 1 812 104 87 LEU HA H 3.647 0.017 1 813 104 87 LEU HB2 H 1.618 0.013 2 814 104 87 LEU HB3 H 1.261 0.006 2 815 104 87 LEU HG H 1.245 0.01 1 816 104 87 LEU HD1 H -0.047 0.012 1 817 104 87 LEU HD2 H 0.647 0.011 1 818 104 87 LEU C C 179.878 0 1 819 104 87 LEU CA C 58.203 0.047 1 820 104 87 LEU CB C 41.834 0.105 1 821 104 87 LEU CG C 26.344 0.021 1 822 104 87 LEU CD1 C 24.413 0.028 1 823 104 87 LEU CD2 C 23.7 0.012 1 824 104 87 LEU N N 120.256 0.018 1 825 105 88 ALA H H 7.529 0.01 1 826 105 88 ALA HA H 4.135 0.01 1 827 105 88 ALA HB H 1.522 0.012 1 828 105 88 ALA C C 179.321 0 1 829 105 88 ALA CA C 54.362 0.053 1 830 105 88 ALA CB C 18.095 0.037 1 831 105 88 ALA N N 120.807 0.027 1 832 106 89 GLU H H 7.722 0.005 1 833 106 89 GLU HA H 4.133 0.011 1 834 106 89 GLU HB2 H 2.163 0.02 2 835 106 89 GLU HB3 H 2.163 0.02 2 836 106 89 GLU HG2 H 2.563 0.02 2 837 106 89 GLU HG3 H 2.563 0.02 2 838 106 89 GLU C C 178.236 0 1 839 106 89 GLU CA C 58.426 0.01 1 840 106 89 GLU CB C 31.271 0.046 1 841 106 89 GLU CG C 36.583 0 1 842 106 89 GLU N N 115.634 0.041 1 843 107 90 GLN H H 8.308 0.011 1 844 107 90 GLN HA H 4.3 0.012 1 845 107 90 GLN HB2 H 1.817 0.005 2 846 107 90 GLN HB3 H 1.817 0.005 2 847 107 90 GLN HG2 H 2.465 0.023 2 848 107 90 GLN HG3 H 2.465 0.023 2 849 107 90 GLN HE21 H 7.596 0.002 2 850 107 90 GLN HE22 H 6.733 0.007 2 851 107 90 GLN C C 175.463 0 1 852 107 90 GLN CA C 56.737 0.072 1 853 107 90 GLN CB C 30.021 0.088 1 854 107 90 GLN CG C 34.261 0.041 1 855 107 90 GLN CD C 179.034 0.009 1 856 107 90 GLN N N 115.07 0.049 1 857 107 90 GLN NE2 N 110.551 0.076 1 858 108 91 GLU H H 8.165 0.005 1 859 108 91 GLU HA H 4.113 0 1 860 108 91 GLU HB2 H 1.934 0 2 861 108 91 GLU HB3 H 1.934 0 2 862 108 91 GLU HG2 H 2.119 0 2 863 108 91 GLU HG3 H 2.119 0 2 864 108 91 GLU CA C 56.532 0.04 1 865 108 91 GLU CB C 29.282 0 1 866 108 91 GLU N N 115.845 0.051 1 867 109 92 PRO HA H 4.492 0.009 1 868 109 92 PRO HB2 H 2.14 0.007 2 869 109 92 PRO HB3 H 2.14 0.007 2 870 109 92 PRO HG2 H 1.789 0.009 2 871 109 92 PRO HG3 H 1.789 0.009 2 872 109 92 PRO HD2 H 3.443 0.002 2 873 109 92 PRO HD3 H 3.443 0.002 2 874 109 92 PRO C C 177.804 0 1 875 109 92 PRO CA C 62.739 0.036 1 876 109 92 PRO CB C 31.589 0.029 1 877 110 93 GLU H H 8.458 0.009 1 878 110 93 GLU HA H 4.281 0.013 1 879 110 93 GLU HB2 H 1.763 0.008 2 880 110 93 GLU HB3 H 1.763 0.008 2 881 110 93 GLU HG2 H 2.268 0.011 2 882 110 93 GLU HG3 H 2.268 0.011 2 883 110 93 GLU C C 179.051 0 1 884 110 93 GLU CA C 56.182 0.043 1 885 110 93 GLU CB C 30.418 0.046 1 886 110 93 GLU CG C 36.395 0 1 887 110 93 GLU N N 118.764 0.037 1 888 111 94 VAL H H 8.902 0.009 1 889 111 94 VAL HA H 3.659 0.017 1 890 111 94 VAL HB H 1.913 0.008 1 891 111 94 VAL HG1 H 0.843 0.004 1 892 111 94 VAL HG2 H 1.033 0.009 1 893 111 94 VAL C C 176.605 0 1 894 111 94 VAL CA C 66.281 0.009 1 895 111 94 VAL CB C 31.571 0.085 1 896 111 94 VAL CG1 C 19.583 0.059 1 897 111 94 VAL CG2 C 22.685 0.108 1 898 111 94 VAL N N 121.314 0.04 1 899 112 95 GLN H H 8.866 0.01 1 900 112 95 GLN HA H 3.863 0.017 1 901 112 95 GLN HB2 H 2.013 0.01 2 902 112 95 GLN HB3 H 2.013 0.01 2 903 112 95 GLN HG2 H 2.383 0.006 2 904 112 95 GLN HG3 H 2.383 0.006 2 905 112 95 GLN HE21 H 7.607 0.001 2 906 112 95 GLN HE22 H 7.251 0.009 2 907 112 95 GLN C C 176.251 0 1 908 112 95 GLN CA C 58.227 0.046 1 909 112 95 GLN CB C 26.719 0.077 1 910 112 95 GLN CG C 33.276 0.08 1 911 112 95 GLN CD C 180.275 0 1 912 112 95 GLN N N 118.732 0.054 1 913 112 95 GLN NE2 N 112.46 0.048 1 914 113 96 GLU H H 7.987 0.007 1 915 113 96 GLU HA H 4.528 0.013 1 916 113 96 GLU HB2 H 2.234 0.013 2 917 113 96 GLU HB3 H 2.234 0.013 2 918 113 96 GLU C C 177.714 0 1 919 113 96 GLU CA C 56.255 0.033 1 920 113 96 GLU CB C 31.341 0.026 1 921 113 96 GLU N N 118.564 0.025 1 922 114 97 VAL H H 7.577 0.01 1 923 114 97 VAL HA H 3.473 0.009 1 924 114 97 VAL HB H 2.243 0.005 1 925 114 97 VAL HG1 H 1.03 0.019 1 926 114 97 VAL HG2 H 0.998 0.013 1 927 114 97 VAL C C 177.886 0 1 928 114 97 VAL CA C 68.119 0.026 1 929 114 97 VAL CB C 31.477 0 1 930 114 97 VAL CG1 C 24.309 0.008 1 931 114 97 VAL CG2 C 24.191 0.069 1 932 114 97 VAL N N 122.095 0.041 1 933 115 98 SER H H 9.668 0.011 1 934 115 98 SER HA H 3.976 0.008 1 935 115 98 SER C C 176.592 0 1 936 115 98 SER CA C 62.084 0.022 1 937 115 98 SER N N 115.824 0.047 1 938 116 99 GLN H H 7.721 0.006 1 939 116 99 GLN HA H 4.232 0.018 1 940 116 99 GLN HB2 H 2.245 0.008 2 941 116 99 GLN HB3 H 2.245 0.008 2 942 116 99 GLN HG2 H 2.524 0.006 2 943 116 99 GLN HG3 H 2.524 0.006 2 944 116 99 GLN HE21 H 7.611 0.002 2 945 116 99 GLN HE22 H 6.948 0.007 2 946 116 99 GLN C C 178.64 0 1 947 116 99 GLN CA C 58.728 0.03 1 948 116 99 GLN CB C 27.989 0.044 1 949 116 99 GLN CG C 33.53 0.029 1 950 116 99 GLN CD C 180.047 0.018 1 951 116 99 GLN N N 123.575 0.03 1 952 116 99 GLN NE2 N 112.501 0.034 1 953 117 100 LEU H H 7.773 0.009 1 954 117 100 LEU HA H 4.337 0.012 1 955 117 100 LEU HB2 H 2.017 0.012 2 956 117 100 LEU HB3 H 2.017 0.012 2 957 117 100 LEU HG H 1.864 0.007 1 958 117 100 LEU HD1 H 1.011 0.006 1 959 117 100 LEU HD2 H 0.951 0.004 1 960 117 100 LEU C C 179.195 0 1 961 117 100 LEU CA C 58.048 0.035 1 962 117 100 LEU CB C 41.947 0.036 1 963 117 100 LEU CG C 27.64 0.037 1 964 117 100 LEU CD1 C 24.238 0.033 1 965 117 100 LEU CD2 C 24.841 0.027 1 966 117 100 LEU N N 122.867 0.035 1 967 118 101 PHE H H 8.56 0.005 1 968 118 101 PHE HA H 3.689 0.015 1 969 118 101 PHE HB2 H 3.081 0.012 2 970 118 101 PHE HB3 H 2.838 0.016 2 971 118 101 PHE HD1 H 6.037 0.013 3 972 118 101 PHE HD2 H 6.037 0.013 3 973 118 101 PHE HE1 H 6.821 0.015 3 974 118 101 PHE HE2 H 6.821 0.015 3 975 118 101 PHE HZ H 7.097 0.018 1 976 118 101 PHE C C 176.528 0 1 977 118 101 PHE CA C 61.123 0.031 1 978 118 101 PHE CB C 39.674 0.043 1 979 118 101 PHE N N 120.191 0.018 1 980 119 102 ARG H H 8.409 0.006 1 981 119 102 ARG HA H 3.624 0.012 1 982 119 102 ARG HB2 H 2.026 0.009 2 983 119 102 ARG HB3 H 2.026 0.009 2 984 119 102 ARG HG2 H 1.672 0.009 2 985 119 102 ARG HG3 H 1.672 0.009 2 986 119 102 ARG HD2 H 3.242 0.018 2 987 119 102 ARG HD3 H 3.242 0.018 2 988 119 102 ARG C C 178.291 0 1 989 119 102 ARG CA C 60.165 0.028 1 990 119 102 ARG CB C 30.148 0.022 1 991 119 102 ARG CG C 28.566 0.069 1 992 119 102 ARG CD C 43.385 0 1 993 119 102 ARG N N 117.841 0.04 1 994 120 103 SER H H 8.026 0.006 1 995 120 103 SER HA H 4.12 0.015 1 996 120 103 SER HB2 H 3.646 0 2 997 120 103 SER HB3 H 3.646 0 2 998 120 103 SER C C 177.115 0 1 999 120 103 SER CA C 62.131 0 1 1000 120 103 SER N N 115.524 0.032 1 1001 121 104 VAL H H 7.987 0.006 1 1002 121 104 VAL HA H 3.671 0.008 1 1003 121 104 VAL HB H 2.191 0.004 1 1004 121 104 VAL HG1 H 0.99 0.008 1 1005 121 104 VAL HG2 H 1.173 0.007 1 1006 121 104 VAL C C 177.903 0 1 1007 121 104 VAL CA C 66.652 0.052 1 1008 121 104 VAL CB C 31.406 0.011 1 1009 121 104 VAL CG1 C 21.612 0.041 1 1010 121 104 VAL CG2 C 24.296 0.043 1 1011 121 104 VAL N N 124.484 0.045 1 1012 122 105 LEU H H 8.008 0.008 1 1013 122 105 LEU HA H 3.71 0.012 1 1014 122 105 LEU HB2 H 1.71 0.018 2 1015 122 105 LEU HB3 H 1.104 0.017 2 1016 122 105 LEU HG H 1.149 0.009 1 1017 122 105 LEU HD1 H 0.401 0.006 1 1018 122 105 LEU HD2 H 0.323 0.006 1 1019 122 105 LEU C C 178.753 0 1 1020 122 105 LEU CA C 58.027 0.039 1 1021 122 105 LEU CB C 40.409 0.082 1 1022 122 105 LEU CG C 25.898 0.024 1 1023 122 105 LEU CD1 C 27.066 0.074 1 1024 122 105 LEU CD2 C 21.341 0.016 1 1025 122 105 LEU N N 118.381 0.023 1 1026 123 106 GLN H H 8.15 0.004 1 1027 123 106 GLN HA H 3.943 0.007 1 1028 123 106 GLN HB2 H 2.171 0.013 2 1029 123 106 GLN HB3 H 2.171 0.013 2 1030 123 106 GLN HG2 H 2.443 0.01 2 1031 123 106 GLN HG3 H 2.443 0.01 2 1032 123 106 GLN HE21 H 7.573 0.002 2 1033 123 106 GLN HE22 H 6.786 0.005 2 1034 123 106 GLN C C 178.445 0 1 1035 123 106 GLN CA C 58.945 0.027 1 1036 123 106 GLN CB C 27.95 0.029 1 1037 123 106 GLN CG C 33.744 0.049 1 1038 123 106 GLN CD C 179.716 0 1 1039 123 106 GLN N N 116.72 0.03 1 1040 123 106 GLN NE2 N 111.577 0.046 1 1041 124 107 GLU H H 7.735 0.007 1 1042 124 107 GLU HA H 4.061 0.005 1 1043 124 107 GLU HB2 H 2.182 0 2 1044 124 107 GLU HB3 H 2.182 0 2 1045 124 107 GLU HG2 H 2.412 0 2 1046 124 107 GLU HG3 H 2.412 0 2 1047 124 107 GLU C C 179.935 0 1 1048 124 107 GLU CA C 59.674 0.008 1 1049 124 107 GLU CB C 29.86 0 1 1050 124 107 GLU N N 120.336 0.04 1 1051 125 108 VAL H H 8.169 0.007 1 1052 125 108 VAL HA H 3.499 0.007 1 1053 125 108 VAL HB H 2.238 0.008 1 1054 125 108 VAL HG1 H 0.898 0.007 1 1055 125 108 VAL HG2 H 1.099 0.009 1 1056 125 108 VAL CA C 66.892 0.025 1 1057 125 108 VAL CB C 31.234 0.013 1 1058 125 108 VAL CG1 C 23.055 0.03 1 1059 125 108 VAL CG2 C 22.943 0.049 1 1060 125 108 VAL N N 120.85 0.058 1 1061 126 109 LEU H H 8.389 0.008 1 1062 126 109 LEU HA H 4.14 0.015 1 1063 126 109 LEU HG H 1.657 0.009 1 1064 126 109 LEU HD1 H 0.936 0.01 1 1065 126 109 LEU HD2 H 0.812 0.009 1 1066 126 109 LEU C C 178.825 0 1 1067 126 109 LEU CA C 58.393 0.046 1 1068 126 109 LEU CB C 43.054 0 1 1069 126 109 LEU CG C 27.133 0 1 1070 126 109 LEU CD1 C 26.64 0.085 1 1071 126 109 LEU CD2 C 23.738 0.022 1 1072 126 109 LEU N N 120.841 0.04 1 1073 127 110 GLU H H 7.735 0.006 1 1074 127 110 GLU HB2 H 1.995 0 2 1075 127 110 GLU HB3 H 1.995 0 2 1076 127 110 GLU C C 178.608 0 1 1077 127 110 GLU CA C 59.181 0 1 1078 127 110 GLU N N 120.025 0.006 1 1079 128 111 ARG H H 8.142 0.006 1 1080 128 111 ARG HA H 4.046 0 1 1081 128 111 ARG HD2 H 3.199 0 2 1082 128 111 ARG HD3 H 3.199 0 2 1083 128 111 ARG HE H 8.014 0 1 1084 128 111 ARG C C 179.026 0 1 1085 128 111 ARG CA C 59.145 0 1 1086 128 111 ARG CG C 27.063 0 1 1087 128 111 ARG CD C 42.96 0.03 1 1088 128 111 ARG CZ C 159.496 0 1 1089 128 111 ARG N N 120.583 0.062 1 1090 128 111 ARG NE N 83.024 0 1 1091 129 112 MET H H 8.693 0.006 1 1092 129 112 MET HA H 4.106 0.009 1 1093 129 112 MET HB2 H 1.94 0.004 2 1094 129 112 MET HB3 H 1.94 0.004 2 1095 129 112 MET HG2 H 2.464 0.013 2 1096 129 112 MET HG3 H 2.464 0.013 2 1097 129 112 MET HE H 2.192 0.001 1 1098 129 112 MET CA C 59.142 0.108 1 1099 129 112 MET CB C 33.511 0 1 1100 129 112 MET CE C 15.235 0.008 1 1101 129 112 MET N N 119.168 0.031 1 1102 130 113 LYS H H 8.095 0.006 1 1103 130 113 LYS C C 178.979 0 1 1104 130 113 LYS CA C 59.079 0.072 1 1105 130 113 LYS CB C 32.888 0 1 1106 130 113 LYS N N 120.767 0.052 1 1107 131 114 GLN H H 7.983 0.005 1 1108 131 114 GLN HA H 3.988 0 1 1109 131 114 GLN HB2 H 2.349 0.001 2 1110 131 114 GLN HB3 H 2.349 0.001 2 1111 131 114 GLN C C 179.176 0 1 1112 131 114 GLN CA C 59.161 0.176 1 1113 131 114 GLN N N 121.944 0.032 1 1114 132 115 GLU H H 7.976 0.006 1 1115 132 115 GLU C C 179.171 0 1 1116 132 115 GLU CA C 58.498 0.061 1 1117 132 115 GLU CB C 29.37 0 1 1118 132 115 GLU N N 119.398 0 1 1119 133 116 GLU H H 7.966 0.008 1 1120 133 116 GLU HA H 4.107 0.003 1 1121 133 116 GLU HB2 H 1.977 0.012 2 1122 133 116 GLU HB3 H 1.977 0.012 2 1123 133 116 GLU C C 178.615 0 1 1124 133 116 GLU CA C 59.309 0.023 1 1125 133 116 GLU CB C 30.135 0 1 1126 133 116 GLU N N 119.668 0 1 1127 134 117 GLU H H 8.143 0.005 1 1128 134 117 GLU HA H 4.088 0.002 1 1129 134 117 GLU HB2 H 2.087 0.012 2 1130 134 117 GLU HB3 H 2.087 0.012 2 1131 134 117 GLU HG2 H 2.376 0 2 1132 134 117 GLU HG3 H 2.376 0 2 1133 134 117 GLU C C 178.267 0 1 1134 134 117 GLU CA C 58.646 0.018 1 1135 134 117 GLU CB C 29.819 0.001 1 1136 134 117 GLU CG C 36.276 0 1 1137 134 117 GLU N N 118.942 0 1 1138 135 118 ALA H H 7.976 0.005 1 1139 135 118 ALA HA H 4.148 0.005 1 1140 135 118 ALA HB H 1.4 0.006 1 1141 135 118 ALA C C 179.629 0 1 1142 135 118 ALA CA C 54.643 0.152 1 1143 135 118 ALA CB C 18.279 0.046 1 1144 135 118 ALA N N 121.985 0.051 1 1145 136 119 HIS H H 8.028 0.007 1 1146 136 119 HIS HA H 4.519 0.003 1 1147 136 119 HIS HB2 H 3.194 0.015 2 1148 136 119 HIS HB3 H 3.194 0.015 2 1149 136 119 HIS HD2 H 7.069 0.014 1 1150 136 119 HIS CA C 57.743 0.084 1 1151 136 119 HIS CB C 29.937 0.027 1 1152 136 119 HIS N N 117.031 0.074 1 1153 137 120 LYS C C 177.739 0 1 1154 137 120 LYS CA C 58.472 0.023 1 1155 137 120 LYS CB C 32.487 0 1 1156 138 121 LEU H H 7.891 0.009 1 1157 138 121 LEU HA H 4.267 0.011 1 1158 138 121 LEU HB2 H 1.745 0.01 2 1159 138 121 LEU HB3 H 1.745 0.01 2 1160 138 121 LEU HG H 1.347 0.005 1 1161 138 121 LEU HD1 H 0.917 0.005 1 1162 138 121 LEU HD2 H 0.86 0.007 1 1163 138 121 LEU C C 178.098 0 1 1164 138 121 LEU CA C 56.322 0.012 1 1165 138 121 LEU CB C 42.094 0.009 1 1166 138 121 LEU CD1 C 25.027 0.065 1 1167 138 121 LEU CD2 C 23.399 0.072 1 1168 138 121 LEU N N 119.748 0.055 1 1169 139 122 THR H H 7.911 0.006 1 1170 139 122 THR HA H 4.219 0 1 1171 139 122 THR HB H 4.297 0.01 1 1172 139 122 THR HG2 H 1.248 0.01 1 1173 139 122 THR C C 175.303 0 1 1174 139 122 THR CA C 63.135 0.06 1 1175 139 122 THR CB C 69.695 0.006 1 1176 139 122 THR CG2 C 21.693 0 1 1177 139 122 THR N N 112.7 0.024 1 1178 140 123 ARG H H 8.075 0.005 1 1179 140 123 ARG HA H 4.191 0.005 1 1180 140 123 ARG HB2 H 1.756 0.003 2 1181 140 123 ARG HB3 H 1.756 0.003 2 1182 140 123 ARG HG2 H 1.562 0.007 2 1183 140 123 ARG HG3 H 1.562 0.007 2 1184 140 123 ARG HD2 H 3.09 0.01 2 1185 140 123 ARG HD3 H 3.09 0.01 2 1186 140 123 ARG C C 176.704 0 1 1187 140 123 ARG CA C 56.997 0.048 1 1188 140 123 ARG CB C 30.255 0.05 1 1189 140 123 ARG CG C 27.076 0.015 1 1190 140 123 ARG CD C 43.377 0.022 1 1191 140 123 ARG N N 122.116 0.049 1 1192 141 124 GLN H H 8.192 0.004 1 1193 141 124 GLN HA H 4.228 0.009 1 1194 141 124 GLN HB2 H 1.978 0.009 2 1195 141 124 GLN HB3 H 1.978 0.009 2 1196 141 124 GLN HG2 H 2.243 0.005 2 1197 141 124 GLN HG3 H 2.243 0.005 2 1198 141 124 GLN HE21 H 7.378 0.007 2 1199 141 124 GLN HE22 H 6.849 0.003 2 1200 141 124 GLN C C 176.343 0 1 1201 141 124 GLN CA C 56.764 0.084 1 1202 141 124 GLN CB C 29.057 0.047 1 1203 141 124 GLN CG C 33.727 0.027 1 1204 141 124 GLN CD C 180.094 0.013 1 1205 141 124 GLN N N 119.9 0 1 1206 141 124 GLN NE2 N 112.017 0.023 1 1207 142 125 TRP H H 8.12 0.01 1 1208 142 125 TRP HA H 4.658 0.005 1 1209 142 125 TRP HB2 H 3.274 0.017 2 1210 142 125 TRP HB3 H 3.274 0.017 2 1211 142 125 TRP HD1 H 7.257 0.016 1 1212 142 125 TRP HE1 H 10.18 0.006 1 1213 142 125 TRP HE3 H 7.568 0 1 1214 142 125 TRP HZ2 H 7.448 0 1 1215 142 125 TRP C C 176.45 0 1 1216 142 125 TRP CA C 57.795 0 1 1217 142 125 TRP CB C 29.615 0.028 1 1218 142 125 TRP CD1 C 127.109 0.248 1 1219 142 125 TRP CE2 C 138.916 0 1 1220 142 125 TRP N N 121.191 0.04 1 1221 142 125 TRP NE1 N 129.276 0.042 1 1222 143 126 SER H H 8.041 0 1 1223 143 126 SER HA H 4.334 0.002 1 1224 143 126 SER HB2 H 3.808 0 2 1225 143 126 SER HB3 H 3.808 0 2 1226 143 126 SER C C 174.13 0 1 1227 143 126 SER CA C 58.865 0.044 1 1228 143 126 SER CB C 63.85 0.048 1 1229 143 126 SER N N 115.935 0 1 1230 144 127 LEU H H 7.993 0.006 1 1231 144 127 LEU HA H 4.332 0.002 1 1232 144 127 LEU HB2 H 1.626 0.021 2 1233 144 127 LEU HB3 H 1.626 0.021 2 1234 144 127 LEU HD1 H 0.919 0 1 1235 144 127 LEU HD2 H 0.85 0 1 1236 144 127 LEU C C 176.852 0 1 1237 144 127 LEU CA C 55.184 0.095 1 1238 144 127 LEU CB C 42.356 0.048 1 1239 144 127 LEU CD1 C 24.969 0 1 1240 144 127 LEU CD2 C 23.458 0 1 1241 144 127 LEU N N 123.05 0.042 1 1242 145 128 ARG H H 8.08 0.002 1 1243 145 128 ARG HA H 4.566 0.003 1 1244 145 128 ARG HB2 H 1.747 0.012 2 1245 145 128 ARG HB3 H 1.747 0.012 2 1246 145 128 ARG HG2 H 1.599 0.008 2 1247 145 128 ARG HG3 H 1.599 0.008 2 1248 145 128 ARG HD2 H 3.086 0.016 2 1249 145 128 ARG HD3 H 3.086 0.016 2 1250 145 128 ARG CA C 53.973 0.024 1 1251 145 128 ARG CB C 30.187 0.068 1 1252 145 128 ARG CG C 26.941 0.059 1 1253 145 128 ARG CD C 43.401 0.005 1 1254 145 128 ARG N N 122.172 0.029 1 1255 146 129 PRO HA H 4.399 0.009 1 1256 146 129 PRO HB2 H 2.275 0.005 2 1257 146 129 PRO HB3 H 1.881 0.003 2 1258 146 129 PRO HG2 H 2.024 0.002 2 1259 146 129 PRO HG3 H 1.973 0.002 2 1260 146 129 PRO HD2 H 3.773 0.004 2 1261 146 129 PRO HD3 H 3.583 0.006 2 1262 146 129 PRO C C 176.98 0 1 1263 146 129 PRO CA C 63.253 0.074 1 1264 146 129 PRO CB C 32.085 0.015 1 1265 146 129 PRO CG C 27.5 0.032 1 1266 146 129 PRO CD C 50.663 0.034 1 1267 147 130 ARG H H 8.541 0.004 1 1268 147 130 ARG HA H 4.283 0 1 1269 147 130 ARG HB2 H 1.829 0.018 2 1270 147 130 ARG HB3 H 1.829 0.018 2 1271 147 130 ARG HG2 H 1.67 0.004 2 1272 147 130 ARG HG3 H 1.67 0.004 2 1273 147 130 ARG HD2 H 3.16 0.004 2 1274 147 130 ARG HD3 H 3.16 0.004 2 1275 147 130 ARG C C 176.967 0 1 1276 147 130 ARG CA C 56.533 0.049 1 1277 147 130 ARG CB C 30.741 0.011 1 1278 147 130 ARG CG C 26.98 0 1 1279 147 130 ARG CD C 43.383 0.017 1 1280 147 130 ARG N N 121.872 0.053 1 1281 148 131 GLY H H 8.518 0.004 1 1282 148 131 GLY HA2 H 3.976 0 2 1283 148 131 GLY HA3 H 3.976 0 2 1284 148 131 GLY C C 174.139 0 1 1285 148 131 GLY CA C 45.377 0.081 1 1286 148 131 GLY N N 110.192 0.012 1 1287 149 132 SER H H 8.217 0 1 1288 149 132 SER HA H 4.449 0.013 1 1289 149 132 SER HB2 H 3.877 0.005 2 1290 149 132 SER HB3 H 3.877 0.005 2 1291 149 132 SER C C 174.511 0 1 1292 149 132 SER CA C 58.495 0.097 1 1293 149 132 SER CB C 63.978 0.041 1 1294 149 132 SER N N 115.704 0 1 1295 150 133 LEU H H 8.289 0.004 1 1296 150 133 LEU HA H 4.359 0.017 1 1297 150 133 LEU HB2 H 1.626 0.011 2 1298 150 133 LEU HB3 H 1.626 0.011 2 1299 150 133 LEU HG H 1.64 0.001 1 1300 150 133 LEU HD1 H 0.917 0.003 1 1301 150 133 LEU HD2 H 0.858 0.001 1 1302 150 133 LEU C C 176.957 0 1 1303 150 133 LEU CA C 55.25 0.083 1 1304 150 133 LEU CB C 42.359 0.049 1 1305 150 133 LEU CG C 27.026 0.012 1 1306 150 133 LEU CD1 C 25.009 0.051 1 1307 150 133 LEU CD2 C 23.443 0.039 1 1308 150 133 LEU N N 123.635 0.02 1 1309 151 134 ALA H H 8.263 0.005 1 1310 151 134 ALA HA H 4.308 0.001 1 1311 151 134 ALA HB H 1.323 0.004 1 1312 151 134 ALA C C 177.529 0 1 1313 151 134 ALA CA C 52.632 0.082 1 1314 151 134 ALA CB C 19.317 0.051 1 1315 151 134 ALA N N 124.283 0.042 1 1316 152 135 THR H H 7.931 0.004 1 1317 152 135 THR HA H 4.264 0.009 1 1318 152 135 THR HB H 4.163 0.002 1 1319 152 135 THR HG2 H 1.111 0.002 1 1320 152 135 THR C C 174.125 0 1 1321 152 135 THR CA C 61.739 0.064 1 1322 152 135 THR CB C 69.846 0.088 1 1323 152 135 THR CG2 C 21.568 0.032 1 1324 152 135 THR N N 112.448 0.037 1 1325 153 136 PHE H H 8.135 0.005 1 1326 153 136 PHE HA H 4.665 0.019 1 1327 153 136 PHE HB2 H 3.159 0.052 2 1328 153 136 PHE HB3 H 3.037 0.011 2 1329 153 136 PHE HD1 H 7.244 0.008 3 1330 153 136 PHE HD2 H 7.244 0.008 3 1331 153 136 PHE HE1 H 7.336 0.01 3 1332 153 136 PHE HE2 H 7.336 0.01 3 1333 153 136 PHE C C 175.505 0 1 1334 153 136 PHE CA C 57.664 0.054 1 1335 153 136 PHE CB C 39.572 0.014 1 1336 153 136 PHE N N 121.05 0.017 1 1337 154 137 GLU H H 8.37 0.004 1 1338 154 137 GLU HA H 4.321 0.006 1 1339 154 137 GLU HB2 H 2.033 0.008 2 1340 154 137 GLU HB3 H 1.939 0.007 2 1341 154 137 GLU HG2 H 2.192 0.016 2 1342 154 137 GLU HG3 H 2.192 0.016 2 1343 154 137 GLU C C 176.297 0 1 1344 154 137 GLU CA C 56.781 0.083 1 1345 154 137 GLU CB C 30.458 0.002 1 1346 154 137 GLU CG C 36.407 0 1 1347 154 137 GLU N N 121.857 0.049 1 1348 155 138 THR H H 8.109 0.005 1 1349 155 138 THR HA H 4.341 0.014 1 1350 155 138 THR HB H 4.226 0.002 1 1351 155 138 THR HG2 H 1.206 0.005 1 1352 155 138 THR C C 174.388 0 1 1353 155 138 THR CA C 61.894 0.055 1 1354 155 138 THR CB C 69.986 0.113 1 1355 155 138 THR CG2 C 21.619 0.009 1 1356 155 138 THR N N 114.536 0.011 1 1357 156 139 GLU H H 8.452 0.017 1 1358 156 139 GLU HA H 4.287 0.003 1 1359 156 139 GLU HB2 H 2.072 0 2 1360 156 139 GLU HB3 H 1.95 0.003 2 1361 156 139 GLU HG2 H 2.286 0.012 2 1362 156 139 GLU HG3 H 2.286 0.012 2 1363 156 139 GLU C C 175.882 0 1 1364 156 139 GLU CA C 56.636 0.072 1 1365 156 139 GLU CB C 30.351 0.027 1 1366 156 139 GLU CG C 36.404 0 1 1367 156 139 GLU N N 123.292 0.031 1 1368 157 140 ALA H H 8.249 0.003 1 1369 157 140 ALA HA H 4.299 0.009 1 1370 157 140 ALA HB H 1.367 0.004 1 1371 157 140 ALA C C 177.361 0 1 1372 157 140 ALA CA C 52.389 0.006 1 1373 157 140 ALA CB C 19.616 0.069 1 1374 157 140 ALA N N 124.862 0.029 1 1375 158 141 GLU H H 8.374 0.003 1 1376 158 141 GLU HA H 4.292 0.006 1 1377 158 141 GLU HB2 H 2.052 0 2 1378 158 141 GLU HB3 H 1.932 0.001 2 1379 158 141 GLU HG2 H 2.281 0.011 2 1380 158 141 GLU HG3 H 2.281 0.011 2 1381 158 141 GLU C C 176.143 0 1 1382 158 141 GLU CA C 56.511 0.045 1 1383 158 141 GLU CB C 30.245 0.006 1 1384 158 141 GLU CG C 36.41 0 1 1385 158 141 GLU N N 120.683 0.054 1 1386 159 142 ILE H H 8.148 0.003 1 1387 159 142 ILE HA H 4.228 0.001 1 1388 159 142 ILE HB H 1.888 0.002 1 1389 159 142 ILE HG12 H 1.45 0.009 2 1390 159 142 ILE HG13 H 1.15 0.004 2 1391 159 142 ILE HG2 H 0.918 0.002 1 1392 159 142 ILE HD1 H 0.854 0.005 1 1393 159 142 ILE C C 174.942 0 1 1394 159 142 ILE CA C 61.068 0.043 1 1395 159 142 ILE CB C 39.399 0.028 1 1396 159 142 ILE CG1 C 26.847 0.074 1 1397 159 142 ILE CG2 C 17.64 0.005 1 1398 159 142 ILE CD1 C 13.177 0.012 1 1399 159 142 ILE N N 121.474 0.018 1 1400 160 143 ASP H H 7.964 0.003 1 1401 160 143 ASP HA H 4.215 0 1 1402 160 143 ASP HB2 H 2.577 0 2 1403 160 143 ASP HB3 H 2.577 0 2 1404 160 143 ASP CA C 55.997 0.001 1 1405 160 143 ASP CB C 42.382 0 1 1406 160 143 ASP N N 129.487 0.025 1 stop_ save_