data_26657 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance Assignment of MERS-CoV macro domain ; _BMRB_accession_number 26657 _BMRB_flat_file_name bmr26657.str _Entry_type original _Submission_date 2015-09-15 _Accession_date 2015-09-15 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Huang Yi-Ping . . 2 Cho Chao-Cheng . . 3 Hsu Chun-Hua . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 734 "13C chemical shifts" 578 "15N chemical shifts" 158 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-12-12 update BMRB 'update entry citation' 2016-09-09 original author 'original release' stop_ _Original_release_date 2016-07-14 save_ ############################# # Citation for this entry # ############################# save_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR assignments of the macro domain from Middle East respiratory syndrome coronavirus (MERS-CoV) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26993639 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Huang Yi-Ping . . 2 Cho Chao-Cheng . . 3 Chang Chi-Fon . . 4 Hsu Chun-Hua . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 10 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 245 _Page_last 248 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'MERS-CoV macro domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MERS-CoV macro domain, 1' $MERS-CoV_macro_domain 'MERS-CoV macro domain, 2' $MERS-CoV_macro_domain 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_MERS-CoV_macro_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MERS-CoV_macro_domain _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 168 _Mol_residue_sequence ; GSHMPLSNFEHKVITECVTI VLGDAIQVAKCYGESVLVNA ANTHLKHGGGIAGAINAASK GAVQKESDEYILAKGPLQVG DSVLLQGHSLAKNILHVVGP DARAKQDVSLLSKCYKAMNA YPLVVTPLVSAGIFGVKPAV SFDYLIREAKTRVLVVVNSQ DVYKSLTI ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -3 GLY 2 -2 SER 3 -1 HIS 4 0 MET 5 1 PRO 6 2 LEU 7 3 SER 8 4 ASN 9 5 PHE 10 6 GLU 11 7 HIS 12 8 LYS 13 9 VAL 14 10 ILE 15 11 THR 16 12 GLU 17 13 CYS 18 14 VAL 19 15 THR 20 16 ILE 21 17 VAL 22 18 LEU 23 19 GLY 24 20 ASP 25 21 ALA 26 22 ILE 27 23 GLN 28 24 VAL 29 25 ALA 30 26 LYS 31 27 CYS 32 28 TYR 33 29 GLY 34 30 GLU 35 31 SER 36 32 VAL 37 33 LEU 38 34 VAL 39 35 ASN 40 36 ALA 41 37 ALA 42 38 ASN 43 39 THR 44 40 HIS 45 41 LEU 46 42 LYS 47 43 HIS 48 44 GLY 49 45 GLY 50 46 GLY 51 47 ILE 52 48 ALA 53 49 GLY 54 50 ALA 55 51 ILE 56 52 ASN 57 53 ALA 58 54 ALA 59 55 SER 60 56 LYS 61 57 GLY 62 58 ALA 63 59 VAL 64 60 GLN 65 61 LYS 66 62 GLU 67 63 SER 68 64 ASP 69 65 GLU 70 66 TYR 71 67 ILE 72 68 LEU 73 69 ALA 74 70 LYS 75 71 GLY 76 72 PRO 77 73 LEU 78 74 GLN 79 75 VAL 80 76 GLY 81 77 ASP 82 78 SER 83 79 VAL 84 80 LEU 85 81 LEU 86 82 GLN 87 83 GLY 88 84 HIS 89 85 SER 90 86 LEU 91 87 ALA 92 88 LYS 93 89 ASN 94 90 ILE 95 91 LEU 96 92 HIS 97 93 VAL 98 94 VAL 99 95 GLY 100 96 PRO 101 97 ASP 102 98 ALA 103 99 ARG 104 100 ALA 105 101 LYS 106 102 GLN 107 103 ASP 108 104 VAL 109 105 SER 110 106 LEU 111 107 LEU 112 108 SER 113 109 LYS 114 110 CYS 115 111 TYR 116 112 LYS 117 113 ALA 118 114 MET 119 115 ASN 120 116 ALA 121 117 TYR 122 118 PRO 123 119 LEU 124 120 VAL 125 121 VAL 126 122 THR 127 123 PRO 128 124 LEU 129 125 VAL 130 126 SER 131 127 ALA 132 128 GLY 133 129 ILE 134 130 PHE 135 131 GLY 136 132 VAL 137 133 LYS 138 134 PRO 139 135 ALA 140 136 VAL 141 137 SER 142 138 PHE 143 139 ASP 144 140 TYR 145 141 LEU 146 142 ILE 147 143 ARG 148 144 GLU 149 145 ALA 150 146 LYS 151 147 THR 152 148 ARG 153 149 VAL 154 150 LEU 155 151 VAL 156 152 VAL 157 153 VAL 158 154 ASN 159 155 SER 160 156 GLN 161 157 ASP 162 158 VAL 163 159 TYR 164 160 LYS 165 161 SER 166 162 LEU 167 163 THR 168 164 ILE 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 $MERS-CoV_macro_domain viruses 694002 viruses . . . 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 $MERS-CoV_macro_domain 'recombinant technology' . Escherichia coli . pET28a 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $MERS-CoV_macro_domain 0.1 mM . . '[U-99% 13C; U-99% 15N]' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' 'sodium phosphate' 20 mM . . 'natural abundance' NaCl . mM 100 150 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MERS-CoV_macro_domain 0.1 mM '[U-99% 13C; U-99% 15N]' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 6.5 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' '3D HBHA(CO)NH' '3D 1H-15N NOESY' '3D HCCH-COSY' '2D 1H-13C HSQC' '3D H(CCO)NH' '3D HN(CA)CO' 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 'MERS-CoV macro domain, 1' _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 1 5 PRO HA H 4.289 0.04 1 2 1 5 PRO HB2 H 2.106 0.04 2 3 1 5 PRO HB3 H 1.752 0.04 2 4 1 5 PRO C C 178.139 0.4 1 5 1 5 PRO CA C 65 0.4 1 6 1 5 PRO CB C 31.92 0.4 1 7 2 6 LEU H H 8.108 0.04 1 8 2 6 LEU HA H 4.446 0.04 1 9 2 6 LEU HB2 H 1.33 0.04 2 10 2 6 LEU HB3 H 1.029 0.04 2 11 2 6 LEU C C 177.444 0.4 1 12 2 6 LEU CA C 55.54 0.4 1 13 2 6 LEU CB C 40.67 0.4 1 14 2 6 LEU CG C 25.104 0.4 1 15 2 6 LEU N N 116 0.4 1 16 3 7 SER H H 7.86 0.04 1 17 3 7 SER HA H 4.333 0.04 1 18 3 7 SER HB2 H 4.003 0.04 2 19 3 7 SER HB3 H 4.003 0.04 2 20 3 7 SER C C 174.936 0.4 1 21 3 7 SER CA C 61.84 0.4 1 22 3 7 SER CB C 63.54 0.4 1 23 3 7 SER N N 113.6 0.4 1 24 4 8 ASN H H 7.93 0.04 1 25 4 8 ASN HA H 4.648 0.04 1 26 4 8 ASN HB2 H 2.478 0.04 2 27 4 8 ASN HB3 H 2.286 0.04 2 28 4 8 ASN C C 173.803 0.4 1 29 4 8 ASN CA C 53.57 0.4 1 30 4 8 ASN CB C 38.84 0.4 1 31 4 8 ASN N N 116.6 0.4 1 32 5 9 PHE H H 8.059 0.04 1 33 5 9 PHE HA H 4.913 0.04 1 34 5 9 PHE HB2 H 3.19 0.04 2 35 5 9 PHE HB3 H 2.6 0.04 2 36 5 9 PHE C C 176.224 0.4 1 37 5 9 PHE CA C 56.57 0.4 1 38 5 9 PHE CB C 42.87 0.4 1 39 5 9 PHE N N 117.742 0.4 1 40 6 10 GLU H H 9.511 0.04 1 41 6 10 GLU HA H 4.388 0.04 1 42 6 10 GLU HB2 H 2.166 0.04 2 43 6 10 GLU HB3 H 1.903 0.04 2 44 6 10 GLU HG2 H 2.189 0.04 2 45 6 10 GLU HG3 H 2.189 0.04 2 46 6 10 GLU C C 174.468 0.4 1 47 6 10 GLU CA C 57.34 0.4 1 48 6 10 GLU CB C 28.74 0.4 1 49 6 10 GLU CG C 35.212 0.4 1 50 6 10 GLU N N 128.968 0.4 1 51 7 11 HIS H H 8.263 0.04 1 52 7 11 HIS HA H 5.891 0.04 1 53 7 11 HIS HB2 H 3.131 0.04 2 54 7 11 HIS HB3 H 3.131 0.04 2 55 7 11 HIS C C 173.475 0.4 1 56 7 11 HIS CA C 56.52 0.4 1 57 7 11 HIS CB C 31.92 0.4 1 58 7 11 HIS N N 121.841 0.4 1 59 8 12 LYS H H 9.219 0.04 1 60 8 12 LYS HA H 4.563 0.04 1 61 8 12 LYS HB2 H 1.754 0.04 2 62 8 12 LYS HB3 H 1.635 0.04 2 63 8 12 LYS HG2 H 1.423 0.04 2 64 8 12 LYS HG3 H 1.325 0.04 2 65 8 12 LYS C C 175.019 0.4 1 66 8 12 LYS CA C 56.16 0.4 1 67 8 12 LYS CB C 36.66 0.4 1 68 8 12 LYS CG C 24.893 0.4 1 69 8 12 LYS CD C 24.67 0.4 1 70 8 12 LYS N N 118.939 0.4 1 71 9 13 VAL H H 9.02 0.04 1 72 9 13 VAL HA H 4.231 0.04 1 73 9 13 VAL HB H 2.084 0.04 1 74 9 13 VAL HG1 H 1.148 0.04 2 75 9 13 VAL HG2 H 1.148 0.04 2 76 9 13 VAL C C 175.788 0.4 1 77 9 13 VAL CA C 64.26 0.4 1 78 9 13 VAL CB C 32.01 0.4 1 79 9 13 VAL CG1 C 20.923 0.4 2 80 9 13 VAL N N 129 0.4 1 81 10 14 ILE H H 8.908 0.04 1 82 10 14 ILE HA H 4.421 0.04 1 83 10 14 ILE HB H 2.161 0.04 1 84 10 14 ILE HG2 H 1.125 0.04 1 85 10 14 ILE C C 176.938 0.4 1 86 10 14 ILE CA C 60.88 0.4 1 87 10 14 ILE CB C 37.11 0.4 1 88 10 14 ILE CG2 C 17.218 0.4 1 89 10 14 ILE N N 130.123 0.4 1 90 11 15 THR H H 8.502 0.04 1 91 11 15 THR HA H 4.862 0.04 1 92 11 15 THR HB H 4.701 0.04 1 93 11 15 THR HG2 H 1.26 0.04 1 94 11 15 THR C C 173.417 0.4 1 95 11 15 THR CA C 58.73 0.4 1 96 11 15 THR CB C 73.37 0.4 1 97 11 15 THR CG2 C 22.227 0.4 1 98 11 15 THR N N 110.119 0.4 1 99 12 16 GLU H H 9.001 0.04 1 100 12 16 GLU HA H 4.108 0.04 1 101 12 16 GLU HB2 H 2.089 0.04 2 102 12 16 GLU HB3 H 2.089 0.04 2 103 12 16 GLU HG2 H 2.388 0.04 2 104 12 16 GLU HG3 H 2.388 0.04 2 105 12 16 GLU C C 177.08 0.4 1 106 12 16 GLU CA C 58.9 0.4 1 107 12 16 GLU CB C 28.95 0.4 1 108 12 16 GLU CG C 36.246 0.4 1 109 12 16 GLU N N 116.487 0.4 1 110 13 17 CYS H H 7.809 0.04 1 111 13 17 CYS HA H 4.542 0.04 1 112 13 17 CYS HB2 H 3.431 0.04 2 113 13 17 CYS HB3 H 2.572 0.04 2 114 13 17 CYS C C 173.147 0.4 1 115 13 17 CYS CA C 61.22 0.4 1 116 13 17 CYS CB C 30.28 0.4 1 117 13 17 CYS N N 113.478 0.4 1 118 14 18 VAL H H 7.335 0.04 1 119 14 18 VAL HA H 4.339 0.04 1 120 14 18 VAL HB H 1.707 0.04 1 121 14 18 VAL HG1 H 0.7737 0.04 2 122 14 18 VAL HG2 H 0.7737 0.04 2 123 14 18 VAL C C 174.8 0.4 1 124 14 18 VAL CA C 62.85 0.4 1 125 14 18 VAL CB C 33.93 0.4 1 126 14 18 VAL CG1 C 21.99 0.4 2 127 14 18 VAL N N 118.8 0.4 1 128 15 19 THR H H 8.557 0.04 1 129 15 19 THR HA H 5.033 0.04 1 130 15 19 THR HB H 4.033 0.04 1 131 15 19 THR HG2 H 1.111 0.04 1 132 15 19 THR C C 172.196 0.4 1 133 15 19 THR CA C 62.39 0.4 1 134 15 19 THR CB C 72.3 0.4 1 135 15 19 THR CG2 C 21.104 0.4 1 136 15 19 THR N N 126.972 0.4 1 137 16 20 ILE H H 9.099 0.04 1 138 16 20 ILE HA H 5.51 0.04 1 139 16 20 ILE HB H 1.562 0.04 1 140 16 20 ILE HG13 H 1.7 0.04 2 141 16 20 ILE HG2 H 1.026 0.04 1 142 16 20 ILE HD1 H 0.52 0.04 1 143 16 20 ILE C C 173.339 0.4 1 144 16 20 ILE CA C 58.91 0.4 1 145 16 20 ILE CB C 40.93 0.4 1 146 16 20 ILE CG1 C 28.77 0.4 1 147 16 20 ILE CG2 C 17.15 0.4 1 148 16 20 ILE CD1 C 14.9 0.4 1 149 16 20 ILE N N 126.157 0.4 1 150 17 21 VAL H H 9.548 0.04 1 151 17 21 VAL HA H 4.493 0.04 1 152 17 21 VAL HB H 1.843 0.04 1 153 17 21 VAL HG1 H 0.713 0.04 2 154 17 21 VAL HG2 H 0.713 0.04 2 155 17 21 VAL C C 173.212 0.4 1 156 17 21 VAL CA C 60.67 0.4 1 157 17 21 VAL CB C 35.64 0.4 1 158 17 21 VAL CG1 C 21.815 0.4 2 159 17 21 VAL N N 127.822 0.4 1 160 18 22 LEU H H 8.382 0.04 1 161 18 22 LEU HA H 5.063 0.04 1 162 18 22 LEU HB2 H 1.529 0.04 2 163 18 22 LEU HB3 H 1.529 0.04 2 164 18 22 LEU HG H 1.509 0.04 1 165 18 22 LEU HD1 H 0.63 0.04 2 166 18 22 LEU HD2 H 0.63 0.04 2 167 18 22 LEU C C 175.542 0.4 1 168 18 22 LEU CA C 52.84 0.4 1 169 18 22 LEU CB C 41.73 0.4 1 170 18 22 LEU CG C 25.798 0.4 1 171 18 22 LEU CD1 C 23.26 0.4 2 172 18 22 LEU N N 129.726 0.4 1 173 19 23 GLY H H 8.532 0.04 1 174 19 23 GLY HA2 H 4.022 0.04 2 175 19 23 GLY HA3 H 3.954 0.04 2 176 19 23 GLY C C 169.803 0.4 1 177 19 23 GLY CA C 45.59 0.4 1 178 19 23 GLY N N 113.213 0.4 1 179 20 24 ASP H H 7.802 0.04 1 180 20 24 ASP HA H 4.696 0.04 1 181 20 24 ASP HB2 H 2.713 0.04 2 182 20 24 ASP HB3 H 2.627 0.04 2 183 20 24 ASP C C 176.927 0.4 1 184 20 24 ASP CA C 52.52 0.4 1 185 20 24 ASP CB C 43.67 0.4 1 186 20 24 ASP N N 119.9 0.4 1 187 21 25 ALA H H 9.013 0.04 1 188 21 25 ALA HA H 3.517 0.04 1 189 21 25 ALA HB H 1.269 0.04 1 190 21 25 ALA C C 177.872 0.4 1 191 21 25 ALA CA C 56.33 0.4 1 192 21 25 ALA CB C 17.97 0.4 1 193 21 25 ALA N N 129.047 0.4 1 194 22 26 ILE H H 7.99 0.04 1 195 22 26 ILE HA H 3.489 0.04 1 196 22 26 ILE HB H 2.102 0.04 1 197 22 26 ILE HG12 H 1.675 0.04 2 198 22 26 ILE HG13 H 0.836 0.04 2 199 22 26 ILE HG2 H 0.869 0.04 1 200 22 26 ILE C C 178.575 0.4 1 201 22 26 ILE CA C 65.89 0.4 1 202 22 26 ILE CB C 37.41 0.4 1 203 22 26 ILE CG1 C 30.16 0.4 1 204 22 26 ILE CG2 C 17.456 0.4 1 205 22 26 ILE N N 115.921 0.4 1 206 23 27 GLN H H 7.542 0.04 1 207 23 27 GLN HA H 4.033 0.04 1 208 23 27 GLN HB2 H 2.338 0.04 2 209 23 27 GLN HB3 H 2.338 0.04 2 210 23 27 GLN HG2 H 2.585 0.04 2 211 23 27 GLN HG3 H 2.585 0.04 2 212 23 27 GLN C C 179.12 0.4 1 213 23 27 GLN CA C 58.46 0.4 1 214 23 27 GLN CB C 28.14 0.4 1 215 23 27 GLN CG C 33.42 0.4 1 216 23 27 GLN N N 118.434 0.4 1 217 24 28 VAL H H 8.052 0.04 1 218 24 28 VAL HA H 3.41 0.04 1 219 24 28 VAL HB H 1.794 0.04 1 220 24 28 VAL HG1 H 1.364 0.04 2 221 24 28 VAL HG2 H 1.364 0.04 2 222 24 28 VAL C C 178.156 0.4 1 223 24 28 VAL CA C 66.88 0.4 1 224 24 28 VAL CB C 31.12 0.4 1 225 24 28 VAL CG1 C 21.98 0.4 2 226 24 28 VAL N N 119.662 0.4 1 227 25 29 ALA H H 8.328 0.04 1 228 25 29 ALA HA H 4.099 0.04 1 229 25 29 ALA HB H 1.5 0.04 1 230 25 29 ALA C C 179.867 0.4 1 231 25 29 ALA CA C 56.14 0.4 1 232 25 29 ALA CB C 17.78 0.4 1 233 25 29 ALA N N 120.342 0.4 1 234 26 30 LYS H H 7.654 0.04 1 235 26 30 LYS HA H 4.098 0.04 1 236 26 30 LYS HB2 H 2.03 0.04 2 237 26 30 LYS HB3 H 2.03 0.04 2 238 26 30 LYS HG2 H 1.552 0.04 2 239 26 30 LYS HG3 H 1.552 0.04 2 240 26 30 LYS C C 178.076 0.4 1 241 26 30 LYS CA C 58.26 0.4 1 242 26 30 LYS CB C 32.33 0.4 1 243 26 30 LYS CG C 25.11 0.4 1 244 26 30 LYS N N 116.248 0.4 1 245 27 31 CYS H H 7.619 0.04 1 246 27 31 CYS HA H 4.089 0.04 1 247 27 31 CYS HB2 H 3.106 0.04 2 248 27 31 CYS HB3 H 2.387 0.04 2 249 27 31 CYS C C 173.841 0.4 1 250 27 31 CYS CA C 61.93 0.4 1 251 27 31 CYS CB C 27.75 0.4 1 252 27 31 CYS N N 114.979 0.4 1 253 28 32 TYR H H 7.655 0.04 1 254 28 32 TYR HA H 4.706 0.04 1 255 28 32 TYR HB2 H 2.993 0.04 2 256 28 32 TYR HB3 H 2.582 0.04 2 257 28 32 TYR C C 176.166 0.4 1 258 28 32 TYR CA C 56.67 0.4 1 259 28 32 TYR CB C 40.54 0.4 1 260 28 32 TYR N N 117.95 0.4 1 261 29 33 GLY H H 8.889 0.04 1 262 29 33 GLY HA2 H 4.003 0.04 2 263 29 33 GLY HA3 H 3.889 0.04 2 264 29 33 GLY C C 174.987 0.4 1 265 29 33 GLY CA C 47.16 0.4 1 266 29 33 GLY N N 113.271 0.4 1 267 30 34 GLU H H 9.174 0.04 1 268 30 34 GLU HA H 4.531 0.04 1 269 30 34 GLU HB2 H 2.261 0.04 2 270 30 34 GLU HB3 H 2.041 0.04 2 271 30 34 GLU HG2 H 2.362 0.04 2 272 30 34 GLU HG3 H 2.191 0.04 2 273 30 34 GLU C C 175.888 0.4 1 274 30 34 GLU CA C 55.94 0.4 1 275 30 34 GLU CB C 29.07 0.4 1 276 30 34 GLU CG C 36.074 0.4 1 277 30 34 GLU N N 117.6 0.4 1 278 31 35 SER H H 8.017 0.04 1 279 31 35 SER HA H 4.014 0.04 1 280 31 35 SER HB2 H 3.731 0.04 2 281 31 35 SER HB3 H 3.731 0.04 2 282 31 35 SER C C 172.536 0.4 1 283 31 35 SER CA C 59.61 0.4 1 284 31 35 SER CB C 65.56 0.4 1 285 31 35 SER N N 115.276 0.4 1 286 32 36 VAL H H 7.855 0.04 1 287 32 36 VAL HA H 4.347 0.04 1 288 32 36 VAL HB H 1.72 0.04 1 289 32 36 VAL HG1 H 0.78 0.04 2 290 32 36 VAL HG2 H 0.78 0.04 2 291 32 36 VAL C C 174.118 0.4 1 292 32 36 VAL CA C 62.06 0.4 1 293 32 36 VAL CB C 33.61 0.4 1 294 32 36 VAL CG1 C 21.64 0.4 2 295 32 36 VAL N N 118.868 0.4 1 296 33 37 LEU H H 7.482 0.04 1 297 33 37 LEU HA H 5.055 0.04 1 298 33 37 LEU HB2 H 1.515 0.04 2 299 33 37 LEU HB3 H 1.515 0.04 2 300 33 37 LEU C C 174.463 0.4 1 301 33 37 LEU CA C 52.84 0.4 1 302 33 37 LEU CB C 45.34 0.4 1 303 33 37 LEU CG C 26.57 0.4 1 304 33 37 LEU N N 128.716 0.4 1 305 34 38 VAL H H 8.984 0.04 1 306 34 38 VAL HA H 4.16 0.04 1 307 34 38 VAL HB H 2.055 0.04 1 308 34 38 VAL HG1 H 1.13 0.04 2 309 34 38 VAL HG2 H 1.13 0.04 2 310 34 38 VAL C C 173.223 0.4 1 311 34 38 VAL CA C 61.38 0.4 1 312 34 38 VAL CB C 32.85 0.4 1 313 34 38 VAL CG1 C 20.83 0.4 2 314 34 38 VAL N N 129.14 0.4 1 315 35 39 ASN H H 8.26 0.04 1 316 35 39 ASN HA H 4.724 0.04 1 317 35 39 ASN HB2 H 2.138 0.04 2 318 35 39 ASN HB3 H 1.667 0.04 2 319 35 39 ASN C C 175.207 0.4 1 320 35 39 ASN CA C 50.59 0.4 1 321 35 39 ASN CB C 41.32 0.4 1 322 35 39 ASN N N 118.9 0.4 1 323 36 40 ALA H H 6.375 0.04 1 324 36 40 ALA HA H 4.506 0.04 1 325 36 40 ALA HB H 1.319 0.04 1 326 36 40 ALA C C 174.136 0.4 1 327 36 40 ALA CA C 50.89 0.4 1 328 36 40 ALA CB C 17.87 0.4 1 329 36 40 ALA N N 131.036 0.4 1 330 37 41 ALA H H 8.204 0.04 1 331 37 41 ALA HA H 4.932 0.04 1 332 37 41 ALA HB H 1.484 0.04 1 333 37 41 ALA C C 175.777 0.4 1 334 37 41 ALA CA C 51.01 0.4 1 335 37 41 ALA CB C 22.4 0.4 1 336 37 41 ALA N N 128.6 0.4 1 337 38 42 ASN H H 7.373 0.04 1 338 38 42 ASN HA H 5.375 0.04 1 339 38 42 ASN HB2 H 3.499 0.04 2 340 38 42 ASN HB3 H 3.056 0.04 2 341 38 42 ASN C C 177.141 0.4 1 342 38 42 ASN CA C 51.05 0.4 1 343 38 42 ASN CB C 41.41 0.4 1 344 38 42 ASN N N 112.748 0.4 1 345 39 43 THR H H 8.278 0.04 1 346 39 43 THR HA H 4.246 0.04 1 347 39 43 THR HB H 4.086 0.04 1 348 39 43 THR HG2 H 1.279 0.04 1 349 39 43 THR C C 174.601 0.4 1 350 39 43 THR CA C 65.28 0.4 1 351 39 43 THR CB C 69.8 0.4 1 352 39 43 THR CG2 C 23.1 0.4 1 353 39 43 THR N N 107.581 0.4 1 354 40 44 HIS H H 7.363 0.04 1 355 40 44 HIS HA H 4.565 0.04 1 356 40 44 HIS HB2 H 3.366 0.04 2 357 40 44 HIS HB3 H 2.663 0.04 2 358 40 44 HIS C C 172.286 0.4 1 359 40 44 HIS CA C 56.42 0.4 1 360 40 44 HIS CB C 29.51 0.4 1 361 40 44 HIS N N 115.256 0.4 1 362 41 45 LEU H H 8.13 0.04 1 363 41 45 LEU HA H 3.373 0.04 1 364 41 45 LEU HB2 H 1.917 0.04 2 365 41 45 LEU HB3 H 1.917 0.04 2 366 41 45 LEU C C 173.476 0.4 1 367 41 45 LEU CA C 54.53 0.4 1 368 41 45 LEU CB C 39.84 0.4 1 369 41 45 LEU CG C 25.34 0.4 1 370 41 45 LEU N N 115 0.4 1 371 42 46 LYS H H 8.198 0.04 1 372 42 46 LYS HA H 4.168 0.04 1 373 42 46 LYS HB2 H 1.709 0.04 2 374 42 46 LYS HB3 H 1.709 0.04 2 375 42 46 LYS HD2 H 1.605 0.04 2 376 42 46 LYS HD3 H 1.605 0.04 2 377 42 46 LYS HE2 H 2.648 0.04 2 378 42 46 LYS HE3 H 2.648 0.04 2 379 42 46 LYS C C 177.032 0.4 1 380 42 46 LYS CA C 52.5 0.4 1 381 42 46 LYS CB C 31.75 0.4 1 382 42 46 LYS CG C 23.429 0.4 1 383 42 46 LYS CD C 24.43 0.4 1 384 42 46 LYS N N 115.926 0.4 1 385 43 47 HIS H H 9.018 0.04 1 386 43 47 HIS HA H 4.691 0.04 1 387 43 47 HIS HB2 H 2.863 0.04 2 388 43 47 HIS HB3 H 2.863 0.04 2 389 43 47 HIS C C 174.821 0.4 1 390 43 47 HIS CA C 54.64 0.4 1 391 43 47 HIS CB C 28.79 0.4 1 392 43 47 HIS N N 129.429 0.4 1 393 44 48 GLY H H 8.076 0.04 1 394 44 48 GLY HA2 H 4.274 0.04 2 395 44 48 GLY HA3 H 3.712 0.04 2 396 44 48 GLY C C 174.236 0.4 1 397 44 48 GLY CA C 46.02 0.4 1 398 44 48 GLY N N 110.322 0.4 1 399 45 49 GLY H H 8.153 0.04 1 400 45 49 GLY HA2 H 4.393 0.04 2 401 45 49 GLY HA3 H 4.085 0.04 2 402 45 49 GLY C C 174.116 0.4 1 403 45 49 GLY CA C 44.46 0.4 1 404 45 49 GLY N N 108.869 0.4 1 405 46 50 GLY H H 8.698 0.04 1 406 46 50 GLY HA2 H 4.078 0.04 2 407 46 50 GLY HA3 H 4.078 0.04 2 408 46 50 GLY C C 175.451 0.4 1 409 46 50 GLY CA C 45.99 0.4 1 410 46 50 GLY N N 108.277 0.4 1 411 47 51 ILE H H 8.769 0.04 1 412 47 51 ILE HA H 4.258 0.04 1 413 47 51 ILE HB H 2.1 0.04 1 414 47 51 ILE HG12 H 1.335 0.04 2 415 47 51 ILE HG13 H 1.26 0.04 2 416 47 51 ILE HG2 H 0.966 0.04 1 417 47 51 ILE HD1 H 0.902 0.04 1 418 47 51 ILE C C 175.869 0.4 1 419 47 51 ILE CA C 63.63 0.4 1 420 47 51 ILE CB C 37.73 0.4 1 421 47 51 ILE CG1 C 28.94 0.4 1 422 47 51 ILE CG2 C 17.434 0.4 1 423 47 51 ILE N N 126.246 0.4 1 424 48 52 ALA H H 8.59 0.04 1 425 48 52 ALA HA H 4.334 0.04 1 426 48 52 ALA HB H 1.867 0.04 1 427 48 52 ALA C C 181.065 0.4 1 428 48 52 ALA CA C 56.04 0.4 1 429 48 52 ALA CB C 18.85 0.4 1 430 48 52 ALA N N 127 0.4 1 431 49 53 GLY H H 7.733 0.04 1 432 49 53 GLY HA2 H 3.829 0.04 2 433 49 53 GLY HA3 H 3.614 0.04 2 434 49 53 GLY C C 176.849 0.4 1 435 49 53 GLY CA C 46.83 0.4 1 436 49 53 GLY N N 105.5 0.4 1 437 50 54 ALA H H 7.773 0.04 1 438 50 54 ALA HA H 4.246 0.04 1 439 50 54 ALA HB H 1.586 0.04 1 440 50 54 ALA C C 181.34 0.4 1 441 50 54 ALA CA C 55.24 0.4 1 442 50 54 ALA CB C 18.31 0.4 1 443 50 54 ALA N N 126.869 0.4 1 444 51 55 ILE H H 9.146 0.04 1 445 51 55 ILE HA H 3.473 0.04 1 446 51 55 ILE HB H 2.137 0.04 1 447 51 55 ILE HG12 H 1.442 0.04 2 448 51 55 ILE HG13 H 1.271 0.04 2 449 51 55 ILE HG2 H 0.805 0.04 1 450 51 55 ILE C C 177.984 0.4 1 451 51 55 ILE CA C 65.82 0.4 1 452 51 55 ILE CB C 37.98 0.4 1 453 51 55 ILE N N 122.853 0.4 1 454 52 56 ASN H H 8.547 0.04 1 455 52 56 ASN HA H 4.438 0.04 1 456 52 56 ASN HB2 H 2.695 0.04 2 457 52 56 ASN HB3 H 2.552 0.04 2 458 52 56 ASN C C 179.984 0.4 1 459 52 56 ASN CA C 57.14 0.4 1 460 52 56 ASN CB C 39.21 0.4 1 461 52 56 ASN N N 117.363 0.4 1 462 53 57 ALA H H 8.789 0.04 1 463 53 57 ALA HA H 4.265 0.04 1 464 53 57 ALA HB H 1.564 0.04 1 465 53 57 ALA C C 181.959 0.4 1 466 53 57 ALA CA C 55.54 0.4 1 467 53 57 ALA CB C 17.74 0.4 1 468 53 57 ALA N N 124.163 0.4 1 469 54 58 ALA H H 8.382 0.04 1 470 54 58 ALA HA H 4.245 0.04 1 471 54 58 ALA HB H 1.574 0.04 1 472 54 58 ALA C C 178.521 0.4 1 473 54 58 ALA CA C 55.1 0.4 1 474 54 58 ALA CB C 18.31 0.4 1 475 54 58 ALA N N 123.195 0.4 1 476 55 59 SER H H 7.853 0.04 1 477 55 59 SER HA H 4.872 0.04 1 478 55 59 SER HB2 H 4.137 0.04 2 479 55 59 SER HB3 H 3.804 0.04 2 480 55 59 SER C C 174.445 0.4 1 481 55 59 SER CA C 58.39 0.4 1 482 55 59 SER CB C 65.61 0.4 1 483 55 59 SER N N 111.567 0.4 1 484 56 60 LYS H H 8.398 0.04 1 485 56 60 LYS HA H 4.048 0.04 1 486 56 60 LYS HB2 H 2.144 0.04 2 487 56 60 LYS HB3 H 2.144 0.04 2 488 56 60 LYS HG2 H 1.407 0.04 2 489 56 60 LYS HG3 H 1.407 0.04 2 490 56 60 LYS C C 176.997 0.4 1 491 56 60 LYS CA C 57.39 0.4 1 492 56 60 LYS CB C 28.77 0.4 1 493 56 60 LYS CG C 25.2 0.4 1 494 56 60 LYS N N 122.224 0.4 1 495 57 61 GLY H H 7.842 0.04 1 496 57 61 GLY HA2 H 4.236 0.04 2 497 57 61 GLY HA3 H 3.944 0.04 2 498 57 61 GLY C C 175.212 0.4 1 499 57 61 GLY CA C 45.28 0.4 1 500 57 61 GLY N N 104 0.4 1 501 58 62 ALA H H 7.78 0.04 1 502 58 62 ALA HA H 4.12 0.04 1 503 58 62 ALA HB H 1.43 0.04 1 504 58 62 ALA C C 180.906 0.4 1 505 58 62 ALA CA C 55.15 0.4 1 506 58 62 ALA CB C 18.88 0.4 1 507 58 62 ALA N N 125.912 0.4 1 508 59 63 VAL H H 8.183 0.04 1 509 59 63 VAL HA H 4.072 0.04 1 510 59 63 VAL HB H 2.039 0.04 1 511 59 63 VAL HG1 H 0.619 0.04 2 512 59 63 VAL HG2 H 0.619 0.04 2 513 59 63 VAL C C 179.459 0.4 1 514 59 63 VAL CA C 66.4 0.4 1 515 59 63 VAL CB C 31.16 0.4 1 516 59 63 VAL CG1 C 20.74 0.4 2 517 59 63 VAL N N 117.795 0.4 1 518 60 64 GLN H H 8.213 0.04 1 519 60 64 GLN HA H 4.17 0.04 1 520 60 64 GLN HB2 H 2.281 0.04 2 521 60 64 GLN HB3 H 2.281 0.04 2 522 60 64 GLN HG2 H 2.086 0.04 2 523 60 64 GLN HG3 H 2.086 0.04 2 524 60 64 GLN C C 176.966 0.4 1 525 60 64 GLN CA C 58.32 0.4 1 526 60 64 GLN CB C 29.71 0.4 1 527 60 64 GLN CG C 34.197 0.4 1 528 60 64 GLN N N 123.379 0.4 1 529 61 65 LYS H H 7.669 0.04 1 530 61 65 LYS HA H 4.24 0.04 1 531 61 65 LYS HB2 H 1.984 0.04 2 532 61 65 LYS HB3 H 1.984 0.04 2 533 61 65 LYS C C 178.62 0.4 1 534 61 65 LYS CA C 60.12 0.4 1 535 61 65 LYS CB C 32.43 0.4 1 536 61 65 LYS CG C 24.553 0.4 1 537 61 65 LYS N N 119.977 0.4 1 538 62 66 GLU H H 7.958 0.04 1 539 62 66 GLU HA H 4.243 0.04 1 540 62 66 GLU HB2 H 2.628 0.04 2 541 62 66 GLU HB3 H 2.628 0.04 2 542 62 66 GLU HG2 H 2.202 0.04 2 543 62 66 GLU HG3 H 2.202 0.04 2 544 62 66 GLU C C 179.869 0.4 1 545 62 66 GLU CA C 58.91 0.4 1 546 62 66 GLU CB C 30.27 0.4 1 547 62 66 GLU CG C 36.241 0.4 1 548 62 66 GLU N N 119.601 0.4 1 549 63 67 SER H H 8.409 0.04 1 550 63 67 SER HA H 4.036 0.04 1 551 63 67 SER HB2 H 4.166 0.04 2 552 63 67 SER HB3 H 4.166 0.04 2 553 63 67 SER C C 174.34 0.4 1 554 63 67 SER CA C 62.91 0.4 1 555 63 67 SER CB C 62.99 0.4 1 556 63 67 SER N N 117.494 0.4 1 557 64 68 ASP H H 8.902 0.04 1 558 64 68 ASP HA H 4.413 0.04 1 559 64 68 ASP HB2 H 2.955 0.04 2 560 64 68 ASP HB3 H 2.696 0.04 2 561 64 68 ASP C C 179.664 0.4 1 562 64 68 ASP CA C 57.67 0.4 1 563 64 68 ASP CB C 39.68 0.4 1 564 64 68 ASP N N 123.103 0.4 1 565 65 69 GLU H H 7.693 0.04 1 566 65 69 GLU HA H 4.023 0.04 1 567 65 69 GLU HB2 H 2.286 0.04 2 568 65 69 GLU HB3 H 2.286 0.04 2 569 65 69 GLU HG2 H 2.595 0.04 2 570 65 69 GLU HG3 H 2.595 0.04 2 571 65 69 GLU C C 178.906 0.4 1 572 65 69 GLU CA C 59.95 0.4 1 573 65 69 GLU CB C 29.38 0.4 1 574 65 69 GLU CG C 36.367 0.4 1 575 65 69 GLU N N 119.683 0.4 1 576 66 70 TYR H H 8.148 0.04 1 577 66 70 TYR HA H 4.138 0.04 1 578 66 70 TYR HB2 H 3.292 0.04 2 579 66 70 TYR HB3 H 3.112 0.04 2 580 66 70 TYR C C 176.961 0.4 1 581 66 70 TYR CA C 62.75 0.4 1 582 66 70 TYR CB C 38.18 0.4 1 583 66 70 TYR N N 123.024 0.4 1 584 67 71 ILE H H 8.629 0.04 1 585 67 71 ILE HA H 3.627 0.04 1 586 67 71 ILE HB H 2.202 0.04 1 587 67 71 ILE HG12 H 1.461 0.04 2 588 67 71 ILE HG13 H 1.461 0.04 2 589 67 71 ILE HG2 H 0.757 0.04 1 590 67 71 ILE C C 180.378 0.4 1 591 67 71 ILE CA C 61.31 0.4 1 592 67 71 ILE CB C 35.33 0.4 1 593 67 71 ILE CG1 C 26.3 0.4 1 594 67 71 ILE CG2 C 16.9 0.4 1 595 67 71 ILE N N 120.257 0.4 1 596 68 72 LEU H H 7.93 0.04 1 597 68 72 LEU HA H 4.041 0.04 1 598 68 72 LEU HB2 H 1.669 0.04 2 599 68 72 LEU HB3 H 1.669 0.04 2 600 68 72 LEU HG H 1.72 0.04 1 601 68 72 LEU HD1 H 0.893 0.04 2 602 68 72 LEU HD2 H 0.893 0.04 2 603 68 72 LEU C C 178.149 0.4 1 604 68 72 LEU CA C 58.29 0.4 1 605 68 72 LEU CB C 42.15 0.4 1 606 68 72 LEU CG C 24.005 0.4 1 607 68 72 LEU N N 121.294 0.4 1 608 69 73 ALA H H 7.34 0.04 1 609 69 73 ALA HA H 4.248 0.04 1 610 69 73 ALA HB H 1.438 0.04 1 611 69 73 ALA C C 179.787 0.4 1 612 69 73 ALA CA C 54.61 0.4 1 613 69 73 ALA CB C 19.55 0.4 1 614 69 73 ALA N N 118.866 0.4 1 615 70 74 LYS H H 8.479 0.04 1 616 70 74 LYS HA H 4.313 0.04 1 617 70 74 LYS HB2 H 1.682 0.04 2 618 70 74 LYS HB3 H 1.682 0.04 2 619 70 74 LYS HG2 H 1.087 0.04 2 620 70 74 LYS HG3 H 1.087 0.04 2 621 70 74 LYS C C 177.883 0.4 1 622 70 74 LYS CA C 55.83 0.4 1 623 70 74 LYS CB C 33.51 0.4 1 624 70 74 LYS CG C 24.105 0.4 1 625 70 74 LYS N N 115.68 0.4 1 626 71 75 GLY H H 8.147 0.04 1 627 71 75 GLY HA2 H 4.306 0.04 2 628 71 75 GLY HA3 H 3.931 0.04 2 629 71 75 GLY C C 169.535 0.4 1 630 71 75 GLY CA C 44.58 0.4 1 631 71 75 GLY N N 110.774 0.4 1 632 72 76 PRO HA H 4.312 0.04 1 633 72 76 PRO HB2 H 1.203 0.04 2 634 72 76 PRO HB3 H 1.551 0.04 2 635 72 76 PRO HG2 H 1.81 0.04 2 636 72 76 PRO HG3 H 1.81 0.04 2 637 72 76 PRO C C 176.914 0.4 1 638 72 76 PRO CA C 62.57 0.4 1 639 72 76 PRO CB C 31.78 0.4 1 640 72 76 PRO CG C 27.117 0.4 1 641 73 77 LEU H H 8.493 0.04 1 642 73 77 LEU HA H 4.409 0.04 1 643 73 77 LEU HB2 H 1.83 0.04 2 644 73 77 LEU HB3 H 1.482 0.04 2 645 73 77 LEU HD1 H 0.837 0.04 2 646 73 77 LEU HD2 H 0.837 0.04 2 647 73 77 LEU C C 176.711 0.4 1 648 73 77 LEU CA C 55.76 0.4 1 649 73 77 LEU CB C 44.25 0.4 1 650 73 77 LEU CG C 25.184 0.4 1 651 73 77 LEU N N 123.021 0.4 1 652 74 78 GLN H H 8.479 0.04 1 653 74 78 GLN HA H 4.432 0.04 1 654 74 78 GLN HB2 H 1.889 0.04 2 655 74 78 GLN HB3 H 1.889 0.04 2 656 74 78 GLN HG2 H 2.429 0.04 2 657 74 78 GLN HG3 H 2.429 0.04 2 658 74 78 GLN C C 176.229 0.4 1 659 74 78 GLN CA C 54.02 0.4 1 660 74 78 GLN CB C 29.88 0.4 1 661 74 78 GLN CG C 33.891 0.4 1 662 74 78 GLN N N 116.997 0.4 1 663 75 79 VAL H H 8.334 0.04 1 664 75 79 VAL HA H 3.328 0.04 1 665 75 79 VAL HB H 1.8 0.04 1 666 75 79 VAL HG1 H 0.632 0.04 2 667 75 79 VAL HG2 H 0.632 0.04 2 668 75 79 VAL C C 177.353 0.4 1 669 75 79 VAL CA C 56.22 0.4 1 670 75 79 VAL CB C 30.32 0.4 1 671 75 79 VAL CG1 C 21.9 0.4 2 672 75 79 VAL N N 120.487 0.4 1 673 76 80 GLY H H 9.204 0.04 1 674 76 80 GLY HA2 H 4.246 0.04 2 675 76 80 GLY HA3 H 3.606 0.04 2 676 76 80 GLY C C 172.464 0.4 1 677 76 80 GLY CA C 45.23 0.4 1 678 76 80 GLY N N 118.336 0.4 1 679 77 81 ASP H H 7.983 0.04 1 680 77 81 ASP HA H 4.747 0.04 1 681 77 81 ASP HB2 H 2.714 0.04 2 682 77 81 ASP HB3 H 3.185 0.04 2 683 77 81 ASP C C 173.931 0.4 1 684 77 81 ASP CA C 54.26 0.4 1 685 77 81 ASP CB C 43.22 0.4 1 686 77 81 ASP N N 119.786 0.4 1 687 78 82 SER H H 7.944 0.04 1 688 78 82 SER HA H 5.635 0.04 1 689 78 82 SER HB2 H 3.744 0.04 2 690 78 82 SER HB3 H 3.463 0.04 2 691 78 82 SER C C 173.66 0.4 1 692 78 82 SER CA C 56.58 0.4 1 693 78 82 SER CB C 67.5 0.4 1 694 78 82 SER N N 108.201 0.4 1 695 79 83 VAL H H 8.751 0.04 1 696 79 83 VAL HA H 4.483 0.04 1 697 79 83 VAL HB H 1.848 0.04 1 698 79 83 VAL HG1 H 0.615 0.04 2 699 79 83 VAL HG2 H 0.615 0.04 2 700 79 83 VAL C C 172.156 0.4 1 701 79 83 VAL CA C 60.52 0.4 1 702 79 83 VAL CB C 34.64 0.4 1 703 79 83 VAL CG1 C 21.19 0.4 2 704 79 83 VAL CG2 C 19.63 0.4 2 705 79 83 VAL N N 117.42 0.4 1 706 80 84 LEU H H 8.668 0.04 1 707 80 84 LEU HA H 4.468 0.04 1 708 80 84 LEU HB2 H 2.052 0.04 2 709 80 84 LEU HB3 H 2.052 0.04 2 710 80 84 LEU HG H 1.26 0.04 1 711 80 84 LEU C C 175.528 0.4 1 712 80 84 LEU CA C 54.61 0.4 1 713 80 84 LEU CB C 42.69 0.4 1 714 80 84 LEU CG C 25.32 0.4 1 715 80 84 LEU N N 131.994 0.4 1 716 81 85 LEU H H 9.251 0.04 1 717 81 85 LEU HA H 5.026 0.04 1 718 81 85 LEU HB2 H 1.939 0.04 2 719 81 85 LEU HB3 H 1.939 0.04 2 720 81 85 LEU C C 177.823 0.4 1 721 81 85 LEU CA C 53.73 0.4 1 722 81 85 LEU CB C 42.78 0.4 1 723 81 85 LEU N N 131.118 0.4 1 724 82 86 GLN H H 9.924 0.04 1 725 82 86 GLN HA H 4.13 0.04 1 726 82 86 GLN HB2 H 2.09 0.04 2 727 82 86 GLN HB3 H 2.09 0.04 2 728 82 86 GLN HG2 H 2.383 0.04 2 729 82 86 GLN HG3 H 2.383 0.04 2 730 82 86 GLN C C 176.514 0.4 1 731 82 86 GLN CA C 58.28 0.4 1 732 82 86 GLN CB C 29.36 0.4 1 733 82 86 GLN CG C 35.45 0.4 1 734 82 86 GLN N N 121.384 0.4 1 735 83 87 GLY H H 8.655 0.04 1 736 83 87 GLY HA2 H 3.97 0.04 2 737 83 87 GLY HA3 H 3.76 0.04 2 738 83 87 GLY C C 174.676 0.4 1 739 83 87 GLY CA C 45.4 0.4 1 740 83 87 GLY N N 104.496 0.4 1 741 84 88 HIS H H 7.798 0.04 1 742 84 88 HIS HA H 4.077 0.04 1 743 84 88 HIS HB2 H 3.19 0.04 2 744 84 88 HIS HB3 H 2.883 0.04 2 745 84 88 HIS C C 174.876 0.4 1 746 84 88 HIS CA C 57.73 0.4 1 747 84 88 HIS CB C 27.99 0.4 1 748 84 88 HIS N N 114.248 0.4 1 749 85 89 SER H H 8.694 0.04 1 750 85 89 SER HA H 4.048 0.04 1 751 85 89 SER HB2 H 4.033 0.04 2 752 85 89 SER HB3 H 4.033 0.04 2 753 85 89 SER C C 175.159 0.4 1 754 85 89 SER CA C 60.95 0.4 1 755 85 89 SER CB C 62.95 0.4 1 756 85 89 SER N N 108.666 0.4 1 757 86 90 LEU H H 8.53 0.04 1 758 86 90 LEU HA H 4.145 0.04 1 759 86 90 LEU HB2 H 1.799 0.04 2 760 86 90 LEU HB3 H 1.799 0.04 2 761 86 90 LEU HG H 1.348 0.04 1 762 86 90 LEU C C 176.087 0.4 1 763 86 90 LEU CA C 56.36 0.4 1 764 86 90 LEU CB C 41.92 0.4 1 765 86 90 LEU CG C 26.057 0.4 1 766 86 90 LEU N N 122.708 0.4 1 767 87 91 ALA H H 7.338 0.04 1 768 87 91 ALA HA H 4.463 0.04 1 769 87 91 ALA HB H 1.314 0.04 1 770 87 91 ALA C C 175.944 0.4 1 771 87 91 ALA CA C 50.53 0.4 1 772 87 91 ALA CB C 21.08 0.4 1 773 87 91 ALA N N 116.1 0.4 1 774 88 92 LYS H H 8.884 0.04 1 775 88 92 LYS HA H 4.006 0.04 1 776 88 92 LYS HB2 H 1.709 0.04 2 777 88 92 LYS HB3 H 1.709 0.04 2 778 88 92 LYS HG2 H 1.459 0.04 2 779 88 92 LYS HG3 H 1.459 0.04 2 780 88 92 LYS HD2 H 1.518 0.04 2 781 88 92 LYS HD3 H 1.518 0.04 2 782 88 92 LYS C C 177.284 0.4 1 783 88 92 LYS CA C 60.47 0.4 1 784 88 92 LYS CB C 32.55 0.4 1 785 88 92 LYS CG C 24.198 0.4 1 786 88 92 LYS N N 122.415 0.4 1 787 89 93 ASN H H 7.451 0.04 1 788 89 93 ASN HA H 4.541 0.04 1 789 89 93 ASN HB2 H 1.881 0.04 2 790 89 93 ASN HB3 H 2.865 0.04 2 791 89 93 ASN C C 172.161 0.4 1 792 89 93 ASN CA C 54.19 0.4 1 793 89 93 ASN CB C 47.3 0.4 1 794 89 93 ASN N N 108.215 0.4 1 795 90 94 ILE H H 7.105 0.04 1 796 90 94 ILE HA H 5.097 0.04 1 797 90 94 ILE HB H 1.424 0.04 1 798 90 94 ILE HG2 H 0.799 0.04 1 799 90 94 ILE C C 173.533 0.4 1 800 90 94 ILE CA C 60 0.4 1 801 90 94 ILE CB C 39.43 0.4 1 802 90 94 ILE N N 119.493 0.4 1 803 91 95 LEU H H 8.644 0.04 1 804 91 95 LEU HA H 4.734 0.04 1 805 91 95 LEU HB2 H 1.738 0.04 2 806 91 95 LEU HB3 H 1.738 0.04 2 807 91 95 LEU C C 174.436 0.4 1 808 91 95 LEU CA C 52.51 0.4 1 809 91 95 LEU CB C 43.34 0.4 1 810 91 95 LEU N N 129.738 0.4 1 811 92 96 HIS H H 9.219 0.04 1 812 92 96 HIS HA H 4.683 0.04 1 813 92 96 HIS HB2 H 3.085 0.04 2 814 92 96 HIS HB3 H 2.544 0.04 2 815 92 96 HIS C C 174.942 0.4 1 816 92 96 HIS CA C 56.49 0.4 1 817 92 96 HIS CB C 31.36 0.4 1 818 92 96 HIS N N 130.227 0.4 1 819 93 97 VAL H H 8.633 0.04 1 820 93 97 VAL HA H 4.606 0.04 1 821 93 97 VAL HB H 1.799 0.04 1 822 93 97 VAL HG1 H 0.781 0.04 2 823 93 97 VAL HG2 H 0.781 0.04 2 824 93 97 VAL C C 174.455 0.4 1 825 93 97 VAL CA C 60.24 0.4 1 826 93 97 VAL CB C 34.42 0.4 1 827 93 97 VAL CG1 C 21.528 0.4 2 828 93 97 VAL N N 121.466 0.4 1 829 94 98 VAL H H 8.271 0.04 1 830 94 98 VAL HA H 4.318 0.04 1 831 94 98 VAL HB H 2.195 0.04 1 832 94 98 VAL HG1 H 0.509 0.04 2 833 94 98 VAL HG2 H 0.509 0.04 2 834 94 98 VAL C C 175.337 0.4 1 835 94 98 VAL CA C 60.59 0.4 1 836 94 98 VAL CB C 30.07 0.4 1 837 94 98 VAL CG1 C 22.212 0.4 2 838 94 98 VAL N N 127.353 0.4 1 839 95 99 GLY H H 9.004 0.04 1 840 95 99 GLY HA2 H 4.333 0.04 2 841 95 99 GLY HA3 H 3.536 0.04 2 842 95 99 GLY C C 170.353 0.4 1 843 95 99 GLY CA C 44.06 0.4 1 844 95 99 GLY N N 114.498 0.4 1 845 96 100 PRO HA H 5.436 0.04 1 846 96 100 PRO HB2 H 2.32 0.04 2 847 96 100 PRO HB3 H 2.045 0.04 2 848 96 100 PRO C C 175.369 0.4 1 849 96 100 PRO CA C 62.12 0.4 1 850 96 100 PRO CB C 32.15 0.4 1 851 97 101 ASP H H 8.759 0.04 1 852 97 101 ASP HA H 4.553 0.04 1 853 97 101 ASP HB2 H 2.273 0.04 2 854 97 101 ASP HB3 H 1.262 0.04 2 855 97 101 ASP C C 178.148 0.4 1 856 97 101 ASP CA C 51.86 0.4 1 857 97 101 ASP CB C 40.17 0.4 1 858 97 101 ASP N N 120.873 0.4 1 859 98 102 ALA H H 9.47 0.04 1 860 98 102 ALA HA H 4.213 0.04 1 861 98 102 ALA HB H 1.559 0.04 1 862 98 102 ALA C C 182.006 0.4 1 863 98 102 ALA CA C 54.78 0.4 1 864 98 102 ALA CB C 18.22 0.4 1 865 98 102 ALA N N 130.289 0.4 1 866 99 103 ARG H H 8.508 0.04 1 867 99 103 ARG HA H 4.093 0.04 1 868 99 103 ARG HB2 H 2.043 0.04 2 869 99 103 ARG HB3 H 2.043 0.04 2 870 99 103 ARG HG2 H 1.46 0.04 2 871 99 103 ARG HG3 H 1.46 0.04 2 872 99 103 ARG C C 177.978 0.4 1 873 99 103 ARG CA C 58.34 0.4 1 874 99 103 ARG CB C 29.69 0.4 1 875 99 103 ARG CG C 25.123 0.4 1 876 99 103 ARG N N 119.419 0.4 1 877 100 104 ALA H H 6.787 0.04 1 878 100 104 ALA HA H 4.501 0.04 1 879 100 104 ALA C C 175.926 0.4 1 880 100 104 ALA CA C 50.65 0.4 1 881 100 104 ALA CB C 18.93 0.4 1 882 100 104 ALA N N 118.704 0.4 1 883 101 105 LYS H H 7.792 0.04 1 884 101 105 LYS HA H 3.988 0.04 1 885 101 105 LYS HB2 H 2.024 0.04 2 886 101 105 LYS HB3 H 2.024 0.04 2 887 101 105 LYS HG2 H 1.347 0.04 2 888 101 105 LYS HG3 H 1.347 0.04 2 889 101 105 LYS C C 176.158 0.4 1 890 101 105 LYS CA C 57.11 0.4 1 891 101 105 LYS CB C 28.58 0.4 1 892 101 105 LYS CG C 24.668 0.4 1 893 101 105 LYS N N 113.435 0.4 1 894 102 106 GLN H H 6.938 0.04 1 895 102 106 GLN HA H 4.199 0.04 1 896 102 106 GLN HB2 H 1.683 0.04 2 897 102 106 GLN HB3 H 1.683 0.04 2 898 102 106 GLN HG2 H 2.35 0.04 2 899 102 106 GLN HG3 H 2.35 0.04 2 900 102 106 GLN C C 175.619 0.4 1 901 102 106 GLN CA C 55.74 0.4 1 902 102 106 GLN CB C 28.23 0.4 1 903 102 106 GLN CG C 33.875 0.4 1 904 102 106 GLN N N 116.46 0.4 1 905 103 107 ASP H H 8.323 0.04 1 906 103 107 ASP HA H 4.368 0.04 1 907 103 107 ASP HB2 H 2.814 0.04 2 908 103 107 ASP HB3 H 2.668 0.04 2 909 103 107 ASP C C 176.843 0.4 1 910 103 107 ASP CA C 54.65 0.4 1 911 103 107 ASP CB C 41.28 0.4 1 912 103 107 ASP N N 120.138 0.4 1 913 104 108 VAL H H 8.437 0.04 1 914 104 108 VAL HA H 3.503 0.04 1 915 104 108 VAL HB H 2.137 0.04 1 916 104 108 VAL HG1 H 1.092 0.04 2 917 104 108 VAL HG2 H 1.092 0.04 2 918 104 108 VAL C C 176.061 0.4 1 919 104 108 VAL CA C 65.67 0.4 1 920 104 108 VAL CB C 31.98 0.4 1 921 104 108 VAL CG1 C 22.88 0.4 2 922 104 108 VAL CG2 C 21.49 0.4 2 923 104 108 VAL N N 128.1 0.4 1 924 105 109 SER H H 8.421 0.04 1 925 105 109 SER HA H 4.25 0.04 1 926 105 109 SER HB2 H 4.007 0.04 2 927 105 109 SER HB3 H 4.007 0.04 2 928 105 109 SER C C 177.559 0.4 1 929 105 109 SER CA C 60.93 0.4 1 930 105 109 SER CB C 63.03 0.4 1 931 105 109 SER N N 114.487 0.4 1 932 106 110 LEU H H 7.853 0.04 1 933 106 110 LEU HA H 4.285 0.04 1 934 106 110 LEU HB2 H 1.68 0.04 2 935 106 110 LEU HB3 H 1.68 0.04 2 936 106 110 LEU C C 178.728 0.4 1 937 106 110 LEU CA C 57.26 0.4 1 938 106 110 LEU CB C 41.78 0.4 1 939 106 110 LEU CG C 34.18 0.4 1 940 106 110 LEU N N 124.458 0.4 1 941 107 111 LEU H H 8.327 0.04 1 942 107 111 LEU HA H 3.737 0.04 1 943 107 111 LEU HB2 H 1.121 0.04 2 944 107 111 LEU HB3 H 1.121 0.04 2 945 107 111 LEU HG H 1.078 0.04 1 946 107 111 LEU C C 178.817 0.4 1 947 107 111 LEU CA C 58.3 0.4 1 948 107 111 LEU CB C 41.28 0.4 1 949 107 111 LEU CG C 26.345 0.4 1 950 107 111 LEU N N 119.933 0.4 1 951 108 112 SER H H 7.712 0.04 1 952 108 112 SER HA H 4.269 0.04 1 953 108 112 SER HB2 H 4.044 0.04 2 954 108 112 SER HB3 H 4.044 0.04 2 955 108 112 SER C C 175.572 0.4 1 956 108 112 SER CA C 63.46 0.4 1 957 108 112 SER CB C 63.37 0.4 1 958 108 112 SER N N 113.68 0.4 1 959 109 113 LYS H H 6.982 0.04 1 960 109 113 LYS HA H 3.952 0.04 1 961 109 113 LYS HB2 H 2.071 0.04 2 962 109 113 LYS HB3 H 2.071 0.04 2 963 109 113 LYS HG2 H 1.407 0.04 2 964 109 113 LYS HG3 H 1.407 0.04 2 965 109 113 LYS C C 180.153 0.4 1 966 109 113 LYS CA C 60.13 0.4 1 967 109 113 LYS CB C 33.01 0.4 1 968 109 113 LYS CG C 25.419 0.4 1 969 109 113 LYS N N 120.165 0.4 1 970 110 114 CYS H H 7.443 0.04 1 971 110 114 CYS HA H 3.822 0.04 1 972 110 114 CYS HB2 H 2.683 0.04 2 973 110 114 CYS HB3 H 2.12 0.04 2 974 110 114 CYS C C 174.766 0.4 1 975 110 114 CYS CA C 63.64 0.4 1 976 110 114 CYS CB C 27.06 0.4 1 977 110 114 CYS N N 117.636 0.4 1 978 111 115 TYR H H 7.863 0.04 1 979 111 115 TYR HA H 4.608 0.04 1 980 111 115 TYR HB2 H 3.043 0.04 2 981 111 115 TYR HB3 H 2.594 0.04 2 982 111 115 TYR C C 179.334 0.4 1 983 111 115 TYR CA C 61.73 0.4 1 984 111 115 TYR CB C 37.84 0.4 1 985 111 115 TYR N N 113.1 0.4 1 986 112 116 LYS H H 8.541 0.04 1 987 112 116 LYS HA H 4.055 0.04 1 988 112 116 LYS HB2 H 1.93 0.04 2 989 112 116 LYS HB3 H 1.93 0.04 2 990 112 116 LYS C C 179.9 0.4 1 991 112 116 LYS CA C 60.38 0.4 1 992 112 116 LYS CB C 32.58 0.4 1 993 112 116 LYS CG C 26.17 0.4 1 994 112 116 LYS N N 119.798 0.4 1 995 113 117 ALA H H 7.232 0.04 1 996 113 117 ALA HA H 4.144 0.04 1 997 113 117 ALA HB H 1.567 0.04 1 998 113 117 ALA C C 179.054 0.4 1 999 113 117 ALA CA C 54.69 0.4 1 1000 113 117 ALA CB C 18.26 0.4 1 1001 113 117 ALA N N 119.4 0.4 1 1002 114 118 MET H H 7.425 0.04 1 1003 114 118 MET HA H 4.018 0.04 1 1004 114 118 MET HB2 H 2.43 0.04 2 1005 114 118 MET HB3 H 2.082 0.04 2 1006 114 118 MET C C 175.374 0.4 1 1007 114 118 MET CA C 58.44 0.4 1 1008 114 118 MET CB C 31.3 0.4 1 1009 114 118 MET N N 113.8 0.4 1 1010 115 119 ASN H H 7.152 0.04 1 1011 115 119 ASN HA H 4.573 0.04 1 1012 115 119 ASN HB2 H 2.886 0.04 2 1013 115 119 ASN HB3 H 2.767 0.04 2 1014 115 119 ASN C C 174.931 0.4 1 1015 115 119 ASN CA C 54.54 0.4 1 1016 115 119 ASN CB C 38.17 0.4 1 1017 115 119 ASN N N 111 0.4 1 1018 116 120 ALA H H 6.548 0.04 1 1019 116 120 ALA HA H 3.929 0.04 1 1020 116 120 ALA HB H 0.731 0.04 1 1021 116 120 ALA C C 175.3 0.4 1 1022 116 120 ALA CA C 52.64 0.4 1 1023 116 120 ALA CB C 18.11 0.4 1 1024 116 120 ALA N N 119.914 0.4 1 1025 117 121 TYR H H 7.125 0.04 1 1026 117 121 TYR HA H 4.955 0.04 1 1027 117 121 TYR HB2 H 3.245 0.04 2 1028 117 121 TYR HB3 H 2.55 0.04 2 1029 117 121 TYR C C 174.307 0.4 1 1030 117 121 TYR CA C 54.87 0.4 1 1031 117 121 TYR CB C 38.88 0.4 1 1032 117 121 TYR N N 119.041 0.4 1 1033 118 122 PRO HA H 4.257 0.04 1 1034 118 122 PRO HB2 H 2.109 0.04 2 1035 118 122 PRO HB3 H 2.109 0.04 2 1036 118 122 PRO HG2 H 1.925 0.04 2 1037 118 122 PRO HG3 H 1.925 0.04 2 1038 118 122 PRO C C 175.739 0.4 1 1039 118 122 PRO CA C 64.73 0.4 1 1040 118 122 PRO CB C 32.3 0.4 1 1041 118 122 PRO CG C 26.982 0.4 1 1042 119 123 LEU H H 7.538 0.04 1 1043 119 123 LEU HA H 5.053 0.04 1 1044 119 123 LEU HB2 H 1.45 0.04 2 1045 119 123 LEU HB3 H 1.45 0.04 2 1046 119 123 LEU C C 175.011 0.4 1 1047 119 123 LEU CA C 55.32 0.4 1 1048 119 123 LEU CB C 43.96 0.4 1 1049 119 123 LEU CG C 22.414 0.4 1 1050 119 123 LEU CD1 C 20.886 0.4 2 1051 119 123 LEU N N 118.221 0.4 1 1052 120 124 VAL H H 8.954 0.04 1 1053 120 124 VAL HA H 4.962 0.04 1 1054 120 124 VAL HB H 1.944 0.04 1 1055 120 124 VAL HG1 H 1.052 0.04 2 1056 120 124 VAL HG2 H 1.052 0.04 2 1057 120 124 VAL C C 173.237 0.4 1 1058 120 124 VAL CA C 61.01 0.4 1 1059 120 124 VAL CB C 35.6 0.4 1 1060 120 124 VAL CG1 C 22.729 0.4 2 1061 120 124 VAL N N 130.301 0.4 1 1062 121 125 VAL H H 8.939 0.04 1 1063 121 125 VAL HA H 5.022 0.04 1 1064 121 125 VAL HB H 1.96 0.04 1 1065 121 125 VAL HG1 H 0.84 0.04 2 1066 121 125 VAL HG2 H 0.84 0.04 2 1067 121 125 VAL C C 174.181 0.4 1 1068 121 125 VAL CA C 61.16 0.4 1 1069 121 125 VAL CB C 33.11 0.4 1 1070 121 125 VAL CG1 C 20.99 0.4 2 1071 121 125 VAL CG2 C 21.74 0.4 2 1072 121 125 VAL N N 127.75 0.4 1 1073 122 126 THR H H 9.163 0.04 1 1074 122 126 THR HA H 5.697 0.04 1 1075 122 126 THR HB H 3.756 0.04 1 1076 122 126 THR HG2 H 1.111 0.04 1 1077 122 126 THR C C 170.882 0.4 1 1078 122 126 THR CA C 56.61 0.4 1 1079 122 126 THR CB C 72.69 0.4 1 1080 122 126 THR N N 121.342 0.4 1 1081 123 127 PRO HA H 5.446 0.04 1 1082 123 127 PRO HB2 H 2.316 0.04 2 1083 123 127 PRO HB3 H 2.051 0.04 2 1084 123 127 PRO C C 176.711 0.4 1 1085 123 127 PRO CA C 62.02 0.4 1 1086 123 127 PRO CB C 33.27 0.4 1 1087 124 128 LEU H H 8.75 0.04 1 1088 124 128 LEU HA H 4.504 0.04 1 1089 124 128 LEU HB2 H 1.835 0.04 2 1090 124 128 LEU HB3 H 1.835 0.04 2 1091 124 128 LEU HG H 1.264 0.04 1 1092 124 128 LEU C C 176.568 0.4 1 1093 124 128 LEU CA C 54.63 0.4 1 1094 124 128 LEU CB C 41.58 0.4 1 1095 124 128 LEU CG C 25.852 0.4 1 1096 124 128 LEU N N 117.423 0.4 1 1097 125 129 VAL H H 7.82 0.04 1 1098 125 129 VAL HA H 3.302 0.04 1 1099 125 129 VAL HB H 1.508 0.04 1 1100 125 129 VAL HG1 H 0.632 0.04 2 1101 125 129 VAL HG2 H 0.632 0.04 2 1102 125 129 VAL C C 176.176 0.4 1 1103 125 129 VAL CA C 65.63 0.4 1 1104 125 129 VAL CB C 31.22 0.4 1 1105 125 129 VAL CG1 C 22.065 0.4 2 1106 125 129 VAL N N 130.17 0.4 1 1107 126 130 SER H H 9.057 0.04 1 1108 126 130 SER HA H 4.243 0.04 1 1109 126 130 SER HB2 H 4.257 0.04 2 1110 126 130 SER HB3 H 4.257 0.04 2 1111 126 130 SER C C 171.342 0.4 1 1112 126 130 SER CA C 64.05 0.4 1 1113 126 130 SER CB C 60.89 0.4 1 1114 126 130 SER N N 118 0.4 1 1115 127 131 ALA H H 7.134 0.04 1 1116 127 131 ALA HA H 5.305 0.04 1 1117 127 131 ALA HB H 1.371 0.04 1 1118 127 131 ALA C C 177.948 0.4 1 1119 127 131 ALA CA C 51.42 0.4 1 1120 127 131 ALA CB C 19.61 0.4 1 1121 127 131 ALA N N 120.128 0.4 1 1122 128 132 GLY H H 8.763 0.04 1 1123 128 132 GLY HA2 H 4.097 0.04 2 1124 128 132 GLY HA3 H 4.197 0.04 2 1125 128 132 GLY C C 176.225 0.4 1 1126 128 132 GLY CA C 45.8 0.4 1 1127 128 132 GLY N N 112.435 0.4 1 1128 129 133 ILE H H 8.729 0.04 1 1129 129 133 ILE HA H 4.067 0.04 1 1130 129 133 ILE HB H 1.9 0.04 1 1131 129 133 ILE HG12 H 1.983 0.04 2 1132 129 133 ILE HG13 H 1.572 0.04 2 1133 129 133 ILE HG2 H 0.969 0.04 1 1134 129 133 ILE C C 176.598 0.4 1 1135 129 133 ILE CA C 63.82 0.4 1 1136 129 133 ILE CB C 38.4 0.4 1 1137 129 133 ILE CG1 C 28.106 0.4 1 1138 129 133 ILE CG2 C 17.471 0.4 1 1139 129 133 ILE N N 129.609 0.4 1 1140 130 134 PHE H H 7.913 0.04 1 1141 130 134 PHE HA H 4.979 0.04 1 1142 130 134 PHE HB2 H 4.032 0.04 2 1143 130 134 PHE HB3 H 3.428 0.04 2 1144 130 134 PHE C C 178.549 0.4 1 1145 130 134 PHE CA C 56.49 0.4 1 1146 130 134 PHE CB C 37.44 0.4 1 1147 130 134 PHE N N 119.324 0.4 1 1148 131 135 GLY H H 7.903 0.04 1 1149 131 135 GLY HA2 H 3.927 0.04 2 1150 131 135 GLY HA3 H 3.927 0.04 2 1151 131 135 GLY C C 175.159 0.4 1 1152 131 135 GLY CA C 47.7 0.4 1 1153 131 135 GLY N N 102.439 0.4 1 1154 132 136 VAL H H 8.53 0.04 1 1155 132 136 VAL HA H 4.123 0.04 1 1156 132 136 VAL HB H 1.799 0.04 1 1157 132 136 VAL HG1 H 1.095 0.04 2 1158 132 136 VAL HG2 H 1.095 0.04 2 1159 132 136 VAL C C 176.347 0.4 1 1160 132 136 VAL CA C 62.31 0.4 1 1161 132 136 VAL CB C 31.32 0.4 1 1162 132 136 VAL CG1 C 24.23 0.4 2 1163 132 136 VAL CG2 C 21.033 0.4 2 1164 132 136 VAL N N 123.046 0.4 1 1165 133 137 LYS H H 8.87 0.04 1 1166 133 137 LYS HA H 4.466 0.04 1 1167 133 137 LYS HB2 H 2.086 0.04 2 1168 133 137 LYS HB3 H 1.88 0.04 2 1169 133 137 LYS C C 176.82 0.4 1 1170 133 137 LYS CA C 55.66 0.4 1 1171 133 137 LYS CB C 31.8 0.4 1 1172 133 137 LYS N N 129.178 0.4 1 1173 134 138 PRO HA H 4.057 0.04 1 1174 134 138 PRO HB2 H 2.032 0.04 2 1175 134 138 PRO HB3 H 2.032 0.04 2 1176 134 138 PRO C C 177.461 0.4 1 1177 134 138 PRO CA C 66.79 0.4 1 1178 134 138 PRO CB C 32.23 0.4 1 1179 134 138 PRO CG C 27.625 0.4 1 1180 135 139 ALA H H 8.763 0.04 1 1181 135 139 ALA HA H 3.995 0.04 1 1182 135 139 ALA HB H 1.469 0.04 1 1183 135 139 ALA C C 180.339 0.4 1 1184 135 139 ALA CA C 55.77 0.4 1 1185 135 139 ALA CB C 18.69 0.4 1 1186 135 139 ALA N N 115.63 0.4 1 1187 136 140 VAL H H 7.253 0.04 1 1188 136 140 VAL HA H 3.958 0.04 1 1189 136 140 VAL HB H 2.369 0.04 1 1190 136 140 VAL HG1 H 1.155 0.04 2 1191 136 140 VAL HG2 H 1.155 0.04 2 1192 136 140 VAL C C 177.746 0.4 1 1193 136 140 VAL CA C 65.74 0.4 1 1194 136 140 VAL CB C 31.58 0.4 1 1195 136 140 VAL N N 118.165 0.4 1 1196 137 141 SER H H 7.505 0.04 1 1197 137 141 SER HA H 4.502 0.04 1 1198 137 141 SER HB2 H 4.113 0.04 2 1199 137 141 SER HB3 H 4.113 0.04 2 1200 137 141 SER C C 176.925 0.4 1 1201 137 141 SER CA C 61.81 0.4 1 1202 137 141 SER CB C 63.49 0.4 1 1203 137 141 SER N N 111.669 0.4 1 1204 138 142 PHE H H 8.988 0.04 1 1205 138 142 PHE HA H 4.093 0.04 1 1206 138 142 PHE HB2 H 3.176 0.04 2 1207 138 142 PHE HB3 H 3.1 0.04 2 1208 138 142 PHE C C 175.516 0.4 1 1209 138 142 PHE CA C 60.47 0.4 1 1210 138 142 PHE CB C 39.94 0.4 1 1211 138 142 PHE N N 117.041 0.4 1 1212 139 143 ASP H H 7.721 0.04 1 1213 139 143 ASP HA H 4.264 0.04 1 1214 139 143 ASP HB2 H 2.874 0.04 2 1215 139 143 ASP HB3 H 2.751 0.04 2 1216 139 143 ASP C C 178.653 0.4 1 1217 139 143 ASP CA C 58.02 0.4 1 1218 139 143 ASP CB C 41.73 0.4 1 1219 139 143 ASP N N 118.302 0.4 1 1220 140 144 TYR H H 7.699 0.04 1 1221 140 144 TYR HA H 3.936 0.04 1 1222 140 144 TYR HB2 H 3.33 0.04 2 1223 140 144 TYR HB3 H 2.916 0.04 2 1224 140 144 TYR C C 176.742 0.4 1 1225 140 144 TYR CA C 64 0.4 1 1226 140 144 TYR CB C 39.38 0.4 1 1227 140 144 TYR N N 115.408 0.4 1 1228 141 145 LEU H H 7.31 0.04 1 1229 141 145 LEU HA H 2.899 0.04 1 1230 141 145 LEU HB2 H 1.542 0.04 2 1231 141 145 LEU HB3 H 0.391 0.04 2 1232 141 145 LEU HG H 0.972 0.04 1 1233 141 145 LEU C C 178.135 0.4 1 1234 141 145 LEU CA C 59.37 0.4 1 1235 141 145 LEU CB C 39.58 0.4 1 1236 141 145 LEU N N 121.458 0.4 1 1237 142 146 ILE H H 8.176 0.04 1 1238 142 146 ILE HA H 3.403 0.04 1 1239 142 146 ILE HB H 1.625 0.04 1 1240 142 146 ILE HG12 H 1.826 0.04 2 1241 142 146 ILE HG13 H 1.583 0.04 2 1242 142 146 ILE HG2 H 0.613 0.04 1 1243 142 146 ILE C C 179.081 0.4 1 1244 142 146 ILE CA C 63.57 0.4 1 1245 142 146 ILE CB C 36.77 0.4 1 1246 142 146 ILE CG1 C 27.525 0.4 1 1247 142 146 ILE CG2 C 17.368 0.4 1 1248 142 146 ILE N N 116.9 0.4 1 1249 143 147 ARG H H 7.639 0.04 1 1250 143 147 ARG HA H 4.017 0.04 1 1251 143 147 ARG HB2 H 1.855 0.04 2 1252 143 147 ARG HB3 H 1.855 0.04 2 1253 143 147 ARG HG2 H 1.534 0.04 2 1254 143 147 ARG HG3 H 1.534 0.04 2 1255 143 147 ARG HD2 H 3.056 0.04 2 1256 143 147 ARG HD3 H 3.056 0.04 2 1257 143 147 ARG C C 178.393 0.4 1 1258 143 147 ARG CA C 59.36 0.4 1 1259 143 147 ARG CB C 30.89 0.4 1 1260 143 147 ARG CG C 28.006 0.4 1 1261 143 147 ARG CD C 43.404 0.4 1 1262 143 147 ARG N N 118.213 0.4 1 1263 144 148 GLU H H 7.553 0.04 1 1264 144 148 GLU HA H 4.274 0.04 1 1265 144 148 GLU HB2 H 1.757 0.04 2 1266 144 148 GLU HB3 H 1.757 0.04 2 1267 144 148 GLU C C 178.993 0.4 1 1268 144 148 GLU CA C 55.32 0.4 1 1269 144 148 GLU CB C 31.2 0.4 1 1270 144 148 GLU CG C 34.45 0.4 1 1271 144 148 GLU N N 113.99 0.4 1 1272 145 149 ALA H H 8.365 0.04 1 1273 145 149 ALA HA H 4.233 0.04 1 1274 145 149 ALA HB H 1.251 0.04 1 1275 145 149 ALA C C 178.549 0.4 1 1276 145 149 ALA CA C 55.25 0.4 1 1277 145 149 ALA CB C 18.25 0.4 1 1278 145 149 ALA N N 123.111 0.4 1 1279 146 150 LYS H H 9.205 0.04 1 1280 146 150 LYS HA H 4.682 0.04 1 1281 146 150 LYS HB2 H 2.077 0.04 2 1282 146 150 LYS HB3 H 2.077 0.04 2 1283 146 150 LYS HG2 H 1.383 0.04 2 1284 146 150 LYS HG3 H 1.383 0.04 2 1285 146 150 LYS HD2 H 1.326 0.04 2 1286 146 150 LYS HD3 H 1.326 0.04 2 1287 146 150 LYS C C 175.472 0.4 1 1288 146 150 LYS CA C 55.15 0.4 1 1289 146 150 LYS CB C 34.42 0.4 1 1290 146 150 LYS CG C 24.516 0.4 1 1291 146 150 LYS CD C 28.691 0.4 1 1292 146 150 LYS N N 122.866 0.4 1 1293 147 151 THR H H 7.184 0.04 1 1294 147 151 THR HA H 4.601 0.04 1 1295 147 151 THR HB H 3.993 0.04 1 1296 147 151 THR HG2 H 1.214 0.04 1 1297 147 151 THR C C 171.777 0.4 1 1298 147 151 THR CA C 57.81 0.4 1 1299 147 151 THR CB C 70.38 0.4 1 1300 147 151 THR CG2 C 18.149 0.4 1 1301 147 151 THR N N 116 0.4 1 1302 148 152 ARG H H 7.465 0.04 1 1303 148 152 ARG HA H 4.602 0.04 1 1304 148 152 ARG HB2 H 1.98 0.04 2 1305 148 152 ARG HB3 H 1.98 0.04 2 1306 148 152 ARG HG2 H 1.728 0.04 2 1307 148 152 ARG HG3 H 1.728 0.04 2 1308 148 152 ARG HD2 H 3.19 0.04 2 1309 148 152 ARG HD3 H 3.19 0.04 2 1310 148 152 ARG C C 174.17 0.4 1 1311 148 152 ARG CA C 56.97 0.4 1 1312 148 152 ARG CB C 29.64 0.4 1 1313 148 152 ARG CG C 27.117 0.4 1 1314 148 152 ARG CD C 43.98 0.4 1 1315 148 152 ARG N N 120.205 0.4 1 1316 149 153 VAL H H 8.786 0.04 1 1317 149 153 VAL HA H 4.495 0.04 1 1318 149 153 VAL HB H 1.88 0.04 1 1319 149 153 VAL HG1 H 0.825 0.04 2 1320 149 153 VAL HG2 H 0.825 0.04 2 1321 149 153 VAL C C 175.413 0.4 1 1322 149 153 VAL CA C 61.22 0.4 1 1323 149 153 VAL CB C 35.16 0.4 1 1324 149 153 VAL CG1 C 23.11 0.4 1 1325 149 153 VAL CG2 C 21.5 0.4 1 1326 149 153 VAL N N 126.256 0.4 1 1327 150 154 LEU H H 9.29 0.04 1 1328 150 154 LEU HA H 5.067 0.04 1 1329 150 154 LEU HB2 H 1.856 0.04 2 1330 150 154 LEU HB3 H 1.856 0.04 2 1331 150 154 LEU C C 174.735 0.4 1 1332 150 154 LEU CA C 52.79 0.4 1 1333 150 154 LEU CB C 41.69 0.4 1 1334 150 154 LEU N N 129.233 0.4 1 1335 151 155 VAL H H 9.067 0.04 1 1336 151 155 VAL HA H 5.262 0.04 1 1337 151 155 VAL HB H 1.843 0.04 1 1338 151 155 VAL HG1 H 0.95 0.04 2 1339 151 155 VAL HG2 H 0.905 0.04 2 1340 151 155 VAL C C 174.275 0.4 1 1341 151 155 VAL CA C 58.53 0.4 1 1342 151 155 VAL CB C 32.75 0.4 1 1343 151 155 VAL CG1 C 20.001 0.4 1 1344 151 155 VAL CG2 C 23.07 0.4 1 1345 151 155 VAL N N 124.71 0.4 1 1346 152 156 VAL H H 8.981 0.04 1 1347 152 156 VAL HA H 5.052 0.04 1 1348 152 156 VAL HB H 1.604 0.04 1 1349 152 156 VAL HG1 H 0.616 0.04 2 1350 152 156 VAL HG2 H 0.616 0.04 2 1351 152 156 VAL C C 176.489 0.4 1 1352 152 156 VAL CA C 60.77 0.4 1 1353 152 156 VAL CB C 32.87 0.4 1 1354 152 156 VAL CG1 C 21.99 0.4 1 1355 152 156 VAL CG2 C 18.5 0.4 1 1356 152 156 VAL N N 127.791 0.4 1 1357 153 157 VAL H H 9.197 0.04 1 1358 153 157 VAL HA H 4.705 0.04 1 1359 153 157 VAL HB H 2.388 0.04 1 1360 153 157 VAL HG1 H 0.992 0.04 2 1361 153 157 VAL HG2 H 0.992 0.04 2 1362 153 157 VAL C C 174.035 0.4 1 1363 153 157 VAL CA C 59.4 0.4 1 1364 153 157 VAL CB C 34.24 0.4 1 1365 153 157 VAL CG1 C 21.93 0.4 1 1366 153 157 VAL CG2 C 20.08 0.4 2 1367 153 157 VAL N N 122.961 0.4 1 1368 154 158 ASN H H 8.7 0.04 1 1369 154 158 ASN HA H 5.072 0.04 1 1370 154 158 ASN HB2 H 2.931 0.04 2 1371 154 158 ASN HB3 H 2.931 0.04 2 1372 154 158 ASN C C 175.454 0.4 1 1373 154 158 ASN CA C 53.47 0.4 1 1374 154 158 ASN CB C 39.65 0.4 1 1375 154 158 ASN N N 119.39 0.4 1 1376 155 159 SER H H 7.24 0.04 1 1377 155 159 SER HA H 4.861 0.04 1 1378 155 159 SER HB2 H 4.145 0.04 2 1379 155 159 SER HB3 H 3.834 0.04 2 1380 155 159 SER C C 175.198 0.4 1 1381 155 159 SER CA C 56.05 0.4 1 1382 155 159 SER CB C 64.54 0.4 1 1383 155 159 SER N N 112.5 0.4 1 1384 156 160 GLN H H 9.409 0.04 1 1385 156 160 GLN HA H 3.984 0.04 1 1386 156 160 GLN HB2 H 2.17 0.04 2 1387 156 160 GLN HB3 H 2.17 0.04 2 1388 156 160 GLN HG2 H 2.478 0.04 2 1389 156 160 GLN HG3 H 2.395 0.04 2 1390 156 160 GLN C C 177.259 0.4 1 1391 156 160 GLN CA C 59.61 0.4 1 1392 156 160 GLN CB C 28.57 0.4 1 1393 156 160 GLN CG C 34.21 0.4 1 1394 156 160 GLN N N 129.706 0.4 1 1395 157 161 ASP H H 8.418 0.04 1 1396 157 161 ASP HA H 4.401 0.04 1 1397 157 161 ASP HB2 H 2.721 0.04 2 1398 157 161 ASP HB3 H 2.579 0.04 2 1399 157 161 ASP C C 179.226 0.4 1 1400 157 161 ASP CA C 57.75 0.4 1 1401 157 161 ASP CB C 40.34 0.4 1 1402 157 161 ASP N N 118.847 0.4 1 1403 158 162 VAL H H 7.588 0.04 1 1404 158 162 VAL HA H 3.661 0.04 1 1405 158 162 VAL HB H 2.064 0.04 1 1406 158 162 VAL HG1 H 0.915 0.04 2 1407 158 162 VAL HG2 H 0.915 0.04 2 1408 158 162 VAL C C 178.299 0.4 1 1409 158 162 VAL CA C 66.1 0.4 1 1410 158 162 VAL CB C 32.18 0.4 1 1411 158 162 VAL CG1 C 22.08 0.4 1 1412 158 162 VAL N N 121.734 0.4 1 1413 159 163 TYR H H 8.366 0.04 1 1414 159 163 TYR HA H 3.64 0.04 1 1415 159 163 TYR HB2 H 3.012 0.04 2 1416 159 163 TYR HB3 H 2.94 0.04 2 1417 159 163 TYR C C 178.502 0.4 1 1418 159 163 TYR CA C 63.45 0.4 1 1419 159 163 TYR CB C 39.88 0.4 1 1420 159 163 TYR N N 120.502 0.4 1 1421 160 164 LYS H H 8.787 0.04 1 1422 160 164 LYS HA H 3.771 0.04 1 1423 160 164 LYS HB2 H 1.898 0.04 2 1424 160 164 LYS HB3 H 1.898 0.04 2 1425 160 164 LYS HG2 H 1.53 0.04 2 1426 160 164 LYS HG3 H 1.53 0.04 2 1427 160 164 LYS HD2 H 1.766 0.04 2 1428 160 164 LYS HD3 H 1.766 0.04 2 1429 160 164 LYS C C 178.209 0.4 1 1430 160 164 LYS CA C 59.81 0.4 1 1431 160 164 LYS CB C 32.22 0.4 1 1432 160 164 LYS CG C 25.9 0.4 1 1433 160 164 LYS CD C 29.49 0.4 1 1434 160 164 LYS N N 118.758 0.4 1 1435 161 165 SER H H 7.635 0.04 1 1436 161 165 SER HA H 4.265 0.04 1 1437 161 165 SER HB2 H 4.028 0.04 2 1438 161 165 SER HB3 H 4.028 0.04 2 1439 161 165 SER C C 175.447 0.4 1 1440 161 165 SER CA C 61.31 0.4 1 1441 161 165 SER CB C 63.5 0.4 1 1442 161 165 SER N N 113.439 0.4 1 1443 162 166 LEU H H 7.27 0.04 1 1444 162 166 LEU HA H 4.237 0.04 1 1445 162 166 LEU HB2 H 1.258 0.04 2 1446 162 166 LEU HB3 H 1.258 0.04 2 1447 162 166 LEU C C 176.858 0.4 1 1448 162 166 LEU CA C 55.2 0.4 1 1449 162 166 LEU CB C 42.16 0.4 1 1450 162 166 LEU CG C 26.11 0.4 1 1451 162 166 LEU N N 119.2 0.4 1 1452 163 167 THR H H 7.213 0.04 1 1453 163 167 THR HA H 4.261 0.04 1 1454 163 167 THR HB H 4.1 0.04 1 1455 163 167 THR HG2 H 0.606 0.04 1 1456 163 167 THR C C 173.695 0.4 1 1457 163 167 THR CA C 61.17 0.4 1 1458 163 167 THR CB C 69.98 0.4 1 1459 163 167 THR CG2 C 21.529 0.4 1 1460 163 167 THR N N 106.692 0.4 1 1461 164 168 ILE H H 7.135 0.04 1 1462 164 168 ILE HA H 4.015 0.04 1 1463 164 168 ILE HB H 1.848 0.04 1 1464 164 168 ILE HG12 H 1.21 0.04 2 1465 164 168 ILE HG13 H 1.21 0.04 2 1466 164 168 ILE HG2 H 0.949 0.04 1 1467 164 168 ILE C C 181.25 0.4 1 1468 164 168 ILE CA C 63.97 0.4 1 1469 164 168 ILE CB C 38.97 0.4 1 1470 164 168 ILE N N 125.73 0.4 1 stop_ save_