data_25832 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignment of CPR3 from Saccharomyces cerevisiae ; _BMRB_accession_number 25832 _BMRB_flat_file_name bmr25832.str _Entry_type original _Submission_date 2015-10-02 _Accession_date 2015-10-05 _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 Shukla Vaibhav Kumar . 2 Singh Jai Shankar . 3 Trivedi Dipesh Kumar . 4 Kumar Ashutosh . . 5 Hosur 'Ramakrishna V.' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 818 "13C chemical shifts" 673 "15N chemical shifts" 164 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-09-02 original BMRB . stop_ _Original_release_date 2016-09-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR assignments of mitochondrial cyclophilin Cpr3 from Saccharomyces cerevisiae ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26897529 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shukla Vaibhav Kumar . 2 Singh Jai Shankar . 3 Trivedi Dipesh Kumar . 4 Hosur 'Ramakrishna V.' . . 5 Kumar Ashutosh . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 10 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 203 _Page_last 206 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CPR3 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CPR3 $CPR3 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_CPR3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CPR3 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 182 _Mol_residue_sequence ; MFKRSIIQQSRLFSNSASRL GKKVFFDPAVNGTKIGRIEF ELYDNVVPKTAENFRALCTG EKGWGYKGVPFHRIIPDFMI QGGDTDLTNGFGGKSIYGSK FADENFVKKHDKAGLLSMAN AGPNTNGSQFFITTVPCPWL DGKHVVFGEVTKGMDIVKAI ESYGTASGKPRAEIVIEEAG EL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 PHE 3 3 LYS 4 4 ARG 5 5 SER 6 6 ILE 7 7 ILE 8 8 GLN 9 9 GLN 10 10 SER 11 11 ARG 12 12 LEU 13 13 PHE 14 14 SER 15 15 ASN 16 16 SER 17 17 ALA 18 18 SER 19 19 ARG 20 20 LEU 21 21 GLY 22 22 LYS 23 23 LYS 24 24 VAL 25 25 PHE 26 26 PHE 27 27 ASP 28 28 PRO 29 29 ALA 30 30 VAL 31 31 ASN 32 32 GLY 33 33 THR 34 34 LYS 35 35 ILE 36 36 GLY 37 37 ARG 38 38 ILE 39 39 GLU 40 40 PHE 41 41 GLU 42 42 LEU 43 43 TYR 44 44 ASP 45 45 ASN 46 46 VAL 47 47 VAL 48 48 PRO 49 49 LYS 50 50 THR 51 51 ALA 52 52 GLU 53 53 ASN 54 54 PHE 55 55 ARG 56 56 ALA 57 57 LEU 58 58 CYS 59 59 THR 60 60 GLY 61 61 GLU 62 62 LYS 63 63 GLY 64 64 TRP 65 65 GLY 66 66 TYR 67 67 LYS 68 68 GLY 69 69 VAL 70 70 PRO 71 71 PHE 72 72 HIS 73 73 ARG 74 74 ILE 75 75 ILE 76 76 PRO 77 77 ASP 78 78 PHE 79 79 MET 80 80 ILE 81 81 GLN 82 82 GLY 83 83 GLY 84 84 ASP 85 85 THR 86 86 ASP 87 87 LEU 88 88 THR 89 89 ASN 90 90 GLY 91 91 PHE 92 92 GLY 93 93 GLY 94 94 LYS 95 95 SER 96 96 ILE 97 97 TYR 98 98 GLY 99 99 SER 100 100 LYS 101 101 PHE 102 102 ALA 103 103 ASP 104 104 GLU 105 105 ASN 106 106 PHE 107 107 VAL 108 108 LYS 109 109 LYS 110 110 HIS 111 111 ASP 112 112 LYS 113 113 ALA 114 114 GLY 115 115 LEU 116 116 LEU 117 117 SER 118 118 MET 119 119 ALA 120 120 ASN 121 121 ALA 122 122 GLY 123 123 PRO 124 124 ASN 125 125 THR 126 126 ASN 127 127 GLY 128 128 SER 129 129 GLN 130 130 PHE 131 131 PHE 132 132 ILE 133 133 THR 134 134 THR 135 135 VAL 136 136 PRO 137 137 CYS 138 138 PRO 139 139 TRP 140 140 LEU 141 141 ASP 142 142 GLY 143 143 LYS 144 144 HIS 145 145 VAL 146 146 VAL 147 147 PHE 148 148 GLY 149 149 GLU 150 150 VAL 151 151 THR 152 152 LYS 153 153 GLY 154 154 MET 155 155 ASP 156 156 ILE 157 157 VAL 158 158 LYS 159 159 ALA 160 160 ILE 161 161 GLU 162 162 SER 163 163 TYR 164 164 GLY 165 165 THR 166 166 ALA 167 167 SER 168 168 GLY 169 169 LYS 170 170 PRO 171 171 ARG 172 172 ALA 173 173 GLU 174 174 ILE 175 175 VAL 176 176 ILE 177 177 GLU 178 178 GLU 179 179 ALA 180 180 GLY 181 181 GLU 182 182 LEU 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 $CPR3 "baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $CPR3 '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 _Isotopic_labeling $CPR3 0.8 mM '[U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 1.0 mM 'natural abundance' D2O 10 % [U-2H] H2O 90 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CPR3 0.8 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 1.0 mM 'natural abundance' D2O 10 % [U-2H] H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Ascend _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCOCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCOCACB' _Sample_label $sample_2 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D-HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HN(CA)CO _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_2 save_ save_3D-HCCcoHN_9 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HCCcoHN _Sample_label $sample_2 save_ save_3D-CCcoNH_10 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-CCcoNH _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _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' 150 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . 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' '2D 1H-13C HSQC' '3D HNCACB' '3D HNCOCACB' '3D HNCO' '3D HNCA' 3D-HN(CA)CO '3D 1H-15N TOCSY' 3D-HCCcoHN 3D-CCcoNH '3D HCCH-TOCSY' 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 CPR3 _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 1 MET H H 8.226 0.020 1 2 1 1 MET HA H 4.420 0.020 1 3 1 1 MET HB2 H 2.691 0.020 1 4 1 1 MET HB3 H 2.691 0.020 1 5 1 1 MET C C 175.811 0.3 1 6 1 1 MET CA C 55.901 0.3 1 7 1 1 MET CB C 32.253 0.3 1 8 1 1 MET CG C 31.418 0.3 1 9 1 1 MET N N 121.704 0.3 1 10 2 2 PHE H H 8.146 0.020 1 11 2 2 PHE HA H 4.583 0.020 1 12 2 2 PHE HB2 H 3.077 0.020 1 13 2 2 PHE HB3 H 3.077 0.020 1 14 2 2 PHE C C 175.504 0.3 1 15 2 2 PHE CA C 56.351 0.3 1 16 2 2 PHE CB C 30.902 0.3 1 17 2 2 PHE N N 121.306 0.3 1 18 3 3 LYS H H 8.042 0.020 1 19 3 3 LYS C C 176.099 0.3 1 20 3 3 LYS CA C 56.000 0.3 1 21 3 3 LYS CB C 33.243 0.3 1 22 3 3 LYS N N 122.939 0.3 1 23 4 4 ARG HA H 4.318 0.020 1 24 4 4 ARG HB2 H 1.776 0.020 2 25 4 4 ARG HB3 H 1.563 0.020 2 26 4 4 ARG HD2 H 3.199 0.020 1 27 4 4 ARG HD3 H 3.199 0.020 1 28 4 4 ARG HG2 H 1.083 0.020 1 29 4 4 ARG HG3 H 1.083 0.020 1 30 4 4 ARG C C 177.947 0.3 1 31 4 4 ARG CA C 58.557 0.3 1 32 4 4 ARG CB C 33.019 0.3 1 33 4 4 ARG CD C 43.874 0.3 1 34 4 4 ARG CG C 26.339 0.3 1 35 5 5 SER H H 8.189 0.020 1 36 5 5 SER HA H 4.257 0.020 1 37 5 5 SER HB2 H 3.789 0.020 1 38 5 5 SER HB3 H 3.789 0.020 1 39 5 5 SER C C 174.316 0.3 1 40 5 5 SER CA C 58.835 0.3 1 41 5 5 SER CB C 64.332 0.3 1 42 5 5 SER N N 116.998 0.3 1 43 6 6 ILE H H 8.263 0.020 1 44 6 6 ILE HA H 4.155 0.020 1 45 6 6 ILE HB H 1.776 0.020 1 46 6 6 ILE HD1 H 0.799 0.020 1 47 6 6 ILE HG12 H 1.389 0.020 2 48 6 6 ILE HG13 H 1.084 0.020 2 49 6 6 ILE HG2 H 0.799 0.020 1 50 6 6 ILE C C 176.403 0.3 1 51 6 6 ILE CA C 61.758 0.3 1 52 6 6 ILE CB C 39.420 0.3 1 53 6 6 ILE CD1 C 17.988 0.3 1 54 6 6 ILE CG1 C 27.730 0.3 1 55 6 6 ILE CG2 C 17.988 0.3 1 56 6 6 ILE N N 122.923 0.3 1 57 7 7 ILE H H 8.185 0.020 1 58 7 7 ILE HA H 4.000 0.020 1 59 7 7 ILE HB H 1.665 0.020 1 60 7 7 ILE HD1 H 0.752 0.020 1 61 7 7 ILE HG12 H 1.199 0.020 1 62 7 7 ILE HG13 H 1.199 0.020 1 63 7 7 ILE HG2 H 0.752 0.020 1 64 7 7 ILE C C 176.339 0.3 1 65 7 7 ILE CA C 61.758 0.3 1 66 7 7 ILE CB C 39.420 0.3 1 67 7 7 ILE CD1 C 17.988 0.3 1 68 7 7 ILE CG1 C 27.869 0.3 1 69 7 7 ILE CG2 C 17.988 0.3 1 70 7 7 ILE N N 125.378 0.3 1 71 8 8 GLN H H 8.365 0.020 1 72 8 8 GLN HA H 4.298 0.020 1 73 8 8 GLN HB2 H 1.857 0.020 1 74 8 8 GLN HB3 H 1.857 0.020 1 75 8 8 GLN HG2 H 2.203 0.020 1 76 8 8 GLN HG3 H 2.203 0.020 1 77 8 8 GLN C C 175.989 0.3 1 78 8 8 GLN CA C 56.330 0.3 1 79 8 8 GLN CB C 29.818 0.3 1 80 8 8 GLN CG C 34.132 0.3 1 81 8 8 GLN N N 125.039 0.3 1 82 9 9 GLN H H 8.402 0.020 1 83 9 9 GLN HA H 4.298 0.020 1 84 9 9 GLN HB2 H 1.343 0.020 1 85 9 9 GLN HB3 H 1.343 0.020 1 86 9 9 GLN HG2 H 1.664 0.020 1 87 9 9 GLN HG3 H 1.664 0.020 1 88 9 9 GLN C C 176.371 0.3 1 89 9 9 GLN CA C 56.678 0.3 1 90 9 9 GLN CB C 30.166 0.3 1 91 9 9 GLN CG C 31.001 0.3 1 92 9 9 GLN N N 122.149 0.3 1 93 10 10 SER H H 8.290 0.020 1 94 10 10 SER C C 174.467 0.3 1 95 10 10 SER CA C 58.671 0.3 1 96 10 10 SER CB C 63.837 0.3 1 97 10 10 SER N N 117.550 0.3 1 98 11 11 ARG HA H 4.009 0.020 1 99 11 11 ARG HB2 H 1.622 0.020 1 100 11 11 ARG HB3 H 1.622 0.020 1 101 11 11 ARG HD2 H 3.079 0.020 2 102 11 11 ARG HD3 H 3.074 0.020 2 103 11 11 ARG HG2 H 0.911 0.020 2 104 11 11 ARG HG3 H 0.617 0.020 2 105 11 11 ARG C C 176.253 0.3 1 106 11 11 ARG CA C 57.026 0.3 1 107 11 11 ARG CB C 31.070 0.3 1 108 11 11 ARG CD C 43.039 0.3 1 109 11 11 ARG CG C 27.173 0.3 1 110 12 12 LEU H H 7.991 0.020 1 111 12 12 LEU HA H 4.237 0.020 1 112 12 12 LEU HB2 H 1.918 0.020 1 113 12 12 LEU HB3 H 1.918 0.020 1 114 12 12 LEU HD1 H 0.759 0.020 1 115 12 12 LEU HD2 H 0.759 0.020 1 116 12 12 LEU HG H 1.918 0.020 1 117 12 12 LEU C C 177.266 0.3 1 118 12 12 LEU CA C 56.121 0.3 1 119 12 12 LEU CB C 43.039 0.3 1 120 12 12 LEU CD1 C 27.243 0.3 1 121 12 12 LEU CD2 C 24.738 0.3 1 122 12 12 LEU CG C 24.738 0.3 1 123 12 12 LEU N N 122.169 0.3 1 124 13 13 PHE H H 8.065 0.020 1 125 13 13 PHE HA H 4.264 0.020 1 126 13 13 PHE HB2 H 3.066 0.020 2 127 13 13 PHE HB3 H 2.863 0.020 2 128 13 13 PHE C C 175.909 0.3 1 129 13 13 PHE CA C 57.605 0.3 1 130 13 13 PHE CB C 39.908 0.3 1 131 13 13 PHE N N 120.122 0.3 1 132 14 14 SER H H 8.093 0.020 1 133 14 14 SER HA H 4.338 0.020 1 134 14 14 SER HB2 H 3.869 0.020 2 135 14 14 SER HB3 H 3.869 0.020 2 136 14 14 SER C C 174.332 0.3 1 137 14 14 SER CA C 58.417 0.3 1 138 14 14 SER CB C 64.471 0.3 1 139 14 14 SER N N 116.610 0.3 1 140 15 15 ASN H H 8.362 0.020 1 141 15 15 ASN HA H 3.891 0.020 1 142 15 15 ASN HB2 H 1.694 0.020 2 143 15 15 ASN HB3 H 1.389 0.020 2 144 15 15 ASN C C 175.622 0.3 1 145 15 15 ASN CA C 53.351 0.3 1 146 15 15 ASN CB C 39.281 0.3 1 147 15 15 ASN N N 121.014 0.3 1 148 16 16 SER H H 8.130 0.020 1 149 16 16 SER HA H 4.196 0.020 1 150 16 16 SER HB2 H 3.789 0.020 1 151 16 16 SER HB3 H 3.789 0.020 1 152 16 16 SER C C 174.587 0.3 1 153 16 16 SER CA C 59.044 0.3 1 154 16 16 SER CB C 64.332 0.3 1 155 16 16 SER N N 115.871 0.3 1 156 17 17 ALA H H 8.265 0.020 1 157 17 17 ALA HA H 4.298 0.020 1 158 17 17 ALA HB H 1.308 0.020 1 159 17 17 ALA C C 177.964 0.3 1 160 17 17 ALA CA C 53.198 0.3 1 161 17 17 ALA CB C 19.658 0.3 1 162 17 17 ALA N N 125.633 0.3 1 163 18 18 SER H H 8.141 0.020 1 164 18 18 SER HA H 4.501 0.020 1 165 18 18 SER HB2 H 2.610 0.020 1 166 18 18 SER HB3 H 2.610 0.020 1 167 18 18 SER C C 174.460 0.3 1 168 18 18 SER CA C 58.587 0.3 1 169 18 18 SER CB C 64.041 0.3 1 170 18 18 SER N N 114.872 0.3 1 171 19 19 ARG H H 8.220 0.020 1 172 19 19 ARG HA H 4.298 0.020 1 173 19 19 ARG HB2 H 1.715 0.020 1 174 19 19 ARG HB3 H 1.715 0.020 1 175 19 19 ARG HD2 H 3.098 0.020 1 176 19 19 ARG HD3 H 3.098 0.020 1 177 19 19 ARG HG2 H 1.532 0.020 1 178 19 19 ARG HG3 H 1.532 0.020 1 179 19 19 ARG C C 175.989 0.3 1 180 19 19 ARG CA C 56.539 0.3 1 181 19 19 ARG CB C 31.209 0.3 1 182 19 19 ARG CD C 43.944 0.3 1 183 19 19 ARG CG C 27.521 0.3 1 184 19 19 ARG N N 122.853 0.3 1 185 20 20 LEU H H 8.282 0.020 1 186 20 20 LEU HA H 4.318 0.020 1 187 20 20 LEU HB2 H 2.732 0.020 1 188 20 20 LEU HB3 H 2.732 0.020 1 189 20 20 LEU HD1 H 0.799 0.020 1 190 20 20 LEU HD2 H 0.799 0.020 1 191 20 20 LEU HG H 1.572 0.020 1 192 20 20 LEU C C 177.868 0.3 1 193 20 20 LEU CA C 55.564 0.3 1 194 20 20 LEU CB C 43.109 0.3 1 195 20 20 LEU CD1 C 27.452 0.3 1 196 20 20 LEU CD2 C 25.364 0.3 1 197 20 20 LEU CG C 24.112 0.3 1 198 20 20 LEU N N 123.925 0.3 1 199 21 21 GLY H H 8.666 0.020 1 200 21 21 GLY HA2 H 4.237 0.020 2 201 21 21 GLY HA3 H 4.074 0.020 2 202 21 21 GLY C C 174.157 0.3 1 203 21 21 GLY CA C 45.683 0.3 1 204 21 21 GLY N N 110.923 0.3 1 205 22 22 LYS H H 8.098 0.020 1 206 22 22 LYS HA H 4.257 0.020 1 207 22 22 LYS HB2 H 1.715 0.020 1 208 22 22 LYS HB3 H 1.715 0.020 1 209 22 22 LYS HD2 H 1.471 0.020 1 210 22 22 LYS HD3 H 1.471 0.020 1 211 22 22 LYS HE2 H 2.589 0.020 1 212 22 22 LYS HE3 H 2.589 0.020 1 213 22 22 LYS C C 176.291 0.3 1 214 22 22 LYS CA C 56.678 0.3 1 215 22 22 LYS CB C 33.575 0.3 1 216 22 22 LYS CD C 28.843 0.3 1 217 22 22 LYS CE C 42.482 0.3 1 218 22 22 LYS CG C 25.225 0.3 1 219 22 22 LYS N N 120.768 0.3 1 220 23 23 LYS H H 8.533 0.020 1 221 23 23 LYS HA H 5.396 0.020 1 222 23 23 LYS HB2 H 1.755 0.020 1 223 23 23 LYS HB3 H 1.755 0.020 1 224 23 23 LYS HD2 H 1.511 0.020 1 225 23 23 LYS HD3 H 1.511 0.020 1 226 23 23 LYS HE2 H 3.118 0.020 1 227 23 23 LYS HE3 H 3.118 0.020 1 228 23 23 LYS C C 176.849 0.3 1 229 23 23 LYS CA C 55.704 0.3 1 230 23 23 LYS CB C 35.593 0.3 1 231 23 23 LYS CD C 29.331 0.3 1 232 23 23 LYS CG C 25.295 0.3 1 233 23 23 LYS N N 122.578 0.3 1 234 24 24 VAL H H 8.342 0.020 1 235 24 24 VAL HA H 5.355 0.020 1 236 24 24 VAL HB H 2.528 0.020 1 237 24 24 VAL HG1 H 0.860 0.020 1 238 24 24 VAL HG2 H 0.860 0.020 1 239 24 24 VAL C C 173.918 0.3 1 240 24 24 VAL CA C 59.183 0.3 1 241 24 24 VAL CB C 37.194 0.3 1 242 24 24 VAL CG1 C 23.416 0.3 1 243 24 24 VAL CG2 C 20.076 0.3 1 244 24 24 VAL N N 113.272 0.3 1 245 25 25 PHE H H 8.644 0.020 1 246 25 25 PHE HA H 6.027 0.020 1 247 25 25 PHE HB2 H 3.016 0.020 2 248 25 25 PHE HB3 H 2.610 0.020 2 249 25 25 PHE C C 173.313 0.3 1 250 25 25 PHE CA C 56.817 0.3 1 251 25 25 PHE CB C 44.013 0.3 1 252 25 25 PHE N N 115.697 0.3 1 253 26 26 PHE H H 8.966 0.020 1 254 26 26 PHE HA H 5.498 0.020 1 255 26 26 PHE HB2 H 3.606 0.020 2 256 26 26 PHE HB3 H 3.240 0.020 2 257 26 26 PHE C C 175.415 0.3 1 258 26 26 PHE CA C 53.825 0.3 1 259 26 26 PHE CB C 45.753 0.3 1 260 26 26 PHE N N 112.942 0.3 1 261 27 27 ASP H H 9.174 0.020 1 262 27 27 ASP C C 172.321 0.3 1 263 27 27 ASP CA C 51.606 0.3 1 264 27 27 ASP CB C 41.898 0.3 1 265 27 27 ASP N N 121.781 0.3 1 266 28 28 PRO HA H 5.391 0.020 1 267 28 28 PRO HB2 H 1.999 0.020 1 268 28 28 PRO HB3 H 1.999 0.020 1 269 28 28 PRO HD2 H 2.906 0.020 1 270 28 28 PRO HD3 H 2.906 0.020 1 271 28 28 PRO HG2 H 1.678 0.020 1 272 28 28 PRO HG3 H 1.678 0.020 1 273 28 28 PRO C C 175.150 0.3 1 274 28 28 PRO CA C 61.688 0.3 1 275 28 28 PRO CB C 33.993 0.3 1 276 28 28 PRO CG C 28.774 0.3 1 277 29 29 ALA H H 9.338 0.020 1 278 29 29 ALA HA H 5.112 0.020 1 279 29 29 ALA HB H 1.022 0.020 1 280 29 29 ALA C C 175.678 0.3 1 281 29 29 ALA CA C 51.459 0.3 1 282 29 29 ALA CB C 23.485 0.3 1 283 29 29 ALA N N 123.270 0.3 1 284 30 30 VAL H H 8.403 0.020 1 285 30 30 VAL HA H 4.330 0.020 1 286 30 30 VAL HB H 1.747 0.020 1 287 30 30 VAL HG1 H 0.603 0.020 2 288 30 30 VAL HG2 H 0.407 0.020 2 289 30 30 VAL C C 176.009 0.3 1 290 30 30 VAL CA C 61.131 0.3 1 291 30 30 VAL CB C 33.784 0.3 1 292 30 30 VAL CG1 C 21.398 0.3 1 293 30 30 VAL CG2 C 19.936 0.3 1 294 30 30 VAL N N 120.382 0.3 1 295 31 31 ASN H H 9.712 0.020 1 296 31 31 ASN HA H 4.414 0.020 1 297 31 31 ASN HB2 H 3.046 0.020 2 298 31 31 ASN HB3 H 2.752 0.020 2 299 31 31 ASN C C 176.009 0.3 1 300 31 31 ASN CA C 54.451 0.3 1 301 31 31 ASN CB C 37.820 0.3 1 302 31 31 ASN N N 128.272 0.3 1 303 32 32 GLY H H 9.045 0.020 1 304 32 32 GLY HA2 H 4.196 0.020 2 305 32 32 GLY HA3 H 3.548 0.020 2 306 32 32 GLY C C 174.753 0.3 1 307 32 32 GLY CA C 45.753 0.3 1 308 32 32 GLY N N 103.613 0.3 1 309 33 33 THR H H 7.787 0.020 1 310 33 33 THR HA H 4.442 0.020 1 311 33 33 THR HB H 3.967 0.020 1 312 33 33 THR HG2 H 1.133 0.020 1 313 33 33 THR C C 173.916 0.3 1 314 33 33 THR CA C 62.245 0.3 1 315 33 33 THR CB C 71.012 0.3 1 316 33 33 THR CG2 C 21.954 0.3 1 317 33 33 THR N N 118.098 0.3 1 318 34 34 LYS H H 8.925 0.020 1 319 34 34 LYS C C 177.969 0.3 1 320 34 34 LYS CA C 58.260 0.3 1 321 34 34 LYS CB C 32.509 0.3 1 322 34 34 LYS N N 129.353 0.3 1 323 35 35 ILE HA H 4.428 0.020 1 324 35 35 ILE HB H 1.943 0.020 1 325 35 35 ILE HD1 H 0.701 0.020 1 326 35 35 ILE HG12 H 1.273 0.020 1 327 35 35 ILE HG13 H 1.273 0.020 1 328 35 35 ILE HG2 H 0.910 0.020 1 329 35 35 ILE C C 175.190 0.3 1 330 35 35 ILE CA C 62.384 0.3 1 331 35 35 ILE CB C 39.003 0.3 1 332 35 35 ILE CG1 C 27.034 0.3 1 333 35 35 ILE CG2 C 18.406 0.3 1 334 36 36 GLY H H 7.389 0.020 1 335 36 36 GLY HA2 H 4.288 0.020 2 336 36 36 GLY HA3 H 3.660 0.020 2 337 36 36 GLY C C 170.370 0.3 1 338 36 36 GLY CA C 45.335 0.3 1 339 36 36 GLY N N 107.959 0.3 1 340 37 37 ARG H H 7.981 0.020 1 341 37 37 ARG HA H 5.405 0.020 1 342 37 37 ARG HB2 H 1.775 0.020 2 343 37 37 ARG HB3 H 1.594 0.020 2 344 37 37 ARG HD2 H 3.730 0.020 1 345 37 37 ARG HD3 H 3.730 0.020 1 346 37 37 ARG HG2 H 1.273 0.020 1 347 37 37 ARG HG3 H 1.273 0.020 1 348 37 37 ARG C C 175.282 0.3 1 349 37 37 ARG CA C 56.052 0.3 1 350 37 37 ARG CB C 34.132 0.3 1 351 37 37 ARG CD C 43.526 0.3 1 352 37 37 ARG CG C 27.382 0.3 1 353 37 37 ARG N N 120.835 0.3 1 354 38 38 ILE H H 9.298 0.020 1 355 38 38 ILE HA H 4.358 0.020 1 356 38 38 ILE HB H 1.371 0.020 1 357 38 38 ILE HD1 H 0.072 0.020 1 358 38 38 ILE HG12 H 1.371 0.020 1 359 38 38 ILE HG13 H 1.371 0.020 1 360 38 38 ILE HG2 H 0.072 0.020 1 361 38 38 ILE C C 174.930 0.3 1 362 38 38 ILE CA C 60.575 0.3 1 363 38 38 ILE CB C 41.160 0.3 1 364 38 38 ILE CD1 C 20.354 0.3 1 365 38 38 ILE CG1 C 27.173 0.3 1 366 38 38 ILE CG2 C 20.354 0.3 1 367 38 38 ILE N N 125.406 0.3 1 368 39 39 GLU H H 8.400 0.020 1 369 39 39 GLU HA H 4.902 0.020 1 370 39 39 GLU HB2 H 1.706 0.020 1 371 39 39 GLU HB3 H 1.706 0.020 1 372 39 39 GLU HG2 H 1.985 0.020 1 373 39 39 GLU HG3 H 1.985 0.020 1 374 39 39 GLU C C 175.128 0.3 1 375 39 39 GLU CA C 54.869 0.3 1 376 39 39 GLU CB C 32.323 0.3 1 377 39 39 GLU CG C 37.472 0.3 1 378 39 39 GLU N N 123.635 0.3 1 379 40 40 PHE H H 9.194 0.020 1 380 40 40 PHE HA H 5.474 0.020 1 381 40 40 PHE HB2 H 2.348 0.020 1 382 40 40 PHE HB3 H 2.348 0.020 1 383 40 40 PHE C C 175.546 0.3 1 384 40 40 PHE CA C 55.912 0.3 1 385 40 40 PHE CB C 42.830 0.3 1 386 40 40 PHE N N 118.455 0.3 1 387 41 41 GLU H H 8.829 0.020 1 388 41 41 GLU HA H 4.874 0.020 1 389 41 41 GLU HB2 H 1.775 0.020 1 390 41 41 GLU HB3 H 1.775 0.020 1 391 41 41 GLU HG2 H 2.082 0.020 1 392 41 41 GLU HG3 H 2.082 0.020 1 393 41 41 GLU C C 174.930 0.3 1 394 41 41 GLU CA C 55.286 0.3 1 395 41 41 GLU CB C 33.645 0.3 1 396 41 41 GLU CG C 37.263 0.3 1 397 41 41 GLU N N 121.350 0.3 1 398 42 42 LEU H H 8.876 0.020 1 399 42 42 LEU HA H 4.581 0.020 1 400 42 42 LEU HB2 H 1.957 0.020 1 401 42 42 LEU HB3 H 1.957 0.020 1 402 42 42 LEU HD1 H 1.287 0.020 1 403 42 42 LEU HD2 H 1.287 0.020 1 404 42 42 LEU HG H 1.636 0.020 1 405 42 42 LEU C C 178.145 0.3 1 406 42 42 LEU CA C 53.129 0.3 1 407 42 42 LEU CB C 43.456 0.3 1 408 42 42 LEU CD1 C 26.965 0.3 1 409 42 42 LEU CD2 C 23.137 0.3 1 410 42 42 LEU CG C 23.137 0.3 1 411 42 42 LEU N N 122.444 0.3 1 412 43 43 TYR H H 8.681 0.020 1 413 43 43 TYR HA H 5.321 0.020 1 414 43 43 TYR HB2 H 3.074 0.020 2 415 43 43 TYR HB3 H 2.725 0.020 2 416 43 43 TYR C C 177.903 0.3 1 417 43 43 TYR CA C 52.572 0.3 1 418 43 43 TYR CB C 35.315 0.3 1 419 43 43 TYR N N 123.146 0.3 1 420 44 44 ASP H H 8.874 0.020 1 421 44 44 ASP HA H 3.813 0.020 1 422 44 44 ASP HB2 H 2.766 0.020 2 423 44 44 ASP HB3 H 2.320 0.020 2 424 44 44 ASP C C 175.150 0.3 1 425 44 44 ASP CA C 57.582 0.3 1 426 44 44 ASP CB C 41.091 0.3 1 427 44 44 ASP N N 121.234 0.3 1 428 45 45 ASN H H 8.533 0.020 1 429 45 45 ASN HA H 4.483 0.020 1 430 45 45 ASN HB2 H 3.423 0.020 2 431 45 45 ASN HB3 H 2.780 0.020 2 432 45 45 ASN C C 175.502 0.3 1 433 45 45 ASN CA C 55.008 0.3 1 434 45 45 ASN CB C 37.681 0.3 1 435 45 45 ASN N N 112.643 0.3 1 436 46 46 VAL H H 7.421 0.020 1 437 46 46 VAL HA H 4.134 0.020 1 438 46 46 VAL HB H 1.887 0.020 1 439 46 46 VAL HG1 H 0.952 0.020 2 440 46 46 VAL HG2 H 0.770 0.020 2 441 46 46 VAL C C 176.031 0.3 1 442 46 46 VAL CA C 64.123 0.3 1 443 46 46 VAL CB C 35.315 0.3 1 444 46 46 VAL CG1 C 22.094 0.3 1 445 46 46 VAL CG2 C 22.094 0.3 1 446 46 46 VAL N N 118.458 0.3 1 447 47 47 VAL H H 8.047 0.020 1 448 47 47 VAL C C 169.272 0.3 1 449 47 47 VAL CA C 57.749 0.3 1 450 47 47 VAL CB C 31.973 0.3 1 451 47 47 VAL N N 112.394 0.3 1 452 48 48 PRO HA H 4.288 0.020 1 453 48 48 PRO HB2 H 2.543 0.020 1 454 48 48 PRO HB3 H 2.543 0.020 1 455 48 48 PRO HG2 H 1.943 0.020 1 456 48 48 PRO HG3 H 1.943 0.020 1 457 48 48 PRO C C 181.229 0.3 1 458 48 48 PRO CA C 66.402 0.3 1 459 48 48 PRO CB C 31.836 0.3 1 460 48 48 PRO CG C 27.869 0.3 1 461 49 49 LYS H H 10.558 0.020 1 462 49 49 LYS HA H 3.967 0.020 1 463 49 49 LYS HB2 H 1.608 0.020 1 464 49 49 LYS HB3 H 1.608 0.020 1 465 49 49 LYS HD2 H 1.329 0.020 1 466 49 49 LYS HD3 H 1.329 0.020 1 467 49 49 LYS HE2 H 2.459 0.020 1 468 49 49 LYS HE3 H 2.459 0.020 1 469 49 49 LYS HG2 H 1.063 0.020 1 470 49 49 LYS HG3 H 1.063 0.020 1 471 49 49 LYS C C 182.066 0.3 1 472 49 49 LYS CA C 60.575 0.3 1 473 49 49 LYS CB C 32.184 0.3 1 474 49 49 LYS CD C 29.887 0.3 1 475 49 49 LYS CE C 42.343 0.3 1 476 49 49 LYS CG C 26.617 0.3 1 477 49 49 LYS N N 122.252 0.3 1 478 50 50 THR H H 10.135 0.020 1 479 50 50 THR HA H 4.093 0.020 1 480 50 50 THR HB H 4.093 0.020 1 481 50 50 THR HG2 H 0.812 0.020 1 482 50 50 THR C C 177.639 0.3 1 483 50 50 THR CA C 67.742 0.3 1 484 50 50 THR CB C 69.064 0.3 1 485 50 50 THR CG2 C 22.650 0.3 1 486 50 50 THR N N 124.159 0.3 1 487 51 51 ALA H H 9.132 0.020 1 488 51 51 ALA HA H 3.953 0.020 1 489 51 51 ALA HB H 1.440 0.020 1 490 51 51 ALA C C 178.057 0.3 1 491 51 51 ALA CA C 56.399 0.3 1 492 51 51 ALA CB C 19.241 0.3 1 493 51 51 ALA N N 125.763 0.3 1 494 52 52 GLU H H 8.006 0.020 1 495 52 52 GLU HA H 4.344 0.020 1 496 52 52 GLU HB2 H 1.692 0.020 1 497 52 52 GLU HB3 H 1.692 0.020 1 498 52 52 GLU HG2 H 2.320 0.020 2 499 52 52 GLU HG3 H 1.929 0.020 2 500 52 52 GLU C C 177.484 0.3 1 501 52 52 GLU CA C 58.696 0.3 1 502 52 52 GLU CB C 28.774 0.3 1 503 52 52 GLU CG C 34.549 0.3 1 504 52 52 GLU N N 117.554 0.3 1 505 53 53 ASN H H 7.024 0.020 1 506 53 53 ASN HA H 3.897 0.020 1 507 53 53 ASN HB2 H 2.794 0.020 2 508 53 53 ASN HB3 H 2.222 0.020 2 509 53 53 ASN C C 174.401 0.3 1 510 53 53 ASN CA C 57.165 0.3 1 511 53 53 ASN CB C 39.908 0.3 1 512 53 53 ASN N N 115.354 0.3 1 513 54 54 PHE H H 6.957 0.020 1 514 54 54 PHE HA H 4.093 0.020 1 515 54 54 PHE HB2 H 2.990 0.020 2 516 54 54 PHE HB3 H 2.836 0.020 2 517 54 54 PHE C C 178.233 0.3 1 518 54 54 PHE CA C 62.105 0.3 1 519 54 54 PHE CB C 40.812 0.3 1 520 54 54 PHE N N 116.918 0.3 1 521 55 55 ARG H H 8.753 0.020 1 522 55 55 ARG HA H 3.562 0.020 1 523 55 55 ARG HB2 H 1.733 0.020 1 524 55 55 ARG HB3 H 1.733 0.020 1 525 55 55 ARG HD2 H 3.032 0.020 1 526 55 55 ARG HD3 H 3.032 0.020 1 527 55 55 ARG HG2 H 1.482 0.020 2 528 55 55 ARG HG3 H 1.175 0.020 2 529 55 55 ARG C C 178.123 0.3 1 530 55 55 ARG CA C 61.201 0.3 1 531 55 55 ARG CB C 30.444 0.3 1 532 55 55 ARG CD C 42.552 0.3 1 533 55 55 ARG CG C 25.016 0.3 1 534 55 55 ARG N N 119.481 0.3 1 535 56 56 ALA H H 8.320 0.020 1 536 56 56 ALA HA H 3.897 0.020 1 537 56 56 ALA HB H 1.091 0.020 1 538 56 56 ALA C C 181.757 0.3 1 539 56 56 ALA CA C 54.729 0.3 1 540 56 56 ALA CB C 18.684 0.3 1 541 56 56 ALA N N 117.923 0.3 1 542 57 57 LEU H H 7.684 0.020 1 543 57 57 LEU HA H 4.735 0.020 1 544 57 57 LEU HB2 H 2.752 0.020 1 545 57 57 LEU HB3 H 2.752 0.020 1 546 57 57 LEU HD1 H 1.371 0.020 1 547 57 57 LEU HD2 H 1.371 0.020 1 548 57 57 LEU HG H 2.752 0.020 1 549 57 57 LEU C C 179.929 0.3 1 550 57 57 LEU CA C 57.169 0.3 1 551 57 57 LEU CB C 39.560 0.3 1 552 57 57 LEU N N 121.315 0.3 1 553 58 58 CYS H H 7.956 0.020 1 554 58 58 CYS HA H 3.939 0.020 1 555 58 58 CYS HB2 H 3.395 0.020 2 556 58 58 CYS HB3 H 2.110 0.020 2 557 58 58 CYS C C 175.656 0.3 1 558 58 58 CYS CA C 65.724 0.3 1 559 58 58 CYS CB C 26.825 0.3 1 560 58 58 CYS N N 121.341 0.3 1 561 59 59 THR H H 7.744 0.020 1 562 59 59 THR HA H 4.330 0.020 1 563 59 59 THR HB H 4.051 0.020 1 564 59 59 THR HG2 H 1.203 0.020 1 565 59 59 THR C C 178.211 0.3 1 566 59 59 THR CA C 63.567 0.3 1 567 59 59 THR CB C 69.551 0.3 1 568 59 59 THR CG2 C 22.581 0.3 1 569 59 59 THR N N 105.318 0.3 1 570 60 60 GLY H H 7.666 0.020 1 571 60 60 GLY HA2 H 3.827 0.020 2 572 60 60 GLY HA3 H 3.576 0.020 2 573 60 60 GLY C C 178.101 0.3 1 574 60 60 GLY CA C 46.170 0.3 1 575 60 60 GLY N N 108.463 0.3 1 576 61 61 GLU H H 8.025 0.020 1 577 61 61 GLU HA H 4.051 0.020 1 578 61 61 GLU HB2 H 1.720 0.020 1 579 61 61 GLU HB3 H 1.720 0.020 1 580 61 61 GLU HG2 H 2.110 0.020 2 581 61 61 GLU HG3 H 2.013 0.020 2 582 61 61 GLU C C 176.736 0.3 1 583 61 61 GLU CA C 59.044 0.3 1 584 61 61 GLU CB C 30.444 0.3 1 585 61 61 GLU CG C 35.663 0.3 1 586 61 61 GLU N N 118.604 0.3 1 587 62 62 LYS H H 9.128 0.020 1 588 62 62 LYS HA H 4.232 0.020 1 589 62 62 LYS HB2 H 1.594 0.020 1 590 62 62 LYS HB3 H 1.594 0.020 1 591 62 62 LYS HD2 H 1.287 0.020 1 592 62 62 LYS HD3 H 1.287 0.020 1 593 62 62 LYS HG2 H 0.882 0.020 1 594 62 62 LYS HG3 H 0.882 0.020 1 595 62 62 LYS C C 177.110 0.3 1 596 62 62 LYS CA C 55.356 0.3 1 597 62 62 LYS CB C 31.001 0.3 1 598 62 62 LYS CD C 28.008 0.3 1 599 62 62 LYS CG C 25.434 0.3 1 600 62 62 LYS N N 118.602 0.3 1 601 63 63 GLY H H 7.846 0.020 1 602 63 63 GLY HA2 H 4.567 0.020 2 603 63 63 GLY HA3 H 3.576 0.020 2 604 63 63 GLY C C 173.035 0.3 1 605 63 63 GLY CA C 45.405 0.3 1 606 63 63 GLY N N 104.903 0.3 1 607 64 64 TRP H H 7.039 0.020 1 608 64 64 TRP HA H 4.804 0.020 1 609 64 64 TRP HB2 H 3.227 0.020 1 610 64 64 TRP HB3 H 3.227 0.020 1 611 64 64 TRP C C 172.969 0.3 1 612 64 64 TRP CA C 56.956 0.3 1 613 64 64 TRP CB C 31.766 0.3 1 614 64 64 TRP N N 119.611 0.3 1 615 65 65 GLY H H 8.176 0.020 1 616 65 65 GLY HA2 H 4.162 0.020 2 617 65 65 GLY HA3 H 3.436 0.020 2 618 65 65 GLY C C 171.758 0.3 1 619 65 65 GLY CA C 47.284 0.3 1 620 65 65 GLY N N 104.612 0.3 1 621 66 66 TYR H H 7.330 0.020 1 622 66 66 TYR HA H 4.288 0.020 1 623 66 66 TYR HB2 H 2.962 0.020 2 624 66 66 TYR HB3 H 1.999 0.020 2 625 66 66 TYR C C 175.965 0.3 1 626 66 66 TYR CA C 57.304 0.3 1 627 66 66 TYR CB C 39.351 0.3 1 628 66 66 TYR N N 115.743 0.3 1 629 67 67 LYS H H 8.125 0.020 1 630 67 67 LYS HA H 3.548 0.020 1 631 67 67 LYS HB2 H 1.720 0.020 2 632 67 67 LYS HB3 H 1.580 0.020 2 633 67 67 LYS HD2 H 1.371 0.020 1 634 67 67 LYS HD3 H 1.371 0.020 1 635 67 67 LYS HE2 H 3.032 0.020 1 636 67 67 LYS HE3 H 3.032 0.020 1 637 67 67 LYS HG2 H 1.119 0.020 1 638 67 67 LYS HG3 H 1.119 0.020 1 639 67 67 LYS C C 177.661 0.3 1 640 67 67 LYS CA C 60.157 0.3 1 641 67 67 LYS CB C 32.044 0.3 1 642 67 67 LYS CD C 30.235 0.3 1 643 67 67 LYS CG C 25.364 0.3 1 644 67 67 LYS N N 119.781 0.3 1 645 68 68 GLY H H 9.428 0.020 1 646 68 68 GLY HA2 H 4.134 0.020 2 647 68 68 GLY HA3 H 3.423 0.020 2 648 68 68 GLY C C 173.806 0.3 1 649 68 68 GLY CA C 45.683 0.3 1 650 68 68 GLY N N 116.349 0.3 1 651 69 69 VAL H H 8.092 0.020 1 652 69 69 VAL CA C 60.114 0.3 1 653 69 69 VAL CB C 32.300 0.3 1 654 69 69 VAL N N 121.448 0.3 1 655 70 70 PRO HA H 5.307 0.020 1 656 70 70 PRO HB2 H 2.096 0.020 1 657 70 70 PRO HB3 H 2.096 0.020 1 658 70 70 PRO HG2 H 1.817 0.020 1 659 70 70 PRO HG3 H 1.817 0.020 1 660 70 70 PRO C C 178.498 0.3 1 661 70 70 PRO CA C 62.295 0.3 1 662 70 70 PRO CB C 33.784 0.3 1 663 70 70 PRO CG C 27.800 0.3 1 664 71 71 PHE H H 8.472 0.020 1 665 71 71 PHE HA H 4.707 0.020 1 666 71 71 PHE HB2 H 3.283 0.020 2 667 71 71 PHE HB3 H 2.683 0.020 2 668 71 71 PHE C C 174.731 0.3 1 669 71 71 PHE CA C 59.183 0.3 1 670 71 71 PHE CB C 38.516 0.3 1 671 71 71 PHE N N 119.577 0.3 1 672 72 72 HIS H H 7.406 0.020 1 673 72 72 HIS HA H 4.665 0.020 1 674 72 72 HIS HB2 H 3.241 0.020 2 675 72 72 HIS HB3 H 2.669 0.020 2 676 72 72 HIS C C 174.841 0.3 1 677 72 72 HIS CA C 57.443 0.3 1 678 72 72 HIS CB C 32.879 0.3 1 679 72 72 HIS N N 119.840 0.3 1 680 73 73 ARG H H 7.080 0.020 1 681 73 73 ARG HA H 4.972 0.020 1 682 73 73 ARG HB2 H 1.357 0.020 1 683 73 73 ARG HB3 H 1.357 0.020 1 684 73 73 ARG HD2 H 3.018 0.020 1 685 73 73 ARG HD3 H 3.018 0.020 1 686 73 73 ARG HG2 H 1.119 0.020 1 687 73 73 ARG HG3 H 1.119 0.020 1 688 73 73 ARG C C 173.189 0.3 1 689 73 73 ARG CA C 55.634 0.3 1 690 73 73 ARG CB C 33.645 0.3 1 691 73 73 ARG CD C 43.804 0.3 1 692 73 73 ARG CG C 28.356 0.3 1 693 73 73 ARG N N 123.567 0.3 1 694 74 74 ILE H H 9.142 0.020 1 695 74 74 ILE HA H 4.358 0.020 1 696 74 74 ILE HB H 1.412 0.020 1 697 74 74 ILE HD1 H 0.840 0.020 1 698 74 74 ILE HG12 H 1.133 0.020 1 699 74 74 ILE HG13 H 1.133 0.020 1 700 74 74 ILE HG2 H 0.840 0.020 1 701 74 74 ILE C C 173.476 0.3 1 702 74 74 ILE CA C 61.758 0.3 1 703 74 74 ILE CB C 42.738 0.3 1 704 74 74 ILE CD1 C 19.728 0.3 1 705 74 74 ILE CG1 C 31.766 0.3 1 706 74 74 ILE CG2 C 27.800 0.3 1 707 74 74 ILE N N 126.978 0.3 1 708 75 75 ILE H H 8.617 0.020 1 709 75 75 ILE C C 170.213 0.3 1 710 75 75 ILE CA C 57.384 0.3 1 711 75 75 ILE CB C 40.568 0.3 1 712 75 75 ILE N N 127.353 0.3 1 713 77 77 ASP HA H 3.995 0.020 1 714 77 77 ASP HB2 H 3.506 0.020 2 715 77 77 ASP HB3 H 2.836 0.020 2 716 77 77 ASP C C 173.432 0.3 1 717 77 77 ASP CA C 56.330 0.3 1 718 77 77 ASP CB C 39.768 0.3 1 719 78 78 PHE H H 7.587 0.020 1 720 78 78 PHE HA H 5.056 0.020 1 721 78 78 PHE HB2 H 3.157 0.020 2 722 78 78 PHE HB3 H 2.878 0.020 2 723 78 78 PHE C C 173.608 0.3 1 724 78 78 PHE CA C 58.209 0.3 1 725 78 78 PHE CB C 39.420 0.3 1 726 78 78 PHE N N 113.748 0.3 1 727 79 79 MET H H 8.205 0.020 1 728 79 79 MET HA H 5.153 0.020 1 729 79 79 MET HB2 H 1.957 0.020 1 730 79 79 MET HB3 H 1.957 0.020 1 731 79 79 MET HG2 H 1.287 0.020 2 732 79 79 MET HG3 H 0.924 0.020 2 733 79 79 MET C C 172.881 0.3 1 734 79 79 MET CA C 55.425 0.3 1 735 79 79 MET CB C 35.454 0.3 1 736 79 79 MET CG C 29.122 0.3 1 737 79 79 MET N N 111.582 0.3 1 738 80 80 ILE H H 8.401 0.020 1 739 80 80 ILE HA H 4.246 0.020 1 740 80 80 ILE HB H 1.510 0.020 1 741 80 80 ILE HD1 H 0.463 0.020 1 742 80 80 ILE HG12 H 1.245 0.020 1 743 80 80 ILE HG13 H 1.245 0.020 1 744 80 80 ILE HG2 H 0.770 0.020 1 745 80 80 ILE C C 173.432 0.3 1 746 80 80 ILE CA C 60.853 0.3 1 747 80 80 ILE CB C 42.204 0.3 1 748 80 80 ILE CD1 C 19.101 0.3 1 749 80 80 ILE CG1 C 28.217 0.3 1 750 80 80 ILE CG2 C 19.101 0.3 1 751 80 80 ILE N N 116.798 0.3 1 752 81 81 GLN H H 9.404 0.020 1 753 81 81 GLN HA H 5.181 0.020 1 754 81 81 GLN HB2 H 1.915 0.020 2 755 81 81 GLN HB3 H 1.706 0.020 2 756 81 81 GLN HG2 H 2.473 0.020 1 757 81 81 GLN HG3 H 2.473 0.020 1 758 81 81 GLN C C 175.106 0.3 1 759 81 81 GLN CA C 54.660 0.3 1 760 81 81 GLN CB C 31.279 0.3 1 761 81 81 GLN CG C 33.993 0.3 1 762 81 81 GLN N N 127.233 0.3 1 763 82 82 GLY H H 7.584 0.020 1 764 82 82 GLY HA2 H 4.257 0.020 2 765 82 82 GLY HA3 H 3.855 0.020 2 766 82 82 GLY C C 178.432 0.3 1 767 82 82 GLY CA C 46.031 0.3 1 768 82 82 GLY N N 109.017 0.3 1 769 83 83 GLY H H 8.486 0.020 1 770 83 83 GLY HA2 H 4.428 0.020 2 771 83 83 GLY HA3 H 3.478 0.020 2 772 83 83 GLY C C 173.872 0.3 1 773 83 83 GLY CA C 48.745 0.3 1 774 83 83 GLY N N 110.740 0.3 1 775 84 84 ASP H H 9.033 0.020 1 776 84 84 ASP HA H 4.330 0.020 1 777 84 84 ASP HB2 H 3.115 0.020 2 778 84 84 ASP HB3 H 1.678 0.020 2 779 84 84 ASP C C 175.857 0.3 1 780 84 84 ASP CA C 54.242 0.3 1 781 84 84 ASP CB C 39.073 0.3 1 782 84 84 ASP N N 122.328 0.3 1 783 85 85 THR H H 6.952 0.020 1 784 85 85 THR HA H 4.553 0.020 1 785 85 85 THR HB H 4.162 0.020 1 786 85 85 THR HG2 H 1.189 0.020 1 787 85 85 THR C C 175.348 0.3 1 788 85 85 THR CA C 65.028 0.3 1 789 85 85 THR CB C 68.438 0.3 1 790 85 85 THR CG2 C 22.302 0.3 1 791 85 85 THR N N 116.514 0.3 1 792 86 86 ASP H H 8.213 0.020 1 793 86 86 ASP C C 175.637 0.3 1 794 86 86 ASP CA C 55.860 0.3 1 795 86 86 ASP CB C 42.335 0.3 1 796 86 86 ASP N N 120.300 0.3 1 797 87 87 LEU HA H 4.218 0.020 1 798 87 87 LEU HB2 H 2.110 0.020 1 799 87 87 LEU HB3 H 2.110 0.020 1 800 87 87 LEU HD1 H 0.938 0.020 1 801 87 87 LEU HD2 H 0.938 0.020 1 802 87 87 LEU HG H 1.566 0.020 1 803 87 87 LEU C C 177.573 0.3 1 804 87 87 LEU CA C 56.539 0.3 1 805 87 87 LEU CB C 38.098 0.3 1 806 87 87 LEU CD1 C 27.660 0.3 1 807 87 87 LEU CD2 C 25.782 0.3 1 808 87 87 LEU CG C 24.320 0.3 1 809 88 88 THR H H 6.881 0.020 1 810 88 88 THR HA H 4.581 0.020 1 811 88 88 THR HB H 4.386 0.020 1 812 88 88 THR HG2 H 0.924 0.020 1 813 88 88 THR C C 176.009 0.3 1 814 88 88 THR CA C 60.644 0.3 1 815 88 88 THR CB C 67.603 0.3 1 816 88 88 THR CG2 C 22.094 0.3 1 817 88 88 THR N N 103.838 0.3 1 818 89 89 ASN H H 8.537 0.020 1 819 89 89 ASN HA H 3.756 0.020 1 820 89 89 ASN HB2 H 2.904 0.020 2 821 89 89 ASN HB3 H 2.498 0.020 2 822 89 89 ASN C C 173.894 0.3 1 823 89 89 ASN CA C 54.442 0.3 1 824 89 89 ASN CB C 38.238 0.3 1 825 89 89 ASN N N 116.681 0.3 1 826 90 90 GLY H H 8.934 0.020 1 827 90 90 GLY HA2 H 4.065 0.020 2 828 90 90 GLY HA3 H 2.822 0.020 2 829 90 90 GLY C C 175.921 0.3 1 830 90 90 GLY CA C 44.639 0.3 1 831 90 90 GLY N N 102.942 0.3 1 832 91 91 PHE H H 7.210 0.020 1 833 91 91 PHE HA H 4.442 0.020 1 834 91 91 PHE HB2 H 3.213 0.020 2 835 91 91 PHE HB3 H 2.794 0.020 2 836 91 91 PHE C C 176.603 0.3 1 837 91 91 PHE CA C 59.246 0.3 1 838 91 91 PHE CB C 39.768 0.3 1 839 91 91 PHE N N 121.126 0.3 1 840 92 92 GLY H H 7.818 0.020 1 841 92 92 GLY HA2 H 4.581 0.020 2 842 92 92 GLY HA3 H 3.660 0.020 2 843 92 92 GLY C C 174.687 0.3 1 844 92 92 GLY CA C 46.588 0.3 1 845 92 92 GLY N N 108.637 0.3 1 846 93 93 GLY H H 8.691 0.020 1 847 93 93 GLY HA2 H 5.042 0.020 2 848 93 93 GLY HA3 H 3.618 0.020 2 849 93 93 GLY C C 173.784 0.3 1 850 93 93 GLY CA C 45.266 0.3 1 851 93 93 GLY N N 113.948 0.3 1 852 94 94 LYS H H 7.119 0.020 1 853 94 94 LYS HA H 4.623 0.020 1 854 94 94 LYS HB2 H 1.496 0.020 1 855 94 94 LYS HB3 H 1.496 0.020 1 856 94 94 LYS HD2 H 1.273 0.020 1 857 94 94 LYS HD3 H 1.273 0.020 1 858 94 94 LYS HE2 H 2.515 0.020 1 859 94 94 LYS HE3 H 2.515 0.020 1 860 94 94 LYS HG2 H 1.049 0.020 1 861 94 94 LYS HG3 H 1.049 0.020 1 862 94 94 LYS C C 175.436 0.3 1 863 94 94 LYS CA C 56.121 0.3 1 864 94 94 LYS CB C 35.872 0.3 1 865 94 94 LYS CD C 29.400 0.3 1 866 94 94 LYS CE C 41.717 0.3 1 867 94 94 LYS CG C 24.529 0.3 1 868 94 94 LYS N N 120.558 0.3 1 869 95 95 SER H H 8.211 0.020 1 870 95 95 SER HA H 4.818 0.020 1 871 95 95 SER HB2 H 4.218 0.020 1 872 95 95 SER HB3 H 4.218 0.020 1 873 95 95 SER C C 176.471 0.3 1 874 95 95 SER CA C 58.209 0.3 1 875 95 95 SER CB C 68.295 0.3 1 876 95 95 SER N N 118.327 0.3 1 877 96 96 ILE H H 8.607 0.020 1 878 96 96 ILE HA H 4.148 0.020 1 879 96 96 ILE HB H 1.538 0.020 1 880 96 96 ILE HD1 H 0.393 0.020 1 881 96 96 ILE HG12 H 1.538 0.020 1 882 96 96 ILE HG13 H 1.538 0.020 1 883 96 96 ILE HG2 H 0.393 0.020 1 884 96 96 ILE C C 176.339 0.3 1 885 96 96 ILE CA C 64.402 0.3 1 886 96 96 ILE CB C 37.750 0.3 1 887 96 96 ILE CD1 C 17.849 0.3 1 888 96 96 ILE CG1 C 23.555 0.3 1 889 96 96 ILE CG2 C 17.849 0.3 1 890 96 96 ILE N N 112.948 0.3 1 891 97 97 TYR H H 7.767 0.020 1 892 97 97 TYR HA H 4.595 0.020 1 893 97 97 TYR HB2 H 3.353 0.020 2 894 97 97 TYR HB3 H 2.320 0.020 2 895 97 97 TYR C C 175.766 0.3 1 896 97 97 TYR CA C 57.234 0.3 1 897 97 97 TYR CB C 39.003 0.3 1 898 97 97 TYR N N 120.321 0.3 1 899 98 98 GLY H H 7.380 0.020 1 900 98 98 GLY C C 174.337 0.3 1 901 98 98 GLY CA C 44.625 0.3 1 902 98 98 GLY N N 107.711 0.3 1 903 99 99 SER HA H 3.953 0.020 1 904 99 99 SER HB2 H 3.855 0.020 1 905 99 99 SER HB3 H 3.855 0.020 1 906 99 99 SER C C 174.093 0.3 1 907 99 99 SER CA C 60.853 0.3 1 908 99 99 SER CB C 64.054 0.3 1 909 100 100 LYS H H 7.924 0.020 1 910 100 100 LYS HA H 5.279 0.020 1 911 100 100 LYS HB2 H 2.571 0.020 1 912 100 100 LYS HB3 H 2.571 0.020 1 913 100 100 LYS HD2 H 1.566 0.020 1 914 100 100 LYS HD3 H 1.566 0.020 1 915 100 100 LYS HG2 H 1.273 0.020 1 916 100 100 LYS HG3 H 1.273 0.020 1 917 100 100 LYS C C 176.405 0.3 1 918 100 100 LYS CA C 55.634 0.3 1 919 100 100 LYS CB C 35.663 0.3 1 920 100 100 LYS CD C 29.609 0.3 1 921 100 100 LYS CE C 42.830 0.3 1 922 100 100 LYS CG C 25.155 0.3 1 923 100 100 LYS N N 117.630 0.3 1 924 101 101 PHE H H 9.045 0.020 1 925 101 101 PHE HA H 5.014 0.020 1 926 101 101 PHE HB2 H 2.948 0.020 1 927 101 101 PHE HB3 H 2.948 0.020 1 928 101 101 PHE C C 174.687 0.3 1 929 101 101 PHE CA C 56.052 0.3 1 930 101 101 PHE CB C 42.621 0.3 1 931 101 101 PHE N N 117.407 0.3 1 932 102 102 ALA H H 8.265 0.020 1 933 102 102 ALA HA H 3.730 0.020 1 934 102 102 ALA HB H 1.231 0.020 1 935 102 102 ALA C C 178.938 0.3 1 936 102 102 ALA CA C 52.642 0.3 1 937 102 102 ALA CB C 19.658 0.3 1 938 102 102 ALA N N 122.240 0.3 1 939 103 103 ASP H H 8.682 0.020 1 940 103 103 ASP HA H 4.120 0.020 1 941 103 103 ASP HB2 H 2.306 0.020 2 942 103 103 ASP HB3 H 1.845 0.020 2 943 103 103 ASP CA C 54.551 0.3 1 944 103 103 ASP CB C 41.508 0.3 1 945 103 103 ASP N N 119.203 0.3 1 946 104 104 GLU H H 9.277 0.020 1 947 104 104 GLU HA H 3.716 0.020 1 948 104 104 GLU HB2 H 1.817 0.020 1 949 104 104 GLU HB3 H 1.817 0.020 1 950 104 104 GLU HG2 H 2.306 0.020 2 951 104 104 GLU HG3 H 2.082 0.020 2 952 104 104 GLU C C 176.557 0.3 1 953 104 104 GLU CA C 61.131 0.3 1 954 104 104 GLU CB C 32.253 0.3 1 955 104 104 GLU CG C 36.011 0.3 1 956 104 104 GLU N N 131.972 0.3 1 957 105 105 ASN H H 6.920 0.020 1 958 105 105 ASN HA H 4.009 0.020 1 959 105 105 ASN HB2 H 3.353 0.020 2 960 105 105 ASN HB3 H 2.655 0.020 2 961 105 105 ASN C C 170.922 0.3 1 962 105 105 ASN CA C 53.477 0.3 1 963 105 105 ASN CB C 40.186 0.3 1 964 105 105 ASN N N 106.585 0.3 1 965 106 106 PHE H H 8.232 0.020 1 966 106 106 PHE CA C 55.751 0.3 1 967 106 106 PHE CB C 39.063 0.3 1 968 106 106 PHE N N 112.905 0.3 1 969 107 107 VAL HA H 3.464 0.020 1 970 107 107 VAL HB H 1.650 0.020 1 971 107 107 VAL HG1 H 0.798 0.020 1 972 107 107 VAL HG2 H 0.798 0.020 1 973 107 107 VAL C C 178.542 0.3 1 974 107 107 VAL CA C 67.046 0.3 1 975 107 107 VAL CB C 32.462 0.3 1 976 107 107 VAL CG1 C 22.859 0.3 1 977 107 107 VAL CG2 C 21.189 0.3 1 978 108 108 LYS H H 7.700 0.020 1 979 108 108 LYS HA H 4.567 0.020 1 980 108 108 LYS HB2 H 1.999 0.020 1 981 108 108 LYS HB3 H 1.999 0.020 1 982 108 108 LYS HD2 H 1.496 0.020 1 983 108 108 LYS HD3 H 1.496 0.020 1 984 108 108 LYS HE2 H 2.934 0.020 1 985 108 108 LYS HE3 H 2.934 0.020 1 986 108 108 LYS HG2 H 1.189 0.020 1 987 108 108 LYS HG3 H 1.189 0.020 1 988 108 108 LYS C C 175.744 0.3 1 989 108 108 LYS CA C 54.006 0.3 1 990 108 108 LYS CB C 32.409 0.3 1 991 108 108 LYS CD C 31.001 0.3 1 992 108 108 LYS CE C 39.560 0.3 1 993 108 108 LYS CG C 24.599 0.3 1 994 108 108 LYS N N 115.150 0.3 1 995 109 109 LYS H H 8.297 0.020 1 996 109 109 LYS HA H 4.442 0.020 1 997 109 109 LYS HB2 H 2.180 0.020 1 998 109 109 LYS HB3 H 2.180 0.020 1 999 109 109 LYS HD2 H 1.468 0.020 1 1000 109 109 LYS HD3 H 1.468 0.020 1 1001 109 109 LYS HE2 H 2.990 0.020 1 1002 109 109 LYS HE3 H 2.990 0.020 1 1003 109 109 LYS C C 177.308 0.3 1 1004 109 109 LYS CA C 54.521 0.3 1 1005 109 109 LYS CB C 34.619 0.3 1 1006 109 109 LYS CD C 31.209 0.3 1 1007 109 109 LYS CE C 43.109 0.3 1 1008 109 109 LYS CG C 25.990 0.3 1 1009 109 109 LYS N N 120.838 0.3 1 1010 110 110 HIS H H 10.969 0.020 1 1011 110 110 HIS HA H 4.483 0.020 1 1012 110 110 HIS HB2 H 3.046 0.020 2 1013 110 110 HIS HB3 H 2.850 0.020 2 1014 110 110 HIS C C 178.432 0.3 1 1015 110 110 HIS CA C 56.052 0.3 1 1016 110 110 HIS CB C 26.477 0.3 1 1017 110 110 HIS N N 123.270 0.3 1 1018 111 111 ASP H H 7.948 0.020 1 1019 111 111 ASP HA H 4.428 0.020 1 1020 111 111 ASP HB2 H 2.934 0.020 2 1021 111 111 ASP HB3 H 2.431 0.020 2 1022 111 111 ASP C C 175.855 0.3 1 1023 111 111 ASP CA C 54.242 0.3 1 1024 111 111 ASP CB C 41.160 0.3 1 1025 111 111 ASP N N 118.978 0.3 1 1026 112 112 LYS H H 7.303 0.020 1 1027 112 112 LYS HA H 4.497 0.020 1 1028 112 112 LYS HB2 H 1.901 0.020 2 1029 112 112 LYS HB3 H 1.636 0.020 2 1030 112 112 LYS HD2 H 1.343 0.020 1 1031 112 112 LYS HD3 H 1.343 0.020 1 1032 112 112 LYS HG2 H 1.063 0.020 1 1033 112 112 LYS HG3 H 1.063 0.020 1 1034 112 112 LYS C C 174.687 0.3 1 1035 112 112 LYS CA C 55.216 0.3 1 1036 112 112 LYS CB C 36.150 0.3 1 1037 112 112 LYS CD C 22.511 0.3 1 1038 112 112 LYS CE C 43.039 0.3 1 1039 112 112 LYS CG C 18.753 0.3 1 1040 112 112 LYS N N 113.921 0.3 1 1041 113 113 ALA H H 8.567 0.020 1 1042 113 113 ALA HA H 3.548 0.020 1 1043 113 113 ALA HB H 1.077 0.020 1 1044 113 113 ALA C C 176.890 0.3 1 1045 113 113 ALA CA C 53.129 0.3 1 1046 113 113 ALA CB C 20.702 0.3 1 1047 113 113 ALA N N 122.284 0.3 1 1048 114 114 GLY H H 8.306 0.020 1 1049 114 114 GLY HA2 H 4.065 0.020 2 1050 114 114 GLY HA3 H 3.381 0.020 2 1051 114 114 GLY C C 173.564 0.3 1 1052 114 114 GLY CA C 47.075 0.3 1 1053 114 114 GLY N N 108.481 0.3 1 1054 115 115 LEU H H 7.600 0.020 1 1055 115 115 LEU HA H 4.777 0.020 1 1056 115 115 LEU HB2 H 1.692 0.020 1 1057 115 115 LEU HB3 H 1.692 0.020 1 1058 115 115 LEU HD1 H 1.189 0.020 1 1059 115 115 LEU HD2 H 1.189 0.020 1 1060 115 115 LEU HG H 1.426 0.020 1 1061 115 115 LEU C C 175.766 0.3 1 1062 115 115 LEU CA C 53.894 0.3 1 1063 115 115 LEU CB C 44.152 0.3 1 1064 115 115 LEU CD1 C 29.957 0.3 1 1065 115 115 LEU CD2 C 29.957 0.3 1 1066 115 115 LEU CG C 24.181 0.3 1 1067 115 115 LEU N N 118.843 0.3 1 1068 116 116 LEU H H 7.409 0.020 1 1069 116 116 LEU HA H 4.302 0.020 1 1070 116 116 LEU HB2 H 1.789 0.020 1 1071 116 116 LEU HB3 H 1.789 0.020 1 1072 116 116 LEU HD1 H -0.319 0.020 2 1073 116 116 LEU HD2 H -0.654 0.020 2 1074 116 116 LEU HG H 0.393 0.020 1 1075 116 116 LEU C C 174.874 0.3 1 1076 116 116 LEU CA C 53.198 0.3 1 1077 116 116 LEU CB C 42.691 0.3 1 1078 116 116 LEU CG C 26.130 0.3 1 1079 116 116 LEU N N 119.323 0.3 1 1080 117 117 SER H H 8.255 0.020 1 1081 117 117 SER C C 174.337 0.3 1 1082 117 117 SER CA C 58.471 0.3 1 1083 117 117 SER CB C 64.061 0.3 1 1084 117 117 SER N N 116.756 0.3 1 1085 118 118 MET HA H 5.223 0.020 1 1086 118 118 MET C C 178.302 0.3 1 1087 118 118 MET CA C 54.451 0.3 1 1088 118 118 MET CB C 32.462 0.3 1 1089 118 118 MET CG C 31.418 0.3 1 1090 119 119 ALA H H 7.525 0.020 1 1091 119 119 ALA HA H 4.469 0.020 1 1092 119 119 ALA HB H 1.231 0.020 1 1093 119 119 ALA C C 176.031 0.3 1 1094 119 119 ALA CA C 52.155 0.3 1 1095 119 119 ALA CB C 20.354 0.3 1 1096 119 119 ALA N N 125.665 0.3 1 1097 120 120 ASN H H 8.428 0.020 1 1098 120 120 ASN HA H 4.330 0.020 1 1099 120 120 ASN HB2 H 3.213 0.020 2 1100 120 120 ASN HB3 H 2.906 0.020 2 1101 120 120 ASN C C 173.828 0.3 1 1102 120 120 ASN CA C 54.799 0.3 1 1103 120 120 ASN CB C 40.951 0.3 1 1104 120 120 ASN N N 114.375 0.3 1 1105 121 121 ALA H H 8.715 0.020 1 1106 121 121 ALA HA H 4.721 0.020 1 1107 121 121 ALA HB H 1.231 0.020 1 1108 121 121 ALA C C 177.088 0.3 1 1109 121 121 ALA CA C 50.902 0.3 1 1110 121 121 ALA CB C 19.728 0.3 1 1111 121 121 ALA N N 123.113 0.3 1 1112 122 122 GLY H H 8.119 0.020 1 1113 122 122 GLY C C 169.270 0.3 1 1114 122 122 GLY CA C 43.535 0.3 1 1115 122 122 GLY N N 109.200 0.3 1 1116 123 123 PRO HA H 4.274 0.020 1 1117 123 123 PRO HB2 H 2.250 0.020 2 1118 123 123 PRO HB3 H 1.999 0.020 2 1119 123 123 PRO HG2 H 1.775 0.020 1 1120 123 123 PRO HG3 H 1.775 0.020 1 1121 123 123 PRO C C 176.295 0.3 1 1122 123 123 PRO CA C 64.541 0.3 1 1123 123 123 PRO CB C 32.531 0.3 1 1124 123 123 PRO CG C 28.217 0.3 1 1125 124 124 ASN H H 8.838 0.020 1 1126 124 124 ASN HA H 3.967 0.020 1 1127 124 124 ASN HB2 H 3.032 0.020 2 1128 124 124 ASN HB3 H 2.599 0.020 2 1129 124 124 ASN C C 175.062 0.3 1 1130 124 124 ASN CA C 54.729 0.3 1 1131 124 124 ASN CB C 37.402 0.3 1 1132 124 124 ASN N N 119.118 0.3 1 1133 125 125 THR H H 10.194 0.020 1 1134 125 125 THR HA H 4.595 0.020 1 1135 125 125 THR HB H 4.358 0.020 1 1136 125 125 THR HG2 H 0.840 0.020 1 1137 125 125 THR C C 173.740 0.3 1 1138 125 125 THR CA C 60.575 0.3 1 1139 125 125 THR CB C 69.482 0.3 1 1140 125 125 THR CG2 C 21.746 0.3 1 1141 125 125 THR N N 110.238 0.3 1 1142 126 126 ASN H H 7.247 0.020 1 1143 126 126 ASN HA H 4.162 0.020 1 1144 126 126 ASN HB2 H 1.468 0.020 2 1145 126 126 ASN HB3 H 0.826 0.020 2 1146 126 126 ASN C C 174.225 0.3 1 1147 126 126 ASN CA C 56.469 0.3 1 1148 126 126 ASN CB C 39.699 0.3 1 1149 126 126 ASN N N 120.084 0.3 1 1150 127 127 GLY H H 9.142 0.020 1 1151 127 127 GLY HA2 H 4.609 0.020 2 1152 127 127 GLY HA3 H 3.576 0.020 2 1153 127 127 GLY C C 171.317 0.3 1 1154 127 127 GLY CA C 46.309 0.3 1 1155 127 127 GLY N N 110.914 0.3 1 1156 128 128 SER H H 8.786 0.020 1 1157 128 128 SER C C 177.727 0.3 1 1158 128 128 SER CA C 58.414 0.3 1 1159 128 128 SER CB C 66.486 0.3 1 1160 128 128 SER N N 119.247 0.3 1 1161 129 129 GLN HA H 4.609 0.020 1 1162 129 129 GLN HB2 H 2.739 0.020 1 1163 129 129 GLN HB3 H 2.739 0.020 1 1164 129 129 GLN HG2 H 3.088 0.020 1 1165 129 129 GLN HG3 H 3.088 0.020 1 1166 129 129 GLN C C 175.590 0.3 1 1167 129 129 GLN CA C 58.835 0.3 1 1168 129 129 GLN CB C 32.810 0.3 1 1169 129 129 GLN CG C 35.802 0.3 1 1170 130 130 PHE H H 7.698 0.020 1 1171 130 130 PHE HA H 5.740 0.020 1 1172 130 130 PHE HB2 H 3.269 0.020 1 1173 130 130 PHE HB3 H 3.269 0.020 1 1174 130 130 PHE C C 171.824 0.3 1 1175 130 130 PHE CA C 55.982 0.3 1 1176 130 130 PHE CB C 43.874 0.3 1 1177 130 130 PHE N N 116.291 0.3 1 1178 131 131 PHE H H 9.846 0.020 1 1179 131 131 PHE HA H 4.916 0.020 1 1180 131 131 PHE HB2 H 2.808 0.020 2 1181 131 131 PHE HB3 H 2.683 0.020 2 1182 131 131 PHE C C 173.278 0.3 1 1183 131 131 PHE CA C 55.356 0.3 1 1184 131 131 PHE CB C 44.152 0.3 1 1185 131 131 PHE N N 116.659 0.3 1 1186 132 132 ILE H H 9.255 0.020 1 1187 132 132 ILE HA H 5.279 0.020 1 1188 132 132 ILE HB H 1.650 0.020 1 1189 132 132 ILE HD1 H 0.742 0.020 1 1190 132 132 ILE HG12 H 1.650 0.020 1 1191 132 132 ILE HG13 H 1.650 0.020 1 1192 132 132 ILE HG2 H 0.742 0.020 1 1193 132 132 ILE C C 178.145 0.3 1 1194 132 132 ILE CA C 59.252 0.3 1 1195 132 132 ILE CB C 41.508 0.3 1 1196 132 132 ILE CD1 C 14.857 0.3 1 1197 132 132 ILE CG1 C 28.635 0.3 1 1198 132 132 ILE CG2 C 17.640 0.3 1 1199 132 132 ILE N N 118.690 0.3 1 1200 133 133 THR H H 9.459 0.020 1 1201 133 133 THR HA H 5.028 0.020 1 1202 133 133 THR HB H 4.344 0.020 1 1203 133 133 THR HG2 H 1.552 0.020 1 1204 133 133 THR C C 177.198 0.3 1 1205 133 133 THR CA C 61.758 0.3 1 1206 133 133 THR CB C 71.012 0.3 1 1207 133 133 THR CG2 C 27.591 0.3 1 1208 133 133 THR N N 117.311 0.3 1 1209 134 134 THR H H 8.659 0.020 1 1210 134 134 THR HA H 4.469 0.020 1 1211 134 134 THR HB H 3.855 0.020 1 1212 134 134 THR HG2 H 0.770 0.020 1 1213 134 134 THR C C 173.762 0.3 1 1214 134 134 THR CA C 61.758 0.3 1 1215 134 134 THR CB C 68.299 0.3 1 1216 134 134 THR CG2 C 22.859 0.3 1 1217 134 134 THR N N 110.560 0.3 1 1218 135 135 VAL H H 7.704 0.020 1 1219 135 135 VAL CA C 58.632 0.3 1 1220 135 135 VAL CB C 35.354 0.3 1 1221 135 135 VAL N N 115.138 0.3 1 1222 136 136 PRO C C 175.813 0.3 1 1223 136 136 PRO CA C 64.193 0.3 1 1224 136 136 PRO CB C 32.184 0.3 1 1225 136 136 PRO CG C 29.122 0.3 1 1226 137 137 CYS H H 7.862 0.020 1 1227 137 137 CYS CA C 63.932 0.3 1 1228 137 137 CYS CB C 28.264 0.3 1 1229 137 137 CYS N N 117.111 0.3 1 1230 138 138 PRO HA H 4.232 0.020 1 1231 138 138 PRO HB2 H 2.292 0.020 1 1232 138 138 PRO HB3 H 2.292 0.020 1 1233 138 138 PRO HG2 H 2.041 0.020 1 1234 138 138 PRO HG3 H 2.041 0.020 1 1235 138 138 PRO C C 177.903 0.3 1 1236 138 138 PRO CA C 64.819 0.3 1 1237 138 138 PRO CB C 31.696 0.3 1 1238 138 138 PRO CG C 28.078 0.3 1 1239 139 139 TRP H H 6.816 0.020 1 1240 139 139 TRP HA H 4.539 0.020 1 1241 139 139 TRP HB2 H 3.255 0.020 1 1242 139 139 TRP HB3 H 3.255 0.020 1 1243 139 139 TRP C C 176.736 0.3 1 1244 139 139 TRP CA C 60.435 0.3 1 1245 139 139 TRP CB C 27.313 0.3 1 1246 139 139 TRP N N 115.249 0.3 1 1247 140 140 LEU H H 7.315 0.020 1 1248 140 140 LEU HA H 4.232 0.020 1 1249 140 140 LEU HB2 H 1.091 0.020 1 1250 140 140 LEU HB3 H 1.091 0.020 1 1251 140 140 LEU HD1 H 0.379 0.020 1 1252 140 140 LEU HD2 H 0.379 0.020 1 1253 140 140 LEU HG H 0.770 0.020 1 1254 140 140 LEU C C 177.396 0.3 1 1255 140 140 LEU CA C 55.008 0.3 1 1256 140 140 LEU CB C 39.629 0.3 1 1257 140 140 LEU CD1 C 26.477 0.3 1 1258 140 140 LEU CD2 C 22.233 0.3 1 1259 140 140 LEU CG C 26.477 0.3 1 1260 140 140 LEU N N 120.882 0.3 1 1261 141 141 ASP H H 7.401 0.020 1 1262 141 141 ASP HA H 5.070 0.020 1 1263 141 141 ASP HB2 H 2.780 0.020 2 1264 141 141 ASP HB3 H 2.627 0.020 2 1265 141 141 ASP C C 178.608 0.3 1 1266 141 141 ASP CA C 56.469 0.3 1 1267 141 141 ASP CB C 39.768 0.3 1 1268 141 141 ASP N N 122.410 0.3 1 1269 142 142 GLY H H 9.219 0.020 1 1270 142 142 GLY HA2 H 2.725 0.020 1 1271 142 142 GLY HA3 H 2.725 0.020 1 1272 142 142 GLY C C 172.463 0.3 1 1273 142 142 GLY CA C 45.474 0.3 1 1274 142 142 GLY N N 110.675 0.3 1 1275 143 143 LYS H H 7.714 0.020 1 1276 143 143 LYS HA H 4.023 0.020 1 1277 143 143 LYS HB2 H 1.664 0.020 1 1278 143 143 LYS HB3 H 1.664 0.020 1 1279 143 143 LYS HD2 H 1.385 0.020 1 1280 143 143 LYS HD3 H 1.385 0.020 1 1281 143 143 LYS HG2 H 1.133 0.020 1 1282 143 143 LYS HG3 H 1.133 0.020 1 1283 143 143 LYS C C 175.678 0.3 1 1284 143 143 LYS CA C 56.817 0.3 1 1285 143 143 LYS CB C 35.732 0.3 1 1286 143 143 LYS CD C 29.748 0.3 1 1287 143 143 LYS CE C 42.691 0.3 1 1288 143 143 LYS CG C 25.712 0.3 1 1289 143 143 LYS N N 114.884 0.3 1 1290 144 144 HIS H H 7.365 0.020 1 1291 144 144 HIS C C 175.040 0.3 1 1292 144 144 HIS CA C 54.779 0.3 1 1293 144 144 HIS CB C 32.021 0.3 1 1294 144 144 HIS N N 118.899 0.3 1 1295 145 145 VAL HA H 4.148 0.020 1 1296 145 145 VAL HB H 2.166 0.020 1 1297 145 145 VAL HG1 H 1.664 0.020 1 1298 145 145 VAL HG2 H 1.664 0.020 1 1299 145 145 VAL C C 176.378 0.3 1 1300 145 145 VAL CA C 63.353 0.3 1 1301 145 145 VAL CB C 32.531 0.3 1 1302 145 145 VAL CG1 C 27.869 0.3 1 1303 145 145 VAL CG2 C 27.869 0.3 1 1304 146 146 VAL H H 9.443 0.020 1 1305 146 146 VAL C C 177.969 0.3 1 1306 146 146 VAL CA C 62.668 0.3 1 1307 146 146 VAL CB C 39.281 0.3 1 1308 146 146 VAL CG1 C 24.529 0.3 1 1309 146 146 VAL CG2 C 24.529 0.3 1 1310 146 146 VAL N N 118.306 0.3 1 1311 147 147 PHE H H 8.150 0.020 1 1312 147 147 PHE HA H 5.153 0.020 1 1313 147 147 PHE HB2 H 3.074 0.020 2 1314 147 147 PHE HB3 H 2.320 0.020 2 1315 147 147 PHE C C 173.101 0.3 1 1316 147 147 PHE CA C 56.539 0.3 1 1317 147 147 PHE CB C 43.178 0.3 1 1318 147 147 PHE N N 118.290 0.3 1 1319 148 148 GLY H H 6.876 0.020 1 1320 148 148 GLY HA2 H 3.283 0.020 2 1321 148 148 GLY HA3 H 2.292 0.020 2 1322 148 148 GLY C C 169.927 0.3 1 1323 148 148 GLY CA C 46.309 0.3 1 1324 148 148 GLY N N 111.782 0.3 1 1325 149 149 GLU H H 8.607 0.020 1 1326 149 149 GLU HA H 5.251 0.020 1 1327 149 149 GLU HB2 H 1.859 0.020 1 1328 149 149 GLU HB3 H 1.859 0.020 1 1329 149 149 GLU HG2 H 2.222 0.020 1 1330 149 149 GLU HG3 H 2.222 0.020 1 1331 149 149 GLU C C 174.533 0.3 1 1332 149 149 GLU CA C 54.381 0.3 1 1333 149 149 GLU CB C 34.619 0.3 1 1334 149 149 GLU CG C 35.872 0.3 1 1335 149 149 GLU N N 112.466 0.3 1 1336 150 150 VAL H H 8.980 0.020 1 1337 150 150 VAL HA H 3.953 0.020 1 1338 150 150 VAL HB H 1.929 0.020 1 1339 150 150 VAL HG1 H 0.756 0.020 2 1340 150 150 VAL HG2 H 0.505 0.020 2 1341 150 150 VAL C C 177.440 0.3 1 1342 150 150 VAL CA C 63.288 0.3 1 1343 150 150 VAL CB C 33.366 0.3 1 1344 150 150 VAL CG1 C 22.441 0.3 1 1345 150 150 VAL CG2 C 21.885 0.3 1 1346 150 150 VAL N N 121.951 0.3 1 1347 151 151 THR H H 9.318 0.020 1 1348 151 151 THR HA H 4.358 0.020 1 1349 151 151 THR HB H 4.120 0.020 1 1350 151 151 THR HG2 H 1.161 0.020 1 1351 151 151 THR C C 175.106 0.3 1 1352 151 151 THR CA C 62.801 0.3 1 1353 151 151 THR CB C 69.412 0.3 1 1354 151 151 THR CG2 C 24.320 0.3 1 1355 151 151 THR N N 121.182 0.3 1 1356 152 152 LYS H H 7.550 0.020 1 1357 152 152 LYS HA H 4.330 0.020 1 1358 152 152 LYS HB2 H 1.664 0.020 1 1359 152 152 LYS HB3 H 1.664 0.020 1 1360 152 152 LYS HD2 H 1.371 0.020 1 1361 152 152 LYS HD3 H 1.371 0.020 1 1362 152 152 LYS HE2 H 2.501 0.020 1 1363 152 152 LYS HE3 H 2.501 0.020 1 1364 152 152 LYS C C 174.841 0.3 1 1365 152 152 LYS CA C 57.278 0.3 1 1366 152 152 LYS CB C 36.776 0.3 1 1367 152 152 LYS CD C 30.026 0.3 1 1368 152 152 LYS CE C 42.830 0.3 1 1369 152 152 LYS CG C 25.782 0.3 1 1370 152 152 LYS N N 123.771 0.3 1 1371 153 153 GLY H H 8.579 0.020 1 1372 153 153 GLY HA2 H 4.609 0.020 2 1373 153 153 GLY HA3 H 3.953 0.020 2 1374 153 153 GLY C C 177.154 0.3 1 1375 153 153 GLY CA C 46.170 0.3 1 1376 153 153 GLY N N 110.675 0.3 1 1377 154 154 MET H H 8.916 0.020 1 1378 154 154 MET HA H 4.358 0.020 1 1379 154 154 MET HB2 H 2.585 0.020 1 1380 154 154 MET HB3 H 2.585 0.020 1 1381 154 154 MET HG2 H 1.985 0.020 1 1382 154 154 MET HG3 H 1.985 0.020 1 1383 154 154 MET C C 178.101 0.3 1 1384 154 154 MET CA C 57.304 0.3 1 1385 154 154 MET CB C 30.374 0.3 1 1386 154 154 MET CG C 33.575 0.3 1 1387 154 154 MET N N 122.529 0.3 1 1388 155 155 ASP H H 9.167 0.020 1 1389 155 155 ASP HA H 4.162 0.020 1 1390 155 155 ASP HB2 H 2.669 0.020 2 1391 155 155 ASP HB3 H 2.473 0.020 2 1392 155 155 ASP C C 178.784 0.3 1 1393 155 155 ASP CA C 56.956 0.3 1 1394 155 155 ASP CB C 38.725 0.3 1 1395 155 155 ASP N N 116.485 0.3 1 1396 156 156 ILE H H 7.460 0.020 1 1397 156 156 ILE HA H 3.702 0.020 1 1398 156 156 ILE HB H 2.278 0.020 1 1399 156 156 ILE HD1 H 0.659 0.020 1 1400 156 156 ILE HG12 H 1.315 0.020 1 1401 156 156 ILE HG13 H 1.315 0.020 1 1402 156 156 ILE HG2 H 0.659 0.020 1 1403 156 156 ILE C C 178.387 0.3 1 1404 156 156 ILE CA C 62.801 0.3 1 1405 156 156 ILE CB C 35.663 0.3 1 1406 156 156 ILE CD1 C 18.614 0.3 1 1407 156 156 ILE CG1 C 27.939 0.3 1 1408 156 156 ILE CG2 C 18.614 0.3 1 1409 156 156 ILE N N 124.282 0.3 1 1410 157 157 VAL H H 7.606 0.020 1 1411 157 157 VAL HA H 3.185 0.020 1 1412 157 157 VAL HB H 2.613 0.020 1 1413 157 157 VAL HG1 H 0.966 0.020 2 1414 157 157 VAL HG2 H 0.659 0.020 2 1415 157 157 VAL C C 175.811 0.3 1 1416 157 157 VAL CA C 68.020 0.3 1 1417 157 157 VAL CB C 31.348 0.3 1 1418 157 157 VAL CG1 C 24.112 0.3 1 1419 157 157 VAL CG2 C 21.885 0.3 1 1420 157 157 VAL N N 121.491 0.3 1 1421 158 158 LYS H H 8.156 0.020 1 1422 158 158 LYS HA H 4.107 0.020 1 1423 158 158 LYS HB2 H 1.817 0.020 1 1424 158 158 LYS HB3 H 1.817 0.020 1 1425 158 158 LYS HD2 H 1.566 0.020 1 1426 158 158 LYS HD3 H 1.566 0.020 1 1427 158 158 LYS HE2 H 2.683 0.020 1 1428 158 158 LYS HE3 H 2.683 0.020 1 1429 158 158 LYS HG2 H 1.161 0.020 2 1430 158 158 LYS HG3 H 0.812 0.020 2 1431 158 158 LYS C C 179.555 0.3 1 1432 158 158 LYS CA C 58.487 0.3 1 1433 158 158 LYS CB C 30.722 0.3 1 1434 158 158 LYS CD C 27.660 0.3 1 1435 158 158 LYS CG C 24.738 0.3 1 1436 158 158 LYS N N 117.039 0.3 1 1437 159 159 ALA H H 7.730 0.020 1 1438 159 159 ALA HA H 4.093 0.020 1 1439 159 159 ALA HB H 1.524 0.020 1 1440 159 159 ALA C C 181.273 0.3 1 1441 159 159 ALA CA C 55.704 0.3 1 1442 159 159 ALA CB C 17.918 0.3 1 1443 159 159 ALA N N 123.707 0.3 1 1444 160 160 ILE H H 8.195 0.020 1 1445 160 160 ILE HA H 3.534 0.020 1 1446 160 160 ILE HB H 1.859 0.020 1 1447 160 160 ILE HD1 H 0.533 0.020 1 1448 160 160 ILE HG12 H 1.859 0.020 1 1449 160 160 ILE HG13 H 1.859 0.020 1 1450 160 160 ILE HG2 H 0.533 0.020 1 1451 160 160 ILE C C 177.793 0.3 1 1452 160 160 ILE CA C 66.907 0.3 1 1453 160 160 ILE CB C 38.168 0.3 1 1454 160 160 ILE CD1 C 18.614 0.3 1 1455 160 160 ILE CG1 C 29.191 0.3 1 1456 160 160 ILE CG2 C 18.614 0.3 1 1457 160 160 ILE N N 119.615 0.3 1 1458 161 161 GLU H H 8.355 0.020 1 1459 161 161 GLU HA H 3.450 0.020 1 1460 161 161 GLU HB2 H 1.887 0.020 1 1461 161 161 GLU HB3 H 1.887 0.020 1 1462 161 161 GLU HG2 H 2.431 0.020 2 1463 161 161 GLU HG3 H 2.166 0.020 2 1464 161 161 GLU C C 177.837 0.3 1 1465 161 161 GLU CA C 59.322 0.3 1 1466 161 161 GLU CB C 30.722 0.3 1 1467 161 161 GLU CG C 37.124 0.3 1 1468 161 161 GLU N N 119.961 0.3 1 1469 162 162 SER H H 7.448 0.020 1 1470 162 162 SER HA H 4.274 0.020 1 1471 162 162 SER HB2 H 3.785 0.020 1 1472 162 162 SER HB3 H 3.785 0.020 1 1473 162 162 SER C C 175.392 0.3 1 1474 162 162 SER CA C 61.340 0.3 1 1475 162 162 SER CB C 63.636 0.3 1 1476 162 162 SER N N 112.362 0.3 1 1477 163 163 TYR H H 7.919 0.020 1 1478 163 163 TYR HA H 4.400 0.020 1 1479 163 163 TYR HB2 H 3.115 0.020 2 1480 163 163 TYR HB3 H 3.018 0.020 2 1481 163 163 TYR C C 175.766 0.3 1 1482 163 163 TYR CA C 60.296 0.3 1 1483 163 163 TYR CB C 38.933 0.3 1 1484 163 163 TYR N N 119.187 0.3 1 1485 164 164 GLY H H 8.114 0.020 1 1486 164 164 GLY HA2 H 4.204 0.020 2 1487 164 164 GLY HA3 H 3.423 0.020 2 1488 164 164 GLY C C 172.000 0.3 1 1489 164 164 GLY CA C 45.753 0.3 1 1490 164 164 GLY N N 106.786 0.3 1 1491 165 165 THR H H 7.446 0.020 1 1492 165 165 THR HA H 4.637 0.020 1 1493 165 165 THR HB H 4.414 0.020 1 1494 165 165 THR HG2 H 1.273 0.020 1 1495 165 165 THR C C 175.722 0.3 1 1496 165 165 THR CA C 60.714 0.3 1 1497 165 165 THR CB C 74.283 0.3 1 1498 165 165 THR CG2 C 22.581 0.3 1 1499 165 165 THR N N 105.712 0.3 1 1500 166 166 ALA H H 8.830 0.020 1 1501 166 166 ALA HA H 3.827 0.020 1 1502 166 166 ALA HB H 1.440 0.020 1 1503 166 166 ALA C C 179.467 0.3 1 1504 166 166 ALA CA C 55.982 0.3 1 1505 166 166 ALA CB C 18.614 0.3 1 1506 166 166 ALA N N 123.650 0.3 1 1507 167 167 SER H H 7.964 0.020 1 1508 167 167 SER HA H 4.260 0.020 1 1509 167 167 SER HB2 H 4.009 0.020 1 1510 167 167 SER HB3 H 4.009 0.020 1 1511 167 167 SER C C 175.855 0.3 1 1512 167 167 SER CA C 59.531 0.3 1 1513 167 167 SER CB C 64.611 0.3 1 1514 167 167 SER N N 108.188 0.3 1 1515 168 168 GLY H H 8.110 0.020 1 1516 168 168 GLY HA2 H 3.995 0.020 1 1517 168 168 GLY HA3 H 3.995 0.020 1 1518 168 168 GLY C C 173.542 0.3 1 1519 168 168 GLY CA C 45.196 0.3 1 1520 168 168 GLY N N 112.768 0.3 1 1521 169 169 LYS H H 7.364 0.020 1 1522 169 169 LYS C C 175.700 0.3 1 1523 169 169 LYS CA C 54.442 0.3 1 1524 169 169 LYS CB C 32.736 0.3 1 1525 169 169 LYS N N 122.746 0.3 1 1526 170 170 PRO HA H 4.804 0.020 1 1527 170 170 PRO HB2 H 2.278 0.020 1 1528 170 170 PRO HB3 H 2.278 0.020 1 1529 170 170 PRO HG2 H 1.720 0.020 1 1530 170 170 PRO HG3 H 1.720 0.020 1 1531 170 170 PRO C C 178.013 0.3 1 1532 170 170 PRO CA C 63.080 0.3 1 1533 170 170 PRO CB C 34.271 0.3 1 1534 170 170 PRO CG C 28.704 0.3 1 1535 171 171 ARG H H 9.288 0.020 1 1536 171 171 ARG HA H 4.372 0.020 1 1537 171 171 ARG HB2 H 2.110 0.020 1 1538 171 171 ARG HB3 H 2.110 0.020 1 1539 171 171 ARG HD2 H 3.213 0.020 1 1540 171 171 ARG HD3 H 3.213 0.020 1 1541 171 171 ARG HG2 H 1.789 0.020 2 1542 171 171 ARG HG3 H 1.706 0.020 2 1543 171 171 ARG C C 175.040 0.3 1 1544 171 171 ARG CA C 56.821 0.3 1 1545 171 171 ARG CB C 31.418 0.3 1 1546 171 171 ARG CD C 43.874 0.3 1 1547 171 171 ARG CG C 28.495 0.3 1 1548 171 171 ARG N N 118.626 0.3 1 1549 172 172 ALA H H 7.478 0.020 1 1550 172 172 ALA HA H 4.442 0.020 1 1551 172 172 ALA HB H 0.896 0.020 1 1552 172 172 ALA C C 174.643 0.3 1 1553 172 172 ALA CA C 51.180 0.3 1 1554 172 172 ALA CB C 23.624 0.3 1 1555 172 172 ALA N N 118.576 0.3 1 1556 173 173 GLU H H 8.064 0.020 1 1557 173 173 GLU HA H 4.288 0.020 1 1558 173 173 GLU HB2 H 2.055 0.020 2 1559 173 173 GLU HB3 H 1.915 0.020 2 1560 173 173 GLU HG2 H 2.878 0.020 1 1561 173 173 GLU HG3 H 2.878 0.020 1 1562 173 173 GLU C C 175.062 0.3 1 1563 173 173 GLU CA C 56.608 0.3 1 1564 173 173 GLU CB C 30.374 0.3 1 1565 173 173 GLU CG C 37.194 0.3 1 1566 173 173 GLU N N 119.598 0.3 1 1567 174 174 ILE H H 9.223 0.020 1 1568 174 174 ILE HA H 5.139 0.020 1 1569 174 174 ILE HB H 1.887 0.020 1 1570 174 174 ILE HD1 H 0.770 0.020 1 1571 174 174 ILE HG12 H 1.301 0.020 1 1572 174 174 ILE HG13 H 1.301 0.020 1 1573 174 174 ILE HG2 H 0.770 0.020 1 1574 174 174 ILE C C 175.238 0.3 1 1575 174 174 ILE CA C 60.575 0.3 1 1576 174 174 ILE CB C 39.212 0.3 1 1577 174 174 ILE CD1 C 15.413 0.3 1 1578 174 174 ILE CG1 C 28.217 0.3 1 1579 174 174 ILE CG2 C 19.101 0.3 1 1580 174 174 ILE N N 130.446 0.3 1 1581 175 175 VAL H H 8.637 0.020 1 1582 175 175 VAL HA H 4.442 0.020 1 1583 175 175 VAL HB H 1.622 0.020 1 1584 175 175 VAL HG1 H 0.617 0.020 1 1585 175 175 VAL HG2 H 0.617 0.020 1 1586 175 175 VAL C C 175.612 0.3 1 1587 175 175 VAL CA C 60.019 0.3 1 1588 175 175 VAL CB C 36.846 0.3 1 1589 175 175 VAL CG1 C 21.259 0.3 1 1590 175 175 VAL CG2 C 21.259 0.3 1 1591 175 175 VAL N N 122.284 0.3 1 1592 176 176 ILE H H 7.158 0.020 1 1593 176 176 ILE HA H 4.918 0.020 1 1594 176 176 ILE C C 173.454 0.3 1 1595 176 176 ILE CA C 63.219 0.3 1 1596 176 176 ILE CB C 36.985 0.3 1 1597 176 176 ILE CD1 C 13.326 0.3 1 1598 176 176 ILE CG1 C 29.887 0.3 1 1599 176 176 ILE CG2 C 19.241 0.3 1 1600 176 176 ILE N N 123.696 0.3 1 1601 177 177 GLU H H 8.511 0.020 1 1602 177 177 GLU HA H 4.162 0.020 1 1603 177 177 GLU HB2 H 2.124 0.020 2 1604 177 177 GLU HB3 H 1.971 0.020 2 1605 177 177 GLU HG2 H 3.046 0.020 1 1606 177 177 GLU HG3 H 3.046 0.020 1 1607 177 177 GLU C C 176.273 0.3 1 1608 177 177 GLU CA C 59.183 0.3 1 1609 177 177 GLU CB C 30.861 0.3 1 1610 177 177 GLU CG C 36.846 0.3 1 1611 177 177 GLU N N 133.347 0.3 1 1612 178 178 GLU H H 7.377 0.020 1 1613 178 178 GLU HA H 4.595 0.020 1 1614 178 178 GLU HB2 H 2.124 0.020 1 1615 178 178 GLU HB3 H 2.124 0.020 1 1616 178 178 GLU HG2 H 2.362 0.020 1 1617 178 178 GLU HG3 H 2.362 0.020 1 1618 178 178 GLU C C 172.837 0.3 1 1619 178 178 GLU CA C 55.008 0.3 1 1620 178 178 GLU CB C 34.480 0.3 1 1621 178 178 GLU CG C 36.776 0.3 1 1622 178 178 GLU N N 113.214 0.3 1 1623 179 179 ALA H H 8.661 0.020 1 1624 179 179 ALA HA H 4.447 0.020 1 1625 179 179 ALA HB H 1.361 0.020 1 1626 179 179 ALA C C 175.238 0.3 1 1627 179 179 ALA CA C 51.250 0.3 1 1628 179 179 ALA CB C 23.694 0.3 1 1629 179 179 ALA N N 125.513 0.3 1 1630 180 180 GLY H H 6.577 0.020 1 1631 180 180 GLY HA2 H 3.855 0.020 2 1632 180 180 GLY HA3 H 3.255 0.020 2 1633 180 180 GLY C C 170.443 0.3 1 1634 180 180 GLY CA C 46.240 0.3 1 1635 180 180 GLY N N 102.225 0.3 1 1636 181 181 GLU H H 8.550 0.020 1 1637 181 181 GLU HA H 5.014 0.020 1 1638 181 181 GLU HB2 H 1.929 0.020 2 1639 181 181 GLU HB3 H 1.859 0.020 2 1640 181 181 GLU HG2 H 2.222 0.020 1 1641 181 181 GLU HG3 H 2.222 0.020 1 1642 181 181 GLU C C 175.634 0.3 1 1643 181 181 GLU CA C 55.634 0.3 1 1644 181 181 GLU CB C 33.366 0.3 1 1645 181 181 GLU CG C 37.194 0.3 1 1646 181 181 GLU N N 118.802 0.3 1 1647 182 182 LEU H H 8.017 0.020 1 1648 182 182 LEU HA H 4.235 0.020 1 1649 182 182 LEU HB2 H 1.365 0.020 1 1650 182 182 LEU HB3 H 1.365 0.020 1 1651 182 182 LEU HG H 1.365 0.020 1 1652 182 182 LEU C C 179.037 0.3 1 1653 182 182 LEU CA C 55.834 0.3 1 1654 182 182 LEU CB C 43.978 0.3 1 1655 182 182 LEU N N 128.900 0.3 1 stop_ save_