data_4942 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C Resonance Assignments and Secondary Structure of the Liver Ribonuclease from Bullfrog Rana catesbeiana ; _BMRB_accession_number 4942 _BMRB_flat_file_name bmr4942.str _Entry_type original _Submission_date 2001-01-18 _Accession_date 2001-01-18 _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 Su Ning-Yuan . . 2 Liao You-Di . . 3 Chang Chi-Fon . . 4 Wanga Iren . . 5 Chen Chinpan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 668 "13C chemical shifts" 491 "15N chemical shifts" 116 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-04-03 original BMRB . stop_ _Original_release_date 2001-01-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 15N and 13C Resonance Assignments and Secondary Structure of the Liver Ribonuclease from Bullfrog Rana catesbeiana ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21386226 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Su Ning-Yuan . . 2 Liao You-Di . . 3 Chang Chi-Fon . . 4 Wanga Iren . . 5 Chen Chinpan . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 20 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 189 _Page_last 190 _Year 2001 _Details . loop_ _Keyword bullfrog cytotoxicity lectin liver ribonuclease stop_ save_ ################################## # Molecular system description # ################################## save_system_rRC-RNase_L1 _Saveframe_category molecular_system _Mol_system_name 'Recombinant RC-RNase L1' _Abbreviation_common 'rRC-RNase L1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'rRC-RNase L1' $rRC-RNase_L1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' loop_ _Biological_function antitumor 'cytotoxic protein' ribonuclease stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_rRC-RNase_L1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'rRC-RNase L1[M(-1),Q1]' _Name_variant M(-1),Q1 _Abbreviation_common rRC-L1[M(-1),Q1] _Molecular_mass 12531 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 112 _Mol_residue_sequence ; MQNWAKFKEKHITSTSSIDC NTIMDKAIYIVGGKCKERNT FIISSEDNVKAICSGVSPDR KELSTTSFKLNTCIRDSITP RPCPYHPSPDNNKICVKCEK QLPVHFVGIGKC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 MET 2 1 GLN 3 2 ASN 4 3 TRP 5 4 ALA 6 5 LYS 7 6 PHE 8 7 LYS 9 8 GLU 10 9 LYS 11 10 HIS 12 11 ILE 13 12 THR 14 13 SER 15 14 THR 16 15 SER 17 16 SER 18 17 ILE 19 18 ASP 20 19 CYS 21 20 ASN 22 21 THR 23 22 ILE 24 23 MET 25 24 ASP 26 25 LYS 27 26 ALA 28 27 ILE 29 28 TYR 30 29 ILE 31 30 VAL 32 31 GLY 33 32 GLY 34 33 LYS 35 34 CYS 36 35 LYS 37 36 GLU 38 37 ARG 39 38 ASN 40 39 THR 41 40 PHE 42 41 ILE 43 42 ILE 44 43 SER 45 44 SER 46 45 GLU 47 46 ASP 48 47 ASN 49 48 VAL 50 49 LYS 51 50 ALA 52 51 ILE 53 52 CYS 54 53 SER 55 54 GLY 56 55 VAL 57 56 SER 58 57 PRO 59 58 ASP 60 59 ARG 61 60 LYS 62 61 GLU 63 62 LEU 64 63 SER 65 64 THR 66 65 THR 67 66 SER 68 67 PHE 69 68 LYS 70 69 LEU 71 70 ASN 72 71 THR 73 72 CYS 74 73 ILE 75 74 ARG 76 75 ASP 77 76 SER 78 77 ILE 79 78 THR 80 79 PRO 81 80 ARG 82 81 PRO 83 82 CYS 84 83 PRO 85 84 TYR 86 85 HIS 87 86 PRO 88 87 SER 89 88 PRO 90 89 ASP 91 90 ASN 92 91 ASN 93 92 LYS 94 93 ILE 95 94 CYS 96 95 VAL 97 96 LYS 98 97 CYS 99 98 GLU 100 99 LYS 101 100 GLN 102 101 LEU 103 102 PRO 104 103 VAL 105 104 HIS 106 105 PHE 107 106 VAL 108 107 GLY 109 108 ILE 110 109 GLY 111 110 LYS 112 111 CYS stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value GenBank AAG30414 'RC-RNaseL1 ribonuclease precursor [Rana catesbeiana]' 99.11 132 100.00 100.00 3.95e-59 SWISS-PROT P14626 'Ribonuclease, liver' 99.11 111 99.10 99.10 6.97e-58 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Organ $rRC-RNase_L1 bullfrog 8400 Eukaryota Metazoa Rana catesbeiana liver stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_type _Vector_name $rRC-RNase_L1 'recombinant technology' 'E. coli' Escherichia coli BL21 DE3 plasmid pET-11d 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 $rRC-RNase_L1 1.6 mM '[U-15N; U-13C]' stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Task 'data processing' stop_ _Details . save_ save_AURELIA _Saveframe_category software _Name AURELIA _Version . loop_ _Task assignment stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-13C_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label . save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label . save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label . save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label . save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label . save_ save_3D_15N_NOESY-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N NOESY-HSQC' _Sample_label . save_ save_3D_15N_TOCSY-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N TOCSY-HSQC' _Sample_label . save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label . save_ save_3D_C(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 3.5 0.1 n/a temperature 310 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 0.0 external indirect . external . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . internal . . DSS N 15 'methyl protons' ppm 0.0 external indirect . external . 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_CS_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'rRC-RNase L1' _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 . 2 GLN HA H 4.57 0.02 1 2 . 2 GLN HB2 H 2.20 0.02 2 3 . 2 GLN HB3 H 2.02 0.02 2 4 . 2 GLN HG2 H 2.46 0.02 1 5 . 2 GLN HG3 H 2.46 0.02 1 6 . 2 GLN HE21 H 7.56 0.02 2 7 . 2 GLN HE22 H 6.74 0.02 2 8 . 2 GLN C C 174.58 0.2 1 9 . 2 GLN CA C 55.27 0.2 1 10 . 2 GLN CB C 28.29 0.2 1 11 . 2 GLN CG C 32.77 0.2 1 12 . 2 GLN NE2 N 111.74 0.1 1 13 . 3 ASN H H 7.99 0.02 1 14 . 3 ASN HA H 4.77 0.02 1 15 . 3 ASN HB2 H 3.24 0.02 2 16 . 3 ASN HB3 H 3.05 0.02 2 17 . 3 ASN HD21 H 7.56 0.02 1 18 . 3 ASN HD22 H 6.86 0.02 1 19 . 3 ASN C C 175.53 0.2 1 20 . 3 ASN CA C 52.32 0.2 1 21 . 3 ASN CB C 38.92 0.2 1 22 . 3 ASN N N 118.74 0.1 1 23 . 3 ASN ND2 N 111.40 0.1 1 24 . 4 TRP H H 9.20 0.02 1 25 . 4 TRP HA H 5.28 0.02 1 26 . 4 TRP HB2 H 3.44 0.02 2 27 . 4 TRP HB3 H 3.14 0.02 2 28 . 4 TRP HD1 H 7.33 0.02 2 29 . 4 TRP HE1 H 10.32 0.02 1 30 . 4 TRP HE3 H 8.37 0.02 1 31 . 4 TRP HZ2 H 7.56 0.02 1 32 . 4 TRP HZ3 H 6.78 0.02 1 33 . 4 TRP HH2 H 7.14 0.02 1 34 . 4 TRP C C 176.21 0.2 1 35 . 4 TRP CA C 58.11 0.2 1 36 . 4 TRP CB C 30.66 0.2 1 37 . 4 TRP CD1 C 127.92 0.2 1 38 . 4 TRP CE3 C 123.72 0.2 1 39 . 4 TRP CZ2 C 113.39 0.2 1 40 . 4 TRP CZ3 C 119.32 0.2 1 41 . 4 TRP CH2 C 122.59 0.2 1 42 . 4 TRP N N 123.88 0.1 1 43 . 4 TRP NE1 N 127.80 0.1 1 44 . 5 ALA H H 8.08 0.02 1 45 . 5 ALA HA H 3.52 0.02 1 46 . 5 ALA HB H 1.41 0.02 1 47 . 5 ALA C C 180.93 0.2 1 48 . 5 ALA CA C 54.92 0.2 1 49 . 5 ALA CB C 17.30 0.2 1 50 . 5 ALA N N 120.67 0.1 1 51 . 6 LYS H H 8.24 0.02 1 52 . 6 LYS HA H 4.08 0.02 1 53 . 6 LYS HB2 H 1.99 0.02 2 54 . 6 LYS HB3 H 1.86 0.02 2 55 . 6 LYS HG2 H 1.62 0.02 2 56 . 6 LYS HG3 H 1.54 0.02 2 57 . 6 LYS HD2 H 1.76 0.02 2 58 . 6 LYS HD3 H 1.66 0.02 2 59 . 6 LYS HE2 H 2.98 0.02 1 60 . 6 LYS HE3 H 2.98 0.02 1 61 . 6 LYS C C 178.08 0.2 1 62 . 6 LYS CA C 57.66 0.2 1 63 . 6 LYS CB C 31.67 0.2 1 64 . 6 LYS CG C 24.80 0.2 1 65 . 6 LYS CD C 27.92 0.2 1 66 . 6 LYS CE C 41.67 0.2 1 67 . 6 LYS N N 117.40 0.1 1 68 . 7 PHE H H 8.20 0.02 1 69 . 7 PHE HA H 4.17 0.02 1 70 . 7 PHE HB2 H 3.59 0.02 2 71 . 7 PHE HB3 H 3.08 0.02 2 72 . 7 PHE HD1 H 7.14 0.02 2 73 . 7 PHE HE1 H 7.00 0.02 1 74 . 7 PHE HZ H 7.32 0.02 1 75 . 7 PHE C C 177.77 0.2 1 76 . 7 PHE CA C 61.03 0.2 1 77 . 7 PHE CB C 38.55 0.2 1 78 . 7 PHE CD1 C 132.08 0.2 1 79 . 7 PHE CE1 C 129.04 0.2 1 80 . 7 PHE CZ C 134.57 0.2 1 81 . 7 PHE N N 121.99 0.1 1 82 . 8 LYS H H 8.78 0.02 1 83 . 8 LYS HA H 3.44 0.02 1 84 . 8 LYS HB2 H 1.05 0.02 2 85 . 8 LYS HB3 H 0.88 0.02 2 86 . 8 LYS HG2 H 0.97 0.02 2 87 . 8 LYS HG3 H 0.83 0.02 2 88 . 8 LYS HD2 H 1.31 0.02 2 89 . 8 LYS HD3 H 1.08 0.02 2 90 . 8 LYS HE2 H 2.67 0.02 2 91 . 8 LYS HE3 H 2.51 0.02 2 92 . 8 LYS C C 178.32 0.2 1 93 . 8 LYS CA C 58.70 0.2 1 94 . 8 LYS CB C 30.61 0.2 1 95 . 8 LYS CG C 23.20 0.2 1 96 . 8 LYS CD C 28.76 0.2 1 97 . 8 LYS CE C 40.88 0.2 1 98 . 8 LYS N N 120.15 0.1 1 99 . 9 GLU H H 7.55 0.02 1 100 . 9 GLU HA H 3.89 0.02 1 101 . 9 GLU HB2 H 2.05 0.02 2 102 . 9 GLU HB3 H 1.93 0.02 2 103 . 9 GLU HG2 H 2.23 0.02 2 104 . 9 GLU HG3 H 2.07 0.02 2 105 . 9 GLU C C 178.47 0.2 1 106 . 9 GLU CA C 57.96 0.2 1 107 . 9 GLU CB C 28.91 0.2 1 108 . 9 GLU CG C 34.83 0.2 1 109 . 9 GLU N N 118.73 0.1 1 110 . 10 LYS H H 7.89 0.02 1 111 . 10 LYS HA H 3.82 0.02 1 112 . 10 LYS HB2 H 1.50 0.02 2 113 . 10 LYS HB3 H 0.98 0.02 2 114 . 10 LYS HG2 H 1.41 0.02 2 115 . 10 LYS HG3 H 0.82 0.02 2 116 . 10 LYS HD2 H 1.67 0.02 2 117 . 10 LYS HD3 H 1.59 0.02 2 118 . 10 LYS HE2 H 2.79 0.02 1 119 . 10 LYS HE3 H 2.79 0.02 1 120 . 10 LYS C C 179.50 0.2 1 121 . 10 LYS CA C 57.67 0.2 1 122 . 10 LYS CB C 34.03 0.2 1 123 . 10 LYS CG C 25.91 0.2 1 124 . 10 LYS CD C 29.03 0.2 1 125 . 10 LYS CE C 40.91 0.2 1 126 . 10 LYS N N 113.48 0.1 1 127 . 11 HIS H H 7.95 0.02 1 128 . 11 HIS HA H 4.47 0.02 1 129 . 11 HIS HB2 H 2.66 0.02 2 130 . 11 HIS HB3 H 2.10 0.02 2 131 . 11 HIS HD2 H 6.56 0.02 2 132 . 11 HIS HE1 H 8.35 0.02 1 133 . 11 HIS C C 173.32 0.2 1 134 . 11 HIS CA C 55.68 0.2 1 135 . 11 HIS CB C 30.30 0.2 1 136 . 11 HIS CD2 C 121.76 0.2 1 137 . 11 HIS CE1 C 137.07 0.2 1 138 . 11 HIS N N 110.45 0.1 1 139 . 12 ILE H H 8.36 0.02 1 140 . 12 ILE HA H 4.95 0.02 1 141 . 12 ILE HB H 1.97 0.02 1 142 . 12 ILE HG12 H 1.69 0.02 2 143 . 12 ILE HG13 H 1.00 0.02 2 144 . 12 ILE HG2 H 0.96 0.02 1 145 . 12 ILE HD1 H 1.10 0.02 1 146 . 12 ILE C C 175.07 0.2 1 147 . 12 ILE CA C 61.42 0.2 1 148 . 12 ILE CB C 37.69 0.2 1 149 . 12 ILE CG1 C 27.06 0.2 1 150 . 12 ILE CG2 C 16.44 0.2 1 151 . 12 ILE CD1 C 14.56 0.2 1 152 . 12 ILE N N 120.18 0.1 1 153 . 13 THR H H 8.66 0.02 1 154 . 13 THR HA H 4.84 0.02 1 155 . 13 THR HB H 3.99 0.02 1 156 . 13 THR HG2 H 1.00 0.02 1 157 . 13 THR C C 171.45 0.2 1 158 . 13 THR CA C 59.08 0.2 1 159 . 13 THR CB C 69.15 0.2 1 160 . 13 THR CG2 C 19.70 0.2 1 161 . 13 THR N N 122.43 0.1 1 162 . 14 SER H H 8.08 0.02 1 163 . 14 SER HA H 4.56 0.02 1 164 . 14 SER HB2 H 3.95 0.02 2 165 . 14 SER HB3 H 3.89 0.02 2 166 . 14 SER C C 174.85 0.2 1 167 . 14 SER CA C 57.67 0.2 1 168 . 14 SER CB C 63.52 0.2 1 169 . 14 SER N N 116.52 0.1 1 170 . 15 THR H H 7.76 0.02 1 171 . 15 THR HA H 4.44 0.02 1 172 . 15 THR HB H 4.07 0.02 1 173 . 15 THR HG2 H 1.04 0.02 1 174 . 15 THR C C 172.35 0.2 1 175 . 15 THR CA C 59.53 0.2 1 176 . 15 THR CB C 69.05 0.2 1 177 . 15 THR CG2 C 20.01 0.2 1 178 . 15 THR N N 116.38 0.1 1 179 . 16 SER H H 8.24 0.02 1 180 . 16 SER HA H 4.26 0.02 1 181 . 16 SER HB2 H 3.96 0.02 2 182 . 16 SER HB3 H 3.79 0.02 2 183 . 16 SER C C 175.29 0.2 1 184 . 16 SER CA C 58.65 0.2 1 185 . 16 SER CB C 62.92 0.2 1 186 . 16 SER N N 116.97 0.1 1 187 . 17 SER H H 7.93 0.02 1 188 . 17 SER HA H 4.48 0.02 1 189 . 17 SER HB2 H 3.77 0.02 2 190 . 17 SER HB3 H 3.70 0.02 2 191 . 17 SER C C 173.20 0.2 1 192 . 17 SER CA C 56.13 0.2 1 193 . 17 SER CB C 61.71 0.2 1 194 . 17 SER N N 118.55 0.1 1 195 . 18 ILE H H 7.67 0.02 1 196 . 18 ILE HA H 3.82 0.02 1 197 . 18 ILE HB H 1.32 0.02 1 198 . 18 ILE HG12 H 1.11 0.02 2 199 . 18 ILE HG13 H 0.63 0.02 2 200 . 18 ILE HG2 H 0.34 0.02 1 201 . 18 ILE HD1 H 0.38 0.02 1 202 . 18 ILE C C 174.41 0.2 1 203 . 18 ILE CA C 59.53 0.2 1 204 . 18 ILE CB C 39.85 0.2 1 205 . 18 ILE CG1 C 26.10 0.2 1 206 . 18 ILE CG2 C 16.10 0.2 1 207 . 18 ILE CD1 C 12.97 0.2 1 208 . 18 ILE N N 123.13 0.1 1 209 . 19 ASP H H 8.35 0.02 1 210 . 19 ASP HA H 4.81 0.02 1 211 . 19 ASP HB2 H 2.82 0.02 2 212 . 19 ASP HB3 H 2.48 0.02 2 213 . 19 ASP C C 175.98 0.2 1 214 . 19 ASP CA C 51.22 0.2 1 215 . 19 ASP CB C 40.15 0.2 1 216 . 19 ASP N N 126.55 0.1 1 217 . 20 CYS H H 9.56 0.02 1 218 . 20 CYS HA H 4.04 0.02 1 219 . 20 CYS HB2 H 2.64 0.02 2 220 . 20 CYS HB3 H 2.34 0.02 2 221 . 20 CYS C C 175.07 0.2 1 222 . 20 CYS CA C 57.96 0.2 1 223 . 20 CYS CB C 37.67 0.2 1 224 . 20 CYS N N 123.52 0.1 1 225 . 21 ASN H H 8.26 0.02 1 226 . 21 ASN HA H 4.49 0.02 1 227 . 21 ASN HB2 H 2.95 0.02 2 228 . 21 ASN HB3 H 2.77 0.02 2 229 . 21 ASN HD21 H 7.50 0.02 1 230 . 21 ASN HD22 H 6.89 0.02 1 231 . 21 ASN C C 177.96 0.2 1 232 . 21 ASN CA C 55.63 0.2 1 233 . 21 ASN CB C 37.05 0.2 1 234 . 21 ASN N N 115.60 0.1 1 235 . 21 ASN ND2 N 109.73 0.1 1 236 . 22 THR H H 7.33 0.02 1 237 . 22 THR HA H 4.25 0.02 1 238 . 22 THR HB H 4.07 0.02 1 239 . 22 THR HG2 H 1.31 0.02 1 240 . 22 THR C C 177.48 0.2 1 241 . 22 THR CA C 63.92 0.2 1 242 . 22 THR CB C 68.19 0.2 1 243 . 22 THR CG2 C 21.42 0.2 1 244 . 22 THR N N 112.33 0.1 1 245 . 23 ILE H H 8.28 0.02 1 246 . 23 ILE HA H 3.85 0.02 1 247 . 23 ILE HB H 1.50 0.02 1 248 . 23 ILE HG12 H 1.30 0.02 2 249 . 23 ILE HG13 H 1.12 0.02 2 250 . 23 ILE HG2 H 0.54 0.02 1 251 . 23 ILE HD1 H 0.17 0.02 1 252 . 23 ILE C C 175.37 0.2 1 253 . 23 ILE CA C 64.29 0.2 1 254 . 23 ILE CB C 37.03 0.2 1 255 . 23 ILE CG1 C 28.90 0.2 1 256 . 23 ILE CG2 C 17.65 0.2 1 257 . 23 ILE CD1 C 12.65 0.2 1 258 . 23 ILE N N 124.52 0.1 1 259 . 24 MET H H 6.88 0.02 1 260 . 24 MET HA H 4.54 0.02 1 261 . 24 MET HB2 H 1.29 0.02 2 262 . 24 MET HB3 H 0.43 0.02 2 263 . 24 MET HG2 H 2.06 0.02 2 264 . 24 MET HG3 H 1.66 0.02 2 265 . 24 MET C C 177.82 0.2 1 266 . 24 MET CA C 52.57 0.2 1 267 . 24 MET CB C 29.51 0.2 1 268 . 24 MET CG C 29.52 0.2 1 269 . 24 MET N N 112.52 0.1 1 270 . 25 ASP H H 7.19 0.02 1 271 . 25 ASP HA H 4.96 0.02 1 272 . 25 ASP HB2 H 3.03 0.02 2 273 . 25 ASP HB3 H 2.62 0.02 2 274 . 25 ASP C C 175.22 0.2 1 275 . 25 ASP CA C 51.76 0.2 1 276 . 25 ASP CB C 38.08 0.2 1 277 . 25 ASP N N 120.44 0.1 1 278 . 26 LYS H H 8.12 0.02 1 279 . 26 LYS HA H 4.54 0.02 1 280 . 26 LYS HB2 H 1.91 0.02 2 281 . 26 LYS HB3 H 1.61 0.02 2 282 . 26 LYS HG2 H 1.62 0.02 2 283 . 26 LYS HG3 H 1.43 0.02 2 284 . 26 LYS HD2 H 1.68 0.02 1 285 . 26 LYS HD3 H 1.68 0.02 1 286 . 26 LYS HE2 H 3.11 0.02 2 287 . 26 LYS HE3 H 3.07 0.02 2 288 . 26 LYS C C 176.85 0.2 1 289 . 26 LYS CA C 54.84 0.2 1 290 . 26 LYS CB C 37.63 0.2 1 291 . 26 LYS CG C 25.13 0.2 1 292 . 26 LYS CD C 29.51 0.2 1 293 . 26 LYS CE C 42.01 0.2 1 294 . 26 LYS N N 118.93 0.1 1 295 . 27 ALA H H 8.60 0.02 1 296 . 27 ALA HA H 3.94 0.02 1 297 . 27 ALA HB H 1.41 0.02 1 298 . 27 ALA C C 179.57 0.2 1 299 . 27 ALA CA C 54.56 0.2 1 300 . 27 ALA CB C 17.66 0.2 1 301 . 27 ALA N N 124.18 0.1 1 302 . 28 ILE H H 7.10 0.02 1 303 . 28 ILE HA H 3.98 0.02 1 304 . 28 ILE HB H 1.52 0.02 1 305 . 28 ILE HG12 H 0.54 0.02 2 306 . 28 ILE HG13 H 0.26 0.02 2 307 . 28 ILE HG2 H 0.43 0.02 1 308 . 28 ILE HD1 H 0.45 0.02 1 309 . 28 ILE C C 175.75 0.2 1 310 . 28 ILE CA C 62.42 0.2 1 311 . 28 ILE CB C 37.23 0.2 1 312 . 28 ILE CG1 C 25.36 0.2 1 313 . 28 ILE CG2 C 15.98 0.2 1 314 . 28 ILE CD1 C 13.48 0.2 1 315 . 28 ILE N N 109.22 0.1 1 316 . 29 TYR H H 7.51 0.02 1 317 . 29 TYR HA H 4.78 0.02 1 318 . 29 TYR HB2 H 3.43 0.02 2 319 . 29 TYR HB3 H 3.07 0.02 2 320 . 29 TYR HD1 H 6.99 0.02 2 321 . 29 TYR HE1 H 6.60 0.02 1 322 . 29 TYR C C 172.95 0.2 1 323 . 29 TYR CA C 55.57 0.2 1 324 . 29 TYR CB C 37.67 0.2 1 325 . 29 TYR CD1 C 131.47 0.2 1 326 . 29 TYR CE1 C 117.38 0.2 1 327 . 29 TYR N N 118.84 0.1 1 328 . 30 ILE H H 7.43 0.02 1 329 . 30 ILE HA H 4.37 0.02 1 330 . 30 ILE HB H 2.11 0.02 1 331 . 30 ILE HG12 H 1.57 0.02 2 332 . 30 ILE HG13 H 1.35 0.02 2 333 . 30 ILE HG2 H 0.64 0.02 1 334 . 30 ILE HD1 H 0.72 0.02 1 335 . 30 ILE C C 175.77 0.2 1 336 . 30 ILE CA C 58.50 0.2 1 337 . 30 ILE CB C 34.69 0.2 1 338 . 30 ILE CG1 C 25.32 0.2 1 339 . 30 ILE CG2 C 15.94 0.2 1 340 . 30 ILE CD1 C 9.07 0.2 1 341 . 30 ILE N N 121.14 0.1 1 342 . 31 VAL H H 8.55 0.02 1 343 . 31 VAL HA H 4.35 0.02 1 344 . 31 VAL HB H 1.99 0.02 1 345 . 31 VAL HG1 H 0.97 0.02 1 346 . 31 VAL HG2 H 0.97 0.02 1 347 . 31 VAL C C 177.33 0.2 1 348 . 31 VAL CA C 60.61 0.2 1 349 . 31 VAL CB C 33.58 0.2 1 350 . 31 VAL CG1 C 20.12 0.2 1 351 . 31 VAL CG2 C 20.12 0.2 1 352 . 31 VAL N N 127.67 0.1 1 353 . 32 GLY H H 9.35 0.02 1 354 . 32 GLY HA2 H 3.89 0.02 1 355 . 32 GLY HA3 H 3.89 0.02 1 356 . 32 GLY C C 175.87 0.2 1 357 . 32 GLY CA C 46.25 0.2 1 358 . 32 GLY N N 119.65 0.1 1 359 . 33 GLY H H 8.32 0.02 1 360 . 33 GLY HA2 H 3.51 0.02 1 361 . 33 GLY HA3 H 4.17 0.02 1 362 . 33 GLY C C 173.56 0.2 1 363 . 33 GLY CA C 44.25 0.2 1 364 . 33 GLY N N 103.61 0.1 1 365 . 34 LYS H H 7.55 0.02 1 366 . 34 LYS HA H 4.79 0.02 1 367 . 34 LYS HB2 H 1.75 0.02 1 368 . 34 LYS HB3 H 1.75 0.02 1 369 . 34 LYS HG2 H 1.38 0.02 1 370 . 34 LYS HG3 H 1.38 0.02 1 371 . 34 LYS HD2 H 1.67 0.02 2 372 . 34 LYS HD3 H 1.62 0.02 2 373 . 34 LYS HE2 H 2.99 0.02 1 374 . 34 LYS HE3 H 2.99 0.02 1 375 . 34 LYS C C 175.05 0.2 1 376 . 34 LYS CA C 53.32 0.2 1 377 . 34 LYS CB C 34.79 0.2 1 378 . 34 LYS CG C 23.54 0.2 1 379 . 34 LYS CD C 28.54 0.2 1 380 . 34 LYS CE C 41.67 0.2 1 381 . 34 LYS N N 118.73 0.1 1 382 . 35 CYS H H 8.60 0.02 1 383 . 35 CYS HA H 4.58 0.02 1 384 . 35 CYS HB2 H 3.02 0.02 1 385 . 35 CYS HB3 H 3.02 0.02 1 386 . 35 CYS C C 175.14 0.2 1 387 . 35 CYS CA C 54.99 0.2 1 388 . 35 CYS CB C 45.78 0.2 1 389 . 35 CYS N N 122.18 0.1 1 390 . 36 LYS H H 8.35 0.02 1 391 . 36 LYS HA H 4.19 0.02 1 392 . 36 LYS HB2 H 2.31 0.02 2 393 . 36 LYS HB3 H 1.62 0.02 2 394 . 36 LYS HG2 H 1.79 0.02 2 395 . 36 LYS HG3 H 1.50 0.02 2 396 . 36 LYS HD2 H 1.98 0.02 2 397 . 36 LYS HD3 H 1.64 0.02 2 398 . 36 LYS HE2 H 3.41 0.02 2 399 . 36 LYS HE3 H 3.31 0.02 2 400 . 36 LYS C C 177.04 0.2 1 401 . 36 LYS CA C 56.46 0.2 1 402 . 36 LYS CB C 32.73 0.2 1 403 . 36 LYS CG C 23.98 0.2 1 404 . 36 LYS CD C 30.23 0.2 1 405 . 36 LYS CE C 40.86 0.2 1 406 . 36 LYS N N 124.11 0.1 1 407 . 37 GLU H H 8.96 0.02 1 408 . 37 GLU HA H 3.60 0.02 1 409 . 37 GLU HB2 H 2.29 0.02 2 410 . 37 GLU HB3 H 1.96 0.02 2 411 . 37 GLU HG2 H 2.47 0.02 2 412 . 37 GLU HG3 H 2.30 0.02 2 413 . 37 GLU C C 174.65 0.2 1 414 . 37 GLU CA C 60.00 0.2 1 415 . 37 GLU CB C 28.42 0.2 1 416 . 37 GLU CG C 35.28 0.2 1 417 . 37 GLU N N 125.69 0.1 1 418 . 38 ARG H H 7.49 0.02 1 419 . 38 ARG HA H 5.47 0.02 1 420 . 38 ARG HB2 H 2.22 0.02 2 421 . 38 ARG HB3 H 1.33 0.02 2 422 . 38 ARG HG2 H 1.60 0.02 2 423 . 38 ARG HG3 H 1.27 0.02 2 424 . 38 ARG HD2 H 3.26 0.02 2 425 . 38 ARG HD3 H 2.89 0.02 2 426 . 38 ARG HE H 8.57 0.02 1 427 . 38 ARG C C 175.07 0.2 1 428 . 38 ARG CA C 53.94 0.2 1 429 . 38 ARG CB C 32.05 0.2 1 430 . 38 ARG CG C 23.30 0.2 1 431 . 38 ARG CD C 42.68 0.2 1 432 . 38 ARG N N 107.85 0.1 1 433 . 38 ARG NE N 85.51 0.1 1 434 . 39 ASN H H 8.01 0.02 1 435 . 39 ASN HA H 4.70 0.02 1 436 . 39 ASN HB2 H 2.06 0.02 2 437 . 39 ASN HB3 H 1.84 0.02 2 438 . 39 ASN HD21 H 5.41 0.02 1 439 . 39 ASN HD22 H 3.88 0.02 1 440 . 39 ASN C C 173.02 0.2 1 441 . 39 ASN CA C 53.47 0.2 1 442 . 39 ASN CB C 43.47 0.2 1 443 . 39 ASN N N 113.70 0.1 1 444 . 39 ASN ND2 N 111.57 0.1 1 445 . 40 THR H H 8.71 0.02 1 446 . 40 THR HA H 4.25 0.02 1 447 . 40 THR HB H 2.54 0.02 1 448 . 40 THR HG2 H 0.75 0.02 1 449 . 40 THR C C 172.12 0.2 1 450 . 40 THR CA C 63.26 0.2 1 451 . 40 THR CB C 68.45 0.2 1 452 . 40 THR CG2 C 23.26 0.2 1 453 . 40 THR N N 124.84 0.1 1 454 . 41 PHE H H 9.18 0.02 1 455 . 41 PHE HA H 4.75 0.02 1 456 . 41 PHE HB2 H 3.07 0.02 2 457 . 41 PHE HB3 H 2.58 0.02 2 458 . 41 PHE HD1 H 7.07 0.02 2 459 . 41 PHE HE1 H 7.00 0.02 1 460 . 41 PHE HZ H 6.77 0.02 1 461 . 41 PHE C C 173.44 0.2 1 462 . 41 PHE CA C 57.19 0.2 1 463 . 41 PHE CB C 39.17 0.2 1 464 . 41 PHE CD1 C 131.21 0.2 1 465 . 41 PHE CE1 C 129.26 0.2 1 466 . 41 PHE CZ C 127.11 0.2 1 467 . 41 PHE N N 128.97 0.1 1 468 . 42 ILE H H 9.25 0.02 1 469 . 42 ILE HA H 4.23 0.02 1 470 . 42 ILE HB H 1.60 0.02 1 471 . 42 ILE HG12 H 1.36 0.02 1 472 . 42 ILE HG13 H 1.36 0.02 1 473 . 42 ILE HG2 H 0.62 0.02 1 474 . 42 ILE HD1 H 0.52 0.02 1 475 . 42 ILE C C 174.58 0.2 1 476 . 42 ILE CA C 59.64 0.2 1 477 . 42 ILE CB C 39.23 0.2 1 478 . 42 ILE CG1 C 26.10 0.2 1 479 . 42 ILE CG2 C 17.97 0.2 1 480 . 42 ILE CD1 C 14.85 0.2 1 481 . 42 ILE N N 123.76 0.1 1 482 . 43 ILE H H 8.70 0.02 1 483 . 43 ILE HA H 4.86 0.02 1 484 . 43 ILE HB H 1.86 0.02 1 485 . 43 ILE HG12 H 1.25 0.02 2 486 . 43 ILE HG13 H 1.00 0.02 2 487 . 43 ILE HG2 H 0.67 0.02 1 488 . 43 ILE HD1 H 0.69 0.02 1 489 . 43 ILE C C 175.68 0.2 1 490 . 43 ILE CA C 59.08 0.2 1 491 . 43 ILE CB C 34.33 0.2 1 492 . 43 ILE CG1 C 26.39 0.2 1 493 . 43 ILE CG2 C 17.64 0.2 1 494 . 43 ILE CD1 C 13.27 0.2 1 495 . 43 ILE N N 129.05 0.1 1 496 . 44 SER H H 8.02 0.02 1 497 . 44 SER HA H 4.66 0.02 1 498 . 44 SER HB2 H 4.16 0.02 2 499 . 44 SER HB3 H 3.23 0.02 2 500 . 44 SER C C 173.37 0.2 1 501 . 44 SER CA C 56.14 0.2 1 502 . 44 SER CB C 64.80 0.2 1 503 . 44 SER N N 119.03 0.1 1 504 . 45 SER H H 8.39 0.02 1 505 . 45 SER HA H 4.65 0.02 1 506 . 45 SER HB2 H 4.30 0.02 2 507 . 45 SER HB3 H 4.09 0.02 2 508 . 45 SER C C 177.25 0.2 1 509 . 45 SER CA C 57.36 0.2 1 510 . 45 SER CB C 63.32 0.2 1 511 . 45 SER N N 116.89 0.1 1 512 . 46 GLU H H 9.39 0.02 1 513 . 46 GLU HA H 4.20 0.02 1 514 . 46 GLU HB2 H 2.41 0.02 2 515 . 46 GLU HB3 H 2.33 0.02 2 516 . 46 GLU HG2 H 2.49 0.02 2 517 . 46 GLU HG3 H 2.48 0.02 2 518 . 46 GLU C C 178.37 0.2 1 519 . 46 GLU CA C 59.53 0.2 1 520 . 46 GLU CB C 28.89 0.2 1 521 . 46 GLU CG C 35.14 0.2 1 522 . 46 GLU N N 123.49 0.1 1 523 . 47 ASP H H 8.70 0.02 1 524 . 47 ASP HA H 4.35 0.02 1 525 . 47 ASP HB2 H 2.71 0.02 2 526 . 47 ASP HB3 H 2.59 0.02 2 527 . 47 ASP C C 178.52 0.2 1 528 . 47 ASP CA C 57.01 0.2 1 529 . 47 ASP CB C 38.97 0.2 1 530 . 47 ASP N N 119.09 0.1 1 531 . 48 ASN H H 7.73 0.02 1 532 . 48 ASN HA H 4.56 0.02 1 533 . 48 ASN HB2 H 2.97 0.02 2 534 . 48 ASN HB3 H 2.95 0.02 2 535 . 48 ASN HD21 H 7.41 0.02 1 536 . 48 ASN HD22 H 6.96 0.02 1 537 . 48 ASN C C 176.72 0.2 1 538 . 48 ASN CA C 54.99 0.2 1 539 . 48 ASN CB C 37.54 0.2 1 540 . 48 ASN N N 117.24 0.1 1 541 . 48 ASN ND2 N 111.48 0.1 1 542 . 49 VAL H H 7.39 0.02 1 543 . 49 VAL HA H 3.89 0.02 1 544 . 49 VAL HB H 2.37 0.02 1 545 . 49 VAL HG1 H 1.09 0.02 1 546 . 49 VAL HG2 H 0.99 0.02 2 547 . 49 VAL C C 177.28 0.2 1 548 . 49 VAL CA C 64.28 0.2 1 549 . 49 VAL CB C 31.41 0.2 1 550 . 49 VAL CG1 C 22.18 0.2 1 551 . 49 VAL CG2 C 22.18 0.2 1 552 . 49 VAL N N 118.05 0.1 1 553 . 50 LYS H H 8.46 0.02 1 554 . 50 LYS HA H 3.11 0.02 1 555 . 50 LYS HB2 H 1.63 0.02 2 556 . 50 LYS HB3 H 1.54 0.02 2 557 . 50 LYS HG2 H 0.71 0.02 2 558 . 50 LYS HG3 H 0.66 0.02 2 559 . 50 LYS HD2 H 1.32 0.02 2 560 . 50 LYS HD3 H 1.28 0.02 2 561 . 50 LYS HE2 H 2.60 0.02 2 562 . 50 LYS HE3 H 2.48 0.02 2 563 . 50 LYS C C 178.42 0.2 1 564 . 50 LYS CA C 59.23 0.2 1 565 . 50 LYS CB C 31.72 0.2 1 566 . 50 LYS CG C 24.22 0.2 1 567 . 50 LYS CD C 28.59 0.2 1 568 . 50 LYS CE C 41.10 0.2 1 569 . 50 LYS N N 119.77 0.1 1 570 . 51 ALA H H 7.38 0.02 1 571 . 51 ALA HA H 4.10 0.02 1 572 . 51 ALA HB H 1.51 0.02 1 573 . 51 ALA C C 179.06 0.2 1 574 . 51 ALA CA C 53.30 0.2 1 575 . 51 ALA CB C 18.00 0.2 1 576 . 51 ALA N N 116.21 0.1 1 577 . 52 ILE H H 7.66 0.02 1 578 . 52 ILE HA H 3.75 0.02 1 579 . 52 ILE HB H 1.61 0.02 1 580 . 52 ILE HG12 H 2.14 0.02 2 581 . 52 ILE HG13 H 1.20 0.02 2 582 . 52 ILE HG2 H 0.74 0.02 1 583 . 52 ILE HD1 H 0.94 0.02 1 584 . 52 ILE C C 177.18 0.2 1 585 . 52 ILE CA C 64.20 0.2 1 586 . 52 ILE CB C 38.29 0.2 1 587 . 52 ILE CG1 C 27.04 0.2 1 588 . 52 ILE CG2 C 16.42 0.2 1 589 . 52 ILE CD1 C 14.60 0.2 1 590 . 52 ILE N N 118.33 0.1 1 591 . 53 CYS H H 6.94 0.02 1 592 . 53 CYS HA H 4.96 0.02 1 593 . 53 CYS HB2 H 2.73 0.02 2 594 . 53 CYS HB3 H 1.89 0.02 2 595 . 53 CYS C C 174.75 0.2 1 596 . 53 CYS CA C 52.41 0.2 1 597 . 53 CYS CB C 38.06 0.2 1 598 . 53 CYS N N 109.62 0.1 1 599 . 54 SER H H 7.33 0.02 1 600 . 54 SER HA H 4.10 0.02 1 601 . 54 SER HB2 H 3.87 0.02 2 602 . 54 SER HB3 H 3.83 0.02 2 603 . 54 SER C C 175.97 0.2 1 604 . 54 SER CA C 59.80 0.2 1 605 . 54 SER CB C 62.05 0.2 1 606 . 54 SER N N 116.79 0.1 1 607 . 55 GLY H H 8.77 0.02 1 608 . 55 GLY HA2 H 3.92 0.02 1 609 . 55 GLY HA3 H 3.73 0.02 1 610 . 55 GLY C C 174.19 0.2 1 611 . 55 GLY CA C 44.99 0.2 1 612 . 55 GLY N N 113.84 0.1 1 613 . 56 VAL H H 7.41 0.02 1 614 . 56 VAL HA H 3.69 0.02 1 615 . 56 VAL HB H 1.96 0.02 1 616 . 56 VAL HG1 H 0.81 0.02 1 617 . 56 VAL HG2 H 0.71 0.02 2 618 . 56 VAL C C 174.54 0.2 1 619 . 56 VAL CA C 62.97 0.2 1 620 . 56 VAL CB C 29.73 0.2 1 621 . 56 VAL CG1 C 20.98 0.2 1 622 . 56 VAL CG2 C 20.98 0.2 1 623 . 56 VAL N N 121.51 0.1 1 624 . 57 SER H H 7.85 0.02 1 625 . 57 SER HA H 4.34 0.02 1 626 . 57 SER HB2 H 3.57 0.02 1 627 . 57 SER HB3 H 3.57 0.02 1 628 . 57 SER C C 173.30 0.2 1 629 . 57 SER CA C 55.53 0.2 1 630 . 57 SER CB C 64.20 0.2 1 631 . 57 SER N N 124.67 0.1 1 632 . 58 PRO HA H 4.74 0.02 1 633 . 58 PRO HB2 H 2.46 0.02 2 634 . 58 PRO HB3 H 2.21 0.02 2 635 . 58 PRO HG2 H 1.93 0.02 2 636 . 58 PRO HG3 H 1.74 0.02 2 637 . 58 PRO HD2 H 3.57 0.02 2 638 . 58 PRO HD3 H 3.49 0.02 2 639 . 58 PRO C C 174.73 0.2 1 640 . 58 PRO CA C 62.07 0.2 1 641 . 58 PRO CB C 33.90 0.2 1 642 . 58 PRO CG C 23.90 0.2 1 643 . 58 PRO CD C 49.56 0.2 1 644 . 59 ASP H H 8.08 0.02 1 645 . 59 ASP HA H 4.15 0.02 1 646 . 59 ASP HB2 H 3.10 0.02 2 647 . 59 ASP HB3 H 2.56 0.02 2 648 . 59 ASP C C 175.60 0.2 1 649 . 59 ASP CA C 55.56 0.2 1 650 . 59 ASP CB C 40.43 0.2 1 651 . 59 ASP N N 118.35 0.1 1 652 . 60 ARG H H 7.38 0.02 1 653 . 60 ARG HA H 4.54 0.02 1 654 . 60 ARG HB2 H 1.70 0.02 2 655 . 60 ARG HB3 H 1.64 0.02 2 656 . 60 ARG HG2 H 1.90 0.02 2 657 . 60 ARG HG3 H 1.61 0.02 2 658 . 60 ARG HD2 H 3.12 0.02 2 659 . 60 ARG HD3 H 3.08 0.02 2 660 . 60 ARG HE H 7.20 0.02 1 661 . 60 ARG C C 175.45 0.2 1 662 . 60 ARG CA C 54.55 0.2 1 663 . 60 ARG CB C 30.25 0.2 1 664 . 60 ARG CG C 37.83 0.2 1 665 . 60 ARG CD C 42.01 0.2 1 666 . 60 ARG N N 114.33 0.1 1 667 . 60 ARG NE N 87.03 0.1 1 668 . 61 LYS H H 8.36 0.02 1 669 . 61 LYS HA H 4.90 0.02 1 670 . 61 LYS HB2 H 1.72 0.02 2 671 . 61 LYS HB3 H 1.58 0.02 2 672 . 61 LYS HG2 H 1.56 0.02 2 673 . 61 LYS HG3 H 1.17 0.02 2 674 . 61 LYS HD2 H 1.73 0.02 2 675 . 61 LYS HD3 H 1.59 0.02 2 676 . 61 LYS HE2 H 2.95 0.02 2 677 . 61 LYS HE3 H 2.92 0.02 2 678 . 61 LYS C C 174.90 0.2 1 679 . 61 LYS CA C 56.44 0.2 1 680 . 61 LYS CB C 32.15 0.2 1 681 . 61 LYS CG C 25.27 0.2 1 682 . 61 LYS CD C 29.65 0.2 1 683 . 61 LYS CE C 40.90 0.2 1 684 . 61 LYS N N 119.85 0.1 1 685 . 62 GLU H H 9.22 0.02 1 686 . 62 GLU HA H 4.73 0.02 1 687 . 62 GLU HB2 H 1.73 0.02 2 688 . 62 GLU HB3 H 1.70 0.02 2 689 . 62 GLU HG2 H 2.39 0.02 2 690 . 62 GLU HG3 H 2.05 0.02 2 691 . 62 GLU C C 172.78 0.2 1 692 . 62 GLU CA C 53.82 0.2 1 693 . 62 GLU CB C 33.59 0.2 1 694 . 62 GLU CG C 32.08 0.2 1 695 . 62 GLU N N 125.55 0.1 1 696 . 63 LEU H H 8.23 0.02 1 697 . 63 LEU HA H 4.76 0.02 1 698 . 63 LEU HB2 H 1.79 0.02 2 699 . 63 LEU HB3 H 1.39 0.02 2 700 . 63 LEU HG H 1.80 0.02 1 701 . 63 LEU HD1 H 0.84 0.02 2 702 . 63 LEU HD2 H 0.45 0.02 2 703 . 63 LEU C C 176.77 0.2 1 704 . 63 LEU CA C 52.32 0.2 1 705 . 63 LEU CB C 42.36 0.2 1 706 . 63 LEU CG C 25.32 0.2 1 707 . 63 LEU CD1 C 25.55 0.2 1 708 . 63 LEU CD2 C 22.36 0.2 1 709 . 63 LEU N N 128.94 0.1 1 710 . 64 SER H H 9.46 0.02 1 711 . 64 SER HA H 4.44 0.02 1 712 . 64 SER HB2 H 4.81 0.02 2 713 . 64 SER HB3 H 4.19 0.02 2 714 . 64 SER C C 173.25 0.2 1 715 . 64 SER CA C 58.56 0.2 1 716 . 64 SER CB C 64.23 0.2 1 717 . 64 SER N N 123.64 0.1 1 718 . 65 THR H H 8.81 0.02 1 719 . 65 THR HA H 4.27 0.02 1 720 . 65 THR HB H 4.30 0.02 1 721 . 65 THR HG2 H 1.31 0.02 1 722 . 65 THR C C 175.68 0.2 1 723 . 65 THR CA C 62.67 0.2 1 724 . 65 THR CB C 68.34 0.2 1 725 . 65 THR CG2 C 22.04 0.2 1 726 . 65 THR N N 112.31 0.1 1 727 . 66 THR H H 7.46 0.02 1 728 . 66 THR HA H 4.37 0.02 1 729 . 66 THR HB H 3.93 0.02 1 730 . 66 THR HG2 H 1.41 0.02 1 731 . 66 THR C C 172.90 0.2 1 732 . 66 THR CA C 59.12 0.2 1 733 . 66 THR CB C 69.96 0.2 1 734 . 66 THR CG2 C 20.93 0.2 1 735 . 66 THR N N 112.15 0.1 1 736 . 67 SER H H 8.28 0.02 1 737 . 67 SER HA H 4.21 0.02 1 738 . 67 SER HB2 H 3.54 0.02 1 739 . 67 SER HB3 H 3.54 0.02 1 740 . 67 SER C C 172.93 0.2 1 741 . 67 SER CA C 57.01 0.2 1 742 . 67 SER CB C 63.46 0.2 1 743 . 67 SER N N 117.11 0.1 1 744 . 68 PHE H H 8.55 0.02 1 745 . 68 PHE HA H 4.52 0.02 1 746 . 68 PHE HB2 H 3.02 0.02 2 747 . 68 PHE HB3 H 2.65 0.02 2 748 . 68 PHE HD1 H 7.32 0.02 2 749 . 68 PHE HE1 H 7.27 0.02 1 750 . 68 PHE HZ H 7.42 0.02 1 751 . 68 PHE C C 174.29 0.2 1 752 . 68 PHE CA C 56.78 0.2 1 753 . 68 PHE CB C 42.88 0.2 1 754 . 68 PHE CD1 C 131.24 0.2 1 755 . 68 PHE CE1 C 128.55 0.2 1 756 . 68 PHE CZ C 130.69 0.2 1 757 . 68 PHE N N 122.68 0.1 1 758 . 69 LYS H H 9.01 0.02 1 759 . 69 LYS HA H 4.46 0.02 1 760 . 69 LYS HB2 H 1.99 0.02 1 761 . 69 LYS HB3 H 1.99 0.02 1 762 . 69 LYS HG2 H 1.67 0.02 2 763 . 69 LYS HG3 H 1.53 0.02 2 764 . 69 LYS HD2 H 1.76 0.02 1 765 . 69 LYS HD3 H 1.76 0.02 1 766 . 69 LYS HE2 H 3.05 0.02 1 767 . 69 LYS HE3 H 3.05 0.02 1 768 . 69 LYS C C 174.95 0.2 1 769 . 69 LYS CA C 56.95 0.2 1 770 . 69 LYS CB C 32.00 0.2 1 771 . 69 LYS CG C 24.50 0.2 1 772 . 69 LYS CD C 28.25 0.2 1 773 . 69 LYS CE C 41.37 0.2 1 774 . 69 LYS N N 121.71 0.1 1 775 . 70 LEU H H 8.56 0.02 1 776 . 70 LEU HA H 5.55 0.02 1 777 . 70 LEU HB2 H 1.51 0.02 2 778 . 70 LEU HB3 H 1.28 0.02 2 779 . 70 LEU HG H 1.95 0.02 1 780 . 70 LEU HD1 H 0.79 0.02 1 781 . 70 LEU HD2 H 0.79 0.02 1 782 . 70 LEU C C 178.55 0.2 1 783 . 70 LEU CA C 52.05 0.2 1 784 . 70 LEU CB C 46.43 0.2 1 785 . 70 LEU CG C 25.12 0.2 1 786 . 70 LEU CD1 C 26.26 0.2 1 787 . 70 LEU CD2 C 24.43 0.2 1 788 . 70 LEU N N 123.07 0.1 1 789 . 71 ASN H H 8.92 0.02 1 790 . 71 ASN HA H 4.83 0.02 1 791 . 71 ASN HB2 H 2.67 0.02 2 792 . 71 ASN HB3 H 2.58 0.02 2 793 . 71 ASN HD21 H 6.67 0.02 1 794 . 71 ASN HD22 H 6.00 0.02 1 795 . 71 ASN C C 175.01 0.2 1 796 . 71 ASN CA C 53.39 0.2 1 797 . 71 ASN CB C 40.17 0.2 1 798 . 71 ASN N N 118.80 0.1 1 799 . 71 ASN ND2 N 104.46 0.1 1 800 . 72 THR H H 8.15 0.02 1 801 . 72 THR HA H 5.02 0.02 1 802 . 72 THR HB H 4.02 0.02 1 803 . 72 THR HG2 H 0.92 0.02 1 804 . 72 THR C C 172.83 0.2 1 805 . 72 THR CA C 61.02 0.2 1 806 . 72 THR CB C 68.43 0.2 1 807 . 72 THR CG2 C 20.40 0.2 1 808 . 72 THR N N 125.44 0.1 1 809 . 73 CYS H H 8.17 0.02 1 810 . 73 CYS HA H 5.04 0.02 1 811 . 73 CYS HB2 H 2.75 0.02 2 812 . 73 CYS HB3 H 2.40 0.02 2 813 . 73 CYS C C 174.12 0.2 1 814 . 73 CYS CA C 52.68 0.2 1 815 . 73 CYS CB C 36.98 0.2 1 816 . 73 CYS N N 124.27 0.1 1 817 . 74 ILE H H 9.12 0.02 1 818 . 74 ILE HA H 4.28 0.02 1 819 . 74 ILE HB H 0.59 0.02 1 820 . 74 ILE HG12 H 1.45 0.02 2 821 . 74 ILE HG13 H 0.66 0.02 2 822 . 74 ILE HG2 H 0.86 0.02 1 823 . 74 ILE HD1 H 0.83 0.02 1 824 . 74 ILE C C 174.27 0.2 1 825 . 74 ILE CA C 60.48 0.2 1 826 . 74 ILE CB C 38.92 0.2 1 827 . 74 ILE CG1 C 27.04 0.2 1 828 . 74 ILE CG2 C 16.42 0.2 1 829 . 74 ILE CD1 C 13.29 0.2 1 830 . 74 ILE N N 125.81 0.1 1 831 . 75 ARG H H 8.89 0.02 1 832 . 75 ARG HA H 3.20 0.02 1 833 . 75 ARG HB2 H 1.75 0.02 2 834 . 75 ARG HB3 H 1.72 0.02 2 835 . 75 ARG HG2 H 1.04 0.02 2 836 . 75 ARG HG3 H 1.02 0.02 2 837 . 75 ARG HD2 H 3.04 0.02 2 838 . 75 ARG HD3 H 2.68 0.02 2 839 . 75 ARG HE H 7.27 0.02 1 840 . 75 ARG C C 176.77 0.2 1 841 . 75 ARG CA C 56.15 0.2 1 842 . 75 ARG CB C 31.63 0.2 1 843 . 75 ARG CG C 25.38 0.2 1 844 . 75 ARG CD C 44.76 0.2 1 845 . 75 ARG N N 129.78 0.1 1 846 . 75 ARG NE N 84.99 0.1 1 847 . 76 ASP H H 9.31 0.02 1 848 . 76 ASP HA H 4.76 0.02 1 849 . 76 ASP HB2 H 2.65 0.02 2 850 . 76 ASP HB3 H 2.24 0.02 2 851 . 76 ASP C C 176.53 0.2 1 852 . 76 ASP CA C 55.48 0.2 1 853 . 76 ASP CB C 41.15 0.2 1 854 . 76 ASP N N 127.82 0.1 1 855 . 77 SER H H 7.05 0.02 1 856 . 77 SER HA H 4.37 0.02 1 857 . 77 SER HB2 H 3.61 0.02 1 858 . 77 SER HB3 H 3.61 0.02 1 859 . 77 SER C C 171.31 0.2 1 860 . 77 SER CA C 56.74 0.2 1 861 . 77 SER CB C 64.22 0.2 1 862 . 77 SER N N 111.57 0.1 1 863 . 78 ILE H H 8.16 0.02 1 864 . 78 ILE HA H 3.99 0.02 1 865 . 78 ILE HB H 1.71 0.02 1 866 . 78 ILE HG12 H 1.56 0.02 2 867 . 78 ILE HG13 H 0.70 0.02 2 868 . 78 ILE HG2 H 0.86 0.02 1 869 . 78 ILE HD1 H 0.88 0.02 1 870 . 78 ILE C C 174.85 0.2 1 871 . 78 ILE CA C 61.61 0.2 1 872 . 78 ILE CB C 36.99 0.2 1 873 . 78 ILE CG1 C 26.99 0.2 1 874 . 78 ILE CG2 C 16.99 0.2 1 875 . 78 ILE CD1 C 13.24 0.2 1 876 . 78 ILE N N 119.97 0.1 1 877 . 79 THR H H 7.66 0.02 1 878 . 79 THR HA H 4.37 0.02 1 879 . 79 THR HB H 3.93 0.02 1 880 . 79 THR HG2 H 0.89 0.02 1 881 . 79 THR C C 171.56 0.2 1 882 . 79 THR CA C 59.23 0.2 1 883 . 79 THR CB C 68.51 0.2 1 884 . 79 THR CG2 C 19.75 0.2 1 885 . 79 THR N N 122.39 0.1 1 886 . 80 PRO HA H 4.46 0.02 1 887 . 80 PRO HB2 H 2.33 0.02 2 888 . 80 PRO HB3 H 1.70 0.02 2 889 . 80 PRO HG2 H 2.04 0.02 2 890 . 80 PRO HG3 H 1.90 0.02 2 891 . 80 PRO HD2 H 3.70 0.02 2 892 . 80 PRO HD3 H 3.57 0.02 2 893 . 80 PRO C C 177.15 0.2 1 894 . 80 PRO CA C 62.38 0.2 1 895 . 80 PRO CB C 30.38 0.2 1 896 . 80 PRO CG C 27.88 0.2 1 897 . 80 PRO CD C 49.88 0.2 1 898 . 81 ARG H H 8.47 0.02 1 899 . 81 ARG HA H 4.13 0.02 1 900 . 81 ARG HB2 H 1.92 0.02 2 901 . 81 ARG HB3 H 1.75 0.02 2 902 . 81 ARG HG2 H 1.91 0.02 2 903 . 81 ARG HG3 H 1.67 0.02 2 904 . 81 ARG HD2 H 3.13 0.02 1 905 . 81 ARG HD3 H 3.13 0.02 1 906 . 81 ARG HE H 7.95 0.02 1 907 . 81 ARG C C 174.58 0.2 1 908 . 81 ARG CA C 55.18 0.2 1 909 . 81 ARG CB C 29.59 0.2 1 910 . 81 ARG CG C 25.77 0.2 1 911 . 81 ARG CD C 43.64 0.2 1 912 . 81 ARG N N 124.43 0.1 1 913 . 81 ARG NE N 84.63 0.1 1 914 . 82 PRO HA H 4.67 0.02 1 915 . 82 PRO HB2 H 2.19 0.02 1 916 . 82 PRO HB3 H 2.19 0.02 1 917 . 82 PRO HG2 H 2.03 0.02 2 918 . 82 PRO HG3 H 1.90 0.02 2 919 . 82 PRO HD2 H 3.59 0.02 2 920 . 82 PRO HD3 H 3.46 0.02 2 921 . 82 PRO C C 175.43 0.2 1 922 . 82 PRO CA C 61.06 0.2 1 923 . 82 PRO CB C 33.34 0.2 1 924 . 82 PRO CG C 23.97 0.2 1 925 . 82 PRO CD C 49.81 0.2 1 926 . 83 CYS H H 8.91 0.02 1 927 . 83 CYS HA H 4.92 0.02 1 928 . 83 CYS HB2 H 3.34 0.02 2 929 . 83 CYS HB3 H 2.92 0.02 2 930 . 83 CYS C C 172.23 0.2 1 931 . 83 CYS CA C 52.67 0.2 1 932 . 83 CYS CB C 40.81 0.2 1 933 . 83 CYS N N 122.47 0.1 1 934 . 84 PRO HA H 4.88 0.02 1 935 . 84 PRO HB2 H 2.12 0.02 1 936 . 84 PRO HB3 H 2.12 0.02 1 937 . 84 PRO HG2 H 2.10 0.02 2 938 . 84 PRO HG3 H 2.04 0.02 2 939 . 84 PRO HD2 H 3.83 0.02 2 940 . 84 PRO HD3 H 3.73 0.02 2 941 . 84 PRO C C 176.02 0.2 1 942 . 84 PRO CA C 61.03 0.2 1 943 . 84 PRO CB C 30.58 0.2 1 944 . 84 PRO CG C 26.83 0.2 1 945 . 84 PRO CD C 49.16 0.2 1 946 . 85 TYR H H 9.07 0.02 1 947 . 85 TYR HA H 5.15 0.02 1 948 . 85 TYR HB2 H 2.39 0.02 2 949 . 85 TYR HB3 H 2.34 0.02 2 950 . 85 TYR HD1 H 7.25 0.02 2 951 . 85 TYR HD2 H 6.40 0.02 2 952 . 85 TYR HE1 H 6.80 0.02 1 953 . 85 TYR HE2 H 6.44 0.02 1 954 . 85 TYR C C 175.80 0.2 1 955 . 85 TYR CA C 56.46 0.2 1 956 . 85 TYR CB C 45.16 0.2 1 957 . 85 TYR CD1 C 134.34 0.2 1 958 . 85 TYR CD2 C 130.58 0.2 1 959 . 85 TYR CE1 C 119.32 0.2 1 960 . 85 TYR CE2 C 116.65 0.2 1 961 . 85 TYR N N 120.61 0.1 1 962 . 86 HIS H H 9.08 0.02 1 963 . 86 HIS HA H 5.39 0.02 1 964 . 86 HIS HB2 H 3.49 0.02 2 965 . 86 HIS HB3 H 3.37 0.02 2 966 . 86 HIS HD2 H 7.32 0.02 2 967 . 86 HIS HE1 H 8.51 0.02 1 968 . 86 HIS C C 171.27 0.2 1 969 . 86 HIS CA C 52.22 0.2 1 970 . 86 HIS CB C 29.30 0.2 1 971 . 86 HIS CD2 C 119.65 0.2 1 972 . 86 HIS CE1 C 134.90 0.2 1 973 . 86 HIS N N 115.28 0.1 1 974 . 87 PRO HA H 5.07 0.02 1 975 . 87 PRO HB2 H 2.37 0.02 2 976 . 87 PRO HB3 H 2.18 0.02 2 977 . 87 PRO HG2 H 2.22 0.02 2 978 . 87 PRO HG3 H 2.19 0.02 2 979 . 87 PRO HD2 H 4.00 0.02 2 980 . 87 PRO HD3 H 3.84 0.02 2 981 . 87 PRO C C 177.20 0.2 1 982 . 87 PRO CA C 62.08 0.2 1 983 . 87 PRO CB C 33.69 0.2 1 984 . 87 PRO CG C 26.19 0.2 1 985 . 87 PRO CD C 49.58 0.2 1 986 . 88 SER H H 8.07 0.02 1 987 . 88 SER HA H 4.91 0.02 1 988 . 88 SER HB2 H 4.18 0.02 2 989 . 88 SER HB3 H 3.66 0.02 2 990 . 88 SER C C 172.38 0.2 1 991 . 88 SER CA C 55.05 0.2 1 992 . 88 SER CB C 63.34 0.2 1 993 . 88 SER N N 113.22 0.1 1 994 . 89 PRO HA H 5.15 0.02 1 995 . 89 PRO HB2 H 2.44 0.02 2 996 . 89 PRO HB3 H 2.06 0.02 2 997 . 89 PRO HG2 H 2.15 0.02 2 998 . 89 PRO HG3 H 2.01 0.02 2 999 . 89 PRO HD2 H 3.91 0.02 2 1000 . 89 PRO HD3 H 3.58 0.02 2 1001 . 89 PRO C C 176.04 0.2 1 1002 . 89 PRO CA C 62.04 0.2 1 1003 . 89 PRO CB C 32.42 0.2 1 1004 . 89 PRO CG C 26.17 0.2 1 1005 . 89 PRO CD C 50.16 0.2 1 1006 . 90 ASP H H 8.68 0.02 1 1007 . 90 ASP HA H 4.86 0.02 1 1008 . 90 ASP HB2 H 2.77 0.02 2 1009 . 90 ASP HB3 H 2.46 0.02 2 1010 . 90 ASP C C 174.49 0.2 1 1011 . 90 ASP CA C 52.80 0.2 1 1012 . 90 ASP CB C 44.22 0.2 1 1013 . 90 ASP N N 119.42 0.1 1 1014 . 91 ASN H H 9.28 0.02 1 1015 . 91 ASN HA H 5.66 0.02 1 1016 . 91 ASN HB2 H 2.69 0.02 2 1017 . 91 ASN HB3 H 2.62 0.02 2 1018 . 91 ASN HD21 H 7.40 0.02 1 1019 . 91 ASN HD22 H 6.64 0.02 1 1020 . 91 ASN C C 174.18 0.2 1 1021 . 91 ASN CA C 52.19 0.2 1 1022 . 91 ASN CB C 39.72 0.2 1 1023 . 91 ASN N N 121.20 0.1 1 1024 . 91 ASN ND2 N 111.25 0.1 1 1025 . 92 ASN H H 9.01 0.02 1 1026 . 92 ASN HA H 4.84 0.02 1 1027 . 92 ASN HB2 H 2.82 0.02 2 1028 . 92 ASN HB3 H 2.44 0.02 2 1029 . 92 ASN HD21 H 8.03 0.02 1 1030 . 92 ASN HD22 H 7.19 0.02 1 1031 . 92 ASN C C 175.46 0.2 1 1032 . 92 ASN CA C 51.08 0.2 1 1033 . 92 ASN CB C 41.58 0.2 1 1034 . 92 ASN N N 122.27 0.1 1 1035 . 92 ASN ND2 N 113.45 0.1 1 1036 . 93 LYS H H 9.21 0.02 1 1037 . 93 LYS HA H 4.46 0.02 1 1038 . 93 LYS HB2 H 2.09 0.02 2 1039 . 93 LYS HB3 H 1.29 0.02 2 1040 . 93 LYS HG2 H 1.39 0.02 2 1041 . 93 LYS HG3 H 1.11 0.02 2 1042 . 93 LYS HD2 H 1.77 0.02 2 1043 . 93 LYS HD3 H 1.59 0.02 2 1044 . 93 LYS HE2 H 2.88 0.02 1 1045 . 93 LYS HE3 H 2.88 0.02 1 1046 . 93 LYS C C 176.77 0.2 1 1047 . 93 LYS CA C 56.10 0.2 1 1048 . 93 LYS CB C 34.22 0.2 1 1049 . 93 LYS CG C 24.85 0.2 1 1050 . 93 LYS CD C 28.60 0.2 1 1051 . 93 LYS CE C 41.72 0.2 1 1052 . 93 LYS N N 121.23 0.1 1 1053 . 94 ILE H H 8.67 0.02 1 1054 . 94 ILE HA H 4.90 0.02 1 1055 . 94 ILE HB H 1.63 0.02 1 1056 . 94 ILE HG12 H 1.40 0.02 2 1057 . 94 ILE HG13 H 1.13 0.02 2 1058 . 94 ILE HG2 H 1.04 0.02 1 1059 . 94 ILE HD1 H 0.37 0.02 1 1060 . 94 ILE C C 172.54 0.2 1 1061 . 94 ILE CA C 58.68 0.2 1 1062 . 94 ILE CB C 40.81 0.2 1 1063 . 94 ILE CG1 C 23.59 0.2 1 1064 . 94 ILE CG2 C 19.22 0.2 1 1065 . 94 ILE CD1 C 12.97 0.2 1 1066 . 94 ILE N N 110.86 0.1 1 1067 . 95 CYS H H 8.77 0.02 1 1068 . 95 CYS HA H 5.59 0.02 1 1069 . 95 CYS HB2 H 3.10 0.02 2 1070 . 95 CYS HB3 H 2.09 0.02 2 1071 . 95 CYS C C 174.18 0.2 1 1072 . 95 CYS CA C 53.94 0.2 1 1073 . 95 CYS CB C 47.46 0.2 1 1074 . 95 CYS N N 122.43 0.1 1 1075 . 96 VAL H H 8.72 0.02 1 1076 . 96 VAL HA H 4.91 0.02 1 1077 . 96 VAL HB H 1.92 0.02 1 1078 . 96 VAL HG1 H 0.74 0.02 1 1079 . 96 VAL HG2 H 0.68 0.02 2 1080 . 96 VAL C C 173.24 0.2 1 1081 . 96 VAL CA C 57.08 0.2 1 1082 . 96 VAL CB C 34.42 0.2 1 1083 . 96 VAL CG1 C 17.81 0.2 1 1084 . 96 VAL CG2 C 21.45 0.2 1 1085 . 96 VAL N N 120.09 0.1 1 1086 . 97 LYS H H 8.46 0.02 1 1087 . 97 LYS HA H 4.43 0.02 1 1088 . 97 LYS HB2 H 1.92 0.02 2 1089 . 97 LYS HB3 H 1.55 0.02 2 1090 . 97 LYS HG2 H 1.46 0.02 2 1091 . 97 LYS HG3 H 1.02 0.02 2 1092 . 97 LYS HD2 H 1.53 0.02 2 1093 . 97 LYS HD3 H 1.49 0.02 2 1094 . 97 LYS HE2 H 2.90 0.02 2 1095 . 97 LYS HE3 H 2.77 0.02 2 1096 . 97 LYS C C 174.56 0.2 1 1097 . 97 LYS CA C 54.56 0.2 1 1098 . 97 LYS CB C 33.03 0.2 1 1099 . 97 LYS CG C 23.94 0.2 1 1100 . 97 LYS CD C 27.69 0.2 1 1101 . 97 LYS CE C 40.81 0.2 1 1102 . 97 LYS N N 120.20 0.1 1 1103 . 98 CYS H H 8.31 0.02 1 1104 . 98 CYS HA H 5.22 0.02 1 1105 . 98 CYS HB2 H 3.05 0.02 2 1106 . 98 CYS HB3 H 2.85 0.02 2 1107 . 98 CYS C C 174.02 0.2 1 1108 . 98 CYS CA C 51.74 0.2 1 1109 . 98 CYS CB C 37.20 0.2 1 1110 . 98 CYS N N 127.55 0.1 1 1111 . 99 GLU H H 9.05 0.02 1 1112 . 99 GLU HA H 4.44 0.02 1 1113 . 99 GLU HB2 H 1.87 0.02 2 1114 . 99 GLU HB3 H 1.71 0.02 2 1115 . 99 GLU HG2 H 2.11 0.02 1 1116 . 99 GLU HG3 H 2.11 0.02 1 1117 . 99 GLU C C 176.22 0.2 1 1118 . 99 GLU CA C 53.91 0.2 1 1119 . 99 GLU CB C 32.36 0.2 1 1120 . 99 GLU CG C 36.41 0.2 1 1121 . 99 GLU N N 121.37 0.1 1 1122 . 100 LYS H H 9.73 0.02 1 1123 . 100 LYS HA H 3.71 0.02 1 1124 . 100 LYS HB2 H 1.95 0.02 2 1125 . 100 LYS HB3 H 1.84 0.02 2 1126 . 100 LYS HG2 H 1.46 0.02 1 1127 . 100 LYS HG3 H 1.46 0.02 1 1128 . 100 LYS HD2 H 1.74 0.02 2 1129 . 100 LYS HD3 H 1.70 0.02 2 1130 . 100 LYS HE2 H 3.05 0.02 1 1131 . 100 LYS HE3 H 3.05 0.02 1 1132 . 100 LYS C C 174.81 0.2 1 1133 . 100 LYS CA C 56.64 0.2 1 1134 . 100 LYS CB C 28.91 0.2 1 1135 . 100 LYS CG C 24.64 0.2 1 1136 . 100 LYS CD C 28.39 0.2 1 1137 . 100 LYS CE C 41.51 0.2 1 1138 . 100 LYS N N 126.62 0.1 1 1139 . 101 GLN H H 9.24 0.02 1 1140 . 101 GLN HA H 3.53 0.02 1 1141 . 101 GLN HB2 H 2.30 0.02 2 1142 . 101 GLN HB3 H 2.23 0.02 2 1143 . 101 GLN HG2 H 2.19 0.02 1 1144 . 101 GLN HG3 H 2.19 0.02 1 1145 . 101 GLN HE21 H 7.44 0.02 2 1146 . 101 GLN HE22 H 6.83 0.02 2 1147 . 101 GLN C C 173.87 0.2 1 1148 . 101 GLN CA C 57.50 0.2 1 1149 . 101 GLN CB C 25.15 0.2 1 1150 . 101 GLN CG C 34.27 0.2 1 1151 . 101 GLN N N 106.45 0.1 1 1152 . 101 GLN NE2 N 112.26 0.1 1 1153 . 102 LEU H H 7.45 0.02 1 1154 . 102 LEU HA H 4.61 0.02 1 1155 . 102 LEU HB2 H 1.58 0.02 2 1156 . 102 LEU HB3 H 0.92 0.02 2 1157 . 102 LEU HG H 1.40 0.02 1 1158 . 102 LEU HD1 H 0.78 0.02 2 1159 . 102 LEU HD2 H 0.25 0.02 2 1160 . 102 LEU C C 173.40 0.2 1 1161 . 102 LEU CA C 50.29 0.2 1 1162 . 102 LEU CB C 44.49 0.2 1 1163 . 102 LEU CG C 25.29 0.2 1 1164 . 102 LEU CD1 C 24.84 0.2 1 1165 . 102 LEU CD2 C 22.48 0.2 1 1166 . 102 LEU N N 116.89 0.1 1 1167 . 103 PRO HA H 4.58 0.02 1 1168 . 103 PRO HB2 H 1.27 0.02 2 1169 . 103 PRO HB3 H 0.90 0.02 2 1170 . 103 PRO HG2 H 1.88 0.02 2 1171 . 103 PRO HG3 H 1.63 0.02 2 1172 . 103 PRO HD2 H 3.30 0.02 2 1173 . 103 PRO HD3 H 3.08 0.02 2 1174 . 103 PRO C C 176.62 0.2 1 1175 . 103 PRO CA C 61.20 0.2 1 1176 . 103 PRO CB C 29.53 0.2 1 1177 . 103 PRO CG C 27.03 0.2 1 1178 . 103 PRO CD C 49.33 0.2 1 1179 . 104 VAL H H 8.28 0.02 1 1180 . 104 VAL HA H 4.59 0.02 1 1181 . 104 VAL HB H 2.02 0.02 1 1182 . 104 VAL HG1 H 0.96 0.02 1 1183 . 104 VAL HG2 H 0.66 0.02 2 1184 . 104 VAL C C 176.04 0.2 1 1185 . 104 VAL CA C 59.56 0.2 1 1186 . 104 VAL CB C 33.18 0.2 1 1187 . 104 VAL CG1 C 21.31 0.2 1 1188 . 104 VAL CG2 C 16.93 0.2 1 1189 . 104 VAL N N 108.04 0.1 1 1190 . 105 HIS H H 7.09 0.02 1 1191 . 105 HIS HA H 5.57 0.02 1 1192 . 105 HIS HB2 H 3.25 0.02 2 1193 . 105 HIS HB3 H 2.89 0.02 2 1194 . 105 HIS HD2 H 6.99 0.02 2 1195 . 105 HIS HE1 H 8.52 0.02 1 1196 . 105 HIS C C 173.20 0.2 1 1197 . 105 HIS CA C 54.21 0.2 1 1198 . 105 HIS CB C 32.06 0.2 1 1199 . 105 HIS CD2 C 118.93 0.2 1 1200 . 105 HIS CE1 C 134.90 0.2 1 1201 . 105 HIS N N 116.44 0.1 1 1202 . 106 PHE HA H 4.19 0.02 1 1203 . 106 PHE HB2 H 2.97 0.02 2 1204 . 106 PHE HB3 H 1.82 0.02 2 1205 . 106 PHE HD1 H 7.00 0.02 2 1206 . 106 PHE HE1 H 6.76 0.02 1 1207 . 106 PHE HZ H 7.05 0.02 1 1208 . 106 PHE C C 173.03 0.2 1 1209 . 106 PHE CA C 58.40 0.2 1 1210 . 106 PHE CB C 38.39 0.2 1 1211 . 106 PHE CD1 C 128.99 0.2 1 1212 . 106 PHE CE1 C 129.88 0.2 1 1213 . 106 PHE CZ C 129.04 0.2 1 1214 . 107 VAL H H 7.93 0.02 1 1215 . 107 VAL HA H 3.78 0.02 1 1216 . 107 VAL HB H 1.21 0.02 1 1217 . 107 VAL HG1 H 0.88 0.02 1 1218 . 107 VAL HG2 H 0.68 0.02 2 1219 . 107 VAL C C 175.65 0.2 1 1220 . 107 VAL CA C 63.12 0.2 1 1221 . 107 VAL CB C 31.71 0.2 1 1222 . 107 VAL CG1 C 20.46 0.2 1 1223 . 107 VAL CG2 C 20.46 0.2 1 1224 . 107 VAL N N 128.00 0.1 1 1225 . 108 GLY H H 6.78 0.02 1 1226 . 108 GLY HA2 H 3.96 0.02 1 1227 . 108 GLY HA3 H 4.20 0.02 1 1228 . 108 GLY C C 170.21 0.2 1 1229 . 108 GLY CA C 45.15 0.2 1 1230 . 108 GLY N N 103.08 0.1 1 1231 . 109 ILE H H 8.53 0.02 1 1232 . 109 ILE HA H 4.17 0.02 1 1233 . 109 ILE HB H 1.74 0.02 1 1234 . 109 ILE HG12 H 1.94 0.02 2 1235 . 109 ILE HG13 H 0.97 0.02 2 1236 . 109 ILE HG2 H 0.88 0.02 1 1237 . 109 ILE HD1 H 0.97 0.02 1 1238 . 109 ILE C C 177.79 0.2 1 1239 . 109 ILE CA C 61.25 0.2 1 1240 . 109 ILE CB C 39.21 0.2 1 1241 . 109 ILE CG1 C 27.96 0.2 1 1242 . 109 ILE CG2 C 17.33 0.2 1 1243 . 109 ILE CD1 C 12.96 0.2 1 1244 . 109 ILE N N 119.25 0.1 1 1245 . 110 GLY H H 8.83 0.02 1 1246 . 110 GLY HA2 H 3.26 0.02 1 1247 . 110 GLY HA3 H 4.21 0.02 1 1248 . 110 GLY C C 171.76 0.2 1 1249 . 110 GLY CA C 45.66 0.2 1 1250 . 110 GLY N N 115.99 0.1 1 1251 . 111 LYS H H 7.17 0.02 1 1252 . 111 LYS HA H 4.37 0.02 1 1253 . 111 LYS HB2 H 1.93 0.02 2 1254 . 111 LYS HB3 H 1.75 0.02 2 1255 . 111 LYS HG2 H 1.34 0.02 2 1256 . 111 LYS HG3 H 1.21 0.02 2 1257 . 111 LYS HD2 H 1.60 0.02 1 1258 . 111 LYS HD3 H 1.60 0.02 1 1259 . 111 LYS HE2 H 2.95 0.02 1 1260 . 111 LYS HE3 H 2.95 0.02 1 1261 . 111 LYS C C 173.86 0.2 1 1262 . 111 LYS CA C 54.86 0.2 1 1263 . 111 LYS CB C 33.38 0.2 1 1264 . 111 LYS CG C 22.13 0.2 1 1265 . 111 LYS CD C 28.38 0.2 1 1266 . 111 LYS CE C 41.51 0.2 1 1267 . 111 LYS N N 115.69 0.1 1 1268 . 112 CYS H H 8.26 0.02 1 1269 . 112 CYS HA H 4.46 0.02 1 1270 . 112 CYS HB2 H 2.96 0.02 2 1271 . 112 CYS HB3 H 2.66 0.02 2 1272 . 112 CYS C C 173.87 0.2 1 1273 . 112 CYS CA C 54.42 0.2 1 1274 . 112 CYS CB C 42.02 0.2 1 1275 . 112 CYS N N 122.26 0.1 1 stop_ save_