data_4893 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C NMR Resonance Assignments of RC-RNase 4 ; _BMRB_accession_number 4893 _BMRB_flat_file_name bmr4893.str _Entry_type original _Submission_date 2000-11-05 _Accession_date 2000-11-06 _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 Hsu Chun-Hua . . 2 Liao You-Di . . 3 Wu Shih-Hsiung . . 4 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" 662 "13C chemical shifts" 494 "15N chemical shifts" 111 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-11-20 original BMRB . stop_ _Original_release_date 2000-11-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 13C and 15N Resonance Assignments and Secondary Structure of the Cytotoxic Protein RNase 4 from Bullfrog Rana catesbeiana Oocytes ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21323471 _PubMed_ID 11430762 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hsu Chun-Hua . . 2 Liao You-Di . . 3 Wu Shih-Hsiung . . 4 Chen Chinpan . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 20 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 93 _Page_last 94 _Year 2001 _Details . loop_ _Keyword antitumor bullfrog oocyte 'resonance assignment' ribonuclease stop_ save_ ################################## # Molecular system description # ################################## save_rRC-RNase4_M(-1)_Q1 _Saveframe_category molecular_system _Mol_system_name 'Recombinant RC-RNase 4' _Abbreviation_common rRC-RNase4[M(-1),Q1] _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label rRC-RNase4 $rRC-RNase4 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' loop_ _Biological_function Ribonuclease antitumor 'cytotoxic protein' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_rRC-RNase4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common rRC-RNase4[M(-1),Q1] _Name_variant 'M(-1), Q1' _Abbreviation_common rRC-RNase4 _Molecular_mass 12217 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 107 _Mol_residue_sequence ; MQDWATFKKKHLTDTWDVDC DNLMPTSLFDCKDKNTFIYS LPGPVKALCRGVIFSADVLS NSEFYLAECNVKPRKPCKYK LKKSSNRICIRCEHELPVHF AGVGICP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 MET 2 1 GLN 3 2 ASP 4 3 TRP 5 4 ALA 6 5 THR 7 6 PHE 8 7 LYS 9 8 LYS 10 9 LYS 11 10 HIS 12 11 LEU 13 12 THR 14 13 ASP 15 14 THR 16 15 TRP 17 16 ASP 18 17 VAL 19 18 ASP 20 19 CYS 21 20 ASP 22 21 ASN 23 22 LEU 24 23 MET 25 24 PRO 26 25 THR 27 26 SER 28 27 LEU 29 28 PHE 30 29 ASP 31 30 CYS 32 31 LYS 33 32 ASP 34 33 LYS 35 34 ASN 36 35 THR 37 36 PHE 38 37 ILE 39 38 TYR 40 39 SER 41 40 LEU 42 41 PRO 43 42 GLY 44 43 PRO 45 44 VAL 46 45 LYS 47 46 ALA 48 47 LEU 49 48 CYS 50 49 ARG 51 50 GLY 52 51 VAL 53 52 ILE 54 53 PHE 55 54 SER 56 55 ALA 57 56 ASP 58 57 VAL 59 58 LEU 60 59 SER 61 60 ASN 62 61 SER 63 62 GLU 64 63 PHE 65 64 TYR 66 65 LEU 67 66 ALA 68 67 GLU 69 68 CYS 70 69 ASN 71 70 VAL 72 71 LYS 73 72 PRO 74 73 ARG 75 74 LYS 76 75 PRO 77 76 CYS 78 77 LYS 79 78 TYR 80 79 LYS 81 80 LEU 82 81 LYS 83 82 LYS 84 83 SER 85 84 SER 86 85 ASN 87 86 ARG 88 87 ILE 89 88 CYS 90 89 ILE 91 90 ARG 92 91 CYS 93 92 GLU 94 93 HIS 95 94 GLU 96 95 LEU 97 96 PRO 98 97 VAL 99 98 HIS 100 99 PHE 101 100 ALA 102 101 GLY 103 102 VAL 104 103 GLY 105 104 ILE 106 105 CYS 107 106 PRO 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 PDB 1KVZ 'Solution Structure Of Cytotoxic Rc-Rnase4' 100.00 107 100.00 100.00 3.38e-57 GenBank AAG31441 'RC-RNase4 ribonuclease precursor [Rana catesbeiana]' 99.07 129 100.00 100.00 7.53e-57 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 _Gene_mnemonic $rRC-RNase4 bullfrog 8400 Eukaryota Metazoa Rana catesbeiana oocyte rcr4 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $rRC-RNase4 '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-RNase4 1.5 mM '[U-15N; U-13C]' stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version . 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_CBCANH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label . save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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_cond-sample_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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond-sample_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name rRC-RNase4 _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 MET HA H 4.15 0.02 1 2 . 1 MET HB2 H 2.59 0.02 2 3 . 1 MET HB3 H 2.65 0.02 2 4 . 1 MET HG2 H 2.16 0.02 1 5 . 1 MET HG3 H 2.16 0.02 1 6 . 1 MET CA C 54.42 0.2 1 7 . 1 MET CB C 30.36 0.2 1 8 . 1 MET CG C 32.52 0.2 1 9 . 2 GLN H H 8.85 0.02 1 10 . 2 GLN HA H 4.70 0.02 1 11 . 2 GLN HB2 H 2.02 0.02 2 12 . 2 GLN HB3 H 2.17 0.02 2 13 . 2 GLN HG2 H 2.47 0.02 1 14 . 2 GLN HG3 H 2.47 0.02 1 15 . 2 GLN HE21 H 6.70 0.02 2 16 . 2 GLN HE22 H 7.70 0.02 2 17 . 2 GLN C C 173.43 0.2 1 18 . 2 GLN CA C 55.12 0.2 1 19 . 2 GLN CB C 27.50 0.2 1 20 . 2 GLN CG C 33.28 0.2 1 21 . 2 GLN N N 123.60 0.1 1 22 . 2 GLN NE2 N 111.65 0.1 1 23 . 3 ASP H H 7.93 0.02 1 24 . 3 ASP HA H 4.88 0.02 1 25 . 3 ASP HB2 H 2.87 0.02 2 26 . 3 ASP HB3 H 3.19 0.02 2 27 . 3 ASP C C 175.95 0.2 1 28 . 3 ASP CA C 51.80 0.2 1 29 . 3 ASP CB C 42.05 0.2 1 30 . 3 ASP N N 121.29 0.1 1 31 . 4 TRP H H 8.95 0.02 1 32 . 4 TRP HA H 5.53 0.02 1 33 . 4 TRP HB2 H 3.22 0.02 2 34 . 4 TRP HB3 H 3.53 0.02 2 35 . 4 TRP HD1 H 7.31 0.02 1 36 . 4 TRP HE1 H 10.35 0.02 1 37 . 4 TRP HE3 H 8.12 0.02 1 38 . 4 TRP HZ2 H 7.46 0.02 1 39 . 4 TRP HZ3 H 6.76 0.02 1 40 . 4 TRP HH2 H 7.12 0.02 1 41 . 4 TRP C C 177.06 0.2 1 42 . 4 TRP CA C 57.48 0.2 1 43 . 4 TRP CB C 31.49 0.2 1 44 . 4 TRP CD1 C 129.83 0.2 1 45 . 4 TRP CE3 C 124.66 0.2 1 46 . 4 TRP CZ2 C 114.27 0.2 1 47 . 4 TRP CZ3 C 120.23 0.2 1 48 . 4 TRP CH2 C 122.74 0.2 1 49 . 4 TRP N N 124.57 0.1 1 50 . 4 TRP NE1 N 128.22 0.1 1 51 . 5 ALA H H 8.30 0.02 1 52 . 5 ALA HA H 3.63 0.02 1 53 . 5 ALA HB H 1.43 0.02 1 54 . 5 ALA C C 177.09 0.2 1 55 . 5 ALA CA C 54.75 0.2 1 56 . 5 ALA CB C 17.46 0.2 1 57 . 5 ALA N N 120.51 0.1 1 58 . 6 THR H H 8.52 0.02 1 59 . 6 THR HA H 3.78 0.02 1 60 . 6 THR HB H 4.36 0.02 1 61 . 6 THR HG2 H 1.32 0.02 1 62 . 6 THR C C 175.45 0.2 1 63 . 6 THR CA C 65.98 0.2 1 64 . 6 THR CB C 67.23 0.2 1 65 . 6 THR CG2 C 21.18 0.2 1 66 . 6 THR N N 114.89 0.1 1 67 . 7 PHE H H 8.57 0.02 1 68 . 7 PHE HA H 4.09 0.02 1 69 . 7 PHE HB2 H 3.15 0.02 2 70 . 7 PHE HB3 H 3.73 0.02 2 71 . 7 PHE HD1 H 7.08 0.02 1 72 . 7 PHE HD2 H 7.08 0.02 1 73 . 7 PHE HE1 H 6.90 0.02 1 74 . 7 PHE HE2 H 6.90 0.02 1 75 . 7 PHE C C 177.78 0.2 1 76 . 7 PHE CA C 61.40 0.2 1 77 . 7 PHE CB C 38.58 0.2 1 78 . 7 PHE CD1 C 132.74 0.2 1 79 . 7 PHE CD2 C 132.74 0.2 1 80 . 7 PHE CE1 C 128.23 0.2 1 81 . 7 PHE CE2 C 128.23 0.2 1 82 . 7 PHE N N 124.26 0.1 1 83 . 8 LYS H H 8.55 0.02 1 84 . 8 LYS HA H 3.57 0.02 1 85 . 8 LYS HB2 H 1.33 0.02 1 86 . 8 LYS HB3 H 1.33 0.02 1 87 . 8 LYS HG2 H 1.10 0.02 1 88 . 8 LYS HG3 H 1.10 0.02 1 89 . 8 LYS HD2 H 1.88 0.02 1 90 . 8 LYS HD3 H 1.88 0.02 1 91 . 8 LYS HE2 H 2.56 0.02 1 92 . 8 LYS HE3 H 2.56 0.02 1 93 . 8 LYS C C 178.88 0.2 1 94 . 8 LYS CA C 59.55 0.2 1 95 . 8 LYS CB C 31.49 0.2 1 96 . 8 LYS CG C 23.62 0.2 1 97 . 8 LYS CD C 28.88 0.2 1 98 . 8 LYS CE C 40.35 0.2 1 99 . 8 LYS N N 117.70 0.1 1 100 . 9 LYS H H 7.18 0.02 1 101 . 9 LYS HA H 4.03 0.02 1 102 . 9 LYS HB2 H 1.78 0.02 1 103 . 9 LYS HB3 H 1.78 0.02 1 104 . 9 LYS HG2 H 1.49 0.02 1 105 . 9 LYS HG3 H 1.49 0.02 1 106 . 9 LYS HD2 H 1.62 0.02 1 107 . 9 LYS HD3 H 1.62 0.02 1 108 . 9 LYS HE2 H 2.92 0.02 1 109 . 9 LYS HE3 H 2.92 0.02 1 110 . 9 LYS C C 178.10 0.2 1 111 . 9 LYS CA C 58.00 0.2 1 112 . 9 LYS CB C 32.45 0.2 1 113 . 9 LYS CG C 24.51 0.2 1 114 . 9 LYS CD C 28.43 0.2 1 115 . 9 LYS CE C 41.31 0.2 1 116 . 9 LYS N N 117.00 0.1 1 117 . 10 LYS H H 8.04 0.02 1 118 . 10 LYS HA H 4.16 0.02 1 119 . 10 LYS HB2 H 1.08 0.02 2 120 . 10 LYS HB3 H 1.36 0.02 2 121 . 10 LYS HG2 H 0.64 0.02 1 122 . 10 LYS HG3 H 0.64 0.02 1 123 . 10 LYS HD2 H 1.41 0.02 2 124 . 10 LYS HD3 H 1.55 0.02 2 125 . 10 LYS HE2 H 2.67 0.02 2 126 . 10 LYS HE3 H 2.80 0.02 2 127 . 10 LYS C C 176.62 0.2 1 128 . 10 LYS CA C 56.82 0.2 1 129 . 10 LYS CB C 34.00 0.2 1 130 . 10 LYS CG C 25.77 0.2 1 131 . 10 LYS CD C 28.43 0.2 1 132 . 10 LYS CE C 40.87 0.2 1 133 . 10 LYS N N 113.79 0.1 1 134 . 11 HIS H H 7.98 0.02 1 135 . 11 HIS HA H 4.74 0.02 1 136 . 11 HIS HB2 H 1.85 0.02 2 137 . 11 HIS HB3 H 2.74 0.02 2 138 . 11 HIS HD2 H 6.79 0.02 1 139 . 11 HIS HE1 H 8.61 0.02 1 140 . 11 HIS C C 173.86 0.2 1 141 . 11 HIS CA C 54.38 0.2 1 142 . 11 HIS CB C 29.20 0.2 1 143 . 11 HIS CD2 C 117.82 0.2 1 144 . 11 HIS CE1 C 136.27 0.2 1 145 . 11 HIS N N 106.99 0.1 1 146 . 12 LEU H H 7.95 0.02 1 147 . 12 LEU HA H 5.66 0.02 1 148 . 12 LEU HB2 H 1.74 0.02 2 149 . 12 LEU HB3 H 2.10 0.02 2 150 . 12 LEU HG H 1.85 0.02 1 151 . 12 LEU HD1 H 1.13 0.02 1 152 . 12 LEU HD2 H 1.05 0.02 1 153 . 12 LEU C C 175.79 0.2 1 154 . 12 LEU CA C 53.94 0.2 1 155 . 12 LEU CB C 42.12 0.2 1 156 . 12 LEU CG C 27.32 0.2 1 157 . 12 LEU CD1 C 25.92 0.2 1 158 . 12 LEU CD2 C 23.54 0.2 1 159 . 12 LEU N N 120.67 0.1 1 160 . 13 THR H H 8.35 0.02 1 161 . 13 THR HA H 4.90 0.02 1 162 . 13 THR HB H 3.76 0.02 1 163 . 13 THR HG2 H 1.10 0.02 1 164 . 13 THR C C 171.79 0.2 1 165 . 13 THR CA C 57.85 0.2 1 166 . 13 THR CB C 69.52 0.2 1 167 . 13 THR CG2 C 19.03 0.2 1 168 . 13 THR N N 114.03 0.1 1 169 . 14 ASP H H 8.28 0.02 1 170 . 14 ASP HA H 4.93 0.02 1 171 . 14 ASP HB2 H 2.77 0.02 2 172 . 14 ASP HB3 H 2.90 0.02 2 173 . 14 ASP C C 174.85 0.2 1 174 . 14 ASP CA C 52.68 0.2 1 175 . 14 ASP CB C 39.32 0.2 1 176 . 14 ASP N N 124.26 0.1 1 177 . 15 THR H H 7.75 0.02 1 178 . 15 THR HA H 4.22 0.02 1 179 . 15 THR HB H 3.90 0.02 1 180 . 15 THR HG2 H 0.82 0.02 1 181 . 15 THR C C 171.54 0.2 1 182 . 15 THR CA C 58.00 0.2 1 183 . 15 THR CB C 68.71 0.2 1 184 . 15 THR CG2 C 18.33 0.2 1 185 . 15 THR N N 113.56 0.1 1 186 . 16 TRP H H 8.14 0.02 1 187 . 16 TRP HA H 4.08 0.02 1 188 . 16 TRP HB2 H 2.24 0.02 2 189 . 16 TRP HB3 H 2.76 0.02 2 190 . 16 TRP HD1 H 7.16 0.02 1 191 . 16 TRP HE1 H 9.97 0.02 1 192 . 16 TRP HE3 H 7.40 0.02 1 193 . 16 TRP HZ2 H 7.43 0.02 1 194 . 16 TRP HZ3 H 6.94 0.02 1 195 . 16 TRP HH2 H 7.16 0.02 1 196 . 16 TRP C C 176.40 0.2 1 197 . 16 TRP CA C 55.34 0.2 1 198 . 16 TRP CB C 29.86 0.2 1 199 . 16 TRP CD1 C 131.28 0.2 1 200 . 16 TRP CE3 C 120.64 0.2 1 201 . 16 TRP CZ2 C 114.27 0.2 1 202 . 16 TRP CZ3 C 120.74 0.2 1 203 . 16 TRP CH2 C 125.74 0.2 1 204 . 16 TRP N N 129.18 0.1 1 205 . 16 TRP NE1 N 126.37 0.1 1 206 . 17 ASP H H 7.39 0.02 1 207 . 17 ASP HA H 4.44 0.02 1 208 . 17 ASP HB2 H 2.18 0.02 2 209 . 17 ASP HB3 H 2.38 0.02 2 210 . 17 ASP C C 174.82 0.2 1 211 . 17 ASP CA C 51.72 0.2 1 212 . 17 ASP CB C 38.73 0.2 1 213 . 17 ASP N N 115.51 0.1 1 214 . 18 VAL H H 6.64 0.02 1 215 . 18 VAL HA H 3.09 0.02 1 216 . 18 VAL HB H 1.28 0.02 1 217 . 18 VAL HG1 H -0.03 0.02 1 218 . 18 VAL HG2 H 0.44 0.02 1 219 . 18 VAL C C 175.33 0.2 1 220 . 18 VAL CA C 62.28 0.2 1 221 . 18 VAL CB C 31.93 0.2 1 222 . 18 VAL CG1 C 21.62 0.2 1 223 . 18 VAL CG2 C 19.33 0.2 1 224 . 18 VAL N N 121.61 0.1 1 225 . 19 ASP H H 8.54 0.02 1 226 . 19 ASP HA H 4.60 0.02 1 227 . 19 ASP HB2 H 2.43 0.02 2 228 . 19 ASP HB3 H 2.91 0.02 2 229 . 19 ASP C C 176.12 0.2 1 230 . 19 ASP CA C 50.32 0.2 1 231 . 19 ASP CB C 37.25 0.2 1 232 . 19 ASP N N 126.22 0.1 1 233 . 20 CYS H H 7.91 0.02 1 234 . 20 CYS HA H 3.59 0.02 1 235 . 20 CYS HB2 H 2.29 0.02 2 236 . 20 CYS HB3 H 2.92 0.02 2 237 . 20 CYS C C 175.77 0.2 1 238 . 20 CYS CA C 57.34 0.2 1 239 . 20 CYS CB C 40.06 0.2 1 240 . 20 CYS N N 121.29 0.1 1 241 . 21 ASP H H 8.82 0.02 1 242 . 21 ASP HA H 4.48 0.02 1 243 . 21 ASP HB2 H 2.70 0.02 1 244 . 21 ASP HB3 H 2.70 0.02 1 245 . 21 ASP C C 176.95 0.2 1 246 . 21 ASP CA C 56.52 0.2 1 247 . 21 ASP CB C 38.65 0.2 1 248 . 21 ASP N N 117.71 0.1 1 249 . 22 ASN H H 7.11 0.02 1 250 . 22 ASN HA H 4.87 0.02 1 251 . 22 ASN HB2 H 2.54 0.02 1 252 . 22 ASN HB3 H 2.54 0.02 1 253 . 22 ASN HD21 H 6.78 0.02 2 254 . 22 ASN HD22 H 8.36 0.02 2 255 . 22 ASN C C 176.09 0.2 1 256 . 22 ASN CA C 53.20 0.2 1 257 . 22 ASN CB C 39.24 0.2 1 258 . 22 ASN N N 113.87 0.1 1 259 . 22 ASN ND2 N 115.52 0.1 1 260 . 23 LEU H H 7.76 0.02 1 261 . 23 LEU HA H 4.44 0.02 1 262 . 23 LEU HB2 H 1.18 0.02 2 263 . 23 LEU HB3 H 1.33 0.02 2 264 . 23 LEU HG H 1.41 0.02 1 265 . 23 LEU HD1 H 0.76 0.02 1 266 . 23 LEU HD2 H 0.61 0.02 1 267 . 23 LEU C C 178.14 0.2 1 268 . 23 LEU CA C 55.86 0.2 1 269 . 23 LEU CB C 43.82 0.2 1 270 . 23 LEU CG C 25.99 0.2 1 271 . 23 LEU CD1 C 24.58 0.2 1 272 . 23 LEU CD2 C 23.25 0.2 1 273 . 23 LEU N N 120.51 0.1 1 274 . 24 MET H H 8.43 0.02 1 275 . 24 MET HA H 4.46 0.02 1 276 . 24 MET HB2 H 1.64 0.02 2 277 . 24 MET HB3 H 1.81 0.02 2 278 . 24 MET C C 176.33 0.2 1 279 . 24 MET CA C 55.93 0.2 1 280 . 24 MET CB C 28.61 0.2 1 281 . 24 MET N N 119.26 0.1 1 282 . 25 PRO HA H 5.09 0.02 1 283 . 25 PRO HB2 H 1.82 0.02 2 284 . 25 PRO HB3 H 2.47 0.02 2 285 . 25 PRO HG2 H 2.18 0.02 2 286 . 25 PRO HG3 H 2.32 0.02 2 287 . 25 PRO HD2 H 3.23 0.02 2 288 . 25 PRO HD3 H 3.52 0.02 2 289 . 25 PRO C C 178.56 0.2 1 290 . 25 PRO CA C 63.61 0.2 1 291 . 25 PRO CB C 31.12 0.2 1 292 . 25 PRO CG C 28.06 0.2 1 293 . 25 PRO CD C 51.38 0.2 1 294 . 26 THR H H 7.67 0.02 1 295 . 26 THR HA H 4.46 0.02 1 296 . 26 THR HB H 4.62 0.02 1 297 . 26 THR HG2 H 1.58 0.02 1 298 . 26 THR C C 176.40 0.2 1 299 . 26 THR CA C 61.77 0.2 1 300 . 26 THR CB C 70.63 0.2 1 301 . 26 THR CG2 C 20.88 0.2 1 302 . 26 THR N N 106.68 0.1 1 303 . 27 SER H H 8.76 0.02 1 304 . 27 SER HA H 4.21 0.02 1 305 . 27 SER HB2 H 3.92 0.02 1 306 . 27 SER HB3 H 3.92 0.02 1 307 . 27 SER C C 177.28 0.2 1 308 . 27 SER CA C 60.59 0.2 1 309 . 27 SER CB C 62.36 0.2 1 310 . 27 SER N N 115.82 0.1 1 311 . 28 LEU H H 7.29 0.02 1 312 . 28 LEU HA H 3.82 0.02 1 313 . 28 LEU HB2 H 0.59 0.02 2 314 . 28 LEU HB3 H 1.01 0.02 2 315 . 28 LEU HG H 0.97 0.02 1 316 . 28 LEU HD1 H 0.55 0.02 1 317 . 28 LEU HD2 H 0.66 0.02 2 318 . 28 LEU C C 176.26 0.2 1 319 . 28 LEU CA C 55.93 0.2 1 320 . 28 LEU CB C 41.68 0.2 1 321 . 28 LEU CG C 25.67 0.2 1 322 . 28 LEU CD1 C 23.77 0.2 1 323 . 28 LEU CD2 C 23.77 0.2 1 324 . 28 LEU N N 119.03 0.1 1 325 . 29 PHE H H 7.17 0.02 1 326 . 29 PHE HA H 4.59 0.02 1 327 . 29 PHE HB2 H 3.08 0.02 2 328 . 29 PHE HB3 H 3.44 0.02 2 329 . 29 PHE HD1 H 7.02 0.02 1 330 . 29 PHE HD2 H 7.02 0.02 1 331 . 29 PHE HE1 H 7.06 0.02 1 332 . 29 PHE HE2 H 7.06 0.02 1 333 . 29 PHE C C 176.67 0.2 1 334 . 29 PHE CA C 57.78 0.2 1 335 . 29 PHE CB C 41.46 0.2 1 336 . 29 PHE CD1 C 131.50 0.2 1 337 . 29 PHE CD2 C 131.50 0.2 1 338 . 29 PHE CE1 C 130.50 0.2 1 339 . 29 PHE CE2 C 130.50 0.2 1 340 . 29 PHE N N 114.03 0.1 1 341 . 30 ASP H H 9.25 0.02 1 342 . 30 ASP HA H 4.21 0.02 1 343 . 30 ASP HB2 H 2.42 0.02 2 344 . 30 ASP HB3 H 3.02 0.02 2 345 . 30 ASP C C 174.38 0.2 1 346 . 30 ASP CA C 53.79 0.2 1 347 . 30 ASP CB C 37.84 0.2 1 348 . 30 ASP N N 117.78 0.1 1 349 . 31 CYS H H 9.17 0.02 1 350 . 31 CYS HA H 4.38 0.02 1 351 . 31 CYS HB2 H 3.26 0.02 2 352 . 31 CYS HB3 H 3.43 0.02 2 353 . 31 CYS C C 175.47 0.2 1 354 . 31 CYS CA C 55.56 0.2 1 355 . 31 CYS CB C 37.47 0.2 1 356 . 31 CYS N N 108.40 0.1 1 357 . 32 LYS H H 7.26 0.02 1 358 . 32 LYS HA H 4.31 0.02 1 359 . 32 LYS HB2 H 1.90 0.02 2 360 . 32 LYS HB3 H 2.16 0.02 2 361 . 32 LYS HG2 H 1.63 0.02 2 362 . 32 LYS HG3 H 1.74 0.02 2 363 . 32 LYS HD2 H 1.95 0.02 2 364 . 32 LYS HD3 H 2.05 0.02 2 365 . 32 LYS HE2 H 3.31 0.02 1 366 . 32 LYS HE3 H 3.31 0.02 1 367 . 32 LYS C C 176.55 0.2 1 368 . 32 LYS CA C 55.79 0.2 1 369 . 32 LYS CB C 31.93 0.2 1 370 . 32 LYS CG C 23.99 0.2 1 371 . 32 LYS CD C 28.95 0.2 1 372 . 32 LYS CE C 41.17 0.2 1 373 . 32 LYS N N 117.00 0.1 1 374 . 33 ASP H H 8.63 0.02 1 375 . 33 ASP HA H 4.21 0.02 1 376 . 33 ASP HB2 H 2.79 0.02 1 377 . 33 ASP HB3 H 2.79 0.02 1 378 . 33 ASP C C 175.21 0.2 1 379 . 33 ASP CA C 56.67 0.2 1 380 . 33 ASP CB C 39.39 0.2 1 381 . 33 ASP N N 121.37 0.1 1 382 . 34 LYS H H 7.53 0.02 1 383 . 34 LYS HA H 5.62 0.02 1 384 . 34 LYS HB2 H 1.81 0.02 2 385 . 34 LYS HB3 H 1.88 0.02 2 386 . 34 LYS HG2 H 1.34 0.02 2 387 . 34 LYS HG3 H 1.66 0.02 2 388 . 34 LYS HD2 H 1.65 0.02 1 389 . 34 LYS HD3 H 1.65 0.02 1 390 . 34 LYS HE2 H 2.98 0.02 1 391 . 34 LYS HE3 H 2.98 0.02 1 392 . 34 LYS C C 176.10 0.2 1 393 . 34 LYS CA C 53.94 0.2 1 394 . 34 LYS CB C 35.70 0.2 1 395 . 34 LYS CG C 23.18 0.2 1 396 . 34 LYS CD C 28.88 0.2 1 397 . 34 LYS CE C 41.24 0.2 1 398 . 34 LYS N N 114.42 0.1 1 399 . 35 ASN H H 7.88 0.02 1 400 . 35 ASN HA H 4.66 0.02 1 401 . 35 ASN HB2 H 1.85 0.02 2 402 . 35 ASN HB3 H 2.20 0.02 2 403 . 35 ASN HD21 H 3.73 0.02 2 404 . 35 ASN HD22 H 6.24 0.02 2 405 . 35 ASN C C 172.91 0.2 1 406 . 35 ASN CA C 54.16 0.2 1 407 . 35 ASN CB C 43.31 0.2 1 408 . 35 ASN N N 115.98 0.1 1 409 . 35 ASN ND2 N 114.92 0.1 1 410 . 36 THR H H 8.21 0.02 1 411 . 36 THR HA H 4.50 0.02 1 412 . 36 THR HB H 2.98 0.02 1 413 . 36 THR HG2 H 0.87 0.02 1 414 . 36 THR C C 171.45 0.2 1 415 . 36 THR CA C 62.36 0.2 1 416 . 36 THR CB C 67.75 0.2 1 417 . 36 THR CG2 C 22.29 0.2 1 418 . 36 THR N N 122.78 0.1 1 419 . 37 PHE H H 9.63 0.02 1 420 . 37 PHE HA H 4.64 0.02 1 421 . 37 PHE HB2 H 2.57 0.02 2 422 . 37 PHE HB3 H 3.16 0.02 2 423 . 37 PHE HD1 H 7.00 0.02 1 424 . 37 PHE HD2 H 7.00 0.02 1 425 . 37 PHE HE1 H 7.03 0.02 1 426 . 37 PHE HE2 H 7.03 0.02 1 427 . 37 PHE HZ H 7.42 0.02 1 428 . 37 PHE C C 173.59 0.2 1 429 . 37 PHE CA C 55.42 0.2 1 430 . 37 PHE CB C 40.74 0.2 1 431 . 37 PHE CD1 C 132.77 0.2 1 432 . 37 PHE CD2 C 132.77 0.2 1 433 . 37 PHE CE1 C 131.45 0.2 1 434 . 37 PHE CE2 C 131.45 0.2 1 435 . 37 PHE CZ C 129.96 0.2 1 436 . 37 PHE N N 126.76 0.1 1 437 . 38 ILE H H 9.46 0.02 1 438 . 38 ILE HA H 4.50 0.02 1 439 . 38 ILE HB H 2.00 0.02 1 440 . 38 ILE HG12 H 1.56 0.02 1 441 . 38 ILE HG13 H 1.56 0.02 1 442 . 38 ILE HG2 H 0.65 0.02 1 443 . 38 ILE HD1 H 0.83 0.02 1 444 . 38 ILE C C 175.39 0.2 1 445 . 38 ILE CA C 59.63 0.2 1 446 . 38 ILE CB C 38.88 0.2 1 447 . 38 ILE CG1 C 26.84 0.2 1 448 . 38 ILE CG2 C 18.14 0.2 1 449 . 38 ILE CD1 C 14.44 0.2 1 450 . 38 ILE N N 122.62 0.1 1 451 . 39 TYR H H 9.14 0.02 1 452 . 39 TYR HA H 5.47 0.02 1 453 . 39 TYR HB2 H 2.42 0.02 2 454 . 39 TYR HB3 H 2.66 0.02 2 455 . 39 TYR HD1 H 6.46 0.02 1 456 . 39 TYR HD2 H 6.46 0.02 1 457 . 39 TYR HE1 H 6.52 0.02 1 458 . 39 TYR HE2 H 6.52 0.02 1 459 . 39 TYR C C 173.43 0.2 1 460 . 39 TYR CA C 53.05 0.2 1 461 . 39 TYR CB C 34.96 0.2 1 462 . 39 TYR CD1 C 131.05 0.2 1 463 . 39 TYR CD2 C 131.05 0.2 1 464 . 39 TYR CE1 C 118.03 0.2 1 465 . 39 TYR CE2 C 118.03 0.2 1 466 . 39 TYR N N 130.28 0.1 1 467 . 40 SER H H 7.86 0.02 1 468 . 40 SER HA H 4.34 0.02 1 469 . 40 SER HB2 H 3.20 0.02 2 470 . 40 SER HB3 H 4.02 0.02 2 471 . 40 SER HG H 6.35 0.02 1 472 . 40 SER C C 173.65 0.2 1 473 . 40 SER CA C 56.08 0.2 1 474 . 40 SER CB C 64.65 0.2 1 475 . 40 SER N N 120.28 0.1 1 476 . 41 LEU H H 8.25 0.02 1 477 . 41 LEU HA H 4.76 0.02 1 478 . 41 LEU HB2 H 1.59 0.02 2 479 . 41 LEU HB3 H 1.88 0.02 2 480 . 41 LEU HG H 1.10 0.02 1 481 . 41 LEU HD1 H 1.04 0.02 1 482 . 41 LEU HD2 H 0.87 0.02 1 483 . 41 LEU C C 177.48 0.2 1 484 . 41 LEU CA C 54.31 0.2 1 485 . 41 LEU CB C 39.76 0.2 1 486 . 41 LEU CG C 24.31 0.2 1 487 . 41 LEU CD1 C 22.42 0.2 1 488 . 41 LEU CD2 C 22.42 0.2 1 489 . 41 LEU N N 124.97 0.1 1 490 . 42 PRO HA H 4.41 0.02 1 491 . 42 PRO HB2 H 2.35 0.02 2 492 . 42 PRO HB3 H 2.42 0.02 2 493 . 42 PRO HG2 H 2.13 0.02 2 494 . 42 PRO HG3 H 2.32 0.02 2 495 . 42 PRO HD2 H 3.96 0.02 1 496 . 42 PRO HD3 H 3.96 0.02 1 497 . 42 PRO C C 178.67 0.2 1 498 . 42 PRO CA C 65.16 0.2 1 499 . 42 PRO CB C 31.64 0.2 1 500 . 42 PRO CG C 26.95 0.2 1 501 . 42 PRO CD C 49.67 0.2 1 502 . 43 GLY H H 8.58 0.02 1 503 . 43 GLY HA2 H 3.82 0.02 2 504 . 43 GLY HA3 H 4.16 0.02 2 505 . 43 GLY C C 175.21 0.2 1 506 . 43 GLY CA C 48.40 0.2 1 507 . 43 GLY N N 105.43 0.1 1 508 . 44 PRO HA H 4.34 0.02 1 509 . 44 PRO HB2 H 1.90 0.02 2 510 . 44 PRO HB3 H 2.53 0.02 2 511 . 44 PRO HG2 H 1.98 0.02 2 512 . 44 PRO HG3 H 2.12 0.02 2 513 . 44 PRO HD2 H 3.57 0.02 2 514 . 44 PRO HD3 H 3.82 0.02 2 515 . 44 PRO C C 177.79 0.2 1 516 . 44 PRO CA C 64.13 0.2 1 517 . 44 PRO CB C 32.08 0.2 1 518 . 44 PRO CG C 26.88 0.2 1 519 . 44 PRO CD C 50.05 0.2 1 520 . 45 VAL H H 6.92 0.02 1 521 . 45 VAL HA H 3.70 0.02 1 522 . 45 VAL HB H 2.32 0.02 1 523 . 45 VAL HG1 H 0.96 0.02 1 524 . 45 VAL HG2 H 1.02 0.02 1 525 . 45 VAL C C 176.70 0.2 1 526 . 45 VAL CA C 64.20 0.2 1 527 . 45 VAL CB C 31.27 0.2 1 528 . 45 VAL CG1 C 21.03 0.2 1 529 . 45 VAL CG2 C 21.92 0.2 1 530 . 45 VAL N N 114.26 0.1 1 531 . 46 LYS H H 8.39 0.02 1 532 . 46 LYS HA H 3.11 0.02 1 533 . 46 LYS HB2 H 1.58 0.02 1 534 . 46 LYS HB3 H 1.58 0.02 1 535 . 46 LYS HG2 H 0.75 0.02 2 536 . 46 LYS HG3 H 0.95 0.02 2 537 . 46 LYS HD2 H 1.40 0.02 2 538 . 46 LYS HD3 H 1.62 0.02 2 539 . 46 LYS HE2 H 2.67 0.02 1 540 . 46 LYS HE3 H 2.67 0.02 1 541 . 46 LYS C C 179.60 0.2 1 542 . 46 LYS CA C 58.74 0.2 1 543 . 46 LYS CB C 31.49 0.2 1 544 . 46 LYS CG C 24.07 0.2 1 545 . 46 LYS CD C 28.58 0.2 1 546 . 46 LYS CE C 40.94 0.2 1 547 . 46 LYS N N 118.95 0.1 1 548 . 47 ALA H H 8.14 0.02 1 549 . 47 ALA HA H 3.92 0.02 1 550 . 47 ALA HB H 1.42 0.02 1 551 . 47 ALA C C 179.28 0.2 1 552 . 47 ALA CA C 53.57 0.2 1 553 . 47 ALA CB C 17.83 0.2 1 554 . 47 ALA N N 119.11 0.1 1 555 . 48 LEU H H 7.32 0.02 1 556 . 48 LEU HA H 4.02 0.02 1 557 . 48 LEU HB2 H 1.20 0.02 2 558 . 48 LEU HB3 H 1.93 0.02 2 559 . 48 LEU HG H 2.21 0.02 1 560 . 48 LEU HD1 H 0.86 0.02 1 561 . 48 LEU HD2 H 1.00 0.02 1 562 . 48 LEU C C 177.98 0.2 1 563 . 48 LEU CA C 56.01 0.2 1 564 . 48 LEU CB C 41.31 0.2 1 565 . 48 LEU CG C 26.20 0.2 1 566 . 48 LEU CD1 C 25.47 0.2 1 567 . 48 LEU CD2 C 22.66 0.2 1 568 . 48 LEU N N 116.45 0.1 1 569 . 49 CYS H H 7.17 0.02 1 570 . 49 CYS HA H 4.75 0.02 1 571 . 49 CYS HB2 H 2.10 0.02 2 572 . 49 CYS HB3 H 2.81 0.02 2 573 . 49 CYS C C 174.74 0.2 1 574 . 49 CYS CA C 49.95 0.2 1 575 . 49 CYS CB C 35.92 0.2 1 576 . 49 CYS N N 110.12 0.1 1 577 . 50 ARG H H 7.16 0.02 1 578 . 50 ARG HA H 3.87 0.02 1 579 . 50 ARG HB2 H 1.77 0.02 1 580 . 50 ARG HB3 H 1.77 0.02 1 581 . 50 ARG HG2 H 1.78 0.02 1 582 . 50 ARG HG3 H 1.78 0.02 1 583 . 50 ARG HD2 H 3.19 0.02 1 584 . 50 ARG HD3 H 3.19 0.02 1 585 . 50 ARG HE H 7.14 0.02 1 586 . 50 ARG C C 177.55 0.2 1 587 . 50 ARG CA C 57.85 0.2 1 588 . 50 ARG CB C 29.13 0.2 1 589 . 50 ARG CG C 28.95 0.2 1 590 . 50 ARG CD C 42.65 0.2 1 591 . 50 ARG N N 123.48 0.1 1 592 . 50 ARG NE N 83.65 0.1 1 593 . 51 GLY H H 9.95 0.02 1 594 . 51 GLY HA2 H 3.50 0.02 2 595 . 51 GLY HA3 H 4.12 0.02 2 596 . 51 GLY C C 173.82 0.2 1 597 . 51 GLY CA C 44.49 0.2 1 598 . 51 GLY N N 115.12 0.1 1 599 . 52 VAL H H 7.91 0.02 1 600 . 52 VAL HA H 3.90 0.02 1 601 . 52 VAL HB H 1.89 0.02 1 602 . 52 VAL HG1 H 0.69 0.02 1 603 . 52 VAL HG2 H 0.74 0.02 1 604 . 52 VAL C C 173.90 0.2 1 605 . 52 VAL CA C 61.18 0.2 1 606 . 52 VAL CB C 29.05 0.2 1 607 . 52 VAL CG1 C 19.55 0.2 1 608 . 52 VAL CG2 C 22.14 0.2 1 609 . 52 VAL N N 123.25 0.1 1 610 . 53 ILE H H 7.76 0.02 1 611 . 53 ILE HA H 3.50 0.02 1 612 . 53 ILE HB H 1.47 0.02 1 613 . 53 ILE HG12 H 1.04 0.02 2 614 . 53 ILE HG13 H 1.14 0.02 2 615 . 53 ILE HG2 H 0.41 0.02 1 616 . 53 ILE HD1 H 0.64 0.02 1 617 . 53 ILE C C 177.21 0.2 1 618 . 53 ILE CA C 62.58 0.2 1 619 . 53 ILE CB C 37.18 0.2 1 620 . 53 ILE CG1 C 26.66 0.2 1 621 . 53 ILE CG2 C 16.73 0.2 1 622 . 53 ILE CD1 C 10.96 0.2 1 623 . 53 ILE N N 125.75 0.1 1 624 . 54 PHE H H 7.86 0.02 1 625 . 54 PHE HA H 4.68 0.02 1 626 . 54 PHE HB2 H 2.91 0.02 2 627 . 54 PHE HB3 H 3.25 0.02 2 628 . 54 PHE HD1 H 7.38 0.02 1 629 . 54 PHE HD2 H 7.38 0.02 1 630 . 54 PHE HE1 H 7.42 0.02 1 631 . 54 PHE HE2 H 7.42 0.02 1 632 . 54 PHE C C 174.42 0.2 1 633 . 54 PHE CA C 53.86 0.2 1 634 . 54 PHE CB C 37.40 0.2 1 635 . 54 PHE CD1 C 131.76 0.2 1 636 . 54 PHE CD2 C 131.76 0.2 1 637 . 54 PHE CE1 C 129.96 0.2 1 638 . 54 PHE CE2 C 129.96 0.2 1 639 . 54 PHE N N 120.98 0.1 1 640 . 55 SER H H 7.78 0.02 1 641 . 55 SER HA H 5.09 0.02 1 642 . 55 SER HB2 H 3.70 0.02 1 643 . 55 SER HB3 H 3.70 0.02 1 644 . 55 SER C C 174.61 0.2 1 645 . 55 SER CA C 56.97 0.2 1 646 . 55 SER CB C 63.24 0.2 1 647 . 55 SER N N 113.64 0.1 1 648 . 56 ALA H H 8.34 0.02 1 649 . 56 ALA HA H 4.40 0.02 1 650 . 56 ALA HB H 1.30 0.02 1 651 . 56 ALA C C 175.54 0.2 1 652 . 56 ALA CA C 51.58 0.2 1 653 . 56 ALA CB C 21.23 0.2 1 654 . 56 ALA N N 125.67 0.1 1 655 . 57 ASP H H 8.49 0.02 1 656 . 57 ASP HA H 5.41 0.02 1 657 . 57 ASP HB2 H 2.54 0.02 1 658 . 57 ASP HB3 H 2.54 0.02 1 659 . 57 ASP C C 175.16 0.2 1 660 . 57 ASP CA C 52.09 0.2 1 661 . 57 ASP CB C 38.21 0.2 1 662 . 57 ASP N N 120.98 0.1 1 663 . 58 VAL H H 9.30 0.02 1 664 . 58 VAL HA H 4.16 0.02 1 665 . 58 VAL HB H 1.84 0.02 1 666 . 58 VAL HG1 H 0.84 0.02 1 667 . 58 VAL HG2 H 1.86 0.02 1 668 . 58 VAL C C 172.75 0.2 1 669 . 58 VAL CA C 60.22 0.2 1 670 . 58 VAL CB C 34.74 0.2 1 671 . 58 VAL CG1 C 20.07 0.2 1 672 . 58 VAL CG2 C 20.36 0.2 1 673 . 58 VAL N N 123.56 0.1 1 674 . 59 LEU H H 8.23 0.02 1 675 . 59 LEU HA H 5.02 0.02 1 676 . 59 LEU HB2 H 1.43 0.02 2 677 . 59 LEU HB3 H 1.78 0.02 2 678 . 59 LEU HG H 1.66 0.02 1 679 . 59 LEU HD1 H 0.91 0.02 1 680 . 59 LEU HD2 H 0.53 0.02 1 681 . 59 LEU C C 177.60 0.2 1 682 . 59 LEU CA C 51.50 0.2 1 683 . 59 LEU CB C 42.79 0.2 1 684 . 59 LEU CG C 26.28 0.2 1 685 . 59 LEU CD1 C 25.47 0.2 1 686 . 59 LEU CD2 C 21.62 0.2 1 687 . 59 LEU N N 127.00 0.1 1 688 . 60 SER H H 9.49 0.02 1 689 . 60 SER HA H 4.21 0.02 1 690 . 60 SER HB2 H 4.09 0.02 2 691 . 60 SER HB3 H 4.17 0.02 2 692 . 60 SER HG H 5.88 0.02 1 693 . 60 SER C C 172.93 0.2 1 694 . 60 SER CA C 58.30 0.2 1 695 . 60 SER CB C 64.20 0.2 1 696 . 60 SER N N 124.42 0.1 1 697 . 61 ASN H H 8.71 0.02 1 698 . 61 ASN HA H 4.67 0.02 1 699 . 61 ASN HB2 H 2.84 0.02 1 700 . 61 ASN HB3 H 2.84 0.02 1 701 . 61 ASN HD21 H 6.96 0.02 2 702 . 61 ASN HD22 H 7.60 0.02 2 703 . 61 ASN C C 175.93 0.2 1 704 . 61 ASN CA C 53.87 0.2 1 705 . 61 ASN CB C 38.21 0.2 1 706 . 61 ASN N N 119.03 0.1 1 707 . 61 ASN ND2 N 113.11 0.1 1 708 . 62 SER H H 7.83 0.02 1 709 . 62 SER HA H 4.51 0.02 1 710 . 62 SER HB2 H 3.65 0.02 1 711 . 62 SER HB3 H 3.65 0.02 1 712 . 62 SER C C 173.20 0.2 1 713 . 62 SER CA C 55.71 0.2 1 714 . 62 SER CB C 63.61 0.2 1 715 . 62 SER N N 111.92 0.1 1 716 . 63 GLU H H 8.36 0.02 1 717 . 63 GLU HA H 4.03 0.02 1 718 . 63 GLU HB2 H 1.65 0.02 1 719 . 63 GLU HB3 H 1.65 0.02 1 720 . 63 GLU HG2 H 2.06 0.02 2 721 . 63 GLU HG3 H 2.35 0.02 2 722 . 63 GLU C C 175.01 0.2 1 723 . 63 GLU CA C 55.12 0.2 1 724 . 63 GLU CB C 29.35 0.2 1 725 . 63 GLU CG C 34.36 0.2 1 726 . 63 GLU N N 119.03 0.1 1 727 . 64 PHE H H 8.60 0.02 1 728 . 64 PHE HA H 4.24 0.02 1 729 . 64 PHE HB2 H 2.61 0.02 2 730 . 64 PHE HB3 H 3.01 0.02 2 731 . 64 PHE HD1 H 7.30 0.02 1 732 . 64 PHE HD2 H 7.30 0.02 1 733 . 64 PHE HE1 H 7.16 0.02 1 734 . 64 PHE HE2 H 7.16 0.02 1 735 . 64 PHE HZ H 7.07 0.02 1 736 . 64 PHE C C 174.58 0.2 1 737 . 64 PHE CA C 55.86 0.2 1 738 . 64 PHE CB C 42.20 0.2 1 739 . 64 PHE CD1 C 131.45 0.2 1 740 . 64 PHE CD2 C 131.45 0.2 1 741 . 64 PHE CE1 C 131.28 0.2 1 742 . 64 PHE CE2 C 131.28 0.2 1 743 . 64 PHE CZ C 128.91 0.2 1 744 . 64 PHE N N 120.75 0.1 1 745 . 65 TYR H H 9.14 0.02 1 746 . 65 TYR HA H 4.84 0.02 1 747 . 65 TYR HB2 H 1.95 0.02 2 748 . 65 TYR HB3 H 2.83 0.02 2 749 . 65 TYR HD1 H 6.31 0.02 1 750 . 65 TYR HD2 H 6.31 0.02 1 751 . 65 TYR HE1 H 7.02 0.02 1 752 . 65 TYR HE2 H 7.02 0.02 1 753 . 65 TYR C C 175.22 0.2 1 754 . 65 TYR CA C 56.89 0.2 1 755 . 65 TYR CB C 37.25 0.2 1 756 . 65 TYR CD1 C 129.76 0.2 1 757 . 65 TYR CD2 C 129.76 0.2 1 758 . 65 TYR CE1 C 119.18 0.2 1 759 . 65 TYR CE2 C 119.18 0.2 1 760 . 65 TYR N N 120.04 0.1 1 761 . 66 LEU H H 9.64 0.02 1 762 . 66 LEU HA H 5.50 0.02 1 763 . 66 LEU HB2 H 1.23 0.02 2 764 . 66 LEU HB3 H 2.01 0.02 2 765 . 66 LEU HG H 1.26 0.02 1 766 . 66 LEU HD1 H 0.89 0.02 1 767 . 66 LEU HD2 H 0.83 0.02 1 768 . 66 LEU C C 177.32 0.2 1 769 . 66 LEU CA C 52.76 0.2 1 770 . 66 LEU CB C 44.63 0.2 1 771 . 66 LEU CG C 26.66 0.2 1 772 . 66 LEU CD1 C 25.25 0.2 1 773 . 66 LEU CD2 C 23.70 0.2 1 774 . 66 LEU N N 123.01 0.1 1 775 . 67 ALA H H 9.54 0.02 1 776 . 67 ALA HA H 5.25 0.02 1 777 . 67 ALA HB H 1.63 0.02 1 778 . 67 ALA C C 175.07 0.2 1 779 . 67 ALA CA C 49.80 0.2 1 780 . 67 ALA CB C 22.11 0.2 1 781 . 67 ALA N N 127.07 0.1 1 782 . 68 GLU H H 9.34 0.02 1 783 . 68 GLU HA H 5.28 0.02 1 784 . 68 GLU HB2 H 2.00 0.02 2 785 . 68 GLU HB3 H 2.15 0.02 2 786 . 68 GLU HG2 H 2.20 0.02 1 787 . 68 GLU HG3 H 2.20 0.02 1 788 . 68 GLU C C 175.61 0.2 1 789 . 68 GLU CA C 53.72 0.2 1 790 . 68 GLU CB C 32.67 0.2 1 791 . 68 GLU CG C 35.98 0.2 1 792 . 68 GLU N N 123.72 0.1 1 793 . 69 CYS H H 8.47 0.02 1 794 . 69 CYS HA H 5.26 0.02 1 795 . 69 CYS HB2 H 2.50 0.02 2 796 . 69 CYS HB3 H 2.69 0.02 2 797 . 69 CYS C C 173.47 0.2 1 798 . 69 CYS CA C 52.76 0.2 1 799 . 69 CYS CB C 39.24 0.2 1 800 . 69 CYS N N 123.17 0.1 1 801 . 70 ASN H H 8.79 0.02 1 802 . 70 ASN HA H 5.61 0.02 1 803 . 70 ASN HB2 H 2.77 0.02 1 804 . 70 ASN HB3 H 2.77 0.02 1 805 . 70 ASN HD21 H 7.33 0.02 2 806 . 70 ASN HD22 H 7.35 0.02 2 807 . 70 ASN C C 174.54 0.2 1 808 . 70 ASN CA C 51.72 0.2 1 809 . 70 ASN CB C 41.46 0.2 1 810 . 70 ASN N N 122.39 0.1 1 811 . 70 ASN ND2 N 111.58 0.1 1 812 . 71 VAL H H 8.94 0.02 1 813 . 71 VAL HA H 3.56 0.02 1 814 . 71 VAL HB H 2.03 0.02 1 815 . 71 VAL HG1 H 0.83 0.02 1 816 . 71 VAL HG2 H 0.80 0.02 1 817 . 71 VAL C C 174.43 0.2 1 818 . 71 VAL CA C 61.18 0.2 1 819 . 71 VAL CB C 31.42 0.2 1 820 . 71 VAL CG1 C 18.81 0.2 1 821 . 71 VAL CG2 C 21.18 0.2 1 822 . 71 VAL N N 128.25 0.1 1 823 . 72 LYS H H 8.57 0.02 1 824 . 72 LYS HA H 4.33 0.02 1 825 . 72 LYS HB2 H 1.54 0.02 2 826 . 72 LYS HB3 H 1.68 0.02 2 827 . 72 LYS HG2 H 1.29 0.02 1 828 . 72 LYS HG3 H 1.29 0.02 1 829 . 72 LYS HD2 H 1.87 0.02 1 830 . 72 LYS HD3 H 1.87 0.02 1 831 . 72 LYS HE2 H 2.78 0.02 1 832 . 72 LYS HE3 H 2.78 0.02 1 833 . 72 LYS C C 174.62 0.2 1 834 . 72 LYS CA C 53.79 0.2 1 835 . 72 LYS CB C 31.71 0.2 1 836 . 72 LYS CG C 26.18 0.2 1 837 . 72 LYS CD C 27.50 0.2 1 838 . 72 LYS CE C 41.85 0.2 1 839 . 72 LYS N N 128.72 0.1 1 840 . 73 PRO HA H 4.18 0.02 1 841 . 73 PRO HB2 H 1.82 0.02 2 842 . 73 PRO HB3 H 2.29 0.02 2 843 . 73 PRO HG2 H 2.02 0.02 2 844 . 73 PRO HG3 H 2.08 0.02 2 845 . 73 PRO HD2 H 3.64 0.02 2 846 . 73 PRO HD3 H 3.94 0.02 2 847 . 73 PRO C C 177.30 0.2 1 848 . 73 PRO CA C 63.10 0.2 1 849 . 73 PRO CB C 31.12 0.2 1 850 . 73 PRO CG C 26.88 0.2 1 851 . 73 PRO CD C 49.83 0.2 1 852 . 74 ARG H H 8.38 0.02 1 853 . 74 ARG HA H 3.98 0.02 1 854 . 74 ARG HB2 H 2.04 0.02 1 855 . 74 ARG HB3 H 2.04 0.02 1 856 . 74 ARG HG2 H 1.43 0.02 2 857 . 74 ARG HG3 H 1.55 0.02 2 858 . 74 ARG HD2 H 3.21 0.02 1 859 . 74 ARG HD3 H 3.21 0.02 1 860 . 74 ARG HE H 7.17 0.02 1 861 . 74 ARG C C 175.37 0.2 1 862 . 74 ARG CA C 56.16 0.2 1 863 . 74 ARG CB C 27.87 0.2 1 864 . 74 ARG CG C 26.44 0.2 1 865 . 74 ARG CD C 42.43 0.2 1 866 . 74 ARG N N 114.34 0.1 1 867 . 74 ARG NE N 84.06 0.1 1 868 . 75 LYS H H 7.24 0.02 1 869 . 75 LYS HA H 4.68 0.02 1 870 . 75 LYS HB2 H 1.46 0.02 2 871 . 75 LYS HB3 H 1.52 0.02 2 872 . 75 LYS HG2 H 1.23 0.02 1 873 . 75 LYS HG3 H 1.23 0.02 1 874 . 75 LYS HD2 H 1.55 0.02 1 875 . 75 LYS HD3 H 1.55 0.02 1 876 . 75 LYS HE2 H 2.93 0.02 2 877 . 75 LYS HE3 H 2.97 0.02 2 878 . 75 LYS C C 170.50 0.2 1 879 . 75 LYS CA C 51.65 0.2 1 880 . 75 LYS CB C 32.67 0.2 1 881 . 75 LYS CG C 23.76 0.2 1 882 . 75 LYS CD C 28.92 0.2 1 883 . 75 LYS CE C 41.83 0.2 1 884 . 75 LYS N N 120.12 0.1 1 885 . 76 PRO HA H 3.98 0.02 1 886 . 76 PRO HB2 H 1.77 0.02 2 887 . 76 PRO HB3 H 2.18 0.02 2 888 . 76 PRO HG2 H 1.91 0.02 2 889 . 76 PRO HG3 H 2.01 0.02 2 890 . 76 PRO HD2 H 3.43 0.02 2 891 . 76 PRO HD3 H 3.52 0.02 2 892 . 76 PRO C C 177.35 0.2 1 893 . 76 PRO CA C 62.51 0.2 1 894 . 76 PRO CB C 31.05 0.2 1 895 . 76 PRO CG C 26.66 0.2 1 896 . 76 PRO CD C 49.09 0.2 1 897 . 77 CYS H H 8.51 0.02 1 898 . 77 CYS HA H 4.18 0.02 1 899 . 77 CYS HB2 H 2.58 0.02 2 900 . 77 CYS HB3 H 3.86 0.02 2 901 . 77 CYS C C 177.05 0.2 1 902 . 77 CYS CA C 59.26 0.2 1 903 . 77 CYS CB C 44.41 0.2 1 904 . 77 CYS N N 120.28 0.1 1 905 . 78 LYS H H 7.22 0.02 1 906 . 78 LYS HA H 4.74 0.02 1 907 . 78 LYS HB2 H 1.62 0.02 2 908 . 78 LYS HB3 H 1.69 0.02 2 909 . 78 LYS HG2 H 1.23 0.02 1 910 . 78 LYS HG3 H 1.23 0.02 1 911 . 78 LYS HD2 H 1.56 0.02 2 912 . 78 LYS HD3 H 1.77 0.02 2 913 . 78 LYS HE2 H 2.87 0.02 2 914 . 78 LYS HE3 H 2.99 0.02 2 915 . 78 LYS C C 176.31 0.2 1 916 . 78 LYS CA C 52.76 0.2 1 917 . 78 LYS CB C 33.04 0.2 1 918 . 78 LYS CG C 23.10 0.2 1 919 . 78 LYS CD C 26.95 0.2 1 920 . 78 LYS CE C 41.76 0.2 1 921 . 78 LYS N N 116.37 0.1 1 922 . 79 TYR H H 9.42 0.02 1 923 . 79 TYR HA H 4.82 0.02 1 924 . 79 TYR HB2 H 2.60 0.02 1 925 . 79 TYR HB3 H 2.60 0.02 1 926 . 79 TYR HD1 H 6.52 0.02 2 927 . 79 TYR HD2 H 6.78 0.02 2 928 . 79 TYR HE1 H 6.65 0.02 2 929 . 79 TYR HE2 H 7.20 0.02 2 930 . 79 TYR C C 176.34 0.2 1 931 . 79 TYR CA C 58.81 0.2 1 932 . 79 TYR CB C 42.72 0.2 1 933 . 79 TYR CD1 C 131.05 0.2 1 934 . 79 TYR CD2 C 130.50 0.2 1 935 . 79 TYR CE1 C 120.20 0.2 1 936 . 79 TYR CE2 C 124.30 0.2 1 937 . 79 TYR N N 117.54 0.1 1 938 . 80 LYS H H 9.09 0.02 1 939 . 80 LYS HA H 4.61 0.02 1 940 . 80 LYS HB2 H 1.65 0.02 2 941 . 80 LYS HB3 H 1.87 0.02 2 942 . 80 LYS HG2 H 1.28 0.02 2 943 . 80 LYS HG3 H 1.43 0.02 2 944 . 80 LYS HD2 H 1.73 0.02 1 945 . 80 LYS HD3 H 1.73 0.02 1 946 . 80 LYS HE2 H 3.02 0.02 1 947 . 80 LYS HE3 H 3.02 0.02 1 948 . 80 LYS C C 174.86 0.2 1 949 . 80 LYS CA C 54.09 0.2 1 950 . 80 LYS CB C 34.74 0.2 1 951 . 80 LYS CG C 24.21 0.2 1 952 . 80 LYS CD C 28.43 0.2 1 953 . 80 LYS CE C 41.39 0.2 1 954 . 80 LYS N N 121.06 0.1 1 955 . 81 LEU H H 8.48 0.02 1 956 . 81 LEU HA H 5.18 0.02 1 957 . 81 LEU HB2 H 1.58 0.02 2 958 . 81 LEU HB3 H 1.77 0.02 2 959 . 81 LEU HG H 1.28 0.02 1 960 . 81 LEU HD1 H 1.27 0.02 1 961 . 81 LEU HD2 H 0.92 0.02 1 962 . 81 LEU C C 176.20 0.2 1 963 . 81 LEU CA C 53.35 0.2 1 964 . 81 LEU CB C 42.72 0.2 1 965 . 81 LEU CG C 27.18 0.2 1 966 . 81 LEU CD1 C 25.40 0.2 1 967 . 81 LEU CD2 C 22.73 0.2 1 968 . 81 LEU N N 127.36 0.1 1 969 . 82 LYS H H 9.29 0.02 1 970 . 82 LYS HA H 4.74 0.02 1 971 . 82 LYS HB2 H 0.83 0.02 1 972 . 82 LYS HB3 H 0.83 0.02 1 973 . 82 LYS HG2 H 1.29 0.02 2 974 . 82 LYS HG3 H 1.44 0.02 2 975 . 82 LYS HD2 H 1.70 0.02 2 976 . 82 LYS HD3 H 1.72 0.02 2 977 . 82 LYS HE2 H 2.97 0.02 1 978 . 82 LYS HE3 H 2.97 0.02 1 979 . 82 LYS C C 175.96 0.2 1 980 . 82 LYS CA C 54.38 0.2 1 981 . 82 LYS CB C 34.60 0.2 1 982 . 82 LYS CG C 24.21 0.2 1 983 . 82 LYS CD C 27.92 0.2 1 984 . 82 LYS CE C 41.46 0.2 1 985 . 82 LYS N N 129.03 0.1 1 986 . 83 LYS H H 8.94 0.02 1 987 . 83 LYS HA H 5.35 0.02 1 988 . 83 LYS HB2 H 1.17 0.02 2 989 . 83 LYS HB3 H 1.31 0.02 2 990 . 83 LYS HG2 H 0.84 0.02 2 991 . 83 LYS HG3 H 1.03 0.02 2 992 . 83 LYS HD2 H 0.51 0.02 2 993 . 83 LYS HD3 H 0.66 0.02 2 994 . 83 LYS HE2 H 1.86 0.02 1 995 . 83 LYS HE3 H 1.86 0.02 1 996 . 83 LYS C C 175.98 0.2 1 997 . 83 LYS CA C 54.90 0.2 1 998 . 83 LYS CB C 33.18 0.2 1 999 . 83 LYS CG C 24.14 0.2 1 1000 . 83 LYS CD C 27.92 0.2 1 1001 . 83 LYS CE C 40.13 0.2 1 1002 . 83 LYS N N 129.97 0.1 1 1003 . 84 SER H H 9.19 0.02 1 1004 . 84 SER HA H 4.94 0.02 1 1005 . 84 SER HB2 H 4.00 0.02 1 1006 . 84 SER HB3 H 4.00 0.02 1 1007 . 84 SER C C 172.28 0.2 1 1008 . 84 SER CA C 57.56 0.2 1 1009 . 84 SER CB C 64.80 0.2 1 1010 . 84 SER N N 116.21 0.1 1 1011 . 85 SER H H 8.28 0.02 1 1012 . 85 SER HA H 5.79 0.02 1 1013 . 85 SER HB2 H 3.65 0.02 1 1014 . 85 SER HB3 H 3.65 0.02 1 1015 . 85 SER C C 174.04 0.2 1 1016 . 85 SER CA C 56.15 0.2 1 1017 . 85 SER CB C 64.20 0.2 1 1018 . 85 SER N N 113.32 0.1 1 1019 . 86 ASN H H 9.11 0.02 1 1020 . 86 ASN HA H 4.83 0.02 1 1021 . 86 ASN HB2 H 2.67 0.02 2 1022 . 86 ASN HB3 H 2.86 0.02 2 1023 . 86 ASN HD21 H 7.25 0.02 2 1024 . 86 ASN HD22 H 7.68 0.02 2 1025 . 86 ASN C C 175.76 0.2 1 1026 . 86 ASN CA C 51.21 0.2 1 1027 . 86 ASN CB C 41.83 0.2 1 1028 . 86 ASN N N 120.67 0.1 1 1029 . 86 ASN ND2 N 111.97 0.1 1 1030 . 87 ARG H H 9.27 0.02 1 1031 . 87 ARG HA H 4.43 0.02 1 1032 . 87 ARG HB2 H 1.39 0.02 2 1033 . 87 ARG HB3 H 2.08 0.02 2 1034 . 87 ARG HG2 H 1.36 0.02 2 1035 . 87 ARG HG3 H 1.76 0.02 2 1036 . 87 ARG HD2 H 3.30 0.02 1 1037 . 87 ARG HD3 H 3.30 0.02 1 1038 . 87 ARG HE H 7.21 0.02 1 1039 . 87 ARG C C 176.49 0.2 1 1040 . 87 ARG CA C 56.08 0.2 1 1041 . 87 ARG CB C 31.64 0.2 1 1042 . 87 ARG CG C 26.51 0.2 1 1043 . 87 ARG CD C 43.31 0.2 1 1044 . 87 ARG N N 121.29 0.1 1 1045 . 87 ARG NE N 83.86 0.1 1 1046 . 88 ILE H H 8.61 0.02 1 1047 . 88 ILE HA H 4.82 0.02 1 1048 . 88 ILE HB H 1.58 0.02 1 1049 . 88 ILE HG12 H 1.34 0.02 1 1050 . 88 ILE HG13 H 1.34 0.02 1 1051 . 88 ILE HG2 H 1.04 0.02 1 1052 . 88 ILE HD1 H 0.17 0.02 1 1053 . 88 ILE C C 172.23 0.2 1 1054 . 88 ILE CA C 58.74 0.2 1 1055 . 88 ILE CB C 40.94 0.2 1 1056 . 88 ILE CG1 C 23.86 0.2 1 1057 . 88 ILE CG2 C 19.18 0.2 1 1058 . 88 ILE CD1 C 12.67 0.2 1 1059 . 88 ILE N N 111.84 0.1 1 1060 . 89 CYS H H 8.51 0.02 1 1061 . 89 CYS HA H 5.64 0.02 1 1062 . 89 CYS HB2 H 2.00 0.02 2 1063 . 89 CYS HB3 H 3.01 0.02 2 1064 . 89 CYS C C 173.70 0.2 1 1065 . 89 CYS CA C 53.79 0.2 1 1066 . 89 CYS CB C 45.52 0.2 1 1067 . 89 CYS N N 122.70 0.1 1 1068 . 90 ILE H H 9.02 0.02 1 1069 . 90 ILE HA H 4.56 0.02 1 1070 . 90 ILE HB H 1.75 0.02 1 1071 . 90 ILE HG12 H 1.05 0.02 2 1072 . 90 ILE HG13 H 1.19 0.02 2 1073 . 90 ILE HG2 H 0.72 0.02 1 1074 . 90 ILE HD1 H 0.64 0.02 1 1075 . 90 ILE C C 173.11 0.2 1 1076 . 90 ILE CA C 56.67 0.2 1 1077 . 90 ILE CB C 40.28 0.2 1 1078 . 90 ILE CG1 C 25.03 0.2 1 1079 . 90 ILE CG2 C 17.26 0.2 1 1080 . 90 ILE CD1 C 12.81 0.2 1 1081 . 90 ILE N N 125.82 0.1 1 1082 . 91 ARG H H 8.59 0.02 1 1083 . 91 ARG HA H 5.04 0.02 1 1084 . 91 ARG HB2 H 1.78 0.02 2 1085 . 91 ARG HB3 H 1.84 0.02 2 1086 . 91 ARG HG2 H 1.43 0.02 1 1087 . 91 ARG HG3 H 1.43 0.02 1 1088 . 91 ARG HD2 H 3.09 0.02 1 1089 . 91 ARG HD3 H 3.09 0.02 1 1090 . 91 ARG HE H 7.16 0.02 1 1091 . 91 ARG C C 175.02 0.2 1 1092 . 91 ARG CA C 54.45 0.2 1 1093 . 91 ARG CB C 31.42 0.2 1 1094 . 91 ARG CG C 26.88 0.2 1 1095 . 91 ARG CD C 42.20 0.2 1 1096 . 91 ARG N N 122.93 0.1 1 1097 . 91 ARG NE N 83.57 0.1 1 1098 . 92 CYS H H 9.01 0.02 1 1099 . 92 CYS HA H 5.23 0.02 1 1100 . 92 CYS HB2 H 2.52 0.02 2 1101 . 92 CYS HB3 H 2.71 0.02 2 1102 . 92 CYS C C 173.94 0.2 1 1103 . 92 CYS CA C 52.24 0.2 1 1104 . 92 CYS CB C 39.39 0.2 1 1105 . 92 CYS N N 127.86 0.1 1 1106 . 93 GLU H H 9.00 0.02 1 1107 . 93 GLU HA H 4.46 0.02 1 1108 . 93 GLU HB2 H 1.83 0.02 1 1109 . 93 GLU HB3 H 1.83 0.02 1 1110 . 93 GLU HG2 H 1.94 0.02 2 1111 . 93 GLU HG3 H 2.09 0.02 2 1112 . 93 GLU C C 176.70 0.2 1 1113 . 93 GLU CA C 55.34 0.2 1 1114 . 93 GLU CB C 32.45 0.2 1 1115 . 93 GLU CG C 35.17 0.2 1 1116 . 93 GLU N N 118.79 0.1 1 1117 . 94 HIS H H 9.55 0.02 1 1118 . 94 HIS HA H 4.18 0.02 1 1119 . 94 HIS HB2 H 3.31 0.02 2 1120 . 94 HIS HB3 H 3.41 0.02 2 1121 . 94 HIS HD2 H 7.36 0.02 1 1122 . 94 HIS HE1 H 8.61 0.02 1 1123 . 94 HIS C C 173.27 0.2 1 1124 . 94 HIS CA C 55.64 0.2 1 1125 . 94 HIS CB C 25.80 0.2 1 1126 . 94 HIS CD2 C 119.63 0.2 1 1127 . 94 HIS CE1 C 136.29 0.2 1 1128 . 94 HIS N N 125.75 0.1 1 1129 . 95 GLU H H 8.47 0.02 1 1130 . 95 GLU HA H 3.84 0.02 1 1131 . 95 GLU HB2 H 2.02 0.02 2 1132 . 95 GLU HB3 H 2.22 0.02 2 1133 . 95 GLU HG2 H 1.81 0.02 1 1134 . 95 GLU HG3 H 1.81 0.02 1 1135 . 95 GLU C C 174.48 0.2 1 1136 . 95 GLU CA C 57.12 0.2 1 1137 . 95 GLU CB C 27.43 0.2 1 1138 . 95 GLU CG C 37.54 0.2 1 1139 . 95 GLU N N 105.12 0.1 1 1140 . 96 LEU H H 7.46 0.02 1 1141 . 96 LEU HA H 4.63 0.02 1 1142 . 96 LEU HB2 H 1.58 0.02 1 1143 . 96 LEU HB3 H 1.58 0.02 1 1144 . 96 LEU HG H 1.45 0.02 1 1145 . 96 LEU HD1 H 0.89 0.02 1 1146 . 96 LEU HD2 H 0.24 0.02 1 1147 . 96 LEU C C 172.86 0.2 1 1148 . 96 LEU CA C 50.25 0.2 1 1149 . 96 LEU CB C 44.71 0.2 1 1150 . 96 LEU CG C 25.21 0.2 1 1151 . 96 LEU CD1 C 25.03 0.2 1 1152 . 96 LEU CD2 C 22.49 0.2 1 1153 . 96 LEU N N 117.46 0.1 1 1154 . 97 PRO HA H 4.22 0.02 1 1155 . 97 PRO HB2 H 1.02 0.02 2 1156 . 97 PRO HB3 H 1.08 0.02 2 1157 . 97 PRO HG2 H 1.33 0.02 2 1158 . 97 PRO HG3 H 1.48 0.02 2 1159 . 97 PRO HD2 H 2.50 0.02 2 1160 . 97 PRO HD3 H 3.03 0.02 2 1161 . 97 PRO C C 176.27 0.2 1 1162 . 97 PRO CA C 61.47 0.2 1 1163 . 97 PRO CB C 30.09 0.2 1 1164 . 97 PRO CG C 27.10 0.2 1 1165 . 97 PRO CD C 49.46 0.2 1 1166 . 98 VAL H H 8.51 0.02 1 1167 . 98 VAL HA H 4.64 0.02 1 1168 . 98 VAL HB H 2.12 0.02 1 1169 . 98 VAL HG1 H 0.70 0.02 1 1170 . 98 VAL HG2 H 0.98 0.02 1 1171 . 98 VAL C C 176.37 0.2 1 1172 . 98 VAL CA C 59.85 0.2 1 1173 . 98 VAL CB C 33.51 0.2 1 1174 . 98 VAL CG1 C 17.55 0.2 1 1175 . 98 VAL CG2 C 21.40 0.2 1 1176 . 98 VAL N N 109.89 0.1 1 1177 . 99 HIS H H 7.47 0.02 1 1178 . 99 HIS HA H 5.61 0.02 1 1179 . 99 HIS HB2 H 2.88 0.02 2 1180 . 99 HIS HB3 H 3.39 0.02 2 1181 . 99 HIS HD2 H 6.94 0.02 1 1182 . 99 HIS HE1 H 8.63 0.02 1 1183 . 99 HIS C C 172.80 0.2 1 1184 . 99 HIS CA C 53.94 0.2 1 1185 . 99 HIS CB C 31.64 0.2 1 1186 . 99 HIS CD2 C 120.74 0.2 1 1187 . 99 HIS CE1 C 138.11 0.2 1 1188 . 99 HIS N N 117.46 0.1 1 1189 . 100 PHE H H 9.44 0.02 1 1190 . 100 PHE HA H 4.27 0.02 1 1191 . 100 PHE HB2 H 1.66 0.02 2 1192 . 100 PHE HB3 H 2.63 0.02 2 1193 . 100 PHE HD1 H 6.79 0.02 1 1194 . 100 PHE HD2 H 6.79 0.02 1 1195 . 100 PHE HE1 H 6.66 0.02 1 1196 . 100 PHE HE2 H 6.66 0.02 1 1197 . 100 PHE C C 172.53 0.2 1 1198 . 100 PHE CA C 57.83 0.2 1 1199 . 100 PHE CB C 37.02 0.2 1 1200 . 100 PHE CD1 C 132.67 0.2 1 1201 . 100 PHE CD2 C 132.67 0.2 1 1202 . 100 PHE CE1 C 132.67 0.2 1 1203 . 100 PHE CE2 C 132.67 0.2 1 1204 . 100 PHE N N 130.95 0.1 1 1205 . 101 ALA H H 7.91 0.02 1 1206 . 101 ALA HA H 4.22 0.02 1 1207 . 101 ALA HB H 0.99 0.02 1 1208 . 101 ALA C C 176.69 0.2 1 1209 . 101 ALA CA C 51.82 0.2 1 1210 . 101 ALA CB C 20.19 0.2 1 1211 . 101 ALA N N 130.28 0.1 1 1212 . 102 GLY H H 6.77 0.02 1 1213 . 102 GLY HA2 H 3.92 0.02 2 1214 . 102 GLY HA3 H 4.25 0.02 2 1215 . 102 GLY C C 170.08 0.2 1 1216 . 102 GLY CA C 44.78 0.2 1 1217 . 102 GLY N N 103.71 0.1 1 1218 . 103 VAL H H 8.34 0.02 1 1219 . 103 VAL HA H 4.35 0.02 1 1220 . 103 VAL HB H 2.02 0.02 1 1221 . 103 VAL HG1 H 1.11 0.02 1 1222 . 103 VAL HG2 H 0.99 0.02 1 1223 . 103 VAL C C 177.32 0.2 1 1224 . 103 VAL CA C 60.66 0.2 1 1225 . 103 VAL CB C 33.26 0.2 1 1226 . 103 VAL CG1 C 20.66 0.2 1 1227 . 103 VAL CG2 C 21.25 0.2 1 1228 . 103 VAL N N 117.23 0.1 1 1229 . 104 GLY H H 8.58 0.02 1 1230 . 104 GLY HA2 H 3.30 0.02 2 1231 . 104 GLY HA3 H 4.31 0.02 2 1232 . 104 GLY C C 172.15 0.2 1 1233 . 104 GLY CA C 46.26 0.2 1 1234 . 104 GLY N N 115.59 0.1 1 1235 . 105 ILE H H 7.45 0.02 1 1236 . 105 ILE HA H 4.31 0.02 1 1237 . 105 ILE HB H 1.81 0.02 1 1238 . 105 ILE HG12 H 1.17 0.02 1 1239 . 105 ILE HG13 H 1.17 0.02 1 1240 . 105 ILE HG2 H 0.81 0.02 1 1241 . 105 ILE HD1 H 0.85 0.02 1 1242 . 105 ILE C C 174.25 0.2 1 1243 . 105 ILE CA C 59.18 0.2 1 1244 . 105 ILE CB C 41.31 0.2 1 1245 . 105 ILE CG1 C 26.29 0.2 1 1246 . 105 ILE CG2 C 16.29 0.2 1 1247 . 105 ILE CD1 C 13.11 0.2 1 1248 . 105 ILE N N 116.06 0.1 1 1249 . 106 CYS H H 8.26 0.02 1 1250 . 106 CYS HA H 4.92 0.02 1 1251 . 106 CYS HB2 H 1.71 0.02 2 1252 . 106 CYS HB3 H 3.11 0.02 2 1253 . 106 CYS C C 172.35 0.2 1 1254 . 106 CYS CA C 50.69 0.2 1 1255 . 106 CYS CB C 39.24 0.2 1 1256 . 106 CYS N N 119.96 0.1 1 1257 . 107 PRO HA H 4.18 0.02 1 1258 . 107 PRO HB2 H 2.28 0.02 1 1259 . 107 PRO HB3 H 2.28 0.02 1 1260 . 107 PRO HG2 H 2.02 0.02 2 1261 . 107 PRO HG3 H 2.08 0.02 2 1262 . 107 PRO HD2 H 3.63 0.02 2 1263 . 107 PRO HD3 H 3.93 0.02 2 1264 . 107 PRO CA C 63.58 0.2 1 1265 . 107 PRO CB C 31.27 0.2 1 1266 . 107 PRO CG C 27.46 0.2 1 1267 . 107 PRO CD C 50.25 0.2 1 stop_ save_