data_15403 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Simian Foamy Virus (mac) protease structure ; _BMRB_accession_number 15403 _BMRB_flat_file_name bmr15403.str _Entry_type original _Submission_date 2007-07-23 _Accession_date 2007-07-23 _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 Hartl Maximilian . . 2 Schweimer Kristian . . 3 Woehrl Birgitta . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 578 "13C chemical shifts" 442 "15N chemical shifts" 94 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-12 update BMRB 'corrected entry citation' 2008-01-30 update BMRB 'complete entry citation' 2007-09-24 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Sequence-specific (1)H, (13)C and (15)N resonance assignments and secondary structure of a truncated protease from Simian Foamy Virus' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636858 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hartl Maximilian J. . 2 Wohrl Birgitta M. . 3 Schweimer Kristian . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 1 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 175 _Page_last 177 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'SFVmac Pol 1-101 6His' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SFVmac Pol 1-101 6His' $SFVmac_Pol_1-101_6His stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SFVmac_Pol_1-101_6His _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SFVmac_Pol_1-101_6His _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 107 _Mol_residue_sequence ; MDPLQLLQPLEAEIKGTKLK AHWDSGATITCVPEAFLEDE RPIQTMLIKTIHGEKQQDVY YLTFKVQGRKVEAEVLASPY DYILLNPSDVPWLMKKPLQL THHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 PRO 4 LEU 5 GLN 6 LEU 7 LEU 8 GLN 9 PRO 10 LEU 11 GLU 12 ALA 13 GLU 14 ILE 15 LYS 16 GLY 17 THR 18 LYS 19 LEU 20 LYS 21 ALA 22 HIS 23 TRP 24 ASP 25 SER 26 GLY 27 ALA 28 THR 29 ILE 30 THR 31 CYS 32 VAL 33 PRO 34 GLU 35 ALA 36 PHE 37 LEU 38 GLU 39 ASP 40 GLU 41 ARG 42 PRO 43 ILE 44 GLN 45 THR 46 MET 47 LEU 48 ILE 49 LYS 50 THR 51 ILE 52 HIS 53 GLY 54 GLU 55 LYS 56 GLN 57 GLN 58 ASP 59 VAL 60 TYR 61 TYR 62 LEU 63 THR 64 PHE 65 LYS 66 VAL 67 GLN 68 GLY 69 ARG 70 LYS 71 VAL 72 GLU 73 ALA 74 GLU 75 VAL 76 LEU 77 ALA 78 SER 79 PRO 80 TYR 81 ASP 82 TYR 83 ILE 84 LEU 85 LEU 86 ASN 87 PRO 88 SER 89 ASP 90 VAL 91 PRO 92 TRP 93 LEU 94 MET 95 LYS 96 LYS 97 PRO 98 LEU 99 GLN 100 LEU 101 THR 102 HIS 103 HIS 104 HIS 105 HIS 106 HIS 107 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 2JYS "Solution Structure Of Simian Foamy Virus (Mac) Protease" 100.00 107 100.00 100.00 9.61e-72 EMBL CAA41394 "pol [Simian foamy virus]" 94.39 970 100.00 100.00 2.15e-60 GB AGM61336 "pol protein [Macaque simian foamy virus]" 94.39 1149 99.01 100.00 1.79e-59 PIR S18738 "pol protein - simian foamy virus (fragment)" 94.39 1161 100.00 100.00 3.56e-60 REF YP_001961122 "Pol [Macaque simian foamy virus]" 94.39 1149 100.00 100.00 3.68e-60 SP P23074 "RecName: Full=Pro-Pol polyprotein; AltName: Full=Pr125Pol; Contains: RecName: Full=Protease/Reverse transcriptase/ribonuclease " 94.39 1149 100.00 100.00 3.68e-60 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SFVmac_Pol_1-101_6His 'simian foamy virus' 11642 Viruses . Spumavirus 'simian foamy virus' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $SFVmac_Pol_1-101_6His 'recombinant technology' . Escherichia coli 'rosetta DE3' pET28c 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 $SFVmac_Pol_1-101_6His 1 mM '[U-100% 13C; U-100% 15N]' 'phosphate buffer 7.4' 50 mM . NaCl 100 mM . DTT . mM . stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details 'equipped with CryoProbe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 7.4 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl carbons' ppm 0.0 na indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 external direct . . . 1.0 $entry_citation $entry_citation 'liquid anhydrous ammonia' N 15 nitrogen ppm 0.0 na indirect . . . 1.0 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'SFVmac Pol 1-101 6His' _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 3 3 PRO HA H 4.28 0.03 1 2 3 3 PRO HB2 H 1.91 0.03 2 3 3 3 PRO HB3 H 2.32 0.03 2 4 3 3 PRO HD2 H 3.83 0.03 2 5 3 3 PRO HD3 H 3.92 0.03 2 6 3 3 PRO HG2 H 2.03 0.03 2 7 3 3 PRO HG3 H 2.03 0.03 2 8 3 3 PRO C C 177.75 0.3 1 9 3 3 PRO CA C 64.15 0.3 1 10 3 3 PRO CB C 32.17 0.3 1 11 3 3 PRO CD C 50.96 0.3 1 12 3 3 PRO CG C 27.39 0.3 1 13 4 4 LEU H H 8.36 0.03 1 14 4 4 LEU HA H 4.20 0.03 1 15 4 4 LEU HB2 H 1.51 0.03 2 16 4 4 LEU HB3 H 1.71 0.03 2 17 4 4 LEU HD1 H 0.90 0.03 2 18 4 4 LEU HD2 H 0.82 0.03 2 19 4 4 LEU HG H 1.61 0.03 1 20 4 4 LEU C C 178.43 0.3 1 21 4 4 LEU CA C 56.10 0.3 1 22 4 4 LEU CB C 41.47 0.3 1 23 4 4 LEU CD1 C 24.79 0.3 2 24 4 4 LEU CD2 C 23.38 0.3 2 25 4 4 LEU CG C 27.26 0.3 1 26 4 4 LEU N N 119.39 0.1 1 27 5 5 GLN H H 8.06 0.03 1 28 5 5 GLN HA H 4.23 0.03 1 29 5 5 GLN HB2 H 2.05 0.03 2 30 5 5 GLN HB3 H 2.13 0.03 2 31 5 5 GLN HG2 H 2.35 0.03 2 32 5 5 GLN HG3 H 2.40 0.03 2 33 5 5 GLN C C 176.43 0.3 1 34 5 5 GLN CA C 56.44 0.3 1 35 5 5 GLN CB C 29.13 0.3 1 36 5 5 GLN CG C 33.97 0.3 1 37 5 5 GLN N N 119.02 0.1 1 38 6 6 LEU H H 7.79 0.03 1 39 6 6 LEU HA H 4.18 0.03 1 40 6 6 LEU HB2 H 1.32 0.03 2 41 6 6 LEU HB3 H 1.46 0.03 2 42 6 6 LEU HD1 H 0.50 0.03 2 43 6 6 LEU HD2 H 0.44 0.03 2 44 6 6 LEU HG H 1.34 0.03 1 45 6 6 LEU C C 176.98 0.3 1 46 6 6 LEU CA C 55.34 0.3 1 47 6 6 LEU CB C 41.64 0.3 1 48 6 6 LEU CD1 C 24.58 0.3 2 49 6 6 LEU CD2 C 23.17 0.3 2 50 6 6 LEU CG C 26.52 0.3 1 51 6 6 LEU N N 120.65 0.1 1 52 7 7 LEU H H 7.82 0.03 1 53 7 7 LEU HA H 4.40 0.03 1 54 7 7 LEU HB2 H 1.60 0.03 2 55 7 7 LEU HB3 H 1.71 0.03 2 56 7 7 LEU HD1 H 0.89 0.03 2 57 7 7 LEU HD2 H 0.82 0.03 2 58 7 7 LEU HG H 1.61 0.03 1 59 7 7 LEU C C 177.04 0.3 1 60 7 7 LEU CA C 55.00 0.3 1 61 7 7 LEU CB C 42.39 0.3 1 62 7 7 LEU CD1 C 25.19 0.3 2 63 7 7 LEU CD2 C 23.05 0.3 2 64 7 7 LEU CG C 26.88 0.3 1 65 7 7 LEU N N 119.89 0.1 1 66 8 8 GLN H H 8.13 0.03 1 67 8 8 GLN HA H 4.66 0.03 1 68 8 8 GLN HB2 H 1.99 0.03 2 69 8 8 GLN HB3 H 2.16 0.03 2 70 8 8 GLN HG2 H 2.41 0.03 2 71 8 8 GLN HG3 H 2.41 0.03 2 72 8 8 GLN CA C 53.57 0.3 1 73 8 8 GLN CB C 28.88 0.3 1 74 8 8 GLN CG C 33.56 0.3 1 75 8 8 GLN N N 120.56 0.1 1 76 9 9 PRO HA H 4.41 0.03 1 77 9 9 PRO HB2 H 1.79 0.03 2 78 9 9 PRO HB3 H 1.93 0.03 2 79 9 9 PRO HD2 H 3.66 0.03 2 80 9 9 PRO HD3 H 3.75 0.03 2 81 9 9 PRO HG2 H 1.86 0.03 2 82 9 9 PRO HG3 H 2.07 0.03 2 83 9 9 PRO C C 176.46 0.3 1 84 9 9 PRO CA C 63.03 0.3 1 85 9 9 PRO CB C 32.21 0.3 1 86 9 9 PRO CD C 50.52 0.3 1 87 9 9 PRO CG C 27.30 0.3 1 88 10 10 LEU H H 9.19 0.03 1 89 10 10 LEU HA H 4.64 0.03 1 90 10 10 LEU HB2 H 1.50 0.03 2 91 10 10 LEU HB3 H 1.69 0.03 2 92 10 10 LEU HD1 H 0.89 0.03 2 93 10 10 LEU HD2 H 0.80 0.03 2 94 10 10 LEU HG H 1.90 0.03 1 95 10 10 LEU C C 176.62 0.3 1 96 10 10 LEU CA C 53.42 0.3 1 97 10 10 LEU CB C 44.29 0.3 1 98 10 10 LEU CD1 C 23.69 0.3 2 99 10 10 LEU CD2 C 23.69 0.3 2 100 10 10 LEU CG C 26.43 0.3 1 101 10 10 LEU N N 123.06 0.1 1 102 11 11 GLU H H 8.72 0.03 1 103 11 11 GLU HA H 4.49 0.03 1 104 11 11 GLU HB2 H 2.01 0.03 2 105 11 11 GLU HB3 H 2.17 0.03 2 106 11 11 GLU HG2 H 2.29 0.03 2 107 11 11 GLU HG3 H 2.41 0.03 2 108 11 11 GLU C C 176.62 0.3 1 109 11 11 GLU CA C 57.06 0.3 1 110 11 11 GLU CB C 30.82 0.3 1 111 11 11 GLU CG C 36.68 0.3 1 112 11 11 GLU N N 121.33 0.1 1 113 12 12 ALA H H 8.76 0.03 1 114 12 12 ALA HA H 5.39 0.03 1 115 12 12 ALA HB H 1.37 0.03 1 116 12 12 ALA C C 176.04 0.3 1 117 12 12 ALA CA C 50.35 0.3 1 118 12 12 ALA CB C 24.49 0.3 1 119 12 12 ALA N N 127.01 0.1 1 120 13 13 GLU H H 8.85 0.03 1 121 13 13 GLU HA H 5.24 0.03 1 122 13 13 GLU HB2 H 1.76 0.03 2 123 13 13 GLU HB3 H 1.84 0.03 2 124 13 13 GLU HG2 H 2.27 0.03 2 125 13 13 GLU HG3 H 2.58 0.03 2 126 13 13 GLU C C 175.32 0.3 1 127 13 13 GLU CA C 55.58 0.3 1 128 13 13 GLU CB C 34.41 0.3 1 129 13 13 GLU CG C 36.49 0.3 1 130 13 13 GLU N N 119.98 0.1 1 131 14 14 ILE H H 8.42 0.03 1 132 14 14 ILE HA H 4.21 0.03 1 133 14 14 ILE HB H 0.61 0.03 1 134 14 14 ILE HD1 H -0.00 0.03 1 135 14 14 ILE HG12 H 0.56 0.03 2 136 14 14 ILE HG13 H 1.16 0.03 2 137 14 14 ILE HG2 H 0.56 0.03 1 138 14 14 ILE C C 174.52 0.3 1 139 14 14 ILE CA C 61.00 0.3 1 140 14 14 ILE CB C 40.43 0.3 1 141 14 14 ILE CD1 C 13.98 0.3 1 142 14 14 ILE CG1 C 26.63 0.3 1 143 14 14 ILE CG2 C 18.33 0.3 1 144 14 14 ILE N N 123.99 0.1 1 145 15 15 LYS H H 9.59 0.03 1 146 15 15 LYS HA H 3.88 0.03 1 147 15 15 LYS HB2 H 1.91 0.03 2 148 15 15 LYS HB3 H 2.27 0.03 2 149 15 15 LYS HD2 H 1.61 0.03 2 150 15 15 LYS HD3 H 1.61 0.03 2 151 15 15 LYS HE2 H 3.03 0.03 2 152 15 15 LYS HE3 H 3.12 0.03 2 153 15 15 LYS HG2 H 1.87 0.03 2 154 15 15 LYS HG3 H 1.87 0.03 2 155 15 15 LYS C C 176.88 0.3 1 156 15 15 LYS CA C 57.89 0.3 1 157 15 15 LYS CB C 30.55 0.3 1 158 15 15 LYS CD C 26.75 0.3 1 159 15 15 LYS CE C 43.01 0.3 1 160 15 15 LYS CG C 23.60 0.3 1 161 15 15 LYS N N 124.93 0.1 1 162 16 16 GLY H H 8.73 0.03 1 163 16 16 GLY HA2 H 3.67 0.03 2 164 16 16 GLY HA3 H 4.23 0.03 2 165 16 16 GLY C C 174.36 0.3 1 166 16 16 GLY CA C 45.54 0.3 1 167 16 16 GLY N N 104.58 0.1 1 168 17 17 THR H H 8.40 0.03 1 169 17 17 THR HA H 4.49 0.03 1 170 17 17 THR HB H 4.44 0.03 1 171 17 17 THR HG2 H 1.47 0.03 1 172 17 17 THR C C 172.97 0.3 1 173 17 17 THR CA C 62.58 0.3 1 174 17 17 THR CB C 70.32 0.3 1 175 17 17 THR CG2 C 22.09 0.3 1 176 17 17 THR N N 120.07 0.1 1 177 18 18 LYS H H 8.75 0.03 1 178 18 18 LYS HA H 4.92 0.03 1 179 18 18 LYS HB2 H 1.85 0.03 2 180 18 18 LYS HB3 H 2.00 0.03 2 181 18 18 LYS HD2 H 1.71 0.03 2 182 18 18 LYS HD3 H 1.71 0.03 2 183 18 18 LYS HE2 H 2.97 0.03 2 184 18 18 LYS HE3 H 3.00 0.03 2 185 18 18 LYS HG2 H 1.47 0.03 2 186 18 18 LYS HG3 H 1.62 0.03 2 187 18 18 LYS C C 175.86 0.3 1 188 18 18 LYS CA C 56.35 0.3 1 189 18 18 LYS CB C 32.94 0.3 1 190 18 18 LYS CD C 29.05 0.3 1 191 18 18 LYS CE C 42.24 0.3 1 192 18 18 LYS CG C 25.48 0.3 1 193 18 18 LYS N N 127.27 0.1 1 194 19 19 LEU H H 8.75 0.03 1 195 19 19 LEU HA H 4.85 0.03 1 196 19 19 LEU HB2 H 1.83 0.03 2 197 19 19 LEU HB3 H 2.00 0.03 2 198 19 19 LEU HD1 H 0.75 0.03 2 199 19 19 LEU HD2 H 0.75 0.03 2 200 19 19 LEU HG H 1.62 0.03 1 201 19 19 LEU C C 174.21 0.3 1 202 19 19 LEU CA C 55.16 0.3 1 203 19 19 LEU CB C 43.34 0.3 1 204 19 19 LEU CD1 C 24.82 0.3 2 205 19 19 LEU CD2 C 24.82 0.3 2 206 19 19 LEU CG C 28.16 0.3 1 207 19 19 LEU N N 123.47 0.1 1 208 20 20 LYS H H 8.66 0.03 1 209 20 20 LYS HA H 5.18 0.03 1 210 20 20 LYS HB2 H 1.62 0.03 2 211 20 20 LYS HB3 H 1.99 0.03 2 212 20 20 LYS HD2 H 1.51 0.03 2 213 20 20 LYS HD3 H 1.71 0.03 2 214 20 20 LYS HE2 H 2.99 0.03 2 215 20 20 LYS HE3 H 2.99 0.03 2 216 20 20 LYS HG2 H 1.51 0.03 2 217 20 20 LYS HG3 H 1.59 0.03 2 218 20 20 LYS C C 175.65 0.3 1 219 20 20 LYS CA C 54.63 0.3 1 220 20 20 LYS CB C 34.71 0.3 1 221 20 20 LYS CD C 28.68 0.3 1 222 20 20 LYS CE C 42.31 0.3 1 223 20 20 LYS CG C 25.09 0.3 1 224 20 20 LYS N N 118.32 0.1 1 225 21 21 ALA H H 8.86 0.03 1 226 21 21 ALA HA H 5.47 0.03 1 227 21 21 ALA HB H 1.22 0.03 1 228 21 21 ALA C C 174.74 0.3 1 229 21 21 ALA CA C 49.51 0.3 1 230 21 21 ALA CB C 22.99 0.3 1 231 21 21 ALA N N 120.46 0.1 1 232 22 22 HIS H H 9.14 0.03 1 233 22 22 HIS HA H 5.07 0.03 1 234 22 22 HIS HB2 H 2.87 0.03 2 235 22 22 HIS HB3 H 3.02 0.03 2 236 22 22 HIS HD2 H 6.26 0.03 1 237 22 22 HIS HE1 H 7.42 0.03 1 238 22 22 HIS C C 174.31 0.3 1 239 22 22 HIS CA C 54.04 0.3 1 240 22 22 HIS CB C 32.39 0.3 1 241 22 22 HIS CD2 C 119.92 0.3 1 242 22 22 HIS N N 119.89 0.1 1 243 23 23 TRP H H 9.16 0.03 1 244 23 23 TRP HA H 4.36 0.03 1 245 23 23 TRP HB2 H 2.83 0.03 2 246 23 23 TRP HB3 H 3.25 0.03 2 247 23 23 TRP HD1 H 6.84 0.03 1 248 23 23 TRP HE1 H 10.45 0.03 1 249 23 23 TRP HE3 H 7.38 0.03 1 250 23 23 TRP HH2 H 7.12 0.03 1 251 23 23 TRP HZ2 H 7.41 0.03 1 252 23 23 TRP HZ3 H 7.05 0.03 1 253 23 23 TRP C C 175.07 0.3 1 254 23 23 TRP CA C 59.16 0.3 1 255 23 23 TRP CB C 30.71 0.3 1 256 23 23 TRP CD1 C 126.31 0.3 1 257 23 23 TRP CE3 C 120.52 0.3 1 258 23 23 TRP CH2 C 124.40 0.3 1 259 23 23 TRP CZ2 C 114.48 0.3 1 260 23 23 TRP CZ3 C 122.08 0.3 1 261 23 23 TRP N N 126.61 0.1 1 262 23 23 TRP NE1 N 129.34 0.1 1 263 24 24 ASP H H 7.72 0.03 1 264 24 24 ASP HA H 4.88 0.03 1 265 24 24 ASP HB2 H 2.34 0.03 2 266 24 24 ASP HB3 H 2.70 0.03 2 267 24 24 ASP C C 175.34 0.3 1 268 24 24 ASP CA C 53.03 0.3 1 269 24 24 ASP CB C 43.51 0.3 1 270 24 24 ASP N N 126.75 0.1 1 271 25 25 SER H H 8.49 0.03 1 272 25 25 SER HA H 3.58 0.03 1 273 25 25 SER HB2 H 3.90 0.03 2 274 25 25 SER HB3 H 3.96 0.03 2 275 25 25 SER C C 175.34 0.3 1 276 25 25 SER CA C 60.64 0.3 1 277 25 25 SER CB C 62.99 0.3 1 278 25 25 SER N N 119.22 0.1 1 279 26 26 GLY H H 8.67 0.03 1 280 26 26 GLY HA2 H 3.63 0.03 2 281 26 26 GLY HA3 H 4.20 0.03 2 282 26 26 GLY C C 174.19 0.3 1 283 26 26 GLY CA C 44.76 0.3 1 284 26 26 GLY N N 109.29 0.1 1 285 27 27 ALA H H 7.55 0.03 1 286 27 27 ALA HA H 4.37 0.03 1 287 27 27 ALA HB H 1.34 0.03 1 288 27 27 ALA C C 178.43 0.3 1 289 27 27 ALA CA C 52.24 0.3 1 290 27 27 ALA CB C 18.24 0.3 1 291 27 27 ALA N N 124.84 0.1 1 292 28 28 THR H H 8.26 0.03 1 293 28 28 THR HA H 4.23 0.03 1 294 28 28 THR HB H 4.34 0.03 1 295 28 28 THR HG2 H 1.22 0.03 1 296 28 28 THR C C 173.83 0.3 1 297 28 28 THR CA C 62.18 0.3 1 298 28 28 THR CB C 69.24 0.3 1 299 28 28 THR N N 112.48 0.1 1 300 29 29 ILE H H 7.46 0.03 1 301 29 29 ILE HA H 4.54 0.03 1 302 29 29 ILE HB H 1.81 0.03 1 303 29 29 ILE HD1 H 0.85 0.03 1 304 29 29 ILE HG12 H 1.41 0.03 2 305 29 29 ILE HG13 H 1.75 0.03 2 306 29 29 ILE HG2 H 0.85 0.03 1 307 29 29 ILE C C 173.44 0.3 1 308 29 29 ILE CA C 60.54 0.3 1 309 29 29 ILE CB C 40.78 0.3 1 310 29 29 ILE CD1 C 14.41 0.3 1 311 29 29 ILE CG1 C 28.58 0.3 1 312 29 29 ILE CG2 C 15.89 0.3 1 313 29 29 ILE N N 118.82 0.1 1 314 30 30 THR H H 9.38 0.03 1 315 30 30 THR HA H 4.87 0.03 1 316 30 30 THR HB H 4.31 0.03 1 317 30 30 THR HG2 H 1.15 0.03 1 318 30 30 THR C C 173.60 0.3 1 319 30 30 THR CA C 64.28 0.3 1 320 30 30 THR CB C 69.84 0.3 1 321 30 30 THR N N 129.29 0.1 1 322 31 31 CYS H H 9.18 0.03 1 323 31 31 CYS HA H 5.53 0.03 1 324 31 31 CYS HB2 H 2.63 0.03 2 325 31 31 CYS HB3 H 3.01 0.03 2 326 31 31 CYS C C 174.42 0.3 1 327 31 31 CYS CA C 56.54 0.3 1 328 31 31 CYS CB C 30.78 0.3 1 329 31 31 CYS N N 122.22 0.1 1 330 32 32 VAL H H 9.09 0.03 1 331 32 32 VAL HA H 4.71 0.03 1 332 32 32 VAL HB H 1.63 0.03 1 333 32 32 VAL HG1 H 0.52 0.03 2 334 32 32 VAL HG2 H 0.40 0.03 2 335 32 32 VAL CA C 57.30 0.3 1 336 32 32 VAL CB C 32.86 0.3 1 337 32 32 VAL CG1 C 19.32 0.3 2 338 32 32 VAL CG2 C 20.54 0.3 2 339 32 32 VAL N N 117.89 0.1 1 340 33 33 PRO HA H 4.53 0.03 1 341 33 33 PRO HB2 H 2.05 0.03 2 342 33 33 PRO HB3 H 2.68 0.03 2 343 33 33 PRO HD2 H 3.13 0.03 2 344 33 33 PRO HD3 H 3.35 0.03 2 345 33 33 PRO HG2 H 1.82 0.03 2 346 33 33 PRO HG3 H 1.86 0.03 2 347 33 33 PRO C C 178.11 0.3 1 348 33 33 PRO CA C 64.14 0.3 1 349 33 33 PRO CB C 32.20 0.3 1 350 33 33 PRO CD C 50.77 0.3 1 351 33 33 PRO CG C 27.28 0.3 1 352 34 34 GLU H H 8.38 0.03 1 353 34 34 GLU HA H 3.73 0.03 1 354 34 34 GLU HB2 H 1.94 0.03 2 355 34 34 GLU HB3 H 2.02 0.03 2 356 34 34 GLU HG2 H 2.14 0.03 2 357 34 34 GLU HG3 H 2.29 0.03 2 358 34 34 GLU C C 177.83 0.3 1 359 34 34 GLU CA C 59.48 0.3 1 360 34 34 GLU CB C 29.86 0.3 1 361 34 34 GLU CG C 34.75 0.3 1 362 34 34 GLU N N 122.20 0.1 1 363 35 35 ALA H H 9.05 0.03 1 364 35 35 ALA HA H 4.03 0.03 1 365 35 35 ALA HB H 0.98 0.03 1 366 35 35 ALA C C 180.25 0.3 1 367 35 35 ALA CA C 54.85 0.3 1 368 35 35 ALA CB C 18.16 0.3 1 369 35 35 ALA N N 123.09 0.1 1 370 36 36 PHE H H 7.51 0.03 1 371 36 36 PHE HA H 4.37 0.03 1 372 36 36 PHE HB2 H 2.55 0.03 2 373 36 36 PHE HB3 H 3.20 0.03 2 374 36 36 PHE HD1 H 7.32 0.03 1 375 36 36 PHE HD2 H 7.32 0.03 1 376 36 36 PHE HE1 H 7.38 0.03 1 377 36 36 PHE HE2 H 7.38 0.03 1 378 36 36 PHE HZ H 7.29 0.03 1 379 36 36 PHE C C 174.87 0.3 1 380 36 36 PHE CA C 60.16 0.3 1 381 36 36 PHE CB C 38.93 0.3 1 382 36 36 PHE CD1 C 132.04 0.3 1 383 36 36 PHE CD2 C 132.04 0.3 1 384 36 36 PHE CE1 C 131.57 0.3 1 385 36 36 PHE CE2 C 131.57 0.3 1 386 36 36 PHE CZ C 129.62 0.3 1 387 36 36 PHE N N 112.03 0.1 1 388 37 37 LEU H H 7.64 0.03 1 389 37 37 LEU HA H 4.23 0.03 1 390 37 37 LEU HB2 H 0.74 0.03 2 391 37 37 LEU HB3 H 1.23 0.03 2 392 37 37 LEU HD1 H 0.25 0.03 2 393 37 37 LEU HD2 H 0.28 0.03 2 394 37 37 LEU HG H 1.04 0.03 1 395 37 37 LEU C C 177.38 0.3 1 396 37 37 LEU CA C 53.08 0.3 1 397 37 37 LEU CB C 41.05 0.3 1 398 37 37 LEU CD1 C 24.80 0.3 2 399 37 37 LEU CD2 C 22.37 0.3 2 400 37 37 LEU CG C 26.10 0.3 1 401 37 37 LEU N N 116.80 0.1 1 402 38 38 GLU H H 7.05 0.03 1 403 38 38 GLU HA H 3.98 0.03 1 404 38 38 GLU HB2 H 1.96 0.03 2 405 38 38 GLU HB3 H 1.96 0.03 2 406 38 38 GLU HG2 H 2.27 0.03 2 407 38 38 GLU HG3 H 2.35 0.03 2 408 38 38 GLU C C 176.63 0.3 1 409 38 38 GLU CA C 59.25 0.3 1 410 38 38 GLU CB C 29.87 0.3 1 411 38 38 GLU CG C 35.84 0.3 1 412 38 38 GLU N N 121.26 0.1 1 413 39 39 ASP H H 8.69 0.03 1 414 39 39 ASP HA H 4.70 0.03 1 415 39 39 ASP HB2 H 2.79 0.03 2 416 39 39 ASP HB3 H 2.81 0.03 2 417 39 39 ASP C C 175.57 0.3 1 418 39 39 ASP CA C 53.76 0.3 1 419 39 39 ASP CB C 40.01 0.3 1 420 39 39 ASP N N 115.59 0.1 1 421 40 40 GLU H H 7.46 0.03 1 422 40 40 GLU HA H 4.72 0.03 1 423 40 40 GLU HB2 H 1.90 0.03 2 424 40 40 GLU HB3 H 1.96 0.03 2 425 40 40 GLU HG2 H 2.33 0.03 2 426 40 40 GLU HG3 H 2.42 0.03 2 427 40 40 GLU C C 175.66 0.3 1 428 40 40 GLU CA C 54.24 0.3 1 429 40 40 GLU CB C 31.24 0.3 1 430 40 40 GLU CG C 36.46 0.3 1 431 40 40 GLU N N 118.21 0.1 1 432 41 41 ARG H H 9.13 0.03 1 433 41 41 ARG HA H 5.08 0.03 1 434 41 41 ARG HB2 H 1.80 0.03 2 435 41 41 ARG HB3 H 1.88 0.03 2 436 41 41 ARG HD2 H 3.29 0.03 2 437 41 41 ARG HD3 H 3.29 0.03 2 438 41 41 ARG HG2 H 1.75 0.03 2 439 41 41 ARG HG3 H 1.75 0.03 2 440 41 41 ARG CA C 52.54 0.3 1 441 41 41 ARG CB C 31.24 0.3 1 442 41 41 ARG CD C 43.16 0.3 1 443 41 41 ARG CG C 26.55 0.3 1 444 41 41 ARG N N 121.83 0.1 1 445 42 42 PRO HA H 3.84 0.03 1 446 42 42 PRO HB2 H 1.33 0.03 2 447 42 42 PRO HB3 H 1.65 0.03 2 448 42 42 PRO HD2 H 3.68 0.03 2 449 42 42 PRO HD3 H 3.90 0.03 2 450 42 42 PRO HG2 H 1.61 0.03 2 451 42 42 PRO HG3 H 1.84 0.03 2 452 42 42 PRO C C 177.18 0.3 1 453 42 42 PRO CA C 63.01 0.3 1 454 42 42 PRO CB C 32.49 0.3 1 455 42 42 PRO CD C 50.67 0.3 1 456 42 42 PRO CG C 26.59 0.3 1 457 43 43 ILE H H 9.11 0.03 1 458 43 43 ILE HA H 4.41 0.03 1 459 43 43 ILE HB H 1.96 0.03 1 460 43 43 ILE HD1 H 0.89 0.03 1 461 43 43 ILE HG12 H 1.03 0.03 2 462 43 43 ILE HG13 H 1.33 0.03 2 463 43 43 ILE HG2 H 1.06 0.03 1 464 43 43 ILE C C 176.22 0.3 1 465 43 43 ILE CA C 61.48 0.3 1 466 43 43 ILE CB C 39.51 0.3 1 467 43 43 ILE CD1 C 14.45 0.3 1 468 43 43 ILE CG1 C 26.99 0.3 1 469 43 43 ILE CG2 C 19.22 0.3 1 470 43 43 ILE N N 115.61 0.1 1 471 44 44 GLN H H 7.75 0.03 1 472 44 44 GLN HA H 4.61 0.03 1 473 44 44 GLN HB2 H 2.02 0.03 2 474 44 44 GLN HB3 H 2.20 0.03 2 475 44 44 GLN HE21 H 7.33 0.03 1 476 44 44 GLN HE22 H 6.86 0.03 1 477 44 44 GLN HG2 H 2.16 0.03 2 478 44 44 GLN HG3 H 2.20 0.03 2 479 44 44 GLN C C 173.61 0.3 1 480 44 44 GLN CA C 55.14 0.3 1 481 44 44 GLN CB C 31.46 0.3 1 482 44 44 GLN CG C 33.29 0.3 1 483 44 44 GLN N N 118.36 0.1 1 484 44 44 GLN NE2 N 111.10 0.1 1 485 45 45 THR H H 8.56 0.03 1 486 45 45 THR HA H 5.14 0.03 1 487 45 45 THR HB H 3.88 0.03 1 488 45 45 THR HG2 H 1.15 0.03 1 489 45 45 THR C C 177.83 0.3 1 490 45 45 THR CA C 61.45 0.3 1 491 45 45 THR CB C 71.38 0.3 1 492 45 45 THR CG2 C 21.22 0.3 1 493 45 45 THR N N 115.47 0.1 1 494 46 46 MET H H 9.10 0.03 1 495 46 46 MET HA H 4.73 0.03 1 496 46 46 MET HB2 H 1.94 0.03 2 497 46 46 MET HB3 H 1.94 0.03 2 498 46 46 MET HG2 H 2.35 0.03 2 499 46 46 MET HG3 H 2.39 0.03 2 500 46 46 MET C C 173.52 0.3 1 501 46 46 MET CA C 54.56 0.3 1 502 46 46 MET CB C 36.50 0.3 1 503 46 46 MET CG C 31.17 0.3 1 504 46 46 MET N N 123.16 0.1 1 505 47 47 LEU H H 8.49 0.03 1 506 47 47 LEU HA H 4.73 0.03 1 507 47 47 LEU HB2 H 1.54 0.03 2 508 47 47 LEU HB3 H 1.54 0.03 2 509 47 47 LEU HD1 H 0.83 0.03 2 510 47 47 LEU HD2 H 0.80 0.03 2 511 47 47 LEU HG H 1.46 0.03 1 512 47 47 LEU C C 176.21 0.3 1 513 47 47 LEU CA C 54.44 0.3 1 514 47 47 LEU CB C 42.54 0.3 1 515 47 47 LEU CD1 C 24.38 0.3 2 516 47 47 LEU CD2 C 24.38 0.3 2 517 47 47 LEU CG C 27.05 0.3 1 518 47 47 LEU N N 124.30 0.1 1 519 48 48 ILE H H 8.99 0.03 1 520 48 48 ILE HA H 4.43 0.03 1 521 48 48 ILE HB H 1.88 0.03 1 522 48 48 ILE HD1 H 0.78 0.03 1 523 48 48 ILE HG12 H 1.24 0.03 2 524 48 48 ILE HG13 H 1.39 0.03 2 525 48 48 ILE HG2 H 0.86 0.03 1 526 48 48 ILE C C 175.04 0.3 1 527 48 48 ILE CA C 59.15 0.3 1 528 48 48 ILE CB C 39.91 0.3 1 529 48 48 ILE CD1 C 12.35 0.3 1 530 48 48 ILE CG1 C 26.89 0.3 1 531 48 48 ILE CG2 C 17.32 0.3 1 532 48 48 ILE N N 125.76 0.1 1 533 49 49 LYS H H 8.71 0.03 1 534 49 49 LYS HA H 4.55 0.03 1 535 49 49 LYS HB2 H 1.78 0.03 2 536 49 49 LYS HB3 H 1.84 0.03 2 537 49 49 LYS HD2 H 1.72 0.03 2 538 49 49 LYS HD3 H 1.74 0.03 2 539 49 49 LYS HE2 H 2.99 0.03 2 540 49 49 LYS HE3 H 3.03 0.03 2 541 49 49 LYS HG2 H 1.35 0.03 2 542 49 49 LYS HG3 H 1.48 0.03 2 543 49 49 LYS C C 176.06 0.3 1 544 49 49 LYS CA C 56.57 0.3 1 545 49 49 LYS CB C 33.01 0.3 1 546 49 49 LYS CD C 29.27 0.3 1 547 49 49 LYS CE C 42.01 0.3 1 548 49 49 LYS CG C 25.09 0.3 1 549 49 49 LYS N N 126.48 0.1 1 550 50 50 THR H H 8.15 0.03 1 551 50 50 THR HA H 4.86 0.03 1 552 50 50 THR HB H 4.57 0.03 1 553 50 50 THR HG2 H 1.21 0.03 1 554 50 50 THR CA C 60.03 0.3 1 555 50 50 THR CB C 72.82 0.3 1 556 50 50 THR CG2 C 21.40 0.3 1 557 50 50 THR N N 116.22 0.1 1 558 51 51 ILE HA H 4.40 0.03 1 559 51 51 ILE HB H 1.98 0.03 1 560 51 51 ILE HD1 H 0.90 0.03 1 561 51 51 ILE HG12 H 1.06 0.03 2 562 51 51 ILE HG13 H 1.33 0.03 2 563 51 51 ILE HG2 H 1.05 0.03 1 564 51 51 ILE C C 176.14 0.3 1 565 51 51 ILE CA C 63.45 0.3 1 566 51 51 ILE CB C 37.97 0.3 1 567 51 51 ILE CD1 C 14.45 0.3 1 568 51 51 ILE CG1 C 26.89 0.3 1 569 51 51 ILE CG2 C 19.12 0.3 1 570 52 52 HIS H H 7.82 0.03 1 571 52 52 HIS HA H 4.83 0.03 1 572 52 52 HIS HB2 H 2.84 0.03 2 573 52 52 HIS HB3 H 3.38 0.03 2 574 52 52 HIS C C 175.19 0.3 1 575 52 52 HIS CA C 55.67 0.3 1 576 52 52 HIS CB C 31.26 0.3 1 577 52 52 HIS N N 118.28 0.1 1 578 53 53 GLY H H 7.59 0.03 1 579 53 53 GLY HA2 H 3.88 0.03 2 580 53 53 GLY HA3 H 4.51 0.03 2 581 53 53 GLY C C 173.36 0.3 1 582 53 53 GLY CA C 44.51 0.3 1 583 53 53 GLY N N 108.49 0.1 1 584 54 54 GLU H H 8.71 0.03 1 585 54 54 GLU HA H 5.05 0.03 1 586 54 54 GLU HB2 H 1.92 0.03 2 587 54 54 GLU HB3 H 1.94 0.03 2 588 54 54 GLU HG2 H 2.12 0.03 2 589 54 54 GLU HG3 H 2.20 0.03 2 590 54 54 GLU C C 175.89 0.3 1 591 54 54 GLU CA C 55.98 0.3 1 592 54 54 GLU CB C 31.61 0.3 1 593 54 54 GLU CG C 36.74 0.3 1 594 54 54 GLU N N 121.85 0.1 1 595 55 55 LYS H H 8.93 0.03 1 596 55 55 LYS HA H 4.67 0.03 1 597 55 55 LYS HB2 H 1.73 0.03 2 598 55 55 LYS HB3 H 1.81 0.03 2 599 55 55 LYS HD2 H 1.64 0.03 2 600 55 55 LYS HD3 H 1.68 0.03 2 601 55 55 LYS HE2 H 2.90 0.03 2 602 55 55 LYS HE3 H 2.97 0.03 2 603 55 55 LYS HG2 H 1.33 0.03 2 604 55 55 LYS HG3 H 1.37 0.03 2 605 55 55 LYS C C 174.63 0.3 1 606 55 55 LYS CA C 54.75 0.3 1 607 55 55 LYS CB C 35.91 0.3 1 608 55 55 LYS CD C 29.17 0.3 1 609 55 55 LYS CE C 42.21 0.3 1 610 55 55 LYS CG C 24.30 0.3 1 611 55 55 LYS N N 123.38 0.1 1 612 56 56 GLN H H 8.67 0.03 1 613 56 56 GLN HA H 4.82 0.03 1 614 56 56 GLN HB2 H 1.81 0.03 2 615 56 56 GLN HB3 H 1.91 0.03 2 616 56 56 GLN HG2 H 2.24 0.03 2 617 56 56 GLN HG3 H 2.24 0.03 2 618 56 56 GLN C C 175.78 0.3 1 619 56 56 GLN CA C 55.50 0.3 1 620 56 56 GLN CB C 29.47 0.3 1 621 56 56 GLN CG C 33.85 0.3 1 622 56 56 GLN N N 122.95 0.1 1 623 57 57 GLN H H 9.21 0.03 1 624 57 57 GLN HA H 4.74 0.03 1 625 57 57 GLN HB2 H 1.85 0.03 2 626 57 57 GLN HB3 H 2.08 0.03 2 627 57 57 GLN HE21 H 7.55 0.03 1 628 57 57 GLN HE22 H 6.95 0.03 1 629 57 57 GLN HG2 H 2.33 0.03 2 630 57 57 GLN HG3 H 2.42 0.03 2 631 57 57 GLN C C 174.10 0.3 1 632 57 57 GLN CA C 54.76 0.3 1 633 57 57 GLN CB C 32.67 0.3 1 634 57 57 GLN CG C 34.35 0.3 1 635 57 57 GLN N N 125.03 0.1 1 636 57 57 GLN NE2 N 111.45 0.1 1 637 58 58 ASP H H 8.57 0.03 1 638 58 58 ASP HA H 4.86 0.03 1 639 58 58 ASP HB2 H 2.08 0.03 2 640 58 58 ASP HB3 H 2.60 0.03 2 641 58 58 ASP C C 173.69 0.3 1 642 58 58 ASP CA C 55.09 0.3 1 643 58 58 ASP CB C 42.12 0.3 1 644 58 58 ASP N N 124.68 0.1 1 645 59 59 VAL H H 8.48 0.03 1 646 59 59 VAL HA H 4.61 0.03 1 647 59 59 VAL HB H 1.67 0.03 1 648 59 59 VAL HG1 H 1.04 0.03 2 649 59 59 VAL HG2 H 0.85 0.03 2 650 59 59 VAL C C 174.60 0.3 1 651 59 59 VAL CA C 61.13 0.3 1 652 59 59 VAL CB C 34.25 0.3 1 653 59 59 VAL CG1 C 21.60 0.3 2 654 59 59 VAL CG2 C 21.60 0.3 2 655 59 59 VAL N N 121.27 0.1 1 656 60 60 TYR H H 9.39 0.03 1 657 60 60 TYR HA H 4.80 0.03 1 658 60 60 TYR HB2 H 2.60 0.03 2 659 60 60 TYR HB3 H 3.03 0.03 2 660 60 60 TYR HD1 H 7.05 0.03 1 661 60 60 TYR HD2 H 7.05 0.03 1 662 60 60 TYR HE1 H 6.72 0.03 1 663 60 60 TYR HE2 H 6.72 0.03 1 664 60 60 TYR C C 173.84 0.3 1 665 60 60 TYR CA C 56.84 0.3 1 666 60 60 TYR CB C 41.19 0.3 1 667 60 60 TYR CD1 C 134.11 0.3 1 668 60 60 TYR CD2 C 134.11 0.3 1 669 60 60 TYR CE1 C 118.22 0.3 1 670 60 60 TYR CE2 C 118.22 0.3 1 671 60 60 TYR N N 125.76 0.1 1 672 61 61 TYR H H 9.30 0.03 1 673 61 61 TYR HA H 5.37 0.03 1 674 61 61 TYR HB2 H 2.86 0.03 2 675 61 61 TYR HB3 H 3.10 0.03 2 676 61 61 TYR HD1 H 7.01 0.03 1 677 61 61 TYR HD2 H 7.01 0.03 1 678 61 61 TYR HE1 H 6.75 0.03 1 679 61 61 TYR HE2 H 6.75 0.03 1 680 61 61 TYR C C 174.30 0.3 1 681 61 61 TYR CA C 57.49 0.3 1 682 61 61 TYR CB C 40.90 0.3 1 683 61 61 TYR CD1 C 132.99 0.3 1 684 61 61 TYR CD2 C 132.99 0.3 1 685 61 61 TYR CE1 C 117.83 0.3 1 686 61 61 TYR CE2 C 117.83 0.3 1 687 61 61 TYR N N 122.89 0.1 1 688 62 62 LEU H H 8.77 0.03 1 689 62 62 LEU HA H 4.78 0.03 1 690 62 62 LEU HB2 H 1.11 0.03 2 691 62 62 LEU HB3 H 1.72 0.03 2 692 62 62 LEU HD1 H 0.62 0.03 2 693 62 62 LEU HD2 H 0.93 0.03 2 694 62 62 LEU HG H 1.74 0.03 1 695 62 62 LEU C C 174.07 0.3 1 696 62 62 LEU CA C 53.76 0.3 1 697 62 62 LEU CB C 49.02 0.3 1 698 62 62 LEU CD1 C 25.89 0.3 2 699 62 62 LEU CD2 C 23.43 0.3 2 700 62 62 LEU CG C 26.77 0.3 1 701 62 62 LEU N N 129.70 0.1 1 702 63 63 THR H H 7.96 0.03 1 703 63 63 THR HA H 5.41 0.03 1 704 63 63 THR HB H 4.07 0.03 1 705 63 63 THR HG2 H 1.25 0.03 1 706 63 63 THR C C 173.86 0.3 1 707 63 63 THR CA C 60.85 0.3 1 708 63 63 THR CB C 69.79 0.3 1 709 63 63 THR CG2 C 21.31 0.3 1 710 63 63 THR N N 118.46 0.1 1 711 64 64 PHE H H 9.27 0.03 1 712 64 64 PHE HA H 5.10 0.03 1 713 64 64 PHE HB2 H 3.12 0.03 2 714 64 64 PHE HB3 H 3.61 0.03 2 715 64 64 PHE HD1 H 6.82 0.03 1 716 64 64 PHE HD2 H 6.82 0.03 1 717 64 64 PHE HE1 H 6.78 0.03 1 718 64 64 PHE HE2 H 6.78 0.03 1 719 64 64 PHE HZ H 6.75 0.03 1 720 64 64 PHE C C 172.28 0.3 1 721 64 64 PHE CA C 56.02 0.3 1 722 64 64 PHE CB C 38.35 0.3 1 723 64 64 PHE CD1 C 133.05 0.3 1 724 64 64 PHE CD2 C 133.05 0.3 1 725 64 64 PHE CE1 C 129.84 0.3 1 726 64 64 PHE CE2 C 129.94 0.3 1 727 64 64 PHE CZ C 128.28 0.3 1 728 64 64 PHE N N 123.96 0.1 1 729 65 65 LYS H H 8.75 0.03 1 730 65 65 LYS HA H 5.50 0.03 1 731 65 65 LYS HB2 H 1.37 0.03 2 732 65 65 LYS HB3 H 1.64 0.03 2 733 65 65 LYS HD2 H 1.39 0.03 2 734 65 65 LYS HD3 H 1.42 0.03 2 735 65 65 LYS HE2 H 2.76 0.03 2 736 65 65 LYS HE3 H 2.76 0.03 2 737 65 65 LYS HG2 H 0.98 0.03 2 738 65 65 LYS HG3 H 1.40 0.03 2 739 65 65 LYS C C 176.30 0.3 1 740 65 65 LYS CA C 54.90 0.3 1 741 65 65 LYS CB C 37.73 0.3 1 742 65 65 LYS CD C 29.77 0.3 1 743 65 65 LYS CE C 42.41 0.3 1 744 65 65 LYS CG C 25.19 0.3 1 745 65 65 LYS N N 117.93 0.1 1 746 66 66 VAL H H 8.84 0.03 1 747 66 66 VAL HA H 4.52 0.03 1 748 66 66 VAL HB H 2.06 0.03 1 749 66 66 VAL HG1 H 1.05 0.03 2 750 66 66 VAL HG2 H 1.02 0.03 2 751 66 66 VAL C C 175.55 0.3 1 752 66 66 VAL CA C 62.13 0.3 1 753 66 66 VAL CB C 35.10 0.3 1 754 66 66 VAL CG1 C 22.93 0.3 2 755 66 66 VAL CG2 C 21.90 0.3 2 756 66 66 VAL N N 119.33 0.1 1 757 67 67 GLN H H 9.69 0.03 1 758 67 67 GLN HA H 4.05 0.03 1 759 67 67 GLN HB2 H 2.36 0.03 2 760 67 67 GLN HB3 H 2.52 0.03 2 761 67 67 GLN HE21 H 7.73 0.03 1 762 67 67 GLN HE22 H 6.94 0.03 1 763 67 67 GLN HG2 H 2.56 0.03 2 764 67 67 GLN HG3 H 2.59 0.03 2 765 67 67 GLN C C 176.30 0.3 1 766 67 67 GLN CA C 56.72 0.3 1 767 67 67 GLN CB C 28.23 0.3 1 768 67 67 GLN CG C 35.25 0.3 1 769 67 67 GLN N N 125.93 0.1 1 770 67 67 GLN NE2 N 111.38 0.1 1 771 68 68 GLY H H 8.98 0.03 1 772 68 68 GLY HA2 H 3.51 0.03 2 773 68 68 GLY HA3 H 4.14 0.03 2 774 68 68 GLY C C 173.41 0.3 1 775 68 68 GLY CA C 45.46 0.3 1 776 68 68 GLY N N 103.51 0.1 1 777 69 69 ARG H H 8.07 0.03 1 778 69 69 ARG HA H 4.40 0.03 1 779 69 69 ARG HB2 H 1.47 0.03 2 780 69 69 ARG HB3 H 1.54 0.03 2 781 69 69 ARG HD2 H 1.63 0.03 2 782 69 69 ARG HD3 H 1.97 0.03 2 783 69 69 ARG HG2 H 1.04 0.03 2 784 69 69 ARG HG3 H 1.17 0.03 2 785 69 69 ARG C C 174.88 0.3 1 786 69 69 ARG CA C 54.73 0.3 1 787 69 69 ARG CB C 31.52 0.3 1 788 69 69 ARG CD C 42.23 0.3 1 789 69 69 ARG CG C 26.62 0.3 1 790 69 69 ARG N N 122.68 0.1 1 791 70 70 LYS H H 8.39 0.03 1 792 70 70 LYS HA H 4.22 0.03 1 793 70 70 LYS HB2 H 1.69 0.03 2 794 70 70 LYS HB3 H 1.69 0.03 2 795 70 70 LYS HD2 H 1.66 0.03 2 796 70 70 LYS HD3 H 1.69 0.03 2 797 70 70 LYS HE2 H 2.93 0.03 2 798 70 70 LYS HE3 H 2.96 0.03 2 799 70 70 LYS HG2 H 1.18 0.03 2 800 70 70 LYS HG3 H 1.39 0.03 2 801 70 70 LYS C C 175.33 0.3 1 802 70 70 LYS CA C 57.86 0.3 1 803 70 70 LYS CB C 32.79 0.3 1 804 70 70 LYS CD C 29.37 0.3 1 805 70 70 LYS CE C 41.81 0.3 1 806 70 70 LYS CG C 25.09 0.3 1 807 70 70 LYS N N 123.59 0.1 1 808 71 71 VAL H H 9.05 0.03 1 809 71 71 VAL HA H 4.14 0.03 1 810 71 71 VAL HB H 0.59 0.03 1 811 71 71 VAL HG1 H 0.80 0.03 2 812 71 71 VAL HG2 H 0.54 0.03 2 813 71 71 VAL C C 173.31 0.3 1 814 71 71 VAL CA C 61.37 0.3 1 815 71 71 VAL CB C 34.61 0.3 1 816 71 71 VAL CG1 C 22.08 0.3 2 817 71 71 VAL CG2 C 22.08 0.3 2 818 71 71 VAL N N 128.34 0.1 1 819 72 72 GLU H H 8.15 0.03 1 820 72 72 GLU HA H 4.97 0.03 1 821 72 72 GLU HB2 H 1.95 0.03 2 822 72 72 GLU HB3 H 1.95 0.03 2 823 72 72 GLU HG2 H 2.14 0.03 2 824 72 72 GLU HG3 H 2.28 0.03 2 825 72 72 GLU C C 174.91 0.3 1 826 72 72 GLU CA C 54.49 0.3 1 827 72 72 GLU CB C 31.41 0.3 1 828 72 72 GLU CG C 36.34 0.3 1 829 72 72 GLU N N 124.43 0.1 1 830 73 73 ALA H H 8.42 0.03 1 831 73 73 ALA HA H 4.77 0.03 1 832 73 73 ALA HB H 1.25 0.03 1 833 73 73 ALA C C 175.14 0.3 1 834 73 73 ALA CA C 51.05 0.3 1 835 73 73 ALA CB C 23.06 0.3 1 836 73 73 ALA N N 124.79 0.1 1 837 74 74 GLU H H 8.52 0.03 1 838 74 74 GLU HA H 5.26 0.03 1 839 74 74 GLU HB2 H 1.94 0.03 2 840 74 74 GLU HB3 H 2.06 0.03 2 841 74 74 GLU HG2 H 2.27 0.03 2 842 74 74 GLU HG3 H 2.59 0.03 2 843 74 74 GLU C C 176.57 0.3 1 844 74 74 GLU CA C 55.77 0.3 1 845 74 74 GLU CB C 29.84 0.3 1 846 74 74 GLU CG C 37.04 0.3 1 847 74 74 GLU N N 120.48 0.1 1 848 75 75 VAL H H 9.24 0.03 1 849 75 75 VAL HA H 5.73 0.03 1 850 75 75 VAL HB H 1.98 0.03 1 851 75 75 VAL HG1 H 0.70 0.03 2 852 75 75 VAL HG2 H 0.62 0.03 2 853 75 75 VAL C C 174.70 0.3 1 854 75 75 VAL CA C 57.95 0.3 1 855 75 75 VAL CB C 36.54 0.3 1 856 75 75 VAL CG1 C 21.04 0.3 2 857 75 75 VAL CG2 C 21.04 0.3 2 858 75 75 VAL N N 113.07 0.1 1 859 76 76 LEU H H 8.42 0.03 1 860 76 76 LEU HA H 5.11 0.03 1 861 76 76 LEU HB2 H 1.70 0.03 2 862 76 76 LEU HB3 H 1.94 0.03 2 863 76 76 LEU HD1 H 0.96 0.03 2 864 76 76 LEU HD2 H 0.88 0.03 2 865 76 76 LEU HG H 1.75 0.03 1 866 76 76 LEU C C 176.97 0.3 1 867 76 76 LEU CA C 52.37 0.3 1 868 76 76 LEU CB C 45.23 0.3 1 869 76 76 LEU CD1 C 24.18 0.3 2 870 76 76 LEU CD2 C 24.18 0.3 2 871 76 76 LEU CG C 26.06 0.3 1 872 76 76 LEU N N 117.79 0.1 1 873 77 77 ALA H H 8.93 0.03 1 874 77 77 ALA HA H 4.50 0.03 1 875 77 77 ALA HB H 1.35 0.03 1 876 77 77 ALA C C 177.95 0.3 1 877 77 77 ALA CA C 52.09 0.3 1 878 77 77 ALA CB C 20.28 0.3 1 879 77 77 ALA N N 122.21 0.1 1 880 78 78 SER H H 8.38 0.03 1 881 78 78 SER HA H 5.01 0.03 1 882 78 78 SER HB2 H 3.31 0.03 2 883 78 78 SER HB3 H 3.69 0.03 2 884 78 78 SER CA C 54.23 0.3 1 885 78 78 SER CB C 66.05 0.3 1 886 78 78 SER N N 117.83 0.1 1 887 79 79 PRO HA H 4.66 0.03 1 888 79 79 PRO HB2 H 1.80 0.03 2 889 79 79 PRO HB3 H 1.97 0.03 2 890 79 79 PRO HD2 H 3.29 0.03 2 891 79 79 PRO HD3 H 3.52 0.03 2 892 79 79 PRO HG2 H 0.90 0.03 2 893 79 79 PRO HG3 H 1.75 0.03 2 894 79 79 PRO C C 176.15 0.3 1 895 79 79 PRO CA C 62.86 0.3 1 896 79 79 PRO CB C 31.23 0.3 1 897 79 79 PRO CD C 50.47 0.3 1 898 79 79 PRO CG C 25.49 0.3 1 899 80 80 TYR H H 7.38 0.03 1 900 80 80 TYR HA H 4.71 0.03 1 901 80 80 TYR HB2 H 2.12 0.03 2 902 80 80 TYR HB3 H 2.50 0.03 2 903 80 80 TYR HD1 H 6.96 0.03 1 904 80 80 TYR HD2 H 6.96 0.03 1 905 80 80 TYR HE1 H 6.85 0.03 1 906 80 80 TYR HE2 H 6.85 0.03 1 907 80 80 TYR C C 175.55 0.3 1 908 80 80 TYR CA C 56.15 0.3 1 909 80 80 TYR CB C 38.49 0.3 1 910 80 80 TYR CD1 C 132.55 0.3 1 911 80 80 TYR CD2 C 132.55 0.3 1 912 80 80 TYR CE1 C 118.02 0.3 1 913 80 80 TYR CE2 C 118.02 0.3 1 914 80 80 TYR N N 120.86 0.1 1 915 81 81 ASP H H 8.29 0.03 1 916 81 81 ASP HA H 4.64 0.03 1 917 81 81 ASP HB2 H 2.76 0.03 2 918 81 81 ASP HB3 H 3.05 0.03 2 919 81 81 ASP C C 175.29 0.3 1 920 81 81 ASP CA C 53.56 0.3 1 921 81 81 ASP CB C 40.65 0.3 1 922 81 81 ASP N N 115.60 0.1 1 923 82 82 TYR H H 6.68 0.03 1 924 82 82 TYR HA H 5.16 0.03 1 925 82 82 TYR HB2 H 2.88 0.03 2 926 82 82 TYR HB3 H 2.88 0.03 2 927 82 82 TYR HD1 H 6.90 0.03 1 928 82 82 TYR HD2 H 6.90 0.03 1 929 82 82 TYR HE1 H 6.52 0.03 1 930 82 82 TYR HE2 H 6.52 0.03 1 931 82 82 TYR C C 173.93 0.3 1 932 82 82 TYR CA C 53.19 0.3 1 933 82 82 TYR CB C 40.82 0.3 1 934 82 82 TYR CD1 C 134.13 0.3 1 935 82 82 TYR CD2 C 134.14 0.3 1 936 82 82 TYR CE1 C 117.52 0.3 1 937 82 82 TYR CE2 C 117.52 0.3 1 938 82 82 TYR N N 116.10 0.1 1 939 83 83 ILE H H 8.90 0.03 1 940 83 83 ILE HA H 4.48 0.03 1 941 83 83 ILE HB H 1.64 0.03 1 942 83 83 ILE HD1 H 0.47 0.03 1 943 83 83 ILE HG12 H 1.68 0.03 2 944 83 83 ILE HG13 H 0.63 0.03 2 945 83 83 ILE HG2 H 0.73 0.03 1 946 83 83 ILE C C 175.16 0.3 1 947 83 83 ILE CA C 60.94 0.3 1 948 83 83 ILE CB C 40.98 0.3 1 949 83 83 ILE CD1 C 15.24 0.3 1 950 83 83 ILE CG1 C 28.28 0.3 1 951 83 83 ILE CG2 C 16.83 0.3 1 952 83 83 ILE N N 119.05 0.1 1 953 84 84 LEU H H 8.74 0.03 1 954 84 84 LEU HA H 5.14 0.03 1 955 84 84 LEU HB2 H 1.68 0.03 2 956 84 84 LEU HB3 H 1.86 0.03 2 957 84 84 LEU HD1 H 1.10 0.03 2 958 84 84 LEU HD2 H 1.10 0.03 2 959 84 84 LEU HG H 1.63 0.03 1 960 84 84 LEU C C 174.92 0.3 1 961 84 84 LEU CA C 53.80 0.3 1 962 84 84 LEU CB C 44.10 0.3 1 963 84 84 LEU CD1 C 25.22 0.3 2 964 84 84 LEU CD2 C 25.22 0.3 2 965 84 84 LEU CG C 27.28 0.3 1 966 84 84 LEU N N 130.66 0.1 1 967 85 85 LEU H H 9.01 0.03 1 968 85 85 LEU HA H 4.47 0.03 1 969 85 85 LEU HB2 H 1.31 0.03 2 970 85 85 LEU HB3 H 1.45 0.03 2 971 85 85 LEU HD1 H 0.88 0.03 2 972 85 85 LEU HD2 H 0.88 0.03 2 973 85 85 LEU HG H 0.88 0.03 1 974 85 85 LEU C C 174.66 0.3 1 975 85 85 LEU CA C 54.08 0.3 1 976 85 85 LEU CB C 44.35 0.3 1 977 85 85 LEU CD1 C 25.26 0.3 2 978 85 85 LEU CD2 C 25.26 0.3 2 979 85 85 LEU CG C 25.26 0.3 1 980 85 85 LEU N N 125.21 0.1 1 981 86 86 ASN H H 8.37 0.03 1 982 86 86 ASN HA H 4.68 0.03 1 983 86 86 ASN HB2 H 2.29 0.03 2 984 86 86 ASN HB3 H 3.11 0.03 2 985 86 86 ASN HD21 H 6.73 0.03 1 986 86 86 ASN HD22 H 6.50 0.03 1 987 86 86 ASN CA C 49.78 0.3 1 988 86 86 ASN CB C 38.89 0.3 1 989 86 86 ASN N N 122.97 0.1 1 990 86 86 ASN ND2 N 110.12 0.1 1 991 87 87 PRO HA H 3.60 0.03 1 992 87 87 PRO HB2 H 1.74 0.03 2 993 87 87 PRO HB3 H 2.13 0.03 2 994 87 87 PRO HD2 H 3.73 0.03 2 995 87 87 PRO HD3 H 4.22 0.03 2 996 87 87 PRO HG2 H 0.36 0.03 2 997 87 87 PRO HG3 H 1.49 0.03 2 998 87 87 PRO C C 178.74 0.3 1 999 87 87 PRO CA C 65.05 0.3 1 1000 87 87 PRO CB C 33.16 0.3 1 1001 87 87 PRO CD C 50.97 0.3 1 1002 87 87 PRO CG C 27.08 0.3 1 1003 88 88 SER H H 7.58 0.03 1 1004 88 88 SER HA H 4.10 0.03 1 1005 88 88 SER HB2 H 3.84 0.03 2 1006 88 88 SER HB3 H 3.84 0.03 2 1007 88 88 SER C C 175.48 0.3 1 1008 88 88 SER CA C 60.73 0.3 1 1009 88 88 SER CB C 62.87 0.3 1 1010 88 88 SER N N 109.53 0.1 1 1011 89 89 ASP H H 8.17 0.03 1 1012 89 89 ASP HA H 4.77 0.03 1 1013 89 89 ASP HB2 H 2.60 0.03 2 1014 89 89 ASP HB3 H 2.73 0.03 2 1015 89 89 ASP C C 175.73 0.3 1 1016 89 89 ASP CA C 56.03 0.3 1 1017 89 89 ASP CB C 41.38 0.3 1 1018 89 89 ASP N N 118.60 0.1 1 1019 90 90 VAL H H 7.05 0.03 1 1020 90 90 VAL HA H 4.05 0.03 1 1021 90 90 VAL HB H 1.26 0.03 1 1022 90 90 VAL HG1 H 0.85 0.03 2 1023 90 90 VAL HG2 H 0.58 0.03 2 1024 90 90 VAL CA C 56.96 0.3 1 1025 90 90 VAL CB C 31.71 0.3 1 1026 90 90 VAL CG1 C 20.49 0.3 2 1027 90 90 VAL CG2 C 23.72 0.3 2 1028 90 90 VAL N N 109.58 0.1 1 1029 91 91 PRO HA H 4.25 0.03 1 1030 91 91 PRO HB2 H 2.15 0.03 2 1031 91 91 PRO HB3 H 2.29 0.03 2 1032 91 91 PRO HD2 H 3.44 0.03 2 1033 91 91 PRO HD3 H 3.52 0.03 2 1034 91 91 PRO HG2 H 2.18 0.03 2 1035 91 91 PRO HG3 H 2.18 0.03 2 1036 91 91 PRO C C 176.87 0.3 1 1037 91 91 PRO CA C 65.19 0.3 1 1038 91 91 PRO CB C 31.47 0.3 1 1039 91 91 PRO CD C 50.47 0.3 1 1040 91 91 PRO CG C 27.44 0.3 1 1041 92 92 TRP H H 6.72 0.03 1 1042 92 92 TRP HA H 4.57 0.03 1 1043 92 92 TRP HB2 H 3.31 0.03 2 1044 92 92 TRP HB3 H 3.47 0.03 2 1045 92 92 TRP HD1 H 7.24 0.03 1 1046 92 92 TRP HE1 H 10.78 0.03 1 1047 92 92 TRP HE3 H 7.51 0.03 1 1048 92 92 TRP HH2 H 7.19 0.03 1 1049 92 92 TRP HZ2 H 7.23 0.03 1 1050 92 92 TRP HZ3 H 7.24 0.03 1 1051 92 92 TRP C C 176.63 0.3 1 1052 92 92 TRP CA C 56.91 0.3 1 1053 92 92 TRP CB C 27.99 0.3 1 1054 92 92 TRP CD1 C 127.56 0.3 1 1055 92 92 TRP CE3 C 119.96 0.3 1 1056 92 92 TRP CH2 C 125.65 0.3 1 1057 92 92 TRP CZ2 C 114.55 0.3 1 1058 92 92 TRP CZ3 C 122.91 0.3 1 1059 92 92 TRP N N 115.11 0.1 1 1060 92 92 TRP NE1 N 131.33 0.1 1 1061 93 93 LEU H H 7.15 0.03 1 1062 93 93 LEU HA H 4.22 0.03 1 1063 93 93 LEU HB2 H 1.18 0.03 2 1064 93 93 LEU HB3 H 1.24 0.03 2 1065 93 93 LEU HD1 H 0.66 0.03 2 1066 93 93 LEU HD2 H 0.75 0.03 2 1067 93 93 LEU HG H 0.80 0.03 1 1068 93 93 LEU C C 176.21 0.3 1 1069 93 93 LEU CA C 55.35 0.3 1 1070 93 93 LEU CB C 42.19 0.3 1 1071 93 93 LEU CD1 C 25.22 0.3 2 1072 93 93 LEU CD2 C 24.22 0.3 2 1073 93 93 LEU CG C 26.24 0.3 1 1074 93 93 LEU N N 123.09 0.1 1 1075 94 94 MET H H 7.73 0.03 1 1076 94 94 MET HA H 4.34 0.03 1 1077 94 94 MET HB2 H 1.90 0.03 2 1078 94 94 MET HB3 H 2.00 0.03 2 1079 94 94 MET HG2 H 2.33 0.03 2 1080 94 94 MET HG3 H 2.33 0.03 2 1081 94 94 MET C C 175.55 0.3 1 1082 94 94 MET CA C 55.12 0.3 1 1083 94 94 MET CB C 32.63 0.3 1 1084 94 94 MET CG C 31.17 0.3 1 1085 94 94 MET N N 118.25 0.1 1 1086 95 95 LYS H H 7.95 0.03 1 1087 95 95 LYS HA H 4.26 0.03 1 1088 95 95 LYS HB2 H 1.66 0.03 2 1089 95 95 LYS HB3 H 1.76 0.03 2 1090 95 95 LYS C C 176.13 0.3 1 1091 95 95 LYS CA C 56.15 0.3 1 1092 95 95 LYS CB C 33.01 0.3 1 1093 95 95 LYS N N 121.65 0.1 1 1094 96 96 LYS H H 8.26 0.03 1 1095 96 96 LYS N N 123.57 0.1 1 1096 97 97 PRO HA H 4.53 0.03 1 1097 97 97 PRO HB2 H 2.05 0.03 2 1098 97 97 PRO HB3 H 2.69 0.03 2 1099 97 97 PRO C C 176.83 0.3 1 1100 97 97 PRO CA C 63.18 0.3 1 1101 97 97 PRO CB C 32.05 0.3 1 1102 97 97 PRO CD C 50.87 0.3 1 1103 97 97 PRO CG C 27.38 0.3 1 1104 98 98 LEU H H 8.34 0.03 1 1105 98 98 LEU CA C 55.53 0.3 1 1106 98 98 LEU CB C 42.46 0.3 1 1107 98 98 LEU N N 122.12 0.1 1 1108 99 99 GLN C C 175.69 0.3 1 1109 99 99 GLN CA C 55.49 0.3 1 1110 99 99 GLN CB C 29.47 0.3 1 1111 100 100 LEU H H 8.33 0.03 1 1112 100 100 LEU CA C 55.40 0.3 1 1113 100 100 LEU CB C 42.50 0.3 1 1114 100 100 LEU N N 123.61 0.1 1 stop_ save_