data_16362 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N NMR assignments of StnII-R29Q, a defective lipid binding mutant of the sea anemone actinoporin Sticholysin II. ; _BMRB_accession_number 16362 _BMRB_flat_file_name bmr16362.str _Entry_type original _Submission_date 2009-06-24 _Accession_date 2009-06-24 _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 Castrillo Ines . . 2 Bruix Marta . . 3 Santoro Jorge . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 946 "13C chemical shifts" 412 "15N chemical shifts" 178 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-11-25 update BMRB 'complete entry citation' 2009-11-16 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15927 '1H, 13C and 15N NMR resonance assignments of the actinoporin Sticholysin I' 16630 '1H, 13C and 15N NMR assignments of StnII-Y111N, a mutant of the sea anemone actinoporin Sticholysin II' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (13)C, and (15)N NMR assignments of StnII-R29Q, a defective lipid binding mutant of the sea anemone actinoporin Sticholysin II.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19768581 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Castrillo Ines . . 2 Alegre-Cebollada Jorge . . 3 Martinez-Del-Pozo Alvaro . . 4 Gavilanes Jose G. . 5 Bruix Marta . . stop_ _Journal_abbreviation 'Biomol NMR Assign' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 3 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 239 _Page_last 241 _Year 2009 _Details . loop_ _Keyword actinoporin sticholysin stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name monomer _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label monomer $R29Q_StnII stop_ _System_molecular_weight 19286 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_R29Q_StnII _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common R29Q_StnII _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function cytolysin Hemolysis 'ion transport' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 175 _Mol_residue_sequence ; ALAGTIIAGASLTFQVLDKV LEELGKVSQKIAVGIDNESG GTWTALNAYFRSGTTDVILP EFVPNTKALLYSGRKDTGPV ATGAVAAFAYYMSSGNTLGV MFSVPFDYNWYSNWWDVKIY SGKRRADQGMYEDLYYGNPY RGDNGWHEKNLGYGLRMKGI MTSAGEAKMQIKISR ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 LEU 3 ALA 4 GLY 5 THR 6 ILE 7 ILE 8 ALA 9 GLY 10 ALA 11 SER 12 LEU 13 THR 14 PHE 15 GLN 16 VAL 17 LEU 18 ASP 19 LYS 20 VAL 21 LEU 22 GLU 23 GLU 24 LEU 25 GLY 26 LYS 27 VAL 28 SER 29 GLN 30 LYS 31 ILE 32 ALA 33 VAL 34 GLY 35 ILE 36 ASP 37 ASN 38 GLU 39 SER 40 GLY 41 GLY 42 THR 43 TRP 44 THR 45 ALA 46 LEU 47 ASN 48 ALA 49 TYR 50 PHE 51 ARG 52 SER 53 GLY 54 THR 55 THR 56 ASP 57 VAL 58 ILE 59 LEU 60 PRO 61 GLU 62 PHE 63 VAL 64 PRO 65 ASN 66 THR 67 LYS 68 ALA 69 LEU 70 LEU 71 TYR 72 SER 73 GLY 74 ARG 75 LYS 76 ASP 77 THR 78 GLY 79 PRO 80 VAL 81 ALA 82 THR 83 GLY 84 ALA 85 VAL 86 ALA 87 ALA 88 PHE 89 ALA 90 TYR 91 TYR 92 MET 93 SER 94 SER 95 GLY 96 ASN 97 THR 98 LEU 99 GLY 100 VAL 101 MET 102 PHE 103 SER 104 VAL 105 PRO 106 PHE 107 ASP 108 TYR 109 ASN 110 TRP 111 TYR 112 SER 113 ASN 114 TRP 115 TRP 116 ASP 117 VAL 118 LYS 119 ILE 120 TYR 121 SER 122 GLY 123 LYS 124 ARG 125 ARG 126 ALA 127 ASP 128 GLN 129 GLY 130 MET 131 TYR 132 GLU 133 ASP 134 LEU 135 TYR 136 TYR 137 GLY 138 ASN 139 PRO 140 TYR 141 ARG 142 GLY 143 ASP 144 ASN 145 GLY 146 TRP 147 HIS 148 GLU 149 LYS 150 ASN 151 LEU 152 GLY 153 TYR 154 GLY 155 LEU 156 ARG 157 MET 158 LYS 159 GLY 160 ILE 161 MET 162 THR 163 SER 164 ALA 165 GLY 166 GLU 167 ALA 168 LYS 169 MET 170 GLN 171 ILE 172 LYS 173 ILE 174 SER 175 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 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 BMRB 16630 stnIIY111N 100.00 175 98.86 99.43 1.41e-121 PDB 1GWY "Crystal Structure Of The Water-Soluble State Of The Pore- Forming Cytolysin Sticholysin Ii" 100.00 175 99.43 100.00 8.06e-123 PDB 1O71 "Crystal Structure Of The Water-Soluble State Of The Pore-Forming Cytolysin Sticholysin Ii Complexed With Glycerol" 100.00 175 99.43 100.00 8.06e-123 PDB 1O72 "Crystal Structure Of The Water-soluble State Of The Pore-forming Cytolysin Sticholysin Ii Complexed With Phosphorylcholine" 100.00 175 99.43 100.00 8.06e-123 PDB 2L2B "Structure Of Stnii-Y111n, A Mutant Of The Sea Anemone Actinoporin Sticholysin Ii" 100.00 175 98.86 99.43 1.41e-121 PDB 2L38 "R29q Sticholysin Ii Mutant" 100.00 175 100.00 100.00 1.43e-123 EMBL CAC20912 "sticholysin II [Stichodactyla helianthus]" 100.00 175 99.43 100.00 8.06e-123 SP P07845 "RecName: Full=DELTA-stichotoxin-She4b; Short=DELTA-SHTX-She4b; AltName: Full=Cytolysin III; AltName: Full=Sticholysin II; Short" 100.00 175 99.43 100.00 8.06e-123 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $R29Q_StnII 'E. coli' 562 Eubacteria . Escherichia coli 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 $R29Q_StnII 'recombinant technology' . Escherichia coli . pQE60 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 $R29Q_StnII 0.5 mM '[U-13C]; [U-15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $R29Q_StnII 0.5 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AV800 _Field_strength 800.2 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-1H_COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 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 DSS C 13 'methyl protons' ppm 0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.00000 DSS N 15 'methyl protons' ppm 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HN(CO)CA' '3D HNCA' '3D HCCH-TOCSY' '3D HNHA' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '2D 1H-1H TOCSY' '2D 1H-1H COSY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name monomer _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 ALA HA H 4.079 0.005 1 2 1 1 ALA HB H 1.568 0.004 1 3 1 1 ALA CA C 51.802 0.087 1 4 1 1 ALA CB C 18.898 0.042 1 5 2 2 LEU H H 11.190 0.021 1 6 2 2 LEU HB2 H 1.346 0.000 2 7 2 2 LEU HB3 H 1.645 0.000 2 8 2 2 LEU HD1 H 0.776 0.000 1 9 2 2 LEU HD2 H 0.808 0.000 1 10 2 2 LEU N N 124.742 0.059 1 11 3 3 ALA H H 9.386 0.007 1 12 3 3 ALA HA H 3.904 0.007 1 13 3 3 ALA HB H 1.392 0.004 1 14 3 3 ALA CA C 53.857 0.047 1 15 3 3 ALA CB C 18.969 0.061 1 16 3 3 ALA N N 123.175 0.032 1 17 4 4 GLY H H 8.877 0.006 1 18 4 4 GLY HA2 H 3.607 0.003 2 19 4 4 GLY HA3 H 4.236 0.007 2 20 4 4 GLY CA C 45.188 0.062 1 21 4 4 GLY N N 107.273 0.039 1 22 5 5 THR H H 7.744 0.011 1 23 5 5 THR HA H 4.983 0.008 1 24 5 5 THR HB H 4.458 0.006 1 25 5 5 THR HG2 H 1.229 0.002 1 26 5 5 THR CA C 60.532 0.079 1 27 5 5 THR CB C 72.039 0.052 1 28 5 5 THR N N 111.873 0.026 1 29 6 6 ILE H H 7.785 0.011 1 30 6 6 ILE HA H 5.639 0.005 1 31 6 6 ILE HB H 1.906 0.002 1 32 6 6 ILE HD1 H 1.004 0.002 1 33 6 6 ILE HG12 H 1.620 0.003 2 34 6 6 ILE HG13 H 1.376 0.006 2 35 6 6 ILE HG2 H 1.082 0.005 1 36 6 6 ILE CA C 58.110 0.061 1 37 6 6 ILE CB C 41.197 0.061 1 38 6 6 ILE CD1 C 14.313 0.087 1 39 6 6 ILE CG1 C 25.712 0.070 1 40 6 6 ILE CG2 C 18.759 0.061 1 41 6 6 ILE N N 110.473 0.071 1 42 7 7 ILE H H 9.017 0.011 1 43 7 7 ILE HA H 4.840 0.014 1 44 7 7 ILE HB H 2.028 0.004 1 45 7 7 ILE HD1 H 0.792 0.008 1 46 7 7 ILE HG12 H 0.874 0.000 2 47 7 7 ILE HG13 H 1.314 0.004 2 48 7 7 ILE HG2 H 0.877 0.012 1 49 7 7 ILE CA C 59.044 0.058 1 50 7 7 ILE CB C 43.169 0.072 1 51 7 7 ILE CD1 C 14.065 0.038 1 52 7 7 ILE CG1 C 25.325 0.088 1 53 7 7 ILE CG2 C 17.915 0.081 1 54 7 7 ILE N N 116.938 0.073 1 55 8 8 ALA H H 8.716 0.011 1 56 8 8 ALA HA H 4.350 0.006 1 57 8 8 ALA HB H 1.522 0.009 1 58 8 8 ALA CA C 53.508 0.048 1 59 8 8 ALA CB C 17.571 0.058 1 60 8 8 ALA N N 123.970 0.042 1 61 9 9 GLY H H 9.410 0.014 1 62 9 9 GLY HA2 H 3.471 0.006 2 63 9 9 GLY HA3 H 3.713 0.008 2 64 9 9 GLY CA C 48.476 0.057 1 65 9 9 GLY N N 115.466 0.028 1 66 10 10 ALA H H 8.422 0.006 1 67 10 10 ALA HA H 4.185 0.006 1 68 10 10 ALA HB H 1.417 0.004 1 69 10 10 ALA CA C 53.642 0.042 1 70 10 10 ALA CB C 18.198 0.074 1 71 10 10 ALA N N 120.279 0.023 1 72 11 11 SER H H 7.799 0.005 1 73 11 11 SER HA H 4.513 0.005 1 74 11 11 SER HB2 H 4.051 0.004 2 75 11 11 SER HB3 H 4.117 0.007 2 76 11 11 SER CA C 58.315 0.036 1 77 11 11 SER CB C 64.151 0.047 1 78 11 11 SER N N 111.504 0.038 1 79 12 12 LEU H H 7.428 0.013 1 80 12 12 LEU HA H 4.037 0.005 1 81 12 12 LEU HB2 H 1.087 0.013 2 82 12 12 LEU HB3 H 2.262 0.012 2 83 12 12 LEU HD1 H 0.873 0.010 1 84 12 12 LEU HD2 H 0.873 0.010 1 85 12 12 LEU HG H 1.010 0.001 1 86 12 12 LEU N N 122.106 0.034 1 87 13 13 THR H H 6.832 0.011 1 88 13 13 THR HA H 4.950 0.005 1 89 13 13 THR HB H 4.818 0.007 1 90 13 13 THR HG2 H 1.274 0.001 1 91 13 13 THR CA C 59.203 0.042 1 92 13 13 THR CB C 74.236 0.063 1 93 13 13 THR N N 117.116 0.038 1 94 14 14 PHE H H 9.319 0.026 1 95 14 14 PHE HA H 4.409 0.005 1 96 14 14 PHE HB2 H 3.200 0.014 2 97 14 14 PHE HB3 H 3.373 0.016 2 98 14 14 PHE HD1 H 7.350 0.010 1 99 14 14 PHE HD2 H 7.350 0.010 1 100 14 14 PHE HE1 H 7.110 0.003 1 101 14 14 PHE HE2 H 7.110 0.003 1 102 14 14 PHE HZ H 6.714 0.006 1 103 14 14 PHE CA C 59.282 0.030 1 104 14 14 PHE CB C 36.888 0.072 1 105 14 14 PHE N N 120.765 0.042 1 106 15 15 GLN H H 8.159 0.003 1 107 15 15 GLN HA H 4.293 0.005 1 108 15 15 GLN HB2 H 2.122 0.003 2 109 15 15 GLN HB3 H 2.212 0.007 2 110 15 15 GLN HG2 H 2.536 0.003 1 111 15 15 GLN HG3 H 2.536 0.003 1 112 15 15 GLN CA C 60.064 0.035 1 113 15 15 GLN CB C 27.924 0.012 1 114 15 15 GLN CG C 34.694 0.051 1 115 15 15 GLN N N 118.757 0.000 1 116 16 16 VAL H H 7.477 0.004 1 117 16 16 VAL HA H 3.715 0.007 1 118 16 16 VAL HB H 2.279 0.005 1 119 16 16 VAL HG1 H 1.018 0.006 2 120 16 16 VAL HG2 H 1.253 0.008 2 121 16 16 VAL CA C 66.278 0.060 1 122 16 16 VAL CB C 32.235 0.070 1 123 16 16 VAL CG1 C 21.767 0.091 2 124 16 16 VAL CG2 C 22.624 0.047 2 125 16 16 VAL N N 120.948 0.041 1 126 17 17 LEU H H 7.448 0.017 1 127 17 17 LEU HA H 3.977 0.004 1 128 17 17 LEU HB2 H 1.149 0.005 2 129 17 17 LEU HB3 H 1.826 0.009 2 130 17 17 LEU HD1 H 0.650 0.005 1 131 17 17 LEU HD2 H 0.650 0.005 1 132 17 17 LEU HG H 0.807 0.009 1 133 17 17 LEU N N 117.978 0.062 1 134 18 18 ASP H H 8.617 0.015 1 135 18 18 ASP HA H 4.524 0.010 1 136 18 18 ASP HB2 H 2.633 0.019 2 137 18 18 ASP HB3 H 2.873 0.009 2 138 18 18 ASP CA C 57.671 0.072 1 139 18 18 ASP CB C 39.807 0.021 1 140 18 18 ASP N N 120.862 0.043 1 141 19 19 LYS H H 7.454 0.010 1 142 19 19 LYS HA H 4.137 0.006 1 143 19 19 LYS HB2 H 1.876 0.005 2 144 19 19 LYS HB3 H 2.170 0.006 2 145 19 19 LYS HD2 H 1.699 0.003 1 146 19 19 LYS HD3 H 1.699 0.003 1 147 19 19 LYS HE2 H 3.001 0.011 1 148 19 19 LYS HE3 H 3.001 0.011 1 149 19 19 LYS HG2 H 1.514 0.004 2 150 19 19 LYS HG3 H 1.704 0.005 2 151 19 19 LYS CA C 59.164 0.071 1 152 19 19 LYS CB C 31.447 0.051 1 153 19 19 LYS CD C 28.988 0.078 1 154 19 19 LYS CE C 41.903 0.027 1 155 19 19 LYS CG C 25.143 0.066 1 156 19 19 LYS N N 121.411 0.032 1 157 20 20 VAL H H 7.687 0.011 1 158 20 20 VAL HA H 3.663 0.006 1 159 20 20 VAL HB H 2.476 0.013 1 160 20 20 VAL HG1 H 1.002 0.004 2 161 20 20 VAL HG2 H 1.026 0.002 2 162 20 20 VAL CA C 66.017 0.059 1 163 20 20 VAL CB C 30.816 0.093 1 164 20 20 VAL CG1 C 22.785 0.029 1 165 20 20 VAL CG2 C 22.785 0.029 1 166 20 20 VAL N N 121.982 0.057 1 167 21 21 LEU H H 8.158 0.014 1 168 21 21 LEU HA H 3.992 0.011 1 169 21 21 LEU HB2 H 1.242 0.002 2 170 21 21 LEU HB3 H 2.232 0.005 2 171 21 21 LEU HD1 H 0.727 0.016 1 172 21 21 LEU HD2 H 0.727 0.016 1 173 21 21 LEU HG H 1.702 0.015 1 174 21 21 LEU N N 118.262 0.063 1 175 22 22 GLU H H 8.120 0.006 1 176 22 22 GLU HA H 4.051 0.013 1 177 22 22 GLU HB2 H 2.217 0.007 1 178 22 22 GLU HB3 H 2.217 0.007 1 179 22 22 GLU HG2 H 2.448 0.030 2 180 22 22 GLU HG3 H 2.553 0.029 2 181 22 22 GLU CA C 58.944 0.091 1 182 22 22 GLU CB C 28.653 0.096 1 183 22 22 GLU CG C 34.072 0.073 1 184 22 22 GLU N N 120.836 0.080 1 185 23 23 GLU H H 7.751 0.011 1 186 23 23 GLU HA H 4.286 0.008 1 187 23 23 GLU HB2 H 2.145 0.006 2 188 23 23 GLU HB3 H 2.331 0.008 2 189 23 23 GLU HG2 H 2.371 0.004 2 190 23 23 GLU HG3 H 2.948 0.012 2 191 23 23 GLU CA C 57.588 0.042 1 192 23 23 GLU CB C 28.396 0.079 1 193 23 23 GLU CG C 34.917 0.046 1 194 23 23 GLU N N 119.796 0.061 1 195 24 24 LEU H H 7.209 0.010 1 196 24 24 LEU HA H 4.237 0.006 1 197 24 24 LEU HB2 H 1.446 0.012 2 198 24 24 LEU HB3 H 1.962 0.017 2 199 24 24 LEU HD1 H 0.889 0.001 1 200 24 24 LEU HD2 H 0.889 0.001 1 201 24 24 LEU HG H 0.986 0.008 1 202 24 24 LEU N N 119.835 0.049 1 203 25 25 GLY H H 7.378 0.003 1 204 25 25 GLY HA2 H 3.871 0.007 2 205 25 25 GLY HA3 H 4.131 0.010 2 206 25 25 GLY CA C 44.599 0.094 1 207 25 25 GLY N N 103.913 0.028 1 208 26 26 LYS H H 8.594 0.005 1 209 26 26 LYS HA H 4.323 0.005 1 210 26 26 LYS HB2 H 1.726 0.006 2 211 26 26 LYS HB3 H 1.885 0.003 2 212 26 26 LYS HD2 H 1.705 0.003 1 213 26 26 LYS HD3 H 1.705 0.003 1 214 26 26 LYS HE2 H 3.018 0.002 1 215 26 26 LYS HE3 H 3.018 0.002 1 216 26 26 LYS HG2 H 1.384 0.005 2 217 26 26 LYS HG3 H 1.459 0.020 2 218 26 26 LYS CA C 56.391 0.046 1 219 26 26 LYS CB C 30.721 0.030 1 220 26 26 LYS CD C 29.221 0.119 1 221 26 26 LYS CE C 41.935 0.059 1 222 26 26 LYS CG C 24.677 0.069 1 223 26 26 LYS N N 122.317 0.040 1 224 27 27 VAL H H 7.620 0.006 1 225 27 27 VAL HA H 4.453 0.008 1 226 27 27 VAL HB H 2.051 0.004 1 227 27 27 VAL HG1 H 0.966 0.006 2 228 27 27 VAL HG2 H 0.985 0.005 2 229 27 27 VAL CA C 60.693 0.062 1 230 27 27 VAL CB C 33.956 0.045 1 231 27 27 VAL CG1 C 20.720 0.000 2 232 27 27 VAL CG2 C 21.444 0.047 2 233 27 27 VAL N N 122.655 0.049 1 234 28 28 SER H H 8.447 0.006 1 235 28 28 SER HA H 4.273 0.008 1 236 28 28 SER HB2 H 3.910 0.004 2 237 28 28 SER HB3 H 3.987 0.004 2 238 28 28 SER CA C 60.805 0.049 1 239 28 28 SER CB C 63.544 0.030 1 240 28 28 SER N N 118.080 0.052 1 241 29 29 GLN H H 7.242 0.000 1 242 29 29 GLN HA H 4.477 0.000 1 243 29 29 GLN HE21 H 6.461 0.003 2 244 29 29 GLN HE22 H 7.188 0.000 2 245 29 29 GLN N N 117.209 0.009 1 246 29 29 GLN NE2 N 111.168 0.005 1 247 30 30 LYS HA H 4.919 0.011 1 248 30 30 LYS HB2 H 1.753 0.005 2 249 30 30 LYS HB3 H 2.137 0.000 2 250 30 30 LYS CA C 54.593 0.069 1 251 30 30 LYS CB C 34.998 0.065 1 252 31 31 ILE H H 8.615 0.011 1 253 31 31 ILE HA H 5.274 0.006 1 254 31 31 ILE HB H 1.299 0.002 1 255 31 31 ILE HD1 H 0.298 0.002 1 256 31 31 ILE HG12 H 0.292 0.009 2 257 31 31 ILE HG13 H 0.983 0.012 2 258 31 31 ILE HG2 H -0.077 0.006 1 259 31 31 ILE CA C 57.859 0.055 1 260 31 31 ILE CB C 41.332 0.017 1 261 31 31 ILE CD1 C 15.544 0.070 1 262 31 31 ILE CG1 C 28.179 0.078 1 263 31 31 ILE CG2 C 13.630 0.088 1 264 31 31 ILE N N 116.259 0.040 1 265 32 32 ALA H H 7.978 0.013 1 266 32 32 ALA HA H 4.703 0.009 1 267 32 32 ALA HB H 1.264 0.008 1 268 32 32 ALA CA C 49.875 0.032 1 269 32 32 ALA CB C 25.123 0.051 1 270 32 32 ALA N N 127.966 0.037 1 271 33 33 VAL H H 8.679 0.016 1 272 33 33 VAL HA H 5.006 0.008 1 273 33 33 VAL HB H 1.857 0.005 1 274 33 33 VAL HG1 H 0.760 0.008 2 275 33 33 VAL HG2 H 1.103 0.005 2 276 33 33 VAL CA C 60.293 0.040 1 277 33 33 VAL CB C 35.226 0.066 1 278 33 33 VAL CG1 C 21.557 0.034 2 279 33 33 VAL CG2 C 21.585 0.000 2 280 33 33 VAL N N 122.183 0.022 1 281 34 34 GLY H H 9.065 0.012 1 282 34 34 GLY HA2 H 3.466 0.011 2 283 34 34 GLY HA3 H 5.997 0.009 2 284 34 34 GLY CA C 45.478 0.038 1 285 34 34 GLY N N 113.319 0.030 1 286 35 35 ILE H H 8.523 0.013 1 287 35 35 ILE HA H 5.417 0.011 1 288 35 35 ILE HB H 2.125 0.008 1 289 35 35 ILE HD1 H 1.159 0.004 1 290 35 35 ILE HG12 H 1.748 0.004 1 291 35 35 ILE HG13 H 1.748 0.004 1 292 35 35 ILE HG2 H 1.105 0.002 1 293 35 35 ILE CA C 59.587 0.019 1 294 35 35 ILE CB C 39.991 0.095 1 295 35 35 ILE CD1 C 14.631 0.043 1 296 35 35 ILE CG1 C 26.743 0.043 1 297 35 35 ILE CG2 C 17.290 0.047 1 298 35 35 ILE N N 121.753 0.044 1 299 36 36 ASP H H 9.426 0.012 1 300 36 36 ASP HA H 4.559 0.010 1 301 36 36 ASP HB2 H 2.673 0.004 2 302 36 36 ASP HB3 H 2.986 0.004 2 303 36 36 ASP CA C 53.246 0.074 1 304 36 36 ASP CB C 41.706 0.012 1 305 36 36 ASP N N 126.291 0.029 1 306 37 37 ASN H H 8.778 0.013 1 307 37 37 ASN HA H 4.491 0.009 1 308 37 37 ASN HB2 H 3.054 0.005 1 309 37 37 ASN HB3 H 3.054 0.005 1 310 37 37 ASN HD21 H 6.200 0.002 2 311 37 37 ASN HD22 H 7.127 0.002 2 312 37 37 ASN CA C 52.965 0.057 1 313 37 37 ASN CB C 36.168 0.044 1 314 37 37 ASN N N 125.851 0.029 1 315 37 37 ASN ND2 N 106.016 0.031 1 316 38 38 GLU H H 8.473 0.010 1 317 38 38 GLU HA H 5.022 0.007 1 318 38 38 GLU HB2 H 2.540 0.006 1 319 38 38 GLU HB3 H 2.540 0.006 1 320 38 38 GLU HG2 H 2.335 0.006 1 321 38 38 GLU HG3 H 2.335 0.006 1 322 38 38 GLU CA C 53.003 0.041 1 323 38 38 GLU CB C 26.286 0.064 1 324 38 38 GLU CG C 31.959 0.042 1 325 38 38 GLU N N 125.641 0.064 1 326 39 39 SER H H 8.933 0.017 1 327 39 39 SER HA H 4.091 0.007 1 328 39 39 SER HB2 H 4.105 0.006 2 329 39 39 SER HB3 H 4.432 0.007 2 330 39 39 SER CA C 60.358 0.060 1 331 39 39 SER CB C 66.091 0.067 1 332 39 39 SER N N 114.807 0.016 1 333 40 40 GLY H H 8.466 0.006 1 334 40 40 GLY HA2 H 3.511 0.007 2 335 40 40 GLY HA3 H 4.523 0.007 2 336 40 40 GLY CA C 45.128 0.051 1 337 40 40 GLY N N 111.638 0.082 1 338 41 41 GLY H H 7.469 0.006 1 339 41 41 GLY HA2 H 4.072 0.010 2 340 41 41 GLY HA3 H 4.556 0.020 2 341 41 41 GLY CA C 44.448 0.078 1 342 41 41 GLY N N 106.108 0.023 1 343 42 42 THR H H 8.756 0.004 1 344 42 42 THR HA H 4.305 0.008 1 345 42 42 THR HB H 4.077 0.006 1 346 42 42 THR HG2 H 1.236 0.006 1 347 42 42 THR CA C 62.794 0.054 1 348 42 42 THR CB C 70.039 0.098 1 349 42 42 THR CG2 C 23.017 0.072 1 350 42 42 THR N N 116.951 0.077 1 351 43 43 TRP H H 8.107 0.016 1 352 43 43 TRP HA H 5.960 0.006 1 353 43 43 TRP HB2 H 3.251 0.008 2 354 43 43 TRP HB3 H 3.332 0.006 2 355 43 43 TRP HD1 H 7.096 0.005 1 356 43 43 TRP HE1 H 8.822 0.007 1 357 43 43 TRP HE3 H 6.521 0.002 1 358 43 43 TRP HH2 H 6.916 0.004 1 359 43 43 TRP HZ2 H 7.058 0.002 1 360 43 43 TRP HZ3 H 6.921 0.002 1 361 43 43 TRP CA C 52.690 0.083 1 362 43 43 TRP CB C 32.869 0.088 1 363 43 43 TRP N N 126.373 0.035 1 364 43 43 TRP NE1 N 125.500 0.000 1 365 44 44 THR H H 9.636 0.012 1 366 44 44 THR HA H 5.688 0.008 1 367 44 44 THR HB H 4.265 0.005 1 368 44 44 THR HG2 H 1.459 0.008 1 369 44 44 THR CA C 60.912 0.043 1 370 44 44 THR CB C 71.494 0.068 1 371 44 44 THR CG2 C 21.223 0.104 1 372 44 44 THR N N 118.207 0.027 1 373 45 45 ALA H H 9.400 0.028 1 374 45 45 ALA HA H 3.012 0.006 1 375 45 45 ALA HB H 1.147 0.007 1 376 45 45 ALA CA C 54.542 0.028 1 377 45 45 ALA CB C 19.517 0.048 1 378 45 45 ALA N N 131.392 0.035 1 379 46 46 LEU H H 7.852 0.018 1 380 46 46 LEU HA H 4.630 0.018 1 381 46 46 LEU HB2 H 1.304 0.003 2 382 46 46 LEU HB3 H 1.730 0.015 2 383 46 46 LEU HD1 H 0.677 0.010 1 384 46 46 LEU HD2 H 0.677 0.010 1 385 46 46 LEU HG H 1.324 0.003 1 386 46 46 LEU N N 120.909 0.042 1 387 47 47 ASN H H 7.499 0.011 1 388 47 47 ASN HA H 4.701 0.010 1 389 47 47 ASN HB2 H 2.834 0.010 2 390 47 47 ASN HB3 H 3.039 0.006 2 391 47 47 ASN HD21 H 7.295 0.014 2 392 47 47 ASN HD22 H 8.079 0.009 2 393 47 47 ASN CA C 53.060 0.029 1 394 47 47 ASN CB C 39.426 0.064 1 395 47 47 ASN N N 114.382 0.032 1 396 47 47 ASN ND2 N 115.338 0.060 1 397 48 48 ALA H H 8.733 0.005 1 398 48 48 ALA HA H 5.027 0.005 1 399 48 48 ALA HB H 1.580 0.007 1 400 48 48 ALA CA C 50.964 0.062 1 401 48 48 ALA CB C 23.303 0.077 1 402 48 48 ALA N N 120.522 0.044 1 403 49 49 TYR H H 9.558 0.014 1 404 49 49 TYR HA H 4.902 0.004 1 405 49 49 TYR HB2 H 2.625 0.003 2 406 49 49 TYR HB3 H 2.698 0.005 2 407 49 49 TYR HD1 H 6.904 0.003 1 408 49 49 TYR HD2 H 6.904 0.003 1 409 49 49 TYR HE1 H 6.545 0.003 1 410 49 49 TYR HE2 H 6.545 0.003 1 411 49 49 TYR CA C 56.300 0.061 1 412 49 49 TYR CB C 40.083 0.051 1 413 49 49 TYR N N 125.051 0.029 1 414 50 50 PHE H H 8.606 0.004 1 415 50 50 PHE HA H 4.349 0.004 1 416 50 50 PHE HB2 H 2.411 0.011 2 417 50 50 PHE HB3 H 2.793 0.006 2 418 50 50 PHE HD1 H 7.185 0.004 1 419 50 50 PHE HD2 H 7.185 0.004 1 420 50 50 PHE HE1 H 7.327 0.004 1 421 50 50 PHE HE2 H 7.327 0.004 1 422 50 50 PHE CA C 56.895 0.037 1 423 50 50 PHE N N 126.904 0.034 1 424 51 51 ARG H H 7.951 0.008 1 425 51 51 ARG HA H 3.765 0.006 1 426 51 51 ARG HB2 H 0.863 0.005 2 427 51 51 ARG HB3 H 1.019 0.008 2 428 51 51 ARG HD2 H 2.580 0.004 2 429 51 51 ARG HD3 H 2.753 0.003 2 430 51 51 ARG HG2 H 1.177 0.002 2 431 51 51 ARG HG3 H 1.237 0.005 2 432 51 51 ARG CA C 56.362 0.070 1 433 51 51 ARG CB C 30.678 0.040 1 434 51 51 ARG CD C 42.720 0.062 1 435 51 51 ARG CG C 26.150 0.060 1 436 51 51 ARG N N 127.299 0.027 1 437 52 52 SER H H 8.029 0.005 1 438 52 52 SER HA H 4.702 0.011 1 439 52 52 SER HB2 H 3.433 0.009 2 440 52 52 SER HB3 H 3.728 0.007 2 441 52 52 SER CA C 57.998 0.057 1 442 52 52 SER CB C 65.896 0.067 1 443 52 52 SER N N 112.320 0.037 1 444 53 53 GLY H H 8.636 0.013 1 445 53 53 GLY HA2 H 3.765 0.012 2 446 53 53 GLY HA3 H 4.844 0.010 2 447 53 53 GLY CA C 45.003 0.059 1 448 53 53 GLY N N 112.928 0.029 1 449 54 54 THR H H 8.987 0.014 1 450 54 54 THR HA H 3.507 0.013 1 451 54 54 THR HB H 3.921 0.009 1 452 54 54 THR HG2 H 0.800 0.008 1 453 54 54 THR CA C 59.069 0.070 1 454 54 54 THR CB C 68.620 0.029 1 455 54 54 THR CG2 C 17.944 0.023 1 456 54 54 THR N N 111.776 0.039 1 457 55 55 THR H H 7.687 0.010 1 458 55 55 THR HA H 4.519 0.009 1 459 55 55 THR HB H 4.134 0.007 1 460 55 55 THR HG2 H 1.101 0.008 1 461 55 55 THR CA C 58.953 0.033 1 462 55 55 THR CB C 68.648 0.070 1 463 55 55 THR CG2 C 19.707 0.000 1 464 55 55 THR N N 112.790 0.023 1 465 56 56 ASP H H 8.873 0.011 1 466 56 56 ASP HA H 4.911 0.003 1 467 56 56 ASP HB2 H 2.436 0.002 2 468 56 56 ASP HB3 H 2.873 0.025 2 469 56 56 ASP CA C 53.793 0.074 1 470 56 56 ASP CB C 42.716 0.077 1 471 56 56 ASP N N 124.069 0.073 1 472 57 57 VAL H H 7.953 0.014 1 473 57 57 VAL HA H 4.773 0.011 1 474 57 57 VAL HB H 2.231 0.007 1 475 57 57 VAL HG1 H 0.755 0.004 2 476 57 57 VAL HG2 H 0.776 0.004 2 477 57 57 VAL CA C 59.555 0.071 1 478 57 57 VAL CB C 34.769 0.070 1 479 57 57 VAL CG1 C 18.595 0.010 2 480 57 57 VAL CG2 C 21.090 0.039 2 481 57 57 VAL N N 114.160 0.023 1 482 58 58 ILE H H 8.182 0.003 1 483 58 58 ILE HA H 4.386 0.008 1 484 58 58 ILE HB H 1.884 0.004 1 485 58 58 ILE HD1 H 0.941 0.006 1 486 58 58 ILE HG12 H 1.255 0.004 2 487 58 58 ILE HG13 H 1.507 0.004 2 488 58 58 ILE HG2 H 1.045 0.004 1 489 58 58 ILE CA C 59.789 0.063 1 490 58 58 ILE CB C 39.505 0.099 1 491 58 58 ILE CD1 C 12.860 0.082 1 492 58 58 ILE CG1 C 27.128 0.067 1 493 58 58 ILE CG2 C 17.385 0.029 1 494 58 58 ILE N N 120.467 0.059 1 495 59 59 LEU H H 7.969 0.038 1 496 59 59 LEU HA H 4.050 0.005 1 497 59 59 LEU HB2 H 1.223 0.004 2 498 59 59 LEU HB3 H 1.391 0.013 2 499 59 59 LEU HD1 H -0.122 0.002 2 500 59 59 LEU HD2 H 0.271 0.004 2 501 59 59 LEU HG H 1.322 0.002 1 502 59 59 LEU N N 126.914 0.039 1 503 60 60 PRO HA H 4.291 0.004 1 504 60 60 PRO HB2 H 1.775 0.007 2 505 60 60 PRO HB3 H 2.280 0.004 2 506 60 60 PRO HD2 H 3.700 0.004 1 507 60 60 PRO HD3 H 3.700 0.004 1 508 60 60 PRO HG2 H 2.177 0.004 2 509 60 60 PRO HG3 H 1.891 0.002 2 510 60 60 PRO CA C 63.555 0.039 1 511 60 60 PRO CB C 31.660 0.077 1 512 60 60 PRO CD C 49.582 0.043 1 513 60 60 PRO CG C 28.331 0.089 1 514 61 61 GLU H H 8.712 0.006 1 515 61 61 GLU HA H 3.875 0.008 1 516 61 61 GLU HB2 H 1.831 0.008 2 517 61 61 GLU HB3 H 2.115 0.007 2 518 61 61 GLU HG2 H 1.860 0.007 2 519 61 61 GLU HG3 H 2.056 0.005 2 520 61 61 GLU CA C 60.044 0.080 1 521 61 61 GLU CB C 28.756 0.084 1 522 61 61 GLU CG C 32.294 0.066 1 523 61 61 GLU N N 125.484 0.040 1 524 62 62 PHE H H 7.772 0.012 1 525 62 62 PHE HA H 5.920 0.011 1 526 62 62 PHE HB2 H 2.950 0.005 2 527 62 62 PHE HB3 H 3.058 0.009 2 528 62 62 PHE HD1 H 7.401 0.007 1 529 62 62 PHE HD2 H 7.401 0.007 1 530 62 62 PHE HE1 H 7.455 0.001 1 531 62 62 PHE HE2 H 7.455 0.001 1 532 62 62 PHE CA C 55.453 0.082 1 533 62 62 PHE CB C 42.479 0.024 1 534 62 62 PHE N N 112.695 0.049 1 535 63 63 VAL H H 9.127 0.017 1 536 63 63 VAL HA H 4.507 0.008 1 537 63 63 VAL HB H 2.030 0.011 1 538 63 63 VAL HG1 H 0.603 0.006 2 539 63 63 VAL HG2 H 0.859 0.003 2 540 63 63 VAL CA C 58.840 0.066 1 541 63 63 VAL CB C 32.751 0.050 1 542 63 63 VAL CG1 C 21.297 0.077 2 543 63 63 VAL CG2 C 20.528 0.020 2 544 63 63 VAL N N 121.225 0.032 1 545 64 64 PRO HA H 4.513 0.003 1 546 64 64 PRO HB2 H 2.429 0.008 2 547 64 64 PRO HB3 H 1.680 0.006 2 548 64 64 PRO HD2 H 3.287 0.011 2 549 64 64 PRO HD3 H 3.796 0.011 2 550 64 64 PRO HG2 H 2.052 0.008 2 551 64 64 PRO HG3 H 1.901 0.009 2 552 64 64 PRO CA C 62.060 0.050 1 553 64 64 PRO CB C 32.227 0.046 1 554 64 64 PRO CD C 51.304 0.058 1 555 64 64 PRO CG C 27.079 0.071 1 556 65 65 ASN H H 8.563 0.003 1 557 65 65 ASN HA H 4.256 0.011 1 558 65 65 ASN HB2 H 2.150 0.006 2 559 65 65 ASN HB3 H 2.479 0.009 2 560 65 65 ASN HD21 H 7.126 0.004 2 561 65 65 ASN HD22 H 7.875 0.009 2 562 65 65 ASN CA C 54.680 0.043 1 563 65 65 ASN CB C 39.309 0.068 1 564 65 65 ASN N N 118.125 0.031 1 565 65 65 ASN ND2 N 116.569 0.036 1 566 66 66 THR H H 9.196 0.008 1 567 66 66 THR HA H 4.868 0.007 1 568 66 66 THR HB H 4.576 0.009 1 569 66 66 THR HG2 H 1.220 0.010 1 570 66 66 THR CA C 65.272 0.077 1 571 66 66 THR CB C 68.926 0.074 1 572 66 66 THR CG2 C 21.878 0.000 1 573 66 66 THR N N 119.182 0.061 1 574 67 67 LYS H H 7.835 0.014 1 575 67 67 LYS HA H 4.959 0.008 1 576 67 67 LYS HB2 H 1.748 0.009 2 577 67 67 LYS HB3 H 2.097 0.012 2 578 67 67 LYS HG2 H 1.200 0.003 1 579 67 67 LYS HG3 H 1.200 0.003 1 580 67 67 LYS CA C 52.967 0.047 1 581 67 67 LYS CB C 32.715 0.051 1 582 67 67 LYS CG C 24.935 0.063 1 583 67 67 LYS N N 120.408 0.077 1 584 68 68 ALA H H 9.391 0.011 1 585 68 68 ALA HA H 5.858 0.010 1 586 68 68 ALA HB H 1.155 0.004 1 587 68 68 ALA CA C 48.663 0.088 1 588 68 68 ALA CB C 23.330 0.072 1 589 68 68 ALA N N 118.308 0.095 1 590 69 69 LEU H H 8.667 0.015 1 591 69 69 LEU HA H 5.025 0.008 1 592 69 69 LEU HB2 H 1.672 0.003 2 593 69 69 LEU HB3 H 1.829 0.003 2 594 69 69 LEU HD1 H 0.823 0.002 1 595 69 69 LEU HD2 H 0.823 0.002 1 596 69 69 LEU HG H 2.244 0.006 1 597 69 69 LEU N N 118.351 0.077 1 598 70 70 LEU H H 8.082 0.013 1 599 70 70 LEU HA H 5.697 0.011 1 600 70 70 LEU HB2 H 1.008 0.013 2 601 70 70 LEU HB3 H 2.251 0.014 2 602 70 70 LEU HD1 H 0.680 0.013 2 603 70 70 LEU HD2 H 0.863 0.005 2 604 70 70 LEU HG H 1.619 0.003 1 605 70 70 LEU N N 119.371 0.049 1 606 71 71 TYR H H 9.868 0.012 1 607 71 71 TYR HA H 4.862 0.016 1 608 71 71 TYR HB2 H 2.834 0.004 2 609 71 71 TYR HB3 H 2.179 0.006 2 610 71 71 TYR HD1 H 6.634 0.004 1 611 71 71 TYR HD2 H 6.634 0.004 1 612 71 71 TYR HE1 H 6.493 0.003 1 613 71 71 TYR HE2 H 6.493 0.003 1 614 71 71 TYR CA C 56.158 0.067 1 615 71 71 TYR CB C 42.422 0.059 1 616 71 71 TYR N N 125.022 0.023 1 617 72 72 SER H H 6.052 0.015 1 618 72 72 SER HA H 5.156 0.008 1 619 72 72 SER HB2 H 3.636 0.007 2 620 72 72 SER HB3 H 3.990 0.005 2 621 72 72 SER CA C 56.016 0.035 1 622 72 72 SER CB C 66.020 0.049 1 623 72 72 SER N N 115.980 0.015 1 624 73 73 GLY H H 8.071 0.014 1 625 73 73 GLY HA2 H 4.734 0.004 2 626 73 73 GLY HA3 H 3.655 0.004 2 627 73 73 GLY CA C 44.136 0.085 1 628 73 73 GLY N N 102.051 0.006 1 629 74 74 ARG H H 9.213 0.005 1 630 74 74 ARG HA H 5.132 0.011 1 631 74 74 ARG CA C 55.136 0.043 1 632 74 74 ARG CB C 33.259 0.054 1 633 74 74 ARG CG C 25.619 0.000 1 634 74 74 ARG N N 113.391 0.049 1 635 75 75 LYS H H 7.610 0.016 1 636 75 75 LYS HA H 4.482 0.009 1 637 75 75 LYS HB2 H 1.842 0.003 2 638 75 75 LYS HB3 H 2.275 0.004 2 639 75 75 LYS HD2 H 2.042 0.004 1 640 75 75 LYS HD3 H 2.042 0.004 1 641 75 75 LYS HE2 H 3.323 0.008 2 642 75 75 LYS HE3 H 3.394 0.004 2 643 75 75 LYS HG2 H 1.510 0.007 2 644 75 75 LYS HG3 H 1.830 0.005 2 645 75 75 LYS CA C 55.759 0.049 1 646 75 75 LYS CB C 32.378 0.096 1 647 75 75 LYS CD C 28.694 0.048 1 648 75 75 LYS CE C 41.763 0.059 1 649 75 75 LYS CG C 21.947 0.063 1 650 75 75 LYS N N 116.157 0.109 1 651 76 76 ASP H H 8.378 0.005 1 652 76 76 ASP HA H 4.509 0.001 1 653 76 76 ASP HB2 H 2.535 0.012 2 654 76 76 ASP HB3 H 2.771 0.029 2 655 76 76 ASP CA C 54.215 0.034 1 656 76 76 ASP CB C 41.534 0.059 1 657 76 76 ASP N N 121.006 0.049 1 658 77 77 THR H H 8.482 0.003 1 659 77 77 THR HA H 4.249 0.005 1 660 77 77 THR HB H 4.274 0.007 1 661 77 77 THR HG2 H 1.278 0.006 1 662 77 77 THR CA C 62.855 0.041 1 663 77 77 THR CB C 69.338 0.098 1 664 77 77 THR CG2 C 21.958 0.043 1 665 77 77 THR N N 114.410 0.024 1 666 78 78 GLY H H 8.433 0.003 1 667 78 78 GLY HA2 H 3.993 0.006 2 668 78 78 GLY HA3 H 4.508 0.002 2 669 78 78 GLY CA C 44.596 0.053 1 670 78 78 GLY N N 111.708 0.020 1 671 79 79 PRO HA H 4.564 0.002 1 672 79 79 PRO HB2 H 2.192 0.005 2 673 79 79 PRO HB3 H 2.157 0.002 2 674 79 79 PRO HD2 H 3.570 0.006 2 675 79 79 PRO HD3 H 3.758 0.004 2 676 79 79 PRO HG2 H 1.964 0.008 2 677 79 79 PRO HG3 H 2.101 0.005 2 678 79 79 PRO CA C 63.949 0.023 1 679 79 79 PRO CB C 31.395 0.062 1 680 79 79 PRO CD C 49.376 0.079 1 681 79 79 PRO CG C 26.752 0.057 1 682 80 80 VAL H H 7.740 0.005 1 683 80 80 VAL HA H 4.090 0.005 1 684 80 80 VAL HB H 2.020 0.004 1 685 80 80 VAL HG1 H 0.878 0.006 2 686 80 80 VAL HG2 H 0.915 0.003 2 687 80 80 VAL CA C 61.765 0.059 1 688 80 80 VAL CB C 32.500 0.078 1 689 80 80 VAL CG1 C 20.693 0.048 2 690 80 80 VAL CG2 C 20.766 0.035 2 691 80 80 VAL N N 119.493 0.030 1 692 81 81 ALA H H 8.473 0.003 1 693 81 81 ALA HA H 3.992 0.010 1 694 81 81 ALA HB H 1.051 0.004 1 695 81 81 ALA CA C 51.812 0.053 1 696 81 81 ALA CB C 17.768 0.074 1 697 81 81 ALA N N 130.873 0.032 1 698 82 82 THR H H 7.474 0.009 1 699 82 82 THR HA H 4.508 0.001 1 700 82 82 THR HB H 4.449 0.008 1 701 82 82 THR HG2 H 1.222 0.004 1 702 82 82 THR CA C 60.918 0.085 1 703 82 82 THR CB C 71.613 0.043 1 704 82 82 THR CG2 C 21.435 0.021 1 705 82 82 THR N N 111.079 0.042 1 706 83 83 GLY H H 8.248 0.006 1 707 83 83 GLY HA2 H 3.906 0.007 2 708 83 83 GLY HA3 H 4.208 0.004 2 709 83 83 GLY CA C 43.855 0.059 1 710 83 83 GLY N N 108.402 0.072 1 711 84 84 ALA H H 8.971 0.017 1 712 84 84 ALA HA H 4.830 0.009 1 713 84 84 ALA HB H 1.060 0.009 1 714 84 84 ALA CA C 51.191 0.062 1 715 84 84 ALA CB C 18.636 0.082 1 716 84 84 ALA N N 124.962 0.064 1 717 85 85 VAL H H 8.847 0.006 1 718 85 85 VAL HA H 4.897 0.008 1 719 85 85 VAL HB H 1.712 0.005 1 720 85 85 VAL HG1 H 0.926 0.004 2 721 85 85 VAL HG2 H 0.771 0.008 2 722 85 85 VAL CA C 60.654 0.052 1 723 85 85 VAL CB C 35.446 0.061 1 724 85 85 VAL CG1 C 19.146 0.018 2 725 85 85 VAL CG2 C 22.154 0.011 2 726 85 85 VAL N N 124.337 0.063 1 727 86 86 ALA H H 8.370 0.012 1 728 86 86 ALA HA H 4.735 0.007 1 729 86 86 ALA HB H -0.119 0.003 1 730 86 86 ALA CA C 50.705 0.061 1 731 86 86 ALA CB C 22.427 0.064 1 732 86 86 ALA N N 128.295 0.040 1 733 87 87 ALA H H 8.729 0.017 1 734 87 87 ALA HA H 5.835 0.006 1 735 87 87 ALA HB H 1.257 0.006 1 736 87 87 ALA CA C 49.822 0.041 1 737 87 87 ALA CB C 22.232 0.088 1 738 87 87 ALA N N 117.039 0.035 1 739 88 88 PHE H H 9.380 0.016 1 740 88 88 PHE HA H 5.357 0.008 1 741 88 88 PHE HB2 H 2.864 0.004 2 742 88 88 PHE HB3 H 3.138 0.013 2 743 88 88 PHE HD1 H 6.998 0.005 1 744 88 88 PHE HD2 H 6.998 0.005 1 745 88 88 PHE HE1 H 7.259 0.003 1 746 88 88 PHE HE2 H 7.259 0.003 1 747 88 88 PHE CA C 56.099 0.001 1 748 88 88 PHE CB C 41.556 0.052 1 749 88 88 PHE N N 116.968 0.080 1 750 89 89 ALA H H 8.081 0.011 1 751 89 89 ALA HA H 5.991 0.007 1 752 89 89 ALA HB H 1.323 0.005 1 753 89 89 ALA CA C 50.536 0.096 1 754 89 89 ALA CB C 24.097 0.068 1 755 89 89 ALA N N 120.381 0.034 1 756 90 90 TYR H H 9.003 0.015 1 757 90 90 TYR HA H 4.583 0.009 1 758 90 90 TYR HB2 H 2.431 0.006 2 759 90 90 TYR HB3 H 2.570 0.005 2 760 90 90 TYR HD1 H 6.936 0.003 1 761 90 90 TYR HD2 H 6.936 0.003 1 762 90 90 TYR HE1 H 6.494 0.004 1 763 90 90 TYR HE2 H 6.494 0.004 1 764 90 90 TYR CA C 57.946 0.057 1 765 90 90 TYR CB C 43.178 0.064 1 766 90 90 TYR N N 119.604 0.037 1 767 91 91 TYR H H 9.967 0.016 1 768 91 91 TYR HA H 4.966 0.007 1 769 91 91 TYR HB2 H 2.833 0.004 2 770 91 91 TYR HB3 H 3.144 0.005 2 771 91 91 TYR HD1 H 7.051 0.016 1 772 91 91 TYR HD2 H 7.051 0.016 1 773 91 91 TYR HE1 H 6.574 0.002 1 774 91 91 TYR HE2 H 6.574 0.002 1 775 91 91 TYR CA C 56.506 0.080 1 776 91 91 TYR CB C 39.059 0.084 1 777 91 91 TYR N N 124.415 0.050 1 778 92 92 MET H H 8.886 0.020 1 779 92 92 MET HA H 4.851 0.008 1 780 92 92 MET HB2 H 2.036 0.013 2 781 92 92 MET HB3 H 2.320 0.039 2 782 92 92 MET HE H 1.748 0.005 1 783 92 92 MET CA C 56.026 0.022 1 784 92 92 MET CB C 35.000 0.000 1 785 92 92 MET N N 127.096 0.025 1 786 93 93 SER H H 8.174 0.007 1 787 93 93 SER HA H 4.186 0.006 1 788 93 93 SER HB2 H 4.302 0.012 1 789 93 93 SER HB3 H 4.302 0.012 1 790 93 93 SER CA C 61.585 0.063 1 791 93 93 SER CB C 62.779 0.028 1 792 93 93 SER N N 116.886 0.019 1 793 94 94 SER H H 7.107 0.006 1 794 94 94 SER HA H 4.372 0.008 1 795 94 94 SER HB2 H 3.933 0.008 2 796 94 94 SER HB3 H 4.068 0.012 2 797 94 94 SER CA C 57.634 0.093 1 798 94 94 SER CB C 63.587 0.035 1 799 94 94 SER N N 112.711 0.030 1 800 95 95 GLY H H 8.129 0.008 1 801 95 95 GLY HA2 H 3.586 0.013 2 802 95 95 GLY HA3 H 4.235 0.010 2 803 95 95 GLY CA C 45.213 0.017 1 804 95 95 GLY N N 109.548 0.042 1 805 96 96 ASN H H 6.433 0.007 1 806 96 96 ASN HA H 5.754 0.007 1 807 96 96 ASN HB2 H 1.766 0.007 2 808 96 96 ASN HB3 H 2.640 0.006 2 809 96 96 ASN HD21 H 6.518 0.012 2 810 96 96 ASN HD22 H 6.758 0.003 2 811 96 96 ASN CA C 51.283 0.048 1 812 96 96 ASN CB C 41.490 0.020 1 813 96 96 ASN N N 114.777 0.029 1 814 96 96 ASN ND2 N 113.982 0.067 1 815 97 97 THR H H 9.334 0.019 1 816 97 97 THR HA H 5.034 0.009 1 817 97 97 THR HB H 3.981 0.024 1 818 97 97 THR HG2 H 1.374 0.006 1 819 97 97 THR CA C 63.465 0.039 1 820 97 97 THR CB C 72.360 0.030 1 821 97 97 THR CG2 C 20.866 0.029 1 822 97 97 THR N N 117.785 0.040 1 823 98 98 LEU H H 9.530 0.007 1 824 98 98 LEU HA H 4.555 0.010 1 825 98 98 LEU HB2 H 1.736 0.002 2 826 98 98 LEU HB3 H 1.543 0.004 2 827 98 98 LEU HD1 H 0.056 0.002 2 828 98 98 LEU HD2 H 0.548 0.017 2 829 98 98 LEU HG H 1.114 0.012 1 830 98 98 LEU N N 130.106 0.029 1 831 99 99 GLY H H 9.645 0.008 1 832 99 99 GLY HA2 H 3.637 0.009 2 833 99 99 GLY HA3 H 5.135 0.008 2 834 99 99 GLY CA C 44.953 0.038 1 835 99 99 GLY N N 116.451 0.049 1 836 100 100 VAL H H 8.520 0.018 1 837 100 100 VAL HA H 4.699 0.005 1 838 100 100 VAL HB H 0.354 0.007 1 839 100 100 VAL HG1 H 0.862 0.007 2 840 100 100 VAL HG2 H 0.646 0.004 2 841 100 100 VAL CA C 60.470 0.020 1 842 100 100 VAL CB C 34.214 0.051 1 843 100 100 VAL CG1 C 20.145 0.032 2 844 100 100 VAL CG2 C 21.946 0.050 2 845 100 100 VAL N N 122.672 0.029 1 846 101 101 MET H H 8.890 0.013 1 847 101 101 MET HA H 5.612 0.013 1 848 101 101 MET HB2 H 1.725 0.008 2 849 101 101 MET HB3 H 2.046 0.008 2 850 101 101 MET HE H 1.740 0.003 1 851 101 101 MET HG2 H 2.677 0.000 2 852 101 101 MET HG3 H 2.869 0.018 2 853 101 101 MET CA C 53.070 0.020 1 854 101 101 MET CB C 34.703 0.072 1 855 101 101 MET CG C 31.655 0.000 1 856 101 101 MET N N 125.610 0.049 1 857 102 102 PHE H H 8.340 0.014 1 858 102 102 PHE HA H 5.627 0.019 1 859 102 102 PHE HB2 H 3.028 0.003 2 860 102 102 PHE HB3 H 3.155 0.010 2 861 102 102 PHE HD1 H 7.106 0.009 1 862 102 102 PHE HD2 H 7.106 0.009 1 863 102 102 PHE HE1 H 6.951 0.004 1 864 102 102 PHE HE2 H 6.951 0.004 1 865 102 102 PHE HZ H 6.718 0.002 1 866 102 102 PHE CA C 56.429 0.052 1 867 102 102 PHE CB C 44.758 0.002 1 868 102 102 PHE N N 117.604 0.020 1 869 103 103 SER H H 9.058 0.008 1 870 103 103 SER HA H 5.129 0.007 1 871 103 103 SER HB2 H 4.070 0.008 2 872 103 103 SER HB3 H 4.255 0.005 2 873 103 103 SER CA C 57.940 0.093 1 874 103 103 SER CB C 63.975 0.059 1 875 103 103 SER N N 113.730 0.050 1 876 104 104 VAL H H 8.696 0.014 1 877 104 104 VAL HA H 5.035 0.008 1 878 104 104 VAL HB H 2.303 0.008 1 879 104 104 VAL HG1 H 0.849 0.003 2 880 104 104 VAL HG2 H 0.875 0.001 2 881 104 104 VAL CA C 58.876 0.083 1 882 104 104 VAL CB C 33.194 0.059 1 883 104 104 VAL CG1 C 20.692 0.011 2 884 104 104 VAL CG2 C 20.700 0.000 2 885 104 104 VAL N N 130.455 0.050 1 886 105 105 PRO HA H 4.601 0.004 1 887 105 105 PRO HB2 H 2.181 0.001 1 888 105 105 PRO HB3 H 2.181 0.001 1 889 105 105 PRO HD2 H 3.071 0.001 1 890 105 105 PRO HD3 H 3.071 0.001 1 891 105 105 PRO HG2 H 1.700 0.003 1 892 105 105 PRO HG3 H 1.700 0.003 1 893 105 105 PRO CA C 62.336 0.077 1 894 105 105 PRO CB C 33.540 0.070 1 895 105 105 PRO CD C 50.080 0.138 1 896 105 105 PRO CG C 25.964 0.055 1 897 108 108 TYR H H 8.142 0.008 1 898 108 108 TYR CA C 58.927 0.029 1 899 108 108 TYR N N 118.223 0.029 1 900 109 109 ASN H H 8.486 0.015 1 901 109 109 ASN HA H 4.357 0.005 1 902 109 109 ASN HB2 H 2.243 0.010 2 903 109 109 ASN HB3 H 2.518 0.009 2 904 109 109 ASN HD21 H 6.899 0.052 2 905 109 109 ASN HD22 H 7.660 0.007 2 906 109 109 ASN CA C 55.603 0.057 1 907 109 109 ASN CB C 37.549 0.029 1 908 109 109 ASN N N 119.122 0.036 1 909 109 109 ASN ND2 N 112.442 0.018 1 910 110 110 TRP H H 7.480 0.009 1 911 110 110 TRP HA H 4.696 0.000 1 912 110 110 TRP HD1 H 7.583 0.000 1 913 110 110 TRP HE1 H 10.035 0.000 1 914 110 110 TRP HE3 H 7.586 0.000 1 915 110 110 TRP HH2 H 7.269 0.003 1 916 110 110 TRP HZ2 H 7.509 0.003 1 917 110 110 TRP HZ3 H 7.202 0.003 1 918 110 110 TRP CA C 57.004 0.035 1 919 110 110 TRP CB C 30.679 0.029 1 920 110 110 TRP N N 115.920 0.029 1 921 110 110 TRP NE1 N 128.438 0.000 1 922 111 111 TYR H H 7.507 0.008 1 923 111 111 TYR HA H 5.233 0.009 1 924 111 111 TYR HB2 H 2.866 0.009 2 925 111 111 TYR HB3 H 3.354 0.013 2 926 111 111 TYR HD1 H 7.433 0.002 1 927 111 111 TYR HD2 H 7.433 0.002 1 928 111 111 TYR HE1 H 7.000 0.001 1 929 111 111 TYR HE2 H 7.000 0.001 1 930 111 111 TYR CA C 56.539 0.053 1 931 111 111 TYR CB C 41.302 0.020 1 932 111 111 TYR N N 117.296 0.019 1 933 112 112 SER H H 8.280 0.012 1 934 112 112 SER HA H 4.221 0.004 1 935 112 112 SER HB2 H 4.055 0.008 1 936 112 112 SER HB3 H 4.055 0.008 1 937 112 112 SER CA C 57.420 0.070 1 938 112 112 SER CB C 62.832 0.051 1 939 112 112 SER N N 112.902 0.004 1 940 113 113 ASN H H 8.606 0.009 1 941 113 113 ASN HA H 5.825 0.011 1 942 113 113 ASN HB2 H 2.870 0.013 2 943 113 113 ASN HB3 H 3.359 0.006 2 944 113 113 ASN CA C 53.371 0.056 1 945 113 113 ASN CB C 38.739 0.017 1 946 113 113 ASN N N 122.389 0.000 1 947 114 114 TRP H H 9.014 0.018 1 948 114 114 TRP HA H 5.839 0.009 1 949 114 114 TRP HB2 H 2.892 0.009 2 950 114 114 TRP HB3 H 3.274 0.008 2 951 114 114 TRP HD1 H 7.578 0.002 1 952 114 114 TRP HE3 H 7.224 0.002 1 953 114 114 TRP HH2 H 7.265 0.001 1 954 114 114 TRP HZ2 H 7.508 0.003 1 955 114 114 TRP HZ3 H 7.199 0.004 1 956 114 114 TRP CA C 56.828 0.085 1 957 114 114 TRP CB C 35.916 0.023 1 958 114 114 TRP N N 120.710 0.073 1 959 115 115 TRP H H 9.605 0.021 1 960 115 115 TRP HA H 5.566 0.008 1 961 115 115 TRP HB2 H 3.722 0.013 2 962 115 115 TRP HB3 H 4.114 0.010 2 963 115 115 TRP HD1 H 6.726 0.002 1 964 115 115 TRP HE1 H 8.949 0.015 1 965 115 115 TRP HE3 H 7.395 0.003 1 966 115 115 TRP HH2 H 6.661 0.007 1 967 115 115 TRP HZ2 H 7.391 0.004 1 968 115 115 TRP HZ3 H 7.166 0.006 1 969 115 115 TRP CA C 56.366 0.039 1 970 115 115 TRP CB C 31.828 0.104 1 971 115 115 TRP N N 116.175 0.042 1 972 115 115 TRP NE1 N 128.053 0.000 1 973 116 116 ASP H H 8.813 0.017 1 974 116 116 ASP HA H 4.679 0.007 1 975 116 116 ASP HB2 H 1.780 0.011 2 976 116 116 ASP HB3 H 2.050 0.003 2 977 116 116 ASP CA C 53.903 0.058 1 978 116 116 ASP CB C 43.083 0.042 1 979 116 116 ASP N N 111.596 0.042 1 980 117 117 VAL H H 9.056 0.005 1 981 117 117 VAL HA H 5.280 0.018 1 982 117 117 VAL HB H 2.046 0.009 1 983 117 117 VAL HG1 H 1.072 0.005 2 984 117 117 VAL HG2 H 1.357 0.007 2 985 117 117 VAL CA C 60.350 0.042 1 986 117 117 VAL CB C 36.583 0.065 1 987 117 117 VAL CG1 C 22.386 0.009 2 988 117 117 VAL CG2 C 23.044 0.062 2 989 117 117 VAL N N 119.345 0.034 1 990 118 118 LYS H H 9.107 0.010 1 991 118 118 LYS HA H 4.376 0.005 1 992 118 118 LYS HB2 H 1.335 0.005 2 993 118 118 LYS HB3 H 1.369 0.002 2 994 118 118 LYS HD2 H 1.423 0.004 1 995 118 118 LYS HD3 H 1.423 0.004 1 996 118 118 LYS HE2 H 2.571 0.005 2 997 118 118 LYS HE3 H 2.750 0.003 2 998 118 118 LYS HG2 H 0.823 0.004 2 999 118 118 LYS HG3 H 1.093 0.002 2 1000 118 118 LYS CA C 55.939 0.083 1 1001 118 118 LYS CB C 38.690 0.054 1 1002 118 118 LYS CD C 29.101 0.044 1 1003 118 118 LYS CE C 42.009 0.040 1 1004 118 118 LYS CG C 25.812 0.055 1 1005 118 118 LYS N N 125.965 0.116 1 1006 119 119 ILE H H 8.471 0.007 1 1007 119 119 ILE HA H 5.078 0.007 1 1008 119 119 ILE HB H 1.552 0.009 1 1009 119 119 ILE HD1 H 0.740 0.009 1 1010 119 119 ILE HG12 H 0.902 0.009 1 1011 119 119 ILE HG13 H 0.902 0.000 1 1012 119 119 ILE HG2 H 0.199 0.000 1 1013 119 119 ILE CA C 59.471 0.059 1 1014 119 119 ILE CB C 38.225 0.054 1 1015 119 119 ILE CD1 C 15.015 0.039 1 1016 119 119 ILE CG1 C 28.716 0.049 1 1017 119 119 ILE CG2 C 18.164 0.100 1 1018 119 119 ILE N N 120.919 0.043 1 1019 120 120 TYR H H 9.519 0.013 1 1020 120 120 TYR HA H 4.553 0.009 1 1021 120 120 TYR HB2 H 2.351 0.004 2 1022 120 120 TYR HB3 H 2.967 0.007 2 1023 120 120 TYR HD1 H 6.960 0.007 1 1024 120 120 TYR HD2 H 6.960 0.007 1 1025 120 120 TYR HE1 H 6.632 0.010 1 1026 120 120 TYR HE2 H 6.632 0.010 1 1027 120 120 TYR CA C 56.475 0.052 1 1028 120 120 TYR CB C 40.984 0.072 1 1029 120 120 TYR N N 126.700 0.027 1 1030 121 121 SER H H 8.644 0.005 1 1031 121 121 SER HA H 4.679 0.012 1 1032 121 121 SER HB2 H 3.952 0.006 2 1033 121 121 SER HB3 H 3.989 0.004 2 1034 121 121 SER CA C 58.265 0.066 1 1035 121 121 SER CB C 63.500 0.063 1 1036 121 121 SER N N 117.499 0.050 1 1037 122 122 GLY H H 8.509 0.010 1 1038 122 122 GLY HA2 H 3.969 0.000 2 1039 122 122 GLY HA3 H 4.099 0.005 2 1040 122 122 GLY CA C 45.437 0.073 1 1041 122 122 GLY N N 113.205 0.026 1 1042 123 123 LYS H H 8.388 0.004 1 1043 123 123 LYS HA H 3.898 0.006 1 1044 123 123 LYS HB2 H 1.121 0.006 2 1045 123 123 LYS HB3 H 1.653 0.004 2 1046 123 123 LYS HD2 H 1.186 0.002 2 1047 123 123 LYS HD3 H 1.285 0.003 2 1048 123 123 LYS HE2 H 2.073 0.003 2 1049 123 123 LYS HE3 H 2.285 0.003 2 1050 123 123 LYS HG2 H 0.423 0.007 2 1051 123 123 LYS HG3 H 0.825 0.006 2 1052 123 123 LYS CA C 55.932 0.054 1 1053 123 123 LYS CB C 32.583 0.049 1 1054 123 123 LYS CD C 28.582 0.058 1 1055 123 123 LYS CE C 40.849 0.052 1 1056 123 123 LYS CG C 25.286 0.083 1 1057 123 123 LYS N N 121.677 0.031 1 1058 124 124 ARG H H 8.340 0.009 1 1059 124 124 ARG HA H 4.439 0.006 1 1060 124 124 ARG HB2 H 1.277 0.005 2 1061 124 124 ARG HB3 H 1.305 0.002 2 1062 124 124 ARG HD2 H 2.634 0.007 2 1063 124 124 ARG HD3 H 2.819 0.005 2 1064 124 124 ARG HG2 H 1.097 0.005 2 1065 124 124 ARG HG3 H 1.249 0.005 2 1066 124 124 ARG CA C 53.560 0.094 1 1067 124 124 ARG CB C 31.932 0.040 1 1068 124 124 ARG CD C 42.355 0.090 1 1069 124 124 ARG CG C 26.163 0.046 1 1070 124 124 ARG N N 131.602 0.037 1 1071 125 125 ARG H H 7.883 0.005 1 1072 125 125 ARG HA H 3.862 0.009 1 1073 125 125 ARG HB2 H 1.480 0.004 2 1074 125 125 ARG HB3 H 1.701 0.007 2 1075 125 125 ARG HD2 H 3.056 0.002 2 1076 125 125 ARG HD3 H 3.209 0.051 2 1077 125 125 ARG HG2 H 1.386 0.004 2 1078 125 125 ARG HG3 H 1.496 0.006 2 1079 125 125 ARG CA C 56.288 0.059 1 1080 125 125 ARG CB C 30.581 0.039 1 1081 125 125 ARG CD C 43.096 0.015 1 1082 125 125 ARG CG C 28.165 0.068 1 1083 125 125 ARG N N 120.530 0.035 1 1084 126 126 ALA H H 9.226 0.018 1 1085 126 126 ALA HA H 4.386 0.012 1 1086 126 126 ALA HB H 1.160 0.006 1 1087 126 126 ALA CA C 52.521 0.068 1 1088 126 126 ALA CB C 19.215 0.061 1 1089 126 126 ALA N N 123.575 0.057 1 1090 127 127 ASP H H 6.943 0.013 1 1091 127 127 ASP HA H 3.702 0.006 1 1092 127 127 ASP HB2 H 2.735 0.007 2 1093 127 127 ASP HB3 H 2.803 0.007 2 1094 127 127 ASP CA C 51.942 0.052 1 1095 127 127 ASP CB C 40.729 0.060 1 1096 127 127 ASP N N 120.999 0.019 1 1097 128 128 GLN H H 8.161 0.004 1 1098 128 128 GLN HA H 3.702 0.008 1 1099 128 128 GLN HB2 H 1.798 0.005 2 1100 128 128 GLN HB3 H 2.079 0.006 2 1101 128 128 GLN HE21 H 6.752 0.004 2 1102 128 128 GLN HE22 H 8.039 0.019 2 1103 128 128 GLN HG2 H 2.357 0.011 2 1104 128 128 GLN HG3 H 2.466 0.004 2 1105 128 128 GLN CA C 59.578 0.036 1 1106 128 128 GLN CB C 27.635 0.058 1 1107 128 128 GLN CG C 33.120 0.149 1 1108 128 128 GLN N N 119.118 0.029 1 1109 128 128 GLN NE2 N 111.935 0.096 1 1110 129 129 GLY H H 7.903 0.004 1 1111 129 129 GLY HA2 H 3.772 0.009 2 1112 129 129 GLY HA3 H 3.852 0.001 2 1113 129 129 GLY CA C 46.928 0.331 1 1114 129 129 GLY N N 107.082 0.043 1 1115 130 130 MET H H 8.172 0.019 1 1116 130 130 MET HA H 3.762 0.008 1 1117 130 130 MET HB2 H 1.650 0.005 2 1118 130 130 MET HB3 H 2.199 0.005 2 1119 130 130 MET HG2 H 2.095 0.000 1 1120 130 130 MET HG3 H 2.095 0.000 1 1121 130 130 MET CA C 59.385 0.074 1 1122 130 130 MET CB C 34.718 0.000 1 1123 130 130 MET N N 124.489 0.068 1 1124 131 131 TYR H H 8.041 0.020 1 1125 131 131 TYR HA H 3.854 0.012 1 1126 131 131 TYR HB2 H 3.035 0.008 2 1127 131 131 TYR HB3 H 3.205 0.013 2 1128 131 131 TYR HD1 H 6.877 0.005 1 1129 131 131 TYR HD2 H 6.877 0.005 1 1130 131 131 TYR HE1 H 6.426 0.001 1 1131 131 131 TYR HE2 H 6.426 0.001 1 1132 131 131 TYR CA C 62.316 0.096 1 1133 131 131 TYR CB C 37.408 0.074 1 1134 131 131 TYR N N 117.018 0.035 1 1135 132 132 GLU H H 8.798 0.010 1 1136 132 132 GLU HA H 3.447 0.016 1 1137 132 132 GLU HB2 H 2.214 0.004 1 1138 132 132 GLU HB3 H 2.214 0.004 1 1139 132 132 GLU HG2 H 2.442 0.002 2 1140 132 132 GLU HG3 H 2.922 0.016 2 1141 132 132 GLU CA C 59.876 0.097 1 1142 132 132 GLU CB C 28.449 0.227 1 1143 132 132 GLU CG C 35.394 0.053 1 1144 132 132 GLU N N 118.223 0.086 1 1145 133 133 ASP H H 7.984 0.010 1 1146 133 133 ASP HA H 4.243 0.012 1 1147 133 133 ASP HB2 H 2.809 0.008 2 1148 133 133 ASP HB3 H 2.864 0.007 2 1149 133 133 ASP CA C 57.436 0.098 1 1150 133 133 ASP CB C 42.387 0.019 1 1151 133 133 ASP N N 119.059 0.103 1 1152 134 134 LEU H H 7.646 0.041 1 1153 134 134 LEU HA H 4.062 0.004 1 1154 134 134 LEU HB2 H 1.075 0.012 2 1155 134 134 LEU HB3 H 1.703 0.013 2 1156 134 134 LEU HD1 H 0.721 0.005 1 1157 134 134 LEU HD2 H 0.721 0.005 1 1158 134 134 LEU N N 115.432 0.032 1 1159 135 135 TYR H H 9.041 0.015 1 1160 135 135 TYR HA H 3.537 0.028 1 1161 135 135 TYR HB2 H 1.741 0.003 2 1162 135 135 TYR HB3 H 2.136 0.013 2 1163 135 135 TYR HD1 H 5.885 0.005 1 1164 135 135 TYR HD2 H 5.885 0.005 1 1165 135 135 TYR HE1 H 6.440 0.004 1 1166 135 135 TYR HE2 H 6.440 0.004 1 1167 135 135 TYR CA C 61.862 0.077 1 1168 135 135 TYR CB C 38.881 0.089 1 1169 135 135 TYR N N 120.908 0.051 1 1170 136 136 TYR H H 7.923 0.022 1 1171 136 136 TYR HA H 4.276 0.005 1 1172 136 136 TYR HB2 H 2.823 0.005 2 1173 136 136 TYR HB3 H 3.216 0.007 2 1174 136 136 TYR HD1 H 7.143 0.006 1 1175 136 136 TYR HD2 H 7.143 0.006 1 1176 136 136 TYR HE1 H 6.833 0.004 1 1177 136 136 TYR HE2 H 6.833 0.004 1 1178 136 136 TYR CA C 57.925 0.098 1 1179 136 136 TYR CB C 35.906 0.076 1 1180 136 136 TYR N N 111.806 0.024 1 1181 137 137 GLY H H 6.591 0.017 1 1182 137 137 GLY HA2 H 3.458 0.016 2 1183 137 137 GLY HA3 H 3.975 0.358 2 1184 137 137 GLY CA C 46.336 0.058 1 1185 137 137 GLY N N 107.579 0.057 1 1186 138 138 ASN H H 8.597 0.007 1 1187 138 138 ASN HA H 4.606 0.005 1 1188 138 138 ASN HB2 H 2.545 0.007 2 1189 138 138 ASN HB3 H 2.659 0.011 2 1190 138 138 ASN HD21 H 6.670 0.007 2 1191 138 138 ASN HD22 H 7.431 0.003 2 1192 138 138 ASN CA C 52.108 0.088 1 1193 138 138 ASN CB C 38.109 0.095 1 1194 138 138 ASN N N 121.426 0.032 1 1195 138 138 ASN ND2 N 112.130 0.012 1 1196 139 139 PRO HA H 3.991 0.001 1 1197 139 139 PRO CA C 62.777 0.056 1 1198 139 139 PRO CB C 32.324 0.061 1 1199 139 139 PRO CG C 25.552 0.000 1 1200 140 140 TYR H H 8.277 0.008 1 1201 140 140 TYR HA H 4.519 0.005 1 1202 140 140 TYR HB2 H 2.930 0.006 1 1203 140 140 TYR HB3 H 2.930 0.006 1 1204 140 140 TYR HD1 H 5.989 0.002 1 1205 140 140 TYR HD2 H 5.989 0.002 1 1206 140 140 TYR HE1 H 6.548 0.002 1 1207 140 140 TYR HE2 H 6.548 0.002 1 1208 140 140 TYR CA C 57.549 0.069 1 1209 140 140 TYR CB C 39.289 0.059 1 1210 140 140 TYR N N 116.865 0.059 1 1211 141 141 ARG H H 8.646 0.010 1 1212 141 141 ARG HA H 4.098 0.007 1 1213 141 141 ARG HB2 H 1.449 0.007 1 1214 141 141 ARG HB3 H 1.449 0.007 1 1215 141 141 ARG HD2 H 2.915 0.007 2 1216 141 141 ARG HD3 H 2.981 0.002 2 1217 141 141 ARG HG2 H 0.789 0.006 2 1218 141 141 ARG HG3 H 0.966 0.005 2 1219 141 141 ARG CA C 55.445 0.089 1 1220 141 141 ARG CB C 32.134 0.054 1 1221 141 141 ARG CD C 43.034 0.048 1 1222 141 141 ARG CG C 28.408 0.042 1 1223 141 141 ARG N N 120.973 0.055 1 1224 142 142 GLY H H 8.223 0.018 1 1225 142 142 GLY HA2 H 3.233 0.011 2 1226 142 142 GLY HA3 H 4.287 0.019 2 1227 142 142 GLY CA C 47.772 0.050 1 1228 142 142 GLY N N 110.331 0.037 1 1229 143 143 ASP H H 8.134 0.007 1 1230 143 143 ASP HA H 4.630 0.007 1 1231 143 143 ASP HB2 H 2.278 0.007 2 1232 143 143 ASP HB3 H 3.313 0.007 2 1233 143 143 ASP CA C 51.944 0.039 1 1234 143 143 ASP CB C 41.366 0.079 1 1235 143 143 ASP N N 124.405 0.043 1 1236 144 144 ASN H H 8.879 0.010 1 1237 144 144 ASN HA H 3.923 0.008 1 1238 144 144 ASN HB2 H 3.073 0.002 2 1239 144 144 ASN HB3 H 3.368 0.010 2 1240 144 144 ASN HD21 H 7.351 0.007 2 1241 144 144 ASN HD22 H 7.505 0.002 2 1242 144 144 ASN CA C 55.613 0.059 1 1243 144 144 ASN CB C 38.211 0.034 1 1244 144 144 ASN N N 111.236 0.025 1 1245 144 144 ASN ND2 N 114.830 0.032 1 1246 145 145 GLY H H 8.319 0.026 1 1247 145 145 GLY HA2 H 3.579 0.006 2 1248 145 145 GLY HA3 H 4.509 0.013 2 1249 145 145 GLY CA C 43.306 0.030 1 1250 145 145 GLY N N 106.608 0.027 1 1251 146 146 TRP H H 8.457 0.004 1 1252 146 146 TRP HA H 4.976 0.009 1 1253 146 146 TRP HB2 H 2.999 0.015 1 1254 146 146 TRP HB3 H 2.999 0.015 1 1255 146 146 TRP HD1 H 7.739 0.002 1 1256 146 146 TRP HE1 H 10.028 0.018 1 1257 146 146 TRP HE3 H 7.389 0.004 1 1258 146 146 TRP HH2 H 6.909 0.005 1 1259 146 146 TRP HZ2 H 7.183 0.016 1 1260 146 146 TRP HZ3 H 6.930 0.005 1 1261 146 146 TRP CA C 57.194 0.039 1 1262 146 146 TRP CB C 29.786 0.038 1 1263 146 146 TRP N N 120.335 0.031 1 1264 146 146 TRP NE1 N 129.660 0.000 1 1265 147 147 HIS H H 10.001 0.017 1 1266 147 147 HIS HA H 4.952 0.009 1 1267 147 147 HIS HB2 H 2.294 0.007 2 1268 147 147 HIS HB3 H 2.632 0.008 2 1269 147 147 HIS HD1 H 7.956 0.002 1 1270 147 147 HIS HE1 H 7.158 0.005 1 1271 147 147 HIS CA C 54.796 0.049 1 1272 147 147 HIS CB C 31.862 0.067 1 1273 147 147 HIS N N 120.301 0.027 1 1274 148 148 GLU H H 8.822 0.016 1 1275 148 148 GLU HA H 5.849 0.005 1 1276 148 148 GLU HB2 H 2.180 0.009 2 1277 148 148 GLU HB3 H 2.258 0.009 2 1278 148 148 GLU HG2 H 2.487 0.028 2 1279 148 148 GLU HG3 H 2.542 0.003 2 1280 148 148 GLU CA C 54.629 0.065 1 1281 148 148 GLU CB C 33.344 0.065 1 1282 148 148 GLU CG C 34.398 0.017 1 1283 148 148 GLU N N 120.516 0.029 1 1284 149 149 LYS H H 8.839 0.011 1 1285 149 149 LYS HA H 4.800 0.001 1 1286 149 149 LYS HB2 H 2.104 0.006 1 1287 149 149 LYS HB3 H 2.104 0.006 1 1288 149 149 LYS HD2 H 1.851 0.004 2 1289 149 149 LYS HD3 H 1.877 0.005 2 1290 149 149 LYS HE2 H 3.027 0.004 2 1291 149 149 LYS HE3 H 3.109 0.005 2 1292 149 149 LYS HG2 H 1.318 0.006 2 1293 149 149 LYS HG3 H 1.503 0.003 2 1294 149 149 LYS CA C 56.012 0.042 1 1295 149 149 LYS CB C 36.540 0.040 1 1296 149 149 LYS CD C 29.658 0.063 1 1297 149 149 LYS CE C 42.280 0.045 1 1298 149 149 LYS CG C 24.116 0.077 1 1299 149 149 LYS N N 118.462 0.064 1 1300 150 150 ASN H H 8.972 0.005 1 1301 150 150 ASN HA H 4.889 0.005 1 1302 150 150 ASN HB2 H 2.889 0.011 2 1303 150 150 ASN HB3 H 3.111 0.009 2 1304 150 150 ASN HD21 H 6.961 0.002 2 1305 150 150 ASN HD22 H 7.718 0.012 2 1306 150 150 ASN CA C 53.451 0.051 1 1307 150 150 ASN CB C 38.305 0.058 1 1308 150 150 ASN N N 121.955 0.054 1 1309 150 150 ASN ND2 N 112.869 0.041 1 1310 151 151 LEU H H 8.752 0.008 1 1311 151 151 LEU HA H 4.474 0.018 1 1312 151 151 LEU HB2 H 1.670 0.004 2 1313 151 151 LEU HB3 H 1.815 0.003 2 1314 151 151 LEU HD1 H 0.876 0.003 1 1315 151 151 LEU HD2 H 0.876 0.003 1 1316 151 151 LEU HG H 0.774 0.004 1 1317 151 151 LEU N N 123.828 0.040 1 1318 152 152 GLY H H 7.949 0.007 1 1319 152 152 GLY HA2 H 3.772 0.006 2 1320 152 152 GLY HA3 H 4.223 0.004 2 1321 152 152 GLY CA C 44.343 0.058 1 1322 152 152 GLY N N 106.936 0.024 1 1323 153 153 TYR H H 8.202 0.005 1 1324 153 153 TYR HA H 3.954 0.006 1 1325 153 153 TYR HB2 H 3.077 0.004 2 1326 153 153 TYR HB3 H 3.148 0.003 2 1327 153 153 TYR HD1 H 6.942 0.002 1 1328 153 153 TYR HD2 H 6.942 0.002 1 1329 153 153 TYR HE1 H 6.749 0.002 1 1330 153 153 TYR HE2 H 6.749 0.002 1 1331 153 153 TYR CA C 59.276 0.067 1 1332 153 153 TYR CB C 34.575 0.035 1 1333 153 153 TYR N N 109.932 0.039 1 1334 154 154 GLY H H 8.488 0.006 1 1335 154 154 GLY HA2 H 3.725 0.021 2 1336 154 154 GLY HA3 H 4.070 0.008 2 1337 154 154 GLY CA C 45.610 0.054 1 1338 154 154 GLY N N 105.065 0.030 1 1339 155 155 LEU H H 7.878 0.012 1 1340 155 155 LEU HA H 5.366 0.010 1 1341 155 155 LEU HB2 H 1.294 0.004 2 1342 155 155 LEU HB3 H 1.986 0.006 2 1343 155 155 LEU HD1 H 0.934 0.012 1 1344 155 155 LEU HD2 H 0.934 0.012 1 1345 155 155 LEU HG H 0.879 0.000 1 1346 155 155 LEU N N 119.965 0.024 1 1347 156 156 ARG H H 9.429 0.013 1 1348 156 156 ARG HA H 5.038 0.008 1 1349 156 156 ARG HB2 H 1.833 0.003 2 1350 156 156 ARG HB3 H 1.951 0.008 2 1351 156 156 ARG HD2 H 3.165 0.002 2 1352 156 156 ARG HD3 H 3.198 0.004 2 1353 156 156 ARG HG2 H 1.577 0.003 2 1354 156 156 ARG HG3 H 1.653 0.005 2 1355 156 156 ARG CA C 54.777 0.054 1 1356 156 156 ARG CB C 33.656 0.071 1 1357 156 156 ARG CD C 43.298 0.014 1 1358 156 156 ARG CG C 26.881 0.076 1 1359 156 156 ARG N N 120.168 0.049 1 1360 157 157 MET H H 9.032 0.011 1 1361 157 157 MET HA H 5.741 0.012 1 1362 157 157 MET HB2 H 2.039 0.003 2 1363 157 157 MET HB3 H 2.294 0.006 2 1364 157 157 MET HE H 2.168 0.004 1 1365 157 157 MET HG2 H 2.649 0.008 2 1366 157 157 MET HG3 H 2.731 0.004 2 1367 157 157 MET CA C 53.629 0.072 1 1368 157 157 MET CB C 36.104 0.080 1 1369 157 157 MET CG C 31.737 0.057 1 1370 157 157 MET N N 120.728 0.081 1 1371 158 158 LYS H H 8.740 0.012 1 1372 158 158 LYS HA H 5.685 0.006 1 1373 158 158 LYS HB2 H 1.973 0.006 1 1374 158 158 LYS HB3 H 1.973 0.006 1 1375 158 158 LYS HD2 H 1.473 0.004 2 1376 158 158 LYS HD3 H 1.543 0.005 2 1377 158 158 LYS HE2 H 2.219 0.006 2 1378 158 158 LYS HE3 H 2.555 0.003 2 1379 158 158 LYS HG2 H 1.570 0.004 2 1380 158 158 LYS HG3 H 1.644 0.005 2 1381 158 158 LYS CA C 56.314 0.041 1 1382 158 158 LYS CB C 36.303 0.064 1 1383 158 158 LYS CD C 29.612 0.043 1 1384 158 158 LYS CE C 41.497 0.039 1 1385 158 158 LYS CG C 25.780 0.062 1 1386 158 158 LYS N N 125.901 0.079 1 1387 159 159 GLY H H 9.718 0.012 1 1388 159 159 GLY HA2 H 4.098 0.006 2 1389 159 159 GLY HA3 H 5.608 0.014 2 1390 159 159 GLY CA C 47.806 0.032 1 1391 159 159 GLY N N 114.590 0.042 1 1392 160 160 ILE H H 8.146 0.015 1 1393 160 160 ILE HA H 4.482 0.010 1 1394 160 160 ILE HB H 0.061 0.007 1 1395 160 160 ILE HD1 H -0.140 0.003 1 1396 160 160 ILE HG12 H 0.110 0.007 1 1397 160 160 ILE HG13 H 0.110 0.007 1 1398 160 160 ILE HG2 H -0.107 0.005 1 1399 160 160 ILE CA C 58.642 0.058 1 1400 160 160 ILE CB C 41.739 0.045 1 1401 160 160 ILE CD1 C 13.478 0.084 1 1402 160 160 ILE CG1 C 28.716 0.016 1 1403 160 160 ILE CG2 C 15.200 0.042 1 1404 160 160 ILE N N 118.400 0.084 1 1405 161 161 MET H H 8.512 0.013 1 1406 161 161 MET HA H 5.305 0.009 1 1407 161 161 MET HE H 2.164 0.006 1 1408 161 161 MET CA C 53.542 0.036 1 1409 161 161 MET CB C 36.731 0.062 1 1410 161 161 MET N N 125.007 0.054 1 1411 162 162 THR H H 8.369 0.012 1 1412 162 162 THR HA H 4.742 0.008 1 1413 162 162 THR HB H 4.743 0.006 1 1414 162 162 THR HG2 H 1.253 0.012 1 1415 162 162 THR CA C 61.502 0.093 1 1416 162 162 THR CB C 70.001 0.071 1 1417 162 162 THR N N 115.954 0.046 1 1418 163 163 SER H H 7.966 0.004 1 1419 163 163 SER HA H 4.548 0.003 1 1420 163 163 SER HB2 H 3.721 0.008 2 1421 163 163 SER HB3 H 4.173 0.001 2 1422 163 163 SER CA C 59.058 0.087 1 1423 163 163 SER CB C 65.038 0.056 1 1424 163 163 SER N N 109.657 0.071 1 1425 164 164 ALA H H 7.576 0.003 1 1426 164 164 ALA HA H 4.374 0.004 1 1427 164 164 ALA HB H 1.413 0.007 1 1428 164 164 ALA CA C 51.099 0.066 1 1429 164 164 ALA CB C 20.601 0.047 1 1430 164 164 ALA N N 132.050 0.000 1 1431 165 165 GLY H H 8.080 0.006 1 1432 165 165 GLY CA C 46.457 0.058 1 1433 165 165 GLY N N 105.267 0.035 1 1434 167 167 ALA HA H 4.033 0.007 1 1435 167 167 ALA HB H 1.322 0.004 1 1436 167 167 ALA CA C 52.193 0.029 1 1437 167 167 ALA CB C 20.854 0.052 1 1438 168 168 LYS H H 7.867 0.011 1 1439 168 168 LYS HA H 5.014 0.008 1 1440 168 168 LYS HB2 H 0.938 0.004 2 1441 168 168 LYS HB3 H 1.087 0.003 2 1442 168 168 LYS HD2 H 0.680 0.007 2 1443 168 168 LYS HD3 H 1.446 0.002 2 1444 168 168 LYS HE2 H 2.183 0.005 2 1445 168 168 LYS HE3 H 2.503 0.006 2 1446 168 168 LYS HG2 H 0.995 0.000 2 1447 168 168 LYS HG3 H 1.138 0.002 2 1448 168 168 LYS CA C 54.566 0.063 1 1449 168 168 LYS CB C 36.034 0.048 1 1450 168 168 LYS CD C 28.426 0.032 1 1451 168 168 LYS CE C 40.603 0.063 1 1452 168 168 LYS CG C 24.516 0.097 1 1453 168 168 LYS N N 116.401 0.051 1 1454 169 169 MET H H 8.526 0.015 1 1455 169 169 MET HA H 5.308 0.009 1 1456 169 169 MET HB2 H 1.530 0.002 2 1457 169 169 MET HB3 H 1.958 0.014 2 1458 169 169 MET HE H 2.187 0.002 1 1459 169 169 MET HG2 H 1.869 0.005 1 1460 169 169 MET HG3 H 1.869 0.005 1 1461 169 169 MET CA C 54.265 0.080 1 1462 169 169 MET CB C 38.486 0.029 1 1463 169 169 MET CG C 31.211 0.061 1 1464 169 169 MET N N 121.497 0.032 1 1465 170 170 GLN H H 8.589 0.013 1 1466 170 170 GLN HA H 5.477 0.009 1 1467 170 170 GLN HB2 H 1.885 0.005 2 1468 170 170 GLN HB3 H 1.850 0.006 2 1469 170 170 GLN HG2 H 2.096 0.007 2 1470 170 170 GLN HG3 H 2.309 0.006 2 1471 170 170 GLN CA C 54.134 0.048 1 1472 170 170 GLN CB C 32.017 0.028 1 1473 170 170 GLN CG C 33.798 0.034 1 1474 170 170 GLN N N 127.611 0.030 1 1475 171 171 ILE H H 8.750 0.020 1 1476 171 171 ILE HA H 5.314 0.006 1 1477 171 171 ILE HB H 1.926 0.004 1 1478 171 171 ILE HD1 H 0.964 0.004 1 1479 171 171 ILE HG12 H 1.138 0.005 2 1480 171 171 ILE HG13 H 1.448 0.008 2 1481 171 171 ILE HG2 H 1.189 0.009 1 1482 171 171 ILE CA C 59.402 0.064 1 1483 171 171 ILE CB C 43.142 0.038 1 1484 171 171 ILE CD1 C 13.995 0.054 1 1485 171 171 ILE CG1 C 27.825 0.079 1 1486 171 171 ILE CG2 C 19.062 0.066 1 1487 171 171 ILE N N 123.917 0.039 1 1488 172 172 LYS H H 9.941 0.010 1 1489 172 172 LYS HA H 5.312 0.005 1 1490 172 172 LYS HB2 H 2.022 0.012 2 1491 172 172 LYS HB3 H 2.068 0.006 2 1492 172 172 LYS HD2 H 1.721 0.003 1 1493 172 172 LYS HD3 H 1.721 0.003 1 1494 172 172 LYS HE2 H 2.925 0.002 1 1495 172 172 LYS HE3 H 2.925 0.002 1 1496 172 172 LYS HG2 H 1.278 0.005 2 1497 172 172 LYS HG3 H 1.471 0.007 2 1498 172 172 LYS CA C 55.970 0.049 1 1499 172 172 LYS CB C 35.533 0.046 1 1500 172 172 LYS CD C 29.535 0.065 1 1501 172 172 LYS CE C 41.405 0.027 1 1502 172 172 LYS CG C 24.818 0.019 1 1503 172 172 LYS N N 128.980 0.032 1 1504 173 173 ILE H H 8.793 0.019 1 1505 173 173 ILE HA H 5.335 0.006 1 1506 173 173 ILE HB H 2.684 0.005 1 1507 173 173 ILE HD1 H 0.937 0.005 1 1508 173 173 ILE HG12 H 1.828 0.005 2 1509 173 173 ILE HG13 H 1.746 0.009 2 1510 173 173 ILE HG2 H 1.118 0.003 1 1511 173 173 ILE CA C 57.760 0.080 1 1512 173 173 ILE CB C 37.278 0.088 1 1513 173 173 ILE CD1 C 11.315 0.079 1 1514 173 173 ILE CG1 C 26.648 0.057 1 1515 173 173 ILE CG2 C 17.647 0.059 1 1516 173 173 ILE N N 129.041 0.025 1 1517 174 174 SER H H 9.163 0.015 1 1518 174 174 SER HA H 4.960 0.010 1 1519 174 174 SER HB2 H 3.628 0.007 2 1520 174 174 SER HB3 H 4.050 0.012 2 1521 174 174 SER CA C 56.953 0.051 1 1522 174 174 SER CB C 67.066 0.065 1 1523 174 174 SER N N 120.923 0.043 1 1524 175 175 ARG H H 7.732 0.004 1 1525 175 175 ARG HA H 4.791 0.010 1 1526 175 175 ARG HB2 H 1.862 0.002 2 1527 175 175 ARG HB3 H 1.999 0.006 2 1528 175 175 ARG HD2 H 3.265 0.004 2 1529 175 175 ARG HD3 H 3.310 0.003 2 1530 175 175 ARG HG2 H 1.763 0.005 1 1531 175 175 ARG HG3 H 1.763 0.005 1 1532 175 175 ARG CA C 57.352 0.090 1 1533 175 175 ARG CB C 31.377 0.066 1 1534 175 175 ARG CD C 43.486 0.028 1 1535 175 175 ARG CG C 27.653 0.052 1 1536 175 175 ARG N N 124.991 0.057 1 stop_ save_