data_16630 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N NMR assignments of StnII-Y111N, a mutant of the sea anemone actinoporin Sticholysin II ; _BMRB_accession_number 16630 _BMRB_flat_file_name bmr16630.str _Entry_type original _Submission_date 2009-12-09 _Accession_date 2009-12-09 _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 Pardo-Cea Miguel A. . 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" 1028 "13C chemical shifts" 750 "15N chemical shifts" 195 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-08-23 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 15927 '1H, 13C and 15N NMR resonance assignments of the actinoporin Sticholysin I' 16362 '1H, 13C and 15N NMR assignments of StnII-R29Q, a defective lipid binding mutant of the sea anemone actinoporin Sticholysin II' stop_ _Original_release_date 2010-08-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C, and 15N NMR assignments of StnII-Y111N, a highly impaired mutant of the sea anemone actinoporin Sticholysin II' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20165934 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pardo-Cea Miguel A. . 2 Alegre-Cebollada Jorge . . 3 Martinez-Del-Pozo Alvaro . . 4 Gavilanes Jose G. . 5 Bruix Marta . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 4 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 69 _Page_last 72 _Year 2010 _Details . loop_ _Keyword actinoporin Equinatoxin 'NMR resonance assigment' sticholysin stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name stnIIY111N _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label stnIIY111N $stnIIY111N stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function Cytolysin Hemolysin stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_stnIIY111N _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common stnIIY111N _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function cytolysin Hemolysis stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 175 _Mol_residue_sequence ; ALAGTIIAGASLTFQVLDKV LEELGKVSRKIAVGIDNESG GTWTALNAYFRSGTTDVILP EFVPNTKALLYSGRKDTGPV ATGAVAAFAYYMSSGNTLGV MFSVPFDYNWNSNWWDVKIY 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 ARG 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 ASN 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 16362 R29Q_StnII 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 99.43 3.03e-122 PDB 1O71 "Crystal Structure Of The Water-Soluble State Of The Pore-Forming Cytolysin Sticholysin Ii Complexed With Glycerol" 100.00 175 99.43 99.43 3.03e-122 PDB 1O72 "Crystal Structure Of The Water-soluble State Of The Pore-forming Cytolysin Sticholysin Ii Complexed With Phosphorylcholine" 100.00 175 99.43 99.43 3.03e-122 PDB 2L2B "Structure Of Stnii-Y111n, A Mutant Of The Sea Anemone Actinoporin Sticholysin Ii" 100.00 175 100.00 100.00 1.39e-123 PDB 2L38 "R29q Sticholysin Ii Mutant" 100.00 175 98.86 99.43 1.41e-121 EMBL CAC20912 "sticholysin II [Stichodactyla helianthus]" 100.00 175 99.43 99.43 3.03e-122 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 99.43 3.03e-122 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $stnIIY111N 'Stichodactyla helianthus' 6123 Eukaryota Metazoa Stichodactyla helianthus 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 $stnIIY111N '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 $stnIIY111N 0.5 mM '[U-100% 13C; U-100% 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 $stnIIY111N 0.5 mM '[U-100% 13C; U-100% 15N]' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.112 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_GARANT _Saveframe_category software _Name GARANT _Version 2.5 loop_ _Vendor _Address _Electronic_address 'Bartels, Guntert, Billeter and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'Equipped with a crioprobe' 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_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_2D_1H-13C_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_HNCO_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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 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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY $GARANT stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HN(CO)CA' '3D HNCA' '3D CBCA(CO)NH' '3D HNCACB' '3D HBHA(CO)NH' '3D HNHA' '3D 1H-15N NOESY' '2D 1H-13C HSQC' '3D HCCH-TOCSY' '3D 1H-13C 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 stnIIY111N _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 4.075 0.009 1 2 1 1 ALA HB H 1.567 0.013 1 3 1 1 ALA C C 173.325 0.000 1 4 1 1 ALA CA C 51.979 0.118 1 5 1 1 ALA CB C 19.051 0.092 1 6 2 2 LEU H H 11.219 0.004 1 7 2 2 LEU HA H 4.309 0.009 1 8 2 2 LEU HB2 H 1.367 0.007 2 9 2 2 LEU HB3 H 1.666 0.009 2 10 2 2 LEU HD1 H 0.795 0.004 2 11 2 2 LEU HD2 H 0.816 0.004 2 12 2 2 LEU HG H 1.543 0.004 1 13 2 2 LEU C C 178.761 0.000 1 14 2 2 LEU CA C 56.094 0.108 1 15 2 2 LEU CB C 43.925 0.123 1 16 2 2 LEU CD1 C 24.315 0.094 2 17 2 2 LEU CD2 C 25.469 0.073 2 18 2 2 LEU CG C 27.143 0.091 1 19 2 2 LEU N N 124.738 0.013 1 20 3 3 ALA H H 9.455 0.005 1 21 3 3 ALA HA H 3.900 0.008 1 22 3 3 ALA HB H 1.384 0.010 1 23 3 3 ALA C C 177.249 0.000 1 24 3 3 ALA CA C 53.833 0.109 1 25 3 3 ALA CB C 19.119 0.069 1 26 3 3 ALA N N 123.210 0.014 1 27 4 4 GLY H H 8.891 0.002 1 28 4 4 GLY HA2 H 4.067 0.014 2 29 4 4 GLY HA3 H 4.535 0.009 2 30 4 4 GLY C C 174.430 0.000 1 31 4 4 GLY CA C 45.271 0.054 1 32 4 4 GLY N N 107.125 0.017 1 33 5 5 THR H H 7.753 0.010 1 34 5 5 THR HA H 4.967 0.007 1 35 5 5 THR HB H 4.449 0.012 1 36 5 5 THR HG2 H 1.219 0.006 1 37 5 5 THR C C 171.808 0.000 1 38 5 5 THR CA C 60.569 0.172 1 39 5 5 THR CB C 72.060 0.167 1 40 5 5 THR CG2 C 21.396 0.001 1 41 5 5 THR N N 111.879 0.030 1 42 6 6 ILE H H 7.790 0.004 1 43 6 6 ILE HA H 5.606 0.011 1 44 6 6 ILE HB H 1.892 0.011 1 45 6 6 ILE HD1 H 0.988 0.004 1 46 6 6 ILE HG12 H 1.371 0.004 2 47 6 6 ILE HG13 H 1.605 0.005 2 48 6 6 ILE HG2 H 1.064 0.011 1 49 6 6 ILE C C 176.417 0.000 1 50 6 6 ILE CA C 58.229 0.139 1 51 6 6 ILE CB C 41.210 0.147 1 52 6 6 ILE CD1 C 14.455 0.050 1 53 6 6 ILE CG1 C 25.902 0.113 1 54 6 6 ILE CG2 C 19.057 0.093 1 55 6 6 ILE N N 110.483 0.016 1 56 7 7 ILE H H 9.022 0.005 1 57 7 7 ILE HA H 4.837 0.006 1 58 7 7 ILE HB H 2.011 0.004 1 59 7 7 ILE HD1 H 0.777 0.004 1 60 7 7 ILE HG12 H 1.324 0.002 1 61 7 7 ILE HG13 H 1.324 0.002 1 62 7 7 ILE HG2 H 0.879 0.005 1 63 7 7 ILE C C 175.180 0.000 1 64 7 7 ILE CA C 59.115 0.073 1 65 7 7 ILE CB C 43.257 0.096 1 66 7 7 ILE CD1 C 14.148 0.070 1 67 7 7 ILE CG1 C 25.386 0.054 1 68 7 7 ILE CG2 C 17.864 0.051 1 69 7 7 ILE N N 116.857 0.013 1 70 8 8 ALA H H 8.726 0.008 1 71 8 8 ALA HA H 4.340 0.010 1 72 8 8 ALA HB H 1.514 0.007 1 73 8 8 ALA C C 180.160 0.000 1 74 8 8 ALA CA C 53.570 0.097 1 75 8 8 ALA CB C 17.804 0.062 1 76 8 8 ALA N N 123.962 0.020 1 77 9 9 GLY H H 9.378 0.003 1 78 9 9 GLY HA2 H 3.468 0.011 2 79 9 9 GLY HA3 H 3.695 0.007 2 80 9 9 GLY C C 176.209 0.000 1 81 9 9 GLY CA C 48.512 0.062 1 82 9 9 GLY N N 115.340 0.023 1 83 10 10 ALA H H 8.419 0.006 1 84 10 10 ALA HA H 4.178 0.008 1 85 10 10 ALA HB H 1.409 0.007 1 86 10 10 ALA C C 178.155 0.000 1 87 10 10 ALA CA C 53.706 0.095 1 88 10 10 ALA CB C 18.436 0.073 1 89 10 10 ALA N N 120.206 0.022 1 90 11 11 SER H H 7.810 0.004 1 91 11 11 SER HA H 4.505 0.009 1 92 11 11 SER HB2 H 4.088 0.013 1 93 11 11 SER HB3 H 4.088 0.013 1 94 11 11 SER C C 173.669 0.000 1 95 11 11 SER CA C 58.429 0.141 1 96 11 11 SER CB C 64.192 0.130 1 97 11 11 SER N N 111.555 0.004 1 98 12 12 LEU H H 7.414 0.005 1 99 12 12 LEU HA H 4.028 0.007 1 100 12 12 LEU HB2 H 1.085 0.011 2 101 12 12 LEU HB3 H 2.247 0.008 2 102 12 12 LEU HD1 H 0.861 0.004 2 103 12 12 LEU HD2 H 0.963 0.006 2 104 12 12 LEU HG H 1.492 0.006 1 105 12 12 LEU C C 173.899 0.000 1 106 12 12 LEU CA C 56.814 0.111 1 107 12 12 LEU CB C 40.822 0.154 1 108 12 12 LEU CD1 C 23.772 0.168 2 109 12 12 LEU CD2 C 26.837 0.085 2 110 12 12 LEU CG C 26.801 0.129 1 111 12 12 LEU N N 122.035 0.017 1 112 13 13 THR H H 6.828 0.010 1 113 13 13 THR HA H 4.922 0.011 1 114 13 13 THR HB H 4.797 0.019 1 115 13 13 THR HG2 H 1.260 0.007 1 116 13 13 THR C C 175.469 0.000 1 117 13 13 THR CA C 59.263 0.111 1 118 13 13 THR CB C 74.245 0.139 1 119 13 13 THR CG2 C 21.217 0.170 1 120 13 13 THR N N 117.002 0.012 1 121 14 14 PHE H H 9.323 0.005 1 122 14 14 PHE HA H 4.406 0.008 1 123 14 14 PHE HB2 H 3.191 0.013 2 124 14 14 PHE HB3 H 3.366 0.016 2 125 14 14 PHE HD1 H 7.402 0.000 3 126 14 14 PHE HD2 H 7.402 0.000 3 127 14 14 PHE HE1 H 7.254 0.000 3 128 14 14 PHE HE2 H 7.254 0.000 3 129 14 14 PHE HZ H 7.019 0.000 1 130 14 14 PHE C C 177.348 0.000 1 131 14 14 PHE CA C 59.334 0.097 1 132 14 14 PHE CB C 37.146 0.129 1 133 14 14 PHE N N 120.682 0.031 1 134 15 15 GLN H H 8.171 0.007 1 135 15 15 GLN HA H 4.291 0.013 1 136 15 15 GLN HB2 H 2.114 0.016 2 137 15 15 GLN HB3 H 2.178 0.024 2 138 15 15 GLN HE21 H 6.923 0.002 1 139 15 15 GLN HE22 H 7.661 0.001 1 140 15 15 GLN HG2 H 2.522 0.009 1 141 15 15 GLN HG3 H 2.522 0.009 1 142 15 15 GLN C C 179.501 0.000 1 143 15 15 GLN CA C 60.143 0.135 1 144 15 15 GLN CB C 28.075 0.153 1 145 15 15 GLN CG C 34.834 0.078 1 146 15 15 GLN N N 118.802 0.022 1 147 15 15 GLN NE2 N 112.310 0.024 1 148 16 16 VAL H H 7.477 0.002 1 149 16 16 VAL HA H 3.710 0.006 1 150 16 16 VAL HB H 2.270 0.009 1 151 16 16 VAL HG1 H 1.015 0.009 2 152 16 16 VAL HG2 H 1.241 0.005 2 153 16 16 VAL C C 178.089 0.000 1 154 16 16 VAL CA C 66.341 0.131 1 155 16 16 VAL CB C 32.379 0.085 1 156 16 16 VAL CG1 C 21.949 0.138 2 157 16 16 VAL CG2 C 22.956 0.120 2 158 16 16 VAL N N 120.852 0.026 1 159 17 17 LEU H H 7.420 0.005 1 160 17 17 LEU HA H 3.971 0.007 1 161 17 17 LEU HB2 H 1.830 0.006 2 162 17 17 LEU HB3 H 1.168 0.009 2 163 17 17 LEU HD1 H 0.644 0.004 2 164 17 17 LEU HD2 H 0.806 0.005 2 165 17 17 LEU HG H 1.817 0.009 1 166 17 17 LEU C C 178.778 0.000 1 167 17 17 LEU CA C 57.754 0.091 1 168 17 17 LEU CB C 40.255 0.111 1 169 17 17 LEU CD1 C 21.894 0.088 2 170 17 17 LEU CD2 C 26.584 0.071 2 171 17 17 LEU CG C 26.594 0.067 1 172 17 17 LEU N N 117.875 0.010 1 173 18 18 ASP H H 8.621 0.004 1 174 18 18 ASP HA H 4.517 0.016 1 175 18 18 ASP HB2 H 2.615 0.009 2 176 18 18 ASP HB3 H 2.861 0.019 2 177 18 18 ASP C C 179.407 0.000 1 178 18 18 ASP CA C 57.806 0.141 1 179 18 18 ASP CB C 39.798 0.179 1 180 18 18 ASP N N 120.896 0.015 1 181 19 19 LYS H H 7.454 0.002 1 182 19 19 LYS HA H 4.123 0.011 1 183 19 19 LYS HB2 H 1.890 0.025 2 184 19 19 LYS HB3 H 2.155 0.013 2 185 19 19 LYS HD2 H 1.689 0.003 1 186 19 19 LYS HD3 H 1.689 0.003 1 187 19 19 LYS HE2 H 3.000 0.008 1 188 19 19 LYS HE3 H 3.000 0.008 1 189 19 19 LYS HG2 H 1.514 0.004 2 190 19 19 LYS HG3 H 1.688 0.005 2 191 19 19 LYS C C 179.899 0.000 1 192 19 19 LYS CA C 59.246 0.099 1 193 19 19 LYS CB C 31.653 0.158 1 194 19 19 LYS CD C 28.937 0.065 1 195 19 19 LYS CE C 42.019 0.076 1 196 19 19 LYS CG C 25.262 0.114 1 197 19 19 LYS N N 121.465 0.018 1 198 20 20 VAL H H 7.676 0.009 1 199 20 20 VAL HA H 3.664 0.007 1 200 20 20 VAL HB H 2.472 0.013 1 201 20 20 VAL HG1 H 1.028 0.008 1 202 20 20 VAL HG2 H 1.028 0.008 1 203 20 20 VAL C C 177.969 0.000 1 204 20 20 VAL CA C 66.171 0.138 1 205 20 20 VAL CB C 30.941 0.084 1 206 20 20 VAL CG1 C 23.286 0.153 1 207 20 20 VAL CG2 C 23.286 0.153 1 208 20 20 VAL N N 122.022 0.009 1 209 21 21 LEU H H 8.127 0.002 1 210 21 21 LEU HA H 3.990 0.011 1 211 21 21 LEU HB2 H 1.257 0.012 2 212 21 21 LEU HB3 H 2.216 0.008 2 213 21 21 LEU HD1 H 0.738 0.006 2 214 21 21 LEU HD2 H 0.735 0.004 2 215 21 21 LEU HG H 1.264 0.000 1 216 21 21 LEU C C 181.128 0.000 1 217 21 21 LEU CA C 58.398 0.196 1 218 21 21 LEU CB C 42.293 0.061 1 219 21 21 LEU CD1 C 23.178 0.104 2 220 21 21 LEU CD2 C 25.811 0.071 2 221 21 21 LEU CG C 25.731 0.000 1 222 21 21 LEU N N 118.271 0.011 1 223 22 22 GLU H H 8.109 0.003 1 224 22 22 GLU HA H 4.042 0.005 1 225 22 22 GLU HB2 H 2.200 0.008 2 226 22 22 GLU HB3 H 2.408 0.007 2 227 22 22 GLU HG2 H 2.408 0.004 2 228 22 22 GLU HG3 H 2.528 0.008 2 229 22 22 GLU C C 179.555 0.000 1 230 22 22 GLU CA C 59.023 0.172 1 231 22 22 GLU CB C 28.819 0.177 1 232 22 22 GLU CG C 34.626 0.067 1 233 22 22 GLU N N 120.803 0.029 1 234 23 23 GLU H H 7.807 0.003 1 235 23 23 GLU HA H 4.262 0.007 1 236 23 23 GLU HB2 H 2.188 0.073 2 237 23 23 GLU HB3 H 2.315 0.008 2 238 23 23 GLU HG2 H 2.337 0.012 2 239 23 23 GLU HG3 H 2.927 0.010 2 240 23 23 GLU C C 177.336 0.000 1 241 23 23 GLU CA C 57.647 0.110 1 242 23 23 GLU CB C 28.632 0.114 1 243 23 23 GLU CG C 35.131 0.144 1 244 23 23 GLU N N 120.236 0.005 1 245 24 24 LEU H H 7.221 0.002 1 246 24 24 LEU HA H 4.218 0.007 1 247 24 24 LEU HB2 H 1.441 0.011 2 248 24 24 LEU HB3 H 1.970 0.017 2 249 24 24 LEU HD1 H 0.888 0.005 2 250 24 24 LEU HD2 H 0.999 0.010 2 251 24 24 LEU HG H 1.949 0.006 1 252 24 24 LEU C C 177.383 0.000 1 253 24 24 LEU CA C 55.986 0.152 1 254 24 24 LEU CB C 44.471 0.119 1 255 24 24 LEU CD1 C 24.545 0.079 2 256 24 24 LEU CD2 C 27.489 0.142 2 257 24 24 LEU CG C 27.332 0.053 1 258 24 24 LEU N N 119.900 0.011 1 259 25 25 GLY H H 7.412 0.002 1 260 25 25 GLY HA2 H 3.867 0.012 2 261 25 25 GLY HA3 H 4.093 0.005 2 262 25 25 GLY C C 174.713 0.000 1 263 25 25 GLY CA C 44.969 0.084 1 264 25 25 GLY N N 103.794 0.009 1 265 26 26 LYS H H 8.630 0.002 1 266 26 26 LYS HA H 4.331 0.008 1 267 26 26 LYS HB2 H 1.719 0.013 2 268 26 26 LYS HB3 H 1.898 0.006 2 269 26 26 LYS HD2 H 1.689 0.003 1 270 26 26 LYS HD3 H 1.689 0.003 1 271 26 26 LYS HE2 H 3.004 0.005 1 272 26 26 LYS HE3 H 3.004 0.005 1 273 26 26 LYS HG2 H 1.382 0.005 2 274 26 26 LYS HG3 H 1.463 0.006 2 275 26 26 LYS C C 175.523 0.000 1 276 26 26 LYS CA C 56.305 0.098 1 277 26 26 LYS CB C 30.959 0.111 1 278 26 26 LYS CD C 29.132 0.095 1 279 26 26 LYS CE C 42.097 0.127 1 280 26 26 LYS CG C 24.836 0.067 1 281 26 26 LYS N N 122.393 0.025 1 282 27 27 VAL H H 7.607 0.005 1 283 27 27 VAL HA H 4.459 0.009 1 284 27 27 VAL HB H 2.067 0.011 1 285 27 27 VAL HG1 H 1.008 0.011 2 286 27 27 VAL HG2 H 1.017 0.004 2 287 27 27 VAL C C 176.619 0.000 1 288 27 27 VAL CA C 61.091 0.154 1 289 27 27 VAL CB C 33.772 0.122 1 290 27 27 VAL CG1 C 21.755 0.085 1 291 27 27 VAL CG2 C 21.755 0.085 1 292 27 27 VAL N N 122.592 0.013 1 293 28 28 SER H H 8.605 0.006 1 294 28 28 SER HA H 4.299 0.006 1 295 28 28 SER HB2 H 4.023 0.009 1 296 28 28 SER HB3 H 4.023 0.009 1 297 28 28 SER C C 176.436 0.000 1 298 28 28 SER CA C 60.920 0.181 1 299 28 28 SER CB C 63.889 0.125 1 300 28 28 SER N N 118.069 0.026 1 301 29 29 ARG H H 6.623 0.003 1 302 29 29 ARG HA H 5.440 0.011 1 303 29 29 ARG HB2 H 1.484 0.007 2 304 29 29 ARG HB3 H 1.804 0.010 2 305 29 29 ARG HD2 H 3.430 0.006 2 306 29 29 ARG HD3 H 3.690 0.002 2 307 29 29 ARG HE H 7.077 0.001 1 308 29 29 ARG HG2 H 1.625 0.018 1 309 29 29 ARG HG3 H 1.625 0.018 1 310 29 29 ARG C C 174.107 0.000 1 311 29 29 ARG CA C 52.807 0.097 1 312 29 29 ARG CB C 31.333 0.160 1 313 29 29 ARG CD C 42.583 0.146 1 314 29 29 ARG CG C 27.090 0.100 1 315 29 29 ARG N N 119.145 0.018 1 316 29 29 ARG NE N 85.457 0.022 1 317 30 30 LYS H H 9.253 0.006 1 318 30 30 LYS HA H 4.934 0.009 1 319 30 30 LYS HB2 H 1.750 0.011 2 320 30 30 LYS HB3 H 2.216 0.006 2 321 30 30 LYS HD2 H 2.328 0.004 2 322 30 30 LYS HD3 H 2.645 0.003 2 323 30 30 LYS HE2 H 2.940 0.020 2 324 30 30 LYS HE3 H 3.141 0.111 2 325 30 30 LYS HG2 H 1.180 0.009 2 326 30 30 LYS HG3 H 1.358 0.007 2 327 30 30 LYS C C 172.212 0.000 1 328 30 30 LYS CA C 54.794 0.120 1 329 30 30 LYS CB C 36.159 0.124 1 330 30 30 LYS CD C 32.008 0.180 1 331 30 30 LYS CE C 42.322 0.090 1 332 30 30 LYS CG C 23.450 0.141 1 333 30 30 LYS N N 118.455 0.025 1 334 31 31 ILE H H 8.636 0.004 1 335 31 31 ILE HA H 5.222 0.007 1 336 31 31 ILE HB H 1.315 0.005 1 337 31 31 ILE HD1 H -0.106 0.007 1 338 31 31 ILE HG12 H 0.305 0.004 2 339 31 31 ILE HG13 H 0.952 0.004 2 340 31 31 ILE HG2 H 0.302 0.004 1 341 31 31 ILE C C 170.836 0.000 1 342 31 31 ILE CA C 58.304 0.151 1 343 31 31 ILE CB C 41.352 0.125 1 344 31 31 ILE CD1 C 13.681 0.065 1 345 31 31 ILE CG1 C 28.323 0.081 1 346 31 31 ILE CG2 C 15.738 0.083 1 347 31 31 ILE N N 116.383 0.016 1 348 32 32 ALA H H 7.975 0.013 1 349 32 32 ALA HA H 4.697 0.013 1 350 32 32 ALA HB H 1.276 0.008 1 351 32 32 ALA C C 174.213 0.000 1 352 32 32 ALA CA C 50.101 0.164 1 353 32 32 ALA CB C 25.464 0.075 1 354 32 32 ALA N N 128.155 0.011 1 355 33 33 VAL H H 8.693 0.007 1 356 33 33 VAL HA H 4.992 0.007 1 357 33 33 VAL HB H 1.866 0.004 1 358 33 33 VAL HG1 H 1.073 0.088 2 359 33 33 VAL HG2 H 0.796 0.087 2 360 33 33 VAL C C 174.216 0.000 1 361 33 33 VAL CA C 60.440 0.145 1 362 33 33 VAL CB C 35.373 0.096 1 363 33 33 VAL CG1 C 21.774 0.141 2 364 33 33 VAL CG2 C 21.979 0.102 2 365 33 33 VAL N N 122.240 0.009 1 366 34 34 GLY H H 9.074 0.007 1 367 34 34 GLY HA2 H 3.460 0.015 2 368 34 34 GLY HA3 H 5.983 0.014 2 369 34 34 GLY C C 172.672 0.000 1 370 34 34 GLY CA C 45.557 0.089 1 371 34 34 GLY N N 113.379 0.014 1 372 35 35 ILE H H 8.520 0.004 1 373 35 35 ILE HA H 5.396 0.011 1 374 35 35 ILE HB H 2.101 0.010 1 375 35 35 ILE HD1 H 1.144 0.004 1 376 35 35 ILE HG12 H 1.319 0.006 2 377 35 35 ILE HG13 H 1.746 0.008 2 378 35 35 ILE HG2 H 1.101 0.006 1 379 35 35 ILE C C 173.974 0.000 1 380 35 35 ILE CA C 59.761 0.091 1 381 35 35 ILE CB C 40.209 0.155 1 382 35 35 ILE CD1 C 14.745 0.100 1 383 35 35 ILE CG1 C 26.955 0.095 1 384 35 35 ILE CG2 C 17.719 0.121 1 385 35 35 ILE N N 121.773 0.017 1 386 36 36 ASP H H 9.431 0.004 1 387 36 36 ASP HA H 4.540 0.007 1 388 36 36 ASP HB2 H 2.667 0.007 2 389 36 36 ASP HB3 H 2.989 0.019 2 390 36 36 ASP C C 174.413 0.000 1 391 36 36 ASP CA C 53.475 0.163 1 392 36 36 ASP CB C 41.840 0.085 1 393 36 36 ASP N N 126.331 0.009 1 394 37 37 ASN H H 8.776 0.005 1 395 37 37 ASN HA H 4.483 0.014 1 396 37 37 ASN HB2 H 0.406 0.004 2 397 37 37 ASN HB3 H 3.034 0.008 2 398 37 37 ASN HD21 H 5.410 0.006 1 399 37 37 ASN HD22 H 7.211 0.012 1 400 37 37 ASN C C 173.199 0.000 1 401 37 37 ASN CA C 53.147 0.136 1 402 37 37 ASN CB C 36.320 0.081 1 403 37 37 ASN N N 125.897 0.005 1 404 37 37 ASN ND2 N 111.065 0.021 1 405 38 38 GLU H H 8.469 0.003 1 406 38 38 GLU HA H 5.001 0.013 1 407 38 38 GLU HB2 H 1.743 0.010 2 408 38 38 GLU HB3 H 2.532 0.009 2 409 38 38 GLU HG2 H 2.328 0.008 1 410 38 38 GLU HG3 H 2.328 0.008 1 411 38 38 GLU C C 179.273 0.000 1 412 38 38 GLU CA C 53.191 0.099 1 413 38 38 GLU CB C 26.580 0.102 1 414 38 38 GLU CG C 32.229 0.193 1 415 38 38 GLU N N 125.608 0.038 1 416 39 39 SER H H 8.928 0.009 1 417 39 39 SER HA H 4.083 0.008 1 418 39 39 SER HB2 H 4.096 0.010 2 419 39 39 SER HB3 H 4.422 0.013 2 420 39 39 SER C C 174.412 0.000 1 421 39 39 SER CA C 60.502 0.138 1 422 39 39 SER CB C 66.183 0.086 1 423 39 39 SER N N 114.842 0.010 1 424 40 40 GLY H H 8.479 0.012 1 425 40 40 GLY HA2 H 3.505 0.013 2 426 40 40 GLY HA3 H 4.509 0.017 2 427 40 40 GLY C C 173.525 0.000 1 428 40 40 GLY CA C 45.243 0.066 1 429 40 40 GLY N N 111.530 0.025 1 430 41 41 GLY H H 7.467 0.005 1 431 41 41 GLY HA2 H 4.061 0.017 2 432 41 41 GLY HA3 H 4.567 0.008 2 433 41 41 GLY C C 171.744 0.000 1 434 41 41 GLY CA C 44.512 0.171 1 435 41 41 GLY N N 106.087 0.015 1 436 42 42 THR H H 8.769 0.003 1 437 42 42 THR HA H 4.295 0.009 1 438 42 42 THR HB H 4.058 0.008 1 439 42 42 THR HG2 H 1.241 0.018 1 440 42 42 THR C C 174.717 0.000 1 441 42 42 THR CA C 62.885 0.121 1 442 42 42 THR CB C 70.168 0.164 1 443 42 42 THR CG2 C 22.144 0.111 1 444 42 42 THR N N 116.928 0.007 1 445 43 43 TRP H H 8.104 0.002 1 446 43 43 TRP HA H 5.959 0.010 1 447 43 43 TRP HB2 H 3.266 0.020 2 448 43 43 TRP HB3 H 3.313 0.017 2 449 43 43 TRP HD1 H 6.989 0.019 1 450 43 43 TRP HE1 H 8.821 0.025 1 451 43 43 TRP HE3 H 6.422 0.001 1 452 43 43 TRP HH2 H 6.822 0.026 1 453 43 43 TRP HZ2 H 6.972 0.025 1 454 43 43 TRP HZ3 H 6.481 0.008 1 455 43 43 TRP C C 175.805 0.000 1 456 43 43 TRP CA C 52.770 0.063 1 457 43 43 TRP CB C 33.020 0.056 1 458 43 43 TRP CD1 C 120.657 0.066 1 459 43 43 TRP CE3 C 116.685 0.021 1 460 43 43 TRP CH2 C 121.122 0.078 1 461 43 43 TRP CZ2 C 110.876 0.123 1 462 43 43 TRP CZ3 C 118.149 0.035 1 463 43 43 TRP N N 126.426 0.024 1 464 43 43 TRP NE1 N 125.619 0.037 1 465 44 44 THR H H 9.638 0.003 1 466 44 44 THR HA H 5.681 0.007 1 467 44 44 THR HB H 4.255 0.009 1 468 44 44 THR HG2 H 1.452 0.006 1 469 44 44 THR C C 174.194 0.000 1 470 44 44 THR CA C 61.036 0.152 1 471 44 44 THR CB C 71.582 0.116 1 472 44 44 THR CG2 C 21.476 0.094 1 473 44 44 THR N N 118.232 0.009 1 474 45 45 ALA H H 9.400 0.003 1 475 45 45 ALA HA H 3.010 0.007 1 476 45 45 ALA HB H 1.139 0.009 1 477 45 45 ALA C C 177.668 0.000 1 478 45 45 ALA CA C 54.659 0.088 1 479 45 45 ALA CB C 19.758 0.152 1 480 45 45 ALA N N 131.399 0.009 1 481 46 46 LEU H H 7.833 0.004 1 482 46 46 LEU HA H 4.633 0.010 1 483 46 46 LEU HB2 H 1.320 0.009 2 484 46 46 LEU HB3 H 1.735 0.008 2 485 46 46 LEU HD1 H 0.666 0.004 2 486 46 46 LEU HD2 H 0.700 0.011 2 487 46 46 LEU HG H 1.543 0.017 1 488 46 46 LEU C C 174.621 0.000 1 489 46 46 LEU CA C 55.400 0.112 1 490 46 46 LEU CB C 40.674 0.067 1 491 46 46 LEU CD1 C 23.508 0.095 2 492 46 46 LEU CD2 C 27.225 0.080 2 493 46 46 LEU CG C 27.109 0.000 1 494 46 46 LEU N N 120.818 0.014 1 495 47 47 ASN H H 7.499 0.003 1 496 47 47 ASN HA H 4.683 0.014 1 497 47 47 ASN HB2 H 3.040 0.009 2 498 47 47 ASN HB3 H 2.850 0.015 2 499 47 47 ASN HD21 H 7.299 0.013 1 500 47 47 ASN HD22 H 8.088 0.003 1 501 47 47 ASN C C 170.641 0.000 1 502 47 47 ASN CA C 53.126 0.080 1 503 47 47 ASN CB C 39.636 0.088 1 504 47 47 ASN N N 114.450 0.014 1 505 47 47 ASN ND2 N 115.380 0.025 1 506 48 48 ALA H H 8.734 0.002 1 507 48 48 ALA HA H 5.021 0.011 1 508 48 48 ALA HB H 1.574 0.008 1 509 48 48 ALA C C 175.690 0.000 1 510 48 48 ALA CA C 51.031 0.070 1 511 48 48 ALA CB C 23.536 0.115 1 512 48 48 ALA N N 120.527 0.024 1 513 49 49 TYR H H 9.551 0.013 1 514 49 49 TYR HA H 4.876 0.009 1 515 49 49 TYR HB2 H 2.659 0.018 1 516 49 49 TYR HB3 H 2.659 0.018 1 517 49 49 TYR HD1 H 6.795 0.011 3 518 49 49 TYR HD2 H 6.795 0.011 3 519 49 49 TYR HE1 H 6.475 0.000 3 520 49 49 TYR HE2 H 6.475 0.000 3 521 49 49 TYR C C 172.520 0.000 1 522 49 49 TYR CA C 56.471 0.070 1 523 49 49 TYR CB C 40.438 0.014 1 524 49 49 TYR CD1 C 130.723 0.000 3 525 49 49 TYR CD2 C 130.723 0.000 3 526 49 49 TYR N N 125.016 0.013 1 527 50 50 PHE H H 8.622 0.002 1 528 50 50 PHE HA H 4.353 0.009 1 529 50 50 PHE HB2 H 2.426 0.006 2 530 50 50 PHE HB3 H 2.793 0.014 2 531 50 50 PHE HD1 H 7.069 0.011 3 532 50 50 PHE HD2 H 7.069 0.011 3 533 50 50 PHE HE1 H 7.364 0.003 3 534 50 50 PHE HE2 H 7.364 0.003 3 535 50 50 PHE HZ H 7.240 0.003 1 536 50 50 PHE C C 175.313 0.000 1 537 50 50 PHE CA C 57.044 0.090 1 538 50 50 PHE CB C 39.212 0.054 1 539 50 50 PHE N N 126.744 0.032 1 540 51 51 ARG H H 7.951 0.006 1 541 51 51 ARG HA H 3.790 0.007 1 542 51 51 ARG HB2 H 0.866 0.014 2 543 51 51 ARG HB3 H 1.035 0.012 2 544 51 51 ARG HD2 H 2.585 0.015 2 545 51 51 ARG HD3 H 2.778 0.014 2 546 51 51 ARG HE H 7.213 0.003 1 547 51 51 ARG HG2 H 1.163 0.007 2 548 51 51 ARG HG3 H 1.208 0.007 2 549 51 51 ARG C C 176.635 0.000 1 550 51 51 ARG CA C 56.168 0.057 1 551 51 51 ARG CB C 30.937 0.143 1 552 51 51 ARG CD C 42.869 0.086 1 553 51 51 ARG CG C 26.400 0.073 1 554 51 51 ARG N N 126.978 0.033 1 555 51 51 ARG NE N 84.683 0.000 1 556 52 52 SER H H 8.038 0.005 1 557 52 52 SER HA H 4.663 0.005 1 558 52 52 SER HB2 H 3.466 0.009 2 559 52 52 SER HB3 H 3.633 0.007 2 560 52 52 SER C C 173.575 0.000 1 561 52 52 SER CA C 58.203 0.105 1 562 52 52 SER CB C 65.981 0.113 1 563 52 52 SER N N 112.500 0.012 1 564 53 53 GLY H H 8.667 0.002 1 565 53 53 GLY HA2 H 3.693 0.012 2 566 53 53 GLY HA3 H 4.886 0.010 2 567 53 53 GLY C C 172.801 0.000 1 568 53 53 GLY CA C 45.061 0.053 1 569 53 53 GLY N N 113.848 0.012 1 570 54 54 THR H H 8.984 0.002 1 571 54 54 THR HA H 3.409 0.016 1 572 54 54 THR HB H 3.911 0.013 1 573 54 54 THR HG2 H 0.755 0.008 1 574 54 54 THR C C 170.107 0.000 1 575 54 54 THR CA C 59.116 0.092 1 576 54 54 THR CB C 68.473 0.135 1 577 54 54 THR CG2 C 18.763 0.000 1 578 54 54 THR N N 111.999 0.018 1 579 55 55 THR H H 7.737 0.002 1 580 55 55 THR HA H 4.505 0.014 1 581 55 55 THR HB H 4.120 0.009 1 582 55 55 THR HG2 H 1.098 0.016 1 583 55 55 THR C C 172.054 0.000 1 584 55 55 THR CA C 58.929 0.101 1 585 55 55 THR CB C 68.782 0.141 1 586 55 55 THR CG2 C 19.485 0.138 1 587 55 55 THR N N 112.830 0.022 1 588 56 56 ASP H H 8.935 0.003 1 589 56 56 ASP HA H 4.886 0.012 1 590 56 56 ASP HB2 H 2.334 0.029 2 591 56 56 ASP HB3 H 2.904 0.013 2 592 56 56 ASP C C 176.005 0.000 1 593 56 56 ASP CA C 53.952 0.162 1 594 56 56 ASP CB C 43.109 0.102 1 595 56 56 ASP N N 124.097 0.011 1 596 57 57 VAL H H 7.959 0.003 1 597 57 57 VAL HA H 4.792 0.013 1 598 57 57 VAL HB H 2.243 0.007 1 599 57 57 VAL HG1 H 0.770 0.005 2 600 57 57 VAL HG2 H 0.762 0.008 2 601 57 57 VAL C C 174.810 0.000 1 602 57 57 VAL CA C 59.563 0.121 1 603 57 57 VAL CB C 35.087 0.199 1 604 57 57 VAL CG1 C 18.840 0.169 2 605 57 57 VAL CG2 C 21.514 0.101 2 606 57 57 VAL N N 113.936 0.013 1 607 58 58 ILE H H 8.175 0.002 1 608 58 58 ILE HA H 4.375 0.005 1 609 58 58 ILE HB H 1.878 0.006 1 610 58 58 ILE HD1 H 0.932 0.004 1 611 58 58 ILE HG12 H 1.249 0.007 2 612 58 58 ILE HG13 H 1.492 0.008 2 613 58 58 ILE HG2 H 1.032 0.006 1 614 58 58 ILE C C 176.273 0.000 1 615 58 58 ILE CA C 59.843 0.101 1 616 58 58 ILE CB C 39.685 0.073 1 617 58 58 ILE CD1 C 13.095 0.091 1 618 58 58 ILE CG1 C 27.156 0.113 1 619 58 58 ILE CG2 C 17.795 0.137 1 620 58 58 ILE N N 120.139 0.017 1 621 59 59 LEU H H 7.932 0.002 1 622 59 59 LEU HA H 4.050 0.008 1 623 59 59 LEU HB2 H 1.220 0.007 2 624 59 59 LEU HB3 H 1.385 0.009 2 625 59 59 LEU HD1 H -0.125 0.006 2 626 59 59 LEU HD2 H 0.265 0.009 2 627 59 59 LEU HG H 1.307 0.005 1 628 59 59 LEU CA C 53.037 0.125 1 629 59 59 LEU CB C 42.266 0.083 1 630 59 59 LEU CD1 C 23.323 0.085 2 631 59 59 LEU CD2 C 24.897 0.092 2 632 59 59 LEU CG C 26.117 0.125 1 633 59 59 LEU N N 126.800 0.010 1 634 60 60 PRO HA H 4.274 0.004 1 635 60 60 PRO HB2 H 2.265 0.009 2 636 60 60 PRO HB3 H 1.771 0.021 2 637 60 60 PRO HD2 H 3.699 0.009 2 638 60 60 PRO HD3 H 4.132 0.009 2 639 60 60 PRO HG2 H 2.162 0.000 2 640 60 60 PRO HG3 H 1.897 0.004 2 641 60 60 PRO C C 179.103 0.000 1 642 60 60 PRO CA C 63.614 0.155 1 643 60 60 PRO CB C 31.706 0.160 1 644 60 60 PRO CD C 49.928 0.167 1 645 60 60 PRO CG C 28.590 0.098 1 646 61 61 GLU H H 8.724 0.002 1 647 61 61 GLU HA H 3.871 0.007 1 648 61 61 GLU HB2 H 1.852 0.014 2 649 61 61 GLU HB3 H 2.102 0.013 2 650 61 61 GLU HG2 H 1.913 0.010 2 651 61 61 GLU HG3 H 2.108 0.019 2 652 61 61 GLU C C 175.573 0.000 1 653 61 61 GLU CA C 60.045 0.171 1 654 61 61 GLU CB C 29.129 0.149 1 655 61 61 GLU CG C 32.835 0.113 1 656 61 61 GLU N N 125.503 0.016 1 657 62 62 PHE H H 7.778 0.004 1 658 62 62 PHE HA H 5.895 0.011 1 659 62 62 PHE HB2 H 2.971 0.026 2 660 62 62 PHE HB3 H 3.026 0.020 2 661 62 62 PHE HD1 H 6.902 0.006 3 662 62 62 PHE HD2 H 6.902 0.006 3 663 62 62 PHE HE1 H 7.157 0.005 3 664 62 62 PHE HE2 H 7.157 0.005 3 665 62 62 PHE HZ H 7.153 0.000 1 666 62 62 PHE C C 175.759 0.000 1 667 62 62 PHE CA C 55.632 0.078 1 668 62 62 PHE CB C 42.626 0.073 1 669 62 62 PHE CD1 C 129.985 0.074 3 670 62 62 PHE CD2 C 129.985 0.074 3 671 62 62 PHE CE1 C 126.910 0.015 3 672 62 62 PHE CE2 C 126.910 0.015 3 673 62 62 PHE CZ C 126.181 0.000 1 674 62 62 PHE N N 112.636 0.011 1 675 63 63 VAL H H 9.123 0.007 1 676 63 63 VAL HA H 4.487 0.013 1 677 63 63 VAL HB H 2.028 0.009 1 678 63 63 VAL HG1 H 0.602 0.018 2 679 63 63 VAL HG2 H 0.845 0.005 2 680 63 63 VAL CA C 58.814 0.099 1 681 63 63 VAL CB C 33.052 0.149 1 682 63 63 VAL CG1 C 21.572 0.134 2 683 63 63 VAL CG2 C 21.408 0.086 2 684 63 63 VAL N N 121.230 0.011 1 685 64 64 PRO HA H 4.485 0.009 1 686 64 64 PRO HB2 H 1.675 0.010 2 687 64 64 PRO HB3 H 2.418 0.011 2 688 64 64 PRO HD2 H 3.296 0.004 2 689 64 64 PRO HD3 H 3.755 0.007 2 690 64 64 PRO HG2 H 1.896 0.003 2 691 64 64 PRO HG3 H 2.032 0.006 2 692 64 64 PRO C C 174.230 0.000 1 693 64 64 PRO CA C 62.143 0.138 1 694 64 64 PRO CB C 32.298 0.186 1 695 64 64 PRO CD C 51.475 0.074 1 696 64 64 PRO CG C 27.340 0.073 1 697 65 65 ASN H H 8.583 0.004 1 698 65 65 ASN HA H 4.249 0.007 1 699 65 65 ASN HB2 H 2.136 0.009 2 700 65 65 ASN HB3 H 2.466 0.009 2 701 65 65 ASN HD21 H 7.134 0.004 1 702 65 65 ASN HD22 H 7.881 0.002 1 703 65 65 ASN C C 177.694 0.000 1 704 65 65 ASN CA C 54.782 0.086 1 705 65 65 ASN CB C 39.401 0.139 1 706 65 65 ASN N N 118.163 0.026 1 707 65 65 ASN ND2 N 116.539 0.040 1 708 66 66 THR H H 9.200 0.010 1 709 66 66 THR HA H 4.843 0.028 1 710 66 66 THR HB H 4.566 0.010 1 711 66 66 THR HG2 H 1.214 0.004 1 712 66 66 THR C C 173.322 0.000 1 713 66 66 THR CA C 65.422 0.087 1 714 66 66 THR CB C 69.127 0.176 1 715 66 66 THR CG2 C 21.834 0.150 1 716 66 66 THR N N 119.207 0.019 1 717 67 67 LYS H H 7.831 0.004 1 718 67 67 LYS HA H 4.932 0.017 1 719 67 67 LYS HB2 H 1.761 0.006 2 720 67 67 LYS HB3 H 2.084 0.011 2 721 67 67 LYS HD2 H 1.320 0.007 2 722 67 67 LYS HD3 H 1.636 0.005 2 723 67 67 LYS HE2 H 2.774 0.012 2 724 67 67 LYS HE3 H 2.911 0.002 2 725 67 67 LYS HG2 H 1.184 0.006 1 726 67 67 LYS HG3 H 1.184 0.006 1 727 67 67 LYS C C 173.090 0.000 1 728 67 67 LYS CA C 53.049 0.012 1 729 67 67 LYS CB C 32.860 0.033 1 730 67 67 LYS CD C 28.008 0.100 1 731 67 67 LYS CE C 42.403 0.117 1 732 67 67 LYS CG C 25.599 0.115 1 733 67 67 LYS N N 120.359 0.005 1 734 68 68 ALA H H 9.402 0.005 1 735 68 68 ALA HA H 5.842 0.012 1 736 68 68 ALA HB H 1.140 0.010 1 737 68 68 ALA C C 175.984 0.000 1 738 68 68 ALA CA C 48.829 0.123 1 739 68 68 ALA CB C 23.475 0.104 1 740 68 68 ALA N N 118.386 0.006 1 741 69 69 LEU H H 8.663 0.007 1 742 69 69 LEU HA H 5.004 0.008 1 743 69 69 LEU HB2 H 1.695 0.031 2 744 69 69 LEU HB3 H 1.761 0.017 2 745 69 69 LEU HD1 H 0.948 0.006 2 746 69 69 LEU HD2 H 0.853 0.005 2 747 69 69 LEU HG H 2.237 0.008 1 748 69 69 LEU C C 174.451 0.000 1 749 69 69 LEU CA C 53.216 0.061 1 750 69 69 LEU CB C 43.863 0.097 1 751 69 69 LEU CD1 C 28.711 0.139 2 752 69 69 LEU CD2 C 25.857 0.125 2 753 69 69 LEU CG C 25.893 0.109 1 754 69 69 LEU N N 118.560 0.011 1 755 70 70 LEU H H 8.104 0.002 1 756 70 70 LEU HA H 5.677 0.007 1 757 70 70 LEU HB2 H 1.008 0.009 2 758 70 70 LEU HB3 H 2.258 0.012 2 759 70 70 LEU HD1 H 0.694 0.004 2 760 70 70 LEU HD2 H 0.845 0.004 2 761 70 70 LEU HG H 1.624 0.006 1 762 70 70 LEU C C 176.669 0.000 1 763 70 70 LEU CA C 53.022 0.098 1 764 70 70 LEU CB C 45.056 0.108 1 765 70 70 LEU CD1 C 26.429 0.185 2 766 70 70 LEU CD2 C 24.214 0.084 2 767 70 70 LEU CG C 26.860 0.191 1 768 70 70 LEU N N 119.366 0.012 1 769 71 71 TYR H H 9.864 0.013 1 770 71 71 TYR HA H 4.879 0.007 1 771 71 71 TYR HB2 H 2.183 0.012 2 772 71 71 TYR HB3 H 2.854 0.007 2 773 71 71 TYR HD1 H 6.551 0.000 3 774 71 71 TYR HD2 H 6.551 0.000 3 775 71 71 TYR HE1 H 6.744 0.001 3 776 71 71 TYR HE2 H 6.744 0.001 3 777 71 71 TYR C C 171.373 0.000 1 778 71 71 TYR CA C 56.261 0.080 1 779 71 71 TYR CB C 42.698 0.043 1 780 71 71 TYR N N 124.879 0.009 1 781 72 72 SER H H 6.054 0.016 1 782 72 72 SER HA H 5.122 0.005 1 783 72 72 SER HB2 H 3.637 0.013 2 784 72 72 SER HB3 H 3.972 0.013 2 785 72 72 SER C C 171.111 0.000 1 786 72 72 SER CA C 56.071 0.072 1 787 72 72 SER CB C 66.174 0.110 1 788 72 72 SER N N 116.182 0.018 1 789 73 73 GLY H H 8.103 0.004 1 790 73 73 GLY HA2 H 3.637 0.009 2 791 73 73 GLY HA3 H 4.702 0.019 2 792 73 73 GLY C C 170.730 0.000 1 793 73 73 GLY CA C 44.088 0.089 1 794 73 73 GLY N N 102.046 0.006 1 795 74 74 ARG H H 9.219 0.008 1 796 74 74 ARG HA H 5.083 0.019 1 797 74 74 ARG HB2 H 1.877 0.008 2 798 74 74 ARG HB3 H 2.156 0.011 2 799 74 74 ARG HD2 H 3.072 0.000 1 800 74 74 ARG HD3 H 3.072 0.000 1 801 74 74 ARG HE H 7.156 0.000 1 802 74 74 ARG HG2 H 1.406 0.007 1 803 74 74 ARG HG3 H 1.406 0.007 1 804 74 74 ARG C C 173.946 0.000 1 805 74 74 ARG CA C 55.143 0.098 1 806 74 74 ARG CB C 33.332 0.106 1 807 74 74 ARG CD C 43.378 0.053 1 808 74 74 ARG CG C 26.114 0.030 1 809 74 74 ARG N N 113.385 0.021 1 810 74 74 ARG NE N 84.800 0.000 1 811 75 75 LYS H H 7.558 0.012 1 812 75 75 LYS HA H 4.545 0.007 1 813 75 75 LYS HB2 H 1.500 0.006 2 814 75 75 LYS HB3 H 2.305 0.010 2 815 75 75 LYS HD2 H 1.806 0.005 2 816 75 75 LYS HD3 H 2.200 0.004 2 817 75 75 LYS HE2 H 3.404 0.007 2 818 75 75 LYS HE3 H 3.538 0.006 2 819 75 75 LYS HG2 H 1.521 0.005 2 820 75 75 LYS HG3 H 1.792 0.010 2 821 75 75 LYS C C 175.244 0.000 1 822 75 75 LYS CA C 55.596 0.150 1 823 75 75 LYS CB C 32.465 0.189 1 824 75 75 LYS CD C 28.521 0.106 1 825 75 75 LYS CE C 41.389 0.098 1 826 75 75 LYS CG C 21.763 0.058 1 827 75 75 LYS N N 115.464 0.013 1 828 76 76 ASP H H 8.366 0.005 1 829 76 76 ASP HA H 4.431 0.009 1 830 76 76 ASP HB2 H 2.408 0.020 2 831 76 76 ASP HB3 H 2.761 0.019 2 832 76 76 ASP C C 176.091 0.000 1 833 76 76 ASP CA C 54.310 0.154 1 834 76 76 ASP CB C 41.375 0.204 1 835 76 76 ASP N N 119.556 0.012 1 836 77 77 THR H H 8.401 0.002 1 837 77 77 THR HA H 4.190 0.012 1 838 77 77 THR HB H 4.267 0.010 1 839 77 77 THR HG2 H 1.261 0.008 1 840 77 77 THR C C 174.816 0.000 1 841 77 77 THR CA C 62.920 0.138 1 842 77 77 THR CB C 69.434 0.145 1 843 77 77 THR CG2 C 21.380 0.085 1 844 77 77 THR N N 114.253 0.011 1 845 78 78 GLY H H 8.435 0.002 1 846 78 78 GLY HA2 H 3.979 0.007 2 847 78 78 GLY HA3 H 4.396 0.011 2 848 78 78 GLY CA C 44.535 0.205 1 849 78 78 GLY N N 110.736 0.006 1 850 79 79 PRO HA H 4.599 0.038 1 851 79 79 PRO HB2 H 2.129 0.019 2 852 79 79 PRO HB3 H 2.169 0.009 2 853 79 79 PRO HD2 H 3.546 0.008 2 854 79 79 PRO HD3 H 3.719 0.011 2 855 79 79 PRO HG2 H 1.924 0.008 2 856 79 79 PRO HG3 H 2.066 0.013 2 857 79 79 PRO C C 176.755 0.000 1 858 79 79 PRO CA C 63.655 0.127 1 859 79 79 PRO CB C 30.872 0.137 1 860 79 79 PRO CD C 49.674 0.103 1 861 79 79 PRO CG C 26.976 0.096 1 862 80 80 VAL H H 7.701 0.004 1 863 80 80 VAL HA H 4.009 0.008 1 864 80 80 VAL HB H 1.990 0.009 1 865 80 80 VAL HG1 H 0.862 0.007 2 866 80 80 VAL HG2 H 0.869 0.004 2 867 80 80 VAL C C 175.474 0.000 1 868 80 80 VAL CA C 61.746 0.163 1 869 80 80 VAL CB C 32.564 0.135 1 870 80 80 VAL CG1 C 21.112 0.150 2 871 80 80 VAL CG2 C 20.380 0.046 2 872 80 80 VAL N N 119.663 0.012 1 873 81 81 ALA H H 8.342 0.005 1 874 81 81 ALA HA H 3.376 0.010 1 875 81 81 ALA HB H 0.739 0.006 1 876 81 81 ALA C C 176.197 0.000 1 877 81 81 ALA CA C 51.080 0.105 1 878 81 81 ALA CB C 17.535 0.182 1 879 81 81 ALA N N 131.440 0.014 1 880 82 82 THR H H 7.301 0.002 1 881 82 82 THR HA H 4.557 0.012 1 882 82 82 THR HB H 4.404 0.023 1 883 82 82 THR HG2 H 1.142 0.012 1 884 82 82 THR C C 173.046 0.000 1 885 82 82 THR CA C 60.008 0.108 1 886 82 82 THR CB C 71.882 0.114 1 887 82 82 THR CG2 C 22.089 0.001 1 888 82 82 THR N N 112.360 0.008 1 889 83 83 GLY H H 8.074 0.005 1 890 83 83 GLY HA2 H 4.054 0.011 2 891 83 83 GLY HA3 H 4.267 0.007 2 892 83 83 GLY C C 172.582 0.000 1 893 83 83 GLY CA C 42.995 0.082 1 894 83 83 GLY N N 105.866 0.010 1 895 84 84 ALA H H 9.056 0.004 1 896 84 84 ALA HA H 4.878 0.008 1 897 84 84 ALA HB H 1.054 0.009 1 898 84 84 ALA C C 174.484 0.000 1 899 84 84 ALA CA C 50.919 0.040 1 900 84 84 ALA CB C 18.917 0.045 1 901 84 84 ALA N N 125.952 0.009 1 902 85 85 VAL H H 8.884 0.003 1 903 85 85 VAL HA H 4.893 0.011 1 904 85 85 VAL HB H 1.708 0.006 1 905 85 85 VAL HG1 H 0.787 0.012 2 906 85 85 VAL HG2 H 0.933 0.005 2 907 85 85 VAL C C 174.171 0.000 1 908 85 85 VAL CA C 60.884 0.152 1 909 85 85 VAL CB C 35.663 0.074 1 910 85 85 VAL CG1 C 22.486 0.066 2 911 85 85 VAL CG2 C 19.558 0.081 2 912 85 85 VAL N N 124.220 0.014 1 913 86 86 ALA H H 8.393 0.003 1 914 86 86 ALA HA H 4.710 0.015 1 915 86 86 ALA HB H -0.104 0.005 1 916 86 86 ALA C C 175.187 0.000 1 917 86 86 ALA CA C 50.886 0.090 1 918 86 86 ALA CB C 22.865 0.165 1 919 86 86 ALA N N 128.418 0.013 1 920 87 87 ALA H H 8.724 0.004 1 921 87 87 ALA HA H 5.813 0.014 1 922 87 87 ALA HB H 1.255 0.008 1 923 87 87 ALA C C 175.327 0.000 1 924 87 87 ALA CA C 50.014 0.110 1 925 87 87 ALA CB C 22.604 0.163 1 926 87 87 ALA N N 117.003 0.014 1 927 88 88 PHE H H 9.380 0.008 1 928 88 88 PHE HA H 5.345 0.009 1 929 88 88 PHE HB2 H 2.882 0.006 2 930 88 88 PHE HB3 H 3.129 0.018 2 931 88 88 PHE HD1 H 7.019 0.013 3 932 88 88 PHE HD2 H 7.019 0.013 3 933 88 88 PHE HE1 H 7.250 0.010 3 934 88 88 PHE HE2 H 7.250 0.010 3 935 88 88 PHE HZ H 7.111 0.000 1 936 88 88 PHE C C 171.482 0.000 1 937 88 88 PHE CA C 56.312 0.097 1 938 88 88 PHE CB C 42.006 0.095 1 939 88 88 PHE CD1 C 130.729 0.027 3 940 88 88 PHE CD2 C 130.729 0.027 3 941 88 88 PHE CE1 C 127.164 0.030 3 942 88 88 PHE CE2 C 127.164 0.030 3 943 88 88 PHE N N 116.810 0.010 1 944 89 89 ALA H H 8.071 0.008 1 945 89 89 ALA HA H 5.979 0.009 1 946 89 89 ALA HB H 1.312 0.005 1 947 89 89 ALA C C 175.011 0.000 1 948 89 89 ALA CA C 50.695 0.060 1 949 89 89 ALA CB C 24.362 0.117 1 950 89 89 ALA N N 120.353 0.028 1 951 90 90 TYR H H 9.003 0.006 1 952 90 90 TYR HA H 4.580 0.008 1 953 90 90 TYR HB2 H 2.438 0.012 2 954 90 90 TYR HB3 H 2.571 0.012 2 955 90 90 TYR HD1 H 6.838 0.005 3 956 90 90 TYR HD2 H 6.838 0.005 3 957 90 90 TYR HE1 H 6.649 0.005 3 958 90 90 TYR HE2 H 6.649 0.005 3 959 90 90 TYR C C 173.744 0.000 1 960 90 90 TYR CA C 58.151 0.149 1 961 90 90 TYR CB C 43.810 0.033 1 962 90 90 TYR CD1 C 131.073 0.146 3 963 90 90 TYR CD2 C 131.073 0.146 3 964 90 90 TYR CE1 C 114.868 0.081 3 965 90 90 TYR CE2 C 114.868 0.081 3 966 90 90 TYR N N 119.587 0.012 1 967 91 91 TYR H H 9.965 0.003 1 968 91 91 TYR HA H 4.960 0.006 1 969 91 91 TYR HB2 H 2.825 0.005 2 970 91 91 TYR HB3 H 3.132 0.011 2 971 91 91 TYR HD1 H 7.119 0.001 3 972 91 91 TYR HD2 H 7.119 0.001 3 973 91 91 TYR HE1 H 6.960 0.000 3 974 91 91 TYR HE2 H 6.960 0.000 3 975 91 91 TYR C C 175.472 0.000 1 976 91 91 TYR CA C 56.606 0.144 1 977 91 91 TYR CB C 39.386 0.036 1 978 91 91 TYR N N 124.407 0.004 1 979 92 92 MET H H 8.877 0.007 1 980 92 92 MET HA H 4.862 0.011 1 981 92 92 MET HB2 H 2.027 0.018 2 982 92 92 MET HB3 H 2.378 0.030 2 983 92 92 MET HE H 2.137 0.004 1 984 92 92 MET HG2 H 1.396 0.011 2 985 92 92 MET HG3 H 2.251 0.010 2 986 92 92 MET C C 177.174 0.000 1 987 92 92 MET CA C 56.078 0.112 1 988 92 92 MET CB C 35.189 0.081 1 989 92 92 MET CE C 18.847 0.076 1 990 92 92 MET CG C 31.652 0.073 1 991 92 92 MET N N 127.025 0.013 1 992 93 93 SER H H 8.151 0.002 1 993 93 93 SER HA H 4.174 0.016 1 994 93 93 SER HB2 H 3.986 0.003 2 995 93 93 SER HB3 H 4.284 0.015 2 996 93 93 SER C C 174.417 0.000 1 997 93 93 SER CA C 61.666 0.112 1 998 93 93 SER CB C 62.858 0.110 1 999 93 93 SER N N 116.812 0.028 1 1000 94 94 SER H H 7.096 0.007 1 1001 94 94 SER HA H 4.356 0.011 1 1002 94 94 SER HB2 H 3.925 0.011 2 1003 94 94 SER HB3 H 4.050 0.018 2 1004 94 94 SER C C 174.976 0.000 1 1005 94 94 SER CA C 57.863 0.140 1 1006 94 94 SER CB C 63.723 0.099 1 1007 94 94 SER N N 112.705 0.013 1 1008 95 95 GLY H H 8.138 0.004 1 1009 95 95 GLY HA2 H 3.602 0.022 2 1010 95 95 GLY HA3 H 4.224 0.008 2 1011 95 95 GLY C C 172.406 0.000 1 1012 95 95 GLY CA C 45.207 0.102 1 1013 95 95 GLY N N 109.551 0.028 1 1014 96 96 ASN H H 6.432 0.003 1 1015 96 96 ASN HA H 5.733 0.014 1 1016 96 96 ASN HB2 H 1.755 0.012 2 1017 96 96 ASN HB3 H 2.635 0.009 2 1018 96 96 ASN HD21 H 6.518 0.008 1 1019 96 96 ASN HD22 H 6.746 0.017 1 1020 96 96 ASN C C 173.290 0.000 1 1021 96 96 ASN CA C 51.397 0.068 1 1022 96 96 ASN CB C 41.749 0.037 1 1023 96 96 ASN N N 114.748 0.025 1 1024 96 96 ASN ND2 N 113.919 0.019 1 1025 97 97 THR H H 9.327 0.004 1 1026 97 97 THR HA H 5.019 0.005 1 1027 97 97 THR HB H 3.971 0.014 1 1028 97 97 THR HG2 H 1.349 0.005 1 1029 97 97 THR C C 172.587 0.000 1 1030 97 97 THR CA C 63.558 0.108 1 1031 97 97 THR CB C 72.475 0.111 1 1032 97 97 THR CG2 C 21.117 0.019 1 1033 97 97 THR N N 117.808 0.010 1 1034 98 98 LEU H H 9.538 0.014 1 1035 98 98 LEU HA H 4.558 0.008 1 1036 98 98 LEU HB2 H 1.094 0.011 2 1037 98 98 LEU HB3 H 1.537 0.006 2 1038 98 98 LEU HD1 H 0.527 0.018 2 1039 98 98 LEU HD2 H 0.045 0.006 2 1040 98 98 LEU HG H 1.116 0.006 1 1041 98 98 LEU C C 174.216 0.000 1 1042 98 98 LEU CA C 54.088 0.139 1 1043 98 98 LEU CB C 43.621 0.150 1 1044 98 98 LEU CD1 C 24.286 0.095 2 1045 98 98 LEU CD2 C 26.016 0.048 2 1046 98 98 LEU CG C 26.822 0.130 1 1047 98 98 LEU N N 130.070 0.008 1 1048 99 99 GLY H H 9.637 0.004 1 1049 99 99 GLY HA2 H 3.628 0.010 2 1050 99 99 GLY HA3 H 5.127 0.010 2 1051 99 99 GLY C C 171.310 0.000 1 1052 99 99 GLY CA C 45.054 0.051 1 1053 99 99 GLY N N 116.390 0.006 1 1054 100 100 VAL H H 8.518 0.005 1 1055 100 100 VAL HA H 4.714 0.005 1 1056 100 100 VAL HB H 0.360 0.006 1 1057 100 100 VAL HG1 H 0.637 0.005 2 1058 100 100 VAL HG2 H 0.854 0.008 2 1059 100 100 VAL C C 173.462 0.000 1 1060 100 100 VAL CA C 60.561 0.091 1 1061 100 100 VAL CB C 34.535 0.096 1 1062 100 100 VAL CG1 C 20.669 0.125 2 1063 100 100 VAL CG2 C 22.353 0.095 2 1064 100 100 VAL N N 122.604 0.017 1 1065 101 101 MET H H 8.879 0.003 1 1066 101 101 MET HA H 5.581 0.013 1 1067 101 101 MET HB2 H 1.753 0.016 2 1068 101 101 MET HB3 H 2.051 0.016 2 1069 101 101 MET HE H 1.724 0.003 1 1070 101 101 MET HG2 H 2.631 0.008 2 1071 101 101 MET HG3 H 2.849 0.011 2 1072 101 101 MET C C 174.604 0.000 1 1073 101 101 MET CA C 53.195 0.086 1 1074 101 101 MET CB C 35.257 0.150 1 1075 101 101 MET CE C 16.561 0.093 1 1076 101 101 MET CG C 32.031 0.069 1 1077 101 101 MET N N 125.589 0.017 1 1078 102 102 PHE H H 8.338 0.005 1 1079 102 102 PHE HA H 5.634 0.005 1 1080 102 102 PHE HB2 H 3.077 0.036 2 1081 102 102 PHE HB3 H 3.110 0.028 2 1082 102 102 PHE HD1 H 7.012 0.006 3 1083 102 102 PHE HD2 H 7.012 0.006 3 1084 102 102 PHE HE1 H 7.240 0.020 3 1085 102 102 PHE HE2 H 7.240 0.020 3 1086 102 102 PHE C C 174.646 0.000 1 1087 102 102 PHE CA C 56.470 0.090 1 1088 102 102 PHE CB C 43.845 0.092 1 1089 102 102 PHE CD1 C 128.499 0.024 3 1090 102 102 PHE CD2 C 128.499 0.024 3 1091 102 102 PHE CE1 C 128.866 0.000 3 1092 102 102 PHE CE2 C 128.866 0.000 3 1093 102 102 PHE N N 117.472 0.006 1 1094 103 103 SER H H 9.050 0.002 1 1095 103 103 SER HA H 5.104 0.016 1 1096 103 103 SER HB2 H 4.046 0.013 2 1097 103 103 SER HB3 H 4.269 0.020 2 1098 103 103 SER C C 173.002 0.000 1 1099 103 103 SER CA C 58.301 0.097 1 1100 103 103 SER CB C 64.108 0.122 1 1101 103 103 SER N N 113.821 0.008 1 1102 104 104 VAL H H 8.705 0.003 1 1103 104 104 VAL HA H 5.018 0.008 1 1104 104 104 VAL HB H 2.335 0.007 1 1105 104 104 VAL HG1 H 0.863 0.007 2 1106 104 104 VAL HG2 H 1.217 0.010 2 1107 104 104 VAL CA C 58.787 0.048 1 1108 104 104 VAL CB C 33.387 0.115 1 1109 104 104 VAL CG1 C 21.669 0.075 1 1110 104 104 VAL CG2 C 21.669 0.075 1 1111 104 104 VAL N N 130.873 0.016 1 1112 105 105 PRO HA H 4.528 0.009 1 1113 105 105 PRO HB2 H 1.582 0.010 2 1114 105 105 PRO HB3 H 2.003 0.015 2 1115 105 105 PRO HD2 H 3.614 0.007 2 1116 105 105 PRO HD3 H 4.264 0.005 2 1117 105 105 PRO HG2 H 0.676 0.004 2 1118 105 105 PRO HG3 H 1.205 0.008 2 1119 105 105 PRO C C 174.854 0.000 1 1120 105 105 PRO CA C 62.009 0.088 1 1121 105 105 PRO CB C 32.680 0.101 1 1122 105 105 PRO CD C 50.333 0.161 1 1123 105 105 PRO CG C 25.711 0.035 1 1124 106 106 PHE H H 8.027 0.003 1 1125 106 106 PHE HA H 4.076 0.007 1 1126 106 106 PHE HB2 H 2.601 0.011 2 1127 106 106 PHE HB3 H 2.769 0.013 2 1128 106 106 PHE HD1 H 7.514 0.000 3 1129 106 106 PHE HD2 H 7.514 0.000 3 1130 106 106 PHE HE1 H 7.244 0.000 3 1131 106 106 PHE HE2 H 7.244 0.000 3 1132 106 106 PHE HZ H 7.237 0.000 1 1133 106 106 PHE C C 175.482 0.000 1 1134 106 106 PHE CA C 61.395 0.122 1 1135 106 106 PHE CB C 39.730 0.082 1 1136 106 106 PHE N N 114.764 0.059 1 1137 107 107 ASP H H 8.198 0.003 1 1138 107 107 ASP HA H 4.599 0.011 1 1139 107 107 ASP HB2 H 2.566 0.012 2 1140 107 107 ASP HB3 H 2.927 0.005 2 1141 107 107 ASP C C 169.424 0.000 1 1142 107 107 ASP CA C 52.865 0.098 1 1143 107 107 ASP CB C 42.520 0.071 1 1144 107 107 ASP N N 117.718 0.033 1 1145 108 108 TYR H H 8.591 0.002 1 1146 108 108 TYR HA H 4.708 0.015 1 1147 108 108 TYR HB2 H 2.155 0.000 2 1148 108 108 TYR HB3 H 2.575 0.036 2 1149 108 108 TYR HD1 H 7.068 0.005 3 1150 108 108 TYR HD2 H 7.068 0.005 3 1151 108 108 TYR HE1 H 6.754 0.016 3 1152 108 108 TYR HE2 H 6.754 0.016 3 1153 108 108 TYR C C 176.904 0.000 1 1154 108 108 TYR CA C 60.494 0.027 1 1155 108 108 TYR CB C 38.215 0.073 1 1156 108 108 TYR CD1 C 129.901 0.002 3 1157 108 108 TYR CD2 C 129.901 0.002 3 1158 108 108 TYR CE1 C 115.193 0.006 3 1159 108 108 TYR CE2 C 115.193 0.006 3 1160 108 108 TYR N N 124.142 0.033 1 1161 109 109 ASN H H 8.839 0.004 1 1162 109 109 ASN HA H 4.350 0.014 1 1163 109 109 ASN HB2 H 2.175 0.016 2 1164 109 109 ASN HB3 H 2.742 0.019 2 1165 109 109 ASN HD21 H 6.878 0.001 1 1166 109 109 ASN HD22 H 7.774 0.001 1 1167 109 109 ASN C C 176.275 0.000 1 1168 109 109 ASN CA C 55.898 0.125 1 1169 109 109 ASN CB C 37.621 0.078 1 1170 109 109 ASN N N 119.427 0.056 1 1171 109 109 ASN ND2 N 114.322 0.017 1 1172 110 110 TRP H H 7.535 0.005 1 1173 110 110 TRP HA H 4.891 0.015 1 1174 110 110 TRP HB2 H 3.073 0.024 2 1175 110 110 TRP HB3 H 3.586 0.015 2 1176 110 110 TRP HD1 H 7.198 0.007 1 1177 110 110 TRP HE1 H 10.103 0.002 1 1178 110 110 TRP HE3 H 7.140 0.013 1 1179 110 110 TRP HH2 H 7.016 0.012 1 1180 110 110 TRP HZ2 H 7.306 0.022 1 1181 110 110 TRP HZ3 H 6.775 0.015 1 1182 110 110 TRP C C 175.114 0.000 1 1183 110 110 TRP CA C 56.473 0.110 1 1184 110 110 TRP CB C 30.724 0.119 1 1185 110 110 TRP CD1 C 124.663 0.054 1 1186 110 110 TRP CE3 C 118.508 0.026 1 1187 110 110 TRP CH2 C 120.903 0.005 1 1188 110 110 TRP CZ2 C 110.803 0.053 1 1189 110 110 TRP CZ3 C 118.744 0.063 1 1190 110 110 TRP N N 115.666 0.040 1 1191 110 110 TRP NE1 N 128.518 0.013 1 1192 111 111 ASN H H 7.535 0.004 1 1193 111 111 ASN HA H 5.367 0.016 1 1194 111 111 ASN HB2 H 2.683 0.009 2 1195 111 111 ASN HB3 H 2.693 0.005 2 1196 111 111 ASN HD21 H 7.162 0.001 1 1197 111 111 ASN HD22 H 7.851 0.010 1 1198 111 111 ASN C C 172.983 0.000 1 1199 111 111 ASN CA C 52.067 0.052 1 1200 111 111 ASN CB C 43.777 0.123 1 1201 111 111 ASN N N 116.830 0.025 1 1202 111 111 ASN ND2 N 114.763 0.034 1 1203 112 112 SER H H 8.379 0.003 1 1204 112 112 SER HA H 4.863 0.021 1 1205 112 112 SER HB2 H 3.471 0.035 2 1206 112 112 SER HB3 H 3.590 0.019 2 1207 112 112 SER C C 171.299 0.000 1 1208 112 112 SER CA C 57.049 0.138 1 1209 112 112 SER CB C 66.415 0.122 1 1210 112 112 SER N N 111.770 0.008 1 1211 113 113 ASN H H 8.777 0.005 1 1212 113 113 ASN HA H 5.826 0.019 1 1213 113 113 ASN HB2 H 2.928 0.019 2 1214 113 113 ASN HB3 H 3.373 0.021 2 1215 113 113 ASN HD21 H 6.963 0.000 1 1216 113 113 ASN HD22 H 7.724 0.005 1 1217 113 113 ASN C C 177.752 0.000 1 1218 113 113 ASN CA C 53.734 0.077 1 1219 113 113 ASN CB C 38.484 0.077 1 1220 113 113 ASN N N 122.250 0.028 1 1221 113 113 ASN ND2 N 112.766 0.005 1 1222 114 114 TRP H H 9.070 0.003 1 1223 114 114 TRP HA H 5.859 0.011 1 1224 114 114 TRP HB2 H 2.909 0.011 2 1225 114 114 TRP HB3 H 3.255 0.008 2 1226 114 114 TRP HD1 H 7.507 0.007 1 1227 114 114 TRP HE1 H 10.331 0.002 1 1228 114 114 TRP HE3 H 7.666 0.003 1 1229 114 114 TRP HH2 H 7.202 0.003 1 1230 114 114 TRP HZ2 H 7.461 0.004 1 1231 114 114 TRP HZ3 H 7.132 0.006 1 1232 114 114 TRP C C 174.255 0.000 1 1233 114 114 TRP CA C 57.012 0.119 1 1234 114 114 TRP CB C 36.259 0.121 1 1235 114 114 TRP CD1 C 126.829 0.017 1 1236 114 114 TRP CE3 C 118.524 0.144 1 1237 114 114 TRP CH2 C 121.955 0.004 1 1238 114 114 TRP CZ2 C 111.864 0.035 1 1239 114 114 TRP CZ3 C 118.756 0.033 1 1240 114 114 TRP N N 121.665 0.013 1 1241 114 114 TRP NE1 N 128.851 0.035 1 1242 115 115 TRP H H 9.618 0.013 1 1243 115 115 TRP HA H 5.565 0.010 1 1244 115 115 TRP HB2 H 3.673 0.018 2 1245 115 115 TRP HB3 H 4.151 0.008 2 1246 115 115 TRP HD1 H 6.625 0.002 1 1247 115 115 TRP HE1 H 8.925 0.031 1 1248 115 115 TRP HE3 H 7.294 0.003 1 1249 115 115 TRP HH2 H 6.570 0.019 1 1250 115 115 TRP HZ2 H 7.057 0.003 1 1251 115 115 TRP HZ3 H 7.076 0.010 1 1252 115 115 TRP C C 174.375 0.000 1 1253 115 115 TRP CA C 56.483 0.120 1 1254 115 115 TRP CB C 31.911 0.050 1 1255 115 115 TRP CD1 C 125.196 0.006 1 1256 115 115 TRP CE3 C 117.191 0.025 1 1257 115 115 TRP CH2 C 120.058 0.020 1 1258 115 115 TRP CZ2 C 110.747 0.068 1 1259 115 115 TRP CZ3 C 118.455 0.077 1 1260 115 115 TRP N N 116.010 0.038 1 1261 115 115 TRP NE1 N 128.371 0.029 1 1262 116 116 ASP H H 8.794 0.005 1 1263 116 116 ASP HA H 4.642 0.021 1 1264 116 116 ASP HB2 H 2.357 0.001 2 1265 116 116 ASP HB3 H 2.804 0.011 2 1266 116 116 ASP C C 173.328 0.000 1 1267 116 116 ASP CA C 53.952 0.000 1 1268 116 116 ASP CB C 43.075 0.195 1 1269 116 116 ASP N N 111.461 0.011 1 1270 117 117 VAL H H 9.025 0.006 1 1271 117 117 VAL HA H 5.267 0.011 1 1272 117 117 VAL HB H 2.038 0.008 1 1273 117 117 VAL HG1 H 1.056 0.003 2 1274 117 117 VAL HG2 H 1.336 0.023 2 1275 117 117 VAL C C 173.482 0.000 1 1276 117 117 VAL CA C 60.457 0.078 1 1277 117 117 VAL CB C 36.726 0.053 1 1278 117 117 VAL CG1 C 22.575 0.098 2 1279 117 117 VAL CG2 C 23.140 0.062 2 1280 117 117 VAL N N 119.396 0.004 1 1281 118 118 LYS H H 9.098 0.002 1 1282 118 118 LYS HA H 4.365 0.009 1 1283 118 118 LYS HB2 H 1.361 0.015 1 1284 118 118 LYS HB3 H 1.361 0.015 1 1285 118 118 LYS HD2 H 1.407 0.003 1 1286 118 118 LYS HD3 H 1.407 0.003 1 1287 118 118 LYS HE2 H 2.561 0.006 2 1288 118 118 LYS HE3 H 2.731 0.005 2 1289 118 118 LYS HG2 H 0.811 0.002 2 1290 118 118 LYS HG3 H 1.086 0.003 2 1291 118 118 LYS C C 173.360 0.000 1 1292 118 118 LYS CA C 56.005 0.023 1 1293 118 118 LYS CB C 38.906 0.069 1 1294 118 118 LYS CD C 29.337 0.043 1 1295 118 118 LYS CE C 42.091 0.058 1 1296 118 118 LYS CG C 26.041 0.078 1 1297 118 118 LYS N N 125.860 0.022 1 1298 119 119 ILE H H 8.466 0.002 1 1299 119 119 ILE HA H 5.063 0.008 1 1300 119 119 ILE HB H 1.554 0.006 1 1301 119 119 ILE HD1 H 0.724 0.014 1 1302 119 119 ILE HG12 H 0.887 0.005 2 1303 119 119 ILE HG13 H 1.505 0.014 2 1304 119 119 ILE HG2 H 0.222 0.018 1 1305 119 119 ILE C C 174.926 0.000 1 1306 119 119 ILE CA C 59.521 0.098 1 1307 119 119 ILE CB C 38.301 0.123 1 1308 119 119 ILE CD1 C 15.185 0.077 1 1309 119 119 ILE CG1 C 28.806 0.113 1 1310 119 119 ILE CG2 C 18.375 0.082 1 1311 119 119 ILE N N 120.800 0.018 1 1312 120 120 TYR H H 9.515 0.016 1 1313 120 120 TYR HA H 4.544 0.007 1 1314 120 120 TYR HB2 H 2.969 0.004 2 1315 120 120 TYR HB3 H 2.957 0.023 2 1316 120 120 TYR HD1 H 6.850 0.007 3 1317 120 120 TYR HD2 H 6.850 0.007 3 1318 120 120 TYR HE1 H 6.527 0.005 3 1319 120 120 TYR HE2 H 6.527 0.005 3 1320 120 120 TYR C C 174.931 0.000 1 1321 120 120 TYR CA C 56.609 0.062 1 1322 120 120 TYR CB C 41.381 0.132 1 1323 120 120 TYR CD1 C 130.543 0.028 3 1324 120 120 TYR CD2 C 130.543 0.028 3 1325 120 120 TYR CE1 C 114.897 0.006 3 1326 120 120 TYR CE2 C 114.897 0.006 3 1327 120 120 TYR N N 126.616 0.011 1 1328 121 121 SER H H 8.657 0.002 1 1329 121 121 SER HA H 4.661 0.011 1 1330 121 121 SER HB2 H 3.967 0.011 1 1331 121 121 SER HB3 H 3.967 0.011 1 1332 121 121 SER C C 176.489 0.000 1 1333 121 121 SER CA C 58.394 0.093 1 1334 121 121 SER CB C 63.651 0.118 1 1335 121 121 SER N N 117.533 0.031 1 1336 122 122 GLY H H 8.500 0.002 1 1337 122 122 GLY HA2 H 4.101 0.007 2 1338 122 122 GLY HA3 H 4.095 0.015 2 1339 122 122 GLY C C 172.272 0.000 1 1340 122 122 GLY CA C 45.379 0.108 1 1341 122 122 GLY N N 113.138 0.032 1 1342 123 123 LYS H H 8.398 0.002 1 1343 123 123 LYS HA H 3.897 0.009 1 1344 123 123 LYS HB2 H 1.121 0.011 2 1345 123 123 LYS HB3 H 1.654 0.006 2 1346 123 123 LYS HD2 H 1.180 0.005 2 1347 123 123 LYS HD3 H 1.262 0.006 2 1348 123 123 LYS HE2 H 2.094 0.006 2 1349 123 123 LYS HE3 H 2.284 0.009 2 1350 123 123 LYS HG2 H 0.442 0.011 2 1351 123 123 LYS HG3 H 0.807 0.007 2 1352 123 123 LYS C C 174.786 0.000 1 1353 123 123 LYS CA C 56.046 0.104 1 1354 123 123 LYS CB C 32.727 0.119 1 1355 123 123 LYS CD C 28.765 0.115 1 1356 123 123 LYS CE C 40.960 0.091 1 1357 123 123 LYS CG C 25.451 0.069 1 1358 123 123 LYS N N 121.654 0.009 1 1359 124 124 ARG H H 8.345 0.003 1 1360 124 124 ARG HA H 4.417 0.010 1 1361 124 124 ARG HB2 H 1.287 0.010 1 1362 124 124 ARG HB3 H 1.287 0.010 1 1363 124 124 ARG HD2 H 2.617 0.009 2 1364 124 124 ARG HD3 H 2.800 0.009 2 1365 124 124 ARG HE H 7.229 0.003 1 1366 124 124 ARG HG2 H 1.096 0.007 2 1367 124 124 ARG HG3 H 1.248 0.007 2 1368 124 124 ARG C C 172.154 0.000 1 1369 124 124 ARG CA C 53.676 0.097 1 1370 124 124 ARG CB C 32.130 0.076 1 1371 124 124 ARG CD C 42.632 0.094 1 1372 124 124 ARG CG C 26.545 0.072 1 1373 124 124 ARG N N 131.523 0.019 1 1374 124 124 ARG NE N 84.079 0.011 1 1375 125 125 ARG H H 7.890 0.002 1 1376 125 125 ARG HA H 3.849 0.009 1 1377 125 125 ARG HB2 H 1.487 0.009 2 1378 125 125 ARG HB3 H 1.682 0.013 2 1379 125 125 ARG HD2 H 3.058 0.008 2 1380 125 125 ARG HD3 H 3.189 0.006 2 1381 125 125 ARG HE H 7.326 0.001 1 1382 125 125 ARG HG2 H 1.391 0.011 2 1383 125 125 ARG HG3 H 1.493 0.006 2 1384 125 125 ARG C C 176.304 0.000 1 1385 125 125 ARG CA C 56.388 0.106 1 1386 125 125 ARG CB C 30.793 0.117 1 1387 125 125 ARG CD C 43.293 0.043 1 1388 125 125 ARG CG C 28.442 0.051 1 1389 125 125 ARG N N 120.478 0.007 1 1390 125 125 ARG NE N 83.525 0.046 1 1391 126 126 ALA H H 9.222 0.006 1 1392 126 126 ALA HA H 4.376 0.010 1 1393 126 126 ALA HB H 1.152 0.010 1 1394 126 126 ALA C C 176.740 0.000 1 1395 126 126 ALA CA C 52.574 0.110 1 1396 126 126 ALA CB C 19.407 0.153 1 1397 126 126 ALA N N 123.453 0.021 1 1398 127 127 ASP H H 6.948 0.012 1 1399 127 127 ASP HA H 3.695 0.008 1 1400 127 127 ASP HB2 H 2.724 0.024 2 1401 127 127 ASP HB3 H 2.772 0.015 2 1402 127 127 ASP C C 174.238 0.000 1 1403 127 127 ASP CA C 52.094 0.129 1 1404 127 127 ASP CB C 40.958 0.093 1 1405 127 127 ASP N N 121.095 0.023 1 1406 128 128 GLN H H 8.176 0.003 1 1407 128 128 GLN HA H 3.681 0.008 1 1408 128 128 GLN HB2 H 1.785 0.016 2 1409 128 128 GLN HB3 H 2.077 0.010 2 1410 128 128 GLN HE21 H 7.152 0.000 1 1411 128 128 GLN HE22 H 8.204 0.000 1 1412 128 128 GLN HG2 H 2.342 0.006 2 1413 128 128 GLN HG3 H 2.445 0.011 2 1414 128 128 GLN C C 177.050 0.000 1 1415 128 128 GLN CA C 59.632 0.099 1 1416 128 128 GLN CB C 27.799 0.146 1 1417 128 128 GLN CG C 33.208 0.148 1 1418 128 128 GLN N N 119.024 0.046 1 1419 128 128 GLN NE2 N 109.204 0.012 1 1420 129 129 GLY H H 7.921 0.005 1 1421 129 129 GLY HA2 H 3.794 0.016 2 1422 129 129 GLY HA3 H 3.816 0.003 2 1423 129 129 GLY C C 176.592 0.000 1 1424 129 129 GLY CA C 46.971 0.069 1 1425 129 129 GLY N N 107.101 0.006 1 1426 130 130 MET H H 8.174 0.002 1 1427 130 130 MET HA H 3.751 0.006 1 1428 130 130 MET HB2 H 1.638 0.011 2 1429 130 130 MET HB3 H 2.193 0.009 2 1430 130 130 MET HE H 1.390 0.003 1 1431 130 130 MET HG2 H 2.185 0.002 1 1432 130 130 MET HG3 H 2.185 0.002 1 1433 130 130 MET C C 177.642 0.000 1 1434 130 130 MET CA C 59.450 0.092 1 1435 130 130 MET CB C 34.826 0.100 1 1436 130 130 MET CE C 16.395 0.107 1 1437 130 130 MET CG C 31.834 0.073 1 1438 130 130 MET N N 124.439 0.020 1 1439 131 131 TYR H H 8.059 0.015 1 1440 131 131 TYR HA H 3.844 0.013 1 1441 131 131 TYR HB2 H 3.054 0.030 2 1442 131 131 TYR HB3 H 3.187 0.014 2 1443 131 131 TYR HD1 H 7.036 0.053 3 1444 131 131 TYR HD2 H 7.036 0.053 3 1445 131 131 TYR HE1 H 6.473 0.004 3 1446 131 131 TYR HE2 H 6.473 0.004 3 1447 131 131 TYR C C 175.834 0.000 1 1448 131 131 TYR CA C 62.391 0.063 1 1449 131 131 TYR CB C 37.776 0.080 1 1450 131 131 TYR CD1 C 130.045 0.119 3 1451 131 131 TYR CD2 C 130.045 0.119 3 1452 131 131 TYR CE1 C 115.454 0.045 3 1453 131 131 TYR CE2 C 115.454 0.045 3 1454 131 131 TYR N N 117.018 0.016 1 1455 132 132 GLU H H 8.800 0.005 1 1456 132 132 GLU HA H 3.442 0.011 1 1457 132 132 GLU HB2 H 2.178 0.000 2 1458 132 132 GLU HB3 H 2.180 0.004 2 1459 132 132 GLU HG2 H 2.404 0.005 2 1460 132 132 GLU HG3 H 2.905 0.006 2 1461 132 132 GLU C C 178.306 0.000 1 1462 132 132 GLU CA C 59.968 0.135 1 1463 132 132 GLU CB C 28.825 0.000 1 1464 132 132 GLU CG C 35.949 0.027 1 1465 132 132 GLU N N 118.385 0.005 1 1466 133 133 ASP H H 7.977 0.004 1 1467 133 133 ASP HA H 4.215 0.001 1 1468 133 133 ASP HB2 H 2.838 0.009 2 1469 133 133 ASP HB3 H 2.845 0.003 2 1470 133 133 ASP C C 178.138 0.000 1 1471 133 133 ASP CA C 57.406 0.065 1 1472 133 133 ASP CB C 42.511 0.000 1 1473 133 133 ASP N N 119.095 0.008 1 1474 134 134 LEU H H 7.660 0.002 1 1475 134 134 LEU HA H 4.013 0.029 1 1476 134 134 LEU HB2 H 1.073 0.007 2 1477 134 134 LEU HB3 H 1.725 0.013 2 1478 134 134 LEU HD1 H 0.685 0.004 2 1479 134 134 LEU HD2 H 0.716 0.014 2 1480 134 134 LEU HG H 2.128 0.006 1 1481 134 134 LEU C C 179.011 0.000 1 1482 134 134 LEU CA C 56.426 0.111 1 1483 134 134 LEU CB C 43.373 0.116 1 1484 134 134 LEU CD1 C 24.620 0.094 2 1485 134 134 LEU CD2 C 27.156 0.158 2 1486 134 134 LEU CG C 27.037 0.127 1 1487 134 134 LEU N N 115.473 0.012 1 1488 135 135 TYR H H 9.018 0.005 1 1489 135 135 TYR HA H 3.503 0.026 1 1490 135 135 TYR HB2 H 1.703 0.035 2 1491 135 135 TYR HB3 H 2.126 0.012 2 1492 135 135 TYR HD1 H 5.773 0.012 3 1493 135 135 TYR HD2 H 5.773 0.012 3 1494 135 135 TYR HE1 H 6.355 0.005 3 1495 135 135 TYR HE2 H 6.355 0.005 3 1496 135 135 TYR C C 174.723 0.000 1 1497 135 135 TYR CA C 61.989 0.216 1 1498 135 135 TYR CB C 39.185 0.050 1 1499 135 135 TYR CD1 C 129.438 0.038 3 1500 135 135 TYR CD2 C 129.438 0.038 3 1501 135 135 TYR CE1 C 114.972 0.029 3 1502 135 135 TYR CE2 C 114.972 0.029 3 1503 135 135 TYR N N 120.960 0.012 1 1504 136 136 TYR H H 7.922 0.003 1 1505 136 136 TYR HA H 4.277 0.015 1 1506 136 136 TYR HB2 H 2.833 0.011 2 1507 136 136 TYR HB3 H 3.227 0.027 2 1508 136 136 TYR HD1 H 7.301 0.004 3 1509 136 136 TYR HD2 H 7.301 0.004 3 1510 136 136 TYR HE1 H 6.762 0.004 3 1511 136 136 TYR HE2 H 6.762 0.004 3 1512 136 136 TYR C C 175.691 0.000 1 1513 136 136 TYR CA C 58.091 0.077 1 1514 136 136 TYR CB C 36.208 0.085 1 1515 136 136 TYR CD1 C 130.216 0.093 3 1516 136 136 TYR CD2 C 130.216 0.093 3 1517 136 136 TYR CE1 C 114.989 0.045 3 1518 136 136 TYR CE2 C 114.989 0.045 3 1519 136 136 TYR N N 111.831 0.004 1 1520 137 137 GLY H H 6.628 0.003 1 1521 137 137 GLY HA2 H 3.440 0.012 2 1522 137 137 GLY HA3 H 4.199 0.005 2 1523 137 137 GLY C C 172.538 0.000 1 1524 137 137 GLY CA C 46.376 0.093 1 1525 137 137 GLY N N 107.706 0.009 1 1526 138 138 ASN H H 8.570 0.006 1 1527 138 138 ASN HA H 4.650 0.033 1 1528 138 138 ASN HB2 H 2.536 0.017 2 1529 138 138 ASN HB3 H 2.631 0.031 2 1530 138 138 ASN HD21 H 6.694 0.002 1 1531 138 138 ASN HD22 H 7.434 0.001 1 1532 138 138 ASN CA C 52.182 0.072 1 1533 138 138 ASN CB C 38.412 0.127 1 1534 138 138 ASN N N 121.287 0.028 1 1535 138 138 ASN ND2 N 112.093 0.016 1 1536 139 139 PRO HA H 4.059 0.006 1 1537 139 139 PRO HB2 H 1.745 0.013 2 1538 139 139 PRO HB3 H 2.046 0.013 2 1539 139 139 PRO HD2 H 2.811 0.005 2 1540 139 139 PRO HD3 H 3.064 0.002 2 1541 139 139 PRO HG2 H 2.261 0.009 1 1542 139 139 PRO HG3 H 2.261 0.009 1 1543 139 139 PRO C C 175.978 0.000 1 1544 139 139 PRO CA C 62.932 0.020 1 1545 139 139 PRO CB C 32.349 0.100 1 1546 139 139 PRO CD C 50.335 0.130 1 1547 139 139 PRO CG C 25.870 0.037 1 1548 140 140 TYR H H 8.276 0.010 1 1549 140 140 TYR HA H 4.205 0.027 1 1550 140 140 TYR HB2 H 2.148 0.017 2 1551 140 140 TYR HB3 H 2.163 0.002 2 1552 140 140 TYR HD1 H 5.886 0.007 3 1553 140 140 TYR HD2 H 5.886 0.007 3 1554 140 140 TYR HE1 H 6.444 0.005 3 1555 140 140 TYR HE2 H 6.444 0.005 3 1556 140 140 TYR C C 175.753 0.000 1 1557 140 140 TYR CA C 57.713 0.079 1 1558 140 140 TYR CB C 39.403 0.000 1 1559 140 140 TYR CD1 C 129.521 0.073 3 1560 140 140 TYR CD2 C 129.521 0.073 3 1561 140 140 TYR CE1 C 114.558 0.032 3 1562 140 140 TYR CE2 C 114.558 0.032 3 1563 140 140 TYR N N 116.628 0.023 1 1564 141 141 ARG H H 8.687 0.002 1 1565 141 141 ARG HA H 4.179 0.015 1 1566 141 141 ARG HB2 H 1.460 0.015 2 1567 141 141 ARG HB3 H 1.504 0.010 2 1568 141 141 ARG HD2 H 2.875 0.010 2 1569 141 141 ARG HD3 H 2.959 0.011 2 1570 141 141 ARG HE H 7.122 0.002 1 1571 141 141 ARG HG2 H 0.801 0.006 2 1572 141 141 ARG HG3 H 1.106 0.007 2 1573 141 141 ARG C C 178.953 0.000 1 1574 141 141 ARG CA C 55.706 0.162 1 1575 141 141 ARG CB C 32.221 0.080 1 1576 141 141 ARG CD C 43.148 0.102 1 1577 141 141 ARG CG C 28.643 0.129 1 1578 141 141 ARG N N 120.786 0.027 1 1579 141 141 ARG NE N 84.889 0.018 1 1580 142 142 GLY H H 8.156 0.004 1 1581 142 142 GLY HA2 H 3.234 0.012 2 1582 142 142 GLY HA3 H 4.565 0.016 2 1583 142 142 GLY C C 173.016 0.000 1 1584 142 142 GLY CA C 47.852 0.115 1 1585 142 142 GLY N N 110.153 0.013 1 1586 143 143 ASP H H 8.134 0.006 1 1587 143 143 ASP HA H 4.613 0.027 1 1588 143 143 ASP HB2 H 2.294 0.011 2 1589 143 143 ASP HB3 H 3.300 0.008 2 1590 143 143 ASP C C 177.694 0.000 1 1591 143 143 ASP CA C 52.082 0.161 1 1592 143 143 ASP CB C 41.512 0.125 1 1593 143 143 ASP N N 124.047 0.015 1 1594 144 144 ASN H H 8.837 0.003 1 1595 144 144 ASN HA H 3.898 0.007 1 1596 144 144 ASN HB2 H 3.049 0.005 2 1597 144 144 ASN HB3 H 3.378 0.017 2 1598 144 144 ASN HD21 H 7.522 0.011 1 1599 144 144 ASN HD22 H 7.357 0.005 1 1600 144 144 ASN C C 172.699 0.000 1 1601 144 144 ASN CA C 55.836 0.170 1 1602 144 144 ASN CB C 38.379 0.075 1 1603 144 144 ASN N N 110.780 0.015 1 1604 144 144 ASN ND2 N 115.165 0.026 1 1605 145 145 GLY H H 8.287 0.002 1 1606 145 145 GLY HA2 H 3.573 0.014 2 1607 145 145 GLY HA3 H 4.655 0.019 2 1608 145 145 GLY C C 171.973 0.000 1 1609 145 145 GLY CA C 43.431 0.149 1 1610 145 145 GLY N N 106.637 0.015 1 1611 146 146 TRP H H 8.492 0.003 1 1612 146 146 TRP HA H 4.962 0.008 1 1613 146 146 TRP HB2 H 3.002 0.015 1 1614 146 146 TRP HB3 H 3.002 0.015 1 1615 146 146 TRP HD1 H 7.297 0.002 1 1616 146 146 TRP HE1 H 10.045 0.040 1 1617 146 146 TRP HE3 H 7.292 0.004 1 1618 146 146 TRP HH2 H 6.813 0.011 1 1619 146 146 TRP HZ2 H 7.120 0.013 1 1620 146 146 TRP HZ3 H 6.840 0.003 1 1621 146 146 TRP C C 177.563 0.000 1 1622 146 146 TRP CA C 57.286 0.141 1 1623 146 146 TRP CB C 30.046 0.056 1 1624 146 146 TRP CD1 C 128.990 0.014 1 1625 146 146 TRP CE3 C 117.681 0.055 1 1626 146 146 TRP CH2 C 121.358 0.022 1 1627 146 146 TRP CZ2 C 112.198 0.020 1 1628 146 146 TRP CZ3 C 118.855 0.054 1 1629 146 146 TRP N N 120.344 0.020 1 1630 146 146 TRP NE1 N 129.820 0.017 1 1631 147 147 HIS H H 9.996 0.010 1 1632 147 147 HIS HA H 4.938 0.011 1 1633 147 147 HIS HB2 H 2.292 0.009 2 1634 147 147 HIS HB3 H 2.617 0.021 2 1635 147 147 HIS HD2 H 7.833 0.019 1 1636 147 147 HIS HE1 H 8.719 0.000 1 1637 147 147 HIS C C 172.946 0.000 1 1638 147 147 HIS CA C 54.882 0.000 1 1639 147 147 HIS CB C 32.068 0.013 1 1640 147 147 HIS CD2 C 119.593 0.089 1 1641 147 147 HIS CE1 C 133.998 0.034 1 1642 147 147 HIS N N 120.286 0.019 1 1643 148 148 GLU H H 8.827 0.007 1 1644 148 148 GLU HA H 5.831 0.010 1 1645 148 148 GLU HB2 H 2.162 0.010 2 1646 148 148 GLU HB3 H 2.223 0.023 2 1647 148 148 GLU HG2 H 2.446 0.005 1 1648 148 148 GLU HG3 H 2.446 0.005 1 1649 148 148 GLU C C 175.391 0.000 1 1650 148 148 GLU CA C 54.715 0.102 1 1651 148 148 GLU CB C 33.822 0.224 1 1652 148 148 GLU CG C 35.302 0.083 1 1653 148 148 GLU N N 120.504 0.013 1 1654 149 149 LYS H H 8.847 0.003 1 1655 149 149 LYS HA H 4.776 0.018 1 1656 149 149 LYS HB2 H 2.103 0.016 1 1657 149 149 LYS HB3 H 2.103 0.016 1 1658 149 149 LYS HD2 H 1.827 0.004 2 1659 149 149 LYS HD3 H 1.858 0.009 2 1660 149 149 LYS HE2 H 3.090 0.007 1 1661 149 149 LYS HE3 H 3.090 0.007 1 1662 149 149 LYS HG2 H 1.323 0.004 2 1663 149 149 LYS HG3 H 1.498 0.007 2 1664 149 149 LYS C C 174.774 0.000 1 1665 149 149 LYS CA C 56.151 0.084 1 1666 149 149 LYS CB C 36.697 0.088 1 1667 149 149 LYS CD C 29.775 0.071 1 1668 149 149 LYS CE C 42.187 0.038 1 1669 149 149 LYS CG C 24.318 0.095 1 1670 149 149 LYS N N 118.573 0.015 1 1671 150 150 ASN H H 8.988 0.002 1 1672 150 150 ASN HA H 4.871 0.007 1 1673 150 150 ASN HB2 H 2.901 0.073 2 1674 150 150 ASN HB3 H 3.083 0.012 2 1675 150 150 ASN HD21 H 6.764 0.002 1 1676 150 150 ASN HD22 H 7.995 0.006 1 1677 150 150 ASN C C 175.967 0.000 1 1678 150 150 ASN CA C 53.543 0.101 1 1679 150 150 ASN CB C 38.458 0.052 1 1680 150 150 ASN N N 122.003 0.011 1 1681 150 150 ASN ND2 N 111.802 0.008 1 1682 151 151 LEU H H 8.741 0.004 1 1683 151 151 LEU HA H 4.468 0.013 1 1684 151 151 LEU HB2 H 1.671 0.009 2 1685 151 151 LEU HB3 H 1.849 0.016 2 1686 151 151 LEU HD1 H 0.807 0.003 2 1687 151 151 LEU HD2 H 0.859 0.004 2 1688 151 151 LEU HG H 1.657 0.003 1 1689 151 151 LEU C C 178.535 0.000 1 1690 151 151 LEU CA C 55.119 0.149 1 1691 151 151 LEU CB C 43.771 0.126 1 1692 151 151 LEU CD1 C 26.622 0.087 2 1693 151 151 LEU CD2 C 23.719 0.049 2 1694 151 151 LEU CG C 26.784 0.129 1 1695 151 151 LEU N N 123.808 0.034 1 1696 152 152 GLY H H 7.944 0.004 1 1697 152 152 GLY HA2 H 3.746 0.008 2 1698 152 152 GLY HA3 H 4.270 0.007 2 1699 152 152 GLY C C 172.873 0.000 1 1700 152 152 GLY CA C 44.385 0.129 1 1701 152 152 GLY N N 106.872 0.021 1 1702 153 153 TYR H H 8.225 0.017 1 1703 153 153 TYR HA H 3.937 0.010 1 1704 153 153 TYR HB2 H 3.080 0.030 2 1705 153 153 TYR HB3 H 3.126 0.019 2 1706 153 153 TYR HD1 H 6.817 0.025 3 1707 153 153 TYR HD2 H 6.817 0.025 3 1708 153 153 TYR HE1 H 6.614 0.000 3 1709 153 153 TYR HE2 H 6.614 0.000 3 1710 153 153 TYR C C 176.090 0.000 1 1711 153 153 TYR CA C 59.462 0.132 1 1712 153 153 TYR CB C 34.860 0.086 1 1713 153 153 TYR CD1 C 130.688 0.089 3 1714 153 153 TYR CD2 C 130.688 0.089 3 1715 153 153 TYR CE1 C 126.117 0.000 3 1716 153 153 TYR CE2 C 126.117 0.000 3 1717 153 153 TYR N N 109.975 0.013 1 1718 154 154 GLY H H 8.499 0.002 1 1719 154 154 GLY HA2 H 3.724 0.007 2 1720 154 154 GLY HA3 H 4.170 0.012 2 1721 154 154 GLY C C 174.864 0.000 1 1722 154 154 GLY CA C 45.631 0.133 1 1723 154 154 GLY N N 104.993 0.010 1 1724 155 155 LEU H H 7.883 0.003 1 1725 155 155 LEU HA H 5.335 0.015 1 1726 155 155 LEU HB2 H 1.978 0.011 2 1727 155 155 LEU HB3 H 1.282 0.005 2 1728 155 155 LEU HD1 H 0.931 0.009 2 1729 155 155 LEU HD2 H 0.898 0.009 2 1730 155 155 LEU HG H 1.746 0.004 1 1731 155 155 LEU C C 175.912 0.000 1 1732 155 155 LEU CA C 53.662 0.098 1 1733 155 155 LEU CB C 46.122 0.112 1 1734 155 155 LEU CD1 C 24.389 0.101 2 1735 155 155 LEU CD2 C 26.722 0.065 2 1736 155 155 LEU CG C 26.746 0.060 1 1737 155 155 LEU N N 119.916 0.035 1 1738 156 156 ARG H H 9.428 0.005 1 1739 156 156 ARG HA H 5.013 0.008 1 1740 156 156 ARG HB2 H 1.817 0.017 2 1741 156 156 ARG HB3 H 1.922 0.027 2 1742 156 156 ARG HD2 H 3.174 0.007 1 1743 156 156 ARG HD3 H 3.174 0.007 1 1744 156 156 ARG HE H 7.288 0.002 1 1745 156 156 ARG HG2 H 1.572 0.002 2 1746 156 156 ARG HG3 H 1.624 0.013 2 1747 156 156 ARG C C 173.557 0.000 1 1748 156 156 ARG CA C 54.846 0.110 1 1749 156 156 ARG CB C 33.877 0.064 1 1750 156 156 ARG CD C 43.469 0.104 1 1751 156 156 ARG CG C 27.119 0.086 1 1752 156 156 ARG N N 120.084 0.010 1 1753 156 156 ARG NE N 85.165 0.018 1 1754 157 157 MET H H 9.031 0.005 1 1755 157 157 MET HA H 5.719 0.013 1 1756 157 157 MET HB2 H 2.029 0.010 2 1757 157 157 MET HB3 H 2.288 0.014 2 1758 157 157 MET HG2 H 2.642 0.005 2 1759 157 157 MET HG3 H 2.715 0.004 2 1760 157 157 MET C C 174.972 0.000 1 1761 157 157 MET CA C 53.711 0.120 1 1762 157 157 MET CB C 36.319 0.128 1 1763 157 157 MET CG C 32.084 0.039 1 1764 157 157 MET N N 120.774 0.020 1 1765 158 158 LYS H H 8.739 0.006 1 1766 158 158 LYS HA H 5.663 0.010 1 1767 158 158 LYS HB2 H 1.954 0.008 1 1768 158 158 LYS HB3 H 1.954 0.008 1 1769 158 158 LYS HD2 H 1.453 0.007 2 1770 158 158 LYS HD3 H 1.531 0.008 2 1771 158 158 LYS HE2 H 2.252 0.008 2 1772 158 158 LYS HE3 H 2.555 0.008 2 1773 158 158 LYS HG2 H 1.556 0.008 2 1774 158 158 LYS HG3 H 1.651 0.009 2 1775 158 158 LYS C C 176.351 0.000 1 1776 158 158 LYS CA C 56.417 0.101 1 1777 158 158 LYS CB C 36.486 0.075 1 1778 158 158 LYS CD C 29.720 0.122 1 1779 158 158 LYS CE C 41.616 0.126 1 1780 158 158 LYS CG C 26.037 0.077 1 1781 158 158 LYS N N 126.041 0.012 1 1782 159 159 GLY H H 9.719 0.012 1 1783 159 159 GLY HA2 H 4.098 0.011 2 1784 159 159 GLY HA3 H 5.584 0.015 2 1785 159 159 GLY C C 169.313 0.000 1 1786 159 159 GLY CA C 47.898 0.093 1 1787 159 159 GLY N N 114.689 0.018 1 1788 160 160 ILE H H 8.157 0.010 1 1789 160 160 ILE HA H 4.461 0.008 1 1790 160 160 ILE HB H 0.070 0.015 1 1791 160 160 ILE HD1 H -0.147 0.009 1 1792 160 160 ILE HG12 H 0.114 0.002 2 1793 160 160 ILE HG13 H 1.038 0.012 2 1794 160 160 ILE HG2 H -0.114 0.009 1 1795 160 160 ILE C C 170.350 0.000 1 1796 160 160 ILE CA C 58.660 0.138 1 1797 160 160 ILE CB C 41.881 0.059 1 1798 160 160 ILE CD1 C 13.471 0.046 1 1799 160 160 ILE CG1 C 28.833 0.096 1 1800 160 160 ILE CG2 C 15.312 0.137 1 1801 160 160 ILE N N 118.489 0.019 1 1802 161 161 MET H H 8.537 0.009 1 1803 161 161 MET HA H 5.296 0.013 1 1804 161 161 MET HB2 H 0.692 0.023 2 1805 161 161 MET HB3 H 1.453 0.018 2 1806 161 161 MET HE H 2.202 0.003 1 1807 161 161 MET HG2 H 2.024 0.006 2 1808 161 161 MET HG3 H 3.582 0.006 2 1809 161 161 MET C C 176.180 0.000 1 1810 161 161 MET CA C 53.682 0.099 1 1811 161 161 MET CB C 36.923 0.101 1 1812 161 161 MET CE C 19.124 0.141 1 1813 161 161 MET CG C 32.236 0.064 1 1814 161 161 MET N N 125.024 0.014 1 1815 162 162 THR H H 8.438 0.007 1 1816 162 162 THR HA H 4.792 0.009 1 1817 162 162 THR HB H 4.754 0.023 1 1818 162 162 THR HG2 H 1.246 0.009 1 1819 162 162 THR C C 175.102 0.000 1 1820 162 162 THR CA C 61.424 0.199 1 1821 162 162 THR CB C 70.231 0.119 1 1822 162 162 THR N N 115.923 0.020 1 1823 163 163 SER H H 8.075 0.001 1 1824 163 163 SER HA H 4.557 0.008 1 1825 163 163 SER HB2 H 3.737 0.008 2 1826 163 163 SER HB3 H 4.150 0.009 2 1827 163 163 SER C C 174.758 0.000 1 1828 163 163 SER CA C 59.376 0.189 1 1829 163 163 SER CB C 65.443 0.135 1 1830 163 163 SER N N 110.138 0.016 1 1831 164 164 ALA H H 7.046 0.003 1 1832 164 164 ALA HA H 4.282 0.008 1 1833 164 164 ALA HB H 1.427 0.010 1 1834 164 164 ALA C C 176.332 0.000 1 1835 164 164 ALA CA C 51.168 0.090 1 1836 164 164 ALA CB C 21.376 0.033 1 1837 164 164 ALA N N 125.170 0.017 1 1838 165 165 GLY H H 8.165 0.003 1 1839 165 165 GLY HA2 H 3.644 0.019 2 1840 165 165 GLY HA3 H 4.764 0.019 2 1841 165 165 GLY C C 173.097 0.000 1 1842 165 165 GLY CA C 47.063 0.115 1 1843 165 165 GLY N N 104.228 0.051 1 1844 166 166 GLU H H 6.733 0.003 1 1845 166 166 GLU HA H 4.737 0.013 1 1846 166 166 GLU HB2 H 2.096 0.026 2 1847 166 166 GLU HB3 H 1.708 0.010 2 1848 166 166 GLU HG2 H 2.017 0.002 2 1849 166 166 GLU HG3 H 2.412 0.005 2 1850 166 166 GLU C C 174.716 0.000 1 1851 166 166 GLU CA C 54.029 0.105 1 1852 166 166 GLU CB C 27.700 0.138 1 1853 166 166 GLU CG C 34.630 0.134 1 1854 166 166 GLU N N 115.936 0.015 1 1855 167 167 ALA H H 8.567 0.005 1 1856 167 167 ALA HA H 4.056 0.008 1 1857 167 167 ALA HB H 1.344 0.008 1 1858 167 167 ALA C C 175.143 0.000 1 1859 167 167 ALA CA C 52.238 0.066 1 1860 167 167 ALA CB C 21.166 0.158 1 1861 167 167 ALA N N 126.627 0.021 1 1862 168 168 LYS H H 7.837 0.002 1 1863 168 168 LYS HA H 5.003 0.008 1 1864 168 168 LYS HB2 H 0.961 0.027 2 1865 168 168 LYS HB3 H 1.109 0.014 2 1866 168 168 LYS HD2 H 0.689 0.008 2 1867 168 168 LYS HD3 H 1.449 0.007 2 1868 168 168 LYS HE2 H 2.187 0.008 2 1869 168 168 LYS HE3 H 2.484 0.005 2 1870 168 168 LYS HG2 H 1.445 0.003 1 1871 168 168 LYS HG3 H 1.445 0.003 1 1872 168 168 LYS C C 174.540 0.000 1 1873 168 168 LYS CA C 54.728 0.092 1 1874 168 168 LYS CB C 36.206 0.083 1 1875 168 168 LYS CD C 28.535 0.144 1 1876 168 168 LYS CE C 40.742 0.121 1 1877 168 168 LYS CG C 24.756 0.042 1 1878 168 168 LYS N N 116.514 0.010 1 1879 169 169 MET H H 8.553 0.008 1 1880 169 169 MET HA H 5.290 0.010 1 1881 169 169 MET HB2 H 1.952 0.016 2 1882 169 169 MET HB3 H 1.532 0.006 2 1883 169 169 MET HE H 2.191 0.013 1 1884 169 169 MET HG2 H 1.878 0.004 1 1885 169 169 MET HG3 H 1.878 0.004 1 1886 169 169 MET C C 172.245 0.000 1 1887 169 169 MET CA C 54.380 0.127 1 1888 169 169 MET CB C 38.738 0.090 1 1889 169 169 MET CE C 19.803 0.008 1 1890 169 169 MET CG C 31.610 0.107 1 1891 169 169 MET N N 121.610 0.009 1 1892 170 170 GLN H H 8.619 0.008 1 1893 170 170 GLN HA H 5.464 0.011 1 1894 170 170 GLN HB2 H 1.865 0.014 1 1895 170 170 GLN HB3 H 1.865 0.014 1 1896 170 170 GLN HE21 H 6.203 0.003 1 1897 170 170 GLN HE22 H 7.147 0.002 1 1898 170 170 GLN HG2 H 2.088 0.004 2 1899 170 170 GLN HG3 H 2.276 0.006 2 1900 170 170 GLN C C 174.069 0.000 1 1901 170 170 GLN CA C 54.253 0.077 1 1902 170 170 GLN CB C 32.041 0.107 1 1903 170 170 GLN CG C 33.969 0.139 1 1904 170 170 GLN N N 127.736 0.012 1 1905 170 170 GLN NE2 N 105.928 0.032 1 1906 171 171 ILE H H 8.758 0.006 1 1907 171 171 ILE HA H 5.282 0.012 1 1908 171 171 ILE HB H 1.916 0.005 1 1909 171 171 ILE HD1 H 0.951 0.006 1 1910 171 171 ILE HG12 H 1.134 0.009 2 1911 171 171 ILE HG13 H 1.427 0.004 2 1912 171 171 ILE HG2 H 1.175 0.005 1 1913 171 171 ILE C C 174.332 0.000 1 1914 171 171 ILE CA C 59.563 0.100 1 1915 171 171 ILE CB C 43.290 0.100 1 1916 171 171 ILE CD1 C 14.179 0.105 1 1917 171 171 ILE CG1 C 27.874 0.092 1 1918 171 171 ILE CG2 C 19.343 0.058 1 1919 171 171 ILE N N 123.990 0.005 1 1920 172 172 LYS H H 9.933 0.005 1 1921 172 172 LYS HA H 5.299 0.008 1 1922 172 172 LYS HB2 H 2.046 0.014 1 1923 172 172 LYS HB3 H 2.046 0.014 1 1924 172 172 LYS HD2 H 1.707 0.006 1 1925 172 172 LYS HD3 H 1.707 0.006 1 1926 172 172 LYS HE2 H 2.914 0.003 1 1927 172 172 LYS HE3 H 2.914 0.003 1 1928 172 172 LYS HG2 H 1.295 0.010 2 1929 172 172 LYS HG3 H 1.476 0.005 2 1930 172 172 LYS C C 175.179 0.000 1 1931 172 172 LYS CA C 56.009 0.119 1 1932 172 172 LYS CB C 35.776 0.057 1 1933 172 172 LYS CD C 29.544 0.146 1 1934 172 172 LYS CE C 41.499 0.120 1 1935 172 172 LYS CG C 25.050 0.080 1 1936 172 172 LYS N N 128.969 0.020 1 1937 173 173 ILE H H 8.772 0.004 1 1938 173 173 ILE HA H 5.306 0.015 1 1939 173 173 ILE HB H 2.654 0.010 1 1940 173 173 ILE HD1 H 0.917 0.010 1 1941 173 173 ILE HG12 H 1.725 0.016 2 1942 173 173 ILE HG13 H 1.788 0.022 2 1943 173 173 ILE HG2 H 1.106 0.007 1 1944 173 173 ILE C C 174.429 0.000 1 1945 173 173 ILE CA C 57.866 0.130 1 1946 173 173 ILE CB C 37.386 0.112 1 1947 173 173 ILE CD1 C 11.752 0.124 1 1948 173 173 ILE CG1 C 26.857 0.108 1 1949 173 173 ILE CG2 C 18.086 0.068 1 1950 173 173 ILE N N 129.026 0.013 1 1951 174 174 SER H H 9.165 0.006 1 1952 174 174 SER HA H 4.939 0.009 1 1953 174 174 SER HB2 H 3.615 0.009 2 1954 174 174 SER HB3 H 4.055 0.014 2 1955 174 174 SER C C 172.223 0.000 1 1956 174 174 SER CA C 57.042 0.149 1 1957 174 174 SER CB C 67.332 0.175 1 1958 174 174 SER N N 120.965 0.016 1 1959 175 175 ARG H H 7.739 0.002 1 1960 175 175 ARG HA H 4.762 0.009 1 1961 175 175 ARG HB2 H 1.993 0.007 2 1962 175 175 ARG HB3 H 1.846 0.006 2 1963 175 175 ARG HD2 H 3.279 0.006 1 1964 175 175 ARG HD3 H 3.279 0.006 1 1965 175 175 ARG HE H 7.158 0.000 1 1966 175 175 ARG HG2 H 1.757 0.007 1 1967 175 175 ARG HG3 H 1.757 0.007 1 1968 175 175 ARG CA C 57.535 0.125 1 1969 175 175 ARG CB C 31.496 0.094 1 1970 175 175 ARG CD C 43.648 0.103 1 1971 175 175 ARG CG C 27.865 0.090 1 1972 175 175 ARG N N 124.957 0.016 1 1973 175 175 ARG NE N 85.117 0.000 1 stop_ save_