data_16619 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence-specific 1H, 13C, and 15N resonance assignments of Diva (Boo), an apoptosis regulator of the Bcl-2 family ; _BMRB_accession_number 16619 _BMRB_flat_file_name bmr16619.str _Entry_type original _Submission_date 2009-11-27 _Accession_date 2009-11-27 _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 Sborgi Lorenzo . . 2 'de Alba' Eva . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 924 "13C chemical shifts" 699 "15N chemical shifts" 162 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-18 update BMRB 'complete entry citation' 2010-02-08 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Sequence-specific 1H, 13C, and 15N resonance assignments of Diva (Boo), an apoptosis regulator of the Bcl-2 family.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20127209 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sborgi Lorenzo . . 2 'de Alba' Eva . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular 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 65 _Page_last 68 _Year 2010 _Details . loop_ _Keyword apoptosis 'Bcl-2 family' Boo Diva stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Diva (Boo)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Diva (Boo)' $Diva_(Boo) stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Diva_(Boo) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Diva_(Boo) _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 160 _Mol_residue_sequence ; MADSQDPLHERTRRLLSDYI FFCAREPDTPEPPPTSVEAA LLRSVTRQIQQEHQEFFSSF CESRGNRLELVKQMADKLLS KDQDFSWSQLVMLLAFAGTL MNQGPYMAVKQKRDLGNRVI VTRDCCLIVNFLYNLLMGRR HRARLEALGGWDGFCRFFKN ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 ASP 4 SER 5 GLN 6 ASP 7 PRO 8 LEU 9 HIS 10 GLU 11 ARG 12 THR 13 ARG 14 ARG 15 LEU 16 LEU 17 SER 18 ASP 19 TYR 20 ILE 21 PHE 22 PHE 23 CYS 24 ALA 25 ARG 26 GLU 27 PRO 28 ASP 29 THR 30 PRO 31 GLU 32 PRO 33 PRO 34 PRO 35 THR 36 SER 37 VAL 38 GLU 39 ALA 40 ALA 41 LEU 42 LEU 43 ARG 44 SER 45 VAL 46 THR 47 ARG 48 GLN 49 ILE 50 GLN 51 GLN 52 GLU 53 HIS 54 GLN 55 GLU 56 PHE 57 PHE 58 SER 59 SER 60 PHE 61 CYS 62 GLU 63 SER 64 ARG 65 GLY 66 ASN 67 ARG 68 LEU 69 GLU 70 LEU 71 VAL 72 LYS 73 GLN 74 MET 75 ALA 76 ASP 77 LYS 78 LEU 79 LEU 80 SER 81 LYS 82 ASP 83 GLN 84 ASP 85 PHE 86 SER 87 TRP 88 SER 89 GLN 90 LEU 91 VAL 92 MET 93 LEU 94 LEU 95 ALA 96 PHE 97 ALA 98 GLY 99 THR 100 LEU 101 MET 102 ASN 103 GLN 104 GLY 105 PRO 106 TYR 107 MET 108 ALA 109 VAL 110 LYS 111 GLN 112 LYS 113 ARG 114 ASP 115 LEU 116 GLY 117 ASN 118 ARG 119 VAL 120 ILE 121 VAL 122 THR 123 ARG 124 ASP 125 CYS 126 CYS 127 LEU 128 ILE 129 VAL 130 ASN 131 PHE 132 LEU 133 TYR 134 ASN 135 LEU 136 LEU 137 MET 138 GLY 139 ARG 140 ARG 141 HIS 142 ARG 143 ALA 144 ARG 145 LEU 146 GLU 147 ALA 148 LEU 149 GLY 150 GLY 151 TRP 152 ASP 153 GLY 154 PHE 155 CYS 156 ARG 157 PHE 158 PHE 159 LYS 160 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 PDB 2KUA "Solution Structure Of A Divergent Bcl-2 Protein" 100.00 170 100.00 100.00 3.84e-114 DBJ BAE22856 "unnamed protein product [Mus musculus]" 100.00 191 100.00 100.00 9.20e-114 DBJ BAE26403 "unnamed protein product [Mus musculus]" 100.00 191 100.00 100.00 9.20e-114 DBJ BAE36742 "unnamed protein product [Mus musculus]" 100.00 191 100.00 100.00 9.20e-114 GB AAC83150 "Bcl-2 homolog [Mus musculus]" 100.00 191 100.00 100.00 9.20e-114 GB AAD08703 "Bcl-2 homolog [Mus musculus]" 100.00 191 100.00 100.00 9.20e-114 GB AAH52690 "Bcl2l10 protein [Mus musculus]" 100.00 191 99.38 99.38 9.85e-113 GB EDL26315 "Bcl2-like 10 [Mus musculus]" 100.00 191 100.00 100.00 9.20e-114 REF NP_038507 "bcl-2-like protein 10 [Mus musculus]" 100.00 191 100.00 100.00 9.20e-114 SP Q9Z0F3 "RecName: Full=Bcl-2-like protein 10; Short=Bcl2-L-10; AltName: Full=Anti-apoptotic protein Boo; AltName: Full=Apoptosis regulat" 100.00 191 100.00 100.00 9.20e-114 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Diva_(Boo) Mouse 10090 Eukaryota Metazoa Mus musculus 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 $Diva_(Boo) 'recombinant technology' . Escherichia coli . pBAT4 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 $Diva_(Boo) ~0.2 mM '[U-13C; U-15N]' 'sodium acetate' 20 mM [U-2H] 'sodium azide' 0.1 mM 'natural abundance' TCEP 5 mM [U-2H] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Diva_(Boo) ~0.1 mM '[U-13C; U-15N]' 'sodium acetate' 20 mM [U-2H] 'sodium azide' 0.1 mM 'natural abundance' TCEP 5 mM [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_PIPP _Saveframe_category software _Name PIPP _Version . loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance III' _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'equipped with cryogenic probe' 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_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _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_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_4D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C 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 5.4 . pH pressure 1 . atm temperature 308 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH* 5 . pH pressure 1 . atm temperature 308 . 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 TSP C 13 'methyl protons' ppm 0.00 external indirect . . . 0.251449530 TSP H 1 'methyl protons' ppm 0.00 external direct . . . 1.000000000 TSP N 15 'methyl protons' ppm 0.00 external 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_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D C(CO)NH' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D 1H-15N NOESY' '3D HCCH-TOCSY' '4D 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 'Diva (Boo)' _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 MET HA H 4.3510 0.05 1 2 1 1 MET HB2 H 2.0940 0.05 2 3 1 1 MET HB3 H 1.8750 0.05 2 4 1 1 MET HE H 2.0620 0.05 1 5 1 1 MET HG2 H 2.4900 0.05 2 6 1 1 MET HG3 H 2.5580 0.05 2 7 1 1 MET C C 175.8780 0.04 1 8 1 1 MET CA C 55.6290 0.5 1 9 1 1 MET CB C 32.8770 0.5 1 10 1 1 MET CE C 17.2290 0.5 1 11 1 1 MET CG C 32.3780 0.5 1 12 2 2 ALA H H 8.0952 0.006 1 13 2 2 ALA HA H 4.3348 0.05 1 14 2 2 ALA HB H 1.4064 0.05 1 15 2 2 ALA CA C 53.2260 0.5 1 16 2 2 ALA CB C 18.9000 0.5 1 17 2 2 ALA N N 123.8907 0.1 1 18 3 3 ASP HA H 4.6820 0.05 1 19 3 3 ASP HB2 H 2.7080 0.05 2 20 3 3 ASP HB3 H 2.6410 0.05 2 21 3 3 ASP C C 176.1130 0.04 1 22 3 3 ASP CA C 54.5680 0.5 1 23 3 3 ASP CB C 41.5270 0.5 1 24 4 4 SER H H 8.3365 0.006 1 25 4 4 SER HA H 4.3920 0.05 1 26 4 4 SER HB2 H 3.8370 0.05 2 27 4 4 SER HB3 H 3.8370 0.05 2 28 4 4 SER C C 174.4930 0.04 1 29 4 4 SER CA C 58.7340 0.5 1 30 4 4 SER CB C 63.9630 0.5 1 31 4 4 SER N N 115.9116 0.1 1 32 5 5 GLN H H 8.4319 0.006 1 33 5 5 GLN HA H 4.4240 0.05 1 34 5 5 GLN HB2 H 2.1670 0.05 2 35 5 5 GLN HB3 H 1.9830 0.05 2 36 5 5 GLN HE21 H 7.4150 0.05 2 37 5 5 GLN HE22 H 6.7090 0.05 2 38 5 5 GLN HG2 H 2.4230 0.05 2 39 5 5 GLN HG3 H 2.4230 0.05 2 40 5 5 GLN C C 175.3970 0.04 1 41 5 5 GLN CA C 55.6380 0.5 1 42 5 5 GLN CB C 29.4810 0.5 1 43 5 5 GLN CG C 34.2060 0.5 1 44 5 5 GLN N N 121.6042 0.1 1 45 5 5 GLN NE2 N 113.1110 0.1 1 46 6 6 ASP H H 8.2901 0.006 1 47 6 6 ASP HA H 4.9000 0.05 1 48 6 6 ASP HB2 H 2.9820 0.05 2 49 6 6 ASP HB3 H 2.6980 0.05 2 50 6 6 ASP CA C 52.5590 0.5 1 51 6 6 ASP CB C 41.2270 0.5 1 52 6 6 ASP N N 122.5219 0.1 1 53 7 7 PRO HA H 4.5270 0.05 1 54 7 7 PRO HB2 H 2.5390 0.05 2 55 7 7 PRO HB3 H 2.0970 0.05 2 56 7 7 PRO HD2 H 3.7500 0.05 2 57 7 7 PRO HD3 H 3.7500 0.05 2 58 7 7 PRO HG2 H 2.1600 0.05 2 59 7 7 PRO HG3 H 2.1600 0.05 2 60 7 7 PRO C C 178.4640 0.04 1 61 7 7 PRO CA C 65.5210 0.5 1 62 7 7 PRO CB C 32.3900 0.5 1 63 7 7 PRO CD C 50.3010 0.5 1 64 7 7 PRO CG C 27.3100 0.5 1 65 8 8 LEU H H 8.3829 0.006 1 66 8 8 LEU HA H 4.1440 0.05 1 67 8 8 LEU HD1 H 0.9851 0.05 2 68 8 8 LEU HD2 H 0.9851 0.05 2 69 8 8 LEU CA C 58.3730 0.5 1 70 8 8 LEU CB C 41.5080 0.5 1 71 8 8 LEU N N 119.3972 0.1 1 72 9 9 HIS HA H 4.7470 0.05 1 73 9 9 HIS HB2 H 3.7480 0.05 2 74 9 9 HIS HB3 H 3.7480 0.05 2 75 9 9 HIS C C 177.3240 0.04 1 76 9 9 HIS CA C 59.9880 0.5 1 77 9 9 HIS CB C 28.5140 0.5 1 78 10 10 GLU H H 8.2196 0.006 1 79 10 10 GLU HA H 4.1920 0.05 1 80 10 10 GLU HB2 H 2.0990 0.05 2 81 10 10 GLU HB3 H 2.0990 0.05 2 82 10 10 GLU HG2 H 2.3340 0.05 2 83 10 10 GLU HG3 H 2.3340 0.05 2 84 10 10 GLU C C 178.8990 0.04 1 85 10 10 GLU CA C 59.7030 0.5 1 86 10 10 GLU CB C 29.6430 0.5 1 87 10 10 GLU CG C 35.8770 0.5 1 88 10 10 GLU N N 120.4332 0.1 1 89 11 11 ARG H H 8.8266 0.006 1 90 11 11 ARG HA H 4.0000 0.05 1 91 11 11 ARG HB2 H 2.1020 0.05 2 92 11 11 ARG HB3 H 2.1020 0.05 2 93 11 11 ARG HD2 H 3.1490 0.05 2 94 11 11 ARG HD3 H 3.1490 0.05 2 95 11 11 ARG HG2 H 1.5787 0.05 2 96 11 11 ARG C C 179.9790 0.04 1 97 11 11 ARG CA C 60.0300 0.5 1 98 11 11 ARG CB C 31.5240 0.5 1 99 11 11 ARG CD C 43.3040 0.5 1 100 11 11 ARG CG C 27.4630 0.5 1 101 11 11 ARG N N 118.9656 0.1 1 102 12 12 THR H H 8.2791 0.006 1 103 12 12 THR HA H 3.7530 0.05 1 104 12 12 THR HB H 4.6850 0.05 1 105 12 12 THR HG2 H 1.4730 0.05 1 106 12 12 THR C C 175.1320 0.04 1 107 12 12 THR CA C 67.6980 0.5 1 108 12 12 THR CB C 68.8900 0.5 1 109 12 12 THR CG2 C 22.1700 0.5 1 110 12 12 THR N N 115.7474 0.1 1 111 13 13 ARG H H 8.4360 0.006 1 112 13 13 ARG HA H 3.6340 0.05 1 113 13 13 ARG HB2 H 1.7730 0.05 2 114 13 13 ARG HB3 H 1.7730 0.05 2 115 13 13 ARG HD2 H 2.8326 0.05 2 116 13 13 ARG HD3 H 2.8326 0.05 2 117 13 13 ARG HG2 H 1.4710 0.05 2 118 13 13 ARG HG3 H 1.4710 0.05 2 119 13 13 ARG C C 178.4820 0.04 1 120 13 13 ARG CA C 61.2530 0.5 1 121 13 13 ARG CB C 29.4810 0.5 1 122 13 13 ARG CD C 42.6990 0.5 1 123 13 13 ARG CG C 27.2710 0.5 1 124 13 13 ARG N N 122.2886 0.1 1 125 14 14 ARG H H 8.3163 0.006 1 126 14 14 ARG HA H 3.9020 0.05 1 127 14 14 ARG HB2 H 1.7750 0.05 2 128 14 14 ARG HB3 H 1.7750 0.05 2 129 14 14 ARG HD2 H 3.1770 0.05 2 130 14 14 ARG HD3 H 3.1770 0.05 2 131 14 14 ARG HG2 H 1.5940 0.05 2 132 14 14 ARG HG3 H 1.8440 0.05 2 133 14 14 ARG C C 178.2310 0.04 1 134 14 14 ARG CA C 59.5910 0.5 1 135 14 14 ARG CB C 30.2620 0.5 1 136 14 14 ARG CD C 43.6250 0.5 1 137 14 14 ARG CG C 28.2250 0.5 1 138 14 14 ARG N N 117.8780 0.1 1 139 15 15 LEU H H 7.3366 0.006 1 140 15 15 LEU HA H 4.0520 0.05 1 141 15 15 LEU HB2 H 1.1200 0.05 2 142 15 15 LEU HB3 H 1.3400 0.05 2 143 15 15 LEU HD1 H 0.3300 0.05 2 144 15 15 LEU HD2 H -0.5700 0.05 2 145 15 15 LEU HG H 0.5861 0.05 1 146 15 15 LEU C C 177.7960 0.04 1 147 15 15 LEU CA C 57.3720 0.5 1 148 15 15 LEU CB C 41.1960 0.5 1 149 15 15 LEU CD1 C 23.0000 0.5 2 150 15 15 LEU CD2 C 23.1130 0.5 2 151 15 15 LEU CG C 26.4900 0.5 1 152 15 15 LEU N N 120.7764 0.1 1 153 16 16 LEU H H 7.9037 0.006 1 154 16 16 LEU HA H 3.8490 0.05 1 155 16 16 LEU HB2 H 1.9960 0.05 2 156 16 16 LEU HB3 H 1.3040 0.05 2 157 16 16 LEU HD1 H 0.9890 0.05 2 158 16 16 LEU HD2 H 0.7530 0.05 2 159 16 16 LEU HG H 2.0070 0.05 1 160 16 16 LEU C C 178.2920 0.04 1 161 16 16 LEU CA C 57.9790 0.5 1 162 16 16 LEU CB C 43.4670 0.5 1 163 16 16 LEU CD1 C 26.7900 0.5 2 164 16 16 LEU CD2 C 22.6330 0.5 2 165 16 16 LEU CG C 26.8820 0.5 1 166 16 16 LEU N N 116.4359 0.1 1 167 17 17 SER H H 8.2399 0.006 1 168 17 17 SER HA H 4.1650 0.05 1 169 17 17 SER HB2 H 3.9080 0.05 2 170 17 17 SER HB3 H 3.9080 0.05 2 171 17 17 SER C C 175.5100 0.04 1 172 17 17 SER CA C 62.4160 0.5 1 173 17 17 SER CB C 63.0170 0.5 1 174 17 17 SER N N 112.7115 0.1 1 175 18 18 ASP H H 7.9494 0.006 1 176 18 18 ASP HA H 4.1890 0.05 1 177 18 18 ASP HB2 H 2.6380 0.05 2 178 18 18 ASP HB3 H 2.9630 0.05 2 179 18 18 ASP C C 178.6220 0.04 1 180 18 18 ASP CA C 57.7860 0.5 1 181 18 18 ASP CB C 43.3340 0.5 1 182 18 18 ASP N N 120.6469 0.1 1 183 19 19 TYR H H 8.3839 0.006 1 184 19 19 TYR HA H 4.5310 0.05 1 185 19 19 TYR HB2 H 3.4000 0.05 2 186 19 19 TYR HB3 H 3.4000 0.05 2 187 19 19 TYR C C 178.0930 0.04 1 188 19 19 TYR CA C 62.3620 0.5 1 189 19 19 TYR CB C 40.0410 0.5 1 190 19 19 TYR N N 116.2116 0.1 1 191 20 20 ILE H H 8.7975 0.006 1 192 20 20 ILE HA H 3.4600 0.05 1 193 20 20 ILE HB H 2.0630 0.05 1 194 20 20 ILE HD1 H 0.6282 0.05 1 195 20 20 ILE HG12 H 2.0210 0.05 2 196 20 20 ILE HG13 H 1.2300 0.05 2 197 20 20 ILE HG2 H 0.6925 0.05 1 198 20 20 ILE C C 177.8960 0.04 1 199 20 20 ILE CA C 62.6130 0.5 1 200 20 20 ILE CB C 34.1860 0.5 1 201 20 20 ILE CD1 C 8.2240 0.5 1 202 20 20 ILE CG1 C 27.5030 0.5 1 203 20 20 ILE CG2 C 17.3020 0.5 1 204 20 20 ILE N N 119.2731 0.1 1 205 21 21 PHE H H 7.9745 0.006 1 206 21 21 PHE HA H 4.1720 0.05 1 207 21 21 PHE HB2 H 2.9850 0.05 2 208 21 21 PHE HB3 H 3.2480 0.05 2 209 21 21 PHE HD1 H 7.6326 0.05 3 210 21 21 PHE HD2 H 7.6326 0.05 3 211 21 21 PHE HE1 H 7.2996 0.05 3 212 21 21 PHE HE2 H 7.2996 0.05 3 213 21 21 PHE HZ H 7.4127 0.05 1 214 21 21 PHE C C 179.5780 0.04 1 215 21 21 PHE CA C 63.0020 0.5 1 216 21 21 PHE CB C 37.1960 0.5 1 217 21 21 PHE CD1 C 132.1370 0.5 3 218 21 21 PHE CD2 C 132.1370 0.5 3 219 21 21 PHE CE1 C 131.0870 0.5 3 220 21 21 PHE CE2 C 131.0870 0.5 3 221 21 21 PHE CZ C 129.9870 0.5 1 222 21 21 PHE N N 115.0437 0.1 1 223 22 22 PHE H H 8.0723 0.006 1 224 22 22 PHE HA H 4.1870 0.05 1 225 22 22 PHE HB2 H 3.6510 0.05 2 226 22 22 PHE HB3 H 3.4247 0.05 2 227 22 22 PHE HD1 H 7.1921 0.05 3 228 22 22 PHE HD2 H 7.1921 0.05 3 229 22 22 PHE HE1 H 7.2996 0.05 3 230 22 22 PHE HE2 H 7.2996 0.05 3 231 22 22 PHE HZ H 7.4322 0.05 1 232 22 22 PHE C C 178.3540 0.04 1 233 22 22 PHE CA C 61.5820 0.5 1 234 22 22 PHE CB C 38.1160 0.5 1 235 22 22 PHE CD1 C 132.0850 0.5 3 236 22 22 PHE CD2 C 132.0850 0.5 3 237 22 22 PHE CE1 C 131.0870 0.5 3 238 22 22 PHE CE2 C 131.0870 0.5 3 239 22 22 PHE CZ C 129.9870 0.5 1 240 22 22 PHE N N 122.1315 0.1 1 241 23 23 CYS H H 8.0379 0.006 1 242 23 23 CYS HA H 3.4560 0.05 1 243 23 23 CYS HB2 H 2.6260 0.05 2 244 23 23 CYS HB3 H 2.6260 0.05 2 245 23 23 CYS C C 175.2400 0.04 1 246 23 23 CYS CA C 63.6390 0.5 1 247 23 23 CYS CB C 27.2780 0.5 1 248 23 23 CYS N N 119.7738 0.1 1 249 24 24 ALA H H 7.2921 0.006 1 250 24 24 ALA HA H 4.3520 0.05 1 251 24 24 ALA HB H 1.1620 0.05 1 252 24 24 ALA C C 176.1470 0.04 1 253 24 24 ALA CA C 51.2910 0.5 1 254 24 24 ALA CB C 20.4000 0.5 1 255 24 24 ALA N N 119.6180 0.1 1 256 25 25 ARG H H 6.7204 0.006 1 257 25 25 ARG HA H 4.1910 0.05 1 258 25 25 ARG HB2 H 1.8710 0.05 2 259 25 25 ARG HB3 H 1.6560 0.05 2 260 25 25 ARG HD2 H 2.8900 0.05 2 261 25 25 ARG HD3 H 2.8900 0.05 2 262 25 25 ARG HG2 H 1.5900 0.05 2 263 25 25 ARG HG3 H 1.5900 0.05 2 264 25 25 ARG C C 175.2210 0.04 1 265 25 25 ARG CA C 55.9500 0.5 1 266 25 25 ARG CB C 29.9130 0.5 1 267 25 25 ARG CD C 43.6280 0.5 1 268 25 25 ARG CG C 27.7120 0.5 1 269 25 25 ARG N N 118.6250 0.1 1 270 26 26 GLU H H 8.6358 0.006 1 271 26 26 GLU HA H 4.3552 0.05 1 272 26 26 GLU HB2 H 2.1320 0.05 2 273 26 26 GLU HB3 H 2.1320 0.05 2 274 26 26 GLU HG2 H 2.3850 0.05 2 275 26 26 GLU HG3 H 2.3850 0.05 2 276 26 26 GLU CA C 55.2990 0.5 1 277 26 26 GLU CB C 28.9670 0.5 1 278 26 26 GLU CG C 36.3600 0.5 1 279 26 26 GLU N N 122.4771 0.1 1 280 27 27 PRO HA H 4.2790 0.05 1 281 27 27 PRO HB2 H 2.2740 0.05 2 282 27 27 PRO HB3 H 1.8770 0.05 2 283 27 27 PRO HD2 H 3.7260 0.05 2 284 27 27 PRO HD3 H 3.6390 0.05 2 285 27 27 PRO HG2 H 1.9190 0.05 2 286 27 27 PRO HG3 H 1.9190 0.05 2 287 27 27 PRO C C 176.3980 0.04 1 288 27 27 PRO CA C 64.2990 0.5 1 289 27 27 PRO CB C 31.9800 0.5 1 290 27 27 PRO CD C 50.9510 0.5 1 291 27 27 PRO CG C 27.8370 0.5 1 292 28 28 ASP H H 8.5438 0.006 1 293 28 28 ASP HA H 4.4610 0.05 1 294 28 28 ASP HB2 H 2.7970 0.05 2 295 28 28 ASP HB3 H 2.7970 0.05 2 296 28 28 ASP C C 175.6060 0.04 1 297 28 28 ASP CA C 54.8100 0.5 1 298 28 28 ASP CB C 39.5320 0.5 1 299 28 28 ASP N N 115.4512 0.1 1 300 29 29 THR H H 7.4946 0.006 1 301 29 29 THR HA H 4.7410 0.05 1 302 29 29 THR HB H 4.2290 0.05 1 303 29 29 THR HG2 H 1.2660 0.05 1 304 29 29 THR CA C 59.6560 0.5 1 305 29 29 THR CB C 70.4610 0.5 1 306 29 29 THR CG2 C 22.0730 0.5 1 307 29 29 THR N N 111.8918 0.1 1 308 30 30 PRO HA H 4.4100 0.05 1 309 30 30 PRO HB2 H 2.3330 0.05 2 310 30 30 PRO HB3 H 1.8180 0.05 2 311 30 30 PRO HD2 H 3.8790 0.05 2 312 30 30 PRO HD3 H 3.6680 0.05 2 313 30 30 PRO HG2 H 2.0020 0.05 2 314 30 30 PRO HG3 H 2.0020 0.05 2 315 30 30 PRO C C 176.7500 0.04 1 316 30 30 PRO CA C 62.8900 0.5 1 317 30 30 PRO CB C 31.9610 0.5 1 318 30 30 PRO CD C 51.0010 0.5 1 319 30 30 PRO CG C 27.8630 0.5 1 320 31 31 GLU H H 8.8180 0.006 1 321 31 31 GLU HA H 4.4004 0.05 1 322 31 31 GLU HB2 H 2.1600 0.05 2 323 31 31 GLU HB3 H 2.1600 0.05 2 324 31 31 GLU HG2 H 2.3600 0.05 2 325 31 31 GLU HG3 H 2.3600 0.05 2 326 31 31 GLU CA C 55.0550 0.5 1 327 31 31 GLU CB C 29.7030 0.5 1 328 31 31 GLU CG C 33.9920 0.5 1 329 31 31 GLU N N 124.0993 0.1 1 330 34 34 PRO HA H 4.6650 0.05 1 331 34 34 PRO HB2 H 2.0410 0.05 2 332 34 34 PRO HB3 H 1.8020 0.05 2 333 34 34 PRO HD2 H 3.6350 0.05 2 334 34 34 PRO HD3 H 3.6350 0.05 2 335 34 34 PRO HG2 H 2.0470 0.05 2 336 34 34 PRO HG3 H 2.0470 0.05 2 337 34 34 PRO C C 178.5030 0.04 1 338 34 34 PRO CA C 62.5223 0.5 1 339 34 34 PRO CB C 31.9750 0.5 1 340 34 34 PRO CD C 51.0700 0.5 1 341 34 34 PRO CG C 27.6920 0.5 1 342 35 35 THR H H 8.3825 0.006 1 343 35 35 THR HA H 4.1974 0.05 1 344 35 35 THR HB H 4.4810 0.05 1 345 35 35 THR HG2 H 1.3090 0.05 1 346 35 35 THR C C 173.6870 0.04 1 347 35 35 THR CA C 62.6180 0.5 1 348 35 35 THR CB C 70.7400 0.5 1 349 35 35 THR CG2 C 22.2320 0.5 1 350 35 35 THR N N 110.9868 0.1 1 351 36 36 SER H H 7.3126 0.006 1 352 36 36 SER HA H 4.6030 0.05 1 353 36 36 SER HB2 H 3.9300 0.05 2 354 36 36 SER HB3 H 3.9300 0.05 2 355 36 36 SER C C 174.8720 0.04 1 356 36 36 SER CA C 57.8510 0.5 1 357 36 36 SER CB C 66.1050 0.5 1 358 36 36 SER N N 112.5239 0.1 1 359 37 37 VAL H H 8.7928 0.006 1 360 37 37 VAL HA H 3.8670 0.05 1 361 37 37 VAL HB H 2.1820 0.05 1 362 37 37 VAL HG1 H 1.1295 0.05 2 363 37 37 VAL HG2 H 1.1295 0.05 2 364 37 37 VAL C C 178.9810 0.04 1 365 37 37 VAL CA C 66.5210 0.5 1 366 37 37 VAL CB C 31.5900 0.5 1 367 37 37 VAL CG1 C 21.5450 0.5 2 368 37 37 VAL CG2 C 21.5450 0.5 2 369 37 37 VAL N N 121.9759 0.1 1 370 38 38 GLU H H 9.6196 0.006 1 371 38 38 GLU HA H 4.3680 0.05 1 372 38 38 GLU C C 177.2140 0.04 1 373 38 38 GLU CA C 59.9160 0.5 1 374 38 38 GLU CB C 26.6360 0.5 1 375 38 38 GLU N N 119.8163 0.1 1 376 39 39 ALA H H 8.3028 0.006 1 377 39 39 ALA HA H 3.7290 0.05 1 378 39 39 ALA HB H 1.3910 0.05 1 379 39 39 ALA C C 180.1020 0.04 1 380 39 39 ALA CA C 55.2690 0.5 1 381 39 39 ALA CB C 18.3670 0.5 1 382 39 39 ALA N N 124.1037 0.1 1 383 40 40 ALA H H 7.6746 0.006 1 384 40 40 ALA HA H 3.8110 0.05 1 385 40 40 ALA HB H 1.5550 0.05 1 386 40 40 ALA C C 180.6330 0.04 1 387 40 40 ALA CA C 55.2300 0.5 1 388 40 40 ALA CB C 18.4970 0.5 1 389 40 40 ALA N N 122.0115 0.1 1 390 41 41 LEU H H 8.5162 0.006 1 391 41 41 LEU HA H 4.1820 0.05 1 392 41 41 LEU HB2 H 1.8145 0.05 2 393 41 41 LEU HB3 H 1.5910 0.05 2 394 41 41 LEU HD1 H 0.9000 0.05 2 395 41 41 LEU HD2 H 0.8100 0.05 2 396 41 41 LEU HG H 1.5910 0.05 1 397 41 41 LEU C C 179.1530 0.04 1 398 41 41 LEU CA C 57.5140 0.5 1 399 41 41 LEU CB C 42.8240 0.5 1 400 41 41 LEU CD1 C 25.1200 0.5 2 401 41 41 LEU CD2 C 25.8100 0.5 2 402 41 41 LEU CG C 27.0020 0.5 1 403 41 41 LEU N N 120.5339 0.1 1 404 42 42 LEU H H 8.7270 0.006 1 405 42 42 LEU HA H 4.0310 0.05 1 406 42 42 LEU HB2 H 1.5420 0.05 2 407 42 42 LEU HB3 H 1.5420 0.05 2 408 42 42 LEU HD1 H 0.6000 0.05 2 409 42 42 LEU HD2 H 0.2730 0.05 2 410 42 42 LEU HG H 1.6590 0.05 1 411 42 42 LEU C C 179.9450 0.04 1 412 42 42 LEU CA C 58.0030 0.5 1 413 42 42 LEU CB C 41.5670 0.5 1 414 42 42 LEU CD1 C 24.0930 0.5 2 415 42 42 LEU CD2 C 26.9620 0.5 2 416 42 42 LEU CG C 27.2230 0.5 1 417 42 42 LEU N N 118.1024 0.1 1 418 43 43 ARG H H 7.3810 0.006 1 419 43 43 ARG HA H 3.9310 0.05 1 420 43 43 ARG HB2 H 1.8320 0.05 2 421 43 43 ARG HB3 H 1.8320 0.05 2 422 43 43 ARG HD2 H 3.1870 0.05 2 423 43 43 ARG HD3 H 3.1870 0.05 2 424 43 43 ARG HG2 H 1.6300 0.05 2 425 43 43 ARG HG3 H 1.6300 0.05 2 426 43 43 ARG C C 177.3940 0.04 1 427 43 43 ARG CA C 60.9400 0.5 1 428 43 43 ARG CB C 29.8850 0.5 1 429 43 43 ARG CD C 43.3350 0.5 1 430 43 43 ARG CG C 26.8040 0.5 1 431 43 43 ARG N N 117.6705 0.1 1 432 44 44 SER H H 7.2861 0.006 1 433 44 44 SER HA H 4.3120 0.05 1 434 44 44 SER HB2 H 4.0400 0.05 2 435 44 44 SER HB3 H 4.0400 0.05 2 436 44 44 SER C C 177.5730 0.04 1 437 44 44 SER CA C 61.6240 0.5 1 438 44 44 SER CB C 63.0770 0.5 1 439 44 44 SER N N 113.3850 0.1 1 440 45 45 VAL H H 8.6722 0.006 1 441 45 45 VAL HA H 3.9250 0.05 1 442 45 45 VAL HB H 1.7890 0.05 1 443 45 45 VAL HG1 H 0.6810 0.05 2 444 45 45 VAL HG2 H 0.5610 0.05 2 445 45 45 VAL C C 179.1100 0.04 1 446 45 45 VAL CA C 65.9260 0.5 1 447 45 45 VAL CB C 32.2970 0.5 1 448 45 45 VAL CG1 C 21.5490 0.5 2 449 45 45 VAL CG2 C 21.1130 0.5 2 450 45 45 VAL N N 120.1784 0.1 1 451 46 46 THR H H 8.0368 0.006 1 452 46 46 THR HA H 3.9170 0.05 1 453 46 46 THR HB H 4.1410 0.05 1 454 46 46 THR HG2 H 1.2030 0.05 1 455 46 46 THR C C 176.9930 0.04 1 456 46 46 THR CA C 66.0150 0.5 1 457 46 46 THR CB C 69.9710 0.5 1 458 46 46 THR CG2 C 22.1720 0.5 1 459 46 46 THR N N 109.0789 0.1 1 460 47 47 ARG H H 7.4717 0.006 1 461 47 47 ARG HA H 4.3230 0.05 1 462 47 47 ARG HB3 H 2.0890 0.05 2 463 47 47 ARG HD2 H 3.3480 0.05 2 464 47 47 ARG HD3 H 3.3480 0.05 2 465 47 47 ARG HG2 H 1.8780 0.05 2 466 47 47 ARG HG3 H 2.1570 0.05 2 467 47 47 ARG C C 178.6860 0.04 1 468 47 47 ARG CA C 59.8510 0.5 1 469 47 47 ARG CB C 29.7650 0.5 1 470 47 47 ARG CD C 43.5200 0.5 1 471 47 47 ARG CG C 27.4210 0.5 1 472 47 47 ARG N N 123.0247 0.1 1 473 48 48 GLN H H 7.3856 0.006 1 474 48 48 GLN HA H 4.1790 0.05 1 475 48 48 GLN HB2 H 2.2700 0.05 2 476 48 48 GLN HB3 H 2.2700 0.05 2 477 48 48 GLN HG2 H 2.5230 0.05 2 478 48 48 GLN HG3 H 2.4260 0.05 2 479 48 48 GLN C C 178.5040 0.04 1 480 48 48 GLN CA C 59.1850 0.5 1 481 48 48 GLN CB C 28.3080 0.5 1 482 48 48 GLN CG C 33.6900 0.5 1 483 48 48 GLN N N 118.0871 0.1 1 484 48 48 GLN NE2 N 111.3160 0.1 1 485 49 49 ILE H H 7.7896 0.006 1 486 49 49 ILE HA H 4.0610 0.05 1 487 49 49 ILE HB H 2.0390 0.05 1 488 49 49 ILE HD1 H 0.9100 0.05 1 489 49 49 ILE HG12 H 1.7080 0.05 2 490 49 49 ILE HG13 H 1.6180 0.05 2 491 49 49 ILE HG2 H 1.1270 0.05 1 492 49 49 ILE C C 178.7250 0.04 1 493 49 49 ILE CA C 64.3100 0.5 1 494 49 49 ILE CB C 37.6390 0.5 1 495 49 49 ILE CD1 C 13.2100 0.5 1 496 49 49 ILE CG1 C 28.6530 0.5 1 497 49 49 ILE CG2 C 19.3320 0.5 1 498 49 49 ILE N N 119.5536 0.1 1 499 50 50 GLN H H 8.6348 0.006 1 500 50 50 GLN HA H 3.9680 0.05 1 501 50 50 GLN HB2 H 2.4290 0.05 2 502 50 50 GLN HB3 H 2.1010 0.05 2 503 50 50 GLN HG2 H 2.6180 0.05 2 504 50 50 GLN HG3 H 2.0760 0.05 2 505 50 50 GLN C C 177.9170 0.04 1 506 50 50 GLN CA C 59.5870 0.5 1 507 50 50 GLN CB C 27.7320 0.5 1 508 50 50 GLN CG C 34.5210 0.5 1 509 50 50 GLN N N 119.5549 0.1 1 510 51 51 GLN H H 7.6837 0.006 1 511 51 51 GLN HA H 4.1760 0.05 1 512 51 51 GLN HB2 H 2.3030 0.05 2 513 51 51 GLN HB3 H 2.2420 0.05 2 514 51 51 GLN HG2 H 2.4830 0.05 2 515 51 51 GLN HG3 H 2.5780 0.05 2 516 51 51 GLN C C 177.6330 0.04 1 517 51 51 GLN CA C 58.6590 0.5 1 518 51 51 GLN CB C 28.6430 0.5 1 519 51 51 GLN CG C 34.3160 0.5 1 520 51 51 GLN N N 116.2990 0.1 1 521 52 52 GLU H H 7.9514 0.006 1 522 52 52 GLU HA H 4.1270 0.05 1 523 52 52 GLU HB2 H 1.9990 0.05 2 524 52 52 GLU HB3 H 1.8050 0.05 2 525 52 52 GLU HG2 H 2.3980 0.05 2 526 52 52 GLU HG3 H 2.3980 0.05 2 527 52 52 GLU C C 177.4880 0.04 1 528 52 52 GLU CA C 58.2900 0.5 1 529 52 52 GLU CB C 30.4840 0.5 1 530 52 52 GLU CG C 36.2390 0.5 1 531 52 52 GLU N N 117.7718 0.1 1 532 53 53 HIS H H 7.8779 0.006 1 533 53 53 HIS HA H 5.0580 0.05 1 534 53 53 HIS HB2 H 2.4450 0.05 2 535 53 53 HIS HB3 H 2.9920 0.05 2 536 53 53 HIS HD2 H 7.4180 0.05 1 537 53 53 HIS C C 174.6450 0.04 1 538 53 53 HIS CA C 54.7880 0.5 1 539 53 53 HIS CB C 28.0750 0.5 1 540 53 53 HIS CD2 C 120.5280 0.5 1 541 53 53 HIS N N 115.3895 0.1 1 542 54 54 GLN H H 7.5190 0.006 1 543 54 54 GLN HA H 4.1770 0.05 1 544 54 54 GLN HB2 H 2.4120 0.05 2 545 54 54 GLN HB3 H 2.2070 0.05 2 546 54 54 GLN HG2 H 2.5080 0.05 2 547 54 54 GLN HG3 H 2.5080 0.05 2 548 54 54 GLN C C 178.2260 0.04 1 549 54 54 GLN CA C 60.2240 0.5 1 550 54 54 GLN CB C 28.9100 0.5 1 551 54 54 GLN CG C 33.8260 0.5 1 552 54 54 GLN N N 121.0125 0.1 1 553 55 55 GLU H H 9.0745 0.006 1 554 55 55 GLU HA H 4.2040 0.05 1 555 55 55 GLU HB2 H 2.1300 0.05 2 556 55 55 GLU HB3 H 2.1300 0.05 2 557 55 55 GLU HG2 H 2.4450 0.05 2 558 55 55 GLU HG3 H 2.3580 0.05 2 559 55 55 GLU C C 178.7620 0.04 1 560 55 55 GLU CA C 59.9940 0.5 1 561 55 55 GLU CB C 28.5690 0.5 1 562 55 55 GLU CG C 36.5680 0.5 1 563 55 55 GLU N N 119.9066 0.1 1 564 56 56 PHE H H 8.0690 0.006 1 565 56 56 PHE HA H 4.6130 0.05 1 566 56 56 PHE HB2 H 3.4620 0.05 2 567 56 56 PHE HB3 H 2.9920 0.05 2 568 56 56 PHE HD1 H 7.1100 0.05 3 569 56 56 PHE HD2 H 7.1100 0.05 3 570 56 56 PHE HE1 H 7.2476 0.05 3 571 56 56 PHE HE2 H 7.2476 0.05 3 572 56 56 PHE HZ H 7.0200 0.05 1 573 56 56 PHE C C 177.7670 0.04 1 574 56 56 PHE CA C 60.0280 0.5 1 575 56 56 PHE CB C 39.3850 0.5 1 576 56 56 PHE CD1 C 131.9450 0.5 3 577 56 56 PHE CD2 C 131.9450 0.5 3 578 56 56 PHE CE1 C 131.1960 0.5 3 579 56 56 PHE CE2 C 131.1960 0.5 3 580 56 56 PHE CZ C 129.5170 0.5 1 581 56 56 PHE N N 121.6975 0.1 1 582 57 57 PHE H H 8.3783 0.006 1 583 57 57 PHE HA H 4.3910 0.05 1 584 57 57 PHE HB2 H 3.4810 0.05 2 585 57 57 PHE HB3 H 3.4430 0.05 2 586 57 57 PHE HD1 H 7.4200 0.05 3 587 57 57 PHE HD2 H 7.4200 0.05 3 588 57 57 PHE HE1 H 7.2846 0.05 3 589 57 57 PHE HE2 H 7.2846 0.05 3 590 57 57 PHE HZ H 7.4100 0.05 1 591 57 57 PHE C C 178.1420 0.04 1 592 57 57 PHE CA C 59.0590 0.5 1 593 57 57 PHE CB C 37.6400 0.5 1 594 57 57 PHE CD1 C 131.8500 0.5 3 595 57 57 PHE CD2 C 131.8500 0.5 3 596 57 57 PHE CE1 C 131.1260 0.5 3 597 57 57 PHE CE2 C 131.1260 0.5 3 598 57 57 PHE CZ C 129.9370 0.5 1 599 57 57 PHE N N 116.8810 0.1 1 600 58 58 SER H H 8.6123 0.006 1 601 58 58 SER HA H 4.3800 0.05 1 602 58 58 SER HB2 H 4.0560 0.05 2 603 58 58 SER HB3 H 4.0560 0.05 2 604 58 58 SER C C 176.9410 0.04 1 605 58 58 SER CA C 61.8460 0.5 1 606 58 58 SER CB C 63.3260 0.5 1 607 58 58 SER N N 114.5908 0.1 1 608 59 59 SER H H 8.0854 0.006 1 609 59 59 SER HA H 4.3190 0.05 1 610 59 59 SER HB2 H 3.9400 0.05 2 611 59 59 SER HB3 H 3.9400 0.05 2 612 59 59 SER C C 176.1610 0.04 1 613 59 59 SER CA C 61.3270 0.5 1 614 59 59 SER CB C 63.2480 0.5 1 615 59 59 SER N N 117.1220 0.1 1 616 60 60 PHE H H 7.9091 0.006 1 617 60 60 PHE HA H 4.3190 0.05 1 618 60 60 PHE HB2 H 3.0590 0.05 2 619 60 60 PHE HB3 H 2.8730 0.05 2 620 60 60 PHE HD1 H 7.1178 0.05 3 621 60 60 PHE HD2 H 7.1178 0.05 3 622 60 60 PHE HZ H 7.0400 0.05 1 623 60 60 PHE C C 176.8080 0.04 1 624 60 60 PHE CA C 60.1660 0.5 1 625 60 60 PHE CB C 39.6960 0.5 1 626 60 60 PHE CD1 C 131.9250 0.5 3 627 60 60 PHE CD2 C 131.9250 0.5 3 628 60 60 PHE CZ C 129.5600 0.5 1 629 60 60 PHE N N 121.6228 0.1 1 630 61 61 CYS H H 7.7170 0.006 1 631 61 61 CYS HA H 4.3600 0.05 1 632 61 61 CYS HB2 H 3.0800 0.05 2 633 61 61 CYS HB3 H 3.0020 0.05 2 634 61 61 CYS C C 174.8320 0.04 1 635 61 61 CYS CA C 60.6010 0.5 1 636 61 61 CYS CB C 27.5810 0.5 1 637 61 61 CYS N N 115.4153 0.1 1 638 62 62 GLU H H 7.7868 0.006 1 639 62 62 GLU HA H 4.2410 0.05 1 640 62 62 GLU HB2 H 2.1500 0.05 2 641 62 62 GLU HB3 H 2.0330 0.05 2 642 62 62 GLU HG2 H 2.4300 0.05 2 643 62 62 GLU HG3 H 2.3390 0.05 2 644 62 62 GLU C C 176.6450 0.04 1 645 62 62 GLU CA C 57.4530 0.5 1 646 62 62 GLU CB C 29.4090 0.5 1 647 62 62 GLU CG C 36.1650 0.5 1 648 62 62 GLU N N 119.8671 0.1 1 649 63 63 SER H H 7.9125 0.006 1 650 63 63 SER HA H 4.3240 0.05 1 651 63 63 SER HB2 H 3.9030 0.05 2 652 63 63 SER HB3 H 3.9030 0.05 2 653 63 63 SER C C 174.4200 0.04 1 654 63 63 SER CA C 59.1280 0.5 1 655 63 63 SER CB C 63.8590 0.5 1 656 63 63 SER N N 114.9118 0.1 1 657 64 64 ARG H H 8.1739 0.006 1 658 64 64 ARG HA H 4.3230 0.05 1 659 64 64 ARG HB2 H 1.9190 0.05 2 660 64 64 ARG HB3 H 1.8030 0.05 2 661 64 64 ARG HD2 H 3.1860 0.05 2 662 64 64 ARG HD3 H 3.1860 0.05 2 663 64 64 ARG HG2 H 1.6760 0.05 2 664 64 64 ARG HG3 H 1.3950 0.05 2 665 64 64 ARG C C 176.2740 0.04 1 666 64 64 ARG CA C 56.4530 0.5 1 667 64 64 ARG CB C 30.2780 0.5 1 668 64 64 ARG CD C 43.5370 0.5 1 669 64 64 ARG CG C 27.5900 0.5 1 670 64 64 ARG N N 120.6933 0.1 1 671 65 65 GLY H H 8.0788 0.006 1 672 65 65 GLY HA2 H 3.8710 0.05 2 673 65 65 GLY HA3 H 3.8710 0.05 2 674 65 65 GLY C C 173.2000 0.04 1 675 65 65 GLY CA C 45.2000 0.5 1 676 65 65 GLY N N 107.7533 0.1 1 677 66 66 ASN H H 8.2514 0.006 1 678 66 66 ASN HA H 4.6950 0.05 1 679 66 66 ASN HB2 H 2.9250 0.05 2 680 66 66 ASN HB3 H 2.9250 0.05 2 681 66 66 ASN HD21 H 7.6060 0.05 2 682 66 66 ASN HD22 H 6.9063 0.05 2 683 66 66 ASN C C 175.461 0.04 1 684 66 66 ASN CA C 52.8930 0.5 1 685 66 66 ASN CB C 38.6930 0.5 1 686 66 66 ASN N N 118.7899 0.1 1 687 66 66 ASN ND2 N 112.7890 0.1 1 688 67 67 ARG H H 8.6883 0.006 1 689 67 67 ARG HA H 3.8676 0.05 1 690 67 67 ARG HB2 H 1.4740 0.05 2 691 67 67 ARG HB3 H 1.4740 0.05 2 692 67 67 ARG C C 177.5090 0.04 1 693 67 67 ARG CA C 61.2470 0.5 1 694 67 67 ARG CB C 30.7280 0.5 1 695 67 67 ARG CD C 43.3600 0.5 1 696 67 67 ARG CG C 26.5900 0.5 1 697 67 67 ARG N N 121.0786 0.1 1 698 68 68 LEU H H 8.2829 0.006 1 699 68 68 LEU HA H 3.8020 0.05 1 700 68 68 LEU HB2 H 1.8400 0.05 2 701 68 68 LEU HB3 H 1.8400 0.05 2 702 68 68 LEU HD1 H 0.9340 0.05 2 703 68 68 LEU HD2 H 0.6890 0.05 2 704 68 68 LEU HG H 1.3450 0.05 1 705 68 68 LEU C C 178.1840 0.04 1 706 68 68 LEU CA C 58.1410 0.5 1 707 68 68 LEU CB C 40.9440 0.5 1 708 68 68 LEU CD1 C 25.8850 0.5 2 709 68 68 LEU CD2 C 23.2230 0.5 2 710 68 68 LEU CG C 27.3930 0.5 1 711 68 68 LEU N N 118.2144 0.1 1 712 69 69 GLU H H 7.8159 0.006 1 713 69 69 GLU HA H 3.7930 0.05 1 714 69 69 GLU HB2 H 2.0240 0.05 2 715 69 69 GLU HB3 H 2.0240 0.05 2 716 69 69 GLU HG2 H 2.2930 0.05 2 717 69 69 GLU HG3 H 2.2930 0.05 2 718 69 69 GLU C C 179.3260 0.04 1 719 69 69 GLU CA C 59.1960 0.5 1 720 69 69 GLU CB C 29.0260 0.5 1 721 69 69 GLU CG C 36.4120 0.5 1 722 69 69 GLU N N 117.7672 0.1 1 723 70 70 LEU H H 7.9419 0.006 1 724 70 70 LEU HA H 4.1873 0.05 1 725 70 70 LEU HB2 H 1.5015 0.05 2 726 70 70 LEU HB3 H 2.1088 0.05 2 727 70 70 LEU HD1 H 0.9740 0.05 2 728 70 70 LEU HD2 H 0.9740 0.05 2 729 70 70 LEU HG H 1.8559 0.05 1 730 70 70 LEU C C 179.8010 0.04 1 731 70 70 LEU CA C 58.3100 0.5 1 732 70 70 LEU CB C 42.5260 0.5 1 733 70 70 LEU CD1 C 23.1040 0.5 2 734 70 70 LEU CD2 C 23.1040 0.5 2 735 70 70 LEU CG C 26.7510 0.5 1 736 70 70 LEU N N 118.6857 0.1 1 737 71 71 VAL H H 7.9811 0.006 1 738 71 71 VAL HA H 3.6170 0.05 1 739 71 71 VAL HB H 2.1550 0.05 1 740 71 71 VAL HG1 H 1.0580 0.05 2 741 71 71 VAL HG2 H 1.0580 0.05 2 742 71 71 VAL C C 177.1810 0.04 1 743 71 71 VAL CA C 68.0670 0.5 1 744 71 71 VAL CB C 31.5220 0.5 1 745 71 71 VAL CG1 C 22.2100 0.5 2 746 71 71 VAL CG2 C 22.2100 0.5 2 747 71 71 VAL N N 120.0750 0.1 1 748 72 72 LYS H H 8.2650 0.006 1 749 72 72 LYS HA H 3.7200 0.05 1 750 72 72 LYS HB2 H 1.7080 0.05 2 751 72 72 LYS HB3 H 1.5610 0.05 2 752 72 72 LYS HD2 H 1.4590 0.05 2 753 72 72 LYS HD3 H 1.4590 0.05 2 754 72 72 LYS HE2 H 2.8290 0.05 2 755 72 72 LYS HE3 H 2.6780 0.05 2 756 72 72 LYS HG2 H 1.0990 0.05 2 757 72 72 LYS HG3 H 0.5210 0.05 2 758 72 72 LYS C C 179.2480 0.04 1 759 72 72 LYS CA C 60.3350 0.5 1 760 72 72 LYS CB C 31.9870 0.5 1 761 72 72 LYS CD C 29.6870 0.5 1 762 72 72 LYS CE C 41.8000 0.5 1 763 72 72 LYS CG C 24.6200 0.5 1 764 72 72 LYS N N 120.8146 0.1 1 765 73 73 GLN H H 8.2155 0.006 1 766 73 73 GLN HA H 4.1690 0.05 1 767 73 73 GLN HB2 H 2.2500 0.05 2 768 73 73 GLN HB3 H 2.2500 0.05 2 769 73 73 GLN HG2 H 2.4290 0.05 2 770 73 73 GLN HG3 H 2.6820 0.05 2 771 73 73 GLN C C 179.6780 0.04 1 772 73 73 GLN CA C 58.9820 0.5 1 773 73 73 GLN CB C 28.5970 0.5 1 774 73 73 GLN CG C 34.4540 0.5 1 775 73 73 GLN N N 118.2120 0.1 1 776 74 74 MET H H 8.2803 0.006 1 777 74 74 MET HA H 4.2440 0.05 1 778 74 74 MET HB2 H 1.7960 0.05 2 779 74 74 MET HB3 H 1.7960 0.05 2 780 74 74 MET HE H 1.8400 0.05 1 781 74 74 MET HG2 H 2.3271 0.05 2 782 74 74 MET HG3 H 2.3271 0.05 2 783 74 74 MET C C 178.3020 0.04 1 784 74 74 MET CA C 56.6530 0.5 1 785 74 74 MET CB C 31.0560 0.5 1 786 74 74 MET CE C 15.4830 0.5 1 787 74 74 MET CG C 31.6030 0.5 1 788 74 74 MET N N 120.2812 0.1 1 789 75 75 ALA H H 8.9202 0.006 1 790 75 75 ALA HA H 3.8810 0.05 1 791 75 75 ALA HB H 1.7020 0.05 1 792 75 75 ALA C C 179.1850 0.04 1 793 75 75 ALA CA C 56.0170 0.5 1 794 75 75 ALA CB C 18.3470 0.5 1 795 75 75 ALA N N 123.5391 0.1 1 796 76 76 ASP H H 7.8832 0.006 1 797 76 76 ASP HA H 4.4700 0.05 1 798 76 76 ASP HB2 H 2.8380 0.05 2 799 76 76 ASP HB3 H 2.7340 0.05 2 800 76 76 ASP C C 177.5820 0.04 1 801 76 76 ASP CA C 56.8870 0.5 1 802 76 76 ASP CB C 40.8110 0.5 1 803 76 76 ASP N N 117.2243 0.1 1 804 77 77 LYS H H 7.4211 0.006 1 805 77 77 LYS HA H 4.2070 0.05 1 806 77 77 LYS HB2 H 2.0020 0.05 2 807 77 77 LYS HB3 H 2.0020 0.05 2 808 77 77 LYS HD2 H 1.6070 0.05 2 809 77 77 LYS HD3 H 1.6070 0.05 2 810 77 77 LYS HE2 H 2.9849 0.05 2 811 77 77 LYS HE3 H 2.9849 0.05 2 812 77 77 LYS HG2 H 1.4600 0.05 2 813 77 77 LYS HG3 H 1.4600 0.05 2 814 77 77 LYS C C 178.4410 0.04 1 815 77 77 LYS CA C 58.2110 0.5 1 816 77 77 LYS CB C 33.0750 0.5 1 817 77 77 LYS CD C 29.0090 0.5 1 818 77 77 LYS CE C 42.2410 0.5 1 819 77 77 LYS CG C 24.9770 0.5 1 820 77 77 LYS N N 117.6593 0.1 1 821 78 78 LEU H H 8.1852 0.006 1 822 78 78 LEU HA H 4.3480 0.05 1 823 78 78 LEU HB2 H 1.6050 0.05 2 824 78 78 LEU HB3 H 1.3650 0.05 2 825 78 78 LEU HD1 H 0.8590 0.05 2 826 78 78 LEU HD2 H 0.8590 0.05 2 827 78 78 LEU HG H 1.7700 0.05 1 828 78 78 LEU C C 176.5930 0.04 1 829 78 78 LEU CA C 56.5760 0.5 1 830 78 78 LEU CB C 44.1380 0.5 1 831 78 78 LEU CD1 C 22.3830 0.5 2 832 78 78 LEU CD2 C 22.3830 0.5 2 833 78 78 LEU CG C 26.9630 0.5 1 834 78 78 LEU N N 116.1052 0.1 1 835 79 79 LEU H H 8.2196 0.006 1 836 79 79 LEU HA H 4.6130 0.05 1 837 79 79 LEU HB2 H 1.7140 0.05 2 838 79 79 LEU HB3 H 1.4160 0.05 2 839 79 79 LEU HD1 H 0.1360 0.05 2 840 79 79 LEU HD2 H 0.3710 0.05 2 841 79 79 LEU HG H 1.2770 0.05 1 842 79 79 LEU C C 176.8470 0.04 1 843 79 79 LEU CA C 54.2820 0.5 1 844 79 79 LEU CB C 42.4460 0.5 1 845 79 79 LEU CD1 C 24.0230 0.5 2 846 79 79 LEU CD2 C 24.5430 0.5 2 847 79 79 LEU CG C 29.0720 0.5 1 848 79 79 LEU N N 120.4332 0.1 1 849 80 80 SER H H 7.7858 0.006 1 850 80 80 SER HA H 4.4480 0.05 1 851 80 80 SER HB2 H 4.0410 0.05 2 852 80 80 SER HB3 H 3.9470 0.05 2 853 80 80 SER C C 176.3280 0.04 1 854 80 80 SER CA C 59.1200 0.5 1 855 80 80 SER CB C 63.9620 0.5 1 856 80 80 SER N N 114.9317 0.1 1 857 81 81 LYS H H 8.5280 0.006 1 858 81 81 LYS HA H 4.1770 0.05 1 859 81 81 LYS HB2 H 1.8610 0.05 2 860 81 81 LYS HB3 H 1.8610 0.05 2 861 81 81 LYS HD2 H 1.6580 0.05 2 862 81 81 LYS HD3 H 1.6580 0.05 2 863 81 81 LYS HE2 H 2.9760 0.05 2 864 81 81 LYS HE3 H 2.9760 0.05 2 865 81 81 LYS HG2 H 1.4720 0.05 2 866 81 81 LYS HG3 H 1.4720 0.05 2 867 81 81 LYS C C 176.2680 0.04 1 868 81 81 LYS CA C 58.1980 0.5 1 869 81 81 LYS CB C 32.4180 0.5 1 870 81 81 LYS CD C 29.4650 0.5 1 871 81 81 LYS CE C 42.4240 0.5 1 872 81 81 LYS CG C 24.8850 0.5 1 873 81 81 LYS N N 122.6469 0.1 1 874 82 82 ASP H H 8.1785 0.006 1 875 82 82 ASP HA H 4.6300 0.05 1 876 82 82 ASP HB2 H 2.7280 0.05 2 877 82 82 ASP HB3 H 2.5610 0.05 2 878 82 82 ASP C C 175.1780 0.04 1 879 82 82 ASP CA C 54.4100 0.5 1 880 82 82 ASP CB C 41.6170 0.5 1 881 82 82 ASP N N 117.6388 0.1 1 882 83 83 GLN H H 7.6418 0.006 1 883 83 83 GLN HA H 4.4350 0.05 1 884 83 83 GLN HB2 H 2.1020 0.05 2 885 83 83 GLN HB3 H 1.8780 0.05 2 886 83 83 GLN HE21 H 7.4962 0.05 2 887 83 83 GLN HE22 H 6.7937 0.05 2 888 83 83 GLN HG2 H 2.3600 0.05 2 889 83 83 GLN HG3 H 2.3600 0.05 2 890 83 83 GLN C C 175.4390 0.04 1 891 83 83 GLN CA C 55.0650 0.5 1 892 83 83 GLN CB C 31.1360 0.5 1 893 83 83 GLN CG C 33.6900 0.5 1 894 83 83 GLN N N 117.0872 0.1 1 895 83 83 GLN NE2 N 112.1180 0.1 1 896 84 84 ASP H H 8.4517 0.006 1 897 84 84 ASP HA H 4.6930 0.05 1 898 84 84 ASP HB2 H 2.3840 0.05 2 899 84 84 ASP HB3 H 2.1280 0.05 2 900 84 84 ASP C C 175.9290 0.04 1 901 84 84 ASP CA C 53.6030 0.5 1 902 84 84 ASP CB C 40.6570 0.5 1 903 84 84 ASP N N 121.8053 0.1 1 904 85 85 PHE H H 7.5530 0.006 1 905 85 85 PHE HA H 4.9090 0.05 1 906 85 85 PHE HB2 H 3.0550 0.05 2 907 85 85 PHE HB3 H 3.2240 0.05 2 908 85 85 PHE HD1 H 7.0600 0.05 3 909 85 85 PHE HD2 H 7.0600 0.05 3 910 85 85 PHE HE1 H 6.8300 0.05 3 911 85 85 PHE HE2 H 6.8300 0.05 3 912 85 85 PHE HZ H 6.6810 0.05 1 913 85 85 PHE C C 174.2890 0.04 1 914 85 85 PHE CA C 57.2840 0.5 1 915 85 85 PHE CB C 39.8130 0.5 1 916 85 85 PHE CD1 C 132.8560 0.5 3 917 85 85 PHE CD2 C 132.8560 0.5 3 918 85 85 PHE CE1 C 131.2300 0.5 3 919 85 85 PHE CE2 C 131.2300 0.5 3 920 85 85 PHE CZ C 128.5200 0.5 1 921 85 85 PHE N N 119.5083 0.1 1 922 86 86 SER H H 8.5856 0.006 1 923 86 86 SER HA H 4.6460 0.05 1 924 86 86 SER HB2 H 3.9160 0.05 2 925 86 86 SER HB3 H 4.2820 0.05 2 926 86 86 SER C C 176.060 0.04 1 927 86 86 SER CA C 55.2750 0.5 1 928 86 86 SER CB C 66.6580 0.5 1 929 86 86 SER N N 116.0827 0.1 1 930 87 87 TRP H H 8.6883 0.006 1 931 87 87 TRP HA H 4.8830 0.05 1 932 87 87 TRP HB2 H 3.4110 0.05 2 933 87 87 TRP HB3 H 3.4110 0.05 2 934 87 87 TRP HD1 H 7.0200 0.05 1 935 87 87 TRP HE1 H 10.4770 0.05 1 936 87 87 TRP HE3 H 7.7110 0.05 1 937 87 87 TRP HH2 H 6.2510 0.05 1 938 87 87 TRP HZ2 H 7.2650 0.05 1 939 87 87 TRP HZ3 H 6.4700 0.05 1 940 87 87 TRP C C 179.4510 0.04 1 941 87 87 TRP CA C 60.0120 0.5 1 942 87 87 TRP CB C 31.0220 0.5 1 943 87 87 TRP CE3 C 119.1800 0.5 1 944 87 87 TRP CH2 C 124.6000 0.5 1 945 87 87 TRP CZ2 C 116.6600 0.5 1 946 87 87 TRP CZ3 C 121.7600 0.5 1 947 87 87 TRP N N 121.0786 0.1 1 948 87 87 TRP NE1 N 127.5580 0.1 1 949 88 88 SER H H 8.4349 0.006 1 950 88 88 SER HA H 4.3228 0.05 1 951 88 88 SER HB2 H 4.0480 0.05 2 952 88 88 SER HB3 H 4.0480 0.05 2 953 88 88 SER C C 176.7630 0.04 1 954 88 88 SER CA C 62.5210 0.5 1 955 88 88 SER CB C 62.5210 0.5 1 956 88 88 SER N N 111.3971 0.1 1 957 89 89 GLN H H 7.6849 0.006 1 958 89 89 GLN HA H 4.0720 0.05 1 959 89 89 GLN HB2 H 2.0640 0.05 2 960 89 89 GLN HB3 H 2.0640 0.05 2 961 89 89 GLN HE21 H 7.5599 0.05 2 962 89 89 GLN HE22 H 6.8479 0.05 2 963 89 89 GLN HG2 H 2.4800 0.05 2 964 89 89 GLN HG3 H 2.4800 0.05 2 965 89 89 GLN C C 177.7020 0.04 1 966 89 89 GLN CA C 59.5850 0.5 1 967 89 89 GLN CB C 29.0680 0.5 1 968 89 89 GLN CG C 35.2020 0.5 1 969 89 89 GLN N N 121.4801 0.1 1 970 89 89 GLN NE2 N 111.4820 0.1 1 971 90 90 LEU H H 7.6444 0.006 1 972 90 90 LEU HA H 3.9240 0.05 1 973 90 90 LEU HB2 H 1.3300 0.05 2 974 90 90 LEU HB3 H 2.2440 0.05 2 975 90 90 LEU HD1 H 0.7600 0.05 2 976 90 90 LEU HD2 H 1.0850 0.05 2 977 90 90 LEU HG H 1.6140 0.05 1 978 90 90 LEU C C 179.0200 0.04 1 979 90 90 LEU CA C 58.3350 0.5 1 980 90 90 LEU CB C 41.4760 0.5 1 981 90 90 LEU CD1 C 24.1330 0.5 2 982 90 90 LEU CD2 C 26.1220 0.5 2 983 90 90 LEU CG C 27.7800 0.5 1 984 90 90 LEU N N 117.9479 0.1 1 985 91 91 VAL H H 9.0324 0.006 1 986 91 91 VAL HA H 3.7340 0.05 1 987 91 91 VAL HB H 2.2080 0.05 1 988 91 91 VAL HG1 H 1.2780 0.05 2 989 91 91 VAL HG2 H 1.0210 0.05 2 990 91 91 VAL C C 177.7590 0.04 1 991 91 91 VAL CA C 67.1140 0.5 1 992 91 91 VAL CB C 31.2350 0.5 1 993 91 91 VAL CG1 C 22.7230 0.5 2 994 91 91 VAL CG2 C 23.2400 0.5 2 995 91 91 VAL N N 114.7511 0.1 1 996 92 92 MET H H 8.0553 0.006 1 997 92 92 MET HA H 4.2580 0.05 1 998 92 92 MET HB2 H 2.3430 0.05 2 999 92 92 MET HB3 H 2.3430 0.05 2 1000 92 92 MET HE H 2.1799 0.05 1 1001 92 92 MET HG2 H 2.5410 0.05 2 1002 92 92 MET HG3 H 2.5410 0.05 2 1003 92 92 MET C C 177.3300 0.04 1 1004 92 92 MET CA C 59.9780 0.5 1 1005 92 92 MET CB C 32.0890 0.5 1 1006 92 92 MET CE C 15.1990 0.5 1 1007 92 92 MET CG C 32.9610 0.5 1 1008 92 92 MET N N 121.4482 0.1 1 1009 93 93 LEU H H 7.7316 0.006 1 1010 93 93 LEU HA H 3.9900 0.05 1 1011 93 93 LEU HB2 H 1.4245 0.05 2 1012 93 93 LEU HB3 H 1.4245 0.05 2 1013 93 93 LEU HD1 H 0.8350 0.05 2 1014 93 93 LEU HD2 H 0.8350 0.05 2 1015 93 93 LEU C C 178.3220 0.04 1 1016 93 93 LEU CA C 58.3450 0.5 1 1017 93 93 LEU CB C 41.2020 0.5 1 1018 93 93 LEU CD1 C 25.9090 0.5 2 1019 93 93 LEU CD2 C 24.4842 0.5 2 1020 93 93 LEU CG C 26.9690 0.5 1 1021 93 93 LEU N N 119.7320 0.1 1 1022 94 94 LEU H H 8.3213 0.006 1 1023 94 94 LEU HA H 4.0150 0.05 1 1024 94 94 LEU HB2 H 1.7690 0.05 2 1025 94 94 LEU HB3 H 1.1760 0.05 2 1026 94 94 LEU HD1 H 0.7720 0.05 2 1027 94 94 LEU HD2 H 0.7720 0.05 2 1028 94 94 LEU HG H 1.9390 0.05 1 1029 94 94 LEU C C 178.7000 0.04 1 1030 94 94 LEU CA C 58.5560 0.5 1 1031 94 94 LEU CB C 40.3290 0.5 1 1032 94 94 LEU CD1 C 25.4590 0.5 2 1033 94 94 LEU CD2 C 24.1420 0.5 2 1034 94 94 LEU CG C 27.1000 0.5 1 1035 94 94 LEU N N 117.2606 0.1 1 1036 95 95 ALA H H 9.1959 0.006 1 1037 95 95 ALA HA H 4.4200 0.05 1 1038 95 95 ALA HB H 1.7290 0.05 1 1039 95 95 ALA C C 180.1710 0.04 1 1040 95 95 ALA CA C 54.6690 0.5 1 1041 95 95 ALA CB C 18.9560 0.5 1 1042 95 95 ALA N N 121.9617 0.1 1 1043 96 96 PHE H H 8.4296 0.006 1 1044 96 96 PHE HA H 3.5690 0.05 1 1045 96 96 PHE HB2 H 3.0950 0.05 2 1046 96 96 PHE HB3 H 2.6840 0.05 2 1047 96 96 PHE HD1 H 6.4900 0.05 3 1048 96 96 PHE HD2 H 6.4900 0.05 3 1049 96 96 PHE HE1 H 6.9590 0.05 3 1050 96 96 PHE HE2 H 6.9590 0.05 3 1051 96 96 PHE HZ H 7.1700 0.05 1 1052 96 96 PHE C C 176.2590 0.04 1 1053 96 96 PHE CA C 61.2780 0.5 1 1054 96 96 PHE CB C 38.8100 0.5 1 1055 96 96 PHE CD1 C 131.5960 0.5 3 1056 96 96 PHE CD2 C 131.5960 0.5 3 1057 96 96 PHE CE1 C 131.3940 0.5 3 1058 96 96 PHE CE2 C 131.3940 0.5 3 1059 96 96 PHE CZ C 129.3170 0.5 1 1060 96 96 PHE N N 120.4073 0.1 1 1061 97 97 ALA H H 8.3023 0.006 1 1062 97 97 ALA HA H 3.5500 0.05 1 1063 97 97 ALA HB H 1.4460 0.05 1 1064 97 97 ALA CA C 55.1420 0.5 1 1065 97 97 ALA CB C 18.0180 0.5 1 1066 97 97 ALA N N 120.7903 0.1 1 1067 98 98 GLY H H 8.5055 0.006 1 1068 98 98 GLY HA2 H 3.5040 0.05 2 1069 98 98 GLY HA3 H 3.5040 0.05 2 1070 98 98 GLY C C 176.8540 0.04 1 1071 98 98 GLY CA C 48.5870 0.5 1 1072 98 98 GLY N N 101.33 0.1 1 1073 99 99 THR H H 7.9514 0.006 1 1074 99 99 THR HA H 3.9920 0.05 1 1075 99 99 THR HB H 4.2280 0.05 1 1076 99 99 THR HG2 H 1.2580 0.05 1 1077 99 99 THR C C 176.6920 0.04 1 1078 99 99 THR CA C 66.1270 0.5 1 1079 99 99 THR CB C 68.7780 0.5 1 1080 99 99 THR CG2 C 22.2030 0.5 1 1081 99 99 THR N N 117.7718 0.1 1 1082 100 100 LEU H H 7.2985 0.006 1 1083 100 100 LEU HA H 3.8930 0.05 1 1084 100 100 LEU HB2 H 1.5440 0.05 2 1085 100 100 LEU HB3 H 1.0700 0.05 2 1086 100 100 LEU HD1 H 0.5400 0.05 2 1087 100 100 LEU HD2 H 0.5400 0.05 2 1088 100 100 LEU HG H 1.1500 0.05 1 1089 100 100 LEU C C 178.5730 0.04 1 1090 100 100 LEU CA C 56.5810 0.5 1 1091 100 100 LEU CB C 41.7744 0.5 1 1092 100 100 LEU CD1 C 23.6130 0.5 2 1093 100 100 LEU CD2 C 23.6130 0.5 2 1094 100 100 LEU CG C 26.1130 0.5 1 1095 100 100 LEU N N 119.0661 0.1 1 1096 101 101 MET H H 7.1846 0.006 1 1097 101 101 MET HA H 4.4240 0.05 1 1098 101 101 MET HB2 H 1.7020 0.05 2 1099 101 101 MET HB3 H 1.7020 0.05 2 1100 101 101 MET HE H 1.9300 0.05 1 1101 101 101 MET HG2 H 2.4200 0.05 2 1102 101 101 MET HG3 H 2.4200 0.05 2 1103 101 101 MET C C 175.7600 0.04 1 1104 101 101 MET CA C 53.8130 0.5 1 1105 101 101 MET CB C 34.1720 0.5 1 1106 101 101 MET CE C 16.2830 0.5 1 1107 101 101 MET CG C 33.9820 0.5 1 1108 101 101 MET N N 113.4304 0.1 1 1109 102 102 ASN H H 7.2795 0.006 1 1110 102 102 ASN HA H 4.5570 0.05 1 1111 102 102 ASN HB2 H 2.8300 0.05 2 1112 102 102 ASN HB3 H 2.8300 0.05 2 1113 102 102 ASN HD21 H 6.8980 0.05 2 1114 102 102 ASN HD22 H 7.6470 0.05 2 1115 102 102 ASN C C 175.6230 0.04 1 1116 102 102 ASN CA C 54.2610 0.5 1 1117 102 102 ASN CB C 39.9020 0.5 1 1118 102 102 ASN N N 117.3545 0.1 1 1119 102 102 ASN ND2 N 112.3060 0.1 1 1120 103 103 GLN H H 8.5742 0.006 1 1121 103 103 GLN HA H 4.3750 0.05 1 1122 103 103 GLN HB2 H 2.2540 0.05 2 1123 103 103 GLN HB3 H 1.9480 0.05 2 1124 103 103 GLN HG2 H 2.3600 0.05 2 1125 103 103 GLN HG3 H 2.3600 0.05 2 1126 103 103 GLN C C 176.1300 0.04 1 1127 103 103 GLN CA C 55.7070 0.5 1 1128 103 103 GLN CB C 29.7880 0.5 1 1129 103 103 GLN CG C 34.3220 0.5 1 1130 103 103 GLN N N 121.5896 0.1 1 1131 104 104 GLY H H 8.1651 0.006 1 1132 104 104 GLY HA2 H 3.9280 0.05 2 1133 104 104 GLY HA3 H 3.9280 0.05 2 1134 104 104 GLY CA C 45.5500 0.5 1 1135 104 104 GLY N N 108.9472 0.1 1 1136 105 105 PRO HA H 4.3550 0.05 1 1137 105 105 PRO HB2 H 2.1760 0.05 2 1138 105 105 PRO HB3 H 1.7900 0.05 2 1139 105 105 PRO HD2 H 3.5450 0.05 2 1140 105 105 PRO HD3 H 3.5450 0.05 2 1141 105 105 PRO HG2 H 1.9350 0.05 2 1142 105 105 PRO HG3 H 1.9350 0.05 2 1143 105 105 PRO C C 177.0370 0.04 1 1144 105 105 PRO CA C 63.7120 0.5 1 1145 105 105 PRO CB C 32.2810 0.5 1 1146 105 105 PRO CD C 50.2430 0.5 1 1147 105 105 PRO CG C 27.2880 0.5 1 1148 106 106 TYR H H 8.0188 0.006 1 1149 106 106 TYR HA H 4.4970 0.05 1 1150 106 106 TYR HB2 H 3.0920 0.05 2 1151 106 106 TYR HB3 H 2.9900 0.05 2 1152 106 106 TYR HD1 H 7.0900 0.05 3 1153 106 106 TYR HD2 H 7.0900 0.05 3 1154 106 106 TYR HE1 H 6.8300 0.05 3 1155 106 106 TYR HE2 H 6.8300 0.05 3 1156 106 106 TYR C C 175.9860 0.04 1 1157 106 106 TYR CA C 58.2480 0.5 1 1158 106 106 TYR CB C 38.1930 0.5 1 1159 106 106 TYR CD1 C 133.0970 0.5 3 1160 106 106 TYR CD2 C 133.0970 0.5 3 1161 106 106 TYR CE1 C 118.3470 0.5 3 1162 106 106 TYR CE2 C 118.3470 0.5 3 1163 106 106 TYR N N 118.6611 0.1 1 1164 107 107 MET H H 7.9292 0.006 1 1165 107 107 MET HA H 4.4080 0.05 1 1166 107 107 MET HB2 H 2.0360 0.05 2 1167 107 107 MET HB3 H 2.0360 0.05 2 1168 107 107 MET HE H 2.0800 0.05 1 1169 107 107 MET HG2 H 2.5250 0.05 2 1170 107 107 MET HG3 H 2.4340 0.05 2 1171 107 107 MET C C 175.5040 0.04 1 1172 107 107 MET CA C 55.7630 0.5 1 1173 107 107 MET CB C 32.9030 0.5 1 1174 107 107 MET CE C 16.0730 0.5 1 1175 107 107 MET CG C 32.4890 0.5 1 1176 107 107 MET N N 120.3468 0.1 1 1177 108 108 ALA H H 8.1693 0.006 1 1178 108 108 ALA HA H 4.2830 0.05 1 1179 108 108 ALA HB H 1.4050 0.05 1 1180 108 108 ALA C C 177.9220 0.04 1 1181 108 108 ALA CA C 52.9860 0.5 1 1182 108 108 ALA CB C 18.9840 0.5 1 1183 108 108 ALA N N 124.1542 0.1 1 1184 109 109 VAL H H 7.8113 0.006 1 1185 109 109 VAL HA H 4.0670 0.05 1 1186 109 109 VAL HB H 2.1170 0.05 1 1187 109 109 VAL HG1 H 0.9390 0.05 2 1188 109 109 VAL HG2 H 0.9390 0.05 2 1189 109 109 VAL C C 176.4520 0.04 1 1190 109 109 VAL CA C 62.8930 0.5 1 1191 109 109 VAL CB C 32.5640 0.5 1 1192 109 109 VAL CG1 C 20.9700 0.5 2 1193 109 109 VAL CG2 C 20.9700 0.5 2 1194 109 109 VAL N N 117.3342 0.1 1 1195 110 110 LYS H H 8.2639 0.006 1 1196 110 110 LYS HA H 4.2300 0.05 1 1197 110 110 LYS HB2 H 1.8310 0.05 2 1198 110 110 LYS HB3 H 1.7880 0.05 2 1199 110 110 LYS HD2 H 1.6810 0.05 2 1200 110 110 LYS HD3 H 1.6810 0.05 2 1201 110 110 LYS HE2 H 2.9900 0.05 2 1202 110 110 LYS HE3 H 2.9900 0.05 2 1203 110 110 LYS HG2 H 1.4530 0.05 2 1204 110 110 LYS HG3 H 1.4120 0.05 2 1205 110 110 LYS C C 176.6900 0.04 1 1206 110 110 LYS CA C 57.1460 0.5 1 1207 110 110 LYS CB C 32.9340 0.5 1 1208 110 110 LYS CD C 29.2750 0.5 1 1209 110 110 LYS CE C 42.4310 0.5 1 1210 110 110 LYS CG C 25.0930 0.5 1 1211 110 110 LYS N N 122.9456 0.1 1 1212 111 111 GLN H H 8.0950 0.006 1 1213 111 111 GLN HA H 4.3440 0.05 1 1214 111 111 GLN HB2 H 2.0210 0.05 2 1215 111 111 GLN HB3 H 2.0070 0.05 2 1216 111 111 GLN HG2 H 2.3620 0.05 2 1217 111 111 GLN HG3 H 2.3620 0.05 2 1218 111 111 GLN C C 175.8640 0.04 1 1219 111 111 GLN CA C 56.0620 0.5 1 1220 111 111 GLN CB C 29.4770 0.5 1 1221 111 111 GLN CG C 34.0560 0.5 1 1222 111 111 GLN N N 119.3556 0.1 1 1223 112 112 LYS H H 8.2089 0.006 1 1224 112 112 LYS HA H 4.2970 0.05 1 1225 112 112 LYS HB2 H 1.8110 0.05 2 1226 112 112 LYS HB3 H 1.8110 0.05 2 1227 112 112 LYS HD2 H 1.7150 0.05 2 1228 112 112 LYS HD3 H 1.7150 0.05 2 1229 112 112 LYS HE2 H 3.0210 0.05 2 1230 112 112 LYS HE3 H 3.0210 0.05 2 1231 112 112 LYS HG2 H 1.4630 0.05 2 1232 112 112 LYS HG3 H 1.4630 0.05 2 1233 112 112 LYS C C 176.7510 0.04 1 1234 112 112 LYS CA C 56.9740 0.5 1 1235 112 112 LYS CB C 32.8220 0.5 1 1236 112 112 LYS CD C 29.4840 0.5 1 1237 112 112 LYS CE C 43.4740 0.5 1 1238 112 112 LYS CG C 25.0600 0.5 1 1239 112 112 LYS N N 121.5433 0.1 1 1240 113 113 ARG H H 8.3108 0.006 1 1241 113 113 ARG HA H 4.3000 0.05 1 1242 113 113 ARG HB2 H 1.8230 0.05 2 1243 113 113 ARG HB3 H 1.8230 0.05 2 1244 113 113 ARG HD2 H 3.1800 0.05 2 1245 113 113 ARG HD3 H 3.1800 0.05 2 1246 113 113 ARG HG2 H 1.6360 0.05 2 1247 113 113 ARG HG3 H 1.6360 0.05 2 1248 113 113 ARG C C 176.0150 0.04 1 1249 113 113 ARG CA C 56.5970 0.5 1 1250 113 113 ARG CB C 30.7660 0.5 1 1251 113 113 ARG CD C 43.5790 0.5 1 1252 113 113 ARG CG C 27.4300 0.5 1 1253 113 113 ARG N N 121.2937 0.1 1 1254 114 114 ASP H H 8.3007 0.006 1 1255 114 114 ASP HA H 4.6370 0.05 1 1256 114 114 ASP HB2 H 2.7410 0.05 2 1257 114 114 ASP HB3 H 2.7410 0.05 2 1258 114 114 ASP C C 176.6610 0.04 1 1259 114 114 ASP CA C 54.3550 0.5 1 1260 114 114 ASP CB C 41.1900 0.5 1 1261 114 114 ASP N N 121.2232 0.1 1 1262 115 115 LEU H H 8.2673 0.006 1 1263 115 115 LEU HA H 4.2300 0.05 1 1264 115 115 LEU HB2 H 1.7080 0.05 2 1265 115 115 LEU HB3 H 1.7080 0.05 2 1266 115 115 LEU HD1 H 0.9310 0.05 2 1267 115 115 LEU HD2 H 0.8760 0.05 2 1268 115 115 LEU HG H 1.6800 0.05 1 1269 115 115 LEU C C 178.3540 0.04 1 1270 115 115 LEU CA C 56.5810 0.5 1 1271 115 115 LEU CB C 42.0100 0.5 1 1272 115 115 LEU CD1 C 23.4320 0.5 2 1273 115 115 LEU CD2 C 23.6640 0.5 2 1274 115 115 LEU CG C 27.2650 0.5 1 1275 115 115 LEU N N 122.9136 0.1 1 1276 116 116 GLY H H 8.4519 0.006 1 1277 116 116 GLY HA2 H 3.9430 0.05 2 1278 116 116 GLY HA3 H 3.9430 0.05 2 1279 116 116 GLY C C 174.9250 0.04 1 1280 116 116 GLY CA C 46.0150 0.5 1 1281 116 116 GLY N N 107.7177 0.1 1 1282 117 117 ASN H H 7.9621 0.006 1 1283 117 117 ASN HA H 4.6650 0.05 1 1284 117 117 ASN HB2 H 2.9010 0.05 2 1285 117 117 ASN HB3 H 2.9010 0.05 2 1286 117 117 ASN HD21 H 7.7828 0.05 2 1287 117 117 ASN HD22 H 6.9628 0.05 2 1288 117 117 ASN C C 176.5220 0.04 1 1289 117 117 ASN CA C 54.3560 0.5 1 1290 117 117 ASN CB C 39.0360 0.5 1 1291 117 117 ASN N N 118.9684 0.1 1 1292 117 117 ASN ND2 N 113.1930 0.1 1 1293 118 118 ARG H H 8.4853 0.006 1 1294 118 118 ARG HA H 4.0970 0.05 1 1295 118 118 ARG HB2 H 1.9955 0.05 2 1296 118 118 ARG HB3 H 1.9955 0.05 2 1297 118 118 ARG HD2 H 3.2390 0.05 2 1298 118 118 ARG HD3 H 3.2390 0.05 2 1299 118 118 ARG HG2 H 1.8040 0.05 2 1300 118 118 ARG HG3 H 1.8040 0.05 2 1301 118 118 ARG C C 178.2920 0.04 1 1302 118 118 ARG CA C 58.2600 0.5 1 1303 118 118 ARG CB C 29.3290 0.5 1 1304 118 118 ARG CD C 42.8840 0.5 1 1305 118 118 ARG CG C 27.5900 0.5 1 1306 118 118 ARG N N 121.2481 0.1 1 1307 119 119 VAL H H 7.9811 0.006 1 1308 119 119 VAL HA H 3.8090 0.05 1 1309 119 119 VAL HB H 2.1673 0.05 1 1310 119 119 VAL HG1 H 1.0740 0.05 2 1311 119 119 VAL HG2 H 0.9710 0.05 2 1312 119 119 VAL C C 178.1290 0.04 1 1313 119 119 VAL CA C 66.1290 0.5 1 1314 119 119 VAL CB C 31.5220 0.5 1 1315 119 119 VAL CG1 C 22.2110 0.5 2 1316 119 119 VAL CG2 C 21.0420 0.5 2 1317 119 119 VAL N N 120.0757 0.1 1 1318 120 120 ILE H H 7.4305 0.006 1 1319 120 120 ILE HA H 3.7980 0.05 1 1320 120 120 ILE HB H 2.0720 0.05 1 1321 120 120 ILE HD1 H 0.8670 0.05 1 1322 120 120 ILE HG12 H 1.5960 0.05 2 1323 120 120 ILE HG13 H 1.2880 0.05 2 1324 120 120 ILE HG2 H 0.9250 0.05 1 1325 120 120 ILE C C 177.6780 0.04 1 1326 120 120 ILE CA C 63.7340 0.5 1 1327 120 120 ILE CB C 37.3290 0.5 1 1328 120 120 ILE CD1 C 12.1200 0.5 1 1329 120 120 ILE CG1 C 28.6610 0.5 1 1330 120 120 ILE CG2 C 17.9990 0.5 1 1331 120 120 ILE N N 121.0524 0.1 1 1332 121 121 VAL H H 7.9917 0.006 1 1333 121 121 VAL HA H 3.6080 0.05 1 1334 121 121 VAL HB H 2.1800 0.05 1 1335 121 121 VAL HG1 H 1.0820 0.05 2 1336 121 121 VAL HG2 H 1.0820 0.05 2 1337 121 121 VAL C C 178.3300 0.04 1 1338 121 121 VAL CA C 66.9690 0.5 1 1339 121 121 VAL CB C 32.0020 0.5 1 1340 121 121 VAL CG1 C 22.5370 0.5 2 1341 121 121 VAL CG2 C 22.5370 0.5 2 1342 121 121 VAL N N 120.4816 0.1 1 1343 122 122 THR H H 8.2956 0.006 1 1344 122 122 THR HA H 3.8490 0.05 1 1345 122 122 THR HB H 4.3210 0.05 1 1346 122 122 THR HG2 H 1.3820 0.05 1 1347 122 122 THR C C 176.1980 0.04 1 1348 122 122 THR CA C 67.8190 0.5 1 1349 122 122 THR CB C 68.7570 0.5 1 1350 122 122 THR CG2 C 22.0810 0.5 1 1351 122 122 THR N N 115.8489 0.1 1 1352 123 123 ARG H H 7.9378 0.006 1 1353 123 123 ARG HA H 4.0920 0.05 1 1354 123 123 ARG HB2 H 2.0450 0.05 2 1355 123 123 ARG HB3 H 2.0450 0.05 2 1356 123 123 ARG HG2 H 1.5600 0.05 2 1357 123 123 ARG HG3 H 1.5600 0.05 2 1358 123 123 ARG C C 178.7130 0.04 1 1359 123 123 ARG CA C 59.9050 0.5 1 1360 123 123 ARG CB C 29.7590 0.5 1 1361 123 123 ARG CD C 43.8210 0.5 1 1362 123 123 ARG CG C 27.4630 0.5 1 1363 123 123 ARG N N 122.9288 0.1 1 1364 124 124 ASP H H 8.5162 0.006 1 1365 124 124 ASP HA H 4.5230 0.05 1 1366 124 124 ASP HB2 H 2.8550 0.05 2 1367 124 124 ASP HB3 H 2.3740 0.05 2 1368 124 124 ASP C C 178.7660 0.04 1 1369 124 124 ASP CA C 57.9150 0.5 1 1370 124 124 ASP CB C 39.8390 0.5 1 1371 124 124 ASP N N 120.5339 0.1 1 1372 125 125 CYS H H 8.4906 0.006 1 1373 125 125 CYS HA H 3.6570 0.05 1 1374 125 125 CYS HB2 H 2.9610 0.05 2 1375 125 125 CYS HB3 H 2.9610 0.05 2 1376 125 125 CYS C C 176.5190 0.04 1 1377 125 125 CYS CA C 64.7430 0.5 1 1378 125 125 CYS CB C 27.2680 0.5 1 1379 125 125 CYS N N 117.9677 0.1 1 1380 126 126 CYS H H 7.8475 0.006 1 1381 126 126 CYS HA H 4.1150 0.05 1 1382 126 126 CYS HB2 H 3.2201 0.05 2 1383 126 126 CYS HB3 H 3.0137 0.05 2 1384 126 126 CYS C C 177.5650 0.04 1 1385 126 126 CYS CA C 63.5680 0.5 1 1386 126 126 CYS CB C 26.6880 0.5 1 1387 126 126 CYS N N 117.0007 0.1 1 1388 127 127 LEU H H 8.3829 0.006 1 1389 127 127 LEU HA H 4.1550 0.05 1 1390 127 127 LEU HB2 H 1.5620 0.05 2 1391 127 127 LEU HB3 H 2.1110 0.05 2 1392 127 127 LEU HD1 H 0.9550 0.05 2 1393 127 127 LEU HD2 H 0.9550 0.05 2 1394 127 127 LEU C C 180.5580 0.04 1 1395 127 127 LEU CA C 58.3730 0.5 1 1396 127 127 LEU CB C 42.7450 0.5 1 1397 127 127 LEU CD1 C 22.9150 0.5 2 1398 127 127 LEU CD2 C 22.9150 0.5 2 1399 127 127 LEU CG C 26.9220 0.5 1 1400 127 127 LEU N N 119.3972 0.1 1 1401 128 128 ILE H H 8.5901 0.006 1 1402 128 128 ILE HA H 3.7500 0.05 1 1403 128 128 ILE HB H 2.0198 0.05 1 1404 128 128 ILE HD1 H 0.7200 0.05 1 1405 128 128 ILE HG2 H 0.9300 0.05 1 1406 128 128 ILE C C 177.8050 0.04 1 1407 128 128 ILE CA C 66.1780 0.5 1 1408 128 128 ILE CB C 37.6850 0.5 1 1409 128 128 ILE CD1 C 13.8400 0.5 1 1410 128 128 ILE CG2 C 17.6830 0.5 1 1411 128 128 ILE N N 120.9399 0.1 1 1412 129 129 VAL H H 8.6416 0.006 1 1413 129 129 VAL HA H 4.1404 0.05 1 1414 129 129 VAL HG1 H 1.0210 0.05 2 1415 129 129 VAL HG2 H 1.2760 0.05 2 1416 129 129 VAL C C 177.3690 0.04 1 1417 129 129 VAL CA C 68.3840 0.5 1 1418 129 129 VAL CB C 31.5930 0.5 1 1419 129 129 VAL CG1 C 23.3300 0.5 2 1420 129 129 VAL CG2 C 22.9080 0.5 2 1421 129 129 VAL N N 120.9903 0.1 1 1422 130 130 ASN H H 8.1668 0.006 1 1423 130 130 ASN HA H 4.4650 0.05 1 1424 130 130 ASN HB2 H 2.9500 0.05 2 1425 130 130 ASN HB3 H 2.9500 0.05 2 1426 130 130 ASN HD21 H 7.6516 0.05 2 1427 130 130 ASN HD22 H 6.9668 0.05 2 1428 130 130 ASN C C 177.4250 0.04 1 1429 130 130 ASN CA C 56.9050 0.5 1 1430 130 130 ASN CB C 38.4340 0.5 1 1431 130 130 ASN N N 116.0249 0.1 1 1432 130 130 ASN ND2 N 112.3320 0.1 1 1433 131 131 PHE H H 8.3133 0.006 1 1434 131 131 PHE HA H 4.3420 0.05 1 1435 131 131 PHE HB2 H 3.0140 0.05 2 1436 131 131 PHE HB3 H 3.4360 0.05 2 1437 131 131 PHE HD1 H 6.9700 0.05 3 1438 131 131 PHE HD2 H 6.9700 0.05 3 1439 131 131 PHE HE1 H 7.1900 0.05 3 1440 131 131 PHE HE2 H 7.1900 0.05 3 1441 131 131 PHE HZ H 7.1700 0.05 1 1442 131 131 PHE C C 177.3250 0.04 1 1443 131 131 PHE CA C 61.8000 0.5 1 1444 131 131 PHE CB C 39.8750 0.5 1 1445 131 131 PHE CD1 C 132.4370 0.5 3 1446 131 131 PHE CD2 C 132.4370 0.5 3 1447 131 131 PHE CE1 C 131.9270 0.5 3 1448 131 131 PHE CE2 C 131.9270 0.5 3 1449 131 131 PHE CZ C 128.8370 0.5 1 1450 131 131 PHE N N 120.0394 0.1 1 1451 132 132 LEU H H 8.5991 0.006 1 1452 132 132 LEU HA H 3.6270 0.05 1 1453 132 132 LEU HB2 H 2.0990 0.05 2 1454 132 132 LEU HB3 H 1.1690 0.05 2 1455 132 132 LEU HD1 H 0.8220 0.05 2 1456 132 132 LEU HD2 H 0.8220 0.05 2 1457 132 132 LEU C C 177.5560 0.04 1 1458 132 132 LEU CA C 57.7530 0.5 1 1459 132 132 LEU CB C 43.0430 0.5 1 1460 132 132 LEU CD1 C 22.5330 0.5 2 1461 132 132 LEU CD2 C 22.5330 0.5 2 1462 132 132 LEU N N 119.1443 0.1 1 1463 133 133 TYR H H 8.9289 0.006 1 1464 133 133 TYR HA H 3.7680 0.05 1 1465 133 133 TYR HB2 H 2.9300 0.05 2 1466 133 133 TYR HB3 H 2.9300 0.05 2 1467 133 133 TYR HD1 H 6.8900 0.05 3 1468 133 133 TYR HD2 H 6.8900 0.05 3 1469 133 133 TYR HE1 H 7.1500 0.05 3 1470 133 133 TYR HE2 H 7.1500 0.05 3 1471 133 133 TYR C C 175.7060 0.04 1 1472 133 133 TYR CA C 62.2350 0.5 1 1473 133 133 TYR CB C 38.9730 0.5 1 1474 133 133 TYR CD1 C 132.5260 0.5 3 1475 133 133 TYR CD2 C 132.5260 0.5 3 1476 133 133 TYR CE1 C 118.6770 0.5 3 1477 133 133 TYR CE2 C 118.6770 0.5 3 1478 133 133 TYR N N 120.4618 0.1 1 1479 134 134 ASN H H 8.1551 0.006 1 1480 134 134 ASN HA H 4.0120 0.05 1 1481 134 134 ASN HB2 H 2.8590 0.05 2 1482 134 134 ASN HB3 H 2.6180 0.05 2 1483 134 134 ASN HD21 H 6.9438 0.05 2 1484 134 134 ASN HD22 H 7.4814 0.05 2 1485 134 134 ASN C C 177.9230 0.04 1 1486 134 134 ASN CA C 56.1110 0.5 1 1487 134 134 ASN CB C 38.2430 0.5 1 1488 134 134 ASN N N 116.5166 0.1 1 1489 134 134 ASN ND2 N 112.9940 0.1 1 1490 135 135 LEU H H 7.9786 0.006 1 1491 135 135 LEU HA H 3.9380 0.05 1 1492 135 135 LEU HB2 H 0.8640 0.05 2 1493 135 135 LEU HB3 H 0.8640 0.05 2 1494 135 135 LEU HD1 H 0.9100 0.05 2 1495 135 135 LEU HD2 H 0.9100 0.05 2 1496 135 135 LEU C C 179.3660 0.04 1 1497 135 135 LEU CA C 57.8650 0.5 1 1498 135 135 LEU CB C 42.4950 0.5 1 1499 135 135 LEU CD1 C 23.7000 0.5 2 1500 135 135 LEU CD2 C 23.7010 0.5 2 1501 135 135 LEU CG C 27.3270 0.5 1 1502 135 135 LEU N N 121.3188 0.1 1 1503 136 136 LEU H H 7.8515 0.006 1 1504 136 136 LEU HA H 3.8760 0.05 1 1505 136 136 LEU HB2 H 1.3370 0.05 2 1506 136 136 LEU HB3 H 1.3370 0.05 2 1507 136 136 LEU HD1 H 0.9040 0.05 2 1508 136 136 LEU HD2 H 0.5990 0.05 2 1509 136 136 LEU HG H 1.7900 0.05 1 1510 136 136 LEU C C 175.1650 0.04 1 1511 136 136 LEU CA C 57.4130 0.5 1 1512 136 136 LEU CB C 42.2040 0.5 1 1513 136 136 LEU CD1 C 25.1930 0.5 2 1514 136 136 LEU CD2 C 22.6390 0.5 2 1515 136 136 LEU CG C 27.5120 0.5 1 1516 136 136 LEU N N 117.4403 0.1 1 1517 137 137 MET H H 7.5046 0.006 1 1518 137 137 MET HA H 4.5300 0.05 1 1519 137 137 MET HB2 H 1.6841 0.05 2 1520 137 137 MET HB3 H 1.8635 0.05 2 1521 137 137 MET HE H 2.2500 0.05 1 1522 137 137 MET HG2 H 2.6300 0.05 2 1523 137 137 MET HG3 H 2.6300 0.05 2 1524 137 137 MET C C 178.0780 0.04 1 1525 137 137 MET CA C 53.5000 0.5 1 1526 137 137 MET CB C 33.7820 0.5 1 1527 137 137 MET CE C 17.2830 0.5 1 1528 137 137 MET N N 108.0069 0.1 1 1529 138 138 GLY H H 7.3776 0.006 1 1530 138 138 GLY HA2 H 4.1010 0.05 2 1531 138 138 GLY HA3 H 4.1010 0.05 2 1532 138 138 GLY C C 173.6510 0.04 1 1533 138 138 GLY CA C 45.3210 0.5 1 1534 138 138 GLY N N 109.2008 0.1 1 1535 139 139 ARG H H 8.2870 0.006 1 1536 139 139 ARG HA H 3.8820 0.05 1 1537 139 139 ARG HB2 H 1.8750 0.05 2 1538 139 139 ARG HB3 H 1.8750 0.05 2 1539 139 139 ARG HD2 H 3.2510 0.05 2 1540 139 139 ARG HD3 H 3.2510 0.05 2 1541 139 139 ARG HG2 H 1.7100 0.05 2 1542 139 139 ARG HG3 H 1.7100 0.05 2 1543 139 139 ARG C C 178.5840 0.04 1 1544 139 139 ARG CA C 60.7610 0.5 1 1545 139 139 ARG CB C 30.3140 0.5 1 1546 139 139 ARG CD C 43.4760 0.5 1 1547 139 139 ARG CG C 27.1200 0.5 1 1548 139 139 ARG N N 119.2796 0.1 1 1549 140 140 ARG H H 8.3497 0.006 1 1550 140 140 ARG HA H 4.0510 0.05 1 1551 140 140 ARG HB2 H 1.6820 0.05 2 1552 140 140 ARG HB3 H 1.6820 0.05 2 1553 140 140 ARG HD2 H 3.1910 0.05 2 1554 140 140 ARG HD3 H 3.1910 0.05 2 1555 140 140 ARG HG2 H 1.5240 0.05 2 1556 140 140 ARG HG3 H 1.5240 0.05 2 1557 140 140 ARG C C 178.9510 0.04 1 1558 140 140 ARG CA C 59.1380 0.5 1 1559 140 140 ARG CB C 29.8470 0.5 1 1560 140 140 ARG CD C 43.1980 0.5 1 1561 140 140 ARG CG C 27.9070 0.5 1 1562 140 140 ARG N N 117.9350 0.1 1 1563 141 141 HIS H H 7.9006 0.006 1 1564 141 141 HIS HA H 4.8890 0.05 1 1565 141 141 HIS HB2 H 3.3720 0.05 2 1566 141 141 HIS HB3 H 3.1810 0.05 2 1567 141 141 HIS HD2 H 7.3880 0.05 1 1568 141 141 HIS C C 177.3160 0.04 1 1569 141 141 HIS CA C 58.3200 0.5 1 1570 141 141 HIS CB C 30.5200 0.5 1 1571 141 141 HIS CD2 C 119.9000 0.5 1 1572 141 141 HIS N N 119.5923 0.1 1 1573 142 142 ARG H H 9.0543 0.006 1 1574 142 142 ARG HA H 4.0480 0.05 1 1575 142 142 ARG HB2 H 2.0130 0.05 2 1576 142 142 ARG HB3 H 1.7280 0.05 2 1577 142 142 ARG HD2 H 3.3700 0.05 2 1578 142 142 ARG HD3 H 3.3700 0.05 2 1579 142 142 ARG HG2 H 1.6200 0.05 2 1580 142 142 ARG HG3 H 1.6200 0.05 2 1581 142 142 ARG C C 178.6780 0.04 1 1582 142 142 ARG CA C 60.4950 0.5 1 1583 142 142 ARG CB C 29.4570 0.5 1 1584 142 142 ARG CD C 43.9540 0.5 1 1585 142 142 ARG CG C 27.4930 0.5 1 1586 142 142 ARG N N 123.3917 0.1 1 1587 143 143 ALA H H 7.5529 0.006 1 1588 143 143 ALA HA H 4.1700 0.05 1 1589 143 143 ALA HB H 1.4570 0.05 1 1590 143 143 ALA C C 180.8670 0.04 1 1591 143 143 ALA CA C 54.6390 0.5 1 1592 143 143 ALA CB C 17.8340 0.5 1 1593 143 143 ALA N N 119.5083 0.1 1 1594 144 144 ARG H H 7.5787 0.006 1 1595 144 144 ARG HA H 3.9070 0.05 1 1596 144 144 ARG HB2 H 1.7290 0.05 2 1597 144 144 ARG HB3 H 1.9800 0.05 2 1598 144 144 ARG C C 176.9300 0.04 1 1599 144 144 ARG CA C 57.3430 0.5 1 1600 144 144 ARG CB C 29.2590 0.5 1 1601 144 144 ARG CD C 43.2070 0.5 1 1602 144 144 ARG N N 120.7277 0.1 1 1603 145 145 LEU H H 8.4296 0.006 1 1604 145 145 LEU HA H 3.5680 0.05 1 1605 145 145 LEU HB2 H 1.6900 0.05 2 1606 145 145 LEU HB3 H 1.6900 0.05 2 1607 145 145 LEU HD1 H 0.9700 0.05 2 1608 145 145 LEU HD2 H 0.7620 0.05 2 1609 145 145 LEU HG H 1.6530 0.05 1 1610 145 145 LEU C C 179.8250 0.04 1 1611 145 145 LEU CA C 58.3060 0.5 1 1612 145 145 LEU CB C 42.4860 0.5 1 1613 145 145 LEU CD1 C 24.4160 0.5 2 1614 145 145 LEU CD2 C 24.4160 0.5 2 1615 145 145 LEU CG C 27.1410 0.5 1 1616 145 145 LEU N N 120.4073 0.1 1 1617 146 146 GLU H H 8.3213 0.006 1 1618 146 146 GLU HA H 3.8630 0.05 1 1619 146 146 GLU HB2 H 2.0310 0.05 2 1620 146 146 GLU HB3 H 2.0310 0.05 2 1621 146 146 GLU HG2 H 2.4640 0.05 2 1622 146 146 GLU HG3 H 2.1630 0.05 2 1623 146 146 GLU C C 180.8040 0.04 1 1624 146 146 GLU CA C 60.2730 0.5 1 1625 146 146 GLU CB C 29.3960 0.5 1 1626 146 146 GLU CG C 37.4860 0.5 1 1627 146 146 GLU N N 117.2606 0.1 1 1628 147 147 ALA H H 8.2527 0.006 1 1629 147 147 ALA HA H 4.1230 0.05 1 1630 147 147 ALA HB H 1.4740 0.05 1 1631 147 147 ALA C C 180.1160 0.04 1 1632 147 147 ALA CA C 55.0610 0.5 1 1633 147 147 ALA CB C 18.0140 0.5 1 1634 147 147 ALA N N 125.9313 0.1 1 1635 148 148 LEU H H 7.6440 0.006 1 1636 148 148 LEU HA H 4.1170 0.05 1 1637 148 148 LEU HB2 H 1.3740 0.05 2 1638 148 148 LEU HB3 H 1.3740 0.05 2 1639 148 148 LEU HD1 H 0.3100 0.05 2 1640 148 148 LEU HD2 H -0.7600 0.05 2 1641 148 148 LEU HG H 1.0100 0.05 1 1642 148 148 LEU C C 177.0450 0.04 1 1643 148 148 LEU CA C 55.1650 0.5 1 1644 148 148 LEU CB C 42.1040 0.5 1 1645 148 148 LEU CD1 C 21.3130 0.5 2 1646 148 148 LEU CD2 C 23.9900 0.5 2 1647 148 148 LEU CG C 26.0130 0.5 1 1648 148 148 LEU N N 117.3914 0.1 1 1649 149 149 GLY H H 8.0022 0.006 1 1650 149 149 GLY HA2 H 4.3740 0.05 2 1651 149 149 GLY HA3 H 4.3740 0.05 2 1652 149 149 GLY C C 176.8090 0.04 1 1653 149 149 GLY CA C 45.0590 0.5 1 1654 149 149 GLY N N 106.4608 0.1 1 1655 150 150 GLY H H 8.9210 0.006 1 1656 150 150 GLY HA2 H 3.0000 0.05 2 1657 150 150 GLY HA3 H 4.1150 0.05 2 1658 150 150 GLY C C 173.1970 0.04 1 1659 150 150 GLY CA C 44.6760 0.5 1 1660 150 150 GLY N N 111.0172 0.1 1 1661 151 151 TRP H H 8.3577 0.006 1 1662 151 151 TRP HA H 4.7004 0.05 1 1663 151 151 TRP HB2 H 3.1610 0.05 2 1664 151 151 TRP HB3 H 3.1610 0.05 2 1665 151 151 TRP HD1 H 5.6600 0.05 1 1666 151 151 TRP HE1 H 10.1140 0.05 1 1667 151 151 TRP HE3 H 7.7130 0.05 1 1668 151 151 TRP HH2 H 6.2450 0.05 1 1669 151 151 TRP HZ2 H 7.2520 0.05 1 1670 151 151 TRP HZ3 H 6.4750 0.05 1 1671 151 151 TRP C C 179.1300 0.04 1 1672 151 151 TRP CA C 58.1400 0.5 1 1673 151 151 TRP CB C 28.4490 0.5 1 1674 151 151 TRP CD1 C 127.6400 0.5 1 1675 151 151 TRP CE3 C 119.0800 0.5 1 1676 151 151 TRP CH2 C 124.8300 0.5 1 1677 151 151 TRP CZ3 C 121.3400 0.5 1 1678 151 151 TRP N N 121.7068 0.1 1 1679 151 151 TRP NE1 N 128.4150 0.1 1 1680 152 152 ASP H H 8.8307 0.006 1 1681 152 152 ASP HA H 4.7620 0.05 1 1682 152 152 ASP HB2 H 2.8570 0.05 2 1683 152 152 ASP HB3 H 2.8570 0.05 2 1684 152 152 ASP C C 179.0020 0.04 1 1685 152 152 ASP CA C 58.3710 0.5 1 1686 152 152 ASP CB C 40.1430 0.5 1 1687 152 152 ASP N N 120.6828 0.1 1 1688 153 153 GLY H H 7.7667 0.006 1 1689 153 153 GLY HA2 H 4.3280 0.05 2 1690 153 153 GLY HA3 H 3.9290 0.05 2 1691 153 153 GLY C C 176.3960 0.04 1 1692 153 153 GLY CA C 47.1910 0.5 1 1693 153 153 GLY N N 111.1254 0.1 1 1694 154 154 PHE H H 7.8664 0.006 1 1695 154 154 PHE HA H 4.3400 0.05 1 1696 154 154 PHE HB2 H 2.7550 0.05 2 1697 154 154 PHE HB3 H 2.3460 0.05 2 1698 154 154 PHE HZ H 7.2040 0.05 1 1699 154 154 PHE C C 175.9220 0.04 1 1700 154 154 PHE CA C 61.2520 0.5 1 1701 154 154 PHE CB C 39.0540 0.5 1 1702 154 154 PHE N N 125.5265 0.1 1 1703 155 155 CYS H H 7.6588 0.006 1 1704 155 155 CYS HA H 3.9470 0.05 1 1705 155 155 CYS HB2 H 3.4312 0.05 2 1706 155 155 CYS HB3 H 2.8175 0.05 2 1707 155 155 CYS C C 176.4750 0.04 1 1708 155 155 CYS CA C 62.8990 0.5 1 1709 155 155 CYS CB C 26.4110 0.5 1 1710 155 155 CYS N N 115.6724 0.1 1 1711 156 156 ARG H H 7.7583 0.006 1 1712 156 156 ARG HA H 4.0990 0.05 1 1713 156 156 ARG HB2 H 1.9270 0.05 2 1714 156 156 ARG HB3 H 1.9270 0.05 2 1715 156 156 ARG HD2 H 3.3990 0.05 2 1716 156 156 ARG HD3 H 3.3990 0.05 2 1717 156 156 ARG HG2 H 1.6619 0.05 2 1718 156 156 ARG HG3 H 1.6619 0.05 2 1719 156 156 ARG C C 177.9920 0.04 1 1720 156 156 ARG CA C 58.7360 0.5 1 1721 156 156 ARG CB C 30.6680 0.5 1 1722 156 156 ARG CD C 43.7790 0.5 1 1723 156 156 ARG CG C 25.8100 0.5 1 1724 156 156 ARG N N 116.7446 0.1 1 1725 157 157 PHE H H 8.0708 0.006 1 1726 157 157 PHE HA H 3.9310 0.05 1 1727 157 157 PHE HB2 H 2.9230 0.05 2 1728 157 157 PHE HB3 H 2.2260 0.05 2 1729 157 157 PHE HD1 H 6.0340 0.05 3 1730 157 157 PHE HD2 H 6.0340 0.05 3 1731 157 157 PHE HE1 H 7.1455 0.05 3 1732 157 157 PHE HE2 H 7.1455 0.05 3 1733 157 157 PHE HZ H 7.2900 0.05 1 1734 157 157 PHE C C 176.9530 0.04 1 1735 157 157 PHE CA C 61.3920 0.5 1 1736 157 157 PHE CB C 39.5560 0.5 1 1737 157 157 PHE CD1 C 132.1260 0.5 3 1738 157 157 PHE CD2 C 132.1260 0.5 3 1739 157 157 PHE CE1 C 131.2870 0.5 3 1740 157 157 PHE CE2 C 131.2870 0.5 3 1741 157 157 PHE CZ C 129.6890 0.5 1 1742 157 157 PHE N N 119.9807 0.1 1 1743 158 158 PHE H H 7.1208 0.006 1 1744 158 158 PHE HA H 4.3600 0.05 1 1745 158 158 PHE HB2 H 3.1030 0.05 2 1746 158 158 PHE HB3 H 2.1020 0.05 2 1747 158 158 PHE HD1 H 6.7500 0.05 3 1748 158 158 PHE HD2 H 6.7500 0.05 3 1749 158 158 PHE HE1 H 7.1400 0.05 3 1750 158 158 PHE HE2 H 7.1400 0.05 3 1751 158 158 PHE C C 174.8480 0.04 1 1752 158 158 PHE CA C 59.1720 0.5 1 1753 158 158 PHE CB C 39.6170 0.5 1 1754 158 158 PHE CD1 C 132.7360 0.5 3 1755 158 158 PHE CD2 C 132.7360 0.5 3 1756 158 158 PHE CE1 C 131.3470 0.5 3 1757 158 158 PHE CE2 C 131.3470 0.5 3 1758 158 158 PHE N N 112.7192 0.1 1 1759 159 159 LYS H H 7.3459 0.006 1 1760 159 159 LYS HA H 4.1640 0.05 1 1761 159 159 LYS HB2 H 1.8570 0.05 2 1762 159 159 LYS HB3 H 1.8570 0.05 2 1763 159 159 LYS HD2 H 1.6630 0.05 2 1764 159 159 LYS HD3 H 1.6630 0.05 2 1765 159 159 LYS HE2 H 2.9940 0.05 2 1766 159 159 LYS HE3 H 2.9940 0.05 2 1767 159 159 LYS HG2 H 1.4430 0.05 2 1768 159 159 LYS HG3 H 1.4430 0.05 2 1769 159 159 LYS C C 175.1800 0.04 1 1770 159 159 LYS CA C 57.3490 0.5 1 1771 159 159 LYS CB C 32.8100 0.5 1 1772 159 159 LYS CD C 29.4170 0.5 1 1773 159 159 LYS CE C 42.3690 0.5 1 1774 159 159 LYS CG C 24.5810 0.5 1 1775 159 159 LYS N N 120.4455 0.1 1 1776 160 160 ASN H H 7.8670 0.006 1 1777 160 160 ASN HA H 4.4180 0.05 1 1778 160 160 ASN HB2 H 2.6980 0.05 2 1779 160 160 ASN HB3 H 2.6980 0.05 2 1780 160 160 ASN HD21 H 7.3740 0.05 2 1781 160 160 ASN HD22 H 6.7050 0.05 2 1782 160 160 ASN CA C 55.0610 0.5 1 1783 160 160 ASN CB C 40.7070 0.5 1 1784 160 160 ASN N N 125.8539 0.1 1 1785 160 160 ASN ND2 N 110.1800 0.1 1 stop_ save_