data_18242 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and sidechain 1H, 15N and 13C assignments of NLRP10 (PYNOD) pyrin domain ; _BMRB_accession_number 18242 _BMRB_flat_file_name bmr18242.str _Entry_type original _Submission_date 2012-02-07 _Accession_date 2012-02-07 _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 Chang Chung-I . . 2 Chang Chi-Fon . . 3 Su Ming-Yuan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 581 "13C chemical shifts" 428 "15N chemical shifts" 93 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-26 update BMRB 'update entry citation' 2012-06-05 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C and 15N resonance assignments of the pyrin domain from human PYNOD.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22618865 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Su Ming-Yuan . . 2 Chang Chung-I . . 3 Chang Chi-Fon . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 7 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 141 _Page_last 143 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PYNOD PYD' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PYNOD PYD' $PYNOD_PYD 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_PYNOD_PYD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PYNOD_PYD _Molecular_mass . _Mol_thiol_state unknown _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 102 _Mol_residue_sequence ; GAMAMAKARKPREALLWALS DLEENDFKKLKFYLRDMTLS EGQPPLARGELEGLIPVDLA ELLISKYGEKEAVKVVLKGL KVMNLLELVDQLSHICLHDY RE ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 ALA 5 MET 6 ALA 7 LYS 8 ALA 9 ARG 10 LYS 11 PRO 12 ARG 13 GLU 14 ALA 15 LEU 16 LEU 17 TRP 18 ALA 19 LEU 20 SER 21 ASP 22 LEU 23 GLU 24 GLU 25 ASN 26 ASP 27 PHE 28 LYS 29 LYS 30 LEU 31 LYS 32 PHE 33 TYR 34 LEU 35 ARG 36 ASP 37 MET 38 THR 39 LEU 40 SER 41 GLU 42 GLY 43 GLN 44 PRO 45 PRO 46 LEU 47 ALA 48 ARG 49 GLY 50 GLU 51 LEU 52 GLU 53 GLY 54 LEU 55 ILE 56 PRO 57 VAL 58 ASP 59 LEU 60 ALA 61 GLU 62 LEU 63 LEU 64 ILE 65 SER 66 LYS 67 TYR 68 GLY 69 GLU 70 LYS 71 GLU 72 ALA 73 VAL 74 LYS 75 VAL 76 VAL 77 LEU 78 LYS 79 GLY 80 LEU 81 LYS 82 VAL 83 MET 84 ASN 85 LEU 86 LEU 87 GLU 88 LEU 89 VAL 90 ASP 91 GLN 92 LEU 93 SER 94 HIS 95 ILE 96 CYS 97 LEU 98 HIS 99 ASP 100 TYR 101 ARG 102 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-07-29 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 2M5V "Three-dimensional Structure Of Human Nlrp10/pynod Pyrin Domain" 100.00 102 100.00 100.00 4.95e-65 GB AAI04958 "NLR family, pyrin domain containing 10 [Homo sapiens]" 98.04 655 100.00 100.00 1.41e-58 GB AAO18161 "NALP10 [Homo sapiens]" 98.04 655 100.00 100.00 1.41e-58 GB AAS67384 "PYNOD [Homo sapiens]" 98.04 655 100.00 100.00 1.41e-58 GB AIC53619 "NLRP10, partial [synthetic construct]" 98.04 655 100.00 100.00 1.41e-58 GB EAW68640 "NACHT, leucine rich repeat and PYD containing 10 [Homo sapiens]" 98.04 655 100.00 100.00 1.41e-58 REF NP_789791 "NACHT, LRR and PYD domains-containing protein 10 [Homo sapiens]" 98.04 655 100.00 100.00 1.41e-58 REF XP_003254944 "PREDICTED: NACHT, LRR and PYD domains-containing protein 10 [Nomascus leucogenys]" 98.04 693 98.00 98.00 1.11e-56 REF XP_003313013 "PREDICTED: LOW QUALITY PROTEIN: NACHT, LRR and PYD domains-containing protein 10 [Pan troglodytes]" 98.04 705 98.00 98.00 1.04e-56 REF XP_003818292 "PREDICTED: NACHT, LRR and PYD domains-containing protein 10 [Pan paniscus]" 98.04 705 98.00 99.00 3.74e-57 REF XP_004050717 "PREDICTED: NACHT, LRR and PYD domains-containing protein 10 [Gorilla gorilla gorilla]" 98.04 705 99.00 99.00 1.67e-57 SP Q86W26 "RecName: Full=NACHT, LRR and PYD domains-containing protein 10; AltName: Full=Nucleotide-binding oligomerization domain protein" 98.04 655 100.00 100.00 1.41e-58 TPG DAA01243 "TPA_inf: NOD8 [Homo sapiens]" 98.04 655 100.00 100.00 1.41e-58 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PYNOD_PYD Human 9606 Eukaryota Metazoa Homo sapiens 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 $PYNOD_PYD 'recombinant technology' . Escherichia coli BL21(DE3) pETM11 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 $PYNOD_PYD 0.2 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller 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 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_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_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 140 . mM pH 7.4 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio 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_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCA' '3D HCCH-TOCSY' '3D H(CCO)NH' '3D 1H-15N TOCSY' '3D HBHA(CO)NH' '3D HN(CO)CA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'PYNOD PYD' _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 2 2 ALA HA H 4.143 0.020 1 2 2 2 ALA HB H 1.384 0.020 1 3 2 2 ALA C C 177.327 0.3 1 4 2 2 ALA CA C 52.247 0.3 1 5 2 2 ALA CB C 19.233 0.3 1 6 3 3 MET H H 8.296 0.020 1 7 3 3 MET HA H 4.311 0.020 1 8 3 3 MET HB2 H 1.942 0.020 1 9 3 3 MET HB3 H 1.942 0.020 1 10 3 3 MET HG2 H 2.460 0.020 1 11 3 3 MET HG3 H 2.460 0.020 1 12 3 3 MET HE H 2.079 0.020 1 13 3 3 MET C C 176.089 0.3 1 14 3 3 MET CA C 55.592 0.3 1 15 3 3 MET CB C 32.524 0.3 1 16 3 3 MET CG C 31.913 0.3 1 17 3 3 MET N N 120.147 0.3 1 18 4 4 ALA H H 8.252 0.020 1 19 4 4 ALA HA H 4.198 0.020 1 20 4 4 ALA HB H 1.312 0.020 1 21 4 4 ALA C C 177.808 0.3 1 22 4 4 ALA CA C 52.625 0.3 1 23 4 4 ALA CB C 18.872 0.3 1 24 4 4 ALA N N 125.296 0.3 1 25 5 5 MET H H 8.179 0.020 1 26 5 5 MET HA H 4.249 0.020 1 27 5 5 MET HB2 H 1.909 0.020 1 28 5 5 MET HB3 H 1.909 0.020 1 29 5 5 MET HG2 H 2.462 0.020 1 30 5 5 MET HG3 H 2.462 0.020 1 31 5 5 MET HE H 1.969 0.020 1 32 5 5 MET C C 176.178 0.3 1 33 5 5 MET CA C 55.599 0.3 1 34 5 5 MET CB C 32.620 0.3 1 35 5 5 MET CG C 31.959 0.3 1 36 5 5 MET CE C 16.939 0.3 1 37 5 5 MET N N 119.400 0.3 1 38 6 6 ALA H H 8.081 0.020 1 39 6 6 ALA HA H 4.278 0.020 1 40 6 6 ALA HB H 1.358 0.020 1 41 6 6 ALA C C 174.753 0.3 1 42 6 6 ALA CA C 52.612 0.3 1 43 6 6 ALA CB C 18.951 0.3 1 44 6 6 ALA N N 124.270 0.3 1 45 7 7 LYS H H 8.443 0.020 1 46 7 7 LYS HA H 4.131 0.020 1 47 7 7 LYS HB2 H 1.684 0.020 1 48 7 7 LYS HB3 H 1.684 0.020 1 49 7 7 LYS HG2 H 1.327 0.020 1 50 7 7 LYS HG3 H 1.327 0.020 1 51 7 7 LYS HD2 H 1.744 0.020 1 52 7 7 LYS HD3 H 1.744 0.020 1 53 7 7 LYS HE2 H 2.993 0.020 1 54 7 7 LYS HE3 H 2.993 0.020 1 55 7 7 LYS C C 175.948 0.3 1 56 7 7 LYS CA C 55.875 0.3 1 57 7 7 LYS CB C 33.043 0.3 1 58 7 7 LYS CG C 24.692 0.3 1 59 7 7 LYS CD C 28.976 0.3 1 60 7 7 LYS CE C 44.294 0.3 1 61 7 7 LYS N N 119.797 0.3 1 62 8 8 ALA H H 7.994 0.020 1 63 8 8 ALA HA H 4.244 0.020 1 64 8 8 ALA HB H 1.266 0.020 1 65 8 8 ALA C C 177.114 0.3 1 66 8 8 ALA CA C 52.107 0.3 1 67 8 8 ALA CB C 18.955 0.3 1 68 8 8 ALA N N 124.139 0.3 1 69 9 9 ARG H H 8.231 0.020 1 70 9 9 ARG HA H 4.382 0.020 1 71 9 9 ARG HB2 H 1.790 0.020 2 72 9 9 ARG HB3 H 1.643 0.020 2 73 9 9 ARG HG2 H 1.592 0.020 1 74 9 9 ARG HG3 H 1.592 0.020 1 75 9 9 ARG HD2 H 2.966 0.020 1 76 9 9 ARG HD3 H 2.966 0.020 1 77 9 9 ARG C C 176.062 0.3 1 78 9 9 ARG CA C 55.619 0.3 1 79 9 9 ARG CB C 32.004 0.3 1 80 9 9 ARG CG C 27.481 0.3 1 81 9 9 ARG CD C 41.319 0.3 1 82 9 9 ARG N N 119.645 0.3 1 83 10 10 LYS H H 8.409 0.020 1 84 10 10 LYS HA H 4.588 0.020 1 85 10 10 LYS HB2 H 2.174 0.020 2 86 10 10 LYS HB3 H 1.897 0.020 2 87 10 10 LYS HG2 H 1.496 0.020 1 88 10 10 LYS HG3 H 1.496 0.020 1 89 10 10 LYS HD2 H 1.746 0.020 1 90 10 10 LYS HD3 H 1.746 0.020 1 91 10 10 LYS HE2 H 3.045 0.020 1 92 10 10 LYS HE3 H 3.045 0.020 1 93 10 10 LYS C C 175.241 0.3 1 94 10 10 LYS CA C 54.677 0.3 1 95 10 10 LYS CB C 31.822 0.3 1 96 10 10 LYS CG C 24.598 0.3 1 97 10 10 LYS CD C 26.787 0.3 1 98 10 10 LYS CE C 42.304 0.3 1 99 10 10 LYS N N 121.313 0.3 1 100 11 11 PRO HA H 4.100 0.020 1 101 11 11 PRO HB2 H 2.177 0.020 2 102 11 11 PRO HB3 H 1.906 0.020 2 103 11 11 PRO HG2 H 1.780 0.020 1 104 11 11 PRO HG3 H 1.780 0.020 1 105 11 11 PRO HD2 H 3.836 0.020 1 106 11 11 PRO HD3 H 3.836 0.020 1 107 11 11 PRO CA C 66.813 0.3 1 108 11 11 PRO CB C 31.860 0.3 1 109 11 11 PRO CG C 27.781 0.3 1 110 11 11 PRO CD C 50.560 0.3 1 111 12 12 ARG H H 8.920 0.020 1 112 12 12 ARG HA H 3.763 0.020 1 113 12 12 ARG HB2 H 1.874 0.020 2 114 12 12 ARG HB3 H 1.710 0.020 2 115 12 12 ARG HG2 H 1.433 0.020 1 116 12 12 ARG HG3 H 1.433 0.020 1 117 12 12 ARG HD2 H 3.202 0.020 1 118 12 12 ARG HD3 H 3.202 0.020 1 119 12 12 ARG C C 177.492 0.3 1 120 12 12 ARG CA C 60.352 0.3 1 121 12 12 ARG CB C 29.917 0.3 1 122 12 12 ARG CG C 27.781 0.3 1 123 12 12 ARG CD C 42.901 0.3 1 124 12 12 ARG N N 115.834 0.3 1 125 13 13 GLU H H 7.230 0.020 1 126 13 13 GLU HA H 3.994 0.020 1 127 13 13 GLU HB2 H 2.201 0.020 1 128 13 13 GLU HB3 H 2.201 0.020 1 129 13 13 GLU HG2 H 2.320 0.020 1 130 13 13 GLU HG3 H 2.320 0.020 1 131 13 13 GLU C C 179.087 0.3 1 132 13 13 GLU CA C 58.992 0.3 1 133 13 13 GLU CB C 29.688 0.3 1 134 13 13 GLU CG C 36.933 0.3 1 135 13 13 GLU N N 117.039 0.3 1 136 14 14 ALA H H 8.524 0.020 1 137 14 14 ALA HA H 4.090 0.020 1 138 14 14 ALA HB H 1.406 0.020 1 139 14 14 ALA C C 178.904 0.3 1 140 14 14 ALA CA C 55.113 0.3 1 141 14 14 ALA CB C 18.781 0.3 1 142 14 14 ALA N N 122.980 0.3 1 143 15 15 LEU H H 8.453 0.020 1 144 15 15 LEU HA H 3.996 0.020 1 145 15 15 LEU HB2 H 1.755 0.020 1 146 15 15 LEU HB3 H 1.755 0.020 1 147 15 15 LEU HG H 1.652 0.020 1 148 15 15 LEU HD1 H 0.927 0.020 2 149 15 15 LEU HD2 H 0.865 0.020 2 150 15 15 LEU C C 177.984 0.3 1 151 15 15 LEU CA C 58.008 0.3 1 152 15 15 LEU CB C 42.156 0.3 1 153 15 15 LEU CG C 25.663 0.3 1 154 15 15 LEU CD1 C 24.451 0.3 1 155 15 15 LEU CD2 C 24.350 0.3 1 156 15 15 LEU N N 117.738 0.3 1 157 16 16 LEU H H 8.012 0.020 1 158 16 16 LEU HA H 3.815 0.020 1 159 16 16 LEU HB2 H 1.689 0.020 1 160 16 16 LEU HB3 H 1.689 0.020 1 161 16 16 LEU HG H 1.644 0.020 1 162 16 16 LEU HD1 H 0.899 0.020 2 163 16 16 LEU HD2 H 0.863 0.020 2 164 16 16 LEU C C 179.450 0.3 1 165 16 16 LEU CA C 58.338 0.3 1 166 16 16 LEU CB C 41.642 0.3 1 167 16 16 LEU CG C 27.682 0.3 1 168 16 16 LEU CD1 C 24.499 0.3 1 169 16 16 LEU CD2 C 24.698 0.3 1 170 16 16 LEU N N 118.082 0.3 1 171 17 17 TRP H H 8.307 0.020 1 172 17 17 TRP HA H 4.057 0.020 1 173 17 17 TRP HB2 H 3.493 0.020 2 174 17 17 TRP HB3 H 3.303 0.020 2 175 17 17 TRP C C 177.635 0.3 1 176 17 17 TRP CA C 60.963 0.3 1 177 17 17 TRP CB C 28.021 0.3 1 178 17 17 TRP N N 121.125 0.3 1 179 18 18 ALA H H 8.346 0.020 1 180 18 18 ALA HA H 3.255 0.020 1 181 18 18 ALA HB H 1.365 0.020 1 182 18 18 ALA C C 178.770 0.3 1 183 18 18 ALA CA C 54.960 0.3 1 184 18 18 ALA CB C 18.724 0.3 1 185 18 18 ALA N N 120.871 0.3 1 186 19 19 LEU H H 8.070 0.020 1 187 19 19 LEU HA H 4.004 0.020 1 188 19 19 LEU HB2 H 1.872 0.020 2 189 19 19 LEU HB3 H 1.266 0.020 2 190 19 19 LEU HG H 2.091 0.020 1 191 19 19 LEU HD1 H 0.895 0.020 2 192 19 19 LEU HD2 H 0.871 0.020 2 193 19 19 LEU C C 178.812 0.3 1 194 19 19 LEU CA C 56.988 0.3 1 195 19 19 LEU CB C 42.569 0.3 1 196 19 19 LEU CG C 26.090 0.3 1 197 19 19 LEU CD1 C 23.604 0.3 1 198 19 19 LEU CD2 C 23.803 0.3 1 199 19 19 LEU N N 111.306 0.3 1 200 20 20 SER H H 7.739 0.020 1 201 20 20 SER HA H 3.969 0.020 1 202 20 20 SER HB2 H 3.773 0.020 1 203 20 20 SER HB3 H 3.773 0.020 1 204 20 20 SER C C 173.656 0.3 1 205 20 20 SER CA C 60.752 0.3 1 206 20 20 SER CB C 63.043 0.3 1 207 20 20 SER N N 111.980 0.3 1 208 21 21 ASP H H 7.344 0.020 1 209 21 21 ASP HA H 4.442 0.020 1 210 21 21 ASP HB2 H 2.269 0.020 2 211 21 21 ASP HB3 H 1.994 0.020 2 212 21 21 ASP C C 176.554 0.3 1 213 21 21 ASP CA C 54.744 0.3 1 214 21 21 ASP CB C 42.148 0.3 1 215 21 21 ASP N N 121.192 0.3 1 216 22 22 LEU H H 6.545 0.020 1 217 22 22 LEU HA H 4.280 0.020 1 218 22 22 LEU HB2 H 1.712 0.020 2 219 22 22 LEU HB3 H 1.383 0.020 2 220 22 22 LEU HG H 1.555 0.020 1 221 22 22 LEU HD1 H 0.941 0.020 2 222 22 22 LEU HD2 H 0.786 0.020 2 223 22 22 LEU C C 178.155 0.3 1 224 22 22 LEU CA C 54.453 0.3 1 225 22 22 LEU CB C 42.660 0.3 1 226 22 22 LEU CG C 27.551 0.3 1 227 22 22 LEU CD1 C 24.101 0.3 1 228 22 22 LEU CD2 C 24.059 0.3 1 229 22 22 LEU N N 116.666 0.3 1 230 23 23 GLU H H 9.486 0.020 1 231 23 23 GLU HA H 4.228 0.020 1 232 23 23 GLU HB2 H 2.318 0.020 2 233 23 23 GLU HB3 H 2.063 0.020 2 234 23 23 GLU HG2 H 2.519 0.020 2 235 23 23 GLU HG3 H 2.494 0.020 2 236 23 23 GLU C C 177.964 0.3 1 237 23 23 GLU CA C 56.606 0.3 1 238 23 23 GLU CB C 29.772 0.3 1 239 23 23 GLU CG C 36.702 0.3 1 240 23 23 GLU N N 124.825 0.3 1 241 24 24 GLU H H 8.910 0.020 1 242 24 24 GLU HA H 4.146 0.020 1 243 24 24 GLU HB2 H 2.193 0.020 2 244 24 24 GLU HB3 H 2.035 0.020 2 245 24 24 GLU HG2 H 2.374 0.020 1 246 24 24 GLU HG3 H 2.374 0.020 1 247 24 24 GLU C C 178.720 0.3 1 248 24 24 GLU CA C 60.738 0.3 1 249 24 24 GLU CB C 29.755 0.3 1 250 24 24 GLU CG C 35.934 0.3 1 251 24 24 GLU N N 123.906 0.3 1 252 25 25 ASN H H 9.186 0.020 1 253 25 25 ASN HA H 4.485 0.020 1 254 25 25 ASN HB2 H 2.957 0.020 2 255 25 25 ASN HB3 H 2.786 0.020 2 256 25 25 ASN C C 178.058 0.3 1 257 25 25 ASN CA C 56.600 0.3 1 258 25 25 ASN CB C 38.025 0.3 1 259 25 25 ASN N N 116.343 0.3 1 260 26 26 ASP H H 7.393 0.020 1 261 26 26 ASP HA H 4.663 0.020 1 262 26 26 ASP HB2 H 2.802 0.020 2 263 26 26 ASP HB3 H 2.510 0.020 2 264 26 26 ASP C C 177.533 0.3 1 265 26 26 ASP CA C 56.867 0.3 1 266 26 26 ASP CB C 40.864 0.3 1 267 26 26 ASP N N 121.187 0.3 1 268 27 27 PHE H H 8.733 0.020 1 269 27 27 PHE HA H 4.251 0.020 1 270 27 27 PHE HB2 H 3.200 0.020 1 271 27 27 PHE HB3 H 3.200 0.020 1 272 27 27 PHE C C 176.934 0.3 1 273 27 27 PHE CA C 60.861 0.3 1 274 27 27 PHE CB C 38.532 0.3 1 275 27 27 PHE N N 122.559 0.3 1 276 28 28 LYS H H 8.034 0.020 1 277 28 28 LYS HA H 3.524 0.020 1 278 28 28 LYS HB2 H 1.898 0.020 2 279 28 28 LYS HB3 H 1.780 0.020 2 280 28 28 LYS HG2 H 1.293 0.020 1 281 28 28 LYS HG3 H 1.293 0.020 1 282 28 28 LYS HD2 H 1.636 0.020 1 283 28 28 LYS HD3 H 1.636 0.020 1 284 28 28 LYS HE2 H 3.009 0.020 1 285 28 28 LYS HE3 H 3.009 0.020 1 286 28 28 LYS C C 178.623 0.3 1 287 28 28 LYS CA C 60.494 0.3 1 288 28 28 LYS CB C 32.115 0.3 1 289 28 28 LYS CG C 25.610 0.3 1 290 28 28 LYS CE C 41.608 0.3 1 291 28 28 LYS N N 117.601 0.3 1 292 29 29 LYS H H 7.714 0.020 1 293 29 29 LYS HA H 3.987 0.020 1 294 29 29 LYS HB2 H 2.068 0.020 1 295 29 29 LYS HB3 H 2.068 0.020 1 296 29 29 LYS HG2 H 1.535 0.020 1 297 29 29 LYS HG3 H 1.535 0.020 1 298 29 29 LYS HD2 H 1.724 0.020 1 299 29 29 LYS HD3 H 1.724 0.020 1 300 29 29 LYS HE2 H 2.935 0.020 1 301 29 29 LYS HE3 H 2.935 0.020 1 302 29 29 LYS C C 178.950 0.3 1 303 29 29 LYS CA C 59.844 0.3 1 304 29 29 LYS CB C 32.398 0.3 1 305 29 29 LYS CG C 25.494 0.3 1 306 29 29 LYS CD C 29.572 0.3 1 307 29 29 LYS CE C 42.006 0.3 1 308 29 29 LYS N N 119.078 0.3 1 309 30 30 LEU H H 8.447 0.020 1 310 30 30 LEU HA H 4.210 0.020 1 311 30 30 LEU HB2 H 1.448 0.020 2 312 30 30 LEU HB3 H 1.603 0.020 2 313 30 30 LEU HG H 1.642 0.020 1 314 30 30 LEU HD1 H 0.846 0.020 2 315 30 30 LEU HD2 H 0.913 0.020 2 316 30 30 LEU C C 178.616 0.3 1 317 30 30 LEU CA C 57.869 0.3 1 318 30 30 LEU CB C 40.725 0.3 1 319 30 30 LEU CG C 26.986 0.3 1 320 30 30 LEU CD1 C 26.443 0.3 1 321 30 30 LEU CD2 C 26.220 0.3 1 322 30 30 LEU N N 121.864 0.3 1 323 31 31 LYS H H 7.628 0.020 1 324 31 31 LYS HA H 3.619 0.020 1 325 31 31 LYS HB2 H 1.763 0.020 1 326 31 31 LYS HB3 H 1.763 0.020 1 327 31 31 LYS HG2 H 1.306 0.020 1 328 31 31 LYS HG3 H 1.306 0.020 1 329 31 31 LYS HD2 H 1.948 0.020 1 330 31 31 LYS HD3 H 1.948 0.020 1 331 31 31 LYS HE2 H 2.997 0.020 1 332 31 31 LYS HE3 H 2.997 0.020 1 333 31 31 LYS C C 178.341 0.3 1 334 31 31 LYS CA C 61.697 0.3 1 335 31 31 LYS CB C 31.576 0.3 1 336 31 31 LYS CG C 24.653 0.3 1 337 31 31 LYS CD C 26.588 0.3 1 338 31 31 LYS CE C 42.006 0.3 1 339 31 31 LYS N N 117.344 0.3 1 340 32 32 PHE H H 7.804 0.020 1 341 32 32 PHE HA H 4.227 0.020 1 342 32 32 PHE HB2 H 3.273 0.020 2 343 32 32 PHE HB3 H 3.155 0.020 2 344 32 32 PHE C C 177.885 0.3 1 345 32 32 PHE CA C 60.152 0.3 1 346 32 32 PHE CB C 37.593 0.3 1 347 32 32 PHE N N 118.619 0.3 1 348 33 33 TYR H H 8.192 0.020 1 349 33 33 TYR HA H 4.227 0.020 1 350 33 33 TYR HB2 H 2.387 0.020 1 351 33 33 TYR HB3 H 2.387 0.020 1 352 33 33 TYR C C 177.966 0.3 1 353 33 33 TYR CA C 61.691 0.3 1 354 33 33 TYR CB C 40.862 0.3 1 355 33 33 TYR N N 120.659 0.3 1 356 34 34 LEU HA H 3.935 0.020 1 357 34 34 LEU HB2 H 1.899 0.020 2 358 34 34 LEU HB3 H 1.772 0.020 2 359 34 34 LEU HG H 2.099 0.020 1 360 34 34 LEU HD1 H 1.287 0.020 2 361 34 34 LEU HD2 H 0.842 0.020 2 362 34 34 LEU C C 178.547 0.3 1 363 34 34 LEU CA C 57.138 0.3 1 364 34 34 LEU CB C 41.942 0.3 1 365 34 34 LEU CG C 25.553 0.3 1 366 35 35 ARG H H 7.716 0.020 1 367 35 35 ARG HA H 3.937 0.020 1 368 35 35 ARG HB2 H 2.005 0.020 2 369 35 35 ARG HB3 H 1.799 0.020 2 370 35 35 ARG HG2 H 1.547 0.020 1 371 35 35 ARG HG3 H 1.547 0.020 1 372 35 35 ARG HD2 H 3.166 0.020 1 373 35 35 ARG HD3 H 3.166 0.020 1 374 35 35 ARG C C 177.307 0.3 1 375 35 35 ARG CA C 58.803 0.3 1 376 35 35 ARG CB C 30.034 0.3 1 377 35 35 ARG CG C 26.113 0.3 1 378 35 35 ARG CD C 43.675 0.3 1 379 35 35 ARG N N 118.300 0.3 1 380 36 36 ASP H H 7.668 0.020 1 381 36 36 ASP HA H 4.605 0.020 1 382 36 36 ASP HB2 H 2.681 0.020 2 383 36 36 ASP HB3 H 2.518 0.020 2 384 36 36 ASP C C 177.043 0.3 1 385 36 36 ASP CA C 55.356 0.3 1 386 36 36 ASP CB C 41.116 0.3 1 387 36 36 ASP N N 118.003 0.3 1 388 37 37 MET H H 7.751 0.020 1 389 37 37 MET HA H 4.154 0.020 1 390 37 37 MET HB2 H 1.803 0.020 1 391 37 37 MET HB3 H 1.803 0.020 1 392 37 37 MET HG2 H 2.392 0.020 1 393 37 37 MET HG3 H 2.392 0.020 1 394 37 37 MET HE H 2.038 0.020 1 395 37 37 MET C C 176.368 0.3 1 396 37 37 MET CA C 56.812 0.3 1 397 37 37 MET CB C 32.363 0.3 1 398 37 37 MET CG C 31.257 0.3 1 399 37 37 MET CE C 16.336 0.3 1 400 37 37 MET N N 119.923 0.3 1 401 38 38 THR H H 8.078 0.020 1 402 38 38 THR HA H 4.182 0.020 1 403 38 38 THR HB H 4.155 0.020 1 404 38 38 THR HG2 H 1.218 0.020 1 405 38 38 THR C C 174.870 0.3 1 406 38 38 THR CA C 63.104 0.3 1 407 38 38 THR CB C 69.236 0.3 1 408 38 38 THR CG2 C 21.723 0.3 1 409 38 38 THR N N 114.894 0.3 1 410 39 39 LEU H H 8.139 0.020 1 411 39 39 LEU HA H 4.399 0.020 1 412 39 39 LEU HB2 H 1.668 0.020 1 413 39 39 LEU HB3 H 1.668 0.020 1 414 39 39 LEU HG H 1.633 0.020 1 415 39 39 LEU HD1 H 0.800 0.020 2 416 39 39 LEU HD2 H 0.858 0.020 2 417 39 39 LEU C C 178.132 0.3 1 418 39 39 LEU CA C 55.313 0.3 1 419 39 39 LEU CB C 42.661 0.3 1 420 39 39 LEU CG C 25.119 0.3 1 421 39 39 LEU CD1 C 23.133 0.3 1 422 39 39 LEU CD2 C 23.246 0.3 1 423 39 39 LEU N N 125.375 0.3 1 424 40 40 SER H H 8.253 0.020 1 425 40 40 SER HA H 4.430 0.020 1 426 40 40 SER HB2 H 3.815 0.020 1 427 40 40 SER HB3 H 3.815 0.020 1 428 40 40 SER C C 174.590 0.3 1 429 40 40 SER CA C 58.702 0.3 1 430 40 40 SER CB C 63.803 0.3 1 431 40 40 SER N N 116.283 0.3 1 432 41 41 GLU H H 8.381 0.020 1 433 41 41 GLU HA H 4.158 0.020 1 434 41 41 GLU HB2 H 2.013 0.020 1 435 41 41 GLU HB3 H 2.013 0.020 1 436 41 41 GLU HG2 H 2.272 0.020 1 437 41 41 GLU HG3 H 2.272 0.020 1 438 41 41 GLU C C 177.400 0.3 1 439 41 41 GLU CA C 57.757 0.3 1 440 41 41 GLU CB C 29.524 0.3 1 441 41 41 GLU CG C 36.066 0.3 1 442 41 41 GLU N N 121.786 0.3 1 443 42 42 GLY H H 8.573 0.020 1 444 42 42 GLY HA2 H 4.124 0.020 2 445 42 42 GLY HA3 H 3.766 0.020 2 446 42 42 GLY C C 174.305 0.3 1 447 42 42 GLY CA C 45.364 0.3 1 448 42 42 GLY N N 111.170 0.3 1 449 43 43 GLN H H 7.859 0.020 1 450 43 43 GLN HA H 4.742 0.020 1 451 43 43 GLN HB2 H 2.269 0.020 2 452 43 43 GLN HB3 H 1.994 0.020 2 453 43 43 GLN HG2 H 2.334 0.020 1 454 43 43 GLN HG3 H 2.334 0.020 1 455 43 43 GLN C C 173.464 0.3 1 456 43 43 GLN CA C 53.309 0.3 1 457 43 43 GLN CB C 29.013 0.3 1 458 43 43 GLN CG C 34.710 0.3 1 459 43 43 GLN N N 120.310 0.3 1 460 44 44 PRO HA H 4.003 0.020 1 461 44 44 PRO CA C 63.020 0.3 1 462 45 45 PRO HA H 4.494 0.020 1 463 45 45 PRO HB2 H 2.235 0.020 2 464 45 45 PRO HB3 H 2.012 0.020 2 465 45 45 PRO HG2 H 1.946 0.020 2 466 45 45 PRO HG3 H 1.880 0.020 2 467 45 45 PRO HD2 H 3.805 0.020 2 468 45 45 PRO HD3 H 3.661 0.020 2 469 45 45 PRO CA C 62.313 0.3 1 470 45 45 PRO CB C 32.392 0.3 1 471 45 45 PRO CG C 26.095 0.3 1 472 45 45 PRO CD C 50.196 0.3 1 473 46 46 LEU H H 8.438 0.020 1 474 46 46 LEU HA H 4.278 0.020 1 475 46 46 LEU HB2 H 1.629 0.020 2 476 46 46 LEU HB3 H 1.332 0.020 2 477 46 46 LEU HG H 1.812 0.020 1 478 46 46 LEU HD1 H 0.842 0.020 2 479 46 46 LEU HD2 H 0.867 0.020 2 480 46 46 LEU C C 176.253 0.3 1 481 46 46 LEU CA C 54.566 0.3 1 482 46 46 LEU CB C 42.852 0.3 1 483 46 46 LEU CG C 25.966 0.3 1 484 46 46 LEU CD1 C 24.047 0.3 1 485 46 46 LEU CD2 C 23.946 0.3 1 486 46 46 LEU N N 121.802 0.3 1 487 47 47 ALA H H 8.862 0.020 1 488 47 47 ALA HA H 4.373 0.020 1 489 47 47 ALA HB H 1.394 0.020 1 490 47 47 ALA C C 178.248 0.3 1 491 47 47 ALA CA C 51.241 0.3 1 492 47 47 ALA CB C 19.572 0.3 1 493 47 47 ALA N N 124.765 0.3 1 494 48 48 ARG H H 8.717 0.020 1 495 48 48 ARG HA H 3.967 0.020 1 496 48 48 ARG HB2 H 1.849 0.020 1 497 48 48 ARG HB3 H 1.849 0.020 1 498 48 48 ARG HG2 H 1.689 0.020 1 499 48 48 ARG HG3 H 1.689 0.020 1 500 48 48 ARG HD2 H 3.190 0.020 1 501 48 48 ARG HD3 H 3.190 0.020 1 502 48 48 ARG C C 178.248 0.3 1 503 48 48 ARG CA C 58.852 0.3 1 504 48 48 ARG CB C 29.524 0.3 1 505 48 48 ARG CG C 26.787 0.3 1 506 48 48 ARG CD C 43.100 0.3 1 507 48 48 ARG N N 121.703 0.3 1 508 49 49 GLY H H 8.837 0.020 1 509 49 49 GLY HA2 H 3.504 0.020 1 510 49 49 GLY HA3 H 3.504 0.020 1 511 49 49 GLY C C 175.474 0.3 1 512 49 49 GLY CA C 46.093 0.3 1 513 49 49 GLY N N 108.948 0.3 1 514 50 50 GLU H H 7.708 0.020 1 515 50 50 GLU HA H 4.218 0.020 1 516 50 50 GLU HB2 H 2.115 0.020 2 517 50 50 GLU HB3 H 1.996 0.020 2 518 50 50 GLU HG2 H 2.242 0.020 1 519 50 50 GLU HG3 H 2.242 0.020 1 520 50 50 GLU C C 177.038 0.3 1 521 50 50 GLU CA C 57.576 0.3 1 522 50 50 GLU CB C 30.307 0.3 1 523 50 50 GLU CG C 36.648 0.3 1 524 50 50 GLU N N 119.355 0.3 1 525 51 51 LEU H H 7.736 0.020 1 526 51 51 LEU HA H 4.158 0.020 1 527 51 51 LEU HB2 H 1.409 0.020 1 528 51 51 LEU HB3 H 1.409 0.020 1 529 51 51 LEU HG H 1.262 0.020 1 530 51 51 LEU HD1 H 0.776 0.020 2 531 51 51 LEU HD2 H 0.723 0.020 2 532 51 51 LEU C C 178.809 0.3 1 533 51 51 LEU CA C 55.942 0.3 1 534 51 51 LEU CB C 43.301 0.3 1 535 51 51 LEU CG C 26.389 0.3 1 536 51 51 LEU CD1 C 24.698 0.3 1 537 51 51 LEU CD2 C 24.300 0.3 1 538 51 51 LEU N N 116.383 0.3 1 539 52 52 GLU H H 8.281 0.020 1 540 52 52 GLU HA H 4.389 0.020 1 541 52 52 GLU HB2 H 2.038 0.020 1 542 52 52 GLU HB3 H 2.038 0.020 1 543 52 52 GLU HG2 H 2.333 0.020 1 544 52 52 GLU HG3 H 2.333 0.020 1 545 52 52 GLU C C 177.968 0.3 1 546 52 52 GLU CA C 59.844 0.3 1 547 52 52 GLU CB C 29.258 0.3 1 548 52 52 GLU CG C 36.238 0.3 1 549 52 52 GLU N N 119.684 0.3 1 550 53 53 GLY H H 8.066 0.020 1 551 53 53 GLY HA2 H 3.980 0.020 2 552 53 53 GLY HA3 H 3.832 0.020 2 553 53 53 GLY C C 174.883 0.3 1 554 53 53 GLY CA C 44.980 0.3 1 555 53 53 GLY N N 108.696 0.3 1 556 54 54 LEU H H 7.052 0.020 1 557 54 54 LEU HA H 4.668 0.020 1 558 54 54 LEU HB2 H 1.651 0.020 2 559 54 54 LEU HB3 H 1.458 0.020 2 560 54 54 LEU HG H 1.838 0.020 1 561 54 54 LEU HD1 H 0.886 0.020 1 562 54 54 LEU HD2 H 0.886 0.020 1 563 54 54 LEU C C 178.434 0.3 1 564 54 54 LEU CA C 55.545 0.3 1 565 54 54 LEU CB C 42.925 0.3 1 566 54 54 LEU CG C 27.182 0.3 1 567 54 54 LEU CD1 C 22.975 0.3 1 568 54 54 LEU N N 118.411 0.3 1 569 55 55 ILE H H 8.553 0.020 1 570 55 55 ILE HA H 4.841 0.020 1 571 55 55 ILE HB H 2.401 0.020 1 572 55 55 ILE HG12 H 1.559 0.020 2 573 55 55 ILE HG13 H 1.179 0.020 2 574 55 55 ILE HG2 H 1.104 0.020 1 575 55 55 ILE HD1 H 0.939 0.020 1 576 55 55 ILE C C 175.341 0.3 1 577 55 55 ILE CA C 60.728 0.3 1 578 55 55 ILE CB C 35.443 0.3 1 579 55 55 ILE CG1 C 25.309 0.3 1 580 55 55 ILE CG2 C 16.927 0.3 1 581 55 55 ILE CD1 C 13.955 0.3 1 582 55 55 ILE N N 118.863 0.3 1 583 56 56 PRO HA H 3.966 0.020 1 584 56 56 PRO HB2 H 1.800 0.020 2 585 56 56 PRO HB3 H 1.701 0.020 2 586 56 56 PRO HG2 H 1.731 0.020 1 587 56 56 PRO HG3 H 1.731 0.020 1 588 56 56 PRO HD2 H 3.514 0.020 1 589 56 56 PRO HD3 H 3.514 0.020 1 590 56 56 PRO CA C 68.546 0.3 1 591 56 56 PRO CB C 31.537 0.3 1 592 56 56 PRO CG C 25.629 0.3 1 593 56 56 PRO CD C 50.273 0.3 1 594 57 57 VAL H H 8.352 0.020 1 595 57 57 VAL HA H 3.780 0.020 1 596 57 57 VAL HB H 1.995 0.020 1 597 57 57 VAL HG1 H 1.015 0.020 2 598 57 57 VAL HG2 H 0.958 0.020 2 599 57 57 VAL C C 176.556 0.3 1 600 57 57 VAL CA C 65.855 0.3 1 601 57 57 VAL CB C 31.302 0.3 1 602 57 57 VAL CG1 C 20.208 0.3 1 603 57 57 VAL CG2 C 21.622 0.3 1 604 57 57 VAL N N 113.810 0.3 1 605 58 58 ASP H H 6.657 0.020 1 606 58 58 ASP HA H 4.588 0.020 1 607 58 58 ASP HB2 H 2.681 0.020 1 608 58 58 ASP HB3 H 2.681 0.020 1 609 58 58 ASP C C 179.467 0.3 1 610 58 58 ASP CA C 56.360 0.3 1 611 58 58 ASP CB C 40.870 0.3 1 612 58 58 ASP N N 120.293 0.3 1 613 59 59 LEU H H 8.632 0.020 1 614 59 59 LEU HA H 4.208 0.020 1 615 59 59 LEU HB2 H 2.149 0.020 2 616 59 59 LEU HB3 H 1.386 0.020 2 617 59 59 LEU HG H 1.572 0.020 1 618 59 59 LEU HD1 H 0.887 0.020 2 619 59 59 LEU HD2 H 0.906 0.020 2 620 59 59 LEU C C 177.623 0.3 1 621 59 59 LEU CA C 57.746 0.3 1 622 59 59 LEU CB C 41.104 0.3 1 623 59 59 LEU CG C 26.886 0.3 1 624 59 59 LEU CD1 C 23.902 0.3 1 625 59 59 LEU CD2 C 24.300 0.3 1 626 59 59 LEU N N 122.879 0.3 1 627 60 60 ALA H H 8.539 0.020 1 628 60 60 ALA HA H 3.753 0.020 1 629 60 60 ALA HB H 1.428 0.020 1 630 60 60 ALA C C 178.381 0.3 1 631 60 60 ALA CA C 55.850 0.3 1 632 60 60 ALA CB C 17.652 0.3 1 633 60 60 ALA N N 120.619 0.3 1 634 61 61 GLU H H 7.666 0.020 1 635 61 61 GLU HA H 4.017 0.020 1 636 61 61 GLU HB2 H 2.100 0.020 1 637 61 61 GLU HB3 H 2.100 0.020 1 638 61 61 GLU HG2 H 2.424 0.020 1 639 61 61 GLU HG3 H 2.424 0.020 1 640 61 61 GLU C C 179.186 0.3 1 641 61 61 GLU CA C 59.115 0.3 1 642 61 61 GLU CB C 29.253 0.3 1 643 61 61 GLU CG C 35.561 0.3 1 644 61 61 GLU N N 114.267 0.3 1 645 62 62 LEU H H 7.997 0.020 1 646 62 62 LEU HA H 4.145 0.020 1 647 62 62 LEU HB2 H 1.896 0.020 2 648 62 62 LEU HB3 H 1.738 0.020 2 649 62 62 LEU HG H 1.397 0.020 1 650 62 62 LEU HD1 H 0.912 0.020 2 651 62 62 LEU HD2 H 0.832 0.020 2 652 62 62 LEU C C 179.090 0.3 1 653 62 62 LEU CA C 58.164 0.3 1 654 62 62 LEU CB C 42.115 0.3 1 655 62 62 LEU CG C 26.190 0.3 1 656 62 62 LEU CD1 C 24.101 0.3 1 657 62 62 LEU CD2 C 24.002 0.3 1 658 62 62 LEU N N 121.988 0.3 1 659 63 63 LEU H H 8.473 0.020 1 660 63 63 LEU HA H 3.994 0.020 1 661 63 63 LEU HB2 H 2.035 0.020 1 662 63 63 LEU HB3 H 2.035 0.020 1 663 63 63 LEU HG H 1.362 0.020 1 664 63 63 LEU HD1 H 0.824 0.020 2 665 63 63 LEU HD2 H 0.852 0.020 2 666 63 63 LEU C C 179.078 0.3 1 667 63 63 LEU CA C 57.985 0.3 1 668 63 63 LEU CB C 42.665 0.3 1 669 63 63 LEU CG C 26.370 0.3 1 670 63 63 LEU CD1 C 22.632 0.3 1 671 63 63 LEU CD2 C 22.609 0.3 1 672 63 63 LEU N N 117.212 0.3 1 673 64 64 ILE H H 8.305 0.020 1 674 64 64 ILE HA H 3.340 0.020 1 675 64 64 ILE HB H 1.807 0.020 1 676 64 64 ILE HG12 H 0.853 0.020 2 677 64 64 ILE HG13 H 0.878 0.020 2 678 64 64 ILE HG2 H 0.937 0.020 1 679 64 64 ILE HD1 H 0.820 0.020 1 680 64 64 ILE C C 179.091 0.3 1 681 64 64 ILE CA C 65.729 0.3 1 682 64 64 ILE CB C 37.764 0.3 1 683 64 64 ILE CG1 C 30.268 0.3 1 684 64 64 ILE CG2 C 17.436 0.3 1 685 64 64 ILE CD1 C 13.557 0.3 1 686 64 64 ILE N N 119.152 0.3 1 687 65 65 SER H H 8.425 0.020 1 688 65 65 SER HA H 4.005 0.020 1 689 65 65 SER HB2 H 3.507 0.020 1 690 65 65 SER HB3 H 3.507 0.020 1 691 65 65 SER C C 179.078 0.3 1 692 65 65 SER CA C 61.605 0.3 1 693 65 65 SER CB C 62.788 0.3 1 694 65 65 SER N N 116.957 0.3 1 695 66 66 LYS H H 7.965 0.020 1 696 66 66 LYS HA H 3.965 0.020 1 697 66 66 LYS HB2 H 1.322 0.020 2 698 66 66 LYS HB3 H 0.917 0.020 2 699 66 66 LYS HG2 H 1.074 0.020 2 700 66 66 LYS HG3 H 0.865 0.020 2 701 66 66 LYS HD2 H 1.827 0.020 1 702 66 66 LYS HD3 H 1.827 0.020 1 703 66 66 LYS HE2 H 3.186 0.020 1 704 66 66 LYS HE3 H 3.186 0.020 1 705 66 66 LYS C C 178.249 0.3 1 706 66 66 LYS CA C 58.338 0.3 1 707 66 66 LYS CB C 32.852 0.3 1 708 66 66 LYS CG C 24.897 0.3 1 709 66 66 LYS CD C 28.876 0.3 1 710 66 66 LYS CE C 42.105 0.3 1 711 66 66 LYS N N 118.961 0.3 1 712 67 67 TYR H H 8.143 0.020 1 713 67 67 TYR HA H 4.828 0.020 1 714 67 67 TYR HB2 H 3.197 0.020 2 715 67 67 TYR HB3 H 2.716 0.020 2 716 67 67 TYR C C 177.497 0.3 1 717 67 67 TYR CA C 58.046 0.3 1 718 67 67 TYR CB C 40.109 0.3 1 719 67 67 TYR N N 113.351 0.3 1 720 68 68 GLY H H 8.080 0.020 1 721 68 68 GLY HA2 H 4.662 0.020 2 722 68 68 GLY HA3 H 4.004 0.020 2 723 68 68 GLY C C 173.421 0.3 1 724 68 68 GLY CA C 44.195 0.3 1 725 68 68 GLY N N 110.523 0.3 1 726 69 69 GLU H H 8.834 0.020 1 727 69 69 GLU HA H 3.810 0.020 1 728 69 69 GLU HB2 H 2.105 0.020 2 729 69 69 GLU HB3 H 1.995 0.020 2 730 69 69 GLU HG2 H 2.258 0.020 2 731 69 69 GLU HG3 H 2.360 0.020 2 732 69 69 GLU C C 176.937 0.3 1 733 69 69 GLU CA C 61.358 0.3 1 734 69 69 GLU CB C 30.366 0.3 1 735 69 69 GLU CG C 37.331 0.3 1 736 69 69 GLU N N 118.350 0.3 1 737 70 70 LYS H H 8.268 0.020 1 738 70 70 LYS HA H 3.935 0.020 1 739 70 70 LYS HB2 H 1.788 0.020 1 740 70 70 LYS HB3 H 1.788 0.020 1 741 70 70 LYS HG2 H 1.300 0.020 1 742 70 70 LYS HG3 H 1.300 0.020 1 743 70 70 LYS HD2 H 1.542 0.020 1 744 70 70 LYS HD3 H 1.542 0.020 1 745 70 70 LYS HE2 H 2.976 0.020 1 746 70 70 LYS HE3 H 2.976 0.020 1 747 70 70 LYS C C 179.551 0.3 1 748 70 70 LYS CA C 60.110 0.3 1 749 70 70 LYS CB C 32.169 0.3 1 750 70 70 LYS CG C 25.663 0.3 1 751 70 70 LYS CD C 29.400 0.3 1 752 70 70 LYS CE C 42.127 0.3 1 753 70 70 LYS N N 117.171 0.3 1 754 71 71 GLU H H 8.756 0.020 1 755 71 71 GLU HA H 4.045 0.020 1 756 71 71 GLU HB2 H 2.132 0.020 2 757 71 71 GLU HB3 H 1.874 0.020 2 758 71 71 GLU HG2 H 2.316 0.020 1 759 71 71 GLU HG3 H 2.316 0.020 1 760 71 71 GLU C C 178.342 0.3 1 761 71 71 GLU CA C 58.104 0.3 1 762 71 71 GLU CB C 28.482 0.3 1 763 71 71 GLU CG C 36.490 0.3 1 764 71 71 GLU N N 118.917 0.3 1 765 72 72 ALA H H 8.348 0.020 1 766 72 72 ALA HA H 3.826 0.020 1 767 72 72 ALA HB H 1.433 0.020 1 768 72 72 ALA C C 178.773 0.3 1 769 72 72 ALA CA C 54.785 0.3 1 770 72 72 ALA CB C 19.095 0.3 1 771 72 72 ALA N N 120.863 0.3 1 772 73 73 VAL H H 7.356 0.020 1 773 73 73 VAL HA H 3.455 0.020 1 774 73 73 VAL HB H 2.288 0.020 1 775 73 73 VAL HG1 H 1.135 0.020 2 776 73 73 VAL HG2 H 0.899 0.020 2 777 73 73 VAL C C 177.120 0.3 1 778 73 73 VAL CA C 66.880 0.3 1 779 73 73 VAL CB C 31.345 0.3 1 780 73 73 VAL CG1 C 21.925 0.3 1 781 73 73 VAL CG2 C 23.542 0.3 1 782 73 73 VAL N N 114.489 0.3 1 783 74 74 LYS H H 7.459 0.020 1 784 74 74 LYS HA H 3.807 0.020 1 785 74 74 LYS HB2 H 1.874 0.020 1 786 74 74 LYS HB3 H 1.874 0.020 1 787 74 74 LYS HG2 H 1.342 0.020 1 788 74 74 LYS HG3 H 1.342 0.020 1 789 74 74 LYS HD2 H 1.631 0.020 1 790 74 74 LYS HD3 H 1.631 0.020 1 791 74 74 LYS HE2 H 2.918 0.020 1 792 74 74 LYS HE3 H 2.918 0.020 1 793 74 74 LYS C C 179.371 0.3 1 794 74 74 LYS CA C 60.391 0.3 1 795 74 74 LYS CB C 32.087 0.3 1 796 74 74 LYS CG C 25.420 0.3 1 797 74 74 LYS CD C 29.279 0.3 1 798 74 74 LYS CE C 41.655 0.3 1 799 74 74 LYS N N 118.668 0.3 1 800 75 75 VAL H H 8.359 0.020 1 801 75 75 VAL HA H 3.667 0.020 1 802 75 75 VAL HB H 2.062 0.020 1 803 75 75 VAL HG1 H 0.805 0.020 2 804 75 75 VAL HG2 H 0.685 0.020 2 805 75 75 VAL C C 178.015 0.3 1 806 75 75 VAL CA C 66.105 0.3 1 807 75 75 VAL CB C 31.592 0.3 1 808 75 75 VAL CG1 C 21.397 0.3 1 809 75 75 VAL CG2 C 18.895 0.3 1 810 75 75 VAL N N 118.640 0.3 1 811 76 76 VAL H H 7.558 0.020 1 812 76 76 VAL HA H 3.524 0.020 1 813 76 76 VAL HB H 2.114 0.020 1 814 76 76 VAL HG1 H 1.041 0.020 2 815 76 76 VAL HG2 H 0.773 0.020 2 816 76 76 VAL C C 177.215 0.3 1 817 76 76 VAL CA C 67.542 0.3 1 818 76 76 VAL CB C 31.302 0.3 1 819 76 76 VAL CG1 C 24.947 0.3 1 820 76 76 VAL CG2 C 20.740 0.3 1 821 76 76 VAL N N 120.239 0.3 1 822 77 77 LEU H H 8.845 0.020 1 823 77 77 LEU HA H 3.782 0.020 1 824 77 77 LEU HB2 H 1.544 0.020 2 825 77 77 LEU HB3 H 1.867 0.020 2 826 77 77 LEU HG H 1.731 0.020 1 827 77 77 LEU HD1 H 0.895 0.020 2 828 77 77 LEU HD2 H 0.834 0.020 2 829 77 77 LEU C C 178.614 0.3 1 830 77 77 LEU CA C 58.978 0.3 1 831 77 77 LEU CB C 42.147 0.3 1 832 77 77 LEU CG C 26.289 0.3 1 833 77 77 LEU CD1 C 24.009 0.3 1 834 77 77 LEU CD2 C 23.673 0.3 1 835 77 77 LEU N N 120.784 0.3 1 836 78 78 LYS H H 7.728 0.020 1 837 78 78 LYS HA H 3.854 0.020 1 838 78 78 LYS HB2 H 1.944 0.020 1 839 78 78 LYS HB3 H 1.944 0.020 1 840 78 78 LYS HG2 H 1.442 0.020 1 841 78 78 LYS HG3 H 1.442 0.020 1 842 78 78 LYS HD2 H 1.614 0.020 1 843 78 78 LYS HD3 H 1.614 0.020 1 844 78 78 LYS HE2 H 2.964 0.020 1 845 78 78 LYS HE3 H 2.964 0.020 1 846 78 78 LYS C C 179.373 0.3 1 847 78 78 LYS CA C 60.097 0.3 1 848 78 78 LYS CB C 32.102 0.3 1 849 78 78 LYS CG C 25.394 0.3 1 850 78 78 LYS CD C 29.671 0.3 1 851 78 78 LYS CE C 41.707 0.3 1 852 78 78 LYS N N 117.756 0.3 1 853 79 79 GLY H H 7.671 0.020 1 854 79 79 GLY HA2 H 2.912 0.020 1 855 79 79 GLY HA3 H 2.912 0.020 1 856 79 79 GLY C C 174.502 0.3 1 857 79 79 GLY CA C 46.850 0.3 1 858 79 79 GLY N N 106.329 0.3 1 859 80 80 LEU H H 8.630 0.020 1 860 80 80 LEU HA H 3.947 0.020 1 861 80 80 LEU HB2 H 1.850 0.020 1 862 80 80 LEU HB3 H 1.850 0.020 1 863 80 80 LEU HG H 1.297 0.020 1 864 80 80 LEU HD1 H 0.677 0.020 1 865 80 80 LEU HD2 H 0.677 0.020 1 866 80 80 LEU C C 178.973 0.3 1 867 80 80 LEU CA C 57.620 0.3 1 868 80 80 LEU CB C 41.646 0.3 1 869 80 80 LEU CG C 26.389 0.3 1 870 80 80 LEU N N 120.274 0.3 1 871 81 81 LYS H H 8.014 0.020 1 872 81 81 LYS HA H 3.798 0.020 1 873 81 81 LYS HB2 H 1.948 0.020 2 874 81 81 LYS HB3 H 1.844 0.020 2 875 81 81 LYS HG2 H 1.351 0.020 1 876 81 81 LYS HG3 H 1.351 0.020 1 877 81 81 LYS HD2 H 1.529 0.020 1 878 81 81 LYS HD3 H 1.529 0.020 1 879 81 81 LYS HE2 H 3.213 0.020 1 880 81 81 LYS HE3 H 3.213 0.020 1 881 81 81 LYS C C 180.862 0.3 1 882 81 81 LYS CA C 60.122 0.3 1 883 81 81 LYS CB C 32.132 0.3 1 884 81 81 LYS CG C 25.966 0.3 1 885 81 81 LYS CD C 29.501 0.3 1 886 81 81 LYS CE C 42.006 0.3 1 887 81 81 LYS N N 118.690 0.3 1 888 82 82 VAL H H 7.723 0.020 1 889 82 82 VAL HA H 3.683 0.020 1 890 82 82 VAL HB H 1.983 0.020 1 891 82 82 VAL HG1 H 0.955 0.020 2 892 82 82 VAL HG2 H 0.771 0.020 2 893 82 82 VAL C C 177.874 0.3 1 894 82 82 VAL CA C 65.957 0.3 1 895 82 82 VAL CB C 31.077 0.3 1 896 82 82 VAL CG1 C 22.402 0.3 1 897 82 82 VAL CG2 C 20.768 0.3 1 898 82 82 VAL N N 121.916 0.3 1 899 83 83 MET H H 7.415 0.020 1 900 83 83 MET HA H 4.114 0.020 1 901 83 83 MET HB2 H 2.389 0.020 2 902 83 83 MET HB3 H 1.918 0.020 2 903 83 83 MET HG2 H 2.518 0.020 1 904 83 83 MET HG3 H 2.518 0.020 1 905 83 83 MET HE H 2.100 0.020 1 906 83 83 MET C C 174.615 0.3 1 907 83 83 MET CA C 56.363 0.3 1 908 83 83 MET CB C 34.093 0.3 1 909 83 83 MET CG C 31.824 0.3 1 910 83 83 MET CE C 16.805 0.3 1 911 83 83 MET N N 116.851 0.3 1 912 84 84 ASN H H 8.004 0.020 1 913 84 84 ASN HA H 4.227 0.020 1 914 84 84 ASN HB2 H 3.282 0.020 2 915 84 84 ASN HB3 H 2.681 0.020 2 916 84 84 ASN C C 175.205 0.3 1 917 84 84 ASN CA C 54.231 0.3 1 918 84 84 ASN CB C 37.759 0.3 1 919 84 84 ASN N N 115.440 0.3 1 920 85 85 LEU H H 7.935 0.020 1 921 85 85 LEU HA H 4.765 0.020 1 922 85 85 LEU HB2 H 1.634 0.020 1 923 85 85 LEU HB3 H 1.634 0.020 1 924 85 85 LEU HG H 1.533 0.020 1 925 85 85 LEU HD1 H 0.883 0.020 1 926 85 85 LEU HD2 H 0.883 0.020 1 927 85 85 LEU C C 177.665 0.3 1 928 85 85 LEU CA C 53.435 0.3 1 929 85 85 LEU CB C 39.051 0.3 1 930 85 85 LEU CG C 26.585 0.3 1 931 85 85 LEU CD1 C 22.907 0.3 1 932 85 85 LEU CD2 C 20.818 0.3 1 933 85 85 LEU N N 122.825 0.3 1 934 86 86 LEU H H 7.323 0.020 1 935 86 86 LEU HA H 3.754 0.020 1 936 86 86 LEU HB2 H 1.544 0.020 1 937 86 86 LEU HB3 H 1.544 0.020 1 938 86 86 LEU HG H 1.754 0.020 1 939 86 86 LEU HD1 H 0.956 0.020 1 940 86 86 LEU C C 179.375 0.3 1 941 86 86 LEU CA C 57.836 0.3 1 942 86 86 LEU CB C 40.609 0.3 1 943 86 86 LEU N N 117.348 0.3 1 944 87 87 GLU H H 8.741 0.020 1 945 87 87 GLU HA H 4.227 0.020 1 946 87 87 GLU HB2 H 2.085 0.020 1 947 87 87 GLU HB3 H 2.085 0.020 1 948 87 87 GLU HG2 H 2.344 0.020 1 949 87 87 GLU HG3 H 2.344 0.020 1 950 87 87 GLU C C 179.279 0.3 1 951 87 87 GLU CA C 59.728 0.3 1 952 87 87 GLU CB C 28.730 0.3 1 953 87 87 GLU CG C 36.734 0.3 1 954 87 87 GLU N N 120.466 0.3 1 955 88 88 LEU H H 7.702 0.020 1 956 88 88 LEU HA H 4.281 0.020 1 957 88 88 LEU HB2 H 1.762 0.020 2 958 88 88 LEU HB3 H 1.525 0.020 2 959 88 88 LEU HG H 1.546 0.020 1 960 88 88 LEU HD1 H 0.836 0.020 2 961 88 88 LEU HD2 H 0.878 0.020 2 962 88 88 LEU C C 178.998 0.3 1 963 88 88 LEU CA C 57.350 0.3 1 964 88 88 LEU CB C 42.313 0.3 1 965 88 88 LEU CG C 26.689 0.3 1 966 88 88 LEU CD1 C 24.837 0.3 1 967 88 88 LEU CD2 C 24.837 0.3 1 968 88 88 LEU N N 120.482 0.3 1 969 89 89 VAL H H 7.802 0.020 1 970 89 89 VAL HA H 4.207 0.020 1 971 89 89 VAL HB H 2.177 0.020 1 972 89 89 VAL HG1 H 0.894 0.020 2 973 89 89 VAL HG2 H 0.951 0.020 2 974 89 89 VAL C C 178.577 0.3 1 975 89 89 VAL CA C 66.610 0.3 1 976 89 89 VAL CB C 31.558 0.3 1 977 89 89 VAL CG1 C 23.773 0.3 1 978 89 89 VAL CG2 C 20.986 0.3 1 979 89 89 VAL N N 118.614 0.3 1 980 90 90 ASP H H 8.162 0.020 1 981 90 90 ASP HA H 4.347 0.020 1 982 90 90 ASP HB2 H 2.731 0.020 1 983 90 90 ASP HB3 H 2.731 0.020 1 984 90 90 ASP C C 178.770 0.3 1 985 90 90 ASP CA C 57.654 0.3 1 986 90 90 ASP CB C 40.849 0.3 1 987 90 90 ASP N N 120.623 0.3 1 988 91 91 GLN H H 7.930 0.020 1 989 91 91 GLN HA H 4.141 0.020 1 990 91 91 GLN HB2 H 2.316 0.020 2 991 91 91 GLN HB3 H 2.202 0.020 2 992 91 91 GLN HG2 H 2.398 0.020 1 993 91 91 GLN HG3 H 2.398 0.020 1 994 91 91 GLN C C 178.528 0.3 1 995 91 91 GLN CA C 58.852 0.3 1 996 91 91 GLN CB C 29.362 0.3 1 997 91 91 GLN CG C 34.148 0.3 1 998 91 91 GLN N N 117.868 0.3 1 999 92 92 LEU H H 8.509 0.020 1 1000 92 92 LEU HA H 4.278 0.020 1 1001 92 92 LEU HB2 H 1.720 0.020 1 1002 92 92 LEU HB3 H 1.720 0.020 1 1003 92 92 LEU HG H 1.660 0.020 1 1004 92 92 LEU HD1 H 0.847 0.020 2 1005 92 92 LEU HD2 H 0.899 0.020 2 1006 92 92 LEU C C 178.259 0.3 1 1007 92 92 LEU CA C 57.019 0.3 1 1008 92 92 LEU CB C 42.144 0.3 1 1009 92 92 LEU CG C 27.002 0.3 1 1010 92 92 LEU CD1 C 24.500 0.3 1 1011 92 92 LEU CD2 C 24.400 0.3 1 1012 92 92 LEU N N 118.709 0.3 1 1013 93 93 SER H H 8.302 0.020 1 1014 93 93 SER HA H 4.048 0.020 1 1015 93 93 SER HB2 H 3.872 0.020 1 1016 93 93 SER HB3 H 3.872 0.020 1 1017 93 93 SER C C 178.727 0.3 1 1018 93 93 SER CA C 61.861 0.3 1 1019 93 93 SER CB C 62.775 0.3 1 1020 93 93 SER N N 114.044 0.3 1 1021 94 94 HIS H H 7.751 0.020 1 1022 94 94 HIS HA H 4.296 0.020 1 1023 94 94 HIS HB2 H 3.265 0.020 2 1024 94 94 HIS HB3 H 3.152 0.020 2 1025 94 94 HIS C C 176.652 0.3 1 1026 94 94 HIS CA C 58.270 0.3 1 1027 94 94 HIS CB C 30.046 0.3 1 1028 94 94 HIS N N 119.008 0.3 1 1029 95 95 ILE H H 7.532 0.020 1 1030 95 95 ILE HA H 3.956 0.020 1 1031 95 95 ILE HB H 1.909 0.020 1 1032 95 95 ILE HG12 H 1.448 0.020 2 1033 95 95 ILE HG13 H 1.217 0.020 2 1034 95 95 ILE HG2 H 0.862 0.020 1 1035 95 95 ILE HD1 H 0.696 0.020 1 1036 95 95 ILE CA C 62.507 0.3 1 1037 95 95 ILE CB C 38.357 0.3 1 1038 95 95 ILE CG1 C 27.980 0.3 1 1039 95 95 ILE CG2 C 17.635 0.3 1 1040 95 95 ILE CD1 C 13.756 0.3 1 1041 95 95 ILE N N 117.063 0.3 1 1042 96 96 CYS H H 7.870 0.020 1 1043 96 96 CYS HA H 4.414 0.020 1 1044 96 96 CYS HB2 H 2.878 0.020 2 1045 96 96 CYS HB3 H 2.825 0.020 2 1046 96 96 CYS C C 174.595 0.3 1 1047 96 96 CYS CA C 59.861 0.3 1 1048 96 96 CYS CB C 28.219 0.3 1 1049 96 96 CYS N N 117.638 0.3 1 1050 97 97 LEU H H 7.986 0.020 1 1051 97 97 LEU HA H 4.296 0.020 1 1052 97 97 LEU HB2 H 1.565 0.020 1 1053 97 97 LEU HB3 H 1.565 0.020 1 1054 97 97 LEU C C 177.004 0.3 1 1055 97 97 LEU CA C 55.225 0.3 1 1056 97 97 LEU CB C 42.053 0.3 1 1057 97 97 LEU N N 122.243 0.3 1 1058 98 98 HIS HA H 4.198 0.020 1 1059 98 98 HIS HB2 H 3.291 0.020 2 1060 98 98 HIS HB3 H 3.109 0.020 2 1061 98 98 HIS C C 177.968 0.3 1 1062 98 98 HIS CA C 61.522 0.3 1 1063 98 98 HIS CB C 30.046 0.3 1 1064 99 99 ASP H H 8.462 0.020 1 1065 99 99 ASP HA H 3.935 0.020 1 1066 99 99 ASP HB2 H 2.597 0.020 2 1067 99 99 ASP HB3 H 2.483 0.020 2 1068 99 99 ASP C C 178.067 0.3 1 1069 99 99 ASP CA C 57.114 0.3 1 1070 99 99 ASP CB C 41.880 0.3 1 1071 99 99 ASP N N 118.512 0.3 1 1072 100 100 TYR HA H 4.473 0.020 1 1073 100 100 TYR HB2 H 2.995 0.020 1 1074 100 100 TYR HB3 H 2.995 0.020 1 1075 100 100 TYR C C 175.347 0.3 1 1076 100 100 TYR CA C 58.119 0.3 1 1077 100 100 TYR CB C 38.464 0.3 1 1078 101 101 ARG H H 8.041 0.020 1 1079 101 101 ARG HA H 4.275 0.020 1 1080 101 101 ARG HB2 H 1.808 0.020 2 1081 101 101 ARG HB3 H 1.686 0.020 2 1082 101 101 ARG HG2 H 1.546 0.020 1 1083 101 101 ARG HG3 H 1.546 0.020 1 1084 101 101 ARG HD2 H 3.161 0.020 1 1085 101 101 ARG HD3 H 3.161 0.020 1 1086 101 101 ARG C C 174.938 0.3 1 1087 101 101 ARG CA C 55.750 0.3 1 1088 101 101 ARG CB C 31.065 0.3 1 1089 101 101 ARG CG C 26.749 0.3 1 1090 101 101 ARG CD C 43.182 0.3 1 1091 101 101 ARG N N 123.612 0.3 1 1092 102 102 GLU H H 7.926 0.020 1 1093 102 102 GLU HA H 4.042 0.020 1 1094 102 102 GLU HB2 H 2.149 0.020 2 1095 102 102 GLU HB3 H 1.943 0.020 2 1096 102 102 GLU HG2 H 2.205 0.020 2 1097 102 102 GLU HG3 H 2.033 0.020 2 1098 102 102 GLU C C 181.062 0.3 1 1099 102 102 GLU CA C 57.967 0.3 1 1100 102 102 GLU CB C 31.018 0.3 1 1101 102 102 GLU CG C 34.519 0.3 1 1102 102 102 GLU N N 126.910 0.3 1 stop_ save_