data_27688 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical Shift Assignments for Interleukin-36beta isoform-2 ; _BMRB_accession_number 27688 _BMRB_flat_file_name bmr27688.str _Entry_type original _Submission_date 2018-11-09 _Accession_date 2018-11-09 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ohlenschlaeger Oliver . . 2 Kumar Amit . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 813 "13C chemical shifts" 646 "15N chemical shifts" 156 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-04-25 original BMRB . stop_ _Original_release_date 2018-11-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; (1)H, (13)C, and (15)N resonance assignments of the cytokine interleukin-36beta isoform-2 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30758717 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kumar Amit . . 2 Wissbrock Amelie . . 3 Bellstedt Peter . . 4 Lang Andras . . 5 Ramachandran Ramadurai . . 6 Wiedemann Christoph . . 7 Imhof Diana . . 8 Ohlenschlaeger Oliver . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 13 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 155 _Page_last 161 _Year 2019 _Details . loop_ _Keyword Cytokines 'Heteronuclear NMR' 'Interleukin-1 superfamily' Interleukin-36beta 'Resonance assignments' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name IL36B2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label IL36B2 $IL36B2 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_IL36B2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common IL36B2 _Molecular_mass 17231.86 _Mol_thiol_state 'all free' loop_ _Biological_function Cytokine stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 153 _Mol_residue_sequence ; REAAPKSYAIRDSRQMVWVL SGNSLIAAPLSRSIKPVTLH LIACRDTEFSDKEKGNMVYL GIKGKDLCLFCAEIQGKPTL QLKEKNIMDLYVEKKAQKPF LFFHNKEGSTSVFQSVSYPG WFIATSTTSGQPIFLTKERG ITNNTNFYLDSVE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ARG 2 2 GLU 3 3 ALA 4 4 ALA 5 5 PRO 6 6 LYS 7 7 SER 8 8 TYR 9 9 ALA 10 10 ILE 11 11 ARG 12 12 ASP 13 13 SER 14 14 ARG 15 15 GLN 16 16 MET 17 17 VAL 18 18 TRP 19 19 VAL 20 20 LEU 21 21 SER 22 22 GLY 23 23 ASN 24 24 SER 25 25 LEU 26 26 ILE 27 27 ALA 28 28 ALA 29 29 PRO 30 30 LEU 31 31 SER 32 32 ARG 33 33 SER 34 34 ILE 35 35 LYS 36 36 PRO 37 37 VAL 38 38 THR 39 39 LEU 40 40 HIS 41 41 LEU 42 42 ILE 43 43 ALA 44 44 CYS 45 45 ARG 46 46 ASP 47 47 THR 48 48 GLU 49 49 PHE 50 50 SER 51 51 ASP 52 52 LYS 53 53 GLU 54 54 LYS 55 55 GLY 56 56 ASN 57 57 MET 58 58 VAL 59 59 TYR 60 60 LEU 61 61 GLY 62 62 ILE 63 63 LYS 64 64 GLY 65 65 LYS 66 66 ASP 67 67 LEU 68 68 CYS 69 69 LEU 70 70 PHE 71 71 CYS 72 72 ALA 73 73 GLU 74 74 ILE 75 75 GLN 76 76 GLY 77 77 LYS 78 78 PRO 79 79 THR 80 80 LEU 81 81 GLN 82 82 LEU 83 83 LYS 84 84 GLU 85 85 LYS 86 86 ASN 87 87 ILE 88 88 MET 89 89 ASP 90 90 LEU 91 91 TYR 92 92 VAL 93 93 GLU 94 94 LYS 95 95 LYS 96 96 ALA 97 97 GLN 98 98 LYS 99 99 PRO 100 100 PHE 101 101 LEU 102 102 PHE 103 103 PHE 104 104 HIS 105 105 ASN 106 106 LYS 107 107 GLU 108 108 GLY 109 109 SER 110 110 THR 111 111 SER 112 112 VAL 113 113 PHE 114 114 GLN 115 115 SER 116 116 VAL 117 117 SER 118 118 TYR 119 119 PRO 120 120 GLY 121 121 TRP 122 122 PHE 123 123 ILE 124 124 ALA 125 125 THR 126 126 SER 127 127 THR 128 128 THR 129 129 SER 130 130 GLY 131 131 GLN 132 132 PRO 133 133 ILE 134 134 PHE 135 135 LEU 136 136 THR 137 137 LYS 138 138 GLU 139 139 ARG 140 140 GLY 141 141 ILE 142 142 THR 143 143 ASN 144 144 ASN 145 145 THR 146 146 ASN 147 147 PHE 148 148 TYR 149 149 LEU 150 150 ASP 151 151 SER 152 152 VAL 153 153 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UNP Q9NZH7 IL36B_HUMAN . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $IL36B2 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 $IL36B2 'recombinant technology' . Escherichia coli . pET-45b 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 $IL36B2 1 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $IL36B2 1 mM '[U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $IL36B2 1 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CcpNMR _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . 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 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _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_2 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 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' 0 . M pH 7.2 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $TOPSPIN $CcpNMR stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_2 $sample_1 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name IL36B2 _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 ARG HA H 3.743 0.020 1 2 1 1 ARG HB2 H 1.735 0.020 2 3 1 1 ARG HG2 H 1.521 0.020 2 4 1 1 ARG HD2 H 3.071 0.020 2 5 1 1 ARG CA C 55.619 0.300 1 6 1 1 ARG CB C 31.645 0.300 1 7 1 1 ARG CG C 26.243 0.300 1 8 1 1 ARG CD C 43.142 0.300 1 9 2 2 GLU HA H 4.205 0.020 1 10 2 2 GLU HB2 H 1.942 0.020 2 11 2 2 GLU HB3 H 1.734 0.020 2 12 2 2 GLU HG2 H 2.197 0.020 2 13 2 2 GLU CA C 56.067 0.300 1 14 2 2 GLU CB C 30.354 0.300 1 15 2 2 GLU CG C 36.072 0.300 1 16 3 3 ALA H H 8.336 0.020 1 17 3 3 ALA HA H 4.065 0.020 1 18 3 3 ALA HB H 1.123 0.020 1 19 3 3 ALA C C 175.703 0.300 1 20 3 3 ALA CA C 52.219 0.300 1 21 3 3 ALA CB C 19.533 0.300 1 22 3 3 ALA N N 124.976 0.300 1 23 4 4 ALA H H 7.693 0.020 1 24 4 4 ALA HA H 4.437 0.020 1 25 4 4 ALA HB H 1.120 0.020 1 26 4 4 ALA C C 173.965 0.300 1 27 4 4 ALA CA C 49.534 0.300 1 28 4 4 ALA CB C 19.622 0.300 1 29 4 4 ALA N N 121.291 0.300 1 30 5 5 PRO HA H 4.128 0.020 1 31 5 5 PRO HB2 H 1.490 0.020 2 32 5 5 PRO HB3 H 1.110 0.020 2 33 5 5 PRO HG2 H 1.053 0.020 2 34 5 5 PRO HD2 H 3.110 0.020 2 35 5 5 PRO HD3 H 3.561 0.020 2 36 5 5 PRO C C 176.092 0.300 1 37 5 5 PRO CA C 61.906 0.300 1 38 5 5 PRO CB C 31.828 0.300 1 39 5 5 PRO CG C 26.603 0.300 1 40 5 5 PRO CD C 50.204 0.300 1 41 6 6 LYS H H 8.561 0.020 1 42 6 6 LYS HA H 4.286 0.020 1 43 6 6 LYS HB2 H 1.670 0.020 2 44 6 6 LYS HB3 H 1.526 0.020 2 45 6 6 LYS HG2 H 1.484 0.020 2 46 6 6 LYS HG3 H 1.357 0.020 2 47 6 6 LYS HD2 H 1.639 0.020 2 48 6 6 LYS HE2 H 2.893 0.020 2 49 6 6 LYS C C 175.790 0.300 1 50 6 6 LYS CA C 55.252 0.300 1 51 6 6 LYS CB C 34.618 0.300 1 52 6 6 LYS CG C 25.323 0.300 1 53 6 6 LYS CD C 28.609 0.300 1 54 6 6 LYS CE C 42.076 0.300 1 55 6 6 LYS N N 121.592 0.300 1 56 7 7 SER H H 7.987 0.020 1 57 7 7 SER HA H 5.450 0.020 1 58 7 7 SER HB2 H 3.583 0.020 2 59 7 7 SER HB3 H 3.205 0.020 2 60 7 7 SER C C 173.652 0.300 1 61 7 7 SER CA C 57.375 0.300 1 62 7 7 SER CB C 64.838 0.300 1 63 7 7 SER N N 116.659 0.300 1 64 8 8 TYR H H 9.122 0.020 1 65 8 8 TYR HA H 5.186 0.020 1 66 8 8 TYR HB2 H 2.814 0.020 2 67 8 8 TYR HB3 H 2.088 0.020 2 68 8 8 TYR C C 174.769 0.300 1 69 8 8 TYR CA C 56.945 0.300 1 70 8 8 TYR CB C 43.502 0.300 1 71 8 8 TYR N N 121.359 0.300 1 72 9 9 ALA H H 9.064 0.020 1 73 9 9 ALA HA H 4.638 0.020 1 74 9 9 ALA HB H 1.332 0.020 1 75 9 9 ALA C C 176.279 0.300 1 76 9 9 ALA CA C 51.571 0.300 1 77 9 9 ALA CB C 19.838 0.300 1 78 9 9 ALA N N 126.656 0.300 1 79 10 10 ILE H H 7.620 0.020 1 80 10 10 ILE HA H 5.080 0.020 1 81 10 10 ILE HB H 0.663 0.020 1 82 10 10 ILE HG12 H -0.093 0.020 2 83 10 10 ILE HG13 H 0.807 0.020 2 84 10 10 ILE HG2 H -0.273 0.020 1 85 10 10 ILE HD1 H -0.645 0.020 1 86 10 10 ILE C C 172.750 0.300 1 87 10 10 ILE CA C 59.269 0.300 1 88 10 10 ILE CB C 40.485 0.300 1 89 10 10 ILE CG1 C 28.810 0.300 1 90 10 10 ILE CG2 C 13.771 0.300 1 91 10 10 ILE CD1 C 13.662 0.300 1 92 10 10 ILE N N 118.738 0.300 1 93 11 11 ARG H H 8.112 0.020 1 94 11 11 ARG HA H 5.461 0.020 1 95 11 11 ARG HB2 H 1.438 0.020 2 96 11 11 ARG HB3 H 1.782 0.020 2 97 11 11 ARG HG2 H 1.706 0.020 2 98 11 11 ARG HG3 H 1.417 0.020 2 99 11 11 ARG HD2 H 2.865 0.020 2 100 11 11 ARG HD3 H 2.970 0.020 2 101 11 11 ARG C C 174.928 0.300 1 102 11 11 ARG CA C 53.664 0.300 1 103 11 11 ARG CB C 34.099 0.300 1 104 11 11 ARG CG C 26.684 0.300 1 105 11 11 ARG CD C 43.286 0.300 1 106 11 11 ARG N N 122.276 0.300 1 107 12 12 ASP H H 8.228 0.020 1 108 12 12 ASP HA H 5.230 0.020 1 109 12 12 ASP HB2 H 2.815 0.020 2 110 12 12 ASP HB3 H 3.102 0.020 2 111 12 12 ASP C C 178.788 0.300 1 112 12 12 ASP CA C 52.264 0.300 1 113 12 12 ASP CB C 44.194 0.300 1 114 12 12 ASP N N 119.754 0.300 1 115 13 13 SER H H 8.559 0.020 1 116 13 13 SER HA H 4.111 0.020 1 117 13 13 SER HB2 H 3.983 0.020 2 118 13 13 SER HB3 H 3.897 0.020 2 119 13 13 SER C C 175.330 0.300 1 120 13 13 SER CA C 60.809 0.300 1 121 13 13 SER CB C 62.766 0.300 1 122 13 13 SER N N 112.777 0.300 1 123 14 14 ARG H H 8.404 0.020 1 124 14 14 ARG HA H 4.373 0.020 1 125 14 14 ARG HB2 H 1.999 0.020 2 126 14 14 ARG HB3 H 1.733 0.020 2 127 14 14 ARG HG2 H 1.531 0.020 2 128 14 14 ARG HG3 H 1.460 0.020 2 129 14 14 ARG HD2 H 3.134 0.020 2 130 14 14 ARG C C 175.227 0.300 1 131 14 14 ARG CA C 55.521 0.300 1 132 14 14 ARG CB C 29.371 0.300 1 133 14 14 ARG CG C 28.323 0.300 1 134 14 14 ARG CD C 43.044 0.300 1 135 14 14 ARG N N 122.874 0.300 1 136 15 15 GLN H H 8.079 0.020 1 137 15 15 GLN HA H 3.631 0.020 1 138 15 15 GLN HB2 H 2.321 0.020 2 139 15 15 GLN HB3 H 2.286 0.020 2 140 15 15 GLN HG2 H 2.242 0.020 2 141 15 15 GLN HG3 H 2.088 0.020 2 142 15 15 GLN HE21 H 7.242 0.020 2 143 15 15 GLN HE22 H 6.539 0.020 2 144 15 15 GLN C C 175.190 0.300 1 145 15 15 GLN CA C 56.755 0.300 1 146 15 15 GLN CB C 25.314 0.300 1 147 15 15 GLN CG C 33.390 0.300 1 148 15 15 GLN CD C 180.458 0.300 1 149 15 15 GLN N N 110.976 0.300 1 150 15 15 GLN NE2 N 111.597 0.300 1 151 16 16 MET H H 8.594 0.020 1 152 16 16 MET HA H 4.296 0.020 1 153 16 16 MET HB2 H 2.836 0.020 2 154 16 16 MET HB3 H 1.418 0.020 2 155 16 16 MET HG2 H 2.554 0.020 2 156 16 16 MET HG3 H 1.913 0.020 2 157 16 16 MET HE H 1.988 0.020 1 158 16 16 MET C C 176.460 0.300 1 159 16 16 MET CA C 57.045 0.300 1 160 16 16 MET CB C 33.312 0.300 1 161 16 16 MET CG C 33.291 0.300 1 162 16 16 MET CE C 17.605 0.300 1 163 16 16 MET N N 118.844 0.300 1 164 17 17 VAL H H 8.747 0.020 1 165 17 17 VAL HA H 5.027 0.020 1 166 17 17 VAL HB H 2.587 0.020 1 167 17 17 VAL HG1 H 0.782 0.020 2 168 17 17 VAL HG2 H 0.960 0.020 2 169 17 17 VAL C C 174.863 0.300 1 170 17 17 VAL CA C 58.831 0.300 1 171 17 17 VAL CB C 33.269 0.300 1 172 17 17 VAL CG1 C 18.315 0.300 1 173 17 17 VAL CG2 C 22.255 0.300 1 174 17 17 VAL N N 117.030 0.300 1 175 18 18 TRP H H 8.161 0.020 1 176 18 18 TRP HA H 5.472 0.020 1 177 18 18 TRP HB2 H 3.006 0.020 2 178 18 18 TRP HB3 H 2.626 0.020 2 179 18 18 TRP C C 175.859 0.300 1 180 18 18 TRP CA C 55.512 0.300 1 181 18 18 TRP CB C 29.506 0.300 1 182 18 18 TRP N N 120.801 0.300 1 183 19 19 VAL H H 9.245 0.020 1 184 19 19 VAL HA H 4.225 0.020 1 185 19 19 VAL HB H 1.692 0.020 1 186 19 19 VAL HG1 H 0.761 0.020 2 187 19 19 VAL HG2 H 0.739 0.020 2 188 19 19 VAL C C 173.891 0.300 1 189 19 19 VAL CA C 61.341 0.300 1 190 19 19 VAL CB C 36.475 0.300 1 191 19 19 VAL CG1 C 21.200 0.300 1 192 19 19 VAL CG2 C 22.129 0.300 1 193 19 19 VAL N N 122.409 0.300 1 194 20 20 LEU H H 8.503 0.020 1 195 20 20 LEU HA H 4.581 0.020 1 196 20 20 LEU HB2 H 1.039 0.020 2 197 20 20 LEU HB3 H 1.675 0.020 2 198 20 20 LEU HG H 1.310 0.020 1 199 20 20 LEU HD1 H 0.546 0.020 2 200 20 20 LEU HD2 H 0.658 0.020 2 201 20 20 LEU C C 175.943 0.300 1 202 20 20 LEU CA C 54.160 0.300 1 203 20 20 LEU CB C 42.779 0.300 1 204 20 20 LEU CG C 26.880 0.300 1 205 20 20 LEU CD1 C 24.281 0.300 1 206 20 20 LEU CD2 C 25.791 0.300 1 207 20 20 LEU N N 126.813 0.300 1 208 21 21 SER H H 8.732 0.020 1 209 21 21 SER HA H 4.497 0.020 1 210 21 21 SER HB2 H 3.226 0.020 2 211 21 21 SER HB3 H 3.551 0.020 2 212 21 21 SER C C 174.915 0.300 1 213 21 21 SER CA C 55.641 0.300 1 214 21 21 SER CB C 63.123 0.300 1 215 21 21 SER N N 122.608 0.300 1 216 22 22 GLY H H 8.908 0.020 1 217 22 22 GLY HA2 H 3.854 0.020 2 218 22 22 GLY HA3 H 3.493 0.020 2 219 22 22 GLY C C 173.913 0.300 1 220 22 22 GLY CA C 47.272 0.300 1 221 22 22 GLY N N 118.548 0.300 1 222 23 23 ASN H H 8.600 0.020 1 223 23 23 ASN HA H 4.641 0.020 1 224 23 23 ASN HB2 H 2.633 0.020 2 225 23 23 ASN HB3 H 2.820 0.020 2 226 23 23 ASN HD21 H 7.419 0.020 2 227 23 23 ASN HD22 H 6.676 0.020 2 228 23 23 ASN C C 173.772 0.300 1 229 23 23 ASN CA C 52.345 0.300 1 230 23 23 ASN CB C 38.422 0.300 1 231 23 23 ASN CG C 177.641 0.300 1 232 23 23 ASN N N 124.877 0.300 1 233 23 23 ASN ND2 N 111.069 0.300 1 234 24 24 SER H H 7.738 0.020 1 235 24 24 SER HA H 4.583 0.020 1 236 24 24 SER HB2 H 3.672 0.020 2 237 24 24 SER HB3 H 3.704 0.020 2 238 24 24 SER C C 171.672 0.300 1 239 24 24 SER CA C 57.125 0.300 1 240 24 24 SER CB C 65.618 0.300 1 241 24 24 SER N N 114.004 0.300 1 242 25 25 LEU H H 8.325 0.020 1 243 25 25 LEU HA H 4.898 0.020 1 244 25 25 LEU HB2 H 1.124 0.020 2 245 25 25 LEU HB3 H 0.973 0.020 2 246 25 25 LEU HG H 1.233 0.020 1 247 25 25 LEU HD1 H 0.551 0.020 2 248 25 25 LEU HD2 H 0.541 0.020 2 249 25 25 LEU C C 176.327 0.300 1 250 25 25 LEU CA C 53.471 0.300 1 251 25 25 LEU CB C 44.144 0.300 1 252 25 25 LEU CG C 26.503 0.300 1 253 25 25 LEU CD1 C 24.870 0.300 1 254 25 25 LEU CD2 C 25.286 0.300 1 255 25 25 LEU N N 123.524 0.300 1 256 26 26 ILE H H 8.989 0.020 1 257 26 26 ILE HA H 4.773 0.020 1 258 26 26 ILE HB H 1.314 0.020 1 259 26 26 ILE HG12 H 1.013 0.020 2 260 26 26 ILE HG13 H 0.775 0.020 2 261 26 26 ILE HG2 H 0.503 0.020 1 262 26 26 ILE HD1 H 0.559 0.020 1 263 26 26 ILE C C 173.417 0.300 1 264 26 26 ILE CA C 58.877 0.300 1 265 26 26 ILE CB C 42.234 0.300 1 266 26 26 ILE CG1 C 26.468 0.300 1 267 26 26 ILE CG2 C 16.942 0.300 1 268 26 26 ILE CD1 C 13.928 0.300 1 269 26 26 ILE N N 120.229 0.300 1 270 27 27 ALA H H 7.291 0.020 1 271 27 27 ALA HA H 5.814 0.020 1 272 27 27 ALA HB H 1.326 0.020 1 273 27 27 ALA C C 177.177 0.300 1 274 27 27 ALA CA C 49.960 0.300 1 275 27 27 ALA CB C 20.853 0.300 1 276 27 27 ALA N N 120.695 0.300 1 277 28 28 ALA H H 9.203 0.020 1 278 28 28 ALA HA H 4.834 0.020 1 279 28 28 ALA HB H 1.177 0.020 1 280 28 28 ALA C C 172.799 0.300 1 281 28 28 ALA CA C 50.446 0.300 1 282 28 28 ALA CB C 20.840 0.300 1 283 28 28 ALA N N 127.560 0.300 1 284 29 29 PRO HA H 4.591 0.020 1 285 29 29 PRO HB2 H 1.729 0.020 2 286 29 29 PRO HB3 H 2.269 0.020 2 287 29 29 PRO HG2 H 1.873 0.020 2 288 29 29 PRO HG3 H 2.006 0.020 2 289 29 29 PRO HD2 H 3.654 0.020 2 290 29 29 PRO HD3 H 3.755 0.020 2 291 29 29 PRO C C 175.897 0.300 1 292 29 29 PRO CA C 62.515 0.300 1 293 29 29 PRO CB C 31.990 0.300 1 294 29 29 PRO CG C 27.720 0.300 1 295 29 29 PRO CD C 50.721 0.300 1 296 30 30 LEU H H 8.614 0.020 1 297 30 30 LEU HA H 3.897 0.020 1 298 30 30 LEU HB2 H 1.469 0.020 2 299 30 30 LEU HB3 H 1.606 0.020 2 300 30 30 LEU HG H 1.600 0.020 1 301 30 30 LEU HD1 H 0.800 0.020 2 302 30 30 LEU HD2 H 0.860 0.020 2 303 30 30 LEU C C 176.457 0.300 1 304 30 30 LEU CA C 56.401 0.300 1 305 30 30 LEU CB C 42.077 0.300 1 306 30 30 LEU CG C 26.889 0.300 1 307 30 30 LEU CD1 C 25.164 0.300 1 308 30 30 LEU CD2 C 24.196 0.300 1 309 30 30 LEU N N 122.233 0.300 1 310 31 31 SER H H 7.513 0.020 1 311 31 31 SER HA H 4.559 0.020 1 312 31 31 SER HB2 H 3.723 0.020 2 313 31 31 SER HB3 H 4.007 0.020 2 314 31 31 SER C C 174.394 0.300 1 315 31 31 SER CA C 56.940 0.300 1 316 31 31 SER CB C 65.104 0.300 1 317 31 31 SER N N 118.345 0.300 1 318 32 32 ARG H H 7.735 0.020 1 319 32 32 ARG HA H 4.144 0.020 1 320 32 32 ARG HB2 H 1.791 0.020 2 321 32 32 ARG HG2 H 1.604 0.020 2 322 32 32 ARG HD2 H 3.089 0.020 2 323 32 32 ARG C C 177.074 0.300 1 324 32 32 ARG CA C 58.119 0.300 1 325 32 32 ARG CB C 29.802 0.300 1 326 32 32 ARG CG C 27.021 0.300 1 327 32 32 ARG CD C 43.097 0.300 1 328 32 32 ARG N N 130.596 0.300 1 329 33 33 SER H H 8.075 0.020 1 330 33 33 SER HA H 4.325 0.020 1 331 33 33 SER HB2 H 3.753 0.020 2 332 33 33 SER C C 173.708 0.300 1 333 33 33 SER CA C 58.866 0.300 1 334 33 33 SER CB C 63.570 0.300 1 335 33 33 SER N N 112.414 0.300 1 336 34 34 ILE H H 7.216 0.020 1 337 34 34 ILE HA H 4.303 0.020 1 338 34 34 ILE HB H 1.773 0.020 1 339 34 34 ILE HG12 H 1.107 0.020 2 340 34 34 ILE HG13 H 1.346 0.020 2 341 34 34 ILE HG2 H 0.673 0.020 1 342 34 34 ILE HD1 H 0.664 0.020 1 343 34 34 ILE C C 174.242 0.300 1 344 34 34 ILE CA C 59.015 0.300 1 345 34 34 ILE CB C 40.345 0.300 1 346 34 34 ILE CG1 C 26.605 0.300 1 347 34 34 ILE CG2 C 18.765 0.300 1 348 34 34 ILE CD1 C 13.051 0.300 1 349 34 34 ILE N N 119.165 0.300 1 350 35 35 LYS H H 8.186 0.020 1 351 35 35 LYS HA H 4.766 0.020 1 352 35 35 LYS HB2 H 1.606 0.020 2 353 35 35 LYS HB3 H 1.702 0.020 2 354 35 35 LYS HG2 H 1.286 0.020 2 355 35 35 LYS HG3 H 1.331 0.020 2 356 35 35 LYS HD2 H 1.555 0.020 2 357 35 35 LYS HE2 H 2.885 0.020 2 358 35 35 LYS C C 173.478 0.300 1 359 35 35 LYS CA C 52.258 0.300 1 360 35 35 LYS CB C 32.879 0.300 1 361 35 35 LYS CG C 25.166 0.300 1 362 35 35 LYS CD C 28.911 0.300 1 363 35 35 LYS CE C 42.002 0.300 1 364 35 35 LYS N N 125.043 0.300 1 365 36 36 PRO HA H 4.603 0.020 1 366 36 36 PRO HB2 H 2.053 0.020 2 367 36 36 PRO HB3 H 2.178 0.020 2 368 36 36 PRO HG2 H 1.832 0.020 2 369 36 36 PRO HG3 H 2.011 0.020 2 370 36 36 PRO HD2 H 3.724 0.020 2 371 36 36 PRO C C 177.656 0.300 1 372 36 36 PRO CA C 62.176 0.300 1 373 36 36 PRO CB C 32.539 0.300 1 374 36 36 PRO CG C 27.307 0.300 1 375 36 36 PRO CD C 50.761 0.300 1 376 37 37 VAL H H 8.771 0.020 1 377 37 37 VAL HA H 4.012 0.020 1 378 37 37 VAL HB H 1.991 0.020 1 379 37 37 VAL HG1 H 0.891 0.020 2 380 37 37 VAL HG2 H 0.813 0.020 2 381 37 37 VAL C C 175.777 0.300 1 382 37 37 VAL CA C 61.921 0.300 1 383 37 37 VAL CB C 33.138 0.300 1 384 37 37 VAL CG1 C 22.390 0.300 1 385 37 37 VAL CG2 C 21.375 0.300 1 386 37 37 VAL N N 121.351 0.300 1 387 38 38 THR H H 8.511 0.020 1 388 38 38 THR HA H 4.366 0.020 1 389 38 38 THR HB H 3.730 0.020 1 390 38 38 THR HG2 H 0.868 0.020 1 391 38 38 THR C C 172.564 0.300 1 392 38 38 THR CA C 61.885 0.300 1 393 38 38 THR CB C 69.207 0.300 1 394 38 38 THR CG2 C 22.745 0.300 1 395 38 38 THR N N 122.611 0.300 1 396 39 39 LEU H H 9.227 0.020 1 397 39 39 LEU HA H 4.660 0.020 1 398 39 39 LEU HB2 H 1.501 0.020 2 399 39 39 LEU HB3 H 1.131 0.020 2 400 39 39 LEU HG H 1.355 0.020 1 401 39 39 LEU HD1 H 0.414 0.020 2 402 39 39 LEU HD2 H 0.466 0.020 2 403 39 39 LEU C C 176.315 0.300 1 404 39 39 LEU CA C 53.796 0.300 1 405 39 39 LEU CB C 44.758 0.300 1 406 39 39 LEU CG C 26.871 0.300 1 407 39 39 LEU CD1 C 24.651 0.300 1 408 39 39 LEU CD2 C 24.520 0.300 1 409 39 39 LEU N N 128.846 0.300 1 410 40 40 HIS H H 8.971 0.020 1 411 40 40 HIS HA H 5.514 0.020 1 412 40 40 HIS HB2 H 2.539 0.020 2 413 40 40 HIS HB3 H 2.598 0.020 2 414 40 40 HIS C C 174.269 0.300 1 415 40 40 HIS CA C 52.445 0.300 1 416 40 40 HIS CB C 34.844 0.300 1 417 40 40 HIS N N 122.911 0.300 1 418 41 41 LEU H H 8.639 0.020 1 419 41 41 LEU HA H 5.314 0.020 1 420 41 41 LEU HB2 H 1.513 0.020 2 421 41 41 LEU HB3 H 1.424 0.020 2 422 41 41 LEU HG H 1.513 0.020 1 423 41 41 LEU HD1 H 0.720 0.020 2 424 41 41 LEU HD2 H 0.548 0.020 2 425 41 41 LEU C C 175.678 0.300 1 426 41 41 LEU CA C 54.317 0.300 1 427 41 41 LEU CB C 46.866 0.300 1 428 41 41 LEU CG C 27.851 0.300 1 429 41 41 LEU CD1 C 24.831 0.300 1 430 41 41 LEU CD2 C 26.223 0.300 1 431 41 41 LEU N N 123.990 0.300 1 432 42 42 ILE H H 8.527 0.020 1 433 42 42 ILE HA H 4.477 0.020 1 434 42 42 ILE HB H 1.233 0.020 1 435 42 42 ILE HG12 H 1.318 0.020 2 436 42 42 ILE HG13 H 1.068 0.020 2 437 42 42 ILE HG2 H 0.803 0.020 1 438 42 42 ILE HD1 H -0.233 0.020 1 439 42 42 ILE C C 171.751 0.300 1 440 42 42 ILE CA C 60.801 0.300 1 441 42 42 ILE CB C 42.994 0.300 1 442 42 42 ILE CG1 C 29.162 0.300 1 443 42 42 ILE CG2 C 16.255 0.300 1 444 42 42 ILE CD1 C 13.679 0.300 1 445 42 42 ILE N N 125.031 0.300 1 446 43 43 ALA H H 8.443 0.020 1 447 43 43 ALA HA H 4.565 0.020 1 448 43 43 ALA HB H 1.357 0.020 1 449 43 43 ALA C C 176.509 0.300 1 450 43 43 ALA CA C 52.262 0.300 1 451 43 43 ALA CB C 18.841 0.300 1 452 43 43 ALA N N 129.314 0.300 1 453 44 44 CYS H H 7.878 0.020 1 454 44 44 CYS HA H 4.455 0.020 1 455 44 44 CYS HB2 H 2.300 0.020 2 456 44 44 CYS HB3 H 2.189 0.020 2 457 44 44 CYS C C 175.795 0.300 1 458 44 44 CYS CA C 57.889 0.300 1 459 44 44 CYS CB C 28.203 0.300 1 460 44 44 CYS N N 119.744 0.300 1 461 45 45 ARG H H 9.356 0.020 1 462 45 45 ARG HA H 4.160 0.020 1 463 45 45 ARG HB2 H 1.706 0.020 2 464 45 45 ARG HG2 H 1.500 0.020 2 465 45 45 ARG HG3 H 1.529 0.020 2 466 45 45 ARG HD2 H 2.942 0.020 2 467 45 45 ARG HD3 H 2.987 0.020 2 468 45 45 ARG C C 176.108 0.300 1 469 45 45 ARG CA C 57.538 0.300 1 470 45 45 ARG CB C 30.459 0.300 1 471 45 45 ARG CG C 27.432 0.300 1 472 45 45 ARG CD C 43.184 0.300 1 473 45 45 ARG N N 128.944 0.300 1 474 46 46 ASP H H 7.658 0.020 1 475 46 46 ASP HA H 4.557 0.020 1 476 46 46 ASP HB2 H 2.476 0.020 2 477 46 46 ASP HB3 H 2.626 0.020 2 478 46 46 ASP C C 176.728 0.300 1 479 46 46 ASP CA C 54.131 0.300 1 480 46 46 ASP CB C 41.523 0.300 1 481 46 46 ASP N N 120.354 0.300 1 482 47 47 THR H H 8.066 0.020 1 483 47 47 THR HA H 4.183 0.020 1 484 47 47 THR HB H 4.335 0.020 1 485 47 47 THR HG2 H 1.083 0.020 1 486 47 47 THR C C 175.882 0.300 1 487 47 47 THR CA C 61.470 0.300 1 488 47 47 THR CB C 69.248 0.300 1 489 47 47 THR CG2 C 21.453 0.300 1 490 47 47 THR N N 114.249 0.300 1 491 48 48 GLU H H 8.104 0.020 1 492 48 48 GLU HA H 3.784 0.020 1 493 48 48 GLU HB2 H 1.398 0.020 2 494 48 48 GLU HB3 H 1.732 0.020 2 495 48 48 GLU HG2 H 1.335 0.020 2 496 48 48 GLU HG3 H 1.785 0.020 2 497 48 48 GLU C C 176.774 0.300 1 498 48 48 GLU CA C 58.998 0.300 1 499 48 48 GLU CB C 29.251 0.300 1 500 48 48 GLU CG C 35.417 0.300 1 501 48 48 GLU N N 125.634 0.300 1 502 49 49 PHE H H 8.110 0.020 1 503 49 49 PHE HA H 4.601 0.020 1 504 49 49 PHE HB2 H 3.139 0.020 2 505 49 49 PHE HB3 H 2.768 0.020 2 506 49 49 PHE C C 174.936 0.300 1 507 49 49 PHE CA C 57.071 0.300 1 508 49 49 PHE CB C 38.407 0.300 1 509 49 49 PHE N N 115.872 0.300 1 510 50 50 SER H H 7.570 0.020 1 511 50 50 SER HA H 4.268 0.020 1 512 50 50 SER HB2 H 3.829 0.020 2 513 50 50 SER C C 173.815 0.300 1 514 50 50 SER CA C 59.508 0.300 1 515 50 50 SER CB C 64.135 0.300 1 516 50 50 SER N N 114.411 0.300 1 517 51 51 ASP H H 8.636 0.020 1 518 51 51 ASP HA H 4.476 0.020 1 519 51 51 ASP HB2 H 2.452 0.020 2 520 51 51 ASP C C 176.340 0.300 1 521 51 51 ASP CA C 54.027 0.300 1 522 51 51 ASP CB C 41.328 0.300 1 523 51 51 ASP N N 121.811 0.300 1 524 52 52 LYS H H 8.527 0.020 1 525 52 52 LYS HA H 4.069 0.020 1 526 52 52 LYS HB2 H 1.745 0.020 2 527 52 52 LYS HG2 H 1.372 0.020 2 528 52 52 LYS HD2 H 1.569 0.020 2 529 52 52 LYS HE2 H 2.879 0.020 2 530 52 52 LYS C C 178.212 0.300 1 531 52 52 LYS CA C 58.355 0.300 1 532 52 52 LYS CB C 32.149 0.300 1 533 52 52 LYS CG C 24.528 0.300 1 534 52 52 LYS CD C 29.019 0.300 1 535 52 52 LYS CE C 41.953 0.300 1 536 52 52 LYS N N 123.531 0.300 1 537 53 53 GLU H H 8.143 0.020 1 538 53 53 GLU HA H 3.983 0.020 1 539 53 53 GLU HB2 H 1.835 0.020 2 540 53 53 GLU HB3 H 1.881 0.020 2 541 53 53 GLU HG2 H 2.141 0.020 2 542 53 53 GLU HG3 H 2.035 0.020 2 543 53 53 GLU C C 177.521 0.300 1 544 53 53 GLU CA C 57.637 0.300 1 545 53 53 GLU CB C 29.502 0.300 1 546 53 53 GLU CG C 36.488 0.300 1 547 53 53 GLU N N 117.960 0.300 1 548 54 54 LYS H H 7.533 0.020 1 549 54 54 LYS HA H 3.896 0.020 1 550 54 54 LYS HB2 H 0.618 0.020 2 551 54 54 LYS HB3 H 0.930 0.020 2 552 54 54 LYS HG2 H 0.939 0.020 2 553 54 54 LYS HG3 H 0.853 0.020 2 554 54 54 LYS HD2 H 1.014 0.020 2 555 54 54 LYS HD3 H 1.094 0.020 2 556 54 54 LYS HE2 H 2.728 0.020 2 557 54 54 LYS C C 175.483 0.300 1 558 54 54 LYS CA C 56.654 0.300 1 559 54 54 LYS CB C 32.700 0.300 1 560 54 54 LYS CG C 25.635 0.300 1 561 54 54 LYS CD C 29.636 0.300 1 562 54 54 LYS CE C 41.971 0.300 1 563 54 54 LYS N N 117.269 0.300 1 564 55 55 GLY H H 7.277 0.020 1 565 55 55 GLY HA2 H 4.261 0.020 2 566 55 55 GLY HA3 H 3.553 0.020 2 567 55 55 GLY C C 172.624 0.300 1 568 55 55 GLY CA C 43.768 0.300 1 569 55 55 GLY N N 105.479 0.300 1 570 56 56 ASN H H 8.184 0.020 1 571 56 56 ASN HA H 4.848 0.020 1 572 56 56 ASN HB2 H 2.815 0.020 2 573 56 56 ASN HB3 H 2.711 0.020 2 574 56 56 ASN HD21 H 7.674 0.020 2 575 56 56 ASN HD22 H 6.833 0.020 2 576 56 56 ASN C C 175.018 0.300 1 577 56 56 ASN CA C 52.389 0.300 1 578 56 56 ASN CB C 40.045 0.300 1 579 56 56 ASN CG C 176.381 0.300 1 580 56 56 ASN N N 117.491 0.300 1 581 56 56 ASN ND2 N 112.720 0.300 1 582 57 57 MET H H 8.652 0.020 1 583 57 57 MET HA H 4.906 0.020 1 584 57 57 MET HB2 H 2.040 0.020 2 585 57 57 MET HB3 H 1.626 0.020 2 586 57 57 MET HG2 H 2.347 0.020 2 587 57 57 MET HG3 H 1.655 0.020 2 588 57 57 MET HE H 1.814 0.020 1 589 57 57 MET C C 176.204 0.300 1 590 57 57 MET CA C 56.397 0.300 1 591 57 57 MET CB C 34.170 0.300 1 592 57 57 MET CG C 31.970 0.300 1 593 57 57 MET CE C 16.929 0.300 1 594 57 57 MET N N 123.909 0.300 1 595 58 58 VAL H H 9.665 0.020 1 596 58 58 VAL HA H 5.024 0.020 1 597 58 58 VAL HB H 2.158 0.020 1 598 58 58 VAL HG1 H 0.836 0.020 2 599 58 58 VAL HG2 H 0.852 0.020 2 600 58 58 VAL C C 173.872 0.300 1 601 58 58 VAL CA C 58.823 0.300 1 602 58 58 VAL CB C 35.993 0.300 1 603 58 58 VAL CG1 C 21.538 0.300 1 604 58 58 VAL CG2 C 19.047 0.300 1 605 58 58 VAL N N 119.122 0.300 1 606 59 59 TYR H H 8.602 0.020 1 607 59 59 TYR HA H 5.236 0.020 1 608 59 59 TYR HB2 H 2.565 0.020 2 609 59 59 TYR HB3 H 3.030 0.020 2 610 59 59 TYR C C 175.122 0.300 1 611 59 59 TYR CA C 56.742 0.300 1 612 59 59 TYR CB C 40.775 0.300 1 613 59 59 TYR N N 119.504 0.300 1 614 60 60 LEU H H 10.328 0.020 1 615 60 60 LEU HA H 5.376 0.020 1 616 60 60 LEU HB2 H 1.581 0.020 2 617 60 60 LEU HB3 H 0.925 0.020 2 618 60 60 LEU HG H 1.264 0.020 1 619 60 60 LEU HD1 H 0.413 0.020 2 620 60 60 LEU HD2 H -0.450 0.020 2 621 60 60 LEU C C 175.635 0.300 1 622 60 60 LEU CA C 53.379 0.300 1 623 60 60 LEU CB C 47.289 0.300 1 624 60 60 LEU CG C 26.613 0.300 1 625 60 60 LEU CD1 C 24.003 0.300 1 626 60 60 LEU CD2 C 24.653 0.300 1 627 60 60 LEU N N 121.282 0.300 1 628 61 61 GLY H H 9.217 0.020 1 629 61 61 GLY HA2 H 3.922 0.020 2 630 61 61 GLY HA3 H 5.023 0.020 2 631 61 61 GLY C C 171.825 0.300 1 632 61 61 GLY CA C 44.990 0.300 1 633 61 61 GLY N N 108.855 0.300 1 634 62 62 ILE H H 7.903 0.020 1 635 62 62 ILE HA H 4.242 0.020 1 636 62 62 ILE HB H 1.859 0.020 1 637 62 62 ILE HG12 H 1.184 0.020 2 638 62 62 ILE HG2 H 0.795 0.020 1 639 62 62 ILE HD1 H 0.667 0.020 1 640 62 62 ILE C C 175.822 0.300 1 641 62 62 ILE CA C 58.639 0.300 1 642 62 62 ILE CB C 37.795 0.300 1 643 62 62 ILE CG1 C 27.543 0.300 1 644 62 62 ILE CG2 C 17.534 0.300 1 645 62 62 ILE CD1 C 11.956 0.300 1 646 62 62 ILE N N 119.342 0.300 1 647 63 63 LYS H H 8.446 0.020 1 648 63 63 LYS HA H 3.258 0.020 1 649 63 63 LYS HB2 H 1.356 0.020 2 650 63 63 LYS HB3 H 0.430 0.020 2 651 63 63 LYS HG2 H 0.725 0.020 2 652 63 63 LYS HG3 H 0.894 0.020 2 653 63 63 LYS HD2 H 1.252 0.020 2 654 63 63 LYS HE2 H 2.773 0.020 2 655 63 63 LYS C C 177.206 0.300 1 656 63 63 LYS CA C 58.675 0.300 1 657 63 63 LYS CB C 32.317 0.300 1 658 63 63 LYS CG C 25.161 0.300 1 659 63 63 LYS CD C 29.952 0.300 1 660 63 63 LYS CE C 42.014 0.300 1 661 63 63 LYS N N 129.360 0.300 1 662 64 64 GLY H H 8.671 0.020 1 663 64 64 GLY HA2 H 3.545 0.020 2 664 64 64 GLY HA3 H 4.071 0.020 2 665 64 64 GLY C C 173.411 0.300 1 666 64 64 GLY CA C 45.017 0.300 1 667 64 64 GLY N N 115.598 0.300 1 668 65 65 LYS H H 7.746 0.020 1 669 65 65 LYS HA H 4.528 0.020 1 670 65 65 LYS HB2 H 1.352 0.020 2 671 65 65 LYS HB3 H 1.595 0.020 2 672 65 65 LYS HG2 H 1.151 0.020 2 673 65 65 LYS HG3 H 1.224 0.020 2 674 65 65 LYS HD2 H 1.605 0.020 2 675 65 65 LYS HD3 H 1.426 0.020 2 676 65 65 LYS HE2 H 2.818 0.020 2 677 65 65 LYS HE3 H 2.722 0.020 2 678 65 65 LYS C C 175.193 0.300 1 679 65 65 LYS CA C 53.306 0.300 1 680 65 65 LYS CB C 36.528 0.300 1 681 65 65 LYS CG C 24.632 0.300 1 682 65 65 LYS CD C 28.249 0.300 1 683 65 65 LYS CE C 41.919 0.300 1 684 65 65 LYS N N 118.293 0.300 1 685 66 66 ASP H H 8.443 0.020 1 686 66 66 ASP HA H 4.852 0.020 1 687 66 66 ASP HB2 H 2.420 0.020 2 688 66 66 ASP HB3 H 2.276 0.020 2 689 66 66 ASP C C 176.156 0.300 1 690 66 66 ASP CA C 53.116 0.300 1 691 66 66 ASP CB C 38.489 0.300 1 692 66 66 ASP N N 122.504 0.300 1 693 67 67 LEU H H 7.233 0.020 1 694 67 67 LEU HA H 5.292 0.020 1 695 67 67 LEU HB2 H 1.359 0.020 2 696 67 67 LEU HB3 H 1.085 0.020 2 697 67 67 LEU HG H 1.401 0.020 1 698 67 67 LEU HD1 H 0.721 0.020 2 699 67 67 LEU HD2 H 0.709 0.020 2 700 67 67 LEU C C 176.861 0.300 1 701 67 67 LEU CA C 53.239 0.300 1 702 67 67 LEU CB C 47.689 0.300 1 703 67 67 LEU CG C 26.967 0.300 1 704 67 67 LEU CD1 C 23.108 0.300 1 705 67 67 LEU CD2 C 26.510 0.300 1 706 67 67 LEU N N 119.320 0.300 1 707 68 68 CYS H H 8.928 0.020 1 708 68 68 CYS HA H 5.467 0.020 1 709 68 68 CYS HB2 H 2.682 0.020 2 710 68 68 CYS HB3 H 3.146 0.020 2 711 68 68 CYS C C 173.454 0.300 1 712 68 68 CYS CA C 58.118 0.300 1 713 68 68 CYS CB C 32.490 0.300 1 714 68 68 CYS N N 117.694 0.300 1 715 69 69 LEU H H 8.710 0.020 1 716 69 69 LEU HA H 4.555 0.020 1 717 69 69 LEU HB2 H 1.585 0.020 2 718 69 69 LEU HG H 1.361 0.020 1 719 69 69 LEU HD1 H 0.390 0.020 2 720 69 69 LEU HD2 H 0.529 0.020 2 721 69 69 LEU C C 175.427 0.300 1 722 69 69 LEU CA C 58.026 0.300 1 723 69 69 LEU CB C 42.805 0.300 1 724 69 69 LEU CG C 31.077 0.300 1 725 69 69 LEU CD1 C 25.659 0.300 1 726 69 69 LEU CD2 C 23.558 0.300 1 727 69 69 LEU N N 125.260 0.300 1 728 70 70 PHE H H 8.653 0.020 1 729 70 70 PHE HA H 4.674 0.020 1 730 70 70 PHE HB2 H 2.305 0.020 2 731 70 70 PHE HB3 H 2.335 0.020 2 732 70 70 PHE C C 173.106 0.300 1 733 70 70 PHE CA C 56.368 0.300 1 734 70 70 PHE CB C 44.491 0.300 1 735 70 70 PHE N N 119.644 0.300 1 736 71 71 CYS H H 7.905 0.020 1 737 71 71 CYS HA H 4.636 0.020 1 738 71 71 CYS HB2 H 2.746 0.020 2 739 71 71 CYS HB3 H 2.001 0.020 2 740 71 71 CYS C C 171.879 0.300 1 741 71 71 CYS CA C 57.154 0.300 1 742 71 71 CYS CB C 28.422 0.300 1 743 71 71 CYS N N 123.023 0.300 1 744 72 72 ALA H H 8.296 0.020 1 745 72 72 ALA HA H 4.257 0.020 1 746 72 72 ALA HB H 1.150 0.020 1 747 72 72 ALA C C 175.302 0.300 1 748 72 72 ALA CA C 49.957 0.300 1 749 72 72 ALA CB C 21.849 0.300 1 750 72 72 ALA N N 125.734 0.300 1 751 73 73 GLU H H 8.094 0.020 1 752 73 73 GLU HA H 4.010 0.020 1 753 73 73 GLU HB2 H 1.424 0.020 2 754 73 73 GLU HB3 H 1.551 0.020 2 755 73 73 GLU HG2 H 1.421 0.020 2 756 73 73 GLU HG3 H 1.385 0.020 2 757 73 73 GLU C C 175.046 0.300 1 758 73 73 GLU CA C 55.670 0.300 1 759 73 73 GLU CB C 30.583 0.300 1 760 73 73 GLU CG C 36.365 0.300 1 761 73 73 GLU N N 119.813 0.300 1 762 74 74 ILE H H 7.812 0.020 1 763 74 74 ILE HA H 4.105 0.020 1 764 74 74 ILE HB H 1.684 0.020 1 765 74 74 ILE HG12 H 0.932 0.020 2 766 74 74 ILE HG13 H 1.164 0.020 2 767 74 74 ILE HG2 H 0.720 0.020 1 768 74 74 ILE HD1 H 0.636 0.020 1 769 74 74 ILE C C 176.261 0.300 1 770 74 74 ILE CA C 59.575 0.300 1 771 74 74 ILE CB C 38.770 0.300 1 772 74 74 ILE CG1 C 26.426 0.300 1 773 74 74 ILE CG2 C 16.872 0.300 1 774 74 74 ILE CD1 C 11.590 0.300 1 775 74 74 ILE N N 125.772 0.300 1 776 75 75 GLN H H 9.482 0.020 1 777 75 75 GLN HA H 3.701 0.020 1 778 75 75 GLN HB2 H 2.170 0.020 2 779 75 75 GLN HB3 H 1.851 0.020 2 780 75 75 GLN HG2 H 2.209 0.020 2 781 75 75 GLN HE21 H 7.393 0.020 2 782 75 75 GLN HE22 H 6.728 0.020 2 783 75 75 GLN C C 176.151 0.300 1 784 75 75 GLN CA C 56.472 0.300 1 785 75 75 GLN CB C 26.775 0.300 1 786 75 75 GLN CG C 34.171 0.300 1 787 75 75 GLN CD C 180.802 0.300 1 788 75 75 GLN N N 128.244 0.300 1 789 75 75 GLN NE2 N 111.750 0.300 1 790 76 76 GLY H H 8.496 0.020 1 791 76 76 GLY HA2 H 3.388 0.020 2 792 76 76 GLY HA3 H 3.932 0.020 2 793 76 76 GLY C C 173.392 0.300 1 794 76 76 GLY CA C 45.039 0.300 1 795 76 76 GLY N N 103.093 0.300 1 796 77 77 LYS H H 7.507 0.020 1 797 77 77 LYS HA H 4.460 0.020 1 798 77 77 LYS HB2 H 1.575 0.020 2 799 77 77 LYS HB3 H 1.427 0.020 2 800 77 77 LYS HG2 H 1.153 0.020 2 801 77 77 LYS HG3 H 1.193 0.020 2 802 77 77 LYS HD2 H 1.620 0.020 2 803 77 77 LYS HE2 H 3.033 0.020 2 804 77 77 LYS C C 176.694 0.300 1 805 77 77 LYS CA C 52.563 0.300 1 806 77 77 LYS CB C 34.498 0.300 1 807 77 77 LYS CG C 24.087 0.300 1 808 77 77 LYS CD C 29.251 0.300 1 809 77 77 LYS CE C 42.020 0.300 1 810 77 77 LYS N N 121.456 0.300 1 811 78 78 PRO HA H 4.605 0.020 1 812 78 78 PRO HB2 H 1.774 0.020 2 813 78 78 PRO HG2 H 1.802 0.020 2 814 78 78 PRO HD2 H 3.641 0.020 2 815 78 78 PRO C C 174.701 0.300 1 816 78 78 PRO CA C 62.403 0.300 1 817 78 78 PRO CB C 31.006 0.300 1 818 78 78 PRO CG C 26.814 0.300 1 819 78 78 PRO CD C 50.726 0.300 1 820 79 79 THR H H 8.723 0.020 1 821 79 79 THR HA H 4.376 0.020 1 822 79 79 THR HB H 3.577 0.020 1 823 79 79 THR HG2 H 1.042 0.020 1 824 79 79 THR C C 171.915 0.300 1 825 79 79 THR CA C 61.407 0.300 1 826 79 79 THR CB C 72.724 0.300 1 827 79 79 THR CG2 C 20.211 0.300 1 828 79 79 THR N N 120.901 0.300 1 829 80 80 LEU H H 8.702 0.020 1 830 80 80 LEU HA H 4.702 0.020 1 831 80 80 LEU HB2 H 1.706 0.020 2 832 80 80 LEU HB3 H 1.155 0.020 2 833 80 80 LEU HG H 1.345 0.020 1 834 80 80 LEU HD1 H 0.816 0.020 2 835 80 80 LEU HD2 H 0.472 0.020 2 836 80 80 LEU C C 175.587 0.300 1 837 80 80 LEU CA C 54.385 0.300 1 838 80 80 LEU CB C 43.493 0.300 1 839 80 80 LEU CG C 27.037 0.300 1 840 80 80 LEU CD1 C 23.772 0.300 1 841 80 80 LEU CD2 C 25.856 0.300 1 842 80 80 LEU N N 128.449 0.300 1 843 81 81 GLN H H 9.522 0.020 1 844 81 81 GLN HA H 4.632 0.020 1 845 81 81 GLN HB2 H 1.613 0.020 2 846 81 81 GLN HB3 H 1.927 0.020 2 847 81 81 GLN HG2 H 1.999 0.020 2 848 81 81 GLN HG3 H 2.152 0.020 2 849 81 81 GLN HE21 H 7.161 0.020 2 850 81 81 GLN HE22 H 6.567 0.020 2 851 81 81 GLN C C 173.562 0.300 1 852 81 81 GLN CA C 53.820 0.300 1 853 81 81 GLN CB C 33.630 0.300 1 854 81 81 GLN CG C 33.964 0.300 1 855 81 81 GLN CD C 179.302 0.300 1 856 81 81 GLN N N 126.543 0.300 1 857 81 81 GLN NE2 N 109.391 0.300 1 858 82 82 LEU H H 8.188 0.020 1 859 82 82 LEU HA H 5.008 0.020 1 860 82 82 LEU HB2 H 1.676 0.020 2 861 82 82 LEU HB3 H 1.042 0.020 2 862 82 82 LEU HG H 1.487 0.020 1 863 82 82 LEU HD1 H 0.583 0.020 2 864 82 82 LEU HD2 H 0.551 0.020 2 865 82 82 LEU C C 176.631 0.300 1 866 82 82 LEU CA C 53.262 0.300 1 867 82 82 LEU CB C 43.249 0.300 1 868 82 82 LEU CG C 26.826 0.300 1 869 82 82 LEU CD1 C 24.156 0.300 1 870 82 82 LEU CD2 C 26.235 0.300 1 871 82 82 LEU N N 117.999 0.300 1 872 83 83 LYS H H 8.875 0.020 1 873 83 83 LYS HA H 4.437 0.020 1 874 83 83 LYS HB2 H 1.535 0.020 2 875 83 83 LYS HB3 H 1.327 0.020 2 876 83 83 LYS HG2 H 0.734 0.020 2 877 83 83 LYS HG3 H 0.653 0.020 2 878 83 83 LYS HD2 H 0.928 0.020 2 879 83 83 LYS HD3 H 1.074 0.020 2 880 83 83 LYS HE2 H 1.960 0.020 2 881 83 83 LYS HE3 H 2.077 0.020 2 882 83 83 LYS C C 175.527 0.300 1 883 83 83 LYS CA C 52.935 0.300 1 884 83 83 LYS CB C 36.107 0.300 1 885 83 83 LYS CG C 24.419 0.300 1 886 83 83 LYS CD C 27.696 0.300 1 887 83 83 LYS CE C 41.444 0.300 1 888 83 83 LYS N N 122.717 0.300 1 889 84 84 GLU H H 8.660 0.020 1 890 84 84 GLU HA H 4.701 0.020 1 891 84 84 GLU HB2 H 1.893 0.020 2 892 84 84 GLU HG2 H 2.184 0.020 2 893 84 84 GLU C C 174.600 0.300 1 894 84 84 GLU CA C 56.532 0.300 1 895 84 84 GLU CB C 27.822 0.300 1 896 84 84 GLU CG C 36.078 0.300 1 897 84 84 GLU N N 123.799 0.300 1 898 85 85 LYS H H 7.823 0.020 1 899 85 85 LYS HA H 4.028 0.020 1 900 85 85 LYS HB2 H 1.229 0.020 2 901 85 85 LYS HB3 H 1.611 0.020 2 902 85 85 LYS HG2 H 0.695 0.020 2 903 85 85 LYS HG3 H 0.989 0.020 2 904 85 85 LYS HD2 H 1.415 0.020 2 905 85 85 LYS HD3 H 1.481 0.020 2 906 85 85 LYS HE2 H 2.587 0.020 2 907 85 85 LYS HE3 H 2.377 0.020 2 908 85 85 LYS C C 172.633 0.300 1 909 85 85 LYS CA C 54.262 0.300 1 910 85 85 LYS CB C 33.623 0.300 1 911 85 85 LYS CG C 23.831 0.300 1 912 85 85 LYS CD C 27.427 0.300 1 913 85 85 LYS CE C 41.375 0.300 1 914 85 85 LYS N N 129.938 0.300 1 915 86 86 ASN H H 8.639 0.020 1 916 86 86 ASN HA H 4.709 0.020 1 917 86 86 ASN HB2 H 2.575 0.020 2 918 86 86 ASN HB3 H 2.432 0.020 2 919 86 86 ASN HD21 H 7.993 0.020 2 920 86 86 ASN HD22 H 6.764 0.020 2 921 86 86 ASN C C 176.920 0.300 1 922 86 86 ASN CA C 52.283 0.300 1 923 86 86 ASN CB C 40.163 0.300 1 924 86 86 ASN CG C 176.873 0.300 1 925 86 86 ASN N N 124.518 0.300 1 926 86 86 ASN ND2 N 114.108 0.300 1 927 87 87 ILE H H 9.053 0.020 1 928 87 87 ILE HA H 3.563 0.020 1 929 87 87 ILE HB H 1.735 0.020 1 930 87 87 ILE HG12 H 1.301 0.020 2 931 87 87 ILE HG13 H 0.951 0.020 2 932 87 87 ILE HG2 H 0.611 0.020 1 933 87 87 ILE HD1 H 0.590 0.020 1 934 87 87 ILE C C 175.590 0.300 1 935 87 87 ILE CA C 64.841 0.300 1 936 87 87 ILE CB C 38.217 0.300 1 937 87 87 ILE CG1 C 28.808 0.300 1 938 87 87 ILE CG2 C 16.374 0.300 1 939 87 87 ILE CD1 C 14.775 0.300 1 940 87 87 ILE N N 129.404 0.300 1 941 88 88 MET H H 7.879 0.020 1 942 88 88 MET HA H 4.573 0.020 1 943 88 88 MET HB2 H 1.883 0.020 2 944 88 88 MET HG2 H 2.182 0.020 2 945 88 88 MET HG3 H 2.614 0.020 2 946 88 88 MET HE H 1.601 0.020 1 947 88 88 MET C C 179.609 0.300 1 948 88 88 MET CA C 55.058 0.300 1 949 88 88 MET CB C 27.888 0.300 1 950 88 88 MET CG C 31.651 0.300 1 951 88 88 MET CE C 14.958 0.300 1 952 88 88 MET N N 118.704 0.300 1 953 89 89 ASP H H 7.548 0.020 1 954 89 89 ASP HA H 4.292 0.020 1 955 89 89 ASP HB2 H 2.719 0.020 2 956 89 89 ASP HB3 H 2.441 0.020 2 957 89 89 ASP C C 179.128 0.300 1 958 89 89 ASP CA C 56.637 0.300 1 959 89 89 ASP CB C 39.434 0.300 1 960 89 89 ASP N N 120.877 0.300 1 961 90 90 LEU H H 6.732 0.020 1 962 90 90 LEU HA H 3.553 0.020 1 963 90 90 LEU HB2 H -0.170 0.020 2 964 90 90 LEU HB3 H 1.125 0.020 2 965 90 90 LEU HG H 0.688 0.020 1 966 90 90 LEU HD1 H -0.193 0.020 2 967 90 90 LEU HD2 H 0.098 0.020 2 968 90 90 LEU C C 178.651 0.300 1 969 90 90 LEU CA C 56.986 0.300 1 970 90 90 LEU CB C 39.821 0.300 1 971 90 90 LEU CG C 25.256 0.300 1 972 90 90 LEU CD1 C 22.235 0.300 1 973 90 90 LEU CD2 C 26.108 0.300 1 974 90 90 LEU N N 118.761 0.300 1 975 91 91 TYR H H 7.690 0.020 1 976 91 91 TYR HA H 4.049 0.020 1 977 91 91 TYR HB2 H 2.979 0.020 2 978 91 91 TYR C C 176.940 0.300 1 979 91 91 TYR CA C 61.025 0.300 1 980 91 91 TYR CB C 39.350 0.300 1 981 91 91 TYR N N 117.822 0.300 1 982 92 92 VAL H H 7.268 0.020 1 983 92 92 VAL HA H 3.684 0.020 1 984 92 92 VAL HB H 2.203 0.020 1 985 92 92 VAL HG1 H 0.934 0.020 2 986 92 92 VAL HG2 H 0.909 0.020 2 987 92 92 VAL C C 176.605 0.300 1 988 92 92 VAL CA C 62.348 0.300 1 989 92 92 VAL CB C 31.641 0.300 1 990 92 92 VAL CG1 C 21.364 0.300 1 991 92 92 VAL CG2 C 19.593 0.300 1 992 92 92 VAL N N 108.790 0.300 1 993 93 93 GLU H H 6.993 0.020 1 994 93 93 GLU HA H 3.905 0.020 1 995 93 93 GLU HB2 H 2.023 0.020 2 996 93 93 GLU HB3 H 1.925 0.020 2 997 93 93 GLU HG2 H 2.224 0.020 2 998 93 93 GLU HG3 H 2.304 0.020 2 999 93 93 GLU C C 177.113 0.300 1 1000 93 93 GLU CA C 57.244 0.300 1 1001 93 93 GLU CB C 29.030 0.300 1 1002 93 93 GLU CG C 36.085 0.300 1 1003 93 93 GLU N N 123.244 0.300 1 1004 94 94 LYS H H 8.301 0.020 1 1005 94 94 LYS HA H 3.744 0.020 1 1006 94 94 LYS HB2 H 1.687 0.020 2 1007 94 94 LYS HG2 H 1.386 0.020 2 1008 94 94 LYS HG3 H 1.313 0.020 2 1009 94 94 LYS HD2 H 1.553 0.020 2 1010 94 94 LYS HE2 H 2.860 0.020 2 1011 94 94 LYS C C 176.965 0.300 1 1012 94 94 LYS CA C 58.540 0.300 1 1013 94 94 LYS CB C 32.530 0.300 1 1014 94 94 LYS CG C 25.180 0.300 1 1015 94 94 LYS CD C 28.867 0.300 1 1016 94 94 LYS CE C 41.985 0.300 1 1017 94 94 LYS N N 122.993 0.300 1 1018 95 95 LYS H H 7.945 0.020 1 1019 95 95 LYS HA H 4.500 0.020 1 1020 95 95 LYS HB2 H 1.660 0.020 2 1021 95 95 LYS HB3 H 1.480 0.020 2 1022 95 95 LYS HG2 H 1.276 0.020 2 1023 95 95 LYS HG3 H 1.330 0.020 2 1024 95 95 LYS HD2 H 1.564 0.020 2 1025 95 95 LYS HE2 H 2.865 0.020 2 1026 95 95 LYS HE3 H 2.892 0.020 2 1027 95 95 LYS C C 176.272 0.300 1 1028 95 95 LYS CA C 53.390 0.300 1 1029 95 95 LYS CB C 33.246 0.300 1 1030 95 95 LYS CG C 24.252 0.300 1 1031 95 95 LYS CD C 28.381 0.300 1 1032 95 95 LYS CE C 41.786 0.300 1 1033 95 95 LYS N N 117.376 0.300 1 1034 96 96 ALA H H 9.318 0.020 1 1035 96 96 ALA HA H 3.943 0.020 1 1036 96 96 ALA HB H 1.231 0.020 1 1037 96 96 ALA C C 177.570 0.300 1 1038 96 96 ALA CA C 52.676 0.300 1 1039 96 96 ALA CB C 19.943 0.300 1 1040 96 96 ALA N N 126.761 0.300 1 1041 97 97 GLN H H 8.250 0.020 1 1042 97 97 GLN HA H 4.460 0.020 1 1043 97 97 GLN HB2 H 2.309 0.020 2 1044 97 97 GLN HB3 H 2.241 0.020 2 1045 97 97 GLN HG2 H 2.198 0.020 2 1046 97 97 GLN HG3 H 2.328 0.020 2 1047 97 97 GLN HE21 H 7.880 0.020 2 1048 97 97 GLN HE22 H 6.797 0.020 2 1049 97 97 GLN C C 175.207 0.300 1 1050 97 97 GLN CA C 53.578 0.300 1 1051 97 97 GLN CB C 28.557 0.300 1 1052 97 97 GLN CG C 33.280 0.300 1 1053 97 97 GLN CD C 180.097 0.300 1 1054 97 97 GLN N N 121.867 0.300 1 1055 97 97 GLN NE2 N 116.194 0.300 1 1056 98 98 LYS H H 8.160 0.020 1 1057 98 98 LYS HA H 4.287 0.020 1 1058 98 98 LYS HB2 H 1.597 0.020 2 1059 98 98 LYS HG2 H 1.488 0.020 2 1060 98 98 LYS HG3 H 1.345 0.020 2 1061 98 98 LYS HD2 H 1.585 0.020 2 1062 98 98 LYS HD3 H 1.718 0.020 2 1063 98 98 LYS HE2 H 2.901 0.020 2 1064 98 98 LYS C C 174.526 0.300 1 1065 98 98 LYS CA C 54.469 0.300 1 1066 98 98 LYS CB C 30.005 0.300 1 1067 98 98 LYS CG C 25.228 0.300 1 1068 98 98 LYS CD C 28.969 0.300 1 1069 98 98 LYS CE C 42.042 0.300 1 1070 98 98 LYS N N 123.803 0.300 1 1071 99 99 PRO HA H 4.030 0.020 1 1072 99 99 PRO HB2 H 1.647 0.020 2 1073 99 99 PRO HB3 H 0.905 0.020 2 1074 99 99 PRO HG2 H 1.742 0.020 2 1075 99 99 PRO HG3 H 1.647 0.020 2 1076 99 99 PRO HD2 H 3.480 0.020 2 1077 99 99 PRO HD3 H 3.401 0.020 2 1078 99 99 PRO C C 175.628 0.300 1 1079 99 99 PRO CA C 65.936 0.300 1 1080 99 99 PRO CB C 31.211 0.300 1 1081 99 99 PRO CG C 28.153 0.300 1 1082 99 99 PRO CD C 50.268 0.300 1 1083 100 100 PHE H H 7.485 0.020 1 1084 100 100 PHE HA H 5.068 0.020 1 1085 100 100 PHE HB2 H 4.043 0.020 2 1086 100 100 PHE HB3 H 3.127 0.020 2 1087 100 100 PHE C C 174.715 0.300 1 1088 100 100 PHE CA C 57.605 0.300 1 1089 100 100 PHE CB C 40.543 0.300 1 1090 100 100 PHE N N 111.835 0.300 1 1091 101 101 LEU H H 7.545 0.020 1 1092 101 101 LEU HA H 4.672 0.020 1 1093 101 101 LEU HB2 H 0.743 0.020 2 1094 101 101 LEU HB3 H 1.565 0.020 2 1095 101 101 LEU HG H 1.337 0.020 1 1096 101 101 LEU HD1 H 0.609 0.020 2 1097 101 101 LEU HD2 H -0.117 0.020 2 1098 101 101 LEU C C 176.378 0.300 1 1099 101 101 LEU CA C 53.927 0.300 1 1100 101 101 LEU CB C 44.690 0.300 1 1101 101 101 LEU CG C 25.870 0.300 1 1102 101 101 LEU CD1 C 26.812 0.300 1 1103 101 101 LEU CD2 C 24.255 0.300 1 1104 101 101 LEU N N 118.277 0.300 1 1105 102 102 PHE H H 8.828 0.020 1 1106 102 102 PHE HA H 4.797 0.020 1 1107 102 102 PHE HB2 H 2.488 0.020 2 1108 102 102 PHE HB3 H 2.707 0.020 2 1109 102 102 PHE C C 175.259 0.300 1 1110 102 102 PHE CA C 56.334 0.300 1 1111 102 102 PHE CB C 42.485 0.300 1 1112 102 102 PHE N N 117.928 0.300 1 1113 103 103 PHE H H 10.083 0.020 1 1114 103 103 PHE HA H 4.811 0.020 1 1115 103 103 PHE HB2 H 2.716 0.020 2 1116 103 103 PHE HB3 H 2.932 0.020 2 1117 103 103 PHE C C 175.761 0.300 1 1118 103 103 PHE CA C 57.690 0.300 1 1119 103 103 PHE CB C 39.990 0.300 1 1120 103 103 PHE N N 120.979 0.300 1 1121 104 104 HIS H H 9.562 0.020 1 1122 104 104 HIS HA H 5.381 0.020 1 1123 104 104 HIS HB2 H 2.846 0.020 2 1124 104 104 HIS HB3 H 3.314 0.020 2 1125 104 104 HIS C C 174.334 0.300 1 1126 104 104 HIS CA C 52.937 0.300 1 1127 104 104 HIS CB C 32.458 0.300 1 1128 104 104 HIS N N 125.533 0.300 1 1129 105 105 ASN H H 8.838 0.020 1 1130 105 105 ASN HA H 4.998 0.020 1 1131 105 105 ASN HB2 H 2.509 0.020 2 1132 105 105 ASN HB3 H 2.683 0.020 2 1133 105 105 ASN HD21 H 7.331 0.020 2 1134 105 105 ASN HD22 H 6.642 0.020 2 1135 105 105 ASN C C 173.012 0.300 1 1136 105 105 ASN CA C 49.936 0.300 1 1137 105 105 ASN CB C 41.861 0.300 1 1138 105 105 ASN CG C 176.381 0.300 1 1139 105 105 ASN N N 128.465 0.300 1 1140 105 105 ASN ND2 N 110.460 0.300 1 1141 106 106 LYS H H 7.704 0.020 1 1142 106 106 LYS HA H 5.023 0.020 1 1143 106 106 LYS HB2 H 1.431 0.020 2 1144 106 106 LYS HB3 H 1.561 0.020 2 1145 106 106 LYS HG2 H 1.110 0.020 2 1146 106 106 LYS HG3 H 1.060 0.020 2 1147 106 106 LYS HD2 H 1.353 0.020 2 1148 106 106 LYS HE2 H 2.690 0.020 2 1149 106 106 LYS HE3 H 2.565 0.020 2 1150 106 106 LYS C C 176.687 0.300 1 1151 106 106 LYS CA C 53.980 0.300 1 1152 106 106 LYS CB C 33.014 0.300 1 1153 106 106 LYS CG C 23.772 0.300 1 1154 106 106 LYS CD C 28.037 0.300 1 1155 106 106 LYS CE C 41.369 0.300 1 1156 106 106 LYS N N 119.154 0.300 1 1157 107 107 GLU H H 8.160 0.020 1 1158 107 107 GLU HA H 3.545 0.020 1 1159 107 107 GLU HB2 H 1.350 0.020 2 1160 107 107 GLU HB3 H 1.449 0.020 2 1161 107 107 GLU HG2 H 0.801 0.020 2 1162 107 107 GLU HG3 H 1.044 0.020 2 1163 107 107 GLU CA C 62.410 0.300 1 1164 107 107 GLU CB C 30.682 0.300 1 1165 107 107 GLU CG C 26.991 0.300 1 1166 107 107 GLU N N 123.785 0.300 1 1167 108 108 GLY HA2 H 3.513 0.020 2 1168 108 108 GLY HA3 H 3.903 0.020 2 1169 108 108 GLY CA C 46.743 0.300 1 1170 109 109 SER HA H 4.462 0.020 1 1171 109 109 SER HB2 H 3.976 0.020 2 1172 109 109 SER HB3 H 3.921 0.020 2 1173 109 109 SER C C 173.976 0.300 1 1174 109 109 SER CA C 58.624 0.300 1 1175 109 109 SER CB C 63.456 0.300 1 1176 110 110 THR H H 7.675 0.020 1 1177 110 110 THR HA H 4.396 0.020 1 1178 110 110 THR HB H 3.712 0.020 1 1179 110 110 THR HG2 H 0.333 0.020 1 1180 110 110 THR C C 172.977 0.300 1 1181 110 110 THR CA C 59.871 0.300 1 1182 110 110 THR CB C 72.341 0.300 1 1183 110 110 THR CG2 C 21.061 0.300 1 1184 110 110 THR N N 110.908 0.300 1 1185 111 111 SER H H 9.689 0.020 1 1186 111 111 SER HA H 5.011 0.020 1 1187 111 111 SER HB2 H 3.200 0.020 2 1188 111 111 SER C C 172.011 0.300 1 1189 111 111 SER CA C 59.417 0.300 1 1190 111 111 SER CB C 66.169 0.300 1 1191 111 111 SER N N 117.620 0.300 1 1192 112 112 VAL H H 8.438 0.020 1 1193 112 112 VAL HA H 4.545 0.020 1 1194 112 112 VAL HB H 1.850 0.020 1 1195 112 112 VAL HG1 H 0.656 0.020 2 1196 112 112 VAL HG2 H 0.845 0.020 2 1197 112 112 VAL C C 174.670 0.300 1 1198 112 112 VAL CA C 59.798 0.300 1 1199 112 112 VAL CB C 35.349 0.300 1 1200 112 112 VAL CG1 C 20.456 0.300 1 1201 112 112 VAL CG2 C 21.349 0.300 1 1202 112 112 VAL N N 119.389 0.300 1 1203 113 113 PHE H H 9.964 0.020 1 1204 113 113 PHE HA H 5.843 0.020 1 1205 113 113 PHE HB2 H 2.515 0.020 2 1206 113 113 PHE HB3 H 2.650 0.020 2 1207 113 113 PHE C C 173.975 0.300 1 1208 113 113 PHE CA C 56.078 0.300 1 1209 113 113 PHE CB C 43.158 0.300 1 1210 113 113 PHE N N 122.640 0.300 1 1211 114 114 GLN H H 9.012 0.020 1 1212 114 114 GLN HA H 4.878 0.020 1 1213 114 114 GLN HB2 H 2.291 0.020 2 1214 114 114 GLN HB3 H 1.664 0.020 2 1215 114 114 GLN HG2 H 1.932 0.020 2 1216 114 114 GLN HG3 H 1.291 0.020 2 1217 114 114 GLN HE21 H 7.581 0.020 2 1218 114 114 GLN HE22 H 7.081 0.020 2 1219 114 114 GLN C C 175.256 0.300 1 1220 114 114 GLN CA C 52.577 0.300 1 1221 114 114 GLN CB C 32.448 0.300 1 1222 114 114 GLN CG C 33.438 0.300 1 1223 114 114 GLN CD C 179.784 0.300 1 1224 114 114 GLN N N 123.462 0.300 1 1225 114 114 GLN NE2 N 111.246 0.300 1 1226 115 115 SER H H 8.892 0.020 1 1227 115 115 SER HA H 3.627 0.020 1 1228 115 115 SER HB2 H 4.434 0.020 2 1229 115 115 SER HB3 H 4.508 0.020 2 1230 115 115 SER C C 173.631 0.300 1 1231 115 115 SER CA C 59.609 0.300 1 1232 115 115 SER CB C 62.937 0.300 1 1233 115 115 SER N N 120.519 0.300 1 1234 116 116 VAL H H 6.884 0.020 1 1235 116 116 VAL HA H 3.416 0.020 1 1236 116 116 VAL HB H 1.251 0.020 1 1237 116 116 VAL HG1 H 0.322 0.020 2 1238 116 116 VAL HG2 H -0.486 0.020 2 1239 116 116 VAL C C 177.816 0.300 1 1240 116 116 VAL CA C 64.270 0.300 1 1241 116 116 VAL CB C 31.587 0.300 1 1242 116 116 VAL CG1 C 20.344 0.300 1 1243 116 116 VAL CG2 C 21.464 0.300 1 1244 116 116 VAL N N 125.821 0.300 1 1245 117 117 SER H H 8.380 0.020 1 1246 117 117 SER HA H 3.246 0.020 1 1247 117 117 SER HB2 H 2.718 0.020 2 1248 117 117 SER HB3 H 2.462 0.020 2 1249 117 117 SER C C 173.312 0.300 1 1250 117 117 SER CA C 62.550 0.300 1 1251 117 117 SER CB C 63.640 0.300 1 1252 117 117 SER N N 116.738 0.300 1 1253 118 118 TYR H H 7.308 0.020 1 1254 118 118 TYR HA H 4.591 0.020 1 1255 118 118 TYR HB2 H 2.211 0.020 2 1256 118 118 TYR HB3 H 2.457 0.020 2 1257 118 118 TYR C C 170.109 0.300 1 1258 118 118 TYR CA C 54.262 0.300 1 1259 118 118 TYR CB C 37.374 0.300 1 1260 118 118 TYR N N 118.496 0.300 1 1261 119 119 PRO HA H 4.479 0.020 1 1262 119 119 PRO HB2 H 2.127 0.020 2 1263 119 119 PRO HB3 H 1.798 0.020 2 1264 119 119 PRO HG2 H 1.881 0.020 2 1265 119 119 PRO HG3 H 1.945 0.020 2 1266 119 119 PRO HD2 H 3.210 0.020 2 1267 119 119 PRO HD3 H 3.416 0.020 2 1268 119 119 PRO C C 178.511 0.300 1 1269 119 119 PRO CA C 63.772 0.300 1 1270 119 119 PRO CB C 31.586 0.300 1 1271 119 119 PRO CG C 27.721 0.300 1 1272 119 119 PRO CD C 49.852 0.300 1 1273 120 120 GLY H H 9.316 0.020 1 1274 120 120 GLY HA2 H 4.149 0.020 2 1275 120 120 GLY HA3 H 3.344 0.020 2 1276 120 120 GLY C C 172.459 0.300 1 1277 120 120 GLY CA C 44.386 0.300 1 1278 120 120 GLY N N 111.480 0.300 1 1279 121 121 TRP H H 7.883 0.020 1 1280 121 121 TRP HA H 4.838 0.020 1 1281 121 121 TRP HB2 H 3.450 0.020 2 1282 121 121 TRP HB3 H 2.720 0.020 2 1283 121 121 TRP HD1 H 6.969 0.020 1 1284 121 121 TRP HE1 H 10.148 0.020 1 1285 121 121 TRP C C 175.156 0.300 1 1286 121 121 TRP CA C 56.278 0.300 1 1287 121 121 TRP CB C 28.380 0.300 1 1288 121 121 TRP N N 119.536 0.300 1 1289 121 121 TRP NE1 N 129.481 0.300 1 1290 122 122 PHE H H 9.589 0.020 1 1291 122 122 PHE HA H 5.402 0.020 1 1292 122 122 PHE HB2 H 3.231 0.020 2 1293 122 122 PHE HB3 H 2.534 0.020 2 1294 122 122 PHE C C 176.883 0.300 1 1295 122 122 PHE CA C 56.503 0.300 1 1296 122 122 PHE CB C 42.460 0.300 1 1297 122 122 PHE N N 122.198 0.300 1 1298 123 123 ILE H H 8.560 0.020 1 1299 123 123 ILE HA H 3.856 0.020 1 1300 123 123 ILE HB H 1.812 0.020 1 1301 123 123 ILE HG12 H 0.582 0.020 2 1302 123 123 ILE HG2 H 0.525 0.020 1 1303 123 123 ILE HD1 H -0.192 0.020 1 1304 123 123 ILE C C 174.382 0.300 1 1305 123 123 ILE CA C 64.875 0.300 1 1306 123 123 ILE CB C 37.410 0.300 1 1307 123 123 ILE CG1 C 28.374 0.300 1 1308 123 123 ILE CG2 C 17.502 0.300 1 1309 123 123 ILE CD1 C 12.343 0.300 1 1310 123 123 ILE N N 120.931 0.300 1 1311 124 124 ALA H H 9.032 0.020 1 1312 124 124 ALA HA H 5.617 0.020 1 1313 124 124 ALA HB H 0.315 0.020 1 1314 124 124 ALA C C 175.265 0.300 1 1315 124 124 ALA CA C 49.718 0.300 1 1316 124 124 ALA CB C 24.654 0.300 1 1317 124 124 ALA N N 129.413 0.300 1 1318 125 125 THR H H 8.915 0.020 1 1319 125 125 THR HA H 4.763 0.020 1 1320 125 125 THR HB H 4.393 0.020 1 1321 125 125 THR HG2 H 1.277 0.020 1 1322 125 125 THR C C 175.314 0.300 1 1323 125 125 THR CA C 58.345 0.300 1 1324 125 125 THR CB C 71.420 0.300 1 1325 125 125 THR CG2 C 24.598 0.300 1 1326 125 125 THR N N 105.263 0.300 1 1327 126 126 SER H H 9.429 0.020 1 1328 126 126 SER HA H 4.807 0.020 1 1329 126 126 SER HB2 H 4.030 0.020 2 1330 126 126 SER HB3 H 3.939 0.020 2 1331 126 126 SER C C 174.639 0.300 1 1332 126 126 SER CA C 56.872 0.300 1 1333 126 126 SER CB C 63.804 0.300 1 1334 126 126 SER N N 114.849 0.300 1 1335 127 127 THR H H 7.913 0.020 1 1336 127 127 THR HA H 4.015 0.020 1 1337 127 127 THR HB H 4.260 0.020 1 1338 127 127 THR HG2 H 1.000 0.020 1 1339 127 127 THR C C 175.131 0.300 1 1340 127 127 THR CA C 63.156 0.300 1 1341 127 127 THR CB C 68.319 0.300 1 1342 127 127 THR CG2 C 21.644 0.300 1 1343 127 127 THR N N 110.482 0.300 1 1344 128 128 THR H H 8.237 0.020 1 1345 128 128 THR HA H 4.344 0.020 1 1346 128 128 THR HB H 3.965 0.020 1 1347 128 128 THR HG2 H 1.167 0.020 1 1348 128 128 THR C C 173.633 0.300 1 1349 128 128 THR CA C 61.229 0.300 1 1350 128 128 THR CB C 69.989 0.300 1 1351 128 128 THR CG2 C 21.417 0.300 1 1352 128 128 THR N N 117.718 0.300 1 1353 129 129 SER H H 8.631 0.020 1 1354 129 129 SER HA H 4.240 0.020 1 1355 129 129 SER HB2 H 3.789 0.020 2 1356 129 129 SER HB3 H 3.864 0.020 2 1357 129 129 SER C C 175.925 0.300 1 1358 129 129 SER CA C 59.483 0.300 1 1359 129 129 SER CB C 64.108 0.300 1 1360 129 129 SER N N 118.981 0.300 1 1361 130 130 GLY H H 8.596 0.020 1 1362 130 130 GLY HA2 H 4.086 0.020 2 1363 130 130 GLY HA3 H 3.510 0.020 2 1364 130 130 GLY C C 173.590 0.300 1 1365 130 130 GLY CA C 46.504 0.300 1 1366 130 130 GLY N N 110.724 0.300 1 1367 131 131 GLN H H 8.837 0.020 1 1368 131 131 GLN HA H 4.636 0.020 1 1369 131 131 GLN HB2 H 1.923 0.020 2 1370 131 131 GLN HB3 H 2.226 0.020 2 1371 131 131 GLN HG2 H 2.223 0.020 2 1372 131 131 GLN HE21 H 6.915 0.020 2 1373 131 131 GLN HE22 H 7.242 0.020 2 1374 131 131 GLN C C 173.325 0.300 1 1375 131 131 GLN CA C 52.416 0.300 1 1376 131 131 GLN CB C 28.505 0.300 1 1377 131 131 GLN CG C 33.389 0.300 1 1378 131 131 GLN CD C 180.079 0.300 1 1379 131 131 GLN N N 119.811 0.300 1 1380 131 131 GLN NE2 N 114.045 0.300 1 1381 132 132 PRO HA H 4.928 0.020 1 1382 132 132 PRO HB2 H 2.330 0.020 2 1383 132 132 PRO HB3 H 1.726 0.020 2 1384 132 132 PRO HG2 H 1.849 0.020 2 1385 132 132 PRO HG3 H 2.022 0.020 2 1386 132 132 PRO HD2 H 3.574 0.020 2 1387 132 132 PRO HD3 H 3.659 0.020 2 1388 132 132 PRO C C 178.320 0.300 1 1389 132 132 PRO CA C 62.832 0.300 1 1390 132 132 PRO CB C 32.316 0.300 1 1391 132 132 PRO CG C 27.809 0.300 1 1392 132 132 PRO CD C 50.647 0.300 1 1393 133 133 ILE H H 7.789 0.020 1 1394 133 133 ILE HA H 4.230 0.020 1 1395 133 133 ILE HB H 1.025 0.020 1 1396 133 133 ILE HG12 H 0.621 0.020 2 1397 133 133 ILE HG13 H 0.316 0.020 2 1398 133 133 ILE HG2 H -0.013 0.020 1 1399 133 133 ILE HD1 H -0.819 0.020 1 1400 133 133 ILE C C 175.961 0.300 1 1401 133 133 ILE CA C 62.960 0.300 1 1402 133 133 ILE CB C 36.188 0.300 1 1403 133 133 ILE CG1 C 27.799 0.300 1 1404 133 133 ILE CG2 C 17.075 0.300 1 1405 133 133 ILE CD1 C 11.621 0.300 1 1406 133 133 ILE N N 124.804 0.300 1 1407 134 134 PHE H H 8.847 0.020 1 1408 134 134 PHE HA H 5.246 0.020 1 1409 134 134 PHE HB2 H 3.091 0.020 2 1410 134 134 PHE HB3 H 2.881 0.020 2 1411 134 134 PHE C C 172.271 0.300 1 1412 134 134 PHE CA C 55.473 0.300 1 1413 134 134 PHE CB C 41.917 0.300 1 1414 134 134 PHE N N 124.365 0.300 1 1415 135 135 LEU H H 7.911 0.020 1 1416 135 135 LEU HA H 5.513 0.020 1 1417 135 135 LEU HB2 H 1.742 0.020 2 1418 135 135 LEU HB3 H 1.553 0.020 2 1419 135 135 LEU HG H 1.667 0.020 1 1420 135 135 LEU HD1 H 0.549 0.020 2 1421 135 135 LEU HD2 H 0.771 0.020 2 1422 135 135 LEU C C 177.254 0.300 1 1423 135 135 LEU CA C 52.783 0.300 1 1424 135 135 LEU CB C 45.198 0.300 1 1425 135 135 LEU CG C 27.419 0.300 1 1426 135 135 LEU CD1 C 25.567 0.300 1 1427 135 135 LEU CD2 C 23.753 0.300 1 1428 135 135 LEU N N 115.678 0.300 1 1429 136 136 THR H H 9.512 0.020 1 1430 136 136 THR HA H 4.983 0.020 1 1431 136 136 THR HB H 3.922 0.020 1 1432 136 136 THR HG2 H 0.791 0.020 1 1433 136 136 THR C C 170.918 0.300 1 1434 136 136 THR CA C 59.798 0.300 1 1435 136 136 THR CB C 70.779 0.300 1 1436 136 136 THR CG2 C 20.196 0.300 1 1437 136 136 THR N N 117.926 0.300 1 1438 137 137 LYS H H 7.893 0.020 1 1439 137 137 LYS HA H 4.847 0.020 1 1440 137 137 LYS HB2 H 0.499 0.020 2 1441 137 137 LYS HB3 H 0.138 0.020 2 1442 137 137 LYS HG2 H 0.138 0.020 2 1443 137 137 LYS HG3 H 0.413 0.020 2 1444 137 137 LYS HD2 H 1.187 0.020 2 1445 137 137 LYS HE2 H 2.735 0.020 2 1446 137 137 LYS C C 176.640 0.300 1 1447 137 137 LYS CA C 54.417 0.300 1 1448 137 137 LYS CB C 32.245 0.300 1 1449 137 137 LYS CG C 23.573 0.300 1 1450 137 137 LYS CD C 29.270 0.300 1 1451 137 137 LYS CE C 41.979 0.300 1 1452 137 137 LYS N N 126.316 0.300 1 1453 138 138 GLU H H 8.247 0.020 1 1454 138 138 GLU HA H 4.228 0.020 1 1455 138 138 GLU HB2 H 1.105 0.020 2 1456 138 138 GLU HB3 H 1.543 0.020 2 1457 138 138 GLU HG2 H 1.979 0.020 2 1458 138 138 GLU HG3 H 1.821 0.020 2 1459 138 138 GLU C C 175.330 0.300 1 1460 138 138 GLU CA C 54.405 0.300 1 1461 138 138 GLU CB C 29.940 0.300 1 1462 138 138 GLU CG C 35.787 0.300 1 1463 138 138 GLU N N 124.291 0.300 1 1464 139 139 ARG H H 8.205 0.020 1 1465 139 139 ARG HA H 4.044 0.020 1 1466 139 139 ARG HB2 H 1.556 0.020 2 1467 139 139 ARG HB3 H 1.289 0.020 2 1468 139 139 ARG HG2 H 0.631 0.020 2 1469 139 139 ARG HG3 H 1.249 0.020 2 1470 139 139 ARG HD2 H 2.133 0.020 2 1471 139 139 ARG C C 176.370 0.300 1 1472 139 139 ARG CA C 56.564 0.300 1 1473 139 139 ARG CB C 29.514 0.300 1 1474 139 139 ARG CG C 26.477 0.300 1 1475 139 139 ARG CD C 41.119 0.300 1 1476 139 139 ARG N N 124.022 0.300 1 1477 140 140 GLY H H 8.141 0.020 1 1478 140 140 GLY HA2 H 4.043 0.020 2 1479 140 140 GLY HA3 H 3.785 0.020 2 1480 140 140 GLY C C 174.012 0.300 1 1481 140 140 GLY CA C 45.400 0.300 1 1482 140 140 GLY N N 111.516 0.300 1 1483 141 141 ILE H H 8.085 0.020 1 1484 141 141 ILE HA H 4.078 0.020 1 1485 141 141 ILE HB H 1.924 0.020 1 1486 141 141 ILE HG12 H 1.237 0.020 2 1487 141 141 ILE HG13 H 1.114 0.020 2 1488 141 141 ILE HG2 H 0.830 0.020 1 1489 141 141 ILE HD1 H 0.746 0.020 1 1490 141 141 ILE C C 177.382 0.300 1 1491 141 141 ILE CA C 62.814 0.300 1 1492 141 141 ILE CB C 38.344 0.300 1 1493 141 141 ILE CG1 C 27.036 0.300 1 1494 141 141 ILE CG2 C 17.750 0.300 1 1495 141 141 ILE CD1 C 13.604 0.300 1 1496 141 141 ILE N N 114.624 0.300 1 1497 142 142 THR H H 7.834 0.020 1 1498 142 142 THR HA H 4.183 0.020 1 1499 142 142 THR HB H 4.366 0.020 1 1500 142 142 THR HG2 H 1.086 0.020 1 1501 142 142 THR C C 173.386 0.300 1 1502 142 142 THR CA C 62.536 0.300 1 1503 142 142 THR CB C 68.937 0.300 1 1504 142 142 THR CG2 C 21.885 0.300 1 1505 142 142 THR N N 111.647 0.300 1 1506 143 143 ASN H H 7.778 0.020 1 1507 143 143 ASN HA H 4.876 0.020 1 1508 143 143 ASN HB2 H 2.821 0.020 2 1509 143 143 ASN HB3 H 2.760 0.020 2 1510 143 143 ASN HD21 H 7.355 0.020 2 1511 143 143 ASN HD22 H 6.877 0.020 2 1512 143 143 ASN C C 172.381 0.300 1 1513 143 143 ASN CA C 52.304 0.300 1 1514 143 143 ASN CB C 40.633 0.300 1 1515 143 143 ASN CG C 174.387 0.300 1 1516 143 143 ASN N N 116.650 0.300 1 1517 143 143 ASN ND2 N 114.242 0.300 1 1518 144 144 ASN H H 9.147 0.020 1 1519 144 144 ASN HA H 4.871 0.020 1 1520 144 144 ASN HB2 H 2.626 0.020 2 1521 144 144 ASN HB3 H 2.969 0.020 2 1522 144 144 ASN HD21 H 6.861 0.020 2 1523 144 144 ASN C C 174.565 0.300 1 1524 144 144 ASN CA C 53.398 0.300 1 1525 144 144 ASN CB C 40.492 0.300 1 1526 144 144 ASN CG C 177.232 0.300 1 1527 144 144 ASN N N 117.809 0.300 1 1528 144 144 ASN ND2 N 115.985 0.300 1 1529 145 145 THR H H 8.862 0.020 1 1530 145 145 THR HA H 4.855 0.020 1 1531 145 145 THR HB H 4.376 0.020 1 1532 145 145 THR HG2 H 1.034 0.020 1 1533 145 145 THR C C 171.589 0.300 1 1534 145 145 THR CA C 59.850 0.300 1 1535 145 145 THR CB C 70.677 0.300 1 1536 145 145 THR CG2 C 22.799 0.300 1 1537 145 145 THR N N 112.423 0.300 1 1538 146 146 ASN H H 6.464 0.020 1 1539 146 146 ASN HA H 4.803 0.020 1 1540 146 146 ASN HB2 H 2.078 0.020 2 1541 146 146 ASN HB3 H 1.919 0.020 2 1542 146 146 ASN HD21 H 7.726 0.020 2 1543 146 146 ASN HD22 H 7.248 0.020 2 1544 146 146 ASN C C 173.647 0.300 1 1545 146 146 ASN CA C 53.137 0.300 1 1546 146 146 ASN CB C 40.879 0.300 1 1547 146 146 ASN CG C 176.460 0.300 1 1548 146 146 ASN N N 117.256 0.300 1 1549 146 146 ASN ND2 N 114.215 0.300 1 1550 147 147 PHE H H 9.327 0.020 1 1551 147 147 PHE HA H 4.900 0.020 1 1552 147 147 PHE HB2 H 2.199 0.020 2 1553 147 147 PHE HB3 H 2.882 0.020 2 1554 147 147 PHE C C 173.951 0.300 1 1555 147 147 PHE CA C 57.216 0.300 1 1556 147 147 PHE CB C 42.594 0.300 1 1557 147 147 PHE N N 120.748 0.300 1 1558 148 148 TYR H H 9.362 0.020 1 1559 148 148 TYR HA H 4.491 0.020 1 1560 148 148 TYR HB2 H 2.554 0.020 2 1561 148 148 TYR HB3 H 2.806 0.020 2 1562 148 148 TYR C C 174.329 0.300 1 1563 148 148 TYR CA C 57.737 0.300 1 1564 148 148 TYR CB C 38.526 0.300 1 1565 148 148 TYR N N 121.361 0.300 1 1566 149 149 LEU H H 8.053 0.020 1 1567 149 149 LEU HA H 4.990 0.020 1 1568 149 149 LEU HB2 H 1.156 0.020 2 1569 149 149 LEU HB3 H 0.906 0.020 2 1570 149 149 LEU HG H 1.144 0.020 1 1571 149 149 LEU HD1 H 0.254 0.020 2 1572 149 149 LEU HD2 H 0.132 0.020 2 1573 149 149 LEU C C 176.249 0.300 1 1574 149 149 LEU CA C 53.344 0.300 1 1575 149 149 LEU CB C 42.257 0.300 1 1576 149 149 LEU CG C 27.904 0.300 1 1577 149 149 LEU CD1 C 24.512 0.300 1 1578 149 149 LEU CD2 C 23.644 0.300 1 1579 149 149 LEU N N 124.696 0.300 1 1580 150 150 ASP H H 8.560 0.020 1 1581 150 150 ASP HA H 5.063 0.020 1 1582 150 150 ASP HB2 H 2.432 0.020 2 1583 150 150 ASP HB3 H 2.562 0.020 2 1584 150 150 ASP C C 175.380 0.300 1 1585 150 150 ASP CA C 52.846 0.300 1 1586 150 150 ASP CB C 43.073 0.300 1 1587 150 150 ASP N N 123.813 0.300 1 1588 151 151 SER H H 9.020 0.020 1 1589 151 151 SER HA H 4.296 0.020 1 1590 151 151 SER HB2 H 3.769 0.020 2 1591 151 151 SER C C 174.675 0.300 1 1592 151 151 SER CA C 59.477 0.300 1 1593 151 151 SER CB C 63.228 0.300 1 1594 151 151 SER N N 120.173 0.300 1 1595 152 152 VAL H H 7.673 0.020 1 1596 152 152 VAL HA H 4.295 0.020 1 1597 152 152 VAL HB H 1.921 0.020 1 1598 152 152 VAL HG1 H 0.626 0.020 2 1599 152 152 VAL HG2 H 0.779 0.020 2 1600 152 152 VAL C C 174.560 0.300 1 1601 152 152 VAL CA C 60.596 0.300 1 1602 152 152 VAL CB C 33.875 0.300 1 1603 152 152 VAL CG1 C 20.015 0.300 1 1604 152 152 VAL CG2 C 21.561 0.300 1 1605 152 152 VAL N N 122.239 0.300 1 1606 153 153 GLU H H 7.826 0.020 1 1607 153 153 GLU HA H 3.928 0.020 1 1608 153 153 GLU HB2 H 1.876 0.020 2 1609 153 153 GLU HB3 H 1.703 0.020 2 1610 153 153 GLU HG2 H 2.056 0.020 2 1611 153 153 GLU C C 181.226 0.300 1 1612 153 153 GLU CA C 57.984 0.300 1 1613 153 153 GLU CB C 30.947 0.300 1 1614 153 153 GLU CG C 30.941 0.300 1 1615 153 153 GLU N N 127.377 0.300 1 stop_ save_