data_27951 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical shift assignments of gypsy moth Lymantria dispar pheromone-binding protein 1 (LdisPBP1) ; _BMRB_accession_number 27951 _BMRB_flat_file_name bmr27951.str _Entry_type original _Submission_date 2019-06-19 _Accession_date 2019-06-19 _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 Terrado Mailyn . . 2 Okon Mark . . 3 McIntosh Lawrence . . 4 Plettner Erika . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 823 "13C chemical shifts" 610 "15N chemical shifts" 156 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-09-18 original BMRB . stop_ _Original_release_date 2019-06-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Ligand- and pH-Induced Structural Transition of Gypsy Moth Lymantria dispar Pheromone-Binding Protein 1 (LdisPBP1) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32877603 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Terrado Mailyn . . 2 Okon Mark . . 3 McIntosh Lawrence . . 4 Plettner Erika . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume . _Journal_issue . _Journal_ISSN 1520-4995 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2020 _Details . loop_ _Keyword 'Lymantria dispar' NMR olfaction 'pheromone-binding protein' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PBP1 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PBP1 $PBP1 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_PBP1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PBP1 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; GSGGGSKEVMKQMTINFAKP MEACKQELNVPDAVMQDFFN FWKEGYQITNREAGCVILCL AKKLELLDQDMNLHHGKAME FAMKHGADEAMAKQLLDIKH SCEKVITIVADDPCQTMLNL AMCFKAEIHKLDWAPTLDVA VGELLADT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -4 GLY 2 -3 SER 3 -2 GLY 4 -1 GLY 5 0 GLY 6 1 SER 7 2 LYS 8 3 GLU 9 4 VAL 10 5 MET 11 6 LYS 12 7 GLN 13 8 MET 14 9 THR 15 10 ILE 16 11 ASN 17 12 PHE 18 13 ALA 19 14 LYS 20 15 PRO 21 16 MET 22 17 GLU 23 18 ALA 24 19 CYS 25 20 LYS 26 21 GLN 27 22 GLU 28 23 LEU 29 24 ASN 30 25 VAL 31 26 PRO 32 27 ASP 33 28 ALA 34 29 VAL 35 30 MET 36 31 GLN 37 32 ASP 38 33 PHE 39 34 PHE 40 35 ASN 41 36 PHE 42 37 TRP 43 38 LYS 44 39 GLU 45 40 GLY 46 41 TYR 47 42 GLN 48 43 ILE 49 44 THR 50 45 ASN 51 46 ARG 52 47 GLU 53 48 ALA 54 49 GLY 55 50 CYS 56 51 VAL 57 52 ILE 58 53 LEU 59 54 CYS 60 55 LEU 61 56 ALA 62 57 LYS 63 58 LYS 64 59 LEU 65 60 GLU 66 61 LEU 67 62 LEU 68 63 ASP 69 64 GLN 70 65 ASP 71 66 MET 72 67 ASN 73 68 LEU 74 69 HIS 75 70 HIS 76 71 GLY 77 72 LYS 78 73 ALA 79 74 MET 80 75 GLU 81 76 PHE 82 77 ALA 83 78 MET 84 79 LYS 85 80 HIS 86 81 GLY 87 82 ALA 88 83 ASP 89 84 GLU 90 85 ALA 91 86 MET 92 87 ALA 93 88 LYS 94 89 GLN 95 90 LEU 96 91 LEU 97 92 ASP 98 93 ILE 99 94 LYS 100 95 HIS 101 96 SER 102 97 CYS 103 98 GLU 104 99 LYS 105 100 VAL 106 101 ILE 107 102 THR 108 103 ILE 109 104 VAL 110 105 ALA 111 106 ASP 112 107 ASP 113 108 PRO 114 109 CYS 115 110 GLN 116 111 THR 117 112 MET 118 113 LEU 119 114 ASN 120 115 LEU 121 116 ALA 122 117 MET 123 118 CYS 124 119 PHE 125 120 LYS 126 121 ALA 127 122 GLU 128 123 ILE 129 124 HIS 130 125 LYS 131 126 LEU 132 127 ASP 133 128 TRP 134 129 ALA 135 130 PRO 136 131 THR 137 132 LEU 138 133 ASP 139 134 VAL 140 135 ALA 141 136 VAL 142 137 GLY 143 138 GLU 144 139 LEU 145 140 LEU 146 141 ALA 147 142 ASP 148 143 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PBP1 'gypsy moth' 13123 Eukaryota Metazoa Lymantria dispar 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 $PBP1 'recombinant technology' . Escherichia coli . pET30Xa/LIC stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'PBP 1 in 50 mM sodium acetate pH 4.5 buffer, 1 mM EDTA, 0.05% sodium azide, 5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PBP1 1.2 mM '[U-100% 13C; U-100% 15N]' 'sodium acetate' 50 mM 'natural abundance' EDTA 1 mM 'natural abundance' 'sodium azide' 0.05 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _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_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_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_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 4.5 . pH pressure 1 . atm temperature 273 . 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' '2D 1H-13C HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D C(CO)NH' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D HCCH-TOCSY' 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 PBP1 _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 6 SER H H 8.267 0.01 1 2 1 6 SER HA H 4.428 0.01 1 3 1 6 SER HB2 H 3.913 0.01 2 4 1 6 SER HB3 H 3.877 0.01 2 5 1 6 SER C C 175.098 0.04 1 6 1 6 SER CA C 58.828 0.02 1 7 1 6 SER CB C 63.919 0.07 1 8 1 6 SER N N 115.849 0.07 1 9 2 7 LYS H H 8.393 0.01 1 10 2 7 LYS HA H 4.290 0.01 1 11 2 7 LYS HB2 H 1.829 0.01 2 12 2 7 LYS HB3 H 1.796 0.01 2 13 2 7 LYS HG2 H 1.465 0.01 2 14 2 7 LYS HG3 H 1.422 0.01 2 15 2 7 LYS HD2 H 1.675 0.01 2 16 2 7 LYS HD3 H 1.675 0.01 2 17 2 7 LYS HE2 H 2.988 0.01 2 18 2 7 LYS HE3 H 2.988 0.01 2 19 2 7 LYS C C 177.015 0.04 1 20 2 7 LYS CA C 57.075 0.03 1 21 2 7 LYS CB C 32.811 0.08 1 22 2 7 LYS CG C 24.625 0.08 1 23 2 7 LYS CD C 29.072 0.08 1 24 2 7 LYS CE C 42.349 0.08 1 25 2 7 LYS N N 122.998 0.04 1 26 3 8 GLU H H 8.277 0.01 1 27 3 8 GLU HA H 4.295 0.01 1 28 3 8 GLU HB2 H 2.067 0.02 2 29 3 8 GLU HB3 H 1.971 0.01 2 30 3 8 GLU HG2 H 2.315 0.01 2 31 3 8 GLU HG3 H 2.315 0.01 2 32 3 8 GLU C C 176.933 0.04 1 33 3 8 GLU CA C 56.987 0.04 1 34 3 8 GLU CB C 29.700 0.06 1 35 3 8 GLU CG C 35.592 0.16 1 36 3 8 GLU N N 121.440 0.18 1 37 4 9 VAL H H 8.044 0.01 1 38 4 9 VAL HA H 4.034 0.01 1 39 4 9 VAL HB H 2.105 0.01 1 40 4 9 VAL HG1 H 0.988 0.01 2 41 4 9 VAL HG2 H 0.988 0.01 2 42 4 9 VAL C C 176.895 0.05 1 43 4 9 VAL CA C 63.364 0.08 1 44 4 9 VAL CB C 32.630 0.06 1 45 4 9 VAL CG1 C 21.351 0.06 2 46 4 9 VAL CG2 C 21.351 0.06 2 47 4 9 VAL N N 120.610 0.21 1 48 5 10 MET H H 8.336 0.01 1 49 5 10 MET HA H 4.359 0.01 1 50 5 10 MET HB2 H 2.027 0.01 2 51 5 10 MET HB3 H 2.027 0.01 2 52 5 10 MET HG2 H 2.552 0.01 2 53 5 10 MET HG3 H 2.552 0.01 2 54 5 10 MET C C 176.899 0.05 1 55 5 10 MET CA C 56.572 0.04 1 56 5 10 MET CB C 32.471 0.04 1 57 5 10 MET CG C 31.092 0.04 1 58 5 10 MET N N 122.058 0.09 1 59 6 11 LYS H H 8.156 0.01 1 60 6 11 LYS HA H 4.172 0.01 1 61 6 11 LYS HB2 H 1.832 0.01 2 62 6 11 LYS HB3 H 1.897 0.01 2 63 6 11 LYS HG2 H 1.476 0.01 2 64 6 11 LYS HG3 H 1.500 0.01 2 65 6 11 LYS HD2 H 1.707 0.01 2 66 6 11 LYS HD3 H 1.707 0.01 2 67 6 11 LYS HE2 H 2.993 0.01 2 68 6 11 LYS HE3 H 2.993 0.01 2 69 6 11 LYS C C 176.950 0.07 1 70 6 11 LYS CA C 57.649 0.09 1 71 6 11 LYS CB C 32.859 0.06 1 72 6 11 LYS N N 122.499 0.07 1 73 7 12 GLN H H 8.099 0.01 1 74 7 12 GLN HE21 H 6.859 0.01 2 75 7 12 GLN HE22 H 7.471 0.01 2 76 7 12 GLN C C 176.488 0.05 1 77 7 12 GLN CA C 56.638 0.05 1 78 7 12 GLN CB C 29.560 0.05 1 79 7 12 GLN CG C 33.767 0.05 1 80 7 12 GLN N N 119.351 0.06 1 81 7 12 GLN NE2 N 112.113 0.13 1 82 11 16 ASN HD21 H 7.011 0.01 2 83 11 16 ASN HD22 H 7.730 0.01 2 84 11 16 ASN ND2 N 111.375 0.01 1 85 13 18 ALA HA H 4.089 0.01 1 86 13 18 ALA HB H 1.567 0.01 2 87 13 18 ALA C C 180.136 0.04 1 88 13 18 ALA CA C 57.443 0.04 1 89 13 18 ALA CB C 19.089 0.03 1 90 14 19 LYS H H 9.376 0.01 1 91 14 19 LYS HA H 4.386 0.01 1 92 14 19 LYS HB2 H 1.986 0.01 2 93 14 19 LYS HB3 H 1.986 0.01 2 94 14 19 LYS HG2 H 1.618 0.01 2 95 14 19 LYS HG3 H 1.618 0.01 2 96 14 19 LYS HD2 H 1.806 0.01 2 97 14 19 LYS HD3 H 1.806 0.01 2 98 14 19 LYS HE2 H 3.052 0.01 2 99 14 19 LYS HE3 H 3.052 0.01 2 100 14 19 LYS C C 177.716 0.05 1 101 14 19 LYS CA C 61.208 0.04 1 102 14 19 LYS CB C 29.494 0.04 1 103 14 19 LYS N N 115.630 0.05 1 104 15 20 PRO HA H 4.244 0.01 1 105 15 20 PRO HB2 H 2.305 0.01 2 106 15 20 PRO HB3 H 1.804 0.01 2 107 15 20 PRO HG2 H 2.054 0.01 2 108 15 20 PRO HG3 H 1.960 0.01 2 109 15 20 PRO HD2 H 3.748 0.01 2 110 15 20 PRO HD3 H 3.262 0.01 2 111 15 20 PRO C C 177.762 0.07 1 112 15 20 PRO CA C 66.261 0.05 1 113 15 20 PRO CB C 31.343 0.03 1 114 15 20 PRO CG C 27.849 0.02 1 115 15 20 PRO CD C 49.377 0.03 1 116 16 21 MET H H 8.326 0.01 1 117 16 21 MET HA H 3.764 0.01 1 118 16 21 MET HB2 H 2.260 0.01 2 119 16 21 MET HB3 H 2.018 0.01 2 120 16 21 MET HG2 H 2.694 0.01 2 121 16 21 MET HG3 H 2.310 0.01 2 122 16 21 MET C C 177.813 0.04 1 123 16 21 MET CA C 60.030 0.06 1 124 16 21 MET CB C 32.406 0.01 1 125 16 21 MET CG C 34.364 0.04 1 126 16 21 MET N N 116.311 0.13 1 127 17 22 GLU H H 8.156 0.01 1 128 17 22 GLU HA H 4.053 0.01 1 129 17 22 GLU HB2 H 2.211 0.01 2 130 17 22 GLU HB3 H 2.148 0.01 2 131 17 22 GLU HG2 H 2.413 0.01 2 132 17 22 GLU HG3 H 2.413 0.01 2 133 17 22 GLU C C 178.870 0.04 1 134 17 22 GLU CA C 59.374 0.04 1 135 17 22 GLU CB C 28.992 0.05 1 136 17 22 GLU CG C 35.115 0.05 1 137 17 22 GLU N N 120.849 0.05 1 138 18 23 ALA H H 7.673 0.01 1 139 18 23 ALA HA H 4.196 0.01 1 140 18 23 ALA HB H 1.404 0.01 2 141 18 23 ALA C C 181.315 0.04 1 142 18 23 ALA CA C 54.908 0.06 1 143 18 23 ALA CB C 18.300 0.02 1 144 18 23 ALA N N 120.817 0.06 1 145 19 24 CYS H H 8.506 0.01 1 146 19 24 CYS HA H 4.223 0.01 1 147 19 24 CYS HB2 H 2.962 0.01 2 148 19 24 CYS HB3 H 2.545 0.01 2 149 19 24 CYS C C 175.391 0.03 1 150 19 24 CYS CA C 60.271 0.07 1 151 19 24 CYS CB C 41.836 0.02 1 152 19 24 CYS N N 116.451 0.07 1 153 20 25 LYS H H 8.783 0.01 1 154 20 25 LYS HA H 3.975 0.01 1 155 20 25 LYS HB2 H 1.998 0.01 2 156 20 25 LYS HB3 H 1.933 0.01 2 157 20 25 LYS HG2 H 1.417 0.01 2 158 20 25 LYS HG3 H 1.417 0.01 2 159 20 25 LYS HD2 H 1.741 0.01 2 160 20 25 LYS HD3 H 1.656 0.01 2 161 20 25 LYS HE2 H 2.954 0.01 2 162 20 25 LYS HE3 H 2.954 0.01 2 163 20 25 LYS C C 179.007 0.03 1 164 20 25 LYS CA C 61.055 0.04 1 165 20 25 LYS CB C 32.408 0.03 1 166 20 25 LYS CG C 25.026 0.06 1 167 20 25 LYS CD C 29.802 0.06 1 168 20 25 LYS CE C 42.375 0.06 1 169 20 25 LYS N N 124.292 0.08 1 170 21 26 GLN H H 7.312 0.01 1 171 21 26 GLN HA H 4.164 0.01 1 172 21 26 GLN HB2 H 2.161 0.01 2 173 21 26 GLN HB3 H 2.161 0.01 2 174 21 26 GLN HG2 H 2.547 0.01 2 175 21 26 GLN HG3 H 2.426 0.01 2 176 21 26 GLN HE21 H 6.770 0.01 2 177 21 26 GLN HE22 H 7.489 0.01 2 178 21 26 GLN C C 178.230 0.10 1 179 21 26 GLN CA C 58.144 0.05 1 180 21 26 GLN CB C 28.606 0.01 1 181 21 26 GLN CG C 33.892 0.03 1 182 21 26 GLN N N 115.504 0.05 1 183 21 26 GLN NE2 N 111.527 0.02 1 184 22 27 GLU H H 7.946 0.01 1 185 22 27 GLU HA H 4.021 0.01 1 186 22 27 GLU HB2 H 2.135 0.01 2 187 22 27 GLU HB3 H 2.011 0.01 2 188 22 27 GLU HG2 H 2.370 0.01 2 189 22 27 GLU HG3 H 2.127 0.01 2 190 22 27 GLU C C 178.348 0.03 1 191 22 27 GLU CA C 59.358 0.05 1 192 22 27 GLU CB C 30.820 0.02 1 193 22 27 GLU CG C 36.204 0.03 1 194 22 27 GLU N N 119.023 0.04 1 195 23 28 LEU H H 8.501 0.01 1 196 23 28 LEU HA H 4.184 0.01 1 197 23 28 LEU HB2 H 1.767 0.01 2 198 23 28 LEU HB3 H 1.419 0.01 2 199 23 28 LEU HG H 1.862 0.01 1 200 23 28 LEU HD1 H 0.648 0.01 2 201 23 28 LEU HD2 H 0.770 0.01 2 202 23 28 LEU C C 177.210 0.04 1 203 23 28 LEU CA C 55.382 0.05 1 204 23 28 LEU CB C 43.222 0.04 1 205 23 28 LEU CG C 27.293 0.07 1 206 23 28 LEU CD1 C 25.816 0.01 2 207 23 28 LEU CD2 C 22.462 0.02 2 208 23 28 LEU N N 115.473 0.04 1 209 24 29 ASN H H 7.881 0.01 1 210 24 29 ASN HA H 4.416 0.01 1 211 24 29 ASN HB2 H 3.257 0.01 2 212 24 29 ASN HB3 H 2.547 0.01 2 213 24 29 ASN HD21 H 6.680 0.01 2 214 24 29 ASN HD22 H 7.446 0.01 2 215 24 29 ASN C C 174.366 0.03 1 216 24 29 ASN CA C 54.042 0.04 1 217 24 29 ASN CB C 37.070 0.04 1 218 24 29 ASN N N 117.188 0.05 1 219 24 29 ASN ND2 N 111.273 0.01 1 220 25 30 VAL H H 7.049 0.01 1 221 25 30 VAL HA H 4.831 0.01 1 222 25 30 VAL HB H 2.000 0.01 1 223 25 30 VAL HG1 H 0.832 0.01 2 224 25 30 VAL HG2 H 0.707 0.01 2 225 25 30 VAL C C 173.779 0.03 1 226 25 30 VAL CA C 57.304 0.01 1 227 25 30 VAL CB C 32.776 0.01 1 228 25 30 VAL CG1 C 21.897 0.01 2 229 25 30 VAL CG2 C 19.119 0.01 2 230 25 30 VAL N N 109.350 0.05 1 231 26 31 PRO HA H 4.640 0.01 1 232 26 31 PRO HB2 H 2.448 0.01 2 233 26 31 PRO HB3 H 2.096 0.01 2 234 26 31 PRO HG2 H 2.120 0.01 2 235 26 31 PRO HG3 H 1.949 0.01 2 236 26 31 PRO HD2 H 3.860 0.01 2 237 26 31 PRO HD3 H 3.529 0.01 2 238 26 31 PRO C C 177.480 0.03 1 239 26 31 PRO CA C 61.866 0.05 1 240 26 31 PRO CB C 32.975 0.06 1 241 26 31 PRO CG C 27.603 0.04 1 242 26 31 PRO CD C 50.622 0.01 1 243 27 32 ASP H H 8.737 0.01 1 244 27 32 ASP HA H 4.208 0.01 1 245 27 32 ASP HB2 H 2.644 0.01 2 246 27 32 ASP HB3 H 2.579 0.01 2 247 27 32 ASP C C 178.492 0.04 1 248 27 32 ASP CA C 58.298 0.08 1 249 27 32 ASP CB C 40.774 0.03 1 250 27 32 ASP N N 121.114 0.06 1 251 28 33 ALA H H 8.573 0.01 1 252 28 33 ALA HA H 4.026 0.01 1 253 28 33 ALA HB H 1.419 0.01 2 254 28 33 ALA C C 179.898 0.04 1 255 28 33 ALA CA C 55.429 0.02 1 256 28 33 ALA CB C 18.701 0.03 1 257 28 33 ALA N N 118.789 0.07 1 258 29 34 VAL H H 7.094 0.01 1 259 29 34 VAL HA H 3.795 0.01 1 260 29 34 VAL HB H 1.978 0.01 1 261 29 34 VAL HG1 H 1.022 0.01 2 262 29 34 VAL HG2 H 0.788 0.01 2 263 29 34 VAL C C 178.082 0.04 1 264 29 34 VAL CA C 65.170 0.04 1 265 29 34 VAL CB C 31.919 0.07 1 266 29 34 VAL CG1 C 23.123 0.01 2 267 29 34 VAL CG2 C 21.408 0.06 2 268 29 34 VAL N N 116.310 0.04 1 269 30 35 MET H H 7.156 0.01 1 270 30 35 MET HA H 4.279 0.01 1 271 30 35 MET HB2 H 2.388 0.01 2 272 30 35 MET HB3 H 2.141 0.01 2 273 30 35 MET HG2 H 2.707 0.01 2 274 30 35 MET HG3 H 2.415 0.01 2 275 30 35 MET C C 179.130 0.03 1 276 30 35 MET CA C 56.563 0.06 1 277 30 35 MET CB C 29.236 0.02 1 278 30 35 MET CG C 31.594 0.09 1 279 30 35 MET N N 117.375 0.04 1 280 31 36 GLN H H 8.040 0.01 1 281 31 36 GLN HA H 4.188 0.01 1 282 31 36 GLN HB2 H 2.245 0.01 2 283 31 36 GLN HB3 H 2.149 0.01 2 284 31 36 GLN HG2 H 2.536 0.01 2 285 31 36 GLN HG3 H 2.536 0.01 2 286 31 36 GLN HE21 H 6.800 0.01 2 287 31 36 GLN HE22 H 7.531 0.01 2 288 31 36 GLN C C 178.197 0.03 1 289 31 36 GLN CA C 57.980 0.04 1 290 31 36 GLN CB C 27.907 0.02 1 291 31 36 GLN CG C 33.842 0.02 1 292 31 36 GLN N N 115.617 0.04 1 293 31 36 GLN NE2 N 112.224 0.02 1 294 32 37 ASP H H 7.836 0.01 1 295 32 37 ASP HA H 4.513 0.01 1 296 32 37 ASP HB2 H 3.167 0.01 2 297 32 37 ASP HB3 H 2.627 0.01 2 298 32 37 ASP C C 177.781 0.04 1 299 32 37 ASP CA C 57.188 0.03 1 300 32 37 ASP CB C 39.828 0.04 1 301 32 37 ASP N N 120.087 0.05 1 302 33 38 PHE H H 7.773 0.01 1 303 33 38 PHE HA H 3.952 0.01 1 304 33 38 PHE HB2 H 2.907 0.01 2 305 33 38 PHE HB3 H 2.692 0.01 2 306 33 38 PHE HD1 H 6.263 0.01 3 307 33 38 PHE HD2 H 6.263 0.01 3 308 33 38 PHE HE1 H 6.559 0.01 3 309 33 38 PHE HE2 H 6.559 0.01 3 310 33 38 PHE HZ H 6.476 0.01 1 311 33 38 PHE C C 174.930 0.04 1 312 33 38 PHE CA C 61.631 0.06 1 313 33 38 PHE CB C 39.080 0.17 1 314 33 38 PHE CD1 C 132.135 0.04 3 315 33 38 PHE CD2 C 132.135 0.04 3 316 33 38 PHE CE1 C 129.913 0.04 3 317 33 38 PHE CE2 C 129.913 0.04 3 318 33 38 PHE CZ C 128.691 0.04 1 319 33 38 PHE N N 118.629 0.05 1 320 34 39 PHE H H 7.035 0.01 1 321 34 39 PHE HA H 4.150 0.01 1 322 34 39 PHE HB2 H 3.247 0.01 2 323 34 39 PHE HB3 H 3.005 0.01 2 324 34 39 PHE HD1 H 7.356 0.01 3 325 34 39 PHE HD2 H 7.356 0.01 3 326 34 39 PHE HE1 H 7.458 0.01 3 327 34 39 PHE HE2 H 7.458 0.01 3 328 34 39 PHE HZ H 7.381 0.01 1 329 34 39 PHE C C 179.102 0.04 1 330 34 39 PHE CA C 60.752 0.03 1 331 34 39 PHE CB C 38.873 0.04 1 332 34 39 PHE CD1 C 131.068 0.04 3 333 34 39 PHE CD2 C 131.068 0.04 3 334 34 39 PHE CE1 C 131.752 0.04 3 335 34 39 PHE CE2 C 131.752 0.04 3 336 34 39 PHE CZ C 130.168 0.04 1 337 34 39 PHE N N 113.931 0.05 1 338 35 40 ASN H H 8.143 0.01 1 339 35 40 ASN HA H 4.096 0.01 1 340 35 40 ASN HB2 H 2.520 0.01 2 341 35 40 ASN HB3 H 2.045 0.01 2 342 35 40 ASN HD21 H 6.993 0.01 2 343 35 40 ASN HD22 H 7.818 0.01 2 344 35 40 ASN C C 175.844 0.04 1 345 35 40 ASN CA C 55.208 0.03 1 346 35 40 ASN CB C 37.502 0.04 1 347 35 40 ASN N N 117.147 0.05 1 348 35 40 ASN ND2 N 112.483 0.02 1 349 36 41 PHE H H 7.817 0.01 1 350 36 41 PHE HA H 3.436 0.01 1 351 36 41 PHE HB2 H 2.906 0.01 2 352 36 41 PHE HB3 H 2.012 0.01 2 353 36 41 PHE HD1 H 5.653 0.01 3 354 36 41 PHE HD2 H 5.653 0.01 3 355 36 41 PHE HE1 H 6.500 0.01 3 356 36 41 PHE HE2 H 6.500 0.01 3 357 36 41 PHE HZ H 6.604 0.01 1 358 36 41 PHE C C 174.985 0.04 1 359 36 41 PHE CA C 61.096 0.06 1 360 36 41 PHE CB C 39.232 0.10 1 361 36 41 PHE CD1 C 131.223 0.04 3 362 36 41 PHE CD2 C 131.223 0.04 3 363 36 41 PHE CE1 C 130.622 0.04 3 364 36 41 PHE CE2 C 130.622 0.04 3 365 36 41 PHE CZ C 128.489 0.04 1 366 36 41 PHE N N 118.435 0.04 1 367 37 42 TRP H H 6.581 0.01 1 368 37 42 TRP HA H 4.046 0.01 1 369 37 42 TRP HB2 H 2.827 0.01 2 370 37 42 TRP HB3 H 2.827 0.01 2 371 37 42 TRP HD1 H 7.212 0.01 1 372 37 42 TRP HE3 H 7.633 0.01 1 373 37 42 TRP HZ2 H 6.963 0.01 1 374 37 42 TRP HZ3 H 7.036 0.01 1 375 37 42 TRP HH2 H 7.142 0.01 1 376 37 42 TRP C C 175.905 0.04 1 377 37 42 TRP CA C 55.906 0.03 1 378 37 42 TRP CB C 30.486 0.03 1 379 37 42 TRP CD1 C 129.588 0.04 1 380 37 42 TRP CE3 C 121.170 0.04 1 381 37 42 TRP CZ2 C 113.414 0.04 1 382 37 42 TRP CZ3 C 120.652 0.04 1 383 37 42 TRP CH2 C 123.671 0.04 1 384 37 42 TRP N N 114.072 0.06 1 385 38 43 LYS H H 7.536 0.01 1 386 38 43 LYS HA H 4.271 0.01 1 387 38 43 LYS HB2 H 1.878 0.01 2 388 38 43 LYS HB3 H 1.817 0.01 2 389 38 43 LYS HG2 H 1.586 0.01 2 390 38 43 LYS HG3 H 1.439 0.01 2 391 38 43 LYS HD2 H 1.638 0.01 2 392 38 43 LYS HD3 H 1.498 0.01 2 393 38 43 LYS HE2 H 2.941 0.02 2 394 38 43 LYS HE3 H 2.874 0.01 2 395 38 43 LYS C C 177.311 0.04 1 396 38 43 LYS CA C 56.858 0.06 1 397 38 43 LYS CB C 33.940 0.03 1 398 38 43 LYS CG C 25.812 0.04 1 399 38 43 LYS CD C 29.522 0.01 1 400 38 43 LYS N N 120.289 0.07 1 401 39 44 GLU H H 8.774 0.01 1 402 39 44 GLU HA H 4.083 0.01 1 403 39 44 GLU HB2 H 1.968 0.01 2 404 39 44 GLU HB3 H 1.968 0.01 2 405 39 44 GLU HG2 H 2.311 0.01 2 406 39 44 GLU HG3 H 2.311 0.01 2 407 39 44 GLU C C 177.642 0.03 1 408 39 44 GLU CA C 57.625 0.06 1 409 39 44 GLU CB C 29.359 0.03 1 410 39 44 GLU CG C 35.714 0.01 1 411 39 44 GLU N N 124.123 0.05 1 412 40 45 GLY H H 8.706 0.01 1 413 40 45 GLY HA2 H 4.042 0.01 2 414 40 45 GLY HA3 H 3.624 0.01 2 415 40 45 GLY C C 173.680 0.04 1 416 40 45 GLY CA C 45.386 0.02 1 417 40 45 GLY N N 111.342 0.05 1 418 41 46 TYR H H 7.342 0.01 1 419 41 46 TYR HA H 4.332 0.01 1 420 41 46 TYR HB2 H 2.838 0.01 2 421 41 46 TYR HB3 H 2.606 0.01 2 422 41 46 TYR HD1 H 6.907 0.01 3 423 41 46 TYR HD2 H 6.907 0.01 3 424 41 46 TYR HE1 H 6.729 0.01 3 425 41 46 TYR HE2 H 6.729 0.01 3 426 41 46 TYR C C 175.266 0.03 1 427 41 46 TYR CA C 58.156 0.04 1 428 41 46 TYR CB C 40.191 0.02 1 429 41 46 TYR CD1 C 133.288 0.04 3 430 41 46 TYR CD2 C 133.288 0.04 3 431 41 46 TYR CE1 C 118.214 0.04 3 432 41 46 TYR CE2 C 118.214 0.04 3 433 41 46 TYR N N 120.305 0.05 1 434 42 47 GLN H H 8.401 0.01 1 435 42 47 GLN HA H 4.353 0.01 1 436 42 47 GLN HB2 H 1.873 0.01 2 437 42 47 GLN HB3 H 1.759 0.01 2 438 42 47 GLN HG2 H 2.124 0.01 2 439 42 47 GLN HG3 H 2.124 0.01 2 440 42 47 GLN HE21 H 6.604 0.01 2 441 42 47 GLN HE22 H 7.245 0.01 2 442 42 47 GLN C C 174.187 0.04 1 443 42 47 GLN CA C 54.585 0.04 1 444 42 47 GLN CB C 29.577 0.02 1 445 42 47 GLN CG C 33.454 0.01 1 446 42 47 GLN N N 124.596 0.04 1 447 42 47 GLN NE2 N 111.356 0.03 1 448 43 48 ILE H H 7.971 0.01 1 449 43 48 ILE HA H 4.271 0.01 1 450 43 48 ILE HB H 1.919 0.01 1 451 43 48 ILE HG12 H 1.417 0.01 2 452 43 48 ILE HG13 H 1.314 0.01 2 453 43 48 ILE HG2 H 0.965 0.01 2 454 43 48 ILE HD1 H 0.839 0.01 2 455 43 48 ILE C C 175.741 0.03 1 456 43 48 ILE CA C 60.007 0.09 1 457 43 48 ILE CB C 37.994 0.03 1 458 43 48 ILE CG1 C 27.167 0.04 2 459 43 48 ILE CG2 C 17.650 0.04 2 460 43 48 ILE CD1 C 12.068 0.04 1 461 43 48 ILE N N 125.090 0.03 1 462 44 49 THR H H 8.378 0.01 1 463 44 49 THR HA H 4.489 0.01 1 464 44 49 THR HB H 4.419 0.01 1 465 44 49 THR HG2 H 1.057 0.01 2 466 44 49 THR C C 174.004 0.03 1 467 44 49 THR CA C 60.688 0.04 1 468 44 49 THR CB C 69.831 0.07 1 469 44 49 THR CG2 C 21.297 0.04 1 470 44 49 THR N N 115.349 0.05 1 471 45 50 ASN H H 7.507 0.01 1 472 45 50 ASN HA H 4.672 0.01 1 473 45 50 ASN HB2 H 2.906 0.01 2 474 45 50 ASN HB3 H 2.883 0.01 2 475 45 50 ASN HD21 H 7.028 0.01 2 476 45 50 ASN HD22 H 7.981 0.01 2 477 45 50 ASN C C 175.960 0.04 1 478 45 50 ASN CA C 53.244 0.09 1 479 45 50 ASN CB C 39.455 0.02 1 480 45 50 ASN N N 120.964 0.04 1 481 45 50 ASN ND2 N 113.427 0.03 1 482 46 51 ARG H H 8.891 0.01 1 483 46 51 ARG HA H 3.872 0.01 1 484 46 51 ARG HB2 H 1.977 0.01 2 485 46 51 ARG HB3 H 1.755 0.01 2 486 46 51 ARG HG2 H 1.746 0.01 2 487 46 51 ARG HG3 H 1.504 0.01 2 488 46 51 ARG HD2 H 3.418 0.01 2 489 46 51 ARG HD3 H 3.140 0.01 2 490 46 51 ARG C C 177.731 0.03 1 491 46 51 ARG CA C 59.487 0.03 1 492 46 51 ARG CB C 29.048 0.02 1 493 46 51 ARG CG C 25.556 0.03 1 494 46 51 ARG CD C 42.482 0.04 1 495 46 51 ARG N N 124.942 0.04 1 496 47 52 GLU H H 8.705 0.01 1 497 47 52 GLU HA H 4.106 0.01 1 498 47 52 GLU HB2 H 2.015 0.01 2 499 47 52 GLU HB3 H 1.912 0.01 2 500 47 52 GLU HG2 H 2.444 0.01 2 501 47 52 GLU HG3 H 2.444 0.01 2 502 47 52 GLU C C 178.820 0.03 1 503 47 52 GLU CA C 59.047 0.04 1 504 47 52 GLU CB C 28.306 0.02 1 505 47 52 GLU CG C 33.904 0.01 1 506 47 52 GLU N N 120.323 0.06 1 507 48 53 ALA H H 8.098 0.01 1 508 48 53 ALA HA H 3.977 0.01 1 509 48 53 ALA HB H 1.329 0.01 2 510 48 53 ALA C C 180.658 0.03 1 511 48 53 ALA CA C 55.658 0.03 1 512 48 53 ALA CB C 17.568 0.02 1 513 48 53 ALA N N 120.620 0.04 1 514 49 54 GLY H H 7.616 0.01 1 515 49 54 GLY HA2 H 4.403 0.01 2 516 49 54 GLY HA3 H 3.439 0.01 2 517 49 54 GLY C C 175.560 0.04 1 518 49 54 GLY CA C 46.897 0.03 1 519 49 54 GLY N N 103.488 0.04 1 520 50 55 CYS H H 7.484 0.01 1 521 50 55 CYS HA H 4.566 0.01 1 522 50 55 CYS HB2 H 3.217 0.01 2 523 50 55 CYS HB3 H 3.153 0.01 2 524 50 55 CYS C C 178.268 0.05 1 525 50 55 CYS CA C 55.489 0.09 1 526 50 55 CYS CB C 34.790 0.03 1 527 50 55 CYS N N 118.594 0.05 1 528 51 56 VAL H H 8.092 0.01 1 529 51 56 VAL HA H 3.234 0.01 1 530 51 56 VAL HB H 2.216 0.01 1 531 51 56 VAL HG1 H 0.928 0.01 2 532 51 56 VAL HG2 H 0.621 0.01 2 533 51 56 VAL C C 176.644 0.04 1 534 51 56 VAL CA C 67.786 0.01 1 535 51 56 VAL CB C 31.285 0.04 1 536 51 56 VAL CG1 C 23.436 0.02 2 537 51 56 VAL CG2 C 21.934 0.03 2 538 51 56 VAL N N 122.186 0.09 1 539 52 57 ILE H H 7.481 0.01 1 540 52 57 ILE HA H 3.218 0.01 1 541 52 57 ILE HB H 1.770 0.01 1 542 52 57 ILE HG12 H 2.088 0.01 2 543 52 57 ILE HG13 H 0.875 0.01 2 544 52 57 ILE HG2 H 0.901 0.01 2 545 52 57 ILE HD1 H 0.413 0.01 2 546 52 57 ILE C C 176.256 0.04 1 547 52 57 ILE CA C 66.983 0.03 1 548 52 57 ILE CB C 38.235 0.06 1 549 52 57 ILE CG1 C 30.138 0.05 2 550 52 57 ILE CG2 C 17.584 0.04 2 551 52 57 ILE CD1 C 12.715 0.04 1 552 52 57 ILE N N 118.452 0.03 1 553 53 58 LEU H H 7.473 0.01 1 554 53 58 LEU HA H 3.869 0.01 1 555 53 58 LEU HB2 H 1.727 0.01 2 556 53 58 LEU HB3 H 1.477 0.01 2 557 53 58 LEU HG H 1.624 0.01 1 558 53 58 LEU HD1 H 0.827 0.01 2 559 53 58 LEU HD2 H 0.825 0.01 2 560 53 58 LEU C C 178.320 0.03 1 561 53 58 LEU CA C 57.945 0.06 1 562 53 58 LEU CB C 42.738 0.02 1 563 53 58 LEU CG C 26.723 0.03 1 564 53 58 LEU CD1 C 25.466 0.03 2 565 53 58 LEU CD2 C 23.785 0.03 2 566 53 58 LEU N N 115.771 0.07 1 567 54 59 CYS H H 7.783 0.01 1 568 54 59 CYS HA H 4.119 0.01 1 569 54 59 CYS HB2 H 3.281 0.01 2 570 54 59 CYS HB3 H 3.002 0.01 2 571 54 59 CYS C C 176.581 0.03 1 572 54 59 CYS CA C 60.681 0.05 1 573 54 59 CYS CB C 43.218 0.03 1 574 54 59 CYS N N 117.214 0.06 1 575 55 60 LEU H H 8.515 0.01 1 576 55 60 LEU HA H 3.602 0.01 1 577 55 60 LEU HB2 H 1.606 0.01 2 578 55 60 LEU HB3 H 0.850 0.01 2 579 55 60 LEU HG H 1.462 0.01 1 580 55 60 LEU HD1 H 0.353 0.01 2 581 55 60 LEU HD2 H -0.326 0.01 2 582 55 60 LEU C C 179.232 0.03 1 583 55 60 LEU CA C 58.336 0.07 1 584 55 60 LEU CB C 41.984 0.02 1 585 55 60 LEU CG C 26.342 0.03 1 586 55 60 LEU CD1 C 23.160 0.01 2 587 55 60 LEU CD2 C 25.102 0.01 2 588 55 60 LEU N N 121.514 0.05 1 589 56 61 ALA H H 7.754 0.01 1 590 56 61 ALA HA H 3.815 0.01 1 591 56 61 ALA HB H 1.628 0.01 2 592 56 61 ALA C C 179.488 0.03 1 593 56 61 ALA CA C 55.110 0.03 1 594 56 61 ALA CB C 18.692 0.02 1 595 56 61 ALA N N 117.094 0.06 1 596 57 62 LYS H H 7.518 0.01 1 597 57 62 LYS HA H 4.368 0.01 1 598 57 62 LYS HB2 H 2.016 0.01 2 599 57 62 LYS HB3 H 2.016 0.01 2 600 57 62 LYS HG2 H 1.579 0.01 2 601 57 62 LYS HG3 H 1.520 0.01 2 602 57 62 LYS HD2 H 1.632 0.01 2 603 57 62 LYS HD3 H 1.632 0.01 2 604 57 62 LYS HE2 H 3.025 0.01 2 605 57 62 LYS HE3 H 2.910 0.01 2 606 57 62 LYS C C 177.968 0.03 1 607 57 62 LYS CA C 57.005 0.03 1 608 57 62 LYS CB C 33.093 0.07 1 609 57 62 LYS CG C 24.975 0.03 1 610 57 62 LYS CD C 29.154 0.03 1 611 57 62 LYS CE C 42.598 0.03 1 612 57 62 LYS N N 116.518 0.06 1 613 58 63 LYS H H 7.733 0.01 1 614 58 63 LYS HA H 4.752 0.01 1 615 58 63 LYS HB2 H 2.233 0.01 2 616 58 63 LYS HB3 H 1.643 0.01 2 617 58 63 LYS HG2 H 1.541 0.01 2 618 58 63 LYS HG3 H 1.541 0.01 2 619 58 63 LYS HD2 H 1.636 0.01 2 620 58 63 LYS HD3 H 1.636 0.01 2 621 58 63 LYS HE2 H 2.734 0.01 2 622 58 63 LYS HE3 H 2.669 0.01 2 623 58 63 LYS C C 176.932 0.03 1 624 58 63 LYS CA C 55.116 0.03 1 625 58 63 LYS CB C 32.821 0.02 1 626 58 63 LYS CG C 25.126 0.04 1 627 58 63 LYS CD C 28.964 0.02 1 628 58 63 LYS CE C 42.885 0.03 1 629 58 63 LYS N N 119.966 0.05 1 630 59 64 LEU H H 7.573 0.01 1 631 59 64 LEU HA H 3.848 0.01 1 632 59 64 LEU HB2 H 1.904 0.01 2 633 59 64 LEU HB3 H 1.549 0.01 2 634 59 64 LEU HG H 2.034 0.01 1 635 59 64 LEU HD1 H 0.666 0.01 2 636 59 64 LEU HD2 H 0.658 0.01 2 637 59 64 LEU C C 179.689 0.04 1 638 59 64 LEU CA C 57.693 0.08 1 639 59 64 LEU CB C 40.419 0.02 1 640 59 64 LEU CG C 25.826 0.05 1 641 59 64 LEU CD1 C 25.578 0.02 2 642 59 64 LEU CD2 C 22.473 0.03 2 643 59 64 LEU N N 118.300 0.06 1 644 60 65 GLU H H 8.583 0.01 1 645 60 65 GLU HA H 4.299 0.01 1 646 60 65 GLU HB2 H 2.364 0.01 2 647 60 65 GLU HB3 H 1.911 0.01 2 648 60 65 GLU HG2 H 2.504 0.01 2 649 60 65 GLU HG3 H 2.392 0.01 2 650 60 65 GLU C C 176.507 0.04 1 651 60 65 GLU CA C 57.459 0.06 1 652 60 65 GLU CB C 28.114 0.03 1 653 60 65 GLU CG C 36.288 0.02 1 654 60 65 GLU N N 114.947 0.07 1 655 61 66 LEU H H 7.618 0.01 1 656 61 66 LEU HA H 4.323 0.01 1 657 61 66 LEU HB2 H 1.713 0.01 2 658 61 66 LEU HB3 H 1.498 0.01 2 659 61 66 LEU HG H 1.718 0.01 1 660 61 66 LEU HD1 H 0.841 0.01 2 661 61 66 LEU HD2 H 0.829 0.01 2 662 61 66 LEU C C 178.295 0.04 1 663 61 66 LEU CA C 55.543 0.04 1 664 61 66 LEU CB C 42.446 0.02 1 665 61 66 LEU CG C 27.431 0.11 1 666 61 66 LEU CD1 C 25.985 0.08 2 667 61 66 LEU CD2 C 22.805 0.03 2 668 61 66 LEU N N 116.565 0.05 1 669 62 67 LEU H H 7.402 0.01 1 670 62 67 LEU HA H 4.145 0.01 1 671 62 67 LEU HB2 H 1.898 0.01 2 672 62 67 LEU HB3 H 1.340 0.01 2 673 62 67 LEU HG H 1.534 0.01 1 674 62 67 LEU HD1 H 0.719 0.01 2 675 62 67 LEU HD2 H 0.506 0.01 2 676 62 67 LEU C C 176.675 0.03 1 677 62 67 LEU CA C 54.585 0.05 1 678 62 67 LEU CB C 42.892 0.04 1 679 62 67 LEU CG C 27.058 0.03 1 680 62 67 LEU CD1 C 27.955 0.03 2 681 62 67 LEU CD2 C 24.514 0.02 2 682 62 67 LEU N N 118.019 0.06 1 683 63 68 ASP H H 8.304 0.01 1 684 63 68 ASP HA H 4.463 0.01 1 685 63 68 ASP HB2 H 2.832 0.01 2 686 63 68 ASP HB3 H 2.624 0.01 2 687 63 68 ASP C C 178.806 0.03 1 688 63 68 ASP CA C 55.009 0.03 1 689 63 68 ASP CB C 41.171 0.05 1 690 63 68 ASP N N 120.382 0.07 1 691 64 69 GLN H H 9.072 0.01 1 692 64 69 GLN HA H 4.147 0.01 1 693 64 69 GLN HB2 H 2.258 0.01 2 694 64 69 GLN HB3 H 2.144 0.01 2 695 64 69 GLN HG2 H 2.552 0.01 2 696 64 69 GLN HG3 H 2.552 0.01 2 697 64 69 GLN HE21 H 6.891 0.01 2 698 64 69 GLN HE22 H 7.459 0.01 2 699 64 69 GLN C C 178.398 0.04 1 700 64 69 GLN CA C 58.409 0.05 1 701 64 69 GLN CB C 28.469 0.03 1 702 64 69 GLN CG C 34.141 0.01 1 703 64 69 GLN N N 125.501 0.04 1 704 64 69 GLN NE2 N 113.407 0.03 1 705 65 70 ASP H H 8.897 0.01 1 706 65 70 ASP HA H 4.460 0.01 1 707 65 70 ASP HB2 H 2.784 0.01 2 708 65 70 ASP HB3 H 2.703 0.01 2 709 65 70 ASP C C 177.244 0.03 1 710 65 70 ASP CA C 55.664 0.05 1 711 65 70 ASP CB C 39.214 0.05 1 712 65 70 ASP N N 118.934 0.05 1 713 66 71 MET H H 7.708 0.01 1 714 66 71 MET HA H 4.546 0.01 1 715 66 71 MET HB2 H 2.775 0.01 2 716 66 71 MET HB3 H 2.573 0.01 2 717 66 71 MET HG2 H 2.332 0.01 2 718 66 71 MET HG3 H 1.919 0.01 2 719 66 71 MET C C 177.097 0.04 1 720 66 71 MET CA C 56.282 0.09 1 721 66 71 MET CB C 32.992 0.06 1 722 66 71 MET CG C 33.158 0.03 1 723 66 71 MET N N 116.564 0.07 1 724 67 72 ASN H H 7.959 0.01 1 725 67 72 ASN HA H 4.333 0.01 1 726 67 72 ASN HB2 H 3.214 0.01 2 727 67 72 ASN HB3 H 2.719 0.01 2 728 67 72 ASN HD21 H 7.102 0.01 2 729 67 72 ASN HD22 H 7.126 0.01 2 730 67 72 ASN C C 172.710 0.03 1 731 67 72 ASN CA C 54.594 0.05 1 732 67 72 ASN CB C 38.390 0.04 1 733 67 72 ASN N N 115.421 0.05 1 734 67 72 ASN ND2 N 112.678 0.01 1 735 68 73 LEU H H 8.380 0.01 1 736 68 73 LEU HA H 4.358 0.01 1 737 68 73 LEU HB2 H 1.499 0.01 2 738 68 73 LEU HB3 H 0.780 0.01 2 739 68 73 LEU HG H 1.160 0.01 1 740 68 73 LEU HD1 H 0.291 0.01 2 741 68 73 LEU HD2 H -0.017 0.01 2 742 68 73 LEU C C 172.364 0.04 1 743 68 73 LEU CA C 54.176 0.02 1 744 68 73 LEU CB C 41.242 0.06 1 745 68 73 LEU CG C 26.376 0.03 1 746 68 73 LEU CD1 C 25.191 0.01 2 747 68 73 LEU CD2 C 21.588 0.01 2 748 68 73 LEU N N 122.379 0.07 1 749 69 74 HIS H H 7.960 0.01 1 750 69 74 HIS HA H 4.763 0.01 1 751 69 74 HIS HB2 H 3.263 0.01 2 752 69 74 HIS HB3 H 2.653 0.01 2 753 69 74 HIS HD2 H 7.077 0.01 1 754 69 74 HIS HE1 H 8.785 0.01 1 755 69 74 HIS C C 173.690 0.04 1 756 69 74 HIS CA C 52.879 0.04 1 757 69 74 HIS CB C 32.251 0.01 1 758 69 74 HIS CD2 C 120.080 0.03 1 759 69 74 HIS CE1 C 138.049 0.03 1 760 69 74 HIS N N 119.855 0.07 1 761 69 74 HIS ND1 N 183.026 0.03 1 762 69 74 HIS NE2 N 171.918 0.03 1 763 70 75 HIS H H 9.759 0.01 1 764 70 75 HIS HA H 4.605 0.01 1 765 70 75 HIS HB2 H 3.400 0.01 2 766 70 75 HIS HB3 H 3.170 0.01 2 767 70 75 HIS HD2 H 7.281 0.01 1 768 70 75 HIS HE1 H 8.646 0.01 1 769 70 75 HIS C C 176.313 0.04 1 770 70 75 HIS CA C 58.002 0.05 1 771 70 75 HIS CB C 28.372 0.04 1 772 70 75 HIS CD2 C 120.212 0.04 1 773 70 75 HIS CE1 C 137.834 0.04 1 774 70 75 HIS N N 121.592 0.05 1 775 70 75 HIS ND1 N 177.988 0.04 1 776 70 75 HIS NE2 N 172.696 0.04 1 777 71 76 GLY H H 9.091 0.01 1 778 71 76 GLY HA2 H 4.021 0.01 2 779 71 76 GLY HA3 H 3.739 0.02 2 780 71 76 GLY C C 174.914 0.04 1 781 71 76 GLY CA C 45.331 0.06 1 782 71 76 GLY N N 114.587 0.05 1 783 72 77 LYS H H 7.542 0.01 1 784 72 77 LYS HA H 5.078 0.01 1 785 72 77 LYS HB2 H 2.063 0.01 2 786 72 77 LYS HB3 H 1.756 0.01 2 787 72 77 LYS HG2 H 1.324 0.01 2 788 72 77 LYS HG3 H 1.211 0.01 2 789 72 77 LYS HD2 H 1.685 0.01 2 790 72 77 LYS HD3 H 1.494 0.01 2 791 72 77 LYS HE2 H 2.922 0.01 2 792 72 77 LYS HE3 H 2.922 0.01 2 793 72 77 LYS C C 177.500 0.03 1 794 72 77 LYS CA C 54.124 0.03 1 795 72 77 LYS CB C 32.034 0.02 1 796 72 77 LYS CG C 24.281 0.06 1 797 72 77 LYS CD C 29.196 0.01 1 798 72 77 LYS CE C 42.524 0.01 1 799 72 77 LYS N N 120.151 0.09 1 800 73 78 ALA H H 8.034 0.01 1 801 73 78 ALA HA H 3.879 0.01 1 802 73 78 ALA HB H 1.621 0.01 2 803 73 78 ALA C C 179.205 0.04 1 804 73 78 ALA CA C 56.365 0.06 1 805 73 78 ALA CB C 20.617 0.01 1 806 73 78 ALA N N 123.927 0.04 1 807 74 79 MET H H 8.657 0.01 1 808 74 79 MET HA H 4.080 0.01 1 809 74 79 MET HB2 H 2.099 0.01 2 810 74 79 MET HB3 H 1.979 0.01 2 811 74 79 MET HG2 H 2.663 0.01 2 812 74 79 MET HG3 H 2.410 0.01 2 813 74 79 MET C C 177.683 0.04 1 814 74 79 MET CA C 58.479 0.05 1 815 74 79 MET CB C 30.902 0.03 1 816 74 79 MET CG C 32.013 0.06 1 817 74 79 MET N N 116.001 0.06 1 818 75 80 GLU H H 9.019 0.01 1 819 75 80 GLU HA H 3.946 0.01 1 820 75 80 GLU HB2 H 2.159 0.01 2 821 75 80 GLU HB3 H 1.992 0.01 2 822 75 80 GLU HG2 H 2.466 0.01 2 823 75 80 GLU HG3 H 2.349 0.01 2 824 75 80 GLU C C 179.502 0.03 1 825 75 80 GLU CA C 60.346 0.03 1 826 75 80 GLU CB C 29.174 0.02 1 827 75 80 GLU CG C 36.969 0.07 1 828 75 80 GLU N N 120.153 0.05 1 829 76 81 PHE H H 7.882 0.01 1 830 76 81 PHE HA H 4.476 0.01 1 831 76 81 PHE HB2 H 3.785 0.01 2 832 76 81 PHE HB3 H 3.153 0.01 2 833 76 81 PHE HD1 H 7.202 0.01 3 834 76 81 PHE HD2 H 7.202 0.01 3 835 76 81 PHE HZ H 6.811 0.01 1 836 76 81 PHE C C 177.558 0.04 1 837 76 81 PHE CA C 60.796 0.05 1 838 76 81 PHE CB C 38.515 0.03 1 839 76 81 PHE CD1 C 132.597 0.04 3 840 76 81 PHE CD2 C 132.597 0.04 3 841 76 81 PHE CZ C 128.984 0.04 1 842 76 81 PHE N N 117.625 0.06 1 843 77 82 ALA H H 8.181 0.01 1 844 77 82 ALA HA H 3.382 0.01 1 845 77 82 ALA HB H 1.414 0.01 2 846 77 82 ALA C C 180.240 0.03 1 847 77 82 ALA CA C 55.789 0.03 1 848 77 82 ALA CB C 19.251 0.01 1 849 77 82 ALA N N 123.430 0.04 1 850 78 83 MET H H 8.306 0.01 1 851 78 83 MET HA H 4.767 0.01 1 852 78 83 MET HB2 H 2.198 0.01 2 853 78 83 MET HB3 H 2.006 0.01 2 854 78 83 MET HG2 H 2.633 0.01 2 855 78 83 MET HG3 H 2.385 0.01 2 856 78 83 MET C C 179.431 0.04 1 857 78 83 MET CA C 58.039 0.05 1 858 78 83 MET CB C 32.734 0.01 1 859 78 83 MET CG C 32.013 0.04 1 860 78 83 MET N N 116.273 0.04 1 861 79 84 LYS H H 7.658 0.01 1 862 79 84 LYS HA H 4.263 0.01 1 863 79 84 LYS HB2 H 1.864 0.01 2 864 79 84 LYS HB3 H 1.811 0.01 2 865 79 84 LYS HG2 H 1.452 0.01 2 866 79 84 LYS HG3 H 1.452 0.01 2 867 79 84 LYS HD2 H 1.617 0.01 2 868 79 84 LYS HD3 H 1.617 0.01 2 869 79 84 LYS HE2 H 2.951 0.01 2 870 79 84 LYS HE3 H 2.951 0.01 2 871 79 84 LYS C C 176.788 0.04 1 872 79 84 LYS CA C 56.872 0.04 1 873 79 84 LYS CB C 32.178 0.02 1 874 79 84 LYS CG C 25.419 0.01 1 875 79 84 LYS CD C 28.938 0.04 1 876 79 84 LYS N N 119.388 0.05 1 877 80 85 HIS H H 7.484 0.01 1 878 80 85 HIS HA H 4.523 0.01 1 879 80 85 HIS HB2 H 3.380 0.01 2 880 80 85 HIS HB3 H 2.212 0.01 2 881 80 85 HIS HD2 H 7.140 0.01 1 882 80 85 HIS HE1 H 8.727 0.01 1 883 80 85 HIS C C 174.218 0.04 1 884 80 85 HIS CA C 55.697 0.06 1 885 80 85 HIS CB C 28.107 0.01 1 886 80 85 HIS CD2 C 121.145 0.04 1 887 80 85 HIS CE1 C 136.018 0.04 1 888 80 85 HIS N N 116.484 0.05 1 889 80 85 HIS ND1 N 176.412 0.03 1 890 80 85 HIS NE2 N 173.746 0.03 1 891 81 86 GLY H H 7.668 0.01 1 892 81 86 GLY HA2 H 4.230 0.01 2 893 81 86 GLY HA3 H 3.652 0.01 2 894 81 86 GLY C C 174.146 0.04 1 895 81 86 GLY CA C 46.050 0.02 1 896 81 86 GLY N N 105.854 0.04 1 897 82 87 ALA H H 7.755 0.01 1 898 82 87 ALA HA H 4.520 0.01 1 899 82 87 ALA HB H 1.188 0.01 2 900 82 87 ALA C C 176.589 0.03 1 901 82 87 ALA CA C 51.241 0.05 1 902 82 87 ALA CB C 19.768 0.04 1 903 82 87 ALA N N 123.069 0.04 1 904 83 88 ASP H H 7.645 0.01 1 905 83 88 ASP HA H 4.662 0.01 1 906 83 88 ASP HB2 H 3.057 0.01 2 907 83 88 ASP HB3 H 2.725 0.01 2 908 83 88 ASP C C 175.516 0.03 1 909 83 88 ASP CA C 52.371 0.05 1 910 83 88 ASP CB C 40.737 0.04 1 911 83 88 ASP N N 120.358 0.04 1 912 84 89 GLU H H 8.638 0.01 1 913 84 89 GLU HA H 3.878 0.01 1 914 84 89 GLU HB2 H 2.075 0.02 2 915 84 89 GLU HB3 H 1.987 0.01 2 916 84 89 GLU HG2 H 2.356 0.01 2 917 84 89 GLU HG3 H 2.260 0.01 2 918 84 89 GLU C C 177.686 0.04 1 919 84 89 GLU CA C 60.369 0.04 1 920 84 89 GLU CB C 29.330 0.02 1 921 84 89 GLU CG C 35.308 0.02 1 922 84 89 GLU N N 120.538 0.04 1 923 85 90 ALA H H 8.045 0.01 1 924 85 90 ALA HA H 4.015 0.01 1 925 85 90 ALA HB H 1.378 0.01 2 926 85 90 ALA C C 181.237 0.04 1 927 85 90 ALA CA C 55.369 0.03 1 928 85 90 ALA CB C 17.989 0.01 1 929 85 90 ALA N N 120.263 0.09 1 930 86 91 MET H H 8.143 0.01 1 931 86 91 MET HA H 3.889 0.01 1 932 86 91 MET HB2 H 1.914 0.01 2 933 86 91 MET HB3 H 1.755 0.01 2 934 86 91 MET HG2 H 2.186 0.01 2 935 86 91 MET HG3 H 1.227 0.01 2 936 86 91 MET C C 177.471 0.04 1 937 86 91 MET CA C 58.722 0.04 1 938 86 91 MET CB C 34.250 0.06 1 939 86 91 MET CG C 31.471 0.01 1 940 86 91 MET N N 119.985 0.04 1 941 87 92 ALA H H 8.204 0.01 1 942 87 92 ALA HA H 4.526 0.01 1 943 87 92 ALA HB H 1.407 0.01 2 944 87 92 ALA C C 182.226 0.03 1 945 87 92 ALA CA C 53.904 0.05 1 946 87 92 ALA CB C 19.479 0.02 1 947 87 92 ALA N N 120.172 0.05 1 948 88 93 LYS H H 8.562 0.01 1 949 88 93 LYS HA H 4.063 0.01 1 950 88 93 LYS HB2 H 1.960 0.01 2 951 88 93 LYS HB3 H 1.911 0.01 2 952 88 93 LYS HG2 H 1.567 0.01 2 953 88 93 LYS HG3 H 1.507 0.01 2 954 88 93 LYS HD2 H 1.777 0.01 2 955 88 93 LYS HD3 H 1.656 0.01 2 956 88 93 LYS HE2 H 3.040 0.01 2 957 88 93 LYS HE3 H 3.040 0.01 2 958 88 93 LYS C C 177.977 0.03 1 959 88 93 LYS CA C 59.326 0.02 1 960 88 93 LYS CB C 32.838 0.02 1 961 88 93 LYS CG C 25.345 0.03 1 962 88 93 LYS CD C 29.297 0.03 1 963 88 93 LYS CE C 42.393 0.03 1 964 88 93 LYS N N 119.348 0.05 1 965 89 94 GLN H H 8.271 0.01 1 966 89 94 GLN HA H 4.239 0.01 1 967 89 94 GLN HB2 H 2.458 0.01 2 968 89 94 GLN HB3 H 2.390 0.01 2 969 89 94 GLN HG2 H 2.667 0.01 2 970 89 94 GLN HG3 H 2.375 0.01 2 971 89 94 GLN HE21 H 6.980 0.01 2 972 89 94 GLN HE22 H 7.331 0.01 2 973 89 94 GLN C C 179.052 0.04 1 974 89 94 GLN CA C 59.568 0.04 1 975 89 94 GLN CB C 28.555 0.03 1 976 89 94 GLN CG C 34.307 0.01 1 977 89 94 GLN N N 120.720 0.18 1 978 89 94 GLN NE2 N 111.257 0.03 1 979 90 95 LEU H H 7.853 0.01 1 980 90 95 LEU HA H 4.136 0.01 1 981 90 95 LEU HB2 H 2.102 0.01 2 982 90 95 LEU HB3 H 1.346 0.01 2 983 90 95 LEU HG H 2.137 0.01 1 984 90 95 LEU HD1 H 0.942 0.01 2 985 90 95 LEU HD2 H 0.708 0.01 2 986 90 95 LEU C C 179.061 0.03 1 987 90 95 LEU CA C 58.601 0.05 1 988 90 95 LEU CB C 41.241 0.05 1 989 90 95 LEU CG C 27.191 0.02 1 990 90 95 LEU CD1 C 26.302 0.02 2 991 90 95 LEU CD2 C 23.816 0.01 2 992 90 95 LEU N N 115.907 0.07 1 993 91 96 LEU H H 7.057 0.01 1 994 91 96 LEU HA H 3.859 0.01 1 995 91 96 LEU HB2 H 1.916 0.01 2 996 91 96 LEU HB3 H 1.252 0.01 2 997 91 96 LEU HG H 1.642 0.01 1 998 91 96 LEU HD1 H 0.885 0.01 2 999 91 96 LEU HD2 H 0.720 0.01 2 1000 91 96 LEU C C 178.667 0.03 1 1001 91 96 LEU CA C 57.741 0.02 1 1002 91 96 LEU CB C 41.785 0.03 1 1003 91 96 LEU CG C 26.658 0.18 1 1004 91 96 LEU CD1 C 25.159 0.12 2 1005 91 96 LEU CD2 C 22.712 0.05 2 1006 91 96 LEU N N 119.358 0.05 1 1007 92 97 ASP H H 8.841 0.01 1 1008 92 97 ASP HA H 4.422 0.01 1 1009 92 97 ASP HB2 H 2.996 0.01 2 1010 92 97 ASP HB3 H 2.776 0.01 2 1011 92 97 ASP C C 180.095 0.03 1 1012 92 97 ASP CA C 57.724 0.03 1 1013 92 97 ASP CB C 39.572 0.05 1 1014 92 97 ASP N N 121.508 0.05 1 1015 93 98 ILE H H 8.421 0.01 1 1016 93 98 ILE HA H 3.850 0.01 1 1017 93 98 ILE HB H 2.089 0.01 1 1018 93 98 ILE HG12 H 1.994 0.01 2 1019 93 98 ILE HG13 H 1.223 0.01 2 1020 93 98 ILE HG2 H 0.976 0.01 2 1021 93 98 ILE HD1 H 0.784 0.01 2 1022 93 98 ILE C C 178.618 0.03 1 1023 93 98 ILE CA C 65.472 0.05 1 1024 93 98 ILE CB C 38.011 0.04 1 1025 93 98 ILE CG1 C 29.422 0.04 2 1026 93 98 ILE CG2 C 18.861 0.04 2 1027 93 98 ILE CD1 C 15.132 0.02 1 1028 93 98 ILE N N 122.235 0.06 1 1029 94 99 LYS H H 8.012 0.01 1 1030 94 99 LYS HA H 3.756 0.01 1 1031 94 99 LYS HB2 H 1.999 0.01 2 1032 94 99 LYS HB3 H 1.772 0.01 2 1033 94 99 LYS HG2 H 1.713 0.01 2 1034 94 99 LYS HG3 H 0.999 0.01 2 1035 94 99 LYS HD2 H 1.823 0.01 2 1036 94 99 LYS HD3 H 1.369 0.01 2 1037 94 99 LYS HE2 H 3.016 0.01 2 1038 94 99 LYS HE3 H 2.607 0.01 2 1039 94 99 LYS C C 178.002 0.04 1 1040 94 99 LYS CA C 61.541 0.06 1 1041 94 99 LYS CB C 32.612 0.02 1 1042 94 99 LYS CG C 26.069 0.08 1 1043 94 99 LYS CD C 29.703 0.02 1 1044 94 99 LYS CE C 42.690 0.06 1 1045 94 99 LYS N N 121.454 0.06 1 1046 95 100 HIS H H 8.743 0.01 1 1047 95 100 HIS HA H 4.636 0.01 1 1048 95 100 HIS HB2 H 3.372 0.01 2 1049 95 100 HIS HB3 H 3.372 0.01 2 1050 95 100 HIS HD2 H 7.468 0.01 1 1051 95 100 HIS HE1 H 8.689 0.01 1 1052 95 100 HIS C C 177.759 0.03 1 1053 95 100 HIS CA C 57.371 0.04 1 1054 95 100 HIS CB C 28.250 0.03 1 1055 95 100 HIS CD2 C 119.161 0.03 1 1056 95 100 HIS CE1 C 135.860 0.03 1 1057 95 100 HIS N N 116.503 0.04 1 1058 95 100 HIS ND1 N 177.035 0.03 1 1059 95 100 HIS NE2 N 176.050 0.03 1 1060 96 101 SER H H 8.866 0.01 1 1061 96 101 SER HA H 4.342 0.01 1 1062 96 101 SER HB2 H 4.149 0.01 2 1063 96 101 SER HB3 H 4.046 0.01 2 1064 96 101 SER C C 178.239 0.04 1 1065 96 101 SER CA C 62.342 0.02 1 1066 96 101 SER CB C 62.574 0.01 1 1067 96 101 SER N N 118.222 0.04 1 1068 97 102 CYS H H 8.552 0.01 1 1069 97 102 CYS HA H 4.539 0.01 1 1070 97 102 CYS HB2 H 3.614 0.01 2 1071 97 102 CYS HB3 H 2.865 0.01 2 1072 97 102 CYS C C 176.720 0.04 1 1073 97 102 CYS CA C 59.847 0.06 1 1074 97 102 CYS CB C 40.658 0.03 1 1075 97 102 CYS N N 120.682 0.06 1 1076 98 103 GLU H H 8.152 0.01 1 1077 98 103 GLU HA H 3.799 0.01 1 1078 98 103 GLU HB2 H 2.373 0.01 2 1079 98 103 GLU HB3 H 2.183 0.01 2 1080 98 103 GLU HG2 H 2.763 0.01 2 1081 98 103 GLU HG3 H 2.373 0.01 2 1082 98 103 GLU C C 177.057 0.03 1 1083 98 103 GLU CA C 60.109 0.04 1 1084 98 103 GLU CB C 29.664 0.05 1 1085 98 103 GLU CG C 37.876 0.04 1 1086 98 103 GLU N N 118.596 0.06 1 1087 99 104 LYS H H 7.214 0.01 1 1088 99 104 LYS HA H 4.373 0.01 1 1089 99 104 LYS HB2 H 2.074 0.01 2 1090 99 104 LYS HB3 H 2.029 0.01 2 1091 99 104 LYS HG2 H 1.713 0.01 2 1092 99 104 LYS HG3 H 1.581 0.01 2 1093 99 104 LYS HD2 H 1.724 0.01 2 1094 99 104 LYS HD3 H 1.724 0.01 2 1095 99 104 LYS HE2 H 3.025 0.01 2 1096 99 104 LYS HE3 H 3.025 0.01 2 1097 99 104 LYS C C 177.559 0.04 1 1098 99 104 LYS CA C 57.258 0.03 1 1099 99 104 LYS CB C 33.458 0.02 1 1100 99 104 LYS CG C 25.100 0.07 1 1101 99 104 LYS CD C 28.809 0.04 1 1102 99 104 LYS CE C 42.324 0.04 1 1103 99 104 LYS N N 114.175 0.03 1 1104 100 105 VAL H H 7.483 0.01 1 1105 100 105 VAL HA H 4.615 0.01 1 1106 100 105 VAL HB H 2.333 0.01 1 1107 100 105 VAL HG1 H 0.965 0.01 2 1108 100 105 VAL HG2 H 1.071 0.01 2 1109 100 105 VAL C C 177.158 0.03 1 1110 100 105 VAL CA C 61.886 0.10 1 1111 100 105 VAL CB C 33.764 0.06 1 1112 100 105 VAL CG1 C 21.311 0.03 2 1113 100 105 VAL CG2 C 19.673 0.01 2 1114 100 105 VAL N N 111.534 0.03 1 1115 101 106 ILE H H 7.448 0.01 1 1116 101 106 ILE HA H 4.315 0.01 1 1117 101 106 ILE HB H 1.928 0.01 1 1118 101 106 ILE HG12 H 1.331 0.01 2 1119 101 106 ILE HG13 H 1.331 0.01 2 1120 101 106 ILE HG2 H 1.126 0.01 2 1121 101 106 ILE HD1 H 0.850 0.01 2 1122 101 106 ILE C C 175.821 0.04 1 1123 101 106 ILE CA C 61.653 0.06 1 1124 101 106 ILE CB C 40.814 0.07 1 1125 101 106 ILE CG1 C 24.361 0.02 2 1126 101 106 ILE CG2 C 18.829 0.01 2 1127 101 106 ILE CD1 C 15.417 0.04 1 1128 101 106 ILE N N 115.078 0.04 1 1129 102 107 THR H H 8.507 0.01 1 1130 102 107 THR HA H 4.136 0.01 1 1131 102 107 THR HB H 3.879 0.01 1 1132 102 107 THR HG2 H 1.077 0.01 2 1133 102 107 THR C C 173.395 0.04 1 1134 102 107 THR CA C 63.706 0.07 1 1135 102 107 THR CB C 69.378 0.06 1 1136 102 107 THR CG2 C 21.909 0.10 1 1137 102 107 THR N N 118.342 0.04 1 1138 103 108 ILE H H 8.508 0.01 1 1139 103 108 ILE HA H 4.016 0.01 1 1140 103 108 ILE HB H 1.851 0.01 1 1141 103 108 ILE HG12 H 1.590 0.01 2 1142 103 108 ILE HG13 H 1.241 0.01 2 1143 103 108 ILE HG2 H 0.781 0.01 2 1144 103 108 ILE HD1 H 0.857 0.01 2 1145 103 108 ILE C C 175.999 0.03 1 1146 103 108 ILE CA C 60.386 0.04 1 1147 103 108 ILE CB C 37.647 0.04 1 1148 103 108 ILE CG1 C 27.217 0.08 2 1149 103 108 ILE CG2 C 17.006 0.04 2 1150 103 108 ILE CD1 C 12.396 0.02 1 1151 103 108 ILE N N 129.135 0.04 1 1152 104 109 VAL H H 8.023 0.01 1 1153 104 109 VAL HA H 4.065 0.01 1 1154 104 109 VAL HB H 2.140 0.01 1 1155 104 109 VAL HG1 H 0.978 0.01 2 1156 104 109 VAL HG2 H 0.760 0.01 2 1157 104 109 VAL C C 176.864 0.04 1 1158 104 109 VAL CA C 61.651 0.05 1 1159 104 109 VAL CB C 30.352 0.06 1 1160 104 109 VAL CG1 C 22.811 0.02 2 1161 104 109 VAL CG2 C 20.533 0.03 2 1162 104 109 VAL N N 130.493 0.05 1 1163 105 110 ALA H H 8.824 0.01 1 1164 105 110 ALA HA H 3.864 0.01 1 1165 105 110 ALA HB H 1.388 0.01 2 1166 105 110 ALA C C 178.193 0.04 1 1167 105 110 ALA CA C 55.627 0.04 1 1168 105 110 ALA CB C 18.400 0.01 1 1169 105 110 ALA N N 131.922 0.04 1 1170 106 111 ASP H H 8.237 0.01 1 1171 106 111 ASP HA H 4.645 0.01 1 1172 106 111 ASP HB2 H 2.859 0.01 2 1173 106 111 ASP HB3 H 2.718 0.01 2 1174 106 111 ASP C C 175.535 0.03 1 1175 106 111 ASP CA C 53.085 0.10 1 1176 106 111 ASP CB C 39.895 0.02 1 1177 106 111 ASP N N 112.184 0.04 1 1178 107 112 ASP H H 7.588 0.01 1 1179 107 112 ASP HA H 5.119 0.01 1 1180 107 112 ASP HB2 H 2.878 0.01 2 1181 107 112 ASP HB3 H 2.427 0.01 2 1182 107 112 ASP C C 173.419 0.01 1 1183 107 112 ASP CA C 51.412 0.02 1 1184 107 112 ASP CB C 41.270 0.01 1 1185 107 112 ASP N N 114.205 0.04 1 1186 108 113 PRO HA H 4.469 0.01 1 1187 108 113 PRO HB2 H 2.403 0.01 2 1188 108 113 PRO HB3 H 1.842 0.01 2 1189 108 113 PRO HG2 H 2.041 0.01 2 1190 108 113 PRO HG3 H 2.017 0.01 2 1191 108 113 PRO HD2 H 3.931 0.01 2 1192 108 113 PRO HD3 H 3.569 0.01 2 1193 108 113 PRO C C 179.801 0.04 1 1194 108 113 PRO CA C 64.346 0.03 1 1195 108 113 PRO CB C 32.473 0.03 1 1196 108 113 PRO CG C 27.190 0.04 1 1197 108 113 PRO CD C 50.635 0.02 1 1198 109 114 CYS H H 7.745 0.01 1 1199 109 114 CYS HA H 4.003 0.02 1 1200 109 114 CYS HB2 H 3.717 0.01 2 1201 109 114 CYS HB3 H 3.104 0.01 2 1202 109 114 CYS C C 176.088 0.03 1 1203 109 114 CYS CA C 61.168 0.05 1 1204 109 114 CYS CB C 44.504 0.05 1 1205 109 114 CYS N N 115.197 0.04 1 1206 110 115 GLN H H 7.782 0.01 1 1207 110 115 GLN HA H 3.789 0.01 1 1208 110 115 GLN HB2 H 2.246 0.01 2 1209 110 115 GLN HB3 H 1.811 0.01 2 1210 110 115 GLN HG2 H 2.500 0.01 2 1211 110 115 GLN HG3 H 2.229 0.01 2 1212 110 115 GLN HE21 H 6.955 0.01 2 1213 110 115 GLN HE22 H 7.530 0.01 2 1214 110 115 GLN C C 177.787 0.04 1 1215 110 115 GLN CA C 58.107 0.05 1 1216 110 115 GLN CB C 28.986 0.03 1 1217 110 115 GLN CG C 34.308 0.01 1 1218 110 115 GLN N N 121.491 0.12 1 1219 110 115 GLN NE2 N 114.306 0.03 1 1220 111 116 THR H H 7.868 0.01 1 1221 111 116 THR HA H 3.855 0.01 1 1222 111 116 THR HB H 4.184 0.01 1 1223 111 116 THR HG2 H 1.337 0.01 2 1224 111 116 THR C C 175.145 0.10 1 1225 111 116 THR CA C 67.896 0.19 1 1226 111 116 THR CB C 68.731 0.09 1 1227 111 116 THR CG2 C 23.169 0.05 1 1228 111 116 THR N N 115.912 0.06 1 1229 112 117 MET H H 7.839 0.01 1 1230 112 117 MET HA H 4.550 0.01 1 1231 112 117 MET HB2 H 2.115 0.02 2 1232 112 117 MET HB3 H 1.969 0.01 2 1233 112 117 MET HG2 H 2.875 0.01 2 1234 112 117 MET HG3 H 2.875 0.01 2 1235 112 117 MET C C 177.850 0.03 1 1236 112 117 MET CA C 56.917 0.05 1 1237 112 117 MET CB C 32.500 0.03 1 1238 112 117 MET CG C 33.508 0.02 1 1239 112 117 MET N N 118.923 0.14 1 1240 113 118 LEU H H 8.053 0.01 1 1241 113 118 LEU HA H 3.793 0.01 1 1242 113 118 LEU HB2 H 1.999 0.01 2 1243 113 118 LEU HB3 H 1.227 0.01 2 1244 113 118 LEU HG H 1.605 0.01 1 1245 113 118 LEU HD1 H 0.704 0.01 2 1246 113 118 LEU HD2 H 0.667 0.01 2 1247 113 118 LEU C C 177.996 0.02 1 1248 113 118 LEU CA C 58.214 0.03 1 1249 113 118 LEU CB C 41.761 0.07 1 1250 113 118 LEU CG C 26.774 0.13 1 1251 113 118 LEU CD1 C 25.536 0.14 2 1252 113 118 LEU CD2 C 24.039 0.03 2 1253 113 118 LEU N N 122.012 0.06 1 1254 114 119 ASN H H 8.584 0.01 1 1255 114 119 ASN HA H 4.430 0.01 1 1256 114 119 ASN HB2 H 3.379 0.01 2 1257 114 119 ASN HB3 H 2.916 0.01 2 1258 114 119 ASN HD21 H 7.207 0.01 2 1259 114 119 ASN HD22 H 7.964 0.01 2 1260 114 119 ASN C C 179.311 0.04 1 1261 114 119 ASN CA C 56.013 0.02 1 1262 114 119 ASN CB C 37.189 0.04 1 1263 114 119 ASN N N 119.148 0.15 1 1264 114 119 ASN ND2 N 109.103 0.03 1 1265 115 120 LEU H H 8.552 0.01 1 1266 115 120 LEU HA H 4.151 0.01 1 1267 115 120 LEU HB2 H 2.349 0.01 2 1268 115 120 LEU HB3 H 1.632 0.01 2 1269 115 120 LEU HG H 1.522 0.01 1 1270 115 120 LEU HD1 H 1.002 0.01 2 1271 115 120 LEU HD2 H 1.072 0.01 2 1272 115 120 LEU C C 178.039 0.04 1 1273 115 120 LEU CA C 59.151 0.03 1 1274 115 120 LEU CB C 41.152 0.03 1 1275 115 120 LEU CG C 28.103 0.02 1 1276 115 120 LEU CD1 C 25.935 0.07 2 1277 115 120 LEU CD2 C 24.923 0.03 2 1278 115 120 LEU N N 124.044 0.04 1 1279 116 121 ALA H H 9.106 0.01 1 1280 116 121 ALA HA H 4.077 0.01 1 1281 116 121 ALA HB H 1.256 0.01 2 1282 116 121 ALA C C 179.309 0.04 1 1283 116 121 ALA CA C 55.945 0.07 1 1284 116 121 ALA CB C 18.013 0.03 1 1285 116 121 ALA N N 122.862 0.05 1 1286 117 122 MET H H 8.995 0.01 1 1287 117 122 MET HA H 4.212 0.01 1 1288 117 122 MET HB2 H 2.946 0.01 2 1289 117 122 MET HB3 H 2.684 0.01 2 1290 117 122 MET HG2 H 2.374 0.01 2 1291 117 122 MET HG3 H 2.184 0.01 2 1292 117 122 MET C C 178.772 0.03 1 1293 117 122 MET CA C 59.730 0.04 1 1294 117 122 MET CB C 33.003 0.06 1 1295 117 122 MET CG C 32.998 0.03 1 1296 117 122 MET N N 117.316 0.05 1 1297 118 123 CYS H H 7.763 0.01 1 1298 118 123 CYS HA H 4.414 0.01 1 1299 118 123 CYS HB2 H 3.323 0.01 2 1300 118 123 CYS HB3 H 3.250 0.01 2 1301 118 123 CYS C C 175.008 0.04 1 1302 118 123 CYS CA C 60.175 0.06 1 1303 118 123 CYS CB C 38.651 0.01 1 1304 118 123 CYS N N 121.433 0.05 1 1305 119 124 PHE H H 9.005 0.01 1 1306 119 124 PHE HA H 4.055 0.01 1 1307 119 124 PHE HB2 H 3.423 0.01 2 1308 119 124 PHE HB3 H 3.054 0.01 2 1309 119 124 PHE HD1 H 7.148 0.01 3 1310 119 124 PHE HD2 H 7.148 0.01 3 1311 119 124 PHE HE1 H 7.361 0.01 3 1312 119 124 PHE HE2 H 7.361 0.01 3 1313 119 124 PHE HZ H 7.237 0.01 1 1314 119 124 PHE C C 176.283 0.04 1 1315 119 124 PHE CA C 61.650 0.08 1 1316 119 124 PHE CB C 40.884 0.04 1 1317 119 124 PHE CD1 C 131.372 0.03 3 1318 119 124 PHE CD2 C 131.372 0.03 3 1319 119 124 PHE CE1 C 131.989 0.03 3 1320 119 124 PHE CE2 C 131.989 0.03 3 1321 119 124 PHE CZ C 130.098 0.03 1 1322 119 124 PHE N N 122.588 0.06 1 1323 120 125 LYS H H 8.960 0.01 1 1324 120 125 LYS HA H 3.883 0.01 1 1325 120 125 LYS HB2 H 2.032 0.01 2 1326 120 125 LYS HB3 H 1.945 0.01 2 1327 120 125 LYS HG2 H 1.505 0.01 2 1328 120 125 LYS HG3 H 1.277 0.01 2 1329 120 125 LYS HD2 H 1.234 0.01 2 1330 120 125 LYS HD3 H 1.091 0.01 2 1331 120 125 LYS HE2 H 2.577 0.01 2 1332 120 125 LYS HE3 H 2.527 0.01 2 1333 120 125 LYS C C 178.120 0.03 1 1334 120 125 LYS CA C 60.392 0.05 1 1335 120 125 LYS CB C 33.252 0.02 1 1336 120 125 LYS CG C 25.274 0.06 1 1337 120 125 LYS CD C 29.837 0.07 1 1338 120 125 LYS CE C 41.964 0.01 1 1339 120 125 LYS N N 117.745 0.04 1 1340 121 126 ALA H H 7.860 0.01 1 1341 121 126 ALA HA H 4.113 0.01 1 1342 121 126 ALA HB H 1.564 0.01 2 1343 121 126 ALA C C 181.434 0.04 1 1344 121 126 ALA CA C 55.267 0.02 1 1345 121 126 ALA CB C 18.325 0.04 1 1346 121 126 ALA N N 120.614 0.05 1 1347 122 127 GLU H H 8.480 0.01 1 1348 122 127 GLU HA H 4.042 0.01 1 1349 122 127 GLU HB2 H 2.053 0.01 2 1350 122 127 GLU HB3 H 1.966 0.01 2 1351 122 127 GLU HG2 H 2.631 0.01 2 1352 122 127 GLU HG3 H 2.456 0.01 2 1353 122 127 GLU C C 181.133 0.03 1 1354 122 127 GLU CA C 58.794 0.06 1 1355 122 127 GLU CB C 30.132 0.18 1 1356 122 127 GLU CG C 35.410 0.04 1 1357 122 127 GLU N N 116.884 0.05 1 1358 123 128 ILE H H 8.346 0.01 1 1359 123 128 ILE HA H 3.700 0.01 1 1360 123 128 ILE HB H 1.633 0.01 1 1361 123 128 ILE HG12 H 1.127 0.01 2 1362 123 128 ILE HG13 H 1.107 0.01 2 1363 123 128 ILE HG2 H 0.360 0.01 2 1364 123 128 ILE HD1 H 0.273 0.01 2 1365 123 128 ILE C C 178.047 0.04 1 1366 123 128 ILE CA C 64.917 0.02 1 1367 123 128 ILE CB C 37.377 0.03 1 1368 123 128 ILE CG1 C 26.989 0.03 2 1369 123 128 ILE CG2 C 17.136 0.05 2 1370 123 128 ILE CD1 C 13.424 0.10 1 1371 123 128 ILE N N 117.182 0.05 1 1372 124 129 HIS H H 7.331 0.01 1 1373 124 129 HIS HA H 4.393 0.01 1 1374 124 129 HIS HB2 H 3.431 0.01 2 1375 124 129 HIS HB3 H 3.258 0.01 2 1376 124 129 HIS HD2 H 7.402 0.01 1 1377 124 129 HIS HE1 H 8.583 0.01 1 1378 124 129 HIS C C 174.716 0.04 1 1379 124 129 HIS CA C 57.787 0.03 1 1380 124 129 HIS CB C 28.421 0.02 1 1381 124 129 HIS CD2 C 120.243 0.03 1 1382 124 129 HIS CE1 C 136.322 0.03 1 1383 124 129 HIS N N 117.050 0.05 1 1384 124 129 HIS ND1 N 176.767 0.03 1 1385 124 129 HIS NE2 N 175.808 0.03 1 1386 125 130 LYS H H 7.208 0.01 1 1387 125 130 LYS HA H 4.278 0.01 1 1388 125 130 LYS HB2 H 2.039 0.01 2 1389 125 130 LYS HB3 H 1.796 0.01 2 1390 125 130 LYS HG2 H 1.601 0.01 2 1391 125 130 LYS HG3 H 1.418 0.01 2 1392 125 130 LYS HD2 H 1.646 0.01 2 1393 125 130 LYS HD3 H 1.484 0.02 2 1394 125 130 LYS HE2 H 2.861 0.01 2 1395 125 130 LYS HE3 H 2.861 0.01 2 1396 125 130 LYS C C 176.672 0.03 1 1397 125 130 LYS CA C 56.854 0.14 1 1398 125 130 LYS CB C 33.157 0.04 1 1399 125 130 LYS CG C 25.184 0.15 1 1400 125 130 LYS CD C 29.788 0.12 1 1401 125 130 LYS CE C 42.349 0.03 1 1402 125 130 LYS N N 116.638 0.05 1 1403 126 131 LEU H H 6.936 0.01 1 1404 126 131 LEU HA H 4.268 0.01 1 1405 126 131 LEU HB2 H 1.606 0.01 2 1406 126 131 LEU HB3 H 0.921 0.01 2 1407 126 131 LEU HG H 1.636 0.01 1 1408 126 131 LEU HD1 H 0.334 0.01 2 1409 126 131 LEU HD2 H 0.775 0.01 2 1410 126 131 LEU C C 177.117 0.04 1 1411 126 131 LEU CA C 54.631 0.05 1 1412 126 131 LEU CB C 42.983 0.04 1 1413 126 131 LEU CG C 26.199 0.09 1 1414 126 131 LEU CD1 C 25.043 0.03 2 1415 126 131 LEU CD2 C 22.317 0.02 2 1416 126 131 LEU N N 118.671 0.04 1 1417 127 132 ASP H H 8.662 0.01 1 1418 127 132 ASP HA H 4.512 0.01 1 1419 127 132 ASP HB2 H 2.832 0.01 2 1420 127 132 ASP HB3 H 2.772 0.01 2 1421 127 132 ASP C C 175.008 0.04 1 1422 127 132 ASP CA C 54.733 0.09 1 1423 127 132 ASP CB C 39.765 0.02 1 1424 127 132 ASP N N 119.786 0.05 1 1425 128 133 TRP H H 7.289 0.01 1 1426 128 133 TRP HA H 4.732 0.01 1 1427 128 133 TRP HB2 H 3.350 0.01 2 1428 128 133 TRP HB3 H 3.149 0.01 2 1429 128 133 TRP HD1 H 7.381 0.01 1 1430 128 133 TRP HE1 H 10.334 0.01 1 1431 128 133 TRP HE3 H 7.413 0.01 1 1432 128 133 TRP HZ2 H 7.434 0.01 1 1433 128 133 TRP HZ3 H 7.013 0.01 1 1434 128 133 TRP HH2 H 6.992 0.01 1 1435 128 133 TRP C C 173.612 0.04 1 1436 128 133 TRP CA C 54.586 0.04 1 1437 128 133 TRP CB C 29.518 0.04 1 1438 128 133 TRP CD1 C 127.755 0.03 1 1439 128 133 TRP CE3 C 121.145 0.03 1 1440 128 133 TRP CZ2 C 114.769 0.03 1 1441 128 133 TRP CZ3 C 121.570 0.03 1 1442 128 133 TRP CH2 C 123.757 0.03 1 1443 128 133 TRP N N 117.301 0.04 1 1444 128 133 TRP NE1 N 130.672 0.03 1 1445 129 134 ALA H H 8.176 0.01 1 1446 129 134 ALA HA H 4.579 0.01 1 1447 129 134 ALA HB H 1.215 0.01 2 1448 129 134 ALA C C 174.469 0.04 1 1449 129 134 ALA CA C 49.450 0.03 1 1450 129 134 ALA CB C 19.276 0.04 1 1451 129 134 ALA N N 122.193 0.05 1 1452 130 135 PRO HA H 4.705 0.01 1 1453 130 135 PRO HB2 H 2.103 0.01 2 1454 130 135 PRO HB3 H 1.781 0.01 2 1455 130 135 PRO HG2 H 1.547 0.01 2 1456 130 135 PRO HG3 H 1.173 0.01 2 1457 130 135 PRO HD2 H 3.345 0.01 2 1458 130 135 PRO HD3 H 2.862 0.01 2 1459 130 135 PRO C C 176.816 0.03 1 1460 130 135 PRO CA C 61.970 0.06 1 1461 130 135 PRO CB C 31.579 0.03 1 1462 130 135 PRO CG C 26.591 0.05 1 1463 130 135 PRO CD C 50.002 0.03 1 1464 131 136 THR H H 8.315 0.01 1 1465 131 136 THR HA H 4.372 0.01 1 1466 131 136 THR HB H 4.750 0.01 1 1467 131 136 THR HG2 H 1.483 0.01 2 1468 131 136 THR C C 176.145 0.04 1 1469 131 136 THR CA C 61.536 0.04 1 1470 131 136 THR CB C 69.722 0.07 1 1471 131 136 THR CG2 C 22.727 0.09 1 1472 131 136 THR N N 112.321 0.07 1 1473 132 137 LEU H H 8.675 0.01 1 1474 132 137 LEU HA H 3.942 0.01 1 1475 132 137 LEU HB2 H 1.707 0.01 2 1476 132 137 LEU HB3 H 1.350 0.01 2 1477 132 137 LEU HG H 1.576 0.01 1 1478 132 137 LEU HD1 H 0.844 0.01 2 1479 132 137 LEU HD2 H 0.815 0.01 2 1480 132 137 LEU C C 178.449 0.04 1 1481 132 137 LEU CA C 58.155 0.07 1 1482 132 137 LEU CB C 41.948 0.05 1 1483 132 137 LEU CG C 27.146 0.09 1 1484 132 137 LEU CD1 C 24.785 0.06 2 1485 132 137 LEU CD2 C 24.132 0.04 2 1486 132 137 LEU N N 123.050 0.05 1 1487 133 138 ASP H H 8.568 0.01 1 1488 133 138 ASP HA H 4.267 0.01 1 1489 133 138 ASP HB2 H 2.602 0.01 2 1490 133 138 ASP HB3 H 2.472 0.01 2 1491 133 138 ASP C C 178.452 0.02 1 1492 133 138 ASP CA C 57.753 0.06 1 1493 133 138 ASP CB C 40.394 0.07 1 1494 133 138 ASP N N 115.551 0.10 1 1495 134 139 VAL H H 7.176 0.01 1 1496 134 139 VAL HA H 3.815 0.01 1 1497 134 139 VAL HB H 2.176 0.01 1 1498 134 139 VAL HG1 H 0.916 0.01 2 1499 134 139 VAL HG2 H 0.969 0.01 2 1500 134 139 VAL CA C 66.654 0.02 1 1501 134 139 VAL CB C 31.827 0.04 1 1502 134 139 VAL CG1 C 24.627 0.04 2 1503 134 139 VAL CG2 C 21.850 0.01 2 1504 134 139 VAL N N 118.124 0.09 1 1505 135 140 ALA HA H 4.077 0.01 1 1506 135 140 ALA HB H 1.259 0.01 2 1507 135 140 ALA C C 178.346 0.04 1 1508 135 140 ALA CA C 56.123 0.05 1 1509 135 140 ALA CB C 18.511 0.03 1 1510 136 141 VAL H H 8.669 0.01 1 1511 136 141 VAL HA H 3.180 0.01 1 1512 136 141 VAL HB H 1.800 0.01 1 1513 136 141 VAL HG1 H -0.182 0.01 2 1514 136 141 VAL HG2 H 0.596 0.01 2 1515 136 141 VAL C C 178.283 0.05 1 1516 136 141 VAL CA C 66.291 0.04 1 1517 136 141 VAL CB C 30.970 0.04 1 1518 136 141 VAL CG1 C 21.725 0.04 2 1519 136 141 VAL CG2 C 21.111 0.01 2 1520 136 141 VAL N N 115.340 0.27 1 1521 137 142 GLY H H 7.982 0.01 1 1522 137 142 GLY HA2 H 3.614 0.01 2 1523 137 142 GLY HA3 H 3.277 0.01 2 1524 137 142 GLY C C 175.116 0.04 1 1525 137 142 GLY CA C 47.970 0.02 1 1526 137 142 GLY N N 106.529 0.05 1 1527 138 143 GLU H H 8.347 0.01 1 1528 138 143 GLU HA H 3.887 0.01 1 1529 138 143 GLU HB2 H 2.264 0.01 2 1530 138 143 GLU HB3 H 2.077 0.01 2 1531 138 143 GLU HG2 H 3.101 0.01 2 1532 138 143 GLU HG3 H 2.448 0.01 2 1533 138 143 GLU C C 177.117 0.03 1 1534 138 143 GLU CA C 62.174 0.05 1 1535 138 143 GLU CB C 28.634 0.07 1 1536 138 143 GLU CG C 35.944 0.04 1 1537 138 143 GLU N N 117.927 0.05 1 1538 139 144 LEU H H 7.376 0.01 1 1539 139 144 LEU HA H 3.391 0.01 1 1540 139 144 LEU HB2 H 1.892 0.01 2 1541 139 144 LEU HB3 H 1.004 0.01 2 1542 139 144 LEU HG H 1.173 0.01 1 1543 139 144 LEU HD1 H 0.823 0.01 2 1544 139 144 LEU HD2 H 0.214 0.01 2 1545 139 144 LEU C C 178.789 0.03 1 1546 139 144 LEU CA C 59.107 0.02 1 1547 139 144 LEU CB C 41.091 0.03 1 1548 139 144 LEU CG C 26.658 0.01 1 1549 139 144 LEU CD1 C 25.762 0.01 2 1550 139 144 LEU CD2 C 22.764 0.03 2 1551 139 144 LEU N N 116.955 0.04 1 1552 140 145 LEU H H 8.363 0.01 1 1553 140 145 LEU HA H 3.848 0.01 1 1554 140 145 LEU HB2 H 1.863 0.01 2 1555 140 145 LEU HB3 H 1.207 0.01 2 1556 140 145 LEU HG H 1.990 0.01 1 1557 140 145 LEU HD1 H 0.704 0.01 2 1558 140 145 LEU HD2 H 0.767 0.01 2 1559 140 145 LEU C C 179.452 0.04 1 1560 140 145 LEU CA C 57.712 0.04 1 1561 140 145 LEU CB C 42.783 0.06 1 1562 140 145 LEU CG C 26.731 0.06 1 1563 140 145 LEU CD1 C 26.991 0.02 2 1564 140 145 LEU CD2 C 23.780 0.04 2 1565 140 145 LEU N N 116.229 0.06 1 1566 141 146 ALA H H 8.491 0.01 1 1567 141 146 ALA HA H 3.953 0.01 1 1568 141 146 ALA HB H 1.259 0.01 2 1569 141 146 ALA C C 177.430 0.03 1 1570 141 146 ALA CA C 54.345 0.05 1 1571 141 146 ALA CB C 17.785 0.01 1 1572 141 146 ALA N N 119.797 0.04 1 1573 142 147 ASP H H 7.488 0.01 1 1574 142 147 ASP HA H 4.923 0.01 1 1575 142 147 ASP HB2 H 2.385 0.01 2 1576 142 147 ASP HB3 H 2.251 0.01 2 1577 142 147 ASP C C 174.815 0.03 1 1578 142 147 ASP CA C 53.807 0.06 1 1579 142 147 ASP CB C 44.304 0.02 1 1580 142 147 ASP N N 116.276 0.05 1 1581 143 148 THR H H 7.200 0.01 1 1582 143 148 THR HA H 4.124 0.01 1 1583 143 148 THR HB H 4.116 0.01 1 1584 143 148 THR HG2 H 1.128 0.01 2 1585 143 148 THR C C 178.982 0.04 1 1586 143 148 THR CA C 65.995 0.02 1 1587 143 148 THR CB C 70.420 0.02 1 1588 143 148 THR CG2 C 21.830 0.03 1 1589 143 148 THR N N 122.379 0.04 1 stop_ save_