data_27687 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR resonance assignments of the peach allergen Pru p 1 ; _BMRB_accession_number 27687 _BMRB_flat_file_name bmr27687.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 Fuehrer Sebastian . . 2 Trimmel Simone . . 3 Breuker Kathrin . . 4 Tollinger Martin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 803 "13C chemical shifts" 615 "15N chemical shifts" 150 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-04-03 update BMRB 'update entry citation' 2019-01-08 original author 'original release' stop_ _Original_release_date 2018-11-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR resonance assignments of the pathogenesis-related peach allergen Pru p 1.0101 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30542820 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fuehrer Sebastian . . 2 Trimmel Simone . . 3 Breuker Kathrin . . 4 Tollinger Martin . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 13 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 127 _Page_last 130 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Pru p 1.0101' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Pru p 1.0101' $Pru_p_1.0101 stop_ _System_molecular_weight 17516.7 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Pru_p_1.0101 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Pru_p_1.0101 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 159 _Mol_residue_sequence ; GVFTYESEFTSEIPPPRLFK AFVLDADNLVPKIAPQAIKH SEILEGDGGPGTIKKITFGE GSQYGYVKHKIDSIDKENHS YSYTLIEGDALGDNLEKISY ETKLVASPSGGSIIKSTSHY HTKGDVEIKEEHVKAGKEKA SNLFKLIETYLKGHPDAYN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 VAL 3 3 PHE 4 4 THR 5 5 TYR 6 6 GLU 7 7 SER 8 8 GLU 9 9 PHE 10 10 THR 11 11 SER 12 12 GLU 13 13 ILE 14 14 PRO 15 15 PRO 16 16 PRO 17 17 ARG 18 18 LEU 19 19 PHE 20 20 LYS 21 21 ALA 22 22 PHE 23 23 VAL 24 24 LEU 25 25 ASP 26 26 ALA 27 27 ASP 28 28 ASN 29 29 LEU 30 30 VAL 31 31 PRO 32 32 LYS 33 33 ILE 34 34 ALA 35 35 PRO 36 36 GLN 37 37 ALA 38 38 ILE 39 39 LYS 40 40 HIS 41 41 SER 42 42 GLU 43 43 ILE 44 44 LEU 45 45 GLU 46 46 GLY 47 47 ASP 48 48 GLY 49 49 GLY 50 50 PRO 51 51 GLY 52 52 THR 53 53 ILE 54 54 LYS 55 55 LYS 56 56 ILE 57 57 THR 58 58 PHE 59 59 GLY 60 60 GLU 61 61 GLY 62 62 SER 63 63 GLN 64 64 TYR 65 65 GLY 66 66 TYR 67 67 VAL 68 68 LYS 69 69 HIS 70 70 LYS 71 71 ILE 72 72 ASP 73 73 SER 74 74 ILE 75 75 ASP 76 76 LYS 77 77 GLU 78 78 ASN 79 79 HIS 80 80 SER 81 81 TYR 82 82 SER 83 83 TYR 84 84 THR 85 85 LEU 86 86 ILE 87 87 GLU 88 88 GLY 89 89 ASP 90 90 ALA 91 91 LEU 92 92 GLY 93 93 ASP 94 94 ASN 95 95 LEU 96 96 GLU 97 97 LYS 98 98 ILE 99 99 SER 100 100 TYR 101 101 GLU 102 102 THR 103 103 LYS 104 104 LEU 105 105 VAL 106 106 ALA 107 107 SER 108 108 PRO 109 109 SER 110 110 GLY 111 111 GLY 112 112 SER 113 113 ILE 114 114 ILE 115 115 LYS 116 116 SER 117 117 THR 118 118 SER 119 119 HIS 120 120 TYR 121 121 HIS 122 122 THR 123 123 LYS 124 124 GLY 125 125 ASP 126 126 VAL 127 127 GLU 128 128 ILE 129 129 LYS 130 130 GLU 131 131 GLU 132 132 HIS 133 133 VAL 134 134 LYS 135 135 ALA 136 136 GLY 137 137 LYS 138 138 GLU 139 139 LYS 140 140 ALA 141 141 SER 142 142 ASN 143 143 LEU 144 144 PHE 145 145 LYS 146 146 LEU 147 147 ILE 148 148 GLU 149 149 THR 150 150 TYR 151 151 LEU 152 152 LYS 153 153 GLY 154 154 HIS 155 155 PRO 156 156 ASP 157 157 ALA 158 158 TYR 159 159 ASN 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 $Pru_p_1.0101 peach 3760 Eukaryota Viridiplantae Prunus persica 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 $Pru_p_1.0101 'recombinant technology' . Escherichia coli 'Escherichia coli BL21 Star (DE3)' pET28b 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 $Pru_p_1.0101 0.6 mM '[U-99% 13C; U-99% 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 $Pru_p_1.0101 0.5 mM '[U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model DD2 _Field_strength 500 _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_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _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_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_2 save_ save_3D_(H)CC(CO)NH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CC(CO)NH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.9 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.00000000000000 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 $NMRPipe stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HN(CA)CO' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N TOCSY' '3D (H)CC(CO)NH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Pru p 1.0101' _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 GLY HA2 H 3.768 0.05 1 2 1 1 GLY HA3 H 3.768 0.05 1 3 1 1 GLY C C 168.976 0.10 1 4 1 1 GLY CA C 43.371 0.15 1 5 2 2 VAL H H 8.091 0.01 1 6 2 2 VAL HA H 4.847 0.05 1 7 2 2 VAL HB H 1.605 0.05 1 8 2 2 VAL HG1 H 0.431 0.05 1 9 2 2 VAL HG2 H 0.431 0.05 1 10 2 2 VAL C C 174.750 0.10 1 11 2 2 VAL CA C 61.222 0.15 1 12 2 2 VAL CB C 33.599 0.15 1 13 2 2 VAL CG1 C 20.770 0.20 1 14 2 2 VAL CG2 C 20.770 0.20 1 15 2 2 VAL N N 120.328 0.05 1 16 3 3 PHE H H 8.888 0.01 1 17 3 3 PHE HA H 4.718 0.05 1 18 3 3 PHE HB2 H 3.157 0.05 2 19 3 3 PHE HB3 H 2.914 0.05 2 20 3 3 PHE C C 174.436 0.10 1 21 3 3 PHE CA C 56.863 0.15 1 22 3 3 PHE CB C 42.261 0.15 1 23 3 3 PHE N N 127.943 0.05 1 24 4 4 THR H H 8.538 0.01 1 25 4 4 THR HA H 5.348 0.05 1 26 4 4 THR HB H 3.687 0.05 1 27 4 4 THR HG2 H 0.999 0.05 1 28 4 4 THR C C 173.394 0.10 1 29 4 4 THR CA C 62.553 0.15 1 30 4 4 THR CB C 70.757 0.15 1 31 4 4 THR CG2 C 22.278 0.20 1 32 4 4 THR N N 123.348 0.05 1 33 5 5 TYR H H 9.056 0.01 1 34 5 5 TYR HA H 4.796 0.05 1 35 5 5 TYR HB2 H 3.140 0.05 2 36 5 5 TYR HB3 H 2.720 0.05 2 37 5 5 TYR C C 174.657 0.10 1 38 5 5 TYR CA C 57.185 0.15 1 39 5 5 TYR CB C 41.989 0.15 1 40 5 5 TYR N N 125.542 0.05 1 41 6 6 GLU H H 8.918 0.01 1 42 6 6 GLU HA H 5.308 0.05 1 43 6 6 GLU HB2 H 1.994 0.05 1 44 6 6 GLU HB3 H 1.994 0.05 1 45 6 6 GLU HG2 H 2.163 0.05 1 46 6 6 GLU HG3 H 2.163 0.05 1 47 6 6 GLU C C 175.897 0.10 1 48 6 6 GLU CA C 55.140 0.15 1 49 6 6 GLU CB C 33.089 0.15 1 50 6 6 GLU CG C 36.199 0.20 1 51 6 6 GLU N N 123.963 0.05 1 52 7 7 SER H H 8.991 0.01 1 53 7 7 SER HA H 4.758 0.05 1 54 7 7 SER HB2 H 3.692 0.05 1 55 7 7 SER HB3 H 3.692 0.05 1 56 7 7 SER C C 172.161 0.10 1 57 7 7 SER CA C 57.640 0.15 1 58 7 7 SER CB C 66.507 0.15 1 59 7 7 SER N N 117.381 0.05 1 60 8 8 GLU H H 8.310 0.01 1 61 8 8 GLU HA H 5.477 0.05 1 62 8 8 GLU HB2 H 1.887 0.05 1 63 8 8 GLU HB3 H 1.887 0.05 1 64 8 8 GLU HG2 H 2.030 0.05 1 65 8 8 GLU HG3 H 2.030 0.05 1 66 8 8 GLU C C 174.727 0.10 1 67 8 8 GLU CA C 54.802 0.15 1 68 8 8 GLU CB C 33.745 0.15 1 69 8 8 GLU CG C 37.141 0.20 1 70 8 8 GLU N N 122.323 0.05 1 71 9 9 PHE H H 8.705 0.01 1 72 9 9 PHE HA H 5.090 0.05 1 73 9 9 PHE HB2 H 3.220 0.05 2 74 9 9 PHE HB3 H 2.666 0.05 2 75 9 9 PHE C C 173.989 0.10 1 76 9 9 PHE CA C 55.066 0.15 1 77 9 9 PHE CB C 41.222 0.15 1 78 9 9 PHE N N 122.188 0.05 1 79 10 10 THR H H 8.507 0.01 1 80 10 10 THR HA H 5.089 0.05 1 81 10 10 THR HB H 4.180 0.05 1 82 10 10 THR HG2 H 1.179 0.05 1 83 10 10 THR C C 173.427 0.10 1 84 10 10 THR CA C 60.648 0.15 1 85 10 10 THR CB C 71.414 0.15 1 86 10 10 THR CG2 C 21.763 0.20 1 87 10 10 THR N N 112.242 0.05 1 88 11 11 SER H H 8.648 0.01 1 89 11 11 SER HA H 4.936 0.05 1 90 11 11 SER HB2 H 3.771 0.05 2 91 11 11 SER HB3 H 3.345 0.05 2 92 11 11 SER C C 175.540 0.10 1 93 11 11 SER CA C 56.059 0.15 1 94 11 11 SER CB C 66.113 0.15 1 95 11 11 SER N N 114.136 0.05 1 96 12 12 GLU H H 9.420 0.01 1 97 12 12 GLU HA H 4.337 0.05 1 98 12 12 GLU HB2 H 1.802 0.05 1 99 12 12 GLU HB3 H 1.802 0.05 1 100 12 12 GLU HG2 H 2.289 0.05 1 101 12 12 GLU HG3 H 2.289 0.05 1 102 12 12 GLU C C 176.026 0.10 1 103 12 12 GLU CA C 57.215 0.15 1 104 12 12 GLU CB C 30.636 0.15 1 105 12 12 GLU CG C 36.757 0.20 1 106 12 12 GLU N N 127.450 0.05 1 107 13 13 ILE H H 8.556 0.01 1 108 13 13 ILE HA H 4.466 0.05 1 109 13 13 ILE HB H 2.198 0.05 1 110 13 13 ILE C C 173.636 0.10 1 111 13 13 ILE CA C 56.511 0.15 1 112 13 13 ILE CB C 36.757 0.15 1 113 13 13 ILE N N 122.343 0.05 1 114 16 16 PRO HA H 4.076 0.05 1 115 16 16 PRO HB2 H 2.495 0.05 2 116 16 16 PRO HB3 H 1.946 0.05 2 117 16 16 PRO HG2 H 2.111 0.05 1 118 16 16 PRO HG3 H 2.111 0.05 1 119 16 16 PRO C C 179.384 0.10 1 120 16 16 PRO CA C 66.520 0.15 1 121 16 16 PRO CB C 30.677 0.15 1 122 16 16 PRO CG C 28.613 0.20 1 123 16 16 PRO CD C 49.379 0.20 1 124 17 17 ARG H H 6.703 0.01 1 125 17 17 ARG HA H 4.274 0.05 1 126 17 17 ARG HB2 H 1.656 0.05 1 127 17 17 ARG HB3 H 1.656 0.05 1 128 17 17 ARG HD2 H 3.262 0.05 1 129 17 17 ARG HD3 H 3.262 0.05 1 130 17 17 ARG HE H 6.841 0.05 1 131 17 17 ARG C C 177.264 0.10 1 132 17 17 ARG CA C 59.005 0.15 1 133 17 17 ARG CB C 30.888 0.15 1 134 17 17 ARG CG C 28.344 0.20 1 135 17 17 ARG CD C 44.213 0.20 1 136 17 17 ARG N N 116.060 0.05 1 137 17 17 ARG NE N 85.571 0.05 1 138 18 18 LEU H H 7.720 0.01 1 139 18 18 LEU HA H 3.877 0.05 1 140 18 18 LEU HB2 H 1.638 0.05 1 141 18 18 LEU HB3 H 1.638 0.05 1 142 18 18 LEU HG H 1.601 0.05 1 143 18 18 LEU HD1 H 0.844 0.05 2 144 18 18 LEU HD2 H 1.277 0.05 2 145 18 18 LEU C C 178.369 0.10 1 146 18 18 LEU CA C 57.707 0.15 1 147 18 18 LEU CB C 42.041 0.15 1 148 18 18 LEU CD1 C 23.598 0.20 2 149 18 18 LEU CD2 C 25.014 0.20 2 150 18 18 LEU N N 118.081 0.05 1 151 19 19 PHE H H 9.252 0.01 1 152 19 19 PHE HA H 3.899 0.05 1 153 19 19 PHE HB2 H 3.173 0.05 1 154 19 19 PHE HB3 H 3.173 0.05 1 155 19 19 PHE C C 177.837 0.10 1 156 19 19 PHE CA C 62.397 0.15 1 157 19 19 PHE CB C 40.514 0.15 1 158 19 19 PHE N N 118.560 0.05 1 159 20 20 LYS H H 7.657 0.01 1 160 20 20 LYS HA H 3.747 0.05 1 161 20 20 LYS HB2 H 2.088 0.05 1 162 20 20 LYS HB3 H 2.088 0.05 1 163 20 20 LYS HG2 H 1.866 0.05 1 164 20 20 LYS HG3 H 1.866 0.05 1 165 20 20 LYS HD2 H 1.610 0.05 1 166 20 20 LYS HD3 H 1.610 0.05 1 167 20 20 LYS HE2 H 3.036 0.05 1 168 20 20 LYS HE3 H 3.036 0.05 1 169 20 20 LYS C C 176.346 0.10 1 170 20 20 LYS CA C 60.322 0.15 1 171 20 20 LYS CB C 33.397 0.15 1 172 20 20 LYS CG C 26.383 0.20 1 173 20 20 LYS CD C 29.974 0.20 1 174 20 20 LYS CE C 42.233 0.20 1 175 20 20 LYS N N 118.085 0.05 1 176 21 21 ALA H H 7.062 0.01 1 177 21 21 ALA HA H 3.204 0.05 1 178 21 21 ALA HB H 0.880 0.05 1 179 21 21 ALA C C 175.397 0.10 1 180 21 21 ALA CA C 54.419 0.15 1 181 21 21 ALA CB C 20.675 0.15 1 182 21 21 ALA N N 118.145 0.05 1 183 22 22 PHE H H 8.273 0.01 1 184 22 22 PHE HA H 4.200 0.05 1 185 22 22 PHE HB2 H 3.013 0.05 2 186 22 22 PHE HB3 H 2.828 0.05 2 187 22 22 PHE C C 174.013 0.10 1 188 22 22 PHE CA C 58.185 0.15 1 189 22 22 PHE CB C 40.444 0.15 1 190 22 22 PHE N N 109.929 0.05 1 191 23 23 VAL H H 7.152 0.01 1 192 23 23 VAL HA H 3.182 0.05 1 193 23 23 VAL HB H 0.753 0.05 1 194 23 23 VAL HG1 H -0.279 0.05 2 195 23 23 VAL HG2 H 0.067 0.05 2 196 23 23 VAL C C 177.757 0.10 1 197 23 23 VAL CA C 63.645 0.15 1 198 23 23 VAL CB C 31.094 0.15 1 199 23 23 VAL CG1 C 20.184 0.20 2 200 23 23 VAL CG2 C 21.066 0.20 2 201 23 23 VAL N N 113.984 0.05 1 202 24 24 LEU H H 7.090 0.01 1 203 24 24 LEU HA H 3.876 0.05 1 204 24 24 LEU HB2 H 2.035 0.05 2 205 24 24 LEU HB3 H 1.499 0.05 2 206 24 24 LEU HG H 1.064 0.05 1 207 24 24 LEU HD1 H 0.803 0.05 2 208 24 24 LEU HD2 H 0.831 0.05 2 209 24 24 LEU C C 178.485 0.10 1 210 24 24 LEU CA C 57.448 0.15 1 211 24 24 LEU CB C 40.254 0.15 1 212 24 24 LEU CG C 25.985 0.20 1 213 24 24 LEU CD1 C 22.238 0.20 2 214 24 24 LEU CD2 C 25.371 0.20 2 215 24 24 LEU N N 115.331 0.05 1 216 25 25 ASP H H 7.697 0.01 1 217 25 25 ASP HA H 5.392 0.05 1 218 25 25 ASP HB2 H 2.816 0.05 1 219 25 25 ASP HB3 H 2.816 0.05 1 220 25 25 ASP C C 177.493 0.10 1 221 25 25 ASP CA C 52.867 0.15 1 222 25 25 ASP CB C 43.511 0.15 1 223 25 25 ASP N N 116.907 0.05 1 224 26 26 ALA H H 6.409 0.01 1 225 26 26 ALA HB H 1.136 0.05 1 226 26 26 ALA C C 178.728 0.10 1 227 26 26 ALA CA C 56.246 0.15 1 228 26 26 ALA CB C 18.834 0.15 1 229 26 26 ALA N N 122.744 0.05 1 230 27 27 ASP H H 8.169 0.01 1 231 27 27 ASP HA H 4.026 0.05 1 232 27 27 ASP HB2 H 2.372 0.05 1 233 27 27 ASP HB3 H 2.372 0.05 1 234 27 27 ASP C C 175.931 0.10 1 235 27 27 ASP CA C 56.652 0.15 1 236 27 27 ASP CB C 39.962 0.15 1 237 27 27 ASP N N 113.483 0.05 1 238 28 28 ASN H H 7.280 0.01 1 239 28 28 ASN HA H 4.701 0.05 1 240 28 28 ASN HB2 H 2.714 0.05 1 241 28 28 ASN HB3 H 2.714 0.05 1 242 28 28 ASN HD21 H 6.956 0.05 2 243 28 28 ASN HD22 H 8.327 0.05 2 244 28 28 ASN C C 176.324 0.10 1 245 28 28 ASN CA C 53.732 0.15 1 246 28 28 ASN CB C 40.162 0.15 1 247 28 28 ASN CG C 176.525 0.20 1 248 28 28 ASN N N 112.999 0.05 1 249 28 28 ASN ND2 N 116.242 0.05 1 250 29 29 LEU H H 8.227 0.01 1 251 29 29 LEU HA H 4.006 0.05 1 252 29 29 LEU HB2 H 1.417 0.05 1 253 29 29 LEU HB3 H 1.417 0.05 1 254 29 29 LEU HG H 0.634 0.05 1 255 29 29 LEU HD1 H 0.418 0.05 1 256 29 29 LEU HD2 H 0.418 0.05 1 257 29 29 LEU C C 177.990 0.10 1 258 29 29 LEU CA C 57.628 0.15 1 259 29 29 LEU CB C 42.417 0.15 1 260 29 29 LEU CG C 25.588 0.20 1 261 29 29 LEU CD1 C 22.194 0.20 1 262 29 29 LEU CD2 C 22.194 0.20 1 263 29 29 LEU N N 120.771 0.05 1 264 30 30 VAL H H 8.333 0.01 1 265 30 30 VAL C C 174.319 0.10 1 266 30 30 VAL CA C 68.942 0.15 1 267 30 30 VAL CB C 28.924 0.15 1 268 30 30 VAL N N 116.756 0.05 1 269 31 31 PRO HA H 4.446 0.05 1 270 31 31 PRO HB2 H 2.374 0.05 2 271 31 31 PRO HB3 H 1.618 0.05 2 272 31 31 PRO HG2 H 2.037 0.05 1 273 31 31 PRO HG3 H 2.037 0.05 1 274 31 31 PRO C C 177.686 0.10 1 275 31 31 PRO CA C 65.495 0.15 1 276 31 31 PRO CB C 31.419 0.15 1 277 31 31 PRO CG C 28.071 0.20 1 278 31 31 PRO CD C 50.398 0.20 1 279 32 32 LYS H H 7.004 0.01 1 280 32 32 LYS HA H 4.152 0.05 1 281 32 32 LYS HB2 H 1.908 0.05 1 282 32 32 LYS HB3 H 1.908 0.05 1 283 32 32 LYS HG2 H 1.601 0.05 1 284 32 32 LYS HG3 H 1.601 0.05 1 285 32 32 LYS HD2 H 1.841 0.05 1 286 32 32 LYS HD3 H 1.841 0.05 1 287 32 32 LYS HE2 H 2.940 0.05 1 288 32 32 LYS HE3 H 2.940 0.05 1 289 32 32 LYS C C 178.203 0.10 1 290 32 32 LYS CA C 58.068 0.15 1 291 32 32 LYS CB C 33.056 0.15 1 292 32 32 LYS CG C 25.190 0.20 1 293 32 32 LYS CD C 29.260 0.20 1 294 32 32 LYS CE C 42.017 0.20 1 295 32 32 LYS N N 112.090 0.05 1 296 33 33 ILE H H 7.454 0.01 1 297 33 33 ILE HA H 4.400 0.05 1 298 33 33 ILE HB H 1.909 0.05 1 299 33 33 ILE CA C 61.477 0.15 1 300 33 33 ILE CB C 39.740 0.15 1 301 33 33 ILE N N 111.292 0.05 1 302 35 35 PRO HA H 4.657 0.05 1 303 35 35 PRO HB2 H 2.465 0.05 2 304 35 35 PRO HB3 H 2.006 0.05 2 305 35 35 PRO HG2 H 2.006 0.05 1 306 35 35 PRO HG3 H 2.006 0.05 1 307 35 35 PRO HD2 H 3.663 0.05 2 308 35 35 PRO HD3 H 3.363 0.05 2 309 35 35 PRO C C 177.520 0.10 1 310 35 35 PRO CA C 64.220 0.15 1 311 35 35 PRO CB C 31.623 0.15 1 312 35 35 PRO CG C 27.271 0.20 1 313 35 35 PRO CD C 50.149 0.20 1 314 36 36 GLN H H 8.712 0.01 1 315 36 36 GLN HA H 4.184 0.05 1 316 36 36 GLN HB2 H 2.025 0.05 1 317 36 36 GLN HB3 H 2.025 0.05 1 318 36 36 GLN HG2 H 2.294 0.05 1 319 36 36 GLN HG3 H 2.294 0.05 1 320 36 36 GLN HE21 H 7.622 0.05 2 321 36 36 GLN HE22 H 6.975 0.05 2 322 36 36 GLN C C 175.965 0.10 1 323 36 36 GLN CA C 57.206 0.15 1 324 36 36 GLN CB C 27.459 0.15 1 325 36 36 GLN CG C 33.446 0.20 1 326 36 36 GLN CD C 180.981 0.20 1 327 36 36 GLN N N 115.900 0.05 1 328 36 36 GLN NE2 N 111.820 0.05 1 329 37 37 ALA H H 8.075 0.01 1 330 37 37 ALA HA H 4.326 0.05 1 331 37 37 ALA HB H 1.379 0.05 1 332 37 37 ALA CA C 53.629 0.15 1 333 37 37 ALA CB C 19.784 0.15 1 334 37 37 ALA N N 123.590 0.05 1 335 39 39 LYS HA H 4.451 0.05 1 336 39 39 LYS HG2 H 1.392 0.05 1 337 39 39 LYS HG3 H 1.392 0.05 1 338 39 39 LYS HD2 H 1.639 0.05 1 339 39 39 LYS HD3 H 1.639 0.05 1 340 39 39 LYS HE2 H 2.945 0.05 1 341 39 39 LYS HE3 H 2.945 0.05 1 342 39 39 LYS C C 176.650 0.10 1 343 39 39 LYS CA C 57.052 0.15 1 344 39 39 LYS CB C 34.058 0.15 1 345 39 39 LYS CG C 24.778 0.20 1 346 39 39 LYS CD C 29.208 0.20 1 347 39 39 LYS CE C 42.171 0.20 1 348 40 40 HIS H H 7.699 0.01 1 349 40 40 HIS HA H 4.701 0.05 1 350 40 40 HIS HB2 H 3.055 0.05 1 351 40 40 HIS HB3 H 3.055 0.05 1 352 40 40 HIS C C 172.431 0.10 1 353 40 40 HIS CA C 55.611 0.15 1 354 40 40 HIS CB C 33.300 0.15 1 355 40 40 HIS N N 114.910 0.05 1 356 41 41 SER H H 7.966 0.01 1 357 41 41 SER HA H 5.152 0.05 1 358 41 41 SER HB2 H 3.440 0.05 1 359 41 41 SER HB3 H 3.440 0.05 1 360 41 41 SER C C 172.612 0.10 1 361 41 41 SER CA C 56.152 0.15 1 362 41 41 SER CB C 64.662 0.15 1 363 41 41 SER N N 118.176 0.05 1 364 42 42 GLU H H 8.602 0.01 1 365 42 42 GLU HA H 4.634 0.05 1 366 42 42 GLU HB2 H 1.912 0.05 1 367 42 42 GLU HB3 H 1.912 0.05 1 368 42 42 GLU HG2 H 2.000 0.05 1 369 42 42 GLU HG3 H 2.000 0.05 1 370 42 42 GLU C C 174.768 0.10 1 371 42 42 GLU CA C 54.256 0.15 1 372 42 42 GLU CB C 34.017 0.15 1 373 42 42 GLU CG C 35.931 0.20 1 374 42 42 GLU N N 123.751 0.05 1 375 43 43 ILE H H 8.924 0.01 1 376 43 43 ILE HA H 4.056 0.05 1 377 43 43 ILE HB H 1.801 0.05 1 378 43 43 ILE HG12 H 1.803 0.05 1 379 43 43 ILE HG13 H 1.803 0.05 1 380 43 43 ILE HG2 H 0.734 0.05 1 381 43 43 ILE HD1 H 0.749 0.05 1 382 43 43 ILE C C 176.365 0.10 1 383 43 43 ILE CA C 62.211 0.15 1 384 43 43 ILE CB C 37.840 0.15 1 385 43 43 ILE CG1 C 28.510 0.20 1 386 43 43 ILE CG2 C 18.108 0.20 1 387 43 43 ILE CD1 C 12.323 0.20 1 388 43 43 ILE N N 125.128 0.05 1 389 44 44 LEU H H 9.199 0.01 1 390 44 44 LEU HA H 4.460 0.05 1 391 44 44 LEU HB2 H 1.613 0.05 1 392 44 44 LEU HB3 H 1.613 0.05 1 393 44 44 LEU HG H 1.628 0.05 1 394 44 44 LEU HD1 H 0.819 0.05 1 395 44 44 LEU HD2 H 0.819 0.05 1 396 44 44 LEU C C 177.294 0.10 1 397 44 44 LEU CA C 55.936 0.15 1 398 44 44 LEU CB C 42.565 0.15 1 399 44 44 LEU CG C 25.995 0.20 1 400 44 44 LEU CD1 C 22.363 0.20 1 401 44 44 LEU CD2 C 22.363 0.20 1 402 44 44 LEU N N 129.114 0.05 1 403 45 45 GLU H H 7.645 0.01 1 404 45 45 GLU HA H 4.608 0.05 1 405 45 45 GLU HB2 H 2.156 0.05 1 406 45 45 GLU HB3 H 2.156 0.05 1 407 45 45 GLU HG2 H 2.178 0.05 1 408 45 45 GLU HG3 H 2.178 0.05 1 409 45 45 GLU C C 174.704 0.10 1 410 45 45 GLU CA C 55.712 0.15 1 411 45 45 GLU CB C 33.525 0.15 1 412 45 45 GLU CG C 36.086 0.20 1 413 45 45 GLU N N 116.194 0.05 1 414 46 46 GLY H H 8.590 0.01 1 415 46 46 GLY HA2 H 3.823 0.05 1 416 46 46 GLY HA3 H 3.823 0.05 1 417 46 46 GLY C C 173.650 0.10 1 418 46 46 GLY CA C 44.581 0.15 1 419 46 46 GLY N N 109.957 0.05 1 420 47 47 ASP H H 7.923 0.01 1 421 47 47 ASP HA H 4.755 0.05 1 422 47 47 ASP HB2 H 3.053 0.05 2 423 47 47 ASP HB3 H 2.584 0.05 2 424 47 47 ASP C C 177.306 0.10 1 425 47 47 ASP CA C 52.929 0.15 1 426 47 47 ASP CB C 41.715 0.15 1 427 47 47 ASP N N 115.217 0.05 1 428 48 48 GLY H H 8.801 0.01 1 429 48 48 GLY HA2 H 3.435 0.05 1 430 48 48 GLY HA3 H 3.435 0.05 1 431 48 48 GLY C C 174.718 0.10 1 432 48 48 GLY CA C 45.170 0.15 1 433 48 48 GLY N N 110.764 0.05 1 434 49 49 GLY H H 8.304 0.01 1 435 49 49 GLY HA2 H 4.068 0.05 1 436 49 49 GLY HA3 H 4.068 0.05 1 437 49 49 GLY C C 172.376 0.10 1 438 49 49 GLY CA C 43.661 0.15 1 439 49 49 GLY N N 106.831 0.05 1 440 50 50 PRO HA H 3.989 0.05 1 441 50 50 PRO HB2 H 2.397 0.05 2 442 50 50 PRO HB3 H 1.944 0.05 2 443 50 50 PRO HG2 H 2.397 0.05 2 444 50 50 PRO HG3 H 1.944 0.05 2 445 50 50 PRO HD2 H 3.822 0.05 1 446 50 50 PRO HD3 H 3.822 0.05 1 447 50 50 PRO C C 176.572 0.10 1 448 50 50 PRO CA C 64.775 0.15 1 449 50 50 PRO CB C 31.391 0.15 1 450 50 50 PRO CG C 28.850 0.20 1 451 50 50 PRO CD C 49.929 0.20 1 452 51 51 GLY H H 9.412 0.01 1 453 51 51 GLY HA2 H 4.589 0.05 2 454 51 51 GLY HA3 H 3.521 0.05 2 455 51 51 GLY C C 174.141 0.10 1 456 51 51 GLY CA C 44.836 0.15 1 457 51 51 GLY N N 114.383 0.05 1 458 52 52 THR H H 7.948 0.01 1 459 52 52 THR HA H 4.691 0.05 1 460 52 52 THR HB H 4.072 0.05 1 461 52 52 THR HG2 H 1.288 0.05 1 462 52 52 THR C C 173.367 0.10 1 463 52 52 THR CA C 64.283 0.15 1 464 52 52 THR CB C 69.667 0.15 1 465 52 52 THR CG2 C 21.172 0.20 1 466 52 52 THR N N 118.810 0.05 1 467 53 53 ILE H H 8.559 0.01 1 468 53 53 ILE HA H 5.296 0.05 1 469 53 53 ILE HB H 1.796 0.05 1 470 53 53 ILE HG12 H 0.958 0.05 1 471 53 53 ILE HG13 H 0.958 0.05 1 472 53 53 ILE HG2 H 0.900 0.05 1 473 53 53 ILE HD1 H 0.872 0.05 1 474 53 53 ILE C C 175.369 0.10 1 475 53 53 ILE CA C 59.638 0.15 1 476 53 53 ILE CB C 39.787 0.15 1 477 53 53 ILE CG1 C 27.371 0.20 1 478 53 53 ILE CG2 C 17.898 0.20 1 479 53 53 ILE CD1 C 11.940 0.20 1 480 53 53 ILE N N 125.319 0.05 1 481 54 54 LYS H H 9.452 0.01 1 482 54 54 LYS HA H 5.295 0.05 1 483 54 54 LYS HB2 H 1.526 0.05 1 484 54 54 LYS HB3 H 1.526 0.05 1 485 54 54 LYS HG2 H 1.264 0.05 1 486 54 54 LYS HG3 H 1.264 0.05 1 487 54 54 LYS HD2 H 1.605 0.05 1 488 54 54 LYS HD3 H 1.605 0.05 1 489 54 54 LYS HE2 H 2.697 0.05 1 490 54 54 LYS HE3 H 2.697 0.05 1 491 54 54 LYS C C 174.389 0.10 1 492 54 54 LYS CA C 54.084 0.15 1 493 54 54 LYS CB C 36.491 0.15 1 494 54 54 LYS CG C 25.480 0.20 1 495 54 54 LYS CD C 29.627 0.20 1 496 54 54 LYS CE C 41.489 0.20 1 497 54 54 LYS N N 126.535 0.05 1 498 55 55 LYS H H 9.286 0.01 1 499 55 55 LYS HA H 5.155 0.05 1 500 55 55 LYS HB2 H 1.843 0.05 2 501 55 55 LYS HB3 H 1.482 0.05 2 502 55 55 LYS HG2 H 1.209 0.05 1 503 55 55 LYS HG3 H 1.209 0.05 1 504 55 55 LYS HD2 H 1.393 0.05 1 505 55 55 LYS HD3 H 1.393 0.05 1 506 55 55 LYS HE2 H 2.452 0.05 1 507 55 55 LYS HE3 H 2.452 0.05 1 508 55 55 LYS C C 174.998 0.10 1 509 55 55 LYS CA C 54.638 0.15 1 510 55 55 LYS CB C 36.224 0.15 1 511 55 55 LYS CG C 25.653 0.20 1 512 55 55 LYS CD C 29.779 0.20 1 513 55 55 LYS CE C 41.461 0.20 1 514 55 55 LYS N N 123.394 0.05 1 515 56 56 ILE H H 9.248 0.01 1 516 56 56 ILE HA H 4.678 0.05 1 517 56 56 ILE HB H 1.563 0.05 1 518 56 56 ILE HG2 H 0.706 0.05 1 519 56 56 ILE HD1 H 0.380 0.05 1 520 56 56 ILE C C 174.923 0.10 1 521 56 56 ILE CA C 60.397 0.15 1 522 56 56 ILE CB C 39.825 0.15 1 523 56 56 ILE CG1 C 27.883 0.20 1 524 56 56 ILE CG2 C 19.039 0.20 1 525 56 56 ILE CD1 C 13.459 0.20 1 526 56 56 ILE N N 132.414 0.05 1 527 57 57 THR H H 8.841 0.01 1 528 57 57 THR HA H 4.877 0.05 1 529 57 57 THR HB H 3.916 0.05 1 530 57 57 THR HG2 H 1.249 0.05 1 531 57 57 THR C C 174.358 0.10 1 532 57 57 THR CA C 61.060 0.15 1 533 57 57 THR CB C 70.152 0.15 1 534 57 57 THR CG2 C 21.743 0.20 1 535 57 57 THR N N 121.554 0.05 1 536 58 58 PHE H H 8.395 0.01 1 537 58 58 PHE HA H 4.949 0.05 1 538 58 58 PHE HB2 H 3.127 0.05 2 539 58 58 PHE HB3 H 2.942 0.05 2 540 58 58 PHE C C 174.370 0.10 1 541 58 58 PHE CA C 56.893 0.15 1 542 58 58 PHE CB C 40.652 0.15 1 543 58 58 PHE N N 123.628 0.05 1 544 59 59 GLY H H 8.081 0.01 1 545 59 59 GLY HA2 H 4.104 0.05 2 546 59 59 GLY HA3 H 3.917 0.05 2 547 59 59 GLY C C 172.277 0.10 1 548 59 59 GLY CA C 44.790 0.15 1 549 59 59 GLY N N 105.354 0.05 1 550 60 60 GLU H H 7.827 0.01 1 551 60 60 GLU HA H 4.860 0.05 1 552 60 60 GLU C C 174.944 0.10 1 553 60 60 GLU CA C 60.719 0.15 1 554 60 60 GLU CB C 33.618 0.15 1 555 60 60 GLU N N 120.740 0.05 1 556 63 63 GLN HA H 4.248 0.01 1 557 63 63 GLN HB2 H 2.190 0.05 1 558 63 63 GLN HB3 H 2.190 0.05 1 559 63 63 GLN HG2 H 2.190 0.05 1 560 63 63 GLN HG3 H 2.190 0.05 1 561 63 63 GLN HE21 H 6.789 0.05 2 562 63 63 GLN HE22 H 7.473 0.05 2 563 63 63 GLN C C 174.929 0.10 1 564 63 63 GLN CA C 56.211 0.15 1 565 63 63 GLN CB C 28.792 0.15 1 566 63 63 GLN CG C 33.762 0.20 1 567 63 63 GLN CD C 180.550 0.20 1 568 63 63 GLN NE2 N 112.240 0.05 1 569 64 64 TYR H H 7.822 0.01 1 570 64 64 TYR HA H 4.824 0.05 1 571 64 64 TYR HB2 H 2.870 0.05 1 572 64 64 TYR HB3 H 2.870 0.05 1 573 64 64 TYR C C 175.688 0.10 1 574 64 64 TYR CA C 56.856 0.15 1 575 64 64 TYR CB C 39.522 0.15 1 576 64 64 TYR N N 119.377 0.05 1 577 65 65 GLY H H 8.213 0.01 1 578 65 65 GLY HA2 H 4.090 0.05 2 579 65 65 GLY HA3 H 3.713 0.05 2 580 65 65 GLY C C 173.059 0.10 1 581 65 65 GLY CA C 44.930 0.15 1 582 65 65 GLY N N 111.142 0.05 1 583 66 66 TYR HA H 5.665 0.05 1 584 66 66 TYR HB2 H 2.867 0.05 1 585 66 66 TYR HB3 H 2.867 0.05 1 586 66 66 TYR C C 174.681 0.10 1 587 66 66 TYR CA C 56.142 0.15 1 588 66 66 TYR CB C 41.825 0.15 1 589 67 67 VAL H H 8.979 0.01 1 590 67 67 VAL HA H 4.985 0.05 1 591 67 67 VAL HB H 2.352 0.05 1 592 67 67 VAL HG1 H 0.828 0.05 2 593 67 67 VAL HG2 H 1.191 0.05 2 594 67 67 VAL C C 175.330 0.10 1 595 67 67 VAL CA C 59.584 0.15 1 596 67 67 VAL CB C 36.703 0.15 1 597 67 67 VAL CG1 C 19.325 0.20 2 598 67 67 VAL CG2 C 23.650 0.20 2 599 67 67 VAL N N 113.199 0.05 1 600 68 68 LYS H H 8.613 0.01 1 601 68 68 LYS HA H 5.732 0.05 1 602 68 68 LYS HB2 H 1.758 0.05 1 603 68 68 LYS HB3 H 1.758 0.05 1 604 68 68 LYS HG2 H 1.696 0.05 1 605 68 68 LYS HG3 H 1.696 0.05 1 606 68 68 LYS HD2 H 1.628 0.05 1 607 68 68 LYS HD3 H 1.628 0.05 1 608 68 68 LYS HE2 H 2.718 0.05 1 609 68 68 LYS HE3 H 2.718 0.05 1 610 68 68 LYS C C 175.734 0.10 1 611 68 68 LYS CA C 55.301 0.15 1 612 68 68 LYS CB C 36.564 0.15 1 613 68 68 LYS CG C 26.019 0.20 1 614 68 68 LYS CD C 29.705 0.20 1 615 68 68 LYS CE C 41.741 0.20 1 616 68 68 LYS N N 118.447 0.05 1 617 69 69 HIS H H 9.102 0.01 1 618 69 69 HIS HA H 5.961 0.05 1 619 69 69 HIS HB2 H 2.874 0.05 1 620 69 69 HIS HB3 H 2.874 0.05 1 621 69 69 HIS C C 174.042 0.10 1 622 69 69 HIS CA C 52.340 0.15 1 623 69 69 HIS CB C 36.293 0.15 1 624 69 69 HIS N N 122.465 0.05 1 625 70 70 LYS H H 9.732 0.01 1 626 70 70 LYS HA H 5.596 0.05 1 627 70 70 LYS HB2 H 1.889 0.05 2 628 70 70 LYS HB3 H 1.539 0.05 2 629 70 70 LYS HG2 H 1.233 0.05 1 630 70 70 LYS HG3 H 1.233 0.05 1 631 70 70 LYS HD2 H 1.611 0.05 1 632 70 70 LYS HD3 H 1.611 0.05 1 633 70 70 LYS HE2 H 2.931 0.05 1 634 70 70 LYS HE3 H 2.931 0.05 1 635 70 70 LYS C C 175.902 0.10 1 636 70 70 LYS CA C 53.646 0.15 1 637 70 70 LYS CB C 36.134 0.15 1 638 70 70 LYS CG C 24.370 0.20 1 639 70 70 LYS CD C 29.671 0.20 1 640 70 70 LYS CE C 42.107 0.20 1 641 70 70 LYS N N 123.676 0.05 1 642 71 71 ILE H H 9.274 0.01 1 643 71 71 ILE HA H 4.002 0.05 1 644 71 71 ILE HB H 2.125 0.05 1 645 71 71 ILE HG12 H 1.572 0.05 1 646 71 71 ILE HG13 H 1.572 0.05 1 647 71 71 ILE HG2 H 0.924 0.05 1 648 71 71 ILE HD1 H 0.914 0.05 1 649 71 71 ILE C C 175.215 0.10 1 650 71 71 ILE CA C 62.499 0.15 1 651 71 71 ILE CB C 36.723 0.15 1 652 71 71 ILE CG1 C 27.416 0.20 1 653 71 71 ILE CG2 C 17.295 0.20 1 654 71 71 ILE CD1 C 11.743 0.20 1 655 71 71 ILE N N 126.580 0.05 1 656 72 72 ASP H H 9.071 0.01 1 657 72 72 ASP HA H 4.968 0.05 1 658 72 72 ASP HB2 H 2.587 0.05 2 659 72 72 ASP HB3 H 2.387 0.05 2 660 72 72 ASP C C 176.274 0.10 1 661 72 72 ASP CA C 56.591 0.15 1 662 72 72 ASP CB C 42.712 0.15 1 663 72 72 ASP N N 130.750 0.05 1 664 73 73 SER H H 8.264 0.01 1 665 73 73 SER HA H 4.631 0.05 1 666 73 73 SER HB2 H 3.829 0.05 1 667 73 73 SER HB3 H 3.829 0.05 1 668 73 73 SER C C 172.639 0.10 1 669 73 73 SER CA C 58.352 0.15 1 670 73 73 SER CB C 64.835 0.15 1 671 73 73 SER N N 112.707 0.05 1 672 74 74 ILE H H 8.621 0.01 1 673 74 74 ILE HA H 4.694 0.05 1 674 74 74 ILE HB H 2.023 0.05 1 675 74 74 ILE HG12 H 1.718 0.05 2 676 74 74 ILE HG13 H 1.229 0.05 2 677 74 74 ILE HG2 H 1.135 0.05 1 678 74 74 ILE HD1 H 1.000 0.05 1 679 74 74 ILE C C 173.663 0.10 1 680 74 74 ILE CA C 62.260 0.15 1 681 74 74 ILE CB C 41.492 0.15 1 682 74 74 ILE CG1 C 28.272 0.20 1 683 74 74 ILE CG2 C 17.335 0.20 1 684 74 74 ILE CD1 C 14.305 0.20 1 685 74 74 ILE N N 121.797 0.05 1 686 75 75 ASP H H 9.064 0.01 1 687 75 75 ASP HA H 5.038 0.05 1 688 75 75 ASP HB2 H 3.164 0.05 2 689 75 75 ASP HB3 H 2.460 0.05 2 690 75 75 ASP C C 176.321 0.10 1 691 75 75 ASP CA C 52.234 0.15 1 692 75 75 ASP CB C 41.607 0.15 1 693 75 75 ASP N N 127.752 0.05 1 694 76 76 LYS H H 8.904 0.01 1 695 76 76 LYS HA H 3.821 0.05 1 696 76 76 LYS HB2 H 1.917 0.05 1 697 76 76 LYS HB3 H 1.917 0.05 1 698 76 76 LYS HG2 H 1.603 0.05 1 699 76 76 LYS HG3 H 1.603 0.05 1 700 76 76 LYS HD2 H 1.603 0.05 1 701 76 76 LYS HD3 H 1.603 0.05 1 702 76 76 LYS HE2 H 3.043 0.05 1 703 76 76 LYS HE3 H 3.043 0.05 1 704 76 76 LYS C C 177.321 0.10 1 705 76 76 LYS CA C 58.585 0.15 1 706 76 76 LYS CB C 32.584 0.15 1 707 76 76 LYS CG C 25.926 0.20 1 708 76 76 LYS CD C 29.609 0.20 1 709 76 76 LYS CE C 41.808 0.20 1 710 76 76 LYS N N 122.843 0.05 1 711 77 77 GLU H H 8.119 0.01 1 712 77 77 GLU HA H 3.932 0.05 1 713 77 77 GLU HB2 H 1.985 0.05 1 714 77 77 GLU HB3 H 1.985 0.05 1 715 77 77 GLU HG2 H 2.229 0.05 1 716 77 77 GLU HG3 H 2.229 0.05 1 717 77 77 GLU C C 176.779 0.10 1 718 77 77 GLU CA C 58.327 0.15 1 719 77 77 GLU CB C 29.562 0.15 1 720 77 77 GLU CG C 36.569 0.20 1 721 77 77 GLU N N 117.890 0.05 1 722 78 78 ASN H H 7.370 0.01 1 723 78 78 ASN HA H 4.608 0.05 1 724 78 78 ASN HB2 H 2.705 0.05 2 725 78 78 ASN HB3 H 2.278 0.05 2 726 78 78 ASN HD21 H 6.955 0.05 2 727 78 78 ASN HD22 H 8.538 0.05 2 728 78 78 ASN C C 173.359 0.10 1 729 78 78 ASN CA C 51.982 0.15 1 730 78 78 ASN CB C 39.192 0.15 1 731 78 78 ASN CG C 177.426 0.20 1 732 78 78 ASN N N 113.426 0.05 1 733 78 78 ASN ND2 N 117.376 0.05 1 734 79 79 HIS H H 6.791 0.01 1 735 79 79 HIS HA H 4.265 0.05 1 736 79 79 HIS HB2 H 2.598 0.05 2 737 79 79 HIS HB3 H 3.689 0.05 2 738 79 79 HIS C C 172.929 0.10 1 739 79 79 HIS CA C 57.482 0.15 1 740 79 79 HIS CB C 27.590 0.15 1 741 79 79 HIS N N 115.542 0.05 1 742 80 80 SER H H 8.204 0.01 1 743 80 80 SER HA H 5.852 0.05 1 744 80 80 SER HB2 H 3.879 0.05 1 745 80 80 SER HB3 H 3.879 0.05 1 746 80 80 SER C C 172.838 0.10 1 747 80 80 SER CA C 56.475 0.15 1 748 80 80 SER CB C 66.675 0.15 1 749 80 80 SER N N 111.833 0.05 1 750 81 81 TYR H H 9.259 0.01 1 751 81 81 TYR HA H 5.503 0.05 1 752 81 81 TYR HB2 H 3.409 0.05 2 753 81 81 TYR HB3 H 2.960 0.05 2 754 81 81 TYR C C 173.701 0.10 1 755 81 81 TYR CA C 56.091 0.15 1 756 81 81 TYR CB C 43.212 0.15 1 757 81 81 TYR N N 124.764 0.05 1 758 82 82 SER H H 9.235 0.01 1 759 82 82 SER HA H 5.542 0.05 1 760 82 82 SER HB2 H 4.129 0.05 1 761 82 82 SER HB3 H 4.129 0.05 1 762 82 82 SER C C 172.432 0.10 1 763 82 82 SER CA C 56.913 0.15 1 764 82 82 SER CB C 65.678 0.15 1 765 82 82 SER N N 122.537 0.05 1 766 83 83 TYR H H 8.618 0.01 1 767 83 83 TYR HA H 5.372 0.05 1 768 83 83 TYR HB2 H 2.769 0.05 1 769 83 83 TYR HB3 H 2.769 0.05 1 770 83 83 TYR C C 172.222 0.10 1 771 83 83 TYR CA C 56.744 0.15 1 772 83 83 TYR CB C 40.847 0.15 1 773 83 83 TYR N N 122.022 0.05 1 774 84 84 THR H H 9.595 0.01 1 775 84 84 THR HA H 5.093 0.05 1 776 84 84 THR HB H 3.953 0.05 1 777 84 84 THR HG2 H 0.992 0.05 1 778 84 84 THR C C 173.497 0.10 1 779 84 84 THR CA C 61.797 0.15 1 780 84 84 THR CB C 71.872 0.15 1 781 84 84 THR CG2 C 22.675 0.20 1 782 84 84 THR N N 116.772 0.05 1 783 85 85 LEU H H 9.811 0.01 1 784 85 85 LEU HA H 5.194 0.05 1 785 85 85 LEU HB2 H 1.784 0.05 2 786 85 85 LEU HB3 H 2.186 0.05 2 787 85 85 LEU HG H 1.317 0.05 1 788 85 85 LEU HD1 H 1.007 0.05 1 789 85 85 LEU HD2 H 1.007 0.05 1 790 85 85 LEU C C 175.341 0.10 1 791 85 85 LEU CA C 55.841 0.15 1 792 85 85 LEU CB C 43.592 0.15 1 793 85 85 LEU CG C 26.344 0.20 1 794 85 85 LEU CD1 C 25.443 0.20 1 795 85 85 LEU CD2 C 25.443 0.20 1 796 85 85 LEU N N 130.686 0.05 1 797 86 86 ILE H H 8.077 0.01 1 798 86 86 ILE HA H 4.802 0.05 1 799 86 86 ILE HB H 2.167 0.05 1 800 86 86 ILE HG12 H 1.388 0.05 2 801 86 86 ILE HG13 H 1.006 0.05 2 802 86 86 ILE HG2 H 0.972 0.05 1 803 86 86 ILE HD1 H 0.516 0.05 1 804 86 86 ILE C C 176.164 0.10 1 805 86 86 ILE CA C 61.375 0.15 1 806 86 86 ILE CB C 40.188 0.15 1 807 86 86 ILE CG1 C 26.459 0.20 1 808 86 86 ILE CG2 C 18.958 0.20 1 809 86 86 ILE CD1 C 14.142 0.20 1 810 86 86 ILE N N 117.334 0.05 1 811 87 87 GLU H H 7.618 0.01 1 812 87 87 GLU HA H 4.513 0.05 1 813 87 87 GLU HB2 H 2.273 0.05 2 814 87 87 GLU HB3 H 1.853 0.05 2 815 87 87 GLU HG2 H 2.497 0.05 2 816 87 87 GLU HG3 H 2.254 0.05 2 817 87 87 GLU C C 173.895 0.10 1 818 87 87 GLU CA C 56.929 0.15 1 819 87 87 GLU CB C 35.075 0.15 1 820 87 87 GLU CG C 37.059 0.20 1 821 87 87 GLU N N 121.355 0.05 1 822 88 88 GLY H H 8.860 0.01 1 823 88 88 GLY HA2 H 3.702 0.05 1 824 88 88 GLY HA3 H 3.702 0.05 1 825 88 88 GLY C C 174.181 0.10 1 826 88 88 GLY CA C 44.973 0.15 1 827 88 88 GLY N N 111.777 0.05 1 828 89 89 ASP H H 8.605 0.01 1 829 89 89 ASP HA H 4.396 0.05 1 830 89 89 ASP HB2 H 2.782 0.05 2 831 89 89 ASP HB3 H 2.584 0.05 2 832 89 89 ASP C C 177.918 0.10 1 833 89 89 ASP CA C 57.265 0.15 1 834 89 89 ASP CB C 41.020 0.15 1 835 89 89 ASP N N 120.849 0.05 1 836 90 90 ALA H H 8.212 0.01 1 837 90 90 ALA HB H 1.294 0.05 1 838 90 90 ALA C C 178.231 0.10 1 839 90 90 ALA CA C 53.651 0.15 1 840 90 90 ALA CB C 19.014 0.15 1 841 90 90 ALA N N 119.897 0.05 1 842 91 91 LEU H H 7.643 0.01 1 843 91 91 LEU HA H 4.303 0.05 1 844 91 91 LEU HB2 H 1.966 0.05 2 845 91 91 LEU HB3 H 1.473 0.05 2 846 91 91 LEU HD1 H 0.640 0.05 2 847 91 91 LEU HD2 H 0.756 0.05 2 848 91 91 LEU C C 177.270 0.10 1 849 91 91 LEU CA C 55.563 0.15 1 850 91 91 LEU CB C 40.295 0.15 1 851 91 91 LEU CG C 27.341 0.20 1 852 91 91 LEU CD1 C 23.076 0.20 2 853 91 91 LEU CD2 C 25.091 0.20 2 854 91 91 LEU N N 115.068 0.05 1 855 92 92 GLY H H 7.648 0.01 1 856 92 92 GLY HA2 H 3.994 0.05 1 857 92 92 GLY HA3 H 3.994 0.05 1 858 92 92 GLY C C 174.232 0.10 1 859 92 92 GLY CA C 46.215 0.15 1 860 92 92 GLY N N 104.979 0.05 1 861 93 93 ASP H H 8.682 0.01 1 862 93 93 ASP HA H 4.793 0.05 1 863 93 93 ASP HB2 H 2.712 0.05 1 864 93 93 ASP HB3 H 2.712 0.05 1 865 93 93 ASP C C 177.185 0.10 1 866 93 93 ASP CA C 54.516 0.15 1 867 93 93 ASP CB C 41.481 0.15 1 868 93 93 ASP N N 121.333 0.05 1 869 94 94 ASN H H 8.516 0.01 1 870 94 94 ASN HA H 4.836 0.05 1 871 94 94 ASN HB2 H 2.932 0.05 1 872 94 94 ASN HB3 H 2.932 0.05 1 873 94 94 ASN HD21 H 6.884 0.05 2 874 94 94 ASN HD22 H 7.507 0.05 2 875 94 94 ASN C C 174.621 0.10 1 876 94 94 ASN CA C 53.983 0.15 1 877 94 94 ASN CB C 39.927 0.15 1 878 94 94 ASN CG C 177.003 0.20 1 879 94 94 ASN N N 114.419 0.05 1 880 94 94 ASN ND2 N 111.715 0.05 1 881 95 95 LEU H H 7.777 0.01 1 882 95 95 LEU HA H 5.065 0.05 1 883 95 95 LEU HB2 H 2.152 0.05 2 884 95 95 LEU HB3 H 1.335 0.05 2 885 95 95 LEU HD1 H 1.017 0.05 1 886 95 95 LEU HD2 H 1.017 0.05 1 887 95 95 LEU C C 175.754 0.10 1 888 95 95 LEU CA C 53.975 0.15 1 889 95 95 LEU CB C 44.053 0.15 1 890 95 95 LEU CG C 26.276 0.20 1 891 95 95 LEU CD1 C 25.866 0.20 1 892 95 95 LEU CD2 C 25.866 0.20 1 893 95 95 LEU N N 118.948 0.05 1 894 96 96 GLU H H 9.261 0.01 1 895 96 96 GLU HA H 4.231 0.05 1 896 96 96 GLU HB2 H 2.058 0.05 1 897 96 96 GLU HB3 H 2.058 0.05 1 898 96 96 GLU HG2 H 2.251 0.05 1 899 96 96 GLU HG3 H 2.251 0.05 1 900 96 96 GLU C C 175.969 0.10 1 901 96 96 GLU CA C 57.501 0.15 1 902 96 96 GLU CB C 31.824 0.15 1 903 96 96 GLU CG C 36.081 0.20 1 904 96 96 GLU N N 122.545 0.05 1 905 97 97 LYS H H 7.622 0.01 1 906 97 97 LYS HA H 4.794 0.05 1 907 97 97 LYS HB2 H 2.249 0.05 1 908 97 97 LYS HB3 H 2.249 0.05 1 909 97 97 LYS HG2 H 1.233 0.05 1 910 97 97 LYS HG3 H 1.233 0.05 1 911 97 97 LYS HD2 H 1.607 0.05 1 912 97 97 LYS HD3 H 1.607 0.05 1 913 97 97 LYS C C 173.995 0.10 1 914 97 97 LYS CA C 55.698 0.15 1 915 97 97 LYS CB C 33.555 0.15 1 916 97 97 LYS CG C 23.112 0.20 1 917 97 97 LYS CD C 29.607 0.20 1 918 97 97 LYS CE C 41.020 0.20 1 919 97 97 LYS N N 108.873 0.05 1 920 98 98 ILE H H 7.477 0.01 1 921 98 98 ILE HA H 4.882 0.05 1 922 98 98 ILE HB H 1.403 0.05 1 923 98 98 ILE HG12 H 1.395 0.05 1 924 98 98 ILE HG13 H 1.395 0.05 1 925 98 98 ILE HG2 H -0.296 0.05 1 926 98 98 ILE HD1 H 0.513 0.05 1 927 98 98 ILE C C 174.693 0.10 1 928 98 98 ILE CA C 60.839 0.15 1 929 98 98 ILE CB C 41.896 0.15 1 930 98 98 ILE CG1 C 27.226 0.20 1 931 98 98 ILE CG2 C 16.312 0.20 1 932 98 98 ILE CD1 C 14.196 0.20 1 933 98 98 ILE N N 117.780 0.05 1 934 99 99 SER H H 9.140 0.01 1 935 99 99 SER HA H 5.064 0.05 1 936 99 99 SER HB2 H 4.016 0.05 2 937 99 99 SER HB3 H 3.731 0.05 2 938 99 99 SER C C 175.655 0.10 1 939 99 99 SER CA C 57.671 0.15 1 940 99 99 SER CB C 65.315 0.15 1 941 99 99 SER N N 123.126 0.05 1 942 100 100 TYR H H 9.189 0.01 1 943 100 100 TYR HA H 5.265 0.05 1 944 100 100 TYR HB2 H 2.595 0.05 2 945 100 100 TYR HB3 H 1.609 0.05 2 946 100 100 TYR C C 176.427 0.10 1 947 100 100 TYR CA C 56.962 0.15 1 948 100 100 TYR CB C 41.403 0.15 1 949 100 100 TYR N N 122.338 0.05 1 950 101 101 GLU H H 8.969 0.01 1 951 101 101 GLU HA H 5.041 0.05 1 952 101 101 GLU HB2 H 2.123 0.05 1 953 101 101 GLU HB3 H 2.123 0.05 1 954 101 101 GLU HG2 H 2.176 0.05 1 955 101 101 GLU HG3 H 2.176 0.05 1 956 101 101 GLU C C 171.820 0.10 1 957 101 101 GLU CA C 55.859 0.15 1 958 101 101 GLU CB C 33.105 0.15 1 959 101 101 GLU CG C 36.424 0.20 1 960 101 101 GLU N N 121.438 0.05 1 961 102 102 THR H H 9.213 0.01 1 962 102 102 THR HA H 5.536 0.05 1 963 102 102 THR HB H 4.217 0.05 1 964 102 102 THR HG2 H 1.343 0.05 1 965 102 102 THR C C 172.759 0.10 1 966 102 102 THR CA C 61.953 0.15 1 967 102 102 THR CB C 71.291 0.15 1 968 102 102 THR CG2 C 22.424 0.20 1 969 102 102 THR N N 122.375 0.05 1 970 103 103 LYS H H 9.104 0.01 1 971 103 103 LYS HA H 5.307 0.05 1 972 103 103 LYS HB2 H 1.906 0.05 2 973 103 103 LYS HB3 H 1.541 0.05 2 974 103 103 LYS HG2 H 1.408 0.05 1 975 103 103 LYS HG3 H 1.408 0.05 1 976 103 103 LYS HD2 H 1.677 0.05 1 977 103 103 LYS HD3 H 1.677 0.05 1 978 103 103 LYS HE2 H 2.933 0.05 1 979 103 103 LYS HE3 H 2.933 0.05 1 980 103 103 LYS C C 174.296 0.10 1 981 103 103 LYS CA C 55.224 0.15 1 982 103 103 LYS CB C 36.205 0.15 1 983 103 103 LYS CG C 24.909 0.20 1 984 103 103 LYS CD C 29.306 0.20 1 985 103 103 LYS CE C 42.230 0.20 1 986 103 103 LYS N N 126.620 0.05 1 987 104 104 LEU H H 8.438 0.01 1 988 104 104 LEU HA H 5.435 0.05 1 989 104 104 LEU HB2 H 2.124 0.05 2 990 104 104 LEU HB3 H 1.342 0.05 2 991 104 104 LEU HG H 1.173 0.05 1 992 104 104 LEU HD1 H 0.944 0.05 2 993 104 104 LEU HD2 H 0.926 0.05 2 994 104 104 LEU C C 175.885 0.10 1 995 104 104 LEU CA C 54.319 0.15 1 996 104 104 LEU CB C 43.309 0.15 1 997 104 104 LEU CG C 26.509 0.20 1 998 104 104 LEU CD1 C 22.909 0.20 2 999 104 104 LEU CD2 C 25.444 0.20 2 1000 104 104 LEU N N 123.465 0.05 1 1001 105 105 VAL H H 9.013 0.01 1 1002 105 105 VAL HA H 4.450 0.05 1 1003 105 105 VAL HB H 2.117 0.05 1 1004 105 105 VAL HG1 H 0.955 0.05 1 1005 105 105 VAL HG2 H 0.955 0.05 1 1006 105 105 VAL C C 174.930 0.10 1 1007 105 105 VAL CA C 60.087 0.15 1 1008 105 105 VAL CB C 35.289 0.15 1 1009 105 105 VAL CG1 C 20.949 0.20 1 1010 105 105 VAL CG2 C 20.949 0.20 1 1011 105 105 VAL N N 120.853 0.05 1 1012 106 106 ALA H H 8.833 0.01 1 1013 106 106 ALA HA H 4.686 0.05 1 1014 106 106 ALA HB H 1.468 0.05 1 1015 106 106 ALA C C 177.636 0.10 1 1016 106 106 ALA CA C 52.936 0.15 1 1017 106 106 ALA CB C 18.543 0.15 1 1018 106 106 ALA N N 127.670 0.05 1 1019 107 107 SER H H 8.206 0.01 1 1020 107 107 SER HA H 4.866 0.05 1 1021 107 107 SER HB2 H 3.466 0.05 2 1022 107 107 SER HB3 H 4.213 0.05 2 1023 107 107 SER C C 174.720 0.10 1 1024 107 107 SER CA C 54.225 0.15 1 1025 107 107 SER CB C 64.210 0.15 1 1026 107 107 SER N N 119.755 0.05 1 1027 109 109 SER HA H 4.542 0.05 1 1028 109 109 SER HB2 H 4.132 0.05 2 1029 109 109 SER HB3 H 3.782 0.05 2 1030 109 109 SER C C 174.953 0.10 1 1031 109 109 SER CA C 57.900 0.15 1 1032 109 109 SER CB C 63.374 0.15 1 1033 110 110 GLY H H 7.872 0.01 1 1034 110 110 GLY HA2 H 4.452 0.05 2 1035 110 110 GLY HA3 H 3.800 0.05 2 1036 110 110 GLY C C 174.133 0.10 1 1037 110 110 GLY CA C 45.440 0.15 1 1038 110 110 GLY N N 109.963 0.05 1 1039 111 111 GLY H H 7.373 0.01 1 1040 111 111 GLY HA2 H 3.899 0.05 1 1041 111 111 GLY HA3 H 3.899 0.05 1 1042 111 111 GLY C C 174.808 0.10 1 1043 111 111 GLY CA C 44.033 0.15 1 1044 111 111 GLY N N 108.222 0.05 1 1045 112 112 SER H H 8.763 0.01 1 1046 112 112 SER HA H 5.479 0.05 1 1047 112 112 SER HB2 H 3.405 0.05 1 1048 112 112 SER HB3 H 3.405 0.05 1 1049 112 112 SER C C 173.507 0.10 1 1050 112 112 SER CA C 58.982 0.15 1 1051 112 112 SER CB C 67.236 0.15 1 1052 112 112 SER N N 119.171 0.05 1 1053 113 113 ILE H H 9.586 0.01 1 1054 113 113 ILE HA H 4.334 0.05 1 1055 113 113 ILE HB H 1.669 0.05 1 1056 113 113 ILE HG12 H 1.366 0.05 2 1057 113 113 ILE HG13 H 1.055 0.05 2 1058 113 113 ILE HG2 H 0.746 0.05 1 1059 113 113 ILE HD1 H 0.746 0.05 1 1060 113 113 ILE C C 174.890 0.10 1 1061 113 113 ILE CA C 61.202 0.15 1 1062 113 113 ILE CB C 39.122 0.15 1 1063 113 113 ILE CG1 C 27.694 0.20 1 1064 113 113 ILE CG2 C 17.722 0.20 1 1065 113 113 ILE CD1 C 13.011 0.20 1 1066 113 113 ILE N N 125.490 0.05 1 1067 114 114 ILE H H 9.113 0.01 1 1068 114 114 ILE HA H 4.404 0.05 1 1069 114 114 ILE HB H 1.219 0.05 1 1070 114 114 ILE HG12 H 1.041 0.05 2 1071 114 114 ILE HG13 H 0.465 0.05 2 1072 114 114 ILE HG2 H 0.417 0.05 1 1073 114 114 ILE HD1 H 0.083 0.05 1 1074 114 114 ILE C C 174.838 0.10 1 1075 114 114 ILE CA C 61.166 0.15 1 1076 114 114 ILE CB C 38.613 0.15 1 1077 114 114 ILE CG1 C 28.213 0.20 1 1078 114 114 ILE CG2 C 19.235 0.20 1 1079 114 114 ILE CD1 C 15.032 0.20 1 1080 114 114 ILE N N 127.995 0.05 1 1081 115 115 LYS H H 9.054 0.01 1 1082 115 115 LYS HA H 4.894 0.05 1 1083 115 115 LYS HB2 H 1.887 0.05 1 1084 115 115 LYS HB3 H 1.887 0.05 1 1085 115 115 LYS HG2 H 1.394 0.05 1 1086 115 115 LYS HG3 H 1.394 0.05 1 1087 115 115 LYS HD2 H 1.602 0.05 1 1088 115 115 LYS HD3 H 1.602 0.05 1 1089 115 115 LYS HE2 H 2.854 0.05 1 1090 115 115 LYS HE3 H 2.854 0.05 1 1091 115 115 LYS C C 175.970 0.10 1 1092 115 115 LYS CA C 55.255 0.15 1 1093 115 115 LYS CB C 33.166 0.15 1 1094 115 115 LYS CG C 24.886 0.20 1 1095 115 115 LYS CD C 29.195 0.20 1 1096 115 115 LYS CE C 41.855 0.20 1 1097 115 115 LYS N N 127.149 0.05 1 1098 116 116 SER H H 8.809 0.01 1 1099 116 116 SER HA H 5.599 0.05 1 1100 116 116 SER HB2 H 3.915 0.05 2 1101 116 116 SER HB3 H 3.690 0.05 2 1102 116 116 SER C C 173.773 0.10 1 1103 116 116 SER CA C 56.815 0.15 1 1104 116 116 SER CB C 64.842 0.15 1 1105 116 116 SER N N 121.097 0.05 1 1106 117 117 THR H H 9.482 0.01 1 1107 117 117 THR HA H 5.037 0.05 1 1108 117 117 THR HB H 3.904 0.05 1 1109 117 117 THR HG2 H 0.797 0.05 1 1110 117 117 THR C C 173.442 0.10 1 1111 117 117 THR CA C 62.134 0.15 1 1112 117 117 THR CB C 70.281 0.15 1 1113 117 117 THR CG2 C 22.751 0.20 1 1114 117 117 THR N N 126.312 0.05 1 1115 118 118 SER H H 9.028 0.01 1 1116 118 118 SER HA H 5.093 0.05 1 1117 118 118 SER HB2 H 3.584 0.05 1 1118 118 118 SER HB3 H 3.584 0.05 1 1119 118 118 SER C C 172.357 0.10 1 1120 118 118 SER CA C 55.947 0.15 1 1121 118 118 SER CB C 66.137 0.15 1 1122 118 118 SER N N 121.093 0.05 1 1123 119 119 HIS H H 9.370 0.01 1 1124 119 119 HIS HA H 5.332 0.05 1 1125 119 119 HIS HB2 H 3.250 0.05 2 1126 119 119 HIS HB3 H 2.411 0.05 2 1127 119 119 HIS C C 174.361 0.10 1 1128 119 119 HIS CA C 53.849 0.15 1 1129 119 119 HIS CB C 31.694 0.15 1 1130 119 119 HIS N N 122.233 0.05 1 1131 120 120 TYR H H 10.113 0.01 1 1132 120 120 TYR HA H 4.527 0.05 1 1133 120 120 TYR HB2 H 3.558 0.05 2 1134 120 120 TYR HB3 H 2.740 0.05 2 1135 120 120 TYR C C 174.932 0.10 1 1136 120 120 TYR CA C 58.344 0.15 1 1137 120 120 TYR CB C 39.795 0.15 1 1138 120 120 TYR N N 126.321 0.05 1 1139 121 121 HIS H H 8.297 0.01 1 1140 121 121 HIS HA H 5.365 0.05 1 1141 121 121 HIS HB2 H 3.232 0.05 1 1142 121 121 HIS HB3 H 3.232 0.05 1 1143 121 121 HIS C C 175.933 0.10 1 1144 121 121 HIS CA C 55.309 0.15 1 1145 121 121 HIS CB C 31.064 0.15 1 1146 121 121 HIS N N 123.954 0.05 1 1147 122 122 THR H H 9.324 0.01 1 1148 122 122 THR HA H 5.040 0.05 1 1149 122 122 THR HB H 4.451 0.05 1 1150 122 122 THR HG2 H 1.286 0.05 1 1151 122 122 THR C C 175.080 0.10 1 1152 122 122 THR CA C 60.546 0.15 1 1153 122 122 THR CB C 70.504 0.15 1 1154 122 122 THR CG2 C 22.820 0.20 1 1155 122 122 THR N N 115.935 0.05 1 1156 123 123 LYS H H 8.312 0.01 1 1157 123 123 LYS HA H 4.505 0.05 1 1158 123 123 LYS HB2 H 1.630 0.05 1 1159 123 123 LYS HB3 H 1.630 0.05 1 1160 123 123 LYS HG2 H 1.368 0.05 1 1161 123 123 LYS HG3 H 1.368 0.05 1 1162 123 123 LYS HD2 H 1.633 0.05 1 1163 123 123 LYS HD3 H 1.633 0.05 1 1164 123 123 LYS HE2 H 2.848 0.05 1 1165 123 123 LYS HE3 H 2.848 0.05 1 1166 123 123 LYS C C 176.573 0.10 1 1167 123 123 LYS CA C 56.124 0.15 1 1168 123 123 LYS CB C 33.042 0.15 1 1169 123 123 LYS CG C 25.499 0.20 1 1170 123 123 LYS CD C 29.333 0.20 1 1171 123 123 LYS CE C 42.009 0.20 1 1172 123 123 LYS N N 121.280 0.05 1 1173 124 124 GLY H H 8.405 0.01 1 1174 124 124 GLY HA2 H 3.971 0.05 1 1175 124 124 GLY HA3 H 3.971 0.05 1 1176 124 124 GLY C C 174.322 0.10 1 1177 124 124 GLY CA C 45.750 0.15 1 1178 124 124 GLY N N 110.864 0.05 1 1179 125 125 ASP H H 8.670 0.01 1 1180 125 125 ASP HA H 4.788 0.05 1 1181 125 125 ASP HB2 H 2.803 0.05 2 1182 125 125 ASP HB3 H 2.611 0.05 2 1183 125 125 ASP C C 175.804 0.10 1 1184 125 125 ASP CA C 54.044 0.15 1 1185 125 125 ASP CB C 40.535 0.15 1 1186 125 125 ASP N N 122.741 0.05 1 1187 126 126 VAL H H 7.542 0.01 1 1188 126 126 VAL HA H 4.139 0.05 1 1189 126 126 VAL HB H 2.116 0.05 1 1190 126 126 VAL HG1 H 0.975 0.05 1 1191 126 126 VAL HG2 H 0.975 0.05 1 1192 126 126 VAL C C 175.312 0.10 1 1193 126 126 VAL CA C 62.053 0.15 1 1194 126 126 VAL CB C 33.687 0.15 1 1195 126 126 VAL CG1 C 21.160 0.20 1 1196 126 126 VAL CG2 C 21.160 0.20 1 1197 126 126 VAL N N 119.657 0.05 1 1198 127 127 GLU H H 8.399 0.01 1 1199 127 127 GLU HA H 4.078 0.05 1 1200 127 127 GLU HB2 H 2.167 0.05 1 1201 127 127 GLU HB3 H 2.167 0.05 1 1202 127 127 GLU HG2 H 1.821 0.05 1 1203 127 127 GLU HG3 H 1.821 0.05 1 1204 127 127 GLU C C 175.760 0.10 1 1205 127 127 GLU CA C 55.445 0.15 1 1206 127 127 GLU CB C 31.065 0.15 1 1207 127 127 GLU CG C 36.089 0.20 1 1208 127 127 GLU N N 125.044 0.05 1 1209 128 128 ILE H H 6.734 0.01 1 1210 128 128 ILE HA H 4.019 0.05 1 1211 128 128 ILE HB H 1.298 0.05 1 1212 128 128 ILE HG12 H 0.960 0.05 1 1213 128 128 ILE HG13 H 0.960 0.05 1 1214 128 128 ILE HG2 H 0.385 0.05 1 1215 128 128 ILE HD1 H 0.507 0.05 1 1216 128 128 ILE C C 175.258 0.10 1 1217 128 128 ILE CA C 58.513 0.15 1 1218 128 128 ILE CB C 37.855 0.15 1 1219 128 128 ILE CG1 C 26.999 0.20 1 1220 128 128 ILE CG2 C 17.330 0.20 1 1221 128 128 ILE CD1 C 12.129 0.20 1 1222 128 128 ILE N N 121.883 0.05 1 1223 129 129 LYS H H 8.721 0.01 1 1224 129 129 LYS HA H 4.297 0.05 1 1225 129 129 LYS HB2 H 1.885 0.05 2 1226 129 129 LYS HB3 H 1.467 0.05 2 1227 129 129 LYS HG2 H 1.407 0.05 1 1228 129 129 LYS HG3 H 1.407 0.05 1 1229 129 129 LYS HD2 H 1.573 0.05 1 1230 129 129 LYS HD3 H 1.573 0.05 1 1231 129 129 LYS HE2 H 2.927 0.05 1 1232 129 129 LYS HE3 H 2.927 0.05 1 1233 129 129 LYS C C 177.515 0.10 1 1234 129 129 LYS CA C 55.528 0.15 1 1235 129 129 LYS CB C 32.890 0.15 1 1236 129 129 LYS CG C 24.903 0.20 1 1237 129 129 LYS CD C 28.744 0.20 1 1238 129 129 LYS CE C 42.012 0.20 1 1239 129 129 LYS N N 127.022 0.05 1 1240 130 130 GLU H H 8.837 0.01 1 1241 130 130 GLU HA H 3.686 0.05 1 1242 130 130 GLU HB2 H 2.129 0.05 1 1243 130 130 GLU HB3 H 2.129 0.05 1 1244 130 130 GLU HG2 H 2.254 0.05 1 1245 130 130 GLU HG3 H 2.254 0.05 1 1246 130 130 GLU C C 178.498 0.10 1 1247 130 130 GLU CA C 59.539 0.15 1 1248 130 130 GLU CB C 29.414 0.15 1 1249 130 130 GLU CG C 36.165 0.20 1 1250 130 130 GLU N N 125.082 0.05 1 1251 131 131 GLU H H 9.194 0.01 1 1252 131 131 GLU HA H 3.962 0.05 1 1253 131 131 GLU HB2 H 1.914 0.05 1 1254 131 131 GLU HB3 H 1.914 0.05 1 1255 131 131 GLU HG2 H 2.123 0.05 1 1256 131 131 GLU HG3 H 2.123 0.05 1 1257 131 131 GLU C C 178.607 0.10 1 1258 131 131 GLU CA C 59.462 0.15 1 1259 131 131 GLU CB C 28.997 0.15 1 1260 131 131 GLU CG C 35.875 0.20 1 1261 131 131 GLU N N 117.256 0.05 1 1262 132 132 HIS H H 7.466 0.01 1 1263 132 132 HIS HA H 4.456 0.05 1 1264 132 132 HIS HB2 H 3.180 0.05 1 1265 132 132 HIS HB3 H 3.180 0.05 1 1266 132 132 HIS C C 178.352 0.10 1 1267 132 132 HIS CA C 58.752 0.15 1 1268 132 132 HIS CB C 31.472 0.15 1 1269 132 132 HIS N N 119.531 0.05 1 1270 133 133 VAL H H 7.162 0.01 1 1271 133 133 VAL HA H 3.652 0.05 1 1272 133 133 VAL HB H 1.849 0.05 1 1273 133 133 VAL HG1 H 0.123 0.05 2 1274 133 133 VAL HG2 H 0.288 0.05 2 1275 133 133 VAL C C 179.036 0.10 1 1276 133 133 VAL CA C 64.765 0.15 1 1277 133 133 VAL CB C 31.652 0.15 1 1278 133 133 VAL CG1 C 20.489 0.20 2 1279 133 133 VAL CG2 C 20.438 0.20 2 1280 133 133 VAL N N 119.984 0.05 1 1281 134 134 LYS H H 8.161 0.01 1 1282 134 134 LYS HA H 3.927 0.05 1 1283 134 134 LYS HB2 H 2.013 0.05 1 1284 134 134 LYS HB3 H 2.013 0.05 1 1285 134 134 LYS HG2 H 1.397 0.05 1 1286 134 134 LYS HG3 H 1.397 0.05 1 1287 134 134 LYS HD2 H 1.654 0.05 1 1288 134 134 LYS HD3 H 1.654 0.05 1 1289 134 134 LYS HE2 H 2.951 0.05 1 1290 134 134 LYS HE3 H 2.951 0.05 1 1291 134 134 LYS C C 178.721 0.10 1 1292 134 134 LYS CA C 59.780 0.15 1 1293 134 134 LYS CB C 32.493 0.15 1 1294 134 134 LYS CG C 25.041 0.20 1 1295 134 134 LYS CD C 29.107 0.20 1 1296 134 134 LYS CE C 41.963 0.20 1 1297 134 134 LYS N N 121.104 0.05 1 1298 135 135 ALA H H 7.986 0.01 1 1299 135 135 ALA HA H 4.273 0.05 1 1300 135 135 ALA HB H 1.497 0.05 1 1301 135 135 ALA C C 180.900 0.10 1 1302 135 135 ALA CA C 55.054 0.15 1 1303 135 135 ALA CB C 18.002 0.15 1 1304 135 135 ALA N N 121.335 0.05 1 1305 136 136 GLY H H 7.982 0.01 1 1306 136 136 GLY HA2 H 3.939 0.05 1 1307 136 136 GLY HA3 H 3.939 0.05 1 1308 136 136 GLY C C 176.917 0.10 1 1309 136 136 GLY CA C 47.205 0.15 1 1310 136 136 GLY N N 106.069 0.05 1 1311 137 137 LYS H H 7.990 0.01 1 1312 137 137 LYS HA H 4.332 0.05 1 1313 137 137 LYS HB2 H 2.068 0.05 1 1314 137 137 LYS HB3 H 2.068 0.05 1 1315 137 137 LYS HG2 H 1.497 0.05 1 1316 137 137 LYS HG3 H 1.497 0.05 1 1317 137 137 LYS HD2 H 1.712 0.05 1 1318 137 137 LYS HD3 H 1.712 0.05 1 1319 137 137 LYS HE2 H 2.921 0.05 1 1320 137 137 LYS HE3 H 2.921 0.05 1 1321 137 137 LYS C C 178.881 0.10 1 1322 137 137 LYS CA C 59.635 0.15 1 1323 137 137 LYS CB C 32.839 0.15 1 1324 137 137 LYS CG C 25.392 0.20 1 1325 137 137 LYS CD C 29.816 0.20 1 1326 137 137 LYS CE C 41.789 0.20 1 1327 137 137 LYS N N 124.229 0.05 1 1328 138 138 GLU H H 8.238 0.01 1 1329 138 138 GLU HA H 4.110 0.05 1 1330 138 138 GLU HB2 H 2.135 0.05 1 1331 138 138 GLU HB3 H 2.135 0.05 1 1332 138 138 GLU HG2 H 2.347 0.05 1 1333 138 138 GLU HG3 H 2.347 0.05 1 1334 138 138 GLU C C 178.909 0.10 1 1335 138 138 GLU CA C 59.230 0.15 1 1336 138 138 GLU CB C 29.483 0.15 1 1337 138 138 GLU CG C 36.131 0.20 1 1338 138 138 GLU N N 120.484 0.05 1 1339 139 139 LYS H H 8.019 0.01 1 1340 139 139 LYS HA H 4.030 0.05 1 1341 139 139 LYS HB2 H 1.843 0.05 1 1342 139 139 LYS HB3 H 1.843 0.05 1 1343 139 139 LYS HG2 H 1.422 0.05 1 1344 139 139 LYS HG3 H 1.422 0.05 1 1345 139 139 LYS HD2 H 1.639 0.05 1 1346 139 139 LYS HD3 H 1.639 0.05 1 1347 139 139 LYS HE2 H 2.830 0.05 1 1348 139 139 LYS HE3 H 2.830 0.05 1 1349 139 139 LYS C C 179.504 0.10 1 1350 139 139 LYS CA C 59.447 0.15 1 1351 139 139 LYS CB C 32.436 0.15 1 1352 139 139 LYS CG C 25.372 0.20 1 1353 139 139 LYS CD C 29.126 0.20 1 1354 139 139 LYS CE C 41.940 0.20 1 1355 139 139 LYS N N 119.208 0.05 1 1356 140 140 ALA H H 7.733 0.01 1 1357 140 140 ALA HA H 4.001 0.05 1 1358 140 140 ALA HB H 1.459 0.05 1 1359 140 140 ALA C C 179.361 0.10 1 1360 140 140 ALA CA C 54.951 0.15 1 1361 140 140 ALA CB C 18.169 0.15 1 1362 140 140 ALA N N 121.805 0.05 1 1363 141 141 SER H H 8.343 0.01 1 1364 141 141 SER HA H 3.833 0.05 1 1365 141 141 SER HB2 H 3.874 0.05 1 1366 141 141 SER HB3 H 3.874 0.05 1 1367 141 141 SER C C 177.259 0.10 1 1368 141 141 SER CA C 60.949 0.15 1 1369 141 141 SER CB C 62.956 0.15 1 1370 141 141 SER N N 113.415 0.05 1 1371 142 142 ASN H H 8.270 0.01 1 1372 142 142 ASN HA H 4.432 0.05 1 1373 142 142 ASN HB2 H 2.850 0.05 1 1374 142 142 ASN HB3 H 2.850 0.05 1 1375 142 142 ASN HD21 H 7.028 0.05 2 1376 142 142 ASN HD22 H 7.648 0.05 2 1377 142 142 ASN C C 177.469 0.10 1 1378 142 142 ASN CA C 56.190 0.15 1 1379 142 142 ASN CB C 38.446 0.15 1 1380 142 142 ASN CG C 175.889 0.20 1 1381 142 142 ASN N N 118.885 0.05 1 1382 142 142 ASN ND2 N 112.571 0.05 1 1383 143 143 LEU H H 7.703 0.01 1 1384 143 143 LEU HA H 4.072 0.05 1 1385 143 143 LEU HB2 H 1.572 0.05 1 1386 143 143 LEU HB3 H 1.572 0.05 1 1387 143 143 LEU HG H 1.572 0.05 1 1388 143 143 LEU HD1 H 0.830 0.05 1 1389 143 143 LEU HD2 H 0.830 0.05 1 1390 143 143 LEU C C 178.611 0.10 1 1391 143 143 LEU CA C 57.992 0.15 1 1392 143 143 LEU CB C 40.758 0.15 1 1393 143 143 LEU CG C 25.085 0.20 1 1394 143 143 LEU CD1 C 23.742 0.20 1 1395 143 143 LEU CD2 C 23.742 0.20 1 1396 143 143 LEU N N 121.073 0.05 1 1397 144 144 PHE H H 8.041 0.01 1 1398 144 144 PHE HA H 3.969 0.05 1 1399 144 144 PHE HB2 H 2.837 0.05 1 1400 144 144 PHE HB3 H 2.837 0.05 1 1401 144 144 PHE C C 178.286 0.10 1 1402 144 144 PHE CA C 62.250 0.15 1 1403 144 144 PHE CB C 37.735 0.15 1 1404 144 144 PHE N N 117.268 0.05 1 1405 145 145 LYS H H 8.151 0.01 1 1406 145 145 LYS HA H 4.124 0.05 1 1407 145 145 LYS HB2 H 2.008 0.05 1 1408 145 145 LYS HB3 H 2.008 0.05 1 1409 145 145 LYS HG2 H 1.421 0.05 1 1410 145 145 LYS HG3 H 1.421 0.05 1 1411 145 145 LYS HD2 H 1.680 0.05 1 1412 145 145 LYS HD3 H 1.680 0.05 1 1413 145 145 LYS HE2 H 2.931 0.05 1 1414 145 145 LYS HE3 H 2.931 0.05 1 1415 145 145 LYS C C 179.316 0.10 1 1416 145 145 LYS CA C 59.334 0.15 1 1417 145 145 LYS CB C 31.971 0.15 1 1418 145 145 LYS CG C 25.041 0.20 1 1419 145 145 LYS CD C 29.107 0.20 1 1420 145 145 LYS CE C 41.963 0.20 1 1421 145 145 LYS N N 120.041 0.05 1 1422 146 146 LEU H H 8.009 0.01 1 1423 146 146 LEU HA H 4.182 0.05 1 1424 146 146 LEU HB2 H 1.490 0.05 2 1425 146 146 LEU HB3 H 2.065 0.05 2 1426 146 146 LEU HG H 1.386 0.05 1 1427 146 146 LEU HD1 H 0.936 0.05 2 1428 146 146 LEU HD2 H 0.929 0.05 2 1429 146 146 LEU C C 180.569 0.10 1 1430 146 146 LEU CA C 58.492 0.15 1 1431 146 146 LEU CB C 42.441 0.15 1 1432 146 146 LEU CG C 25.752 0.20 1 1433 146 146 LEU CD1 C 23.381 0.20 2 1434 146 146 LEU CD2 C 24.919 0.20 2 1435 146 146 LEU N N 121.131 0.05 1 1436 147 147 ILE H H 8.224 0.01 1 1437 147 147 ILE HA H 3.548 0.05 1 1438 147 147 ILE HB H 1.904 0.05 1 1439 147 147 ILE HG12 H 1.729 0.05 1 1440 147 147 ILE HG13 H 1.729 0.05 1 1441 147 147 ILE HG2 H 0.782 0.05 1 1442 147 147 ILE HD1 H 0.690 0.05 1 1443 147 147 ILE C C 177.160 0.10 1 1444 147 147 ILE CA C 65.454 0.15 1 1445 147 147 ILE CB C 37.914 0.15 1 1446 147 147 ILE CG1 C 29.303 0.20 1 1447 147 147 ILE CG2 C 17.351 0.20 1 1448 147 147 ILE CD1 C 13.089 0.20 1 1449 147 147 ILE N N 120.996 0.05 1 1450 148 148 GLU H H 8.722 0.01 1 1451 148 148 GLU HA H 3.728 0.05 1 1452 148 148 GLU HB2 H 2.157 0.05 1 1453 148 148 GLU HB3 H 2.157 0.05 1 1454 148 148 GLU HG2 H 2.157 0.05 1 1455 148 148 GLU HG3 H 2.157 0.05 1 1456 148 148 GLU C C 178.131 0.10 1 1457 148 148 GLU CA C 60.487 0.15 1 1458 148 148 GLU CB C 30.314 0.15 1 1459 148 148 GLU CG C 36.770 0.20 1 1460 148 148 GLU N N 121.866 0.05 1 1461 149 149 THR H H 8.499 0.01 1 1462 149 149 THR HA H 3.870 0.05 1 1463 149 149 THR HG2 H 1.318 0.05 1 1464 149 149 THR C C 177.205 0.10 1 1465 149 149 THR CA C 66.854 0.15 1 1466 149 149 THR CB C 68.721 0.15 1 1467 149 149 THR CG2 C 21.779 0.20 1 1468 149 149 THR N N 115.307 0.05 1 1469 150 150 TYR H H 8.021 0.01 1 1470 150 150 TYR HA H 4.356 0.05 1 1471 150 150 TYR HB2 H 3.195 0.05 1 1472 150 150 TYR HB3 H 3.195 0.05 1 1473 150 150 TYR C C 178.858 0.10 1 1474 150 150 TYR CA C 62.436 0.15 1 1475 150 150 TYR CB C 38.413 0.15 1 1476 150 150 TYR N N 123.499 0.05 1 1477 151 151 LEU H H 8.877 0.01 1 1478 151 151 LEU HA H 4.012 0.05 1 1479 151 151 LEU HB2 H 2.030 0.05 2 1480 151 151 LEU HB3 H 1.395 0.05 2 1481 151 151 LEU HG H 1.395 0.05 1 1482 151 151 LEU HD1 H 1.033 0.05 1 1483 151 151 LEU HD2 H 1.033 0.05 1 1484 151 151 LEU C C 180.337 0.10 1 1485 151 151 LEU CA C 57.902 0.15 1 1486 151 151 LEU CB C 41.090 0.15 1 1487 151 151 LEU CG C 27.466 0.20 1 1488 151 151 LEU CD1 C 22.964 0.20 1 1489 151 151 LEU CD2 C 22.964 0.20 1 1490 151 151 LEU N N 120.518 0.05 1 1491 152 152 LYS H H 8.618 0.01 1 1492 152 152 LYS HA H 4.088 0.05 1 1493 152 152 LYS HB2 H 1.865 0.05 1 1494 152 152 LYS HB3 H 1.865 0.05 1 1495 152 152 LYS HG2 H 1.413 0.05 1 1496 152 152 LYS HG3 H 1.413 0.05 1 1497 152 152 LYS HD2 H 1.644 0.05 1 1498 152 152 LYS HD3 H 1.644 0.05 1 1499 152 152 LYS HE2 H 2.919 0.05 1 1500 152 152 LYS HE3 H 2.919 0.05 1 1501 152 152 LYS C C 178.527 0.10 1 1502 152 152 LYS CA C 59.197 0.15 1 1503 152 152 LYS CB C 32.285 0.15 1 1504 152 152 LYS CG C 25.670 0.20 1 1505 152 152 LYS CD C 29.278 0.20 1 1506 152 152 LYS CE C 41.582 0.20 1 1507 152 152 LYS N N 119.878 0.05 1 1508 153 153 GLY H H 7.562 0.01 1 1509 153 153 GLY HA2 H 4.052 0.05 2 1510 153 153 GLY HA3 H 3.652 0.05 2 1511 153 153 GLY C C 173.023 0.10 1 1512 153 153 GLY CA C 44.962 0.15 1 1513 153 153 GLY N N 103.620 0.05 1 1514 154 154 HIS H H 7.217 0.01 1 1515 154 154 HIS HA H 4.859 0.05 1 1516 154 154 HIS HB2 H 2.960 0.05 2 1517 154 154 HIS HB3 H 2.497 0.05 2 1518 154 154 HIS C C 172.612 0.10 1 1519 154 154 HIS CA C 54.145 0.15 1 1520 154 154 HIS CB C 28.031 0.15 1 1521 154 154 HIS N N 117.412 0.05 1 1522 155 155 PRO HA H 4.394 0.05 1 1523 155 155 PRO HB2 H 2.026 0.05 2 1524 155 155 PRO HB3 H 2.381 0.05 2 1525 155 155 PRO HG2 H 1.950 0.05 1 1526 155 155 PRO HG3 H 1.950 0.05 1 1527 155 155 PRO HD2 H 3.265 0.05 2 1528 155 155 PRO HD3 H 3.588 0.05 2 1529 155 155 PRO C C 176.207 0.10 1 1530 155 155 PRO CA C 64.686 0.15 1 1531 155 155 PRO CB C 32.102 0.15 1 1532 155 155 PRO CG C 26.966 0.15 1 1533 155 155 PRO CD C 50.397 0.15 1 1534 156 156 ASP H H 8.578 0.01 1 1535 156 156 ASP HA H 4.566 0.05 1 1536 156 156 ASP HB2 H 2.646 0.05 1 1537 156 156 ASP HB3 H 2.646 0.05 1 1538 156 156 ASP C C 176.353 0.10 1 1539 156 156 ASP CA C 54.000 0.15 1 1540 156 156 ASP CB C 40.585 0.15 1 1541 156 156 ASP N N 114.467 0.05 1 1542 157 157 ALA H H 7.775 0.01 1 1543 157 157 ALA HA H 4.202 0.05 1 1544 157 157 ALA HB H 1.423 0.05 1 1545 157 157 ALA C C 177.710 0.10 1 1546 157 157 ALA CA C 52.521 0.15 1 1547 157 157 ALA CB C 19.791 0.15 1 1548 157 157 ALA N N 124.265 0.05 1 1549 158 158 TYR H H 8.742 0.01 1 1550 158 158 TYR HA H 4.094 0.05 1 1551 158 158 TYR HB2 H 3.360 0.05 2 1552 158 158 TYR HB3 H 3.044 0.05 2 1553 158 158 TYR C C 173.484 0.10 1 1554 158 158 TYR CA C 60.102 0.15 1 1555 158 158 TYR CB C 35.125 0.15 1 1556 158 158 TYR N N 117.809 0.05 1 1557 159 159 ASN H H 7.701 0.01 1 1558 159 159 ASN HA H 4.676 0.05 1 1559 159 159 ASN HB2 H 2.824 0.05 2 1560 159 159 ASN HB3 H 2.536 0.05 2 1561 159 159 ASN HD21 H 6.874 0.05 2 1562 159 159 ASN HD22 H 7.261 0.05 2 1563 159 159 ASN C C 180.313 0.10 1 1564 159 159 ASN CA C 54.441 0.15 1 1565 159 159 ASN CB C 40.683 0.15 1 1566 159 159 ASN CG C 177.998 0.20 1 1567 159 159 ASN N N 121.485 0.05 1 1568 159 159 ASN ND2 N 112.188 0.05 1 stop_ save_