data_25968 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR resonance assignments of the apple allergen Mal d 1.0101 ; _BMRB_accession_number 25968 _BMRB_flat_file_name bmr25968.str _Entry_type original _Submission_date 2016-02-01 _Accession_date 2016-02-01 _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 Ahammer Linda . . 2 Tollinger Martin . . 3 Grutsch Sarina . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 770 "13C chemical shifts" 614 "15N chemical shifts" 152 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-13 update BMRB 'update entry citation' 2016-07-21 original author 'original release' stop_ _Original_release_date 2016-07-21 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR resonance assignments of the major apple allergen Mal d 1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27165578 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ahammer Linda . . 2 Grutsch Sarina . . 3 Tollinger Martin . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 10 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 287 _Page_last 290 _Year 2016 _Details . loop_ _Keyword 'Mal d 1' allergen apple stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Mal d 1.0101' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Mal d 1.0101' $Mal_d_1.0101 stop_ _System_molecular_weight 17519.7 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Mal_d_1.0101 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Mal_d_1.0101 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 158 _Mol_residue_sequence ; GVYTFENEFTSEIPPSRLFK AFVLDADNLIPKIAPQAIKQ AEILEGNGGPGTIKKITFGE GSQYGYVKHRIDSIDEASYS YSYTLIEGDALTDTIEKISY ETKLVACGSGSTIKSISHYH TKGNIEIKEEHVKVGKEKAH GLFKLIESYLKDHPDAYN ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 VAL 3 TYR 4 THR 5 PHE 6 GLU 7 ASN 8 GLU 9 PHE 10 THR 11 SER 12 GLU 13 ILE 14 PRO 15 PRO 16 SER 17 ARG 18 LEU 19 PHE 20 LYS 21 ALA 22 PHE 23 VAL 24 LEU 25 ASP 26 ALA 27 ASP 28 ASN 29 LEU 30 ILE 31 PRO 32 LYS 33 ILE 34 ALA 35 PRO 36 GLN 37 ALA 38 ILE 39 LYS 40 GLN 41 ALA 42 GLU 43 ILE 44 LEU 45 GLU 46 GLY 47 ASN 48 GLY 49 GLY 50 PRO 51 GLY 52 THR 53 ILE 54 LYS 55 LYS 56 ILE 57 THR 58 PHE 59 GLY 60 GLU 61 GLY 62 SER 63 GLN 64 TYR 65 GLY 66 TYR 67 VAL 68 LYS 69 HIS 70 ARG 71 ILE 72 ASP 73 SER 74 ILE 75 ASP 76 GLU 77 ALA 78 SER 79 TYR 80 SER 81 TYR 82 SER 83 TYR 84 THR 85 LEU 86 ILE 87 GLU 88 GLY 89 ASP 90 ALA 91 LEU 92 THR 93 ASP 94 THR 95 ILE 96 GLU 97 LYS 98 ILE 99 SER 100 TYR 101 GLU 102 THR 103 LYS 104 LEU 105 VAL 106 ALA 107 CYS 108 GLY 109 SER 110 GLY 111 SER 112 THR 113 ILE 114 LYS 115 SER 116 ILE 117 SER 118 HIS 119 TYR 120 HIS 121 THR 122 LYS 123 GLY 124 ASN 125 ILE 126 GLU 127 ILE 128 LYS 129 GLU 130 GLU 131 HIS 132 VAL 133 LYS 134 VAL 135 GLY 136 LYS 137 GLU 138 LYS 139 ALA 140 HIS 141 GLY 142 LEU 143 PHE 144 LYS 145 LEU 146 ILE 147 GLU 148 SER 149 TYR 150 LEU 151 LYS 152 ASP 153 HIS 154 PRO 155 ASP 156 ALA 157 TYR 158 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 $Mal_d_1.0101 apple 3750 Eukaryota Viridiplantae Malus domestica 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 $Mal_d_1.0101 'recombinant technology' . 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Mal_d_1.0101 0.65 mM 0.5 0.8 '[U-99% 13C; U-99% 15N]' 'L-ascorbic acid' 9.1 mM 7.0 11.2 'natural abundance' 'sodium phosphate' 10 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 Varian _Model DD2 _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance II+' _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_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_(H)CC(CO)NH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CC(CO)NH-TOCSY' _Sample_label $sample_1 save_ save_3D_H(CCCO)NH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCCO)NH-TOCSY' _Sample_label $sample_1 save_ save_3D_C,C-methylNOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C,C-methylNOESY' _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 . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRPipe stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D (H)CC(CO)NH-TOCSY' '3D H(CCCO)NH-TOCSY' '3D C,C-methylNOESY' 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 'Mal d 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 3.95675 0.05 1 2 1 1 GLY HA3 H 4.09207 0.05 1 3 1 1 GLY C C 172.50282 0.1 1 4 1 1 GLY CA C 45.16816 0.15 1 5 2 2 VAL H H 7.81414 0.01 1 6 2 2 VAL HA H 4.87463 0.05 1 7 2 2 VAL HB H 1.62658 0.05 1 8 2 2 VAL HG1 H 0.46897 0.01 2 9 2 2 VAL HG2 H 0.46897 0.01 2 10 2 2 VAL C C 175.19854 0.1 1 11 2 2 VAL CA C 60.94555 0.15 1 12 2 2 VAL CB C 33.61428 0.15 1 13 2 2 VAL CG1 C 21.06286 0.2 2 14 2 2 VAL CG2 C 21.06286 0.2 2 15 2 2 VAL N N 120.84893 0.05 1 16 3 3 TYR H H 8.87306 0.01 1 17 3 3 TYR HA H 4.61487 0.05 1 18 3 3 TYR HB2 H 3.02688 0.05 1 19 3 3 TYR HB3 H 2.73887 0.05 1 20 3 3 TYR C C 174.40954 0.1 1 21 3 3 TYR CA C 57.33174 0.15 1 22 3 3 TYR CB C 41.38498 0.15 1 23 3 3 TYR N N 127.75462 0.05 1 24 4 4 THR H H 8.45303 0.01 1 25 4 4 THR HA H 5.42922 0.05 1 26 4 4 THR HB H 3.70468 0.05 1 27 4 4 THR HG2 H 1.05162 0.01 1 28 4 4 THR C C 173.2148 0.1 1 29 4 4 THR CA C 62.16282 0.15 1 30 4 4 THR CB C 70.92925 0.15 1 31 4 4 THR CG2 C 22.39349 0.2 1 32 4 4 THR N N 122.92719 0.05 1 33 5 5 PHE H H 9.00186 0.01 1 34 5 5 PHE HA H 4.8062 0.05 1 35 5 5 PHE HB2 H 3.2507 0.05 1 36 5 5 PHE HB3 H 2.79873 0.05 1 37 5 5 PHE C C 173.97962 0.1 1 38 5 5 PHE CA C 56.90212 0.15 1 39 5 5 PHE CB C 42.459 0.15 1 40 5 5 PHE N N 125.35259 0.05 1 41 6 6 GLU H H 8.98165 0.01 1 42 6 6 GLU HA H 5.25546 0.05 1 43 6 6 GLU HB2 H 1.98559 0.05 2 44 6 6 GLU HB3 H 1.98559 0.05 2 45 6 6 GLU HG2 H 2.10557 0.05 2 46 6 6 GLU HG3 H 2.10557 0.05 2 47 6 6 GLU C C 175.09214 0.1 1 48 6 6 GLU CA C 55.10405 0.15 1 49 6 6 GLU CB C 33.43254 0.15 1 50 6 6 GLU CG C 36.66003 0.2 1 51 6 6 GLU N N 122.05319 0.05 1 52 7 7 ASN H H 8.8512 0.01 1 53 7 7 ASN HA H 5.099 0.05 1 54 7 7 ASN HB2 H 2.75071 0.05 2 55 7 7 ASN HB3 H 2.75071 0.05 2 56 7 7 ASN HD21 H 7.07002 0.05 1 57 7 7 ASN HD22 H 7.94709 0.05 1 58 7 7 ASN C C 172.59959 0.1 1 59 7 7 ASN CA C 52.84749 0.15 1 60 7 7 ASN CB C 42.8781 0.15 1 61 7 7 ASN CG C 176.36314 0.2 1 62 7 7 ASN N N 120.38012 0.05 1 63 7 7 ASN ND2 N 114.00768 0.05 1 64 8 8 GLU H H 8.50103 0.01 1 65 8 8 GLU HA H 5.54612 0.05 1 66 8 8 GLU HB2 H 1.88817 0.05 2 67 8 8 GLU HB3 H 1.88817 0.05 2 68 8 8 GLU HG2 H 2.07091 0.05 2 69 8 8 GLU HG3 H 2.07091 0.05 2 70 8 8 GLU C C 174.66388 0.1 1 71 8 8 GLU CA C 54.95925 0.15 1 72 8 8 GLU CB C 33.92132 0.15 1 73 8 8 GLU CG C 36.85836 0.2 1 74 8 8 GLU N N 121.52735 0.05 1 75 9 9 PHE H H 8.49926 0.01 1 76 9 9 PHE HA H 4.96017 0.05 1 77 9 9 PHE HB2 H 2.80123 0.05 1 78 9 9 PHE HB3 H 3.01188 0.05 1 79 9 9 PHE C C 173.65403 0.1 1 80 9 9 PHE CA C 55.67762 0.15 1 81 9 9 PHE CB C 41.05004 0.15 1 82 9 9 PHE N N 121.19202 0.05 1 83 10 10 THR H H 8.41198 0.01 1 84 10 10 THR HA H 5.05451 0.05 1 85 10 10 THR HB H 4.12327 0.05 1 86 10 10 THR HG2 H 1.21083 0.01 1 87 10 10 THR C C 173.40384 0.1 1 88 10 10 THR CA C 61.3819 0.15 1 89 10 10 THR CB C 71.20865 0.15 1 90 10 10 THR CG2 C 22.00294 0.2 1 91 10 10 THR N N 115.16127 0.05 1 92 11 11 SER H H 8.94805 0.01 1 93 11 11 SER HA H 5.01836 0.05 1 94 11 11 SER HB2 H 3.47464 0.05 2 95 11 11 SER HB3 H 3.47464 0.05 2 96 11 11 SER C C 175.32181 0.1 1 97 11 11 SER CA C 56.04015 0.15 1 98 11 11 SER CB C 66.25722 0.15 1 99 11 11 SER N N 115.58675 0.05 1 100 12 12 GLU H H 9.11847 0.01 1 101 12 12 GLU HA H 4.40348 0.05 1 102 12 12 GLU HB2 H 1.92653 0.05 2 103 12 12 GLU HB3 H 1.92653 0.05 2 104 12 12 GLU HG2 H 2.28774 0.05 2 105 12 12 GLU HG3 H 2.28774 0.05 2 106 12 12 GLU C C 175.58877 0.1 1 107 12 12 GLU CA C 57.31128 0.15 1 108 12 12 GLU CB C 30.88228 0.15 1 109 12 12 GLU CG C 36.77371 0.2 1 110 12 12 GLU N N 126.65434 0.05 1 111 13 13 ILE H H 8.59903 0.01 1 112 13 13 ILE HA H 4.55565 0.05 1 113 13 13 ILE CA C 56.32704 0.15 1 114 13 13 ILE CB C 36.95154 0.15 1 115 13 13 ILE N N 122.48415 0.05 1 116 15 15 PRO HD2 H 3.85771 0.05 2 117 15 15 PRO HD3 H 3.85771 0.05 2 118 15 15 PRO C C 177.50901 0.1 1 119 15 15 PRO CA C 65.933 0.15 1 120 15 15 PRO CB C 31.53433 0.15 1 121 15 15 PRO CG C 27.13608 0.2 1 122 16 16 SER H H 8.09776 0.01 1 123 16 16 SER HA H 5.82764 0.05 1 124 16 16 SER HB2 H 4.03239 0.05 2 125 16 16 SER HB3 H 4.03239 0.05 2 126 16 16 SER C C 176.72145 0.1 1 127 16 16 SER CA C 61.40391 0.15 1 128 16 16 SER N N 110.91244 0.05 1 129 17 17 ARG H H 6.71326 0.01 1 130 17 17 ARG HA H 4.38641 0.05 1 131 17 17 ARG HB2 H 1.77568 0.05 2 132 17 17 ARG HB3 H 1.77568 0.05 2 133 17 17 ARG C C 177.57585 0.1 1 134 17 17 ARG CA C 58.98887 0.15 1 135 17 17 ARG CB C 31.3544 0.15 1 136 17 17 ARG CG C 28.396 0.2 1 137 17 17 ARG CD C 44.37731 0.2 1 138 17 17 ARG N N 119.61224 0.05 1 139 18 18 LEU H H 7.52578 0.01 1 140 18 18 LEU HA H 3.81817 0.05 1 141 18 18 LEU HB2 H 1.56555 0.05 1 142 18 18 LEU HB3 H 1.56555 0.05 1 143 18 18 LEU HG H 1.38139 0.05 1 144 18 18 LEU HD1 H 0.78276 0.01 1 145 18 18 LEU HD2 H 0.83553 0.01 1 146 18 18 LEU C C 178.36141 0.1 1 147 18 18 LEU CA C 57.66871 0.15 1 148 18 18 LEU CB C 43.00535 0.15 1 149 18 18 LEU CG C 26.79976 0.2 1 150 18 18 LEU CD1 C 24.08419 0.2 1 151 18 18 LEU CD2 C 24.6814 0.2 1 152 18 18 LEU N N 116.63109 0.05 1 153 19 19 PHE H H 9.17612 0.01 1 154 19 19 PHE HA H 3.82074 0.05 1 155 19 19 PHE HB2 H 3.22439 0.05 2 156 19 19 PHE HB3 H 3.22439 0.05 2 157 19 19 PHE C C 177.92053 0.1 1 158 19 19 PHE CA C 62.6366 0.15 1 159 19 19 PHE CB C 40.06257 0.15 1 160 19 19 PHE N N 119.13139 0.05 1 161 20 20 LYS H H 7.6066 0.01 1 162 20 20 LYS HA H 3.79944 0.05 1 163 20 20 LYS HB2 H 2.00827 0.05 2 164 20 20 LYS HB3 H 2.00827 0.05 2 165 20 20 LYS HG2 H 1.59417 0.05 2 166 20 20 LYS HG3 H 1.59417 0.05 2 167 20 20 LYS HD2 H 1.81915 0.05 2 168 20 20 LYS HD3 H 1.81915 0.05 2 169 20 20 LYS HE2 H 3.06691 0.05 2 170 20 20 LYS HE3 H 3.06691 0.05 2 171 20 20 LYS C C 176.53862 0.1 1 172 20 20 LYS CA C 60.33705 0.15 1 173 20 20 LYS CB C 33.46098 0.15 1 174 20 20 LYS CG C 26.69077 0.2 1 175 20 20 LYS CD C 30.00026 0.2 1 176 20 20 LYS CE C 42.31466 0.2 1 177 20 20 LYS N N 117.23482 0.05 1 178 21 21 ALA H H 7.15201 0.01 1 179 21 21 ALA HA H 3.23211 0.05 1 180 21 21 ALA HB H 0.80084 0.01 1 181 21 21 ALA C C 175.34545 0.1 1 182 21 21 ALA CA C 54.52741 0.15 1 183 21 21 ALA CB C 20.92934 0.15 1 184 21 21 ALA N N 118.38887 0.05 1 185 22 22 PHE H H 8.29657 0.01 1 186 22 22 PHE HA H 4.25438 0.05 1 187 22 22 PHE HB2 H 3.00919 0.05 1 188 22 22 PHE HB3 H 2.88644 0.05 1 189 22 22 PHE C C 173.90922 0.1 1 190 22 22 PHE CA C 57.97777 0.15 1 191 22 22 PHE CB C 40.64665 0.15 1 192 22 22 PHE N N 110.11076 0.05 1 193 23 23 VAL H H 7.0482 0.01 1 194 23 23 VAL HA H 3.23666 0.05 1 195 23 23 VAL HB H 0.95705 0.05 1 196 23 23 VAL HG1 H -0.28563 0.01 1 197 23 23 VAL HG2 H 0.17903 0.01 1 198 23 23 VAL C C 177.6338 0.1 1 199 23 23 VAL CA C 63.86324 0.15 1 200 23 23 VAL CB C 30.70234 0.15 1 201 23 23 VAL CG1 C 20.42042 0.2 1 202 23 23 VAL CG2 C 20.99325 0.2 1 203 23 23 VAL N N 114.22724 0.05 1 204 24 24 LEU H H 7.20031 0.01 1 205 24 24 LEU HA H 3.90414 0.05 1 206 24 24 LEU HB2 H 1.60453 0.05 2 207 24 24 LEU HB3 H 1.60453 0.05 2 208 24 24 LEU HG H 1.60341 0.05 1 209 24 24 LEU C C 178.61927 0.1 1 210 24 24 LEU CA C 57.55371 0.15 1 211 24 24 LEU CB C 40.88574 0.15 1 212 24 24 LEU CG C 26.17013 0.2 1 213 24 24 LEU CD1 C 22.3802 0.2 1 214 24 24 LEU CD2 C 26.07984 0.2 1 215 24 24 LEU N N 115.44965 0.05 1 216 25 25 ASP H H 7.60669 0.01 1 217 25 25 ASP HA H 4.59334 0.05 1 218 25 25 ASP CA C 53.18394 0.15 1 219 25 25 ASP CB C 43.60043 0.15 1 220 25 25 ASP N N 116.88364 0.05 1 221 26 26 ALA HA H 3.72647 0.05 1 222 26 26 ALA HB H 1.18005 0.01 1 223 26 26 ALA C C 178.70652 0.1 1 224 26 26 ALA CA C 56.40535 0.15 1 225 26 26 ALA CB C 19.36393 0.15 1 226 27 27 ASP H H 8.20019 0.01 1 227 27 27 ASP HA H 3.97821 0.05 1 228 27 27 ASP HB2 H 2.30253 0.05 2 229 27 27 ASP HB3 H 2.30253 0.05 2 230 27 27 ASP C C 175.8083 0.1 1 231 27 27 ASP CA C 56.53459 0.15 1 232 27 27 ASP CB C 39.81198 0.15 1 233 27 27 ASP N N 114.42226 0.05 1 234 28 28 ASN H H 7.29339 0.01 1 235 28 28 ASN HA H 4.6879 0.05 1 236 28 28 ASN HB2 H 2.71721 0.05 2 237 28 28 ASN HB3 H 2.71721 0.05 2 238 28 28 ASN HD21 H 6.97843 0.05 1 239 28 28 ASN HD22 H 8.26778 0.05 1 240 28 28 ASN C C 176.42151 0.1 1 241 28 28 ASN CA C 53.85739 0.15 1 242 28 28 ASN CB C 39.9607 0.15 1 243 28 28 ASN CG C 176.52978 0.2 1 244 28 28 ASN N N 113.04336 0.05 1 245 28 28 ASN ND2 N 116.18869 0.05 1 246 29 29 LEU H H 8.27718 0.01 1 247 29 29 LEU CA C 57.62396 0.15 1 248 29 29 LEU CB C 42.80197 0.15 1 249 29 29 LEU N N 120.65678 0.05 1 250 31 31 PRO HA H 4.50513 0.05 1 251 31 31 PRO HB2 H 2.31597 0.05 2 252 31 31 PRO HB3 H 2.31597 0.05 2 253 31 31 PRO C C 177.59816 0.1 1 254 31 31 PRO CA C 65.43163 0.15 1 255 31 31 PRO CB C 31.10748 0.15 1 256 31 31 PRO CG C 28.17052 0.2 1 257 31 31 PRO CD C 50.50324 0.2 1 258 32 32 LYS H H 6.88202 0.01 1 259 32 32 LYS HA H 4.14958 0.05 1 260 32 32 LYS HB2 H 1.87833 0.05 2 261 32 32 LYS HB3 H 1.87833 0.05 2 262 32 32 LYS HG2 H 1.34723 0.05 2 263 32 32 LYS HG3 H 1.34723 0.05 2 264 32 32 LYS HD2 H 1.59044 0.05 2 265 32 32 LYS HD3 H 1.59044 0.05 2 266 32 32 LYS HE2 H 2.94421 0.05 2 267 32 32 LYS HE3 H 2.94421 0.05 2 268 32 32 LYS C C 178.22003 0.1 1 269 32 32 LYS CA C 58.26845 0.15 1 270 32 32 LYS CB C 33.11557 0.15 1 271 32 32 LYS CG C 25.02025 0.2 1 272 32 32 LYS CD C 29.46136 0.2 1 273 32 32 LYS CE C 41.93045 0.2 1 274 32 32 LYS N N 112.22342 0.05 1 275 33 33 ILE H H 7.51239 0.01 1 276 33 33 ILE HA H 4.3722 0.05 1 277 33 33 ILE HG2 H 0.62094 0.01 1 278 33 33 ILE HD1 H 0.50197 0.01 1 279 33 33 ILE C C 175.88078 0.1 1 280 33 33 ILE CA C 61.77065 0.15 1 281 33 33 ILE CB C 39.63593 0.15 1 282 33 33 ILE CG1 C 26.10908 0.2 1 283 33 33 ILE CG2 C 18.64386 0.2 1 284 33 33 ILE N N 111.6951 0.05 1 285 34 34 ALA H H 8.8849 0.01 1 286 34 34 ALA HA H 4.91513 0.05 1 287 34 34 ALA HB H 1.18402 0.01 1 288 34 34 ALA CA C 50.51575 0.15 1 289 34 34 ALA CB C 19.69519 0.15 1 290 34 34 ALA N N 125.23367 0.05 1 291 35 35 PRO HA H 4.68686 0.05 1 292 35 35 PRO HB2 H 2.49627 0.05 2 293 35 35 PRO HB3 H 2.49627 0.05 2 294 35 35 PRO HG2 H 1.98366 0.05 2 295 35 35 PRO HG3 H 1.98366 0.05 2 296 35 35 PRO C C 177.68754 0.1 1 297 35 35 PRO CA C 64.37929 0.15 1 298 35 35 PRO CB C 31.70534 0.15 1 299 35 35 PRO CG C 27.41052 0.2 1 300 35 35 PRO CD C 50.32236 0.2 1 301 36 36 GLN H H 8.69577 0.01 1 302 36 36 GLN HA H 4.21667 0.05 1 303 36 36 GLN HB2 H 2.06333 0.05 2 304 36 36 GLN HB3 H 2.06333 0.05 2 305 36 36 GLN HG2 H 2.47476 0.05 1 306 36 36 GLN HG3 H 2.31649 0.05 1 307 36 36 GLN HE21 H 7.00096 0.05 1 308 36 36 GLN HE22 H 7.61693 0.05 1 309 36 36 GLN C C 176.19177 0.1 1 310 36 36 GLN CA C 57.19995 0.15 1 311 36 36 GLN CB C 27.49351 0.15 1 312 36 36 GLN CG C 33.64613 0.2 1 313 36 36 GLN CD C 180.99304 0.2 1 314 36 36 GLN N N 115.86469 0.05 1 315 36 36 GLN NE2 N 111.83609 0.05 1 316 37 37 ALA H H 8.06169 0.01 1 317 37 37 ALA HA H 4.38816 0.05 1 318 37 37 ALA HB H 1.40473 0.01 1 319 37 37 ALA C C 177.65605 0.1 1 320 37 37 ALA CA C 53.73213 0.15 1 321 37 37 ALA CB C 19.89311 0.15 1 322 37 37 ALA N N 123.4589 0.05 1 323 38 38 ILE H H 7.46907 0.01 1 324 38 38 ILE HA H 4.16275 0.05 1 325 38 38 ILE HB H 2.03633 0.05 1 326 38 38 ILE HG12 H 1.49545 0.05 2 327 38 38 ILE HG13 H 1.49545 0.05 2 328 38 38 ILE HG2 H 0.68593 0.01 1 329 38 38 ILE HD1 H 0.73691 0.01 1 330 38 38 ILE C C 172.87823 0.1 1 331 38 38 ILE CA C 61.40324 0.15 1 332 38 38 ILE CB C 41.71647 0.15 1 333 38 38 ILE CG1 C 27.37464 0.2 1 334 38 38 ILE CG2 C 17.39463 0.2 1 335 38 38 ILE CD1 C 13.94818 0.2 1 336 38 38 ILE N N 116.36317 0.05 1 337 39 39 LYS H H 8.6813 0.01 1 338 39 39 LYS HA H 4.42409 0.05 1 339 39 39 LYS HB2 H 1.73526 0.05 2 340 39 39 LYS HB3 H 1.73526 0.05 2 341 39 39 LYS HG2 H 1.39897 0.05 2 342 39 39 LYS HG3 H 1.39897 0.05 2 343 39 39 LYS HD2 H 1.60838 0.05 2 344 39 39 LYS HD3 H 1.60838 0.05 2 345 39 39 LYS HE2 H 2.97098 0.05 2 346 39 39 LYS HE3 H 2.97098 0.05 2 347 39 39 LYS C C 177.01144 0.1 1 348 39 39 LYS CA C 57.28881 0.15 1 349 39 39 LYS CB C 34.06481 0.15 1 350 39 39 LYS CG C 24.91284 0.2 1 351 39 39 LYS CD C 29.3664 0.2 1 352 39 39 LYS CE C 42.14353 0.2 1 353 39 39 LYS N N 125.03071 0.05 1 354 40 40 GLN H H 7.59607 0.01 1 355 40 40 GLN HA H 4.42739 0.05 1 356 40 40 GLN HB2 H 1.98865 0.05 1 357 40 40 GLN HB3 H 2.16955 0.05 1 358 40 40 GLN HG2 H 2.27496 0.05 2 359 40 40 GLN HG3 H 2.27496 0.05 2 360 40 40 GLN HE21 H 6.75803 0.05 1 361 40 40 GLN HE22 H 7.27668 0.05 1 362 40 40 GLN C C 172.08748 0.1 1 363 40 40 GLN CA C 55.33817 0.15 1 364 40 40 GLN CB C 31.89843 0.15 1 365 40 40 GLN CG C 33.59135 0.2 1 366 40 40 GLN CD C 179.89126 0.2 1 367 40 40 GLN N N 114.54683 0.05 1 368 40 40 GLN NE2 N 111.13801 0.05 1 369 41 41 ALA H H 8.73812 0.01 1 370 41 41 ALA HA H 5.16059 0.05 1 371 41 41 ALA HB H 1.15798 0.01 1 372 41 41 ALA C C 175.5579 0.1 1 373 41 41 ALA CA C 51.01989 0.15 1 374 41 41 ALA CB C 22.00435 0.15 1 375 41 41 ALA N N 126.10554 0.05 1 376 42 42 GLU H H 8.71051 0.01 1 377 42 42 GLU HA H 4.65813 0.05 1 378 42 42 GLU HB2 H 1.87654 0.05 2 379 42 42 GLU HB3 H 1.87654 0.05 2 380 42 42 GLU HG2 H 2.04749 0.05 2 381 42 42 GLU HG3 H 2.04749 0.05 2 382 42 42 GLU C C 174.86549 0.1 1 383 42 42 GLU CA C 54.45533 0.15 1 384 42 42 GLU CB C 34.36586 0.15 1 385 42 42 GLU CG C 36.46049 0.2 1 386 42 42 GLU N N 120.81525 0.05 1 387 43 43 ILE H H 9.02812 0.01 1 388 43 43 ILE HA H 4.10714 0.05 1 389 43 43 ILE HB H 1.84105 0.05 1 390 43 43 ILE HG12 H 1.62668 0.05 2 391 43 43 ILE HG13 H 1.62668 0.05 2 392 43 43 ILE HG2 H 0.7351 0.01 1 393 43 43 ILE HD1 H 0.76744 0.01 1 394 43 43 ILE C C 176.20923 0.1 1 395 43 43 ILE CA C 62.01847 0.15 1 396 43 43 ILE CB C 37.58505 0.15 1 397 43 43 ILE CG1 C 28.6429 0.2 1 398 43 43 ILE CG2 C 18.53314 0.2 1 399 43 43 ILE CD1 C 12.3773 0.2 1 400 43 43 ILE N N 125.30089 0.05 1 401 44 44 LEU H H 9.14568 0.01 1 402 44 44 LEU HA H 4.44722 0.05 1 403 44 44 LEU HB2 H 1.62393 0.05 2 404 44 44 LEU HB3 H 1.62393 0.05 2 405 44 44 LEU HG H 1.6239 0.05 1 406 44 44 LEU HD1 H 0.75985 0.01 1 407 44 44 LEU HD2 H 0.8628 0.01 1 408 44 44 LEU C C 177.21283 0.1 1 409 44 44 LEU CA C 55.85714 0.15 1 410 44 44 LEU CB C 42.65244 0.15 1 411 44 44 LEU CG C 26.15805 0.2 1 412 44 44 LEU CD1 C 22.40526 0.2 1 413 44 44 LEU CD2 C 26.1549 0.2 1 414 44 44 LEU N N 128.85999 0.05 1 415 45 45 GLU H H 7.64188 0.01 1 416 45 45 GLU HA H 4.59561 0.05 1 417 45 45 GLU HB2 H 1.96221 0.05 2 418 45 45 GLU HB3 H 1.96221 0.05 2 419 45 45 GLU HG2 H 2.18292 0.05 2 420 45 45 GLU HG3 H 2.18292 0.05 2 421 45 45 GLU C C 174.84077 0.1 1 422 45 45 GLU CA C 55.75892 0.15 1 423 45 45 GLU CB C 33.63197 0.15 1 424 45 45 GLU CG C 36.24182 0.2 1 425 45 45 GLU N N 116.43818 0.05 1 426 46 46 GLY H H 8.5865 0.01 1 427 46 46 GLY HA2 H 4.64635 0.05 1 428 46 46 GLY HA3 H 3.77802 0.05 1 429 46 46 GLY C C 173.54616 0.1 1 430 46 46 GLY CA C 44.53776 0.15 1 431 46 46 GLY N N 109.93097 0.05 1 432 47 47 ASN H H 8.25827 0.01 1 433 47 47 ASN HA H 4.91129 0.05 1 434 47 47 ASN HB2 H 3.1047 0.05 1 435 47 47 ASN HB3 H 2.81465 0.05 1 436 47 47 ASN HD21 H 6.8201 0.05 1 437 47 47 ASN HD22 H 7.59089 0.05 1 438 47 47 ASN C C 176.20033 0.1 1 439 47 47 ASN CA C 52.35004 0.15 1 440 47 47 ASN CB C 39.57774 0.15 1 441 47 47 ASN CG C 177.67686 0.2 1 442 47 47 ASN N N 113.88133 0.05 1 443 47 47 ASN ND2 N 111.34338 0.05 1 444 48 48 GLY H H 8.73414 0.01 1 445 48 48 GLY HA2 H 4.71138 0.05 1 446 48 48 GLY HA3 H 3.46771 0.05 1 447 48 48 GLY C C 174.39098 0.1 1 448 48 48 GLY CA C 45.18923 0.15 1 449 48 48 GLY N N 110.0489 0.05 1 450 49 49 GLY H H 8.05257 0.01 1 451 49 49 GLY HA2 H 4.80695 0.05 1 452 49 49 GLY HA3 H 4.00388 0.05 1 453 49 49 GLY CA C 43.75762 0.15 1 454 49 49 GLY N N 106.09663 0.05 1 455 50 50 PRO HA H 3.99746 0.05 1 456 50 50 PRO HB2 H 2.37694 0.05 2 457 50 50 PRO HB3 H 2.37694 0.05 2 458 50 50 PRO HG2 H 1.97592 0.05 2 459 50 50 PRO HG3 H 1.97592 0.05 2 460 50 50 PRO HD2 H 3.66662 0.05 2 461 50 50 PRO HD3 H 3.66662 0.05 2 462 50 50 PRO C C 176.71894 0.1 1 463 50 50 PRO CA C 64.53031 0.15 1 464 50 50 PRO CB C 31.63956 0.15 1 465 50 50 PRO CG C 29.07162 0.2 1 466 50 50 PRO CD C 50.1546 0.2 1 467 51 51 GLY H H 9.52768 0.01 1 468 51 51 GLY HA2 H 4.51864 0.05 1 469 51 51 GLY HA3 H 3.53531 0.05 1 470 51 51 GLY C C 174.39455 0.1 1 471 51 51 GLY CA C 44.78844 0.15 1 472 51 51 GLY N N 114.48315 0.05 1 473 52 52 THR H H 8.00265 0.01 1 474 52 52 THR HA H 4.62144 0.05 1 475 52 52 THR HB H 4.05346 0.05 1 476 52 52 THR HG2 H 1.28648 0.01 1 477 52 52 THR C C 173.24001 0.1 1 478 52 52 THR CA C 64.52379 0.15 1 479 52 52 THR CB C 69.72724 0.15 1 480 52 52 THR CG2 C 21.13955 0.2 1 481 52 52 THR N N 119.26124 0.05 1 482 53 53 ILE H H 8.56195 0.01 1 483 53 53 ILE HA H 5.27769 0.05 1 484 53 53 ILE HB H 1.79685 0.05 1 485 53 53 ILE HG2 H 0.916 0.01 1 486 53 53 ILE HD1 H 0.85001 0.01 1 487 53 53 ILE C C 175.31377 0.1 1 488 53 53 ILE CA C 59.30453 0.15 1 489 53 53 ILE CB C 39.63737 0.15 1 490 53 53 ILE CG1 C 27.07685 0.2 1 491 53 53 ILE CG2 C 18.00071 0.2 1 492 53 53 ILE CD1 C 12.00013 0.2 1 493 53 53 ILE N N 125.67675 0.05 1 494 54 54 LYS H H 9.4369 0.01 1 495 54 54 LYS HA H 5.31584 0.05 1 496 54 54 LYS HB2 H 1.54047 0.05 2 497 54 54 LYS HB3 H 1.54047 0.05 2 498 54 54 LYS HG2 H 1.28221 0.05 2 499 54 54 LYS HG3 H 1.28221 0.05 2 500 54 54 LYS HD2 H 1.54043 0.05 2 501 54 54 LYS HD3 H 1.54043 0.05 2 502 54 54 LYS C C 174.20646 0.1 1 503 54 54 LYS CA C 53.99569 0.15 1 504 54 54 LYS CB C 36.71772 0.15 1 505 54 54 LYS CG C 25.47877 0.2 1 506 54 54 LYS CD C 29.73235 0.2 1 507 54 54 LYS CE C 41.41615 0.2 1 508 54 54 LYS N N 126.44686 0.05 1 509 55 55 LYS H H 9.29581 0.01 1 510 55 55 LYS HA H 5.17378 0.05 1 511 55 55 LYS HB2 H 1.80369 0.05 2 512 55 55 LYS HB3 H 1.80369 0.05 2 513 55 55 LYS HG2 H 1.14378 0.05 2 514 55 55 LYS HG3 H 1.14378 0.05 2 515 55 55 LYS HD2 H 1.45908 0.05 2 516 55 55 LYS HD3 H 1.45908 0.05 2 517 55 55 LYS C C 175.09594 0.1 1 518 55 55 LYS CA C 54.73164 0.15 1 519 55 55 LYS CB C 36.19996 0.15 1 520 55 55 LYS CG C 25.77811 0.2 1 521 55 55 LYS CD C 29.88061 0.2 1 522 55 55 LYS CE C 41.65702 0.2 1 523 55 55 LYS N N 123.49106 0.05 1 524 56 56 ILE H H 9.23218 0.01 1 525 56 56 ILE HA H 4.60154 0.05 1 526 56 56 ILE HB H 1.58547 0.05 1 527 56 56 ILE HG2 H 0.62103 0.01 1 528 56 56 ILE HD1 H 0.46635 0.01 1 529 56 56 ILE C C 174.5867 0.1 1 530 56 56 ILE CA C 60.16256 0.15 1 531 56 56 ILE CB C 39.17718 0.15 1 532 56 56 ILE CG1 C 27.967 0.2 1 533 56 56 ILE CG2 C 18.82429 0.2 1 534 56 56 ILE CD1 C 12.89956 0.2 1 535 56 56 ILE N N 132.49409 0.05 1 536 57 57 THR H H 8.76265 0.01 1 537 57 57 THR HA H 4.71814 0.05 1 538 57 57 THR HB H 3.98042 0.05 1 539 57 57 THR HG2 H 1.24905 0.01 1 540 57 57 THR C C 174.34199 0.1 1 541 57 57 THR CA C 61.75259 0.15 1 542 57 57 THR CB C 70.05461 0.15 1 543 57 57 THR CG2 C 21.81486 0.2 1 544 57 57 THR N N 121.98069 0.05 1 545 58 58 PHE H H 8.44816 0.01 1 546 58 58 PHE HA H 4.97493 0.05 1 547 58 58 PHE HB2 H 3.29616 0.05 1 548 58 58 PHE HB3 H 2.97298 0.05 1 549 58 58 PHE C C 174.66336 0.1 1 550 58 58 PHE CA C 56.99302 0.15 1 551 58 58 PHE CB C 40.78315 0.15 1 552 58 58 PHE N N 124.54972 0.05 1 553 59 59 GLY H H 7.87491 0.01 1 554 59 59 GLY HA2 H 4.04192 0.05 2 555 59 59 GLY HA3 H 4.04192 0.05 2 556 59 59 GLY C C 173.46815 0.1 1 557 59 59 GLY CA C 44.80664 0.15 1 558 59 59 GLY N N 104.9101 0.05 1 559 60 60 GLU H H 8.28549 0.01 1 560 60 60 GLU HA H 4.17108 0.05 1 561 60 60 GLU HB2 H 1.99732 0.05 2 562 60 60 GLU HB3 H 1.99732 0.05 2 563 60 60 GLU HG2 H 2.24413 0.05 2 564 60 60 GLU HG3 H 2.24413 0.05 2 565 60 60 GLU C C 177.20646 0.1 1 566 60 60 GLU CA C 56.72585 0.15 1 567 60 60 GLU CB C 30.98069 0.15 1 568 60 60 GLU CG C 36.06811 0.2 1 569 60 60 GLU N N 119.26298 0.05 1 570 61 61 GLY H H 8.88641 0.01 1 571 61 61 GLY HA2 H 4.80185 0.05 1 572 61 61 GLY HA3 H 3.90906 0.05 1 573 61 61 GLY CA C 46.12967 0.15 1 574 61 61 GLY N N 111.26913 0.05 1 575 62 62 SER HA H 4.46496 0.05 1 576 62 62 SER HB2 H 3.89352 0.05 2 577 62 62 SER HB3 H 3.89352 0.05 2 578 62 62 SER C C 174.45028 0.1 1 579 62 62 SER CA C 58.38632 0.15 1 580 62 62 SER CB C 63.77821 0.15 1 581 63 63 GLN H H 8.18468 0.01 1 582 63 63 GLN HA H 4.18991 0.05 1 583 63 63 GLN HB2 H 2.15786 0.05 2 584 63 63 GLN HB3 H 2.15786 0.05 2 585 63 63 GLN HG2 H 2.68233 0.05 2 586 63 63 GLN HG3 H 2.68233 0.05 2 587 63 63 GLN HE21 H 7.47003 0.05 1 588 63 63 GLN HE22 H 6.7757 0.05 1 589 63 63 GLN C C 175.1419 0.1 1 590 63 63 GLN CA C 56.84933 0.15 1 591 63 63 GLN CB C 28.71701 0.15 1 592 63 63 GLN CG C 33.90328 0.2 1 593 63 63 GLN CD C 180.47323 0.2 1 594 63 63 GLN N N 121.17114 0.05 1 595 63 63 GLN NE2 N 112.16374 0.05 1 596 64 64 TYR H H 7.92859 0.01 1 597 64 64 TYR HA H 4.74337 0.05 1 598 64 64 TYR HB2 H 2.79277 0.05 1 599 64 64 TYR HB3 H 2.96585 0.05 1 600 64 64 TYR C C 175.83215 0.1 1 601 64 64 TYR CA C 57.25186 0.15 1 602 64 64 TYR CB C 38.99432 0.15 1 603 64 64 TYR N N 118.23858 0.05 1 604 65 65 GLY H H 8.3003 0.01 1 605 65 65 GLY HA2 H 3.94526 0.05 1 606 65 65 GLY HA3 H 3.94468 0.05 1 607 65 65 GLY C C 171.74176 0.1 1 608 65 65 GLY CA C 45.44666 0.15 1 609 65 65 GLY N N 110.52982 0.05 1 610 66 66 TYR H H 8.00717 0.01 1 611 66 66 TYR HA H 5.55712 0.05 1 612 66 66 TYR HB2 H 2.95096 0.05 1 613 66 66 TYR HB3 H 2.85797 0.05 1 614 66 66 TYR C C 174.34029 0.1 1 615 66 66 TYR CA C 56.14728 0.15 1 616 66 66 TYR CB C 41.67905 0.15 1 617 66 66 TYR N N 115.42564 0.05 1 618 67 67 VAL H H 8.8142 0.01 1 619 67 67 VAL HA H 4.9414 0.05 1 620 67 67 VAL HB H 1.98315 0.05 1 621 67 67 VAL HG1 H 0.75744 0.01 1 622 67 67 VAL HG2 H 1.2016 0.01 1 623 67 67 VAL C C 175.48053 0.1 1 624 67 67 VAL CA C 59.57686 0.15 1 625 67 67 VAL CB C 36.60685 0.15 1 626 67 67 VAL CG1 C 19.38097 0.2 1 627 67 67 VAL CG2 C 23.79181 0.2 1 628 67 67 VAL N N 112.41276 0.05 1 629 68 68 LYS H H 8.6943 0.01 1 630 68 68 LYS HA H 5.67958 0.05 1 631 68 68 LYS HB2 H 1.71425 0.05 2 632 68 68 LYS HB3 H 1.71425 0.05 2 633 68 68 LYS C C 175.5378 0.1 1 634 68 68 LYS CA C 55.35371 0.15 1 635 68 68 LYS CB C 36.46074 0.15 1 636 68 68 LYS CG C 26.52242 0.2 1 637 68 68 LYS CD C 29.87451 0.2 1 638 68 68 LYS CE C 41.76231 0.2 1 639 68 68 LYS N N 118.83207 0.05 1 640 69 69 HIS H H 9.09493 0.01 1 641 69 69 HIS HA H 5.89451 0.05 1 642 69 69 HIS HB2 H 2.83269 0.05 2 643 69 69 HIS HB3 H 2.83269 0.05 2 644 69 69 HIS C C 174.00196 0.1 1 645 69 69 HIS CA C 52.19714 0.15 1 646 69 69 HIS CB C 36.30942 0.15 1 647 69 69 HIS N N 122.5647 0.05 1 648 70 70 ARG H H 9.65905 0.01 1 649 70 70 ARG HA H 5.60505 0.05 1 650 70 70 ARG HB2 H 1.97994 0.05 2 651 70 70 ARG HB3 H 1.97994 0.05 2 652 70 70 ARG HG2 H 1.49872 0.05 2 653 70 70 ARG HG3 H 1.49872 0.05 2 654 70 70 ARG C C 175.96607 0.1 1 655 70 70 ARG CA C 53.25507 0.15 1 656 70 70 ARG CB C 33.90447 0.15 1 657 70 70 ARG CG C 26.80714 0.2 1 658 70 70 ARG CD C 43.31072 0.2 1 659 70 70 ARG N N 123.14949 0.05 1 660 71 71 ILE H H 9.27599 0.01 1 661 71 71 ILE HA H 3.97205 0.05 1 662 71 71 ILE HB H 2.12466 0.05 1 663 71 71 ILE HG2 H 0.95439 0.01 1 664 71 71 ILE HD1 H 0.89369 0.01 1 665 71 71 ILE C C 174.96632 0.1 1 666 71 71 ILE CA C 62.46693 0.15 1 667 71 71 ILE CB C 37.25143 0.15 1 668 71 71 ILE CG1 C 27.62936 0.2 1 669 71 71 ILE CG2 C 17.40074 0.2 1 670 71 71 ILE CD1 C 12.22494 0.2 1 671 71 71 ILE N N 126.92508 0.05 1 672 72 72 ASP H H 9.19006 0.01 1 673 72 72 ASP HA H 5.03309 0.05 1 674 72 72 ASP HB2 H 2.63798 0.05 1 675 72 72 ASP HB3 H 2.42452 0.05 1 676 72 72 ASP C C 176.23056 0.1 1 677 72 72 ASP CA C 56.27978 0.15 1 678 72 72 ASP CB C 42.79899 0.15 1 679 72 72 ASP N N 130.59357 0.05 1 680 73 73 SER H H 8.22282 0.01 1 681 73 73 SER HA H 4.62934 0.05 1 682 73 73 SER HB2 H 3.81305 0.05 2 683 73 73 SER HB3 H 3.81305 0.05 2 684 73 73 SER C C 172.14536 0.1 1 685 73 73 SER CA C 58.35635 0.15 1 686 73 73 SER CB C 64.7981 0.15 1 687 73 73 SER N N 113.07956 0.05 1 688 74 74 ILE H H 8.61866 0.01 1 689 74 74 ILE HA H 4.75938 0.05 1 690 74 74 ILE HB H 2.04615 0.05 1 691 74 74 ILE HG12 H 1.32968 0.05 2 692 74 74 ILE HG13 H 1.32968 0.05 2 693 74 74 ILE HG2 H 1.13126 0.01 1 694 74 74 ILE HD1 H 0.98473 0.01 1 695 74 74 ILE C C 174.02507 0.1 1 696 74 74 ILE CA C 62.20971 0.15 1 697 74 74 ILE CB C 41.57594 0.15 1 698 74 74 ILE CG1 C 28.61878 0.2 1 699 74 74 ILE CG2 C 17.37371 0.2 1 700 74 74 ILE CD1 C 14.70921 0.2 1 701 74 74 ILE N N 122.21027 0.05 1 702 75 75 ASP H H 9.08944 0.01 1 703 75 75 ASP HA H 5.08361 0.05 1 704 75 75 ASP HB2 H 2.86788 0.05 1 705 75 75 ASP HB3 H 2.51134 0.05 1 706 75 75 ASP C C 175.39373 0.1 1 707 75 75 ASP CA C 52.96339 0.15 1 708 75 75 ASP CB C 42.28373 0.15 1 709 75 75 ASP N N 126.89799 0.05 1 710 76 76 GLU H H 9.30551 0.01 1 711 76 76 GLU HA H 3.34484 0.05 1 712 76 76 GLU HB2 H 2.00753 0.05 2 713 76 76 GLU HB3 H 2.00753 0.05 2 714 76 76 GLU HG2 H 2.19254 0.05 2 715 76 76 GLU HG3 H 2.19254 0.05 2 716 76 76 GLU C C 177.69422 0.1 1 717 76 76 GLU CA C 59.22234 0.15 1 718 76 76 GLU CB C 29.71135 0.15 1 719 76 76 GLU CG C 36.69445 0.2 1 720 76 76 GLU N N 127.19611 0.05 1 721 77 77 ALA H H 8.07223 0.01 1 722 77 77 ALA HA H 3.84221 0.05 1 723 77 77 ALA HB H 1.38585 0.01 1 724 77 77 ALA C C 178.14656 0.1 1 725 77 77 ALA CA C 54.27232 0.15 1 726 77 77 ALA CB C 18.39719 0.15 1 727 77 77 ALA N N 119.6673 0.05 1 728 78 78 SER H H 7.02301 0.01 1 729 78 78 SER HA H 4.34923 0.05 1 730 78 78 SER HB2 H 3.90166 0.05 1 731 78 78 SER HB3 H 3.70453 0.05 1 732 78 78 SER C C 173.01492 0.1 1 733 78 78 SER CA C 56.69612 0.15 1 734 78 78 SER CB C 64.00283 0.15 1 735 78 78 SER N N 109.23446 0.05 1 736 79 79 TYR H H 7.15353 0.01 1 737 79 79 TYR HA H 3.65736 0.05 1 738 79 79 TYR HB2 H 3.06426 0.05 1 739 79 79 TYR HB3 H 2.83728 0.05 1 740 79 79 TYR C C 173.88144 0.1 1 741 79 79 TYR CA C 57.65415 0.15 1 742 79 79 TYR CB C 36.55848 0.15 1 743 79 79 TYR N N 119.91996 0.05 1 744 80 80 SER H H 8.1088 0.01 1 745 80 80 SER HA H 5.82872 0.05 1 746 80 80 SER HB2 H 3.85218 0.05 2 747 80 80 SER HB3 H 3.85218 0.05 2 748 80 80 SER C C 173.18701 0.1 1 749 80 80 SER CA C 57.20214 0.15 1 750 80 80 SER CB C 66.5233 0.15 1 751 80 80 SER N N 111.07744 0.05 1 752 81 81 TYR H H 9.0243 0.01 1 753 81 81 TYR HA H 5.52374 0.05 1 754 81 81 TYR HB2 H 2.9044 0.05 1 755 81 81 TYR HB3 H 3.31367 0.05 1 756 81 81 TYR C C 173.71503 0.1 1 757 81 81 TYR CA C 56.12357 0.15 1 758 81 81 TYR CB C 42.9308 0.15 1 759 81 81 TYR N N 125.39971 0.05 1 760 82 82 SER H H 9.29833 0.01 1 761 82 82 SER HA H 5.52534 0.05 1 762 82 82 SER HB2 H 4.12967 0.05 2 763 82 82 SER HB3 H 4.12967 0.05 2 764 82 82 SER C C 172.93443 0.1 1 765 82 82 SER CA C 56.79324 0.15 1 766 82 82 SER CB C 65.90832 0.15 1 767 82 82 SER N N 122.95539 0.05 1 768 83 83 TYR H H 8.54422 0.01 1 769 83 83 TYR HA H 5.37844 0.05 1 770 83 83 TYR HB2 H 2.71878 0.05 2 771 83 83 TYR HB3 H 2.71878 0.05 2 772 83 83 TYR C C 172.41826 0.1 1 773 83 83 TYR CA C 56.75304 0.15 1 774 83 83 TYR CB C 40.76192 0.15 1 775 83 83 TYR N N 121.38887 0.05 1 776 84 84 THR H H 9.48269 0.01 1 777 84 84 THR HA H 5.02759 0.05 1 778 84 84 THR HB H 3.9035 0.05 1 779 84 84 THR HG2 H 0.99187 0.01 1 780 84 84 THR C C 173.47615 0.1 1 781 84 84 THR CA C 62.15848 0.15 1 782 84 84 THR CB C 72.06696 0.15 1 783 84 84 THR CG2 C 22.37515 0.2 1 784 84 84 THR N N 116.7003 0.05 1 785 85 85 LEU H H 9.65411 0.01 1 786 85 85 LEU HA H 5.15582 0.05 1 787 85 85 LEU HB2 H 1.8059 0.05 2 788 85 85 LEU HB3 H 1.8059 0.05 2 789 85 85 LEU C C 174.89806 0.1 1 790 85 85 LEU CA C 55.70559 0.15 1 791 85 85 LEU CB C 43.77668 0.15 1 792 85 85 LEU CG C 28.65637 0.2 1 793 85 85 LEU CD1 C 26.43319 0.2 1 794 85 85 LEU CD2 C 26.21027 0.2 1 795 85 85 LEU N N 130.19671 0.05 1 796 86 86 ILE H H 8.17251 0.01 1 797 86 86 ILE HA H 4.7957 0.05 1 798 86 86 ILE HB H 2.15372 0.05 1 799 86 86 ILE HG2 H 0.9564 0.01 1 800 86 86 ILE HD1 H 0.93188 0.01 1 801 86 86 ILE C C 176.32987 0.1 1 802 86 86 ILE CA C 61.10407 0.15 1 803 86 86 ILE CB C 39.68167 0.15 1 804 86 86 ILE CG1 C 26.83611 0.2 1 805 86 86 ILE CG2 C 18.67298 0.2 1 806 86 86 ILE N N 117.95728 0.05 1 807 87 87 GLU H H 7.6376 0.01 1 808 87 87 GLU HA H 4.52041 0.05 1 809 87 87 GLU HB2 H 2.50125 0.05 1 810 87 87 GLU HB3 H 2.28453 0.05 1 811 87 87 GLU HG2 H 1.86343 0.05 2 812 87 87 GLU HG3 H 1.86343 0.05 2 813 87 87 GLU C C 173.8081 0.1 1 814 87 87 GLU CA C 57.09697 0.15 1 815 87 87 GLU CB C 35.11132 0.15 1 816 87 87 GLU CG C 37.31906 0.2 1 817 87 87 GLU N N 121.54576 0.05 1 818 88 88 GLY H H 8.76173 0.01 1 819 88 88 GLY HA2 H 3.63253 0.05 2 820 88 88 GLY HA3 H 3.63253 0.05 2 821 88 88 GLY C C 173.50985 0.1 1 822 88 88 GLY CA C 45.03807 0.15 1 823 88 88 GLY N N 111.67667 0.05 1 824 89 89 ASP H H 8.35118 0.01 1 825 89 89 ASP HA H 4.36062 0.05 1 826 89 89 ASP HB2 H 2.61011 0.05 1 827 89 89 ASP HB3 H 2.76419 0.05 1 828 89 89 ASP C C 176.46218 0.1 1 829 89 89 ASP CA C 56.95144 0.15 1 830 89 89 ASP CB C 41.27496 0.15 1 831 89 89 ASP N N 119.52609 0.05 1 832 90 90 ALA H H 7.93447 0.01 1 833 90 90 ALA HA H 4.13071 0.05 1 834 90 90 ALA HB H 1.35528 0.01 1 835 90 90 ALA C C 177.33789 0.1 1 836 90 90 ALA CA C 53.46258 0.15 1 837 90 90 ALA CB C 19.42654 0.15 1 838 90 90 ALA N N 118.73629 0.05 1 839 91 91 LEU H H 7.61062 0.01 1 840 91 91 LEU HA H 4.46463 0.05 1 841 91 91 LEU HB2 H 2.03974 0.05 1 842 91 91 LEU HB3 H 1.7178 0.05 1 843 91 91 LEU HG H 1.48238 0.05 1 844 91 91 LEU HD1 H 0.8324 0.01 1 845 91 91 LEU HD2 H 0.67274 0.01 1 846 91 91 LEU C C 177.14948 0.1 1 847 91 91 LEU CA C 54.34467 0.15 1 848 91 91 LEU CB C 39.83558 0.15 1 849 91 91 LEU CG C 27.37437 0.2 1 850 91 91 LEU CD1 C 25.49002 0.2 1 851 91 91 LEU CD2 C 23.03184 0.2 1 852 91 91 LEU N N 115.98807 0.05 1 853 92 92 THR H H 7.83293 0.01 1 854 92 92 THR HA H 4.73136 0.05 1 855 92 92 THR HB H 4.61753 0.05 1 856 92 92 THR HG2 H 1.29399 0.01 1 857 92 92 THR C C 174.30912 0.1 1 858 92 92 THR CA C 60.18475 0.15 1 859 92 92 THR CB C 71.52837 0.15 1 860 92 92 THR CG2 C 21.8204 0.2 1 861 92 92 THR N N 112.43952 0.05 1 862 93 93 ASP H H 8.7411 0.01 1 863 93 93 ASP HA H 4.47592 0.05 1 864 93 93 ASP HB2 H 2.78711 0.05 2 865 93 93 ASP HB3 H 2.78711 0.05 2 866 93 93 ASP C C 177.19621 0.1 1 867 93 93 ASP CA C 56.44691 0.15 1 868 93 93 ASP CB C 40.44138 0.15 1 869 93 93 ASP N N 117.23132 0.05 1 870 94 94 THR H H 7.95722 0.01 1 871 94 94 THR HA H 4.83425 0.05 1 872 94 94 THR HB H 4.37951 0.05 1 873 94 94 THR HG2 H 1.21775 0.01 1 874 94 94 THR C C 173.91189 0.1 1 875 94 94 THR CA C 62.47365 0.15 1 876 94 94 THR CB C 69.8755 0.15 1 877 94 94 THR CG2 C 22.5692 0.2 1 878 94 94 THR N N 108.35886 0.05 1 879 95 95 ILE H H 7.72465 0.01 1 880 95 95 ILE HA H 4.40157 0.05 1 881 95 95 ILE HB H 2.08343 0.05 1 882 95 95 ILE HG12 H 1.19674 0.05 2 883 95 95 ILE HG13 H 1.19674 0.05 2 884 95 95 ILE HG2 H 0.9633 0.01 1 885 95 95 ILE HD1 H 0.70721 0.01 1 886 95 95 ILE C C 174.31171 0.1 1 887 95 95 ILE CA C 61.39627 0.15 1 888 95 95 ILE CB C 39.02462 0.15 1 889 95 95 ILE CG1 C 28.08493 0.2 1 890 95 95 ILE CG2 C 19.09288 0.2 1 891 95 95 ILE CD1 C 14.88547 0.2 1 892 95 95 ILE N N 123.46729 0.05 1 893 96 96 GLU H H 8.77029 0.01 1 894 96 96 GLU HA H 4.2547 0.05 1 895 96 96 GLU HB2 H 1.97315 0.05 2 896 96 96 GLU HB3 H 1.97315 0.05 2 897 96 96 GLU HG2 H 2.22285 0.05 2 898 96 96 GLU HG3 H 2.22285 0.05 2 899 96 96 GLU C C 176.37182 0.1 1 900 96 96 GLU CA C 58.00249 0.15 1 901 96 96 GLU CB C 31.93362 0.15 1 902 96 96 GLU CG C 36.25071 0.2 1 903 96 96 GLU N N 125.59888 0.05 1 904 97 97 LYS H H 7.73079 0.01 1 905 97 97 LYS HA H 4.65455 0.05 1 906 97 97 LYS HB2 H 1.9199 0.05 2 907 97 97 LYS HB3 H 1.9199 0.05 2 908 97 97 LYS HG2 H 1.02018 0.05 2 909 97 97 LYS HG3 H 1.02018 0.05 2 910 97 97 LYS C C 173.33817 0.1 1 911 97 97 LYS CA C 55.93299 0.15 1 912 97 97 LYS CB C 34.66589 0.15 1 913 97 97 LYS CG C 23.86626 0.2 1 914 97 97 LYS CD C 29.70152 0.2 1 915 97 97 LYS CE C 41.21815 0.2 1 916 97 97 LYS N N 112.28932 0.05 1 917 98 98 ILE H H 7.23466 0.01 1 918 98 98 ILE HA H 4.923 0.05 1 919 98 98 ILE HG12 H 1.36341 0.05 2 920 98 98 ILE HG13 H 1.36341 0.05 2 921 98 98 ILE HG2 H -0.25646 0.01 1 922 98 98 ILE C C 174.53319 0.1 1 923 98 98 ILE CA C 60.4738 0.15 1 924 98 98 ILE CB C 41.44599 0.15 1 925 98 98 ILE CG1 C 27.33737 0.2 1 926 98 98 ILE CG2 C 16.52112 0.2 1 927 98 98 ILE N N 119.75656 0.05 1 928 99 99 SER H H 9.15233 0.01 1 929 99 99 SER HA H 5.09094 0.05 1 930 99 99 SER HB2 H 3.90514 0.05 2 931 99 99 SER HB3 H 3.90514 0.05 2 932 99 99 SER C C 171.75698 0.1 1 933 99 99 SER CA C 57.24974 0.15 1 934 99 99 SER CB C 65.61844 0.15 1 935 99 99 SER N N 123.0601 0.05 1 936 100 100 TYR H H 9.17803 0.01 1 937 100 100 TYR HA H 5.31041 0.05 1 938 100 100 TYR HB2 H 2.57585 0.05 2 939 100 100 TYR HB3 H 2.57585 0.05 2 940 100 100 TYR C C 176.3166 0.1 1 941 100 100 TYR CA C 56.95094 0.15 1 942 100 100 TYR CB C 41.59602 0.15 1 943 100 100 TYR N N 121.61666 0.05 1 944 101 101 GLU H H 9.09962 0.01 1 945 101 101 GLU HA H 5.09257 0.05 1 946 101 101 GLU HB2 H 2.14794 0.05 2 947 101 101 GLU HB3 H 2.14794 0.05 2 948 101 101 GLU HG2 H 2.81186 0.05 2 949 101 101 GLU HG3 H 2.81186 0.05 2 950 101 101 GLU C C 175.44573 0.1 1 951 101 101 GLU CA C 55.54386 0.15 1 952 101 101 GLU CB C 33.44035 0.15 1 953 101 101 GLU CG C 36.78795 0.2 1 954 101 101 GLU N N 120.91567 0.05 1 955 102 102 THR H H 9.28887 0.01 1 956 102 102 THR HA H 5.53518 0.05 1 957 102 102 THR HB H 4.2324 0.05 1 958 102 102 THR HG2 H 1.34544 0.01 1 959 102 102 THR C C 173.13722 0.1 1 960 102 102 THR CA C 61.93864 0.15 1 961 102 102 THR CB C 71.5848 0.15 1 962 102 102 THR CG2 C 22.36466 0.2 1 963 102 102 THR N N 121.99891 0.05 1 964 103 103 LYS H H 9.09124 0.01 1 965 103 103 LYS HA H 5.55939 0.05 1 966 103 103 LYS HB2 H 1.88406 0.05 2 967 103 103 LYS HB3 H 1.88406 0.05 2 968 103 103 LYS HG2 H 1.46887 0.05 2 969 103 103 LYS HG3 H 1.46887 0.05 2 970 103 103 LYS HD2 H 1.81489 0.05 2 971 103 103 LYS HD3 H 1.81489 0.05 2 972 103 103 LYS HE2 H 2.93802 0.05 2 973 103 103 LYS HE3 H 2.93802 0.05 2 974 103 103 LYS C C 174.72935 0.1 1 975 103 103 LYS CA C 55.20646 0.15 1 976 103 103 LYS CB C 36.58895 0.15 1 977 103 103 LYS CG C 25.15335 0.2 1 978 103 103 LYS CD C 29.51835 0.2 1 979 103 103 LYS CE C 42.39418 0.2 1 980 103 103 LYS N N 126.73174 0.05 1 981 104 104 LEU H H 8.53056 0.01 1 982 104 104 LEU HA H 5.48657 0.05 1 983 104 104 LEU HB2 H 1.96531 0.05 2 984 104 104 LEU HB3 H 1.96531 0.05 2 985 104 104 LEU HD1 H 0.93805 0.01 1 986 104 104 LEU HD2 H 1.11003 0.01 1 987 104 104 LEU C C 175.55422 0.1 1 988 104 104 LEU CA C 53.869 0.15 1 989 104 104 LEU CB C 43.5018 0.15 1 990 104 104 LEU CG C 26.96565 0.2 1 991 104 104 LEU CD1 C 27.13479 0.2 1 992 104 104 LEU CD2 C 27.01817 0.2 1 993 104 104 LEU N N 123.68439 0.05 1 994 105 105 VAL H H 8.71417 0.01 1 995 105 105 VAL HA H 4.42796 0.05 1 996 105 105 VAL HB H 2.02731 0.05 1 997 105 105 VAL HG1 H 0.92638 0.01 1 998 105 105 VAL HG2 H 1.03967 0.01 1 999 105 105 VAL C C 175.25289 0.1 1 1000 105 105 VAL CA C 59.99242 0.15 1 1001 105 105 VAL CB C 35.88704 0.15 1 1002 105 105 VAL CG1 C 21.12196 0.2 1 1003 105 105 VAL CG2 C 21.3907 0.2 1 1004 105 105 VAL N N 118.63543 0.05 1 1005 106 106 ALA H H 8.99804 0.01 1 1006 106 106 ALA HA H 4.20029 0.05 1 1007 106 106 ALA HB H 1.50027 0.01 1 1008 106 106 ALA C C 177.37738 0.1 1 1009 106 106 ALA CA C 53.69537 0.15 1 1010 106 106 ALA CB C 18.83818 0.15 1 1011 106 106 ALA N N 128.11043 0.05 1 1012 107 107 CYS H H 7.87324 0.01 1 1013 107 107 CYS HA H 4.47617 0.05 1 1014 107 107 CYS HB2 H 2.49118 0.05 2 1015 107 107 CYS HB3 H 2.49118 0.05 2 1016 107 107 CYS CA C 57.95819 0.15 1 1017 107 107 CYS CB C 27.37018 0.15 1 1018 107 107 CYS N N 124.62244 0.05 1 1019 109 109 SER HA H 4.57561 0.05 1 1020 109 109 SER HB2 H 4.21669 0.05 1 1021 109 109 SER HB3 H 3.87545 0.05 1 1022 109 109 SER C C 173.20636 0.1 1 1023 109 109 SER CA C 59.05821 0.15 1 1024 109 109 SER CB C 63.67678 0.15 1 1025 110 110 GLY H H 8.03154 0.01 1 1026 110 110 GLY HA2 H 4.1264 0.05 1 1027 110 110 GLY HA3 H 3.86236 0.05 1 1028 110 110 GLY C C 175.47856 0.1 1 1029 110 110 GLY CA C 44.24286 0.15 1 1030 110 110 GLY N N 110.25978 0.05 1 1031 111 111 SER H H 8.95516 0.01 1 1032 111 111 SER HA H 5.43329 0.05 1 1033 111 111 SER HB2 H 3.40504 0.05 2 1034 111 111 SER HB3 H 3.40504 0.05 2 1035 111 111 SER C C 173.15645 0.1 1 1036 111 111 SER CA C 59.18406 0.15 1 1037 111 111 SER CB C 67.96837 0.15 1 1038 111 111 SER N N 120.673 0.05 1 1039 112 112 THR H H 9.41799 0.01 1 1040 112 112 THR HA H 4.62476 0.05 1 1041 112 112 THR HB H 3.78792 0.05 1 1042 112 112 THR HG2 H 1.05038 0.01 1 1043 112 112 THR C C 173.06925 0.1 1 1044 112 112 THR CA C 62.57731 0.15 1 1045 112 112 THR CB C 69.8586 0.15 1 1046 112 112 THR CG2 C 22.95348 0.2 1 1047 112 112 THR N N 120.89409 0.05 1 1048 113 113 ILE H H 9.18711 0.01 1 1049 113 113 ILE HA H 4.38605 0.05 1 1050 113 113 ILE C C 174.62872 0.1 1 1051 113 113 ILE CA C 61.35905 0.15 1 1052 113 113 ILE CB C 38.72624 0.15 1 1053 113 113 ILE CG1 C 28.68003 0.2 1 1054 113 113 ILE CG2 C 19.28942 0.2 1 1055 113 113 ILE N N 127.49693 0.05 1 1056 114 114 LYS H H 9.10114 0.01 1 1057 114 114 LYS HA H 4.90058 0.05 1 1058 114 114 LYS HB2 H 1.84807 0.05 2 1059 114 114 LYS HB3 H 1.84807 0.05 2 1060 114 114 LYS HG2 H 1.36621 0.05 2 1061 114 114 LYS HG3 H 1.36621 0.05 2 1062 114 114 LYS HD2 H 1.64522 0.05 2 1063 114 114 LYS HD3 H 1.64522 0.05 2 1064 114 114 LYS HE2 H 2.86895 0.05 2 1065 114 114 LYS HE3 H 2.86895 0.05 2 1066 114 114 LYS C C 175.12719 0.1 1 1067 114 114 LYS CA C 55.0597 0.15 1 1068 114 114 LYS CB C 33.87275 0.15 1 1069 114 114 LYS CG C 25.362 0.2 1 1070 114 114 LYS CD C 29.34758 0.2 1 1071 114 114 LYS CE C 41.86687 0.2 1 1072 114 114 LYS N N 127.59602 0.05 1 1073 115 115 SER H H 8.83917 0.01 1 1074 115 115 SER HA H 5.4438 0.05 1 1075 115 115 SER HB2 H 3.72299 0.05 1 1076 115 115 SER HB3 H 3.93389 0.05 1 1077 115 115 SER C C 173.67679 0.1 1 1078 115 115 SER CA C 56.89118 0.15 1 1079 115 115 SER CB C 64.41292 0.15 1 1080 115 115 SER N N 120.06214 0.05 1 1081 116 116 ILE H H 9.42391 0.01 1 1082 116 116 ILE HA H 4.92042 0.05 1 1083 116 116 ILE HB H 1.79379 0.05 1 1084 116 116 ILE HG12 H 1.39082 0.05 2 1085 116 116 ILE HG13 H 1.39082 0.05 2 1086 116 116 ILE HG2 H 0.50271 0.01 1 1087 116 116 ILE HD1 H 0.84393 0.01 1 1088 116 116 ILE C C 175.15192 0.1 1 1089 116 116 ILE CA C 60.53712 0.15 1 1090 116 116 ILE CB C 40.8377 0.15 1 1091 116 116 ILE CG1 C 28.21684 0.2 1 1092 116 116 ILE CG2 C 19.08199 0.2 1 1093 116 116 ILE CD1 C 13.83871 0.2 1 1094 116 116 ILE N N 129.77594 0.05 1 1095 117 117 SER H H 9.07974 0.01 1 1096 117 117 SER HA H 5.08964 0.05 1 1097 117 117 SER HB2 H 3.60182 0.05 2 1098 117 117 SER HB3 H 3.60182 0.05 2 1099 117 117 SER C C 172.74524 0.1 1 1100 117 117 SER CA C 55.87337 0.15 1 1101 117 117 SER CB C 66.34866 0.15 1 1102 117 117 SER N N 120.99516 0.05 1 1103 118 118 HIS H H 9.28887 0.01 1 1104 118 118 HIS HA H 5.38561 0.05 1 1105 118 118 HIS HB2 H 3.31978 0.05 1 1106 118 118 HIS HB3 H 2.399 0.05 1 1107 118 118 HIS C C 174.10127 0.1 1 1108 118 118 HIS CA C 53.51576 0.15 1 1109 118 118 HIS CB C 30.86063 0.15 1 1110 118 118 HIS N N 120.73066 0.05 1 1111 119 119 TYR H H 10.14282 0.01 1 1112 119 119 TYR HA H 4.61134 0.05 1 1113 119 119 TYR HB2 H 3.56441 0.05 1 1114 119 119 TYR HB3 H 2.64245 0.05 1 1115 119 119 TYR C C 174.82945 0.1 1 1116 119 119 TYR CA C 58.20293 0.15 1 1117 119 119 TYR CB C 40.48499 0.15 1 1118 119 119 TYR N N 125.82328 0.05 1 1119 120 120 HIS H H 8.61269 0.01 1 1120 120 120 HIS HA H 5.09229 0.05 1 1121 120 120 HIS HB2 H 3.24991 0.05 2 1122 120 120 HIS HB3 H 3.24991 0.05 2 1123 120 120 HIS C C 175.61435 0.1 1 1124 120 120 HIS CA C 55.91527 0.15 1 1125 120 120 HIS CB C 30.78755 0.15 1 1126 120 120 HIS N N 124.762 0.05 1 1127 121 121 THR H H 8.7914 0.01 1 1128 121 121 THR HA H 5.44473 0.05 1 1129 121 121 THR HB H 4.46778 0.05 1 1130 121 121 THR HG2 H 1.34107 0.01 1 1131 121 121 THR C C 174.60294 0.1 1 1132 121 121 THR CA C 60.29229 0.15 1 1133 121 121 THR CB C 71.33933 0.15 1 1134 121 121 THR CG2 C 22.44243 0.2 1 1135 121 121 THR N N 115.12841 0.05 1 1136 122 122 LYS H H 8.74529 0.01 1 1137 122 122 LYS HA H 4.66105 0.05 1 1138 122 122 LYS HB2 H 1.94417 0.05 2 1139 122 122 LYS HB3 H 1.94417 0.05 2 1140 122 122 LYS HG2 H 1.42542 0.05 2 1141 122 122 LYS HG3 H 1.42542 0.05 2 1142 122 122 LYS HD2 H 1.74981 0.05 2 1143 122 122 LYS HD3 H 1.74981 0.05 2 1144 122 122 LYS HE2 H 2.92179 0.05 2 1145 122 122 LYS HE3 H 2.92179 0.05 2 1146 122 122 LYS C C 176.60153 0.1 1 1147 122 122 LYS CA C 55.76382 0.15 1 1148 122 122 LYS CB C 34.46422 0.15 1 1149 122 122 LYS CG C 25.37738 0.2 1 1150 122 122 LYS CD C 29.37246 0.2 1 1151 122 122 LYS CE C 42.29673 0.2 1 1152 122 122 LYS N N 121.07103 0.05 1 1153 123 123 GLY H H 8.33352 0.01 1 1154 123 123 GLY HA2 H 4.79838 0.05 1 1155 123 123 GLY HA3 H 3.99908 0.05 1 1156 123 123 GLY CA C 45.40959 0.15 1 1157 123 123 GLY N N 107.99706 0.05 1 1158 124 124 ASN HA H 4.85446 0.05 1 1159 124 124 ASN HB2 H 2.91436 0.05 1 1160 124 124 ASN HB3 H 2.77929 0.05 1 1161 124 124 ASN HD21 H 7.5917 0.05 1 1162 124 124 ASN HD22 H 6.87962 0.05 1 1163 124 124 ASN C C 174.66672 0.1 1 1164 124 124 ASN CA C 53.04335 0.15 1 1165 124 124 ASN CB C 38.50241 0.15 1 1166 124 124 ASN CG C 177.67995 0.2 1 1167 124 124 ASN ND2 N 112.33678 0.05 1 1168 125 125 ILE H H 7.57886 0.01 1 1169 125 125 ILE HA H 4.25408 0.05 1 1170 125 125 ILE HB H 1.89754 0.05 1 1171 125 125 ILE HG12 H 1.41844 0.05 1 1172 125 125 ILE HG13 H 1.18789 0.05 1 1173 125 125 ILE HG2 H 0.88843 0.01 1 1174 125 125 ILE HD1 H 0.84169 0.01 1 1175 125 125 ILE C C 174.40919 0.1 1 1176 125 125 ILE CA C 60.19451 0.15 1 1177 125 125 ILE CB C 39.55598 0.15 1 1178 125 125 ILE CG1 C 27.40906 0.2 1 1179 125 125 ILE CG2 C 17.72359 0.2 1 1180 125 125 ILE CD1 C 13.23066 0.2 1 1181 125 125 ILE N N 119.83681 0.05 1 1182 126 126 GLU H H 8.23066 0.01 1 1183 126 126 GLU HA H 4.06388 0.05 1 1184 126 126 GLU HB2 H 1.82033 0.05 2 1185 126 126 GLU HB3 H 1.82033 0.05 2 1186 126 126 GLU CA C 55.33253 0.15 1 1187 126 126 GLU CB C 31.30335 0.15 1 1188 126 126 GLU N N 124.9704 0.05 1 1189 127 127 ILE HA H 4.05031 0.05 1 1190 127 127 ILE HG2 H 0.32579 0.01 1 1191 127 127 ILE HD1 H 0.44249 0.01 1 1192 127 127 ILE C C 174.73334 0.1 1 1193 127 127 ILE CA C 58.8283 0.15 1 1194 127 127 ILE CB C 37.16747 0.15 1 1195 127 127 ILE CG1 C 27.15741 0.2 1 1196 127 127 ILE CG2 C 17.39652 0.2 1 1197 127 127 ILE CD1 C 10.71901 0.2 1 1198 128 128 LYS H H 9.24925 0.01 1 1199 128 128 LYS HA H 4.51692 0.05 1 1200 128 128 LYS HB2 H 1.98305 0.05 2 1201 128 128 LYS HB3 H 1.98305 0.05 2 1202 128 128 LYS HG2 H 1.36857 0.05 2 1203 128 128 LYS HG3 H 1.36857 0.05 2 1204 128 128 LYS HD2 H 1.61353 0.05 2 1205 128 128 LYS HD3 H 1.61353 0.05 2 1206 128 128 LYS HE2 H 2.91616 0.05 2 1207 128 128 LYS HE3 H 2.91616 0.05 2 1208 128 128 LYS C C 177.20625 0.1 1 1209 128 128 LYS CA C 54.85895 0.15 1 1210 128 128 LYS CB C 34.52979 0.15 1 1211 128 128 LYS CG C 25.20094 0.2 1 1212 128 128 LYS CD C 29.04893 0.2 1 1213 128 128 LYS CE C 42.30494 0.2 1 1214 128 128 LYS N N 127.65188 0.05 1 1215 129 129 GLU H H 8.83616 0.01 1 1216 129 129 GLU HA H 4.79671 0.05 1 1217 129 129 GLU HB2 H 1.99331 0.05 2 1218 129 129 GLU HB3 H 1.99331 0.05 2 1219 129 129 GLU HG2 H 2.26842 0.05 2 1220 129 129 GLU HG3 H 2.26842 0.05 2 1221 129 129 GLU C C 178.70916 0.1 1 1222 129 129 GLU CA C 59.54267 0.15 1 1223 129 129 GLU CB C 29.48706 0.15 1 1224 129 129 GLU CG C 36.19628 0.2 1 1225 129 129 GLU N N 122.95941 0.05 1 1226 130 130 GLU H H 8.9213 0.01 1 1227 130 130 GLU HA H 4.80528 0.05 1 1228 130 130 GLU HB2 H 1.85939 0.05 2 1229 130 130 GLU HB3 H 1.85939 0.05 2 1230 130 130 GLU HG2 H 1.97564 0.05 2 1231 130 130 GLU HG3 H 1.97564 0.05 2 1232 130 130 GLU C C 177.71345 0.1 1 1233 130 130 GLU CA C 59.15715 0.15 1 1234 130 130 GLU CB C 29.18297 0.15 1 1235 130 130 GLU CG C 35.8073 0.2 1 1236 130 130 GLU N N 116.65642 0.05 1 1237 131 131 HIS H H 7.51358 0.01 1 1238 131 131 HIS HA H 4.41477 0.05 1 1239 131 131 HIS HB2 H 3.13337 0.05 1 1240 131 131 HIS HB3 H 3.13337 0.05 1 1241 131 131 HIS C C 177.72555 0.1 1 1242 131 131 HIS CA C 58.61344 0.15 1 1243 131 131 HIS CB C 31.81444 0.15 1 1244 131 131 HIS N N 117.8554 0.05 1 1245 132 132 VAL H H 7.13123 0.01 1 1246 132 132 VAL HA H 4.05404 0.05 1 1247 132 132 VAL HB H 1.94148 0.05 1 1248 132 132 VAL HG1 H 0.23266 0.01 1 1249 132 132 VAL HG2 H 0.07972 0.01 1 1250 132 132 VAL C C 177.41592 0.1 1 1251 132 132 VAL CA C 62.30269 0.15 1 1252 132 132 VAL CB C 31.81396 0.15 1 1253 132 132 VAL CG1 C 21.02982 0.2 1 1254 132 132 VAL CG2 C 19.29922 0.2 1 1255 132 132 VAL N N 114.65704 0.05 1 1256 133 133 LYS H H 7.61417 0.01 1 1257 133 133 LYS HA H 4.16267 0.05 1 1258 133 133 LYS HB2 H 1.8316 0.05 2 1259 133 133 LYS HB3 H 1.8316 0.05 2 1260 133 133 LYS HG2 H 1.44353 0.05 2 1261 133 133 LYS HG3 H 1.44353 0.05 2 1262 133 133 LYS HD2 H 1.67563 0.05 2 1263 133 133 LYS HD3 H 1.67563 0.05 2 1264 133 133 LYS HE2 H 2.92639 0.05 2 1265 133 133 LYS HE3 H 2.92639 0.05 2 1266 133 133 LYS C C 177.91253 0.1 1 1267 133 133 LYS CA C 59.78968 0.15 1 1268 133 133 LYS CB C 32.94675 0.15 1 1269 133 133 LYS CG C 24.91708 0.2 1 1270 133 133 LYS CD C 29.54095 0.2 1 1271 133 133 LYS CE C 41.76479 0.2 1 1272 133 133 LYS N N 122.68134 0.05 1 1273 134 134 VAL H H 8.06063 0.01 1 1274 134 134 VAL HA H 3.81604 0.05 1 1275 134 134 VAL HB H 2.03916 0.05 1 1276 134 134 VAL HG1 H 0.92929 0.01 1 1277 134 134 VAL HG2 H 1.04798 0.01 1 1278 134 134 VAL C C 178.53396 0.1 1 1279 134 134 VAL CA C 65.89071 0.15 1 1280 134 134 VAL CB C 31.58209 0.15 1 1281 134 134 VAL CG1 C 21.14745 0.2 1 1282 134 134 VAL CG2 C 22.57122 0.2 1 1283 134 134 VAL N N 119.21932 0.05 1 1284 135 135 GLY H H 8.02975 0.01 1 1285 135 135 GLY HA2 H 3.88507 0.05 1 1286 135 135 GLY HA3 H 3.88486 0.05 1 1287 135 135 GLY C C 176.94929 0.1 1 1288 135 135 GLY CA C 47.06587 0.15 1 1289 135 135 GLY N N 108.16327 0.05 1 1290 136 136 LYS H H 7.97463 0.01 1 1291 136 136 LYS HA H 4.11654 0.05 1 1292 136 136 LYS HB2 H 1.93406 0.05 2 1293 136 136 LYS HB3 H 1.93406 0.05 2 1294 136 136 LYS HG2 H 1.39038 0.05 2 1295 136 136 LYS HG3 H 1.39038 0.05 2 1296 136 136 LYS HD2 H 1.5968 0.05 2 1297 136 136 LYS HD3 H 1.5968 0.05 2 1298 136 136 LYS HE2 H 2.8587 0.05 2 1299 136 136 LYS HE3 H 2.8587 0.05 2 1300 136 136 LYS C C 178.41926 0.1 1 1301 136 136 LYS CA C 59.60759 0.15 1 1302 136 136 LYS CB C 32.60338 0.15 1 1303 136 136 LYS CG C 24.97451 0.2 1 1304 136 136 LYS CD C 30.02714 0.2 1 1305 136 136 LYS CE C 42.0548 0.2 1 1306 136 136 LYS N N 123.70503 0.05 1 1307 137 137 GLU H H 8.29421 0.01 1 1308 137 137 GLU HA H 4.78595 0.05 1 1309 137 137 GLU HB2 H 2.03218 0.05 1 1310 137 137 GLU HB3 H 1.95312 0.05 1 1311 137 137 GLU HG2 H 2.4559 0.05 1 1312 137 137 GLU HG3 H 2.31505 0.05 1 1313 137 137 GLU C C 180.33499 0.1 1 1314 137 137 GLU CA C 59.3102 0.15 1 1315 137 137 GLU CB C 29.39237 0.15 1 1316 137 137 GLU CG C 36.64279 0.2 1 1317 137 137 GLU N N 119.90316 0.05 1 1318 138 138 LYS H H 8.41241 0.01 1 1319 138 138 LYS HA H 4.09226 0.05 1 1320 138 138 LYS HB2 H 1.84071 0.05 2 1321 138 138 LYS HB3 H 1.84071 0.05 2 1322 138 138 LYS HG2 H 1.41865 0.05 2 1323 138 138 LYS HG3 H 1.41865 0.05 2 1324 138 138 LYS HD2 H 1.56019 0.05 2 1325 138 138 LYS HD3 H 1.56019 0.05 2 1326 138 138 LYS HE2 H 2.78588 0.05 2 1327 138 138 LYS HE3 H 2.78588 0.05 2 1328 138 138 LYS C C 179.43181 0.1 1 1329 138 138 LYS CA C 59.21212 0.15 1 1330 138 138 LYS CB C 32.35006 0.15 1 1331 138 138 LYS CG C 25.41019 0.2 1 1332 138 138 LYS CD C 29.22051 0.2 1 1333 138 138 LYS CE C 42.08177 0.2 1 1334 138 138 LYS N N 120.97842 0.05 1 1335 139 139 ALA H H 7.87263 0.01 1 1336 139 139 ALA HA H 4.02266 0.05 1 1337 139 139 ALA HB H 1.49518 0.01 1 1338 139 139 ALA C C 179.73202 0.1 1 1339 139 139 ALA CA C 55.14725 0.15 1 1340 139 139 ALA CB C 18.24125 0.15 1 1341 139 139 ALA N N 122.4254 0.05 1 1342 140 140 HIS H H 8.44588 0.01 1 1343 140 140 HIS HA H 4.00526 0.05 1 1344 140 140 HIS HB2 H 3.10807 0.05 2 1345 140 140 HIS HB3 H 3.10807 0.05 2 1346 140 140 HIS C C 177.75596 0.1 1 1347 140 140 HIS CA C 58.97997 0.15 1 1348 140 140 HIS CB C 30.78851 0.15 1 1349 140 140 HIS N N 118.56012 0.05 1 1350 141 141 GLY H H 8.27341 0.01 1 1351 141 141 GLY HA2 H 3.93247 0.05 1 1352 141 141 GLY HA3 H 3.72985 0.05 1 1353 141 141 GLY C C 176.51362 0.1 1 1354 141 141 GLY CA C 47.25111 0.15 1 1355 141 141 GLY N N 105.93364 0.05 1 1356 142 142 LEU H H 7.63025 0.01 1 1357 142 142 LEU HA H 4.15245 0.05 1 1358 142 142 LEU HB2 H 1.65649 0.05 2 1359 142 142 LEU HB3 H 1.65649 0.05 2 1360 142 142 LEU HG H 1.65635 0.05 1 1361 142 142 LEU HD1 H 0.87004 0.01 2 1362 142 142 LEU HD2 H 0.87004 0.01 2 1363 142 142 LEU C C 178.57665 0.1 1 1364 142 142 LEU CA C 57.81953 0.15 1 1365 142 142 LEU CB C 41.46304 0.15 1 1366 142 142 LEU CD1 C 24.33641 0.2 2 1367 142 142 LEU CD2 C 24.33641 0.2 2 1368 142 142 LEU N N 122.83797 0.05 1 1369 143 143 PHE H H 7.99795 0.01 1 1370 143 143 PHE HA H 4.11893 0.05 1 1371 143 143 PHE HB2 H 2.78925 0.05 2 1372 143 143 PHE HB3 H 2.78925 0.05 2 1373 143 143 PHE C C 177.87255 0.1 1 1374 143 143 PHE CA C 61.57484 0.15 1 1375 143 143 PHE CB C 37.66737 0.15 1 1376 143 143 PHE N N 118.57501 0.05 1 1377 144 144 LYS H H 8.26425 0.01 1 1378 144 144 LYS HA H 3.94189 0.05 1 1379 144 144 LYS HB2 H 1.87947 0.05 2 1380 144 144 LYS HB3 H 1.87947 0.05 2 1381 144 144 LYS HG2 H 1.46156 0.05 2 1382 144 144 LYS HG3 H 1.46156 0.05 2 1383 144 144 LYS HD2 H 1.65253 0.05 2 1384 144 144 LYS HD3 H 1.65253 0.05 2 1385 144 144 LYS HE2 H 2.90304 0.05 2 1386 144 144 LYS HE3 H 2.78286 0.05 2 1387 144 144 LYS C C 179.41525 0.1 1 1388 144 144 LYS CA C 58.97628 0.15 1 1389 144 144 LYS CB C 31.6841 0.15 1 1390 144 144 LYS CG C 24.85368 0.2 1 1391 144 144 LYS CD C 28.59112 0.2 1 1392 144 144 LYS CE C 41.76572 0.2 1 1393 144 144 LYS N N 118.56074 0.05 1 1394 145 145 LEU H H 7.58096 0.01 1 1395 145 145 LEU HA H 4.15564 0.05 1 1396 145 145 LEU HB2 H 2.03953 0.05 2 1397 145 145 LEU HB3 H 2.03953 0.05 2 1398 145 145 LEU HG H 1.52353 0.05 1 1399 145 145 LEU HD1 H 0.93241 0.01 1 1400 145 145 LEU HD2 H 0.9271 0.01 1 1401 145 145 LEU C C 180.17308 0.1 1 1402 145 145 LEU CA C 58.27033 0.15 1 1403 145 145 LEU CB C 42.39504 0.15 1 1404 145 145 LEU CG C 26.70104 0.2 1 1405 145 145 LEU CD1 C 25.5253 0.2 1 1406 145 145 LEU CD2 C 23.50919 0.2 1 1407 145 145 LEU N N 120.44096 0.05 1 1408 146 146 ILE H H 7.95673 0.01 1 1409 146 146 ILE HA H 3.51987 0.05 1 1410 146 146 ILE HB H 1.87007 0.05 1 1411 146 146 ILE HG2 H 0.65943 0.01 1 1412 146 146 ILE HD1 H 0.7381 0.01 1 1413 146 146 ILE C C 177.03665 0.1 1 1414 146 146 ILE CA C 65.17067 0.15 1 1415 146 146 ILE CB C 37.71055 0.15 1 1416 146 146 ILE CG1 C 29.34593 0.2 1 1417 146 146 ILE CG2 C 17.51827 0.2 1 1418 146 146 ILE CD1 C 13.68165 0.2 1 1419 146 146 ILE N N 121.14158 0.05 1 1420 147 147 GLU H H 8.72791 0.01 1 1421 147 147 GLU HA H 3.61508 0.05 1 1422 147 147 GLU HB2 H 1.94311 0.05 2 1423 147 147 GLU HB3 H 1.94311 0.05 2 1424 147 147 GLU HG2 H 2.11945 0.05 2 1425 147 147 GLU HG3 H 2.11945 0.05 2 1426 147 147 GLU C C 177.98413 0.1 1 1427 147 147 GLU CA C 60.28175 0.15 1 1428 147 147 GLU CB C 30.31213 0.15 1 1429 147 147 GLU CG C 37.0954 0.2 1 1430 147 147 GLU N N 120.98039 0.05 1 1431 148 148 SER H H 8.22321 0.01 1 1432 148 148 SER HA H 4.10879 0.05 1 1433 148 148 SER HB2 H 3.813 0.05 2 1434 148 148 SER HB3 H 3.813 0.05 2 1435 148 148 SER C C 175.87193 0.1 1 1436 148 148 SER CA C 62.18584 0.15 1 1437 148 148 SER N N 113.20856 0.05 1 1438 149 149 TYR H H 7.83801 0.01 1 1439 149 149 TYR HA H 4.3808 0.05 1 1440 149 149 TYR HB2 H 3.21828 0.05 2 1441 149 149 TYR HB3 H 3.21828 0.05 2 1442 149 149 TYR C C 178.88796 0.1 1 1443 149 149 TYR CA C 62.49659 0.15 1 1444 149 149 TYR CB C 38.49537 0.15 1 1445 149 149 TYR N N 121.78068 0.05 1 1446 150 150 LEU H H 8.58133 0.01 1 1447 150 150 LEU HA H 4.04434 0.05 1 1448 150 150 LEU HB2 H 2.06143 0.05 2 1449 150 150 LEU HB3 H 2.06143 0.05 2 1450 150 150 LEU HG H 1.38529 0.05 1 1451 150 150 LEU HD1 H 1.01402 0.01 1 1452 150 150 LEU C C 179.92213 0.1 1 1453 150 150 LEU CA C 57.54918 0.15 1 1454 150 150 LEU CB C 41.05037 0.15 1 1455 150 150 LEU CG C 27.61987 0.2 1 1456 150 150 LEU CD1 C 23.35584 0.2 2 1457 150 150 LEU CD2 C 23.35584 0.2 2 1458 150 150 LEU N N 119.48476 0.05 1 1459 151 151 LYS H H 8.35802 0.01 1 1460 151 151 LYS HA H 4.03582 0.05 1 1461 151 151 LYS HB2 H 1.91036 0.05 2 1462 151 151 LYS HB3 H 1.91036 0.05 2 1463 151 151 LYS HG2 H 1.41586 0.05 2 1464 151 151 LYS HG3 H 1.41586 0.05 2 1465 151 151 LYS HD2 H 1.63617 0.05 2 1466 151 151 LYS HD3 H 1.63617 0.05 2 1467 151 151 LYS HE2 H 2.93671 0.05 2 1468 151 151 LYS HE3 H 2.93671 0.05 2 1469 151 151 LYS C C 178.25022 0.1 1 1470 151 151 LYS CA C 59.36257 0.15 1 1471 151 151 LYS CB C 32.28066 0.15 1 1472 151 151 LYS CG C 25.71509 0.2 1 1473 151 151 LYS CD C 29.46392 0.2 1 1474 151 151 LYS CE C 41.77195 0.2 1 1475 151 151 LYS N N 120.9073 0.05 1 1476 152 152 ASP H H 7.71243 0.01 1 1477 152 152 ASP HA H 4.43376 0.05 1 1478 152 152 ASP HB2 H 2.56938 0.05 1 1479 152 152 ASP HB3 H 2.29585 0.05 1 1480 152 152 ASP C C 175.56951 0.1 1 1481 152 152 ASP CA C 55.1804 0.15 1 1482 152 152 ASP CB C 40.88305 0.15 1 1483 152 152 ASP N N 117.00976 0.05 1 1484 153 153 HIS H H 7.31712 0.01 1 1485 153 153 HIS HA H 4.90044 0.05 1 1486 153 153 HIS HB2 H 2.62302 0.05 2 1487 153 153 HIS HB3 H 2.62302 0.05 2 1488 153 153 HIS CA C 53.55609 0.15 1 1489 153 153 HIS CB C 27.65105 0.15 1 1490 153 153 HIS N N 116.22044 0.05 1 1491 154 154 PRO HA H 4.39484 0.05 1 1492 154 154 PRO HB2 H 2.39132 0.05 2 1493 154 154 PRO HB3 H 2.39132 0.05 2 1494 154 154 PRO HG2 H 1.97314 0.05 2 1495 154 154 PRO HG3 H 1.97314 0.05 2 1496 154 154 PRO HD2 H 3.61703 0.05 1 1497 154 154 PRO HD3 H 3.31331 0.05 1 1498 154 154 PRO C C 175.98757 0.1 1 1499 154 154 PRO CA C 64.8213 0.15 1 1500 154 154 PRO CB C 32.26136 0.15 1 1501 154 154 PRO CG C 27.16761 0.2 1 1502 154 154 PRO CD C 50.59923 0.2 1 1503 155 155 ASP H H 8.6269 0.01 1 1504 155 155 ASP HA H 4.53206 0.05 1 1505 155 155 ASP HB2 H 2.64484 0.05 2 1506 155 155 ASP HB3 H 2.64484 0.05 2 1507 155 155 ASP C C 176.27817 0.1 1 1508 155 155 ASP CA C 53.83864 0.15 1 1509 155 155 ASP CB C 40.52811 0.15 1 1510 155 155 ASP N N 114.15117 0.05 1 1511 156 156 ALA H H 7.75157 0.01 1 1512 156 156 ALA HA H 4.19876 0.05 1 1513 156 156 ALA HB H 1.44358 0.01 1 1514 156 156 ALA C C 177.719 0.1 1 1515 156 156 ALA CA C 52.58841 0.15 1 1516 156 156 ALA CB C 19.84846 0.15 1 1517 156 156 ALA N N 124.34554 0.05 1 1518 157 157 TYR H H 8.75265 0.01 1 1519 157 157 TYR HA H 4.08258 0.05 1 1520 157 157 TYR HB2 H 3.37877 0.05 1 1521 157 157 TYR HB3 H 3.06064 0.05 1 1522 157 157 TYR C C 173.37771 0.1 1 1523 157 157 TYR CA C 60.19833 0.15 1 1524 157 157 TYR CB C 35.12229 0.15 1 1525 157 157 TYR N N 117.73008 0.05 1 1526 158 158 ASN H H 7.67431 0.01 1 1527 158 158 ASN HA H 4.66916 0.05 1 1528 158 158 ASN HB2 H 2.78695 0.05 1 1529 158 158 ASN HB3 H 2.53647 0.05 1 1530 158 158 ASN HD21 H 7.20326 0.05 1 1531 158 158 ASN HD22 H 6.8863 0.05 1 1532 158 158 ASN CA C 54.42457 0.15 1 1533 158 158 ASN CB C 40.77856 0.15 1 1534 158 158 ASN CG C 177.9673 0.2 1 1535 158 158 ASN N N 120.83813 0.05 1 1536 158 158 ASN ND2 N 112.16374 0.05 1 stop_ save_