data_34216 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; PH domain from TgAPH ; _BMRB_accession_number 34216 _BMRB_flat_file_name bmr34216.str _Entry_type original _Submission_date 2017-12-13 _Accession_date 2017-12-13 _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 Darvill N. . . 2 Liu B. . . 3 Matthews S. . . 4 Soldati-Favre D. . . 5 Rouse S. . . 6 Benjamin S. . . 7 Blake T. . . 8 Dubois D. J. . 9 Hammoudi P. M. . 10 Pino P. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 734 "13C chemical shifts" 538 "15N chemical shifts" 126 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-01-28 original BMRB . stop_ _Original_release_date 2019-01-22 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Basis of Phosphatidic Acid Sensing by APH in Apicomplexan Parasites. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29910186 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Darvill N. . . 2 Dubois D. J. . 3 Rouse S. L. . 4 Hammoudi P. M. . 5 Blake T. . . 6 Benjamin S. . . 7 Liu B. . . 8 Soldati-Favre D. . . 9 Matthews S. . . stop_ _Journal_abbreviation Structure _Journal_volume 26 _Journal_issue . _Journal_ASTM STRUE6 _Journal_ISSN 1878-4186 _Journal_CSD 2005 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1059 _Page_last 1071 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Uncharacterized protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 13759.891 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 121 _Mol_residue_sequence ; SASDIRMKKVMQYRRALTKV VKLKTHLFSETVKVTCSKDG EEVQWFKGKSTAGAQDRKKP SGGFPVDKITSVKSQADNTK VLVITVNNPQPTTYNFTFKS PGERESWQEQIQSLMKFMSM K ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 11 SER 2 12 ALA 3 13 SER 4 14 ASP 5 15 ILE 6 16 ARG 7 17 MET 8 18 LYS 9 19 LYS 10 20 VAL 11 21 MET 12 22 GLN 13 23 TYR 14 24 ARG 15 25 ARG 16 26 ALA 17 27 LEU 18 28 THR 19 29 LYS 20 30 VAL 21 31 VAL 22 32 LYS 23 33 LEU 24 34 LYS 25 35 THR 26 36 HIS 27 37 LEU 28 38 PHE 29 39 SER 30 40 GLU 31 41 THR 32 42 VAL 33 43 LYS 34 44 VAL 35 45 THR 36 46 CYS 37 47 SER 38 48 LYS 39 49 ASP 40 50 GLY 41 51 GLU 42 52 GLU 43 53 VAL 44 54 GLN 45 55 TRP 46 56 PHE 47 57 LYS 48 58 GLY 49 59 LYS 50 60 SER 51 61 THR 52 62 ALA 53 63 GLY 54 64 ALA 55 65 GLN 56 66 ASP 57 67 ARG 58 68 LYS 59 69 LYS 60 70 PRO 61 71 SER 62 72 GLY 63 73 GLY 64 74 PHE 65 75 PRO 66 76 VAL 67 77 ASP 68 78 LYS 69 79 ILE 70 80 THR 71 81 SER 72 82 VAL 73 83 LYS 74 84 SER 75 85 GLN 76 86 ALA 77 87 ASP 78 88 ASN 79 89 THR 80 90 LYS 81 91 VAL 82 92 LEU 83 93 VAL 84 94 ILE 85 95 THR 86 96 VAL 87 97 ASN 88 98 ASN 89 99 PRO 90 100 GLN 91 101 PRO 92 102 THR 93 103 THR 94 104 TYR 95 105 ASN 96 106 PHE 97 107 THR 98 108 PHE 99 109 LYS 100 110 SER 101 111 PRO 102 112 GLY 103 113 GLU 104 114 ARG 105 115 GLU 106 116 SER 107 117 TRP 108 118 GLN 109 119 GLU 110 120 GLN 111 121 ILE 112 122 GLN 113 123 SER 114 124 LEU 115 125 MET 116 126 LYS 117 127 PHE 118 128 MET 119 129 SER 120 130 MET 121 131 LYS 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 _Strain _Gene_mnemonic $entity_1 'Toxoplasma gondii' 508771 Eukaryota . Toxoplasma gondii 'ATCC 50611 / Me49' TGME49_249970 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 $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '730 uM [U-100% 15N]; [U-100% 13C] C-terminal PH domain from TgAPH, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 730 uM '[U-100% 15N]; [U-100% 13C]' NaCl 150 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 water C 13 protons ppm 4.78 internal indirect . . . 0.25144953 water H 1 protons ppm 4.78 internal direct . . . 1.0 water N 15 protons ppm 4.78 internal indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HN(CO)CA' '3D HBHA(CO)NH' '3D C(CO)NH' '3D H(CCO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 11 1 SER H H 8.474 . . 2 11 1 SER HA H 4.453 . . 3 11 1 SER HB2 H 4.083 . . 4 11 1 SER HB3 H 3.913 . . 5 11 1 SER C C 175.021 . . 6 11 1 SER CA C 58.469 . . 7 11 1 SER CB C 63.974 . . 8 11 1 SER N N 119.182 . . 9 12 2 ALA H H 8.495 . . 10 12 2 ALA HA H 4.216 . . 11 12 2 ALA HB H 1.467 . . 12 12 2 ALA C C 179.519 . . 13 12 2 ALA CA C 54.306 . . 14 12 2 ALA CB C 18.700 . . 15 12 2 ALA N N 125.101 . . 16 13 3 SER H H 8.287 . . 17 13 3 SER HA H 4.307 . . 18 13 3 SER HB2 H 3.954 . . 19 13 3 SER HB3 H 3.901 . . 20 13 3 SER C C 179.541 . . 21 13 3 SER CA C 60.221 . . 22 13 3 SER CB C 63.069 . . 23 13 3 SER N N 113.806 . . 24 14 4 ASP H H 8.026 . . 25 14 4 ASP HA H 4.538 . . 26 14 4 ASP HB2 H 2.824 . . 27 14 4 ASP HB3 H 2.725 . . 28 14 4 ASP C C 177.970 . . 29 14 4 ASP CA C 56.278 . . 30 14 4 ASP CB C 41.089 . . 31 14 4 ASP N N 123.362 . . 32 15 5 ILE H H 8.064 . . 33 15 5 ILE HA H 3.763 . . 34 15 5 ILE HB H 1.962 . . 35 15 5 ILE HG12 H 1.636 . . 36 15 5 ILE HG13 H 1.245 . . 37 15 5 ILE HG2 H 0.983 . . 38 15 5 ILE HD1 H 0.866 . . 39 15 5 ILE C C 178.268 . . 40 15 5 ILE CA C 64.384 . . 41 15 5 ILE CB C 38.021 . . 42 15 5 ILE CG1 C 28.776 . . 43 15 5 ILE CG2 C 17.379 . . 44 15 5 ILE CD1 C 13.041 . . 45 15 5 ILE N N 121.174 . . 46 16 6 ARG H H 8.081 . . 47 16 6 ARG HA H 4.218 . . 48 16 6 ARG HB2 H 2.030 . . 49 16 6 ARG HB3 H 2.038 . . 50 16 6 ARG HG2 H 1.707 . . 51 16 6 ARG HG3 H 1.707 . . 52 16 6 ARG HD2 H 3.228 . . 53 16 6 ARG HD3 H 3.184 . . 54 16 6 ARG C C 178.268 . . 55 16 6 ARG CA C 60.222 . . 56 16 6 ARG CB C 29.915 . . 57 16 6 ARG CG C 28.470 . . 58 16 6 ARG CD C 43.236 . . 59 16 6 ARG N N 121.132 . . 60 17 7 MET H H 8.205 . . 61 17 7 MET HA H 4.329 . . 62 17 7 MET HB2 H 2.661 . . 63 17 7 MET HB3 H 2.260 . . 64 17 7 MET HG2 H 2.797 . . 65 17 7 MET HG3 H 2.261 . . 66 17 7 MET C C 179.180 . . 67 17 7 MET CA C 58.177 . . 68 17 7 MET CB C 32.207 . . 69 17 7 MET CG C 32.454 . . 70 17 7 MET N N 117.294 . . 71 18 8 LYS H H 8.069 . . 72 18 8 LYS HA H 4.013 . . 73 18 8 LYS HB2 H 1.914 . . 74 18 8 LYS HB3 H 1.864 . . 75 18 8 LYS HG2 H 1.384 . . 76 18 8 LYS HG3 H 1.384 . . 77 18 8 LYS HD2 H 1.633 . . 78 18 8 LYS HD3 H 1.633 . . 79 18 8 LYS HE2 H 2.966 . . 80 18 8 LYS HE3 H 2.966 . . 81 18 8 LYS C C 179.498 . . 82 18 8 LYS CA C 59.783 . . 83 18 8 LYS CB C 32.252 . . 84 18 8 LYS CG C 25.714 . . 85 18 8 LYS CD C 29.409 . . 86 18 8 LYS CE C 42.131 . . 87 18 8 LYS N N 120.168 . . 88 19 9 LYS H H 7.863 . . 89 19 9 LYS HA H 3.844 . . 90 19 9 LYS HB2 H 1.864 . . 91 19 9 LYS HB3 H 1.469 . . 92 19 9 LYS HG2 H 1.052 . . 93 19 9 LYS HG3 H 1.052 . . 94 19 9 LYS HD2 H 1.410 . . 95 19 9 LYS HD3 H 1.410 . . 96 19 9 LYS HE2 H 2.691 . . 97 19 9 LYS HE3 H 2.691 . . 98 19 9 LYS C C 179.138 . . 99 19 9 LYS CA C 58.907 . . 100 19 9 LYS CB C 31.814 . . 101 19 9 LYS CG C 24.864 . . 102 19 9 LYS CD C 28.726 . . 103 19 9 LYS CE C 42.046 . . 104 19 9 LYS N N 120.294 . . 105 20 10 VAL H H 8.420 . . 106 20 10 VAL HA H 3.693 . . 107 20 10 VAL HB H 2.231 . . 108 20 10 VAL HG1 H 1.139 . . 109 20 10 VAL HG2 H 0.853 . . 110 20 10 VAL C C 177.695 . . 111 20 10 VAL CA C 67.743 . . 112 20 10 VAL CB C 31.230 . . 113 20 10 VAL CG1 C 23.758 . . 114 20 10 VAL CG2 C 22.057 . . 115 20 10 VAL N N 119.561 . . 116 21 11 MET H H 8.120 . . 117 21 11 MET HA H 4.187 . . 118 21 11 MET HB2 H 2.246 . . 119 21 11 MET HB3 H 2.114 . . 120 21 11 MET HG2 H 2.701 . . 121 21 11 MET HG3 H 2.798 . . 122 21 11 MET C C 178.904 . . 123 21 11 MET CA C 58.469 . . 124 21 11 MET CB C 31.595 . . 125 21 11 MET CG C 32.398 . . 126 21 11 MET N N 118.347 . . 127 22 12 GLN H H 7.522 . . 128 22 12 GLN HA H 4.029 . . 129 22 12 GLN HB2 H 2.032 . . 130 22 12 GLN HB3 H 1.908 . . 131 22 12 GLN HG2 H 2.348 . . 132 22 12 GLN HG3 H 2.229 . . 133 22 12 GLN HE21 H 7.313 . . 134 22 12 GLN HE22 H 6.786 . . 135 22 12 GLN C C 179.413 . . 136 22 12 GLN CA C 59.471 . . 137 22 12 GLN CB C 27.798 . . 138 22 12 GLN CG C 33.593 . . 139 22 12 GLN N N 119.414 . . 140 22 12 GLN NE2 N 111.860 . . 141 23 13 TYR H H 7.924 . . 142 23 13 TYR HA H 4.251 . . 143 23 13 TYR HB2 H 3.019 . . 144 23 13 TYR HB3 H 2.863 . . 145 23 13 TYR HD1 H 6.918 . . 146 23 13 TYR HD2 H 6.918 . . 147 23 13 TYR HE1 H 6.159 . . 148 23 13 TYR HE2 H 6.159 . . 149 23 13 TYR C C 177.376 . . 150 23 13 TYR CA C 62.047 . . 151 23 13 TYR CB C 37.802 . . 152 23 13 TYR CD1 C 133.601 . . 153 23 13 TYR CD2 C 133.601 . . 154 23 13 TYR CE1 C 149.609 . . 155 23 13 TYR CE2 C 149.609 . . 156 23 13 TYR N N 120.454 . . 157 24 14 ARG H H 8.819 . . 158 24 14 ARG HA H 4.082 . . 159 24 14 ARG HB2 H 1.979 . . 160 24 14 ARG HB3 H 1.566 . . 161 24 14 ARG HG2 H 1.473 . . 162 24 14 ARG HG3 H 1.473 . . 163 24 14 ARG HD2 H 3.031 . . 164 24 14 ARG HD3 H 3.144 . . 165 24 14 ARG C C 179.380 . . 166 24 14 ARG CA C 59.972 . . 167 24 14 ARG CB C 30.499 . . 168 24 14 ARG CG C 27.702 . . 169 24 14 ARG CD C 44.464 . . 170 24 14 ARG N N 118.980 . . 171 25 15 ARG H H 7.957 . . 172 25 15 ARG HA H 4.092 . . 173 25 15 ARG HB2 H 1.932 . . 174 25 15 ARG HB3 H 1.932 . . 175 25 15 ARG HG2 H 1.848 . . 176 25 15 ARG HG3 H 1.651 . . 177 25 15 ARG HD2 H 3.224 . . 178 25 15 ARG HD3 H 3.224 . . 179 25 15 ARG C C 178.904 . . 180 25 15 ARG CA C 59.929 . . 181 25 15 ARG CB C 30.281 . . 182 25 15 ARG CG C 27.702 . . 183 25 15 ARG CD C 43.463 . . 184 25 15 ARG N N 119.517 . . 185 26 16 ALA H H 7.754 . . 186 26 16 ALA HA H 4.198 . . 187 26 16 ALA HB H 1.427 . . 188 26 16 ALA C C 179.541 . . 189 26 16 ALA CA C 54.671 . . 190 26 16 ALA CB C 18.889 . . 191 26 16 ALA N N 121.268 . . 192 27 17 LEU H H 8.411 . . 193 27 17 LEU HA H 4.346 . . 194 27 17 LEU HB2 H 1.793 . . 195 27 17 LEU HB3 H 1.369 . . 196 27 17 LEU HG H 1.497 . . 197 27 17 LEU HD1 H -0.479 . . 198 27 17 LEU HD2 H 0.392 . . 199 27 17 LEU C C 177.928 . . 200 27 17 LEU CA C 54.817 . . 201 27 17 LEU CB C 43.279 . . 202 27 17 LEU CG C 26.905 . . 203 27 17 LEU CD1 C 21.717 . . 204 27 17 LEU CD2 C 26.933 . . 205 27 17 LEU N N 115.432 . . 206 28 18 THR H H 7.342 . . 207 28 18 THR HA H 5.872 . . 208 28 18 THR HB H 4.400 . . 209 28 18 THR HG2 H 1.297 . . 210 28 18 THR C C 175.076 . . 211 28 18 THR CA C 63.215 . . 212 28 18 THR CB C 68.985 . . 213 28 18 THR CG2 C 20.701 . . 214 28 18 THR N N 116.530 . . 215 29 19 LYS H H 8.774 . . 216 29 19 LYS HA H 4.887 . . 217 29 19 LYS HB2 H 1.878 . . 218 29 19 LYS HB3 H 1.651 . . 219 29 19 LYS HG2 H 1.661 . . 220 29 19 LYS HG3 H 1.601 . . 221 29 19 LYS HD2 H 2.164 . . 222 29 19 LYS HD3 H 2.164 . . 223 29 19 LYS HE2 H 3.344 . . 224 29 19 LYS HE3 H 3.269 . . 225 29 19 LYS C C 173.977 . . 226 29 19 LYS CA C 54.219 . . 227 29 19 LYS CB C 38.096 . . 228 29 19 LYS CG C 25.704 . . 229 29 19 LYS CD C 28.455 . . 230 29 19 LYS CE C 42.387 . . 231 29 19 LYS N N 129.980 . . 232 30 20 VAL H H 8.555 . . 233 30 20 VAL HA H 4.903 . . 234 30 20 VAL HB H 1.930 . . 235 30 20 VAL HG1 H 0.985 . . 236 30 20 VAL HG2 H 0.814 . . 237 30 20 VAL C C 176.011 . . 238 30 20 VAL CA C 63.019 . . 239 30 20 VAL CB C 31.632 . . 240 30 20 VAL CG1 C 21.702 . . 241 30 20 VAL CG2 C 21.383 . . 242 30 20 VAL N N 123.539 . . 243 31 21 VAL H H 9.076 . . 244 31 21 VAL HA H 4.512 . . 245 31 21 VAL HB H 1.420 . . 246 31 21 VAL HG1 H 0.217 . . 247 31 21 VAL HG2 H 0.005 . . 248 31 21 VAL C C 173.609 . . 249 31 21 VAL CA C 58.887 . . 250 31 21 VAL CB C 36.164 . . 251 31 21 VAL CG1 C 19.200 . . 252 31 21 VAL CG2 C 22.397 . . 253 31 21 VAL N N 121.748 . . 254 32 22 LYS H H 7.605 . . 255 32 22 LYS HA H 4.716 . . 256 32 22 LYS HB2 H 1.664 . . 257 32 22 LYS HB3 H 1.540 . . 258 32 22 LYS HG2 H 1.220 . . 259 32 22 LYS HG3 H 1.220 . . 260 32 22 LYS HD2 H 1.464 . . 261 32 22 LYS HD3 H 1.464 . . 262 32 22 LYS HE2 H 2.787 . . 263 32 22 LYS HE3 H 2.787 . . 264 32 22 LYS C C 174.681 . . 265 32 22 LYS CA C 55.767 . . 266 32 22 LYS CB C 33.056 . . 267 32 22 LYS CG C 24.954 . . 268 32 22 LYS CD C 29.206 . . 269 32 22 LYS CE C 41.875 . . 270 32 22 LYS N N 119.249 . . 271 33 23 LEU H H 8.898 . . 272 33 23 LEU HA H 4.765 . . 273 33 23 LEU HB2 H 1.439 . . 274 33 23 LEU HB3 H 0.551 . . 275 33 23 LEU HG H 0.799 . . 276 33 23 LEU HD1 H -0.526 . . 277 33 23 LEU HD2 H -0.338 . . 278 33 23 LEU C C 173.416 . . 279 33 23 LEU CA C 53.402 . . 280 33 23 LEU CB C 45.626 . . 281 33 23 LEU CG C 27.455 . . 282 33 23 LEU CD1 C 24.779 . . 283 33 23 LEU CD2 C 21.887 . . 284 33 23 LEU N N 129.385 . . 285 34 24 LYS H H 8.705 . . 286 34 24 LYS HA H 5.173 . . 287 34 24 LYS HB2 H 1.612 . . 288 34 24 LYS HB3 H 1.612 . . 289 34 24 LYS HG2 H 1.323 . . 290 34 24 LYS HG3 H 1.181 . . 291 34 24 LYS HD2 H 1.558 . . 292 34 24 LYS HD3 H 1.558 . . 293 34 24 LYS HE2 H 2.787 . . 294 34 24 LYS HE3 H 2.787 . . 295 34 24 LYS C C 175.507 . . 296 34 24 LYS CA C 54.956 . . 297 34 24 LYS CB C 36.030 . . 298 34 24 LYS CG C 25.034 . . 299 34 24 LYS CD C 29.457 . . 300 34 24 LYS CE C 41.962 . . 301 34 24 LYS N N 126.377 . . 302 35 25 THR H H 8.828 . . 303 35 25 THR HA H 4.498 . . 304 35 25 THR HB H 4.165 . . 305 35 25 THR HG2 H 0.776 . . 306 35 25 THR C C 173.609 . . 307 35 25 THR CA C 59.471 . . 308 35 25 THR CB C 70.727 . . 309 35 25 THR CG2 C 20.951 . . 310 35 25 THR N N 119.846 . . 311 36 26 HIS HA H 5.293 . . 312 36 26 HIS C C 175.615 . . 313 36 26 HIS CA C 58.177 . . 314 36 26 HIS CB C 29.696 . . 315 37 27 LEU H H 7.922 . . 316 37 27 LEU HA H 4.212 . . 317 37 27 LEU HB2 H 1.532 . . 318 37 27 LEU HB3 H 1.532 . . 319 37 27 LEU HG H 0.903 . . 320 37 27 LEU HD1 H 0.874 . . 321 37 27 LEU HD2 H 0.757 . . 322 37 27 LEU C C 176.506 . . 323 37 27 LEU CA C 55.402 . . 324 37 27 LEU CB C 42.963 . . 325 37 27 LEU CG C 26.480 . . 326 37 27 LEU CD1 C 25.204 . . 327 37 27 LEU CD2 C 22.652 . . 328 37 27 LEU N N 118.088 . . 329 38 28 PHE H H 7.399 . . 330 38 28 PHE HA H 4.811 . . 331 38 28 PHE HB2 H 3.020 . . 332 38 28 PHE HB3 H 3.020 . . 333 38 28 PHE HD1 H 7.043 . . 334 38 28 PHE HD2 H 7.043 . . 335 38 28 PHE HE1 H 7.166 . . 336 38 28 PHE HE2 H 7.166 . . 337 38 28 PHE C C 173.111 . . 338 38 28 PHE CA C 57.300 . . 339 38 28 PHE CB C 41.462 . . 340 38 28 PHE CD1 C 132.851 . . 341 38 28 PHE CD2 C 132.851 . . 342 38 28 PHE CE1 C 131.850 . . 343 38 28 PHE CE2 C 131.850 . . 344 38 28 PHE N N 117.502 . . 345 39 29 SER H H 8.499 . . 346 39 29 SER HA H 5.319 . . 347 39 29 SER HB2 H 3.688 . . 348 39 29 SER HB3 H 3.592 . . 349 39 29 SER C C 173.811 . . 350 39 29 SER CA C 56.789 . . 351 39 29 SER CB C 63.800 . . 352 39 29 SER N N 117.502 . . 353 40 30 GLU H H 8.628 . . 354 40 30 GLU HA H 4.720 . . 355 40 30 GLU HB2 H 2.017 . . 356 40 30 GLU HB3 H 1.652 . . 357 40 30 GLU HG2 H 2.012 . . 358 40 30 GLU HG3 H 2.060 . . 359 40 30 GLU C C 174.984 . . 360 40 30 GLU CA C 54.964 . . 361 40 30 GLU CB C 34.459 . . 362 40 30 GLU CG C 35.709 . . 363 40 30 GLU N N 123.443 . . 364 41 31 THR H H 8.910 . . 365 41 31 THR HA H 4.808 . . 366 41 31 THR HB H 3.988 . . 367 41 31 THR HG2 H 1.062 . . 368 41 31 THR C C 174.481 . . 369 41 31 THR CA C 64.224 . . 370 41 31 THR CB C 68.816 . . 371 41 31 THR CG2 C 21.952 . . 372 41 31 THR N N 121.002 . . 373 42 32 VAL H H 9.285 . . 374 42 32 VAL HA H 5.046 . . 375 42 32 VAL HB H 2.197 . . 376 42 32 VAL HG1 H 0.804 . . 377 42 32 VAL HG2 H 0.498 . . 378 42 32 VAL C C 173.145 . . 379 42 32 VAL CA C 58.471 . . 380 42 32 VAL CB C 36.430 . . 381 42 32 VAL CG1 C 21.972 . . 382 42 32 VAL CG2 C 19.165 . . 383 42 32 VAL N N 120.514 . . 384 43 33 LYS H H 8.522 . . 385 43 33 LYS HA H 5.133 . . 386 43 33 LYS HB2 H 1.757 . . 387 43 33 LYS HB3 H 1.953 . . 388 43 33 LYS HG2 H 1.345 . . 389 43 33 LYS HG3 H 1.345 . . 390 43 33 LYS HD2 H 1.563 . . 391 43 33 LYS HD3 H 1.563 . . 392 43 33 LYS HE2 H 2.716 . . 393 43 33 LYS HE3 H 2.715 . . 394 43 33 LYS C C 176.167 . . 395 43 33 LYS CA C 55.329 . . 396 43 33 LYS CB C 34.151 . . 397 43 33 LYS CG C 24.942 . . 398 43 33 LYS CD C 29.372 . . 399 43 33 LYS CE C 41.712 . . 400 43 33 LYS N N 120.981 . . 401 44 34 VAL H H 9.410 . . 402 44 34 VAL HA H 5.588 . . 403 44 34 VAL HB H 2.003 . . 404 44 34 VAL HG1 H 1.356 . . 405 44 34 VAL HG2 H 1.101 . . 406 44 34 VAL C C 172.525 . . 407 44 34 VAL CA C 59.491 . . 408 44 34 VAL CB C 35.164 . . 409 44 34 VAL CG1 C 22.992 . . 410 44 34 VAL CG2 C 20.701 . . 411 44 34 VAL N N 127.314 . . 412 45 35 THR H H 8.978 . . 413 45 35 THR HA H 4.528 . . 414 45 35 THR HB H 4.616 . . 415 45 35 THR HG2 H 1.185 . . 416 45 35 THR C C 173.609 . . 417 45 35 THR CA C 60.972 . . 418 45 35 THR CB C 67.684 . . 419 45 35 THR CG2 C 17.700 . . 420 45 35 THR N N 117.105 . . 421 46 36 CYS H H 8.635 . . 422 46 36 CYS HA H 5.863 . . 423 46 36 CYS HB2 H 3.139 . . 424 46 36 CYS HB3 H 2.171 . . 425 46 36 CYS C C 172.990 . . 426 46 36 CYS CA C 54.719 . . 427 46 36 CYS CB C 31.707 . . 428 46 36 CYS N N 114.386 . . 429 47 37 SER H H 8.960 . . 430 47 37 SER HA H 4.209 . . 431 47 37 SER HB2 H 3.813 . . 432 47 37 SER HB3 H 3.813 . . 433 47 37 SER C C 176.103 . . 434 47 37 SER CA C 58.554 . . 435 47 37 SER CB C 64.418 . . 436 47 37 SER N N 115.557 . . 437 48 38 LYS H H 8.902 . . 438 48 38 LYS HA H 3.797 . . 439 48 38 LYS HB2 H 1.846 . . 440 48 38 LYS HB3 H 1.846 . . 441 48 38 LYS HG2 H 1.349 . . 442 48 38 LYS HG3 H 1.486 . . 443 48 38 LYS HD2 H 1.683 . . 444 48 38 LYS HD3 H 1.683 . . 445 48 38 LYS HE2 H 2.964 . . 446 48 38 LYS HE3 H 2.964 . . 447 48 38 LYS C C 175.178 . . 448 48 38 LYS CA C 59.820 . . 449 48 38 LYS CB C 32.165 . . 450 48 38 LYS CG C 25.719 . . 451 48 38 LYS CD C 29.449 . . 452 48 38 LYS CE C 42.213 . . 453 48 38 LYS N N 119.512 . . 454 49 39 ASP H H 7.489 . . 455 49 39 ASP HA H 4.607 . . 456 49 39 ASP HB2 H 3.114 . . 457 49 39 ASP HB3 H 2.578 . . 458 49 39 ASP C C 176.761 . . 459 49 39 ASP CA C 52.468 . . 460 49 39 ASP CB C 41.235 . . 461 49 39 ASP N N 112.227 . . 462 50 40 GLY H H 7.941 . . 463 50 40 GLY HA2 H 4.276 . . 464 50 40 GLY HA3 H 3.448 . . 465 50 40 GLY C C 171.435 . . 466 50 40 GLY CA C 45.964 . . 467 50 40 GLY N N 109.802 . . 468 51 41 GLU H H 7.322 . . 469 51 41 GLU HA H 4.058 . . 470 51 41 GLU HB2 H 2.084 . . 471 51 41 GLU HB3 H 1.852 . . 472 51 41 GLU HG2 H 2.182 . . 473 51 41 GLU HG3 H 2.182 . . 474 51 41 GLU C C 178.268 . . 475 51 41 GLU CA C 57.971 . . 476 51 41 GLU CB C 30.206 . . 477 51 41 GLU CG C 35.959 . . 478 51 41 GLU N N 111.253 . . 479 52 42 GLU H H 8.199 . . 480 52 42 GLU HA H 5.030 . . 481 52 42 GLU HB2 H 1.803 . . 482 52 42 GLU HB3 H 1.530 . . 483 52 42 GLU HG2 H 1.889 . . 484 52 42 GLU HG3 H 2.002 . . 485 52 42 GLU C C 176.167 . . 486 52 42 GLU CA C 55.037 . . 487 52 42 GLU CB C 33.708 . . 488 52 42 GLU CG C 35.959 . . 489 52 42 GLU N N 118.577 . . 490 53 43 VAL H H 8.489 . . 491 53 43 VAL HA H 4.142 . . 492 53 43 VAL HB H 0.733 . . 493 53 43 VAL HG1 H 0.943 . . 494 53 43 VAL HG2 H 0.893 . . 495 53 43 VAL C C 174.321 . . 496 53 43 VAL CA C 62.723 . . 497 53 43 VAL CB C 31.449 . . 498 53 43 VAL CG1 C 20.951 . . 499 53 43 VAL CG2 C 22.822 . . 500 53 43 VAL N N 124.703 . . 501 54 44 GLN H H 8.360 . . 502 54 44 GLN HA H 4.815 . . 503 54 44 GLN HB2 H 1.421 . . 504 54 44 GLN HB3 H 1.421 . . 505 54 44 GLN HG2 H 1.955 . . 506 54 44 GLN HG3 H 1.955 . . 507 54 44 GLN HE21 H 6.573 . . 508 54 44 GLN HE22 H 7.553 . . 509 54 44 GLN C C 174.278 . . 510 54 44 GLN CA C 53.718 . . 511 54 44 GLN CB C 33.724 . . 512 54 44 GLN CG C 34.035 . . 513 54 44 GLN N N 122.524 . . 514 54 44 GLN NE2 N 110.472 . . 515 55 45 TRP H H 7.451 . . 516 55 45 TRP HA H 6.083 . . 517 55 45 TRP HB2 H 3.240 . . 518 55 45 TRP HB3 H 2.795 . . 519 55 45 TRP HD1 H 6.077 . . 520 55 45 TRP HE1 H 9.450 . . 521 55 45 TRP HE3 H 6.933 . . 522 55 45 TRP HZ2 H 7.005 . . 523 55 45 TRP HZ3 H 6.632 . . 524 55 45 TRP HH2 H 6.769 . . 525 55 45 TRP C C 174.066 . . 526 55 45 TRP CA C 55.548 . . 527 55 45 TRP CB C 31.960 . . 528 55 45 TRP CD1 C 183.141 . . 529 55 45 TRP CE3 C 151.610 . . 530 55 45 TRP CZ2 C 159.041 . . 531 55 45 TRP CZ3 C 153.361 . . 532 55 45 TRP CH2 C 129.599 . . 533 55 45 TRP N N 112.759 . . 534 55 45 TRP NE1 N 128.400 . . 535 56 46 PHE H H 9.059 . . 536 56 46 PHE HA H 4.782 . . 537 56 46 PHE HB2 H 3.150 . . 538 56 46 PHE HB3 H 2.872 . . 539 56 46 PHE HD1 H 7.169 . . 540 56 46 PHE HD2 H 7.169 . . 541 56 46 PHE HE1 H 7.027 . . 542 56 46 PHE HE2 H 7.027 . . 543 56 46 PHE C C 175.636 . . 544 56 46 PHE CA C 56.883 . . 545 56 46 PHE CB C 42.228 . . 546 56 46 PHE CD1 C 131.850 . . 547 56 46 PHE CD2 C 131.850 . . 548 56 46 PHE CE1 C 132.601 . . 549 56 46 PHE CE2 C 132.601 . . 550 56 46 PHE N N 118.039 . . 551 57 47 LYS H H 8.642 . . 552 57 47 LYS HA H 4.607 . . 553 57 47 LYS HB2 H 1.963 . . 554 57 47 LYS HB3 H 1.818 . . 555 57 47 LYS HG2 H 1.485 . . 556 57 47 LYS HG3 H 1.485 . . 557 57 47 LYS HD2 H 1.662 . . 558 57 47 LYS HD3 H 1.670 . . 559 57 47 LYS HE2 H 2.963 . . 560 57 47 LYS HE3 H 2.963 . . 561 57 47 LYS C C 176.688 . . 562 57 47 LYS CA C 56.716 . . 563 57 47 LYS CB C 34.098 . . 564 57 47 LYS CG C 25.253 . . 565 57 47 LYS CD C 29.206 . . 566 57 47 LYS CE C 42.212 . . 567 57 47 LYS N N 122.580 . . 568 58 48 GLY H H 8.822 . . 569 58 48 GLY HA2 H 4.052 . . 570 58 48 GLY HA3 H 3.966 . . 571 58 48 GLY C C 173.997 . . 572 58 48 GLY CA C 45.214 . . 573 58 48 GLY N N 110.784 . . 574 62 52 ALA H H 8.196 . . 575 62 52 ALA HA H 4.245 . . 576 62 52 ALA HB H 1.369 . . 577 62 52 ALA C C 178.268 . . 578 62 52 ALA CA C 52.718 . . 579 62 52 ALA CB C 19.035 . . 580 62 52 ALA N N 122.563 . . 581 63 53 GLY H H 8.315 . . 582 63 53 GLY HA2 H 3.960 . . 583 63 53 GLY HA3 H 3.882 . . 584 63 53 GLY C C 174.193 . . 585 63 53 GLY CA C 45.251 . . 586 63 53 GLY N N 108.242 . . 587 64 54 ALA H H 8.024 . . 588 64 54 ALA HA H 4.281 . . 589 64 54 ALA HB H 1.378 . . 590 64 54 ALA C C 178.225 . . 591 64 54 ALA CA C 52.919 . . 592 64 54 ALA CB C 19.108 . . 593 64 54 ALA N N 123.450 . . 594 65 55 GLN H H 8.400 . . 595 65 55 GLN HA H 4.155 . . 596 65 55 GLN HB2 H 2.015 . . 597 65 55 GLN HB3 H 1.898 . . 598 65 55 GLN HG2 H 2.270 . . 599 65 55 GLN HG3 H 2.270 . . 600 65 55 GLN HE21 H 7.450 . . 601 65 55 GLN HE22 H 6.816 . . 602 65 55 GLN C C 175.912 . . 603 65 55 GLN CA C 56.220 . . 604 65 55 GLN CB C 28.966 . . 605 65 55 GLN CG C 33.958 . . 606 65 55 GLN N N 118.644 . . 607 65 55 GLN NE2 N 112.425 . . 608 66 56 ASP H H 8.167 . . 609 66 56 ASP HA H 4.492 . . 610 66 56 ASP HB2 H 2.652 . . 611 66 56 ASP HB3 H 2.652 . . 612 66 56 ASP C C 176.379 . . 613 66 56 ASP CA C 54.817 . . 614 66 56 ASP CB C 41.162 . . 615 66 56 ASP N N 120.202 . . 616 67 57 ARG H H 8.167 . . 617 67 57 ARG HA H 4.311 . . 618 67 57 ARG HB2 H 1.755 . . 619 67 57 ARG HB3 H 1.913 . . 620 67 57 ARG HG2 H 1.639 . . 621 67 57 ARG HG3 H 1.639 . . 622 67 57 ARG HD2 H 3.182 . . 623 67 57 ARG HD3 H 3.182 . . 624 67 57 ARG C C 176.167 . . 625 67 57 ARG CA C 56.278 . . 626 67 57 ARG CB C 30.206 . . 627 67 57 ARG CG C 27.429 . . 628 67 57 ARG CD C 43.236 . . 629 67 57 ARG N N 120.263 . . 630 68 58 LYS H H 8.094 . . 631 68 58 LYS HA H 4.317 . . 632 68 58 LYS HB2 H 1.876 . . 633 68 58 LYS HB3 H 1.876 . . 634 68 58 LYS HG2 H 1.449 . . 635 68 58 LYS HG3 H 1.449 . . 636 68 58 LYS HD2 H 1.667 . . 637 68 58 LYS HD3 H 1.667 . . 638 68 58 LYS HE2 H 2.968 . . 639 68 58 LYS HE3 H 2.968 . . 640 68 58 LYS C C 176.209 . . 641 68 58 LYS CA C 56.351 . . 642 68 58 LYS CB C 33.275 . . 643 68 58 LYS CG C 24.786 . . 644 68 58 LYS CD C 29.294 . . 645 68 58 LYS CE C 42.195 . . 646 68 58 LYS N N 120.432 . . 647 69 59 LYS H H 8.142 . . 648 69 59 LYS HA H 4.649 . . 649 69 59 LYS HB2 H 1.769 . . 650 69 59 LYS HB3 H 1.683 . . 651 69 59 LYS HG2 H 1.416 . . 652 69 59 LYS HG3 H 1.416 . . 653 69 59 LYS HD2 H 1.661 . . 654 69 59 LYS HD3 H 1.661 . . 655 69 59 LYS HE2 H 2.969 . . 656 69 59 LYS HE3 H 2.969 . . 657 69 59 LYS C C 173.811 . . 658 69 59 LYS CA C 53.718 . . 659 69 59 LYS CB C 32.910 . . 660 69 59 LYS CG C 24.609 . . 661 69 59 LYS CD C 29.117 . . 662 69 59 LYS CE C 42.131 . . 663 69 59 LYS N N 122.064 . . 664 70 60 PRO HA H 3.313 . . 665 70 60 PRO HB2 H 1.349 . . 666 70 60 PRO HB3 H 1.349 . . 667 70 60 PRO HG2 H 1.529 . . 668 70 60 PRO HG3 H 1.641 . . 669 70 60 PRO HD2 H 3.488 . . 670 70 60 PRO HD3 H 3.488 . . 671 70 60 PRO C C 176.716 . . 672 70 60 PRO CA C 62.619 . . 673 70 60 PRO CB C 31.707 . . 674 70 60 PRO CG C 26.652 . . 675 70 60 PRO CD C 50.467 . . 676 71 61 SER H H 8.565 . . 677 71 61 SER HA H 4.264 . . 678 71 61 SER HB2 H 3.903 . . 679 71 61 SER HB3 H 3.541 . . 680 71 61 SER C C 173.702 . . 681 71 61 SER CA C 59.954 . . 682 71 61 SER CB C 63.285 . . 683 71 61 SER N N 117.773 . . 684 72 62 GLY H H 6.648 . . 685 72 62 GLY HA2 H 3.526 . . 686 72 62 GLY HA3 H 3.034 . . 687 72 62 GLY C C 169.037 . . 688 72 62 GLY CA C 43.963 . . 689 72 62 GLY N N 107.167 . . 690 73 63 GLY H H 7.100 . . 691 73 63 GLY HA2 H 3.822 . . 692 73 63 GLY HA3 H 3.428 . . 693 73 63 GLY C C 172.177 . . 694 73 63 GLY CA C 46.565 . . 695 73 63 GLY N N 130.956 . . 696 74 64 PHE H H 8.347 . . 697 74 64 PHE HA H 5.205 . . 698 74 64 PHE HB2 H 3.226 . . 699 74 64 PHE HB3 H 2.960 . . 700 74 64 PHE HD1 H 6.730 . . 701 74 64 PHE HD2 H 6.730 . . 702 74 64 PHE HE1 H 7.001 . . 703 74 64 PHE HE2 H 7.001 . . 704 74 64 PHE C C 171.965 . . 705 74 64 PHE CA C 54.525 . . 706 74 64 PHE CB C 39.190 . . 707 74 64 PHE CD1 C 134.131 . . 708 74 64 PHE CD2 C 134.131 . . 709 74 64 PHE CE1 C 127.098 . . 710 74 64 PHE CE2 C 127.098 . . 711 74 64 PHE N N 113.379 . . 712 75 65 PRO HA H 4.970 . . 713 75 65 PRO HB2 H 2.493 . . 714 75 65 PRO HB3 H 2.111 . . 715 75 65 PRO HG2 H 2.089 . . 716 75 65 PRO HG3 H 2.089 . . 717 75 65 PRO HD2 H 4.038 . . 718 75 65 PRO HD3 H 3.518 . . 719 75 65 PRO C C 178.334 . . 720 75 65 PRO CA C 62.019 . . 721 75 65 PRO CB C 31.899 . . 722 75 65 PRO CG C 28.205 . . 723 75 65 PRO CD C 51.467 . . 724 76 66 VAL H H 8.678 . . 725 76 66 VAL HA H 3.702 . . 726 76 66 VAL HB H 1.913 . . 727 76 66 VAL HG1 H 0.822 . . 728 76 66 VAL HG2 H 0.822 . . 729 76 66 VAL C C 178.005 . . 730 76 66 VAL CA C 65.551 . . 731 76 66 VAL CB C 32.165 . . 732 76 66 VAL CG1 C 21.702 . . 733 76 66 VAL CG2 C 21.702 . . 734 76 66 VAL N N 124.723 . . 735 77 67 ASP H H 8.890 . . 736 77 67 ASP HA H 4.394 . . 737 77 67 ASP HB2 H 2.952 . . 738 77 67 ASP HB3 H 2.621 . . 739 77 67 ASP C C 176.998 . . 740 77 67 ASP CA C 54.969 . . 741 77 67 ASP CB C 40.029 . . 742 77 67 ASP N N 116.595 . . 743 78 68 LYS H H 7.321 . . 744 78 68 LYS HA H 4.651 . . 745 78 68 LYS HB2 H 1.686 . . 746 78 68 LYS HB3 H 1.686 . . 747 78 68 LYS HG2 H 1.443 . . 748 78 68 LYS HG3 H 1.443 . . 749 78 68 LYS HD2 H 1.667 . . 750 78 68 LYS HD3 H 1.667 . . 751 78 68 LYS HE2 H 2.964 . . 752 78 68 LYS HE3 H 2.964 . . 753 78 68 LYS C C 176.288 . . 754 78 68 LYS CA C 53.722 . . 755 78 68 LYS CB C 32.252 . . 756 78 68 LYS CG C 24.553 . . 757 78 68 LYS CD C 29.206 . . 758 78 68 LYS CE C 42.117 . . 759 78 68 LYS N N 116.331 . . 760 79 69 ILE H H 7.455 . . 761 79 69 ILE HA H 4.071 . . 762 79 69 ILE HB H 1.927 . . 763 79 69 ILE HG12 H 0.842 . . 764 79 69 ILE HG13 H 0.842 . . 765 79 69 ILE HG2 H 0.943 . . 766 79 69 ILE HD1 H 1.179 . . 767 79 69 ILE C C 177.228 . . 768 79 69 ILE CA C 63.581 . . 769 79 69 ILE CB C 39.044 . . 770 79 69 ILE CG1 C 28.128 . . 771 79 69 ILE CG2 C 18.229 . . 772 79 69 ILE CD1 C 14.742 . . 773 79 69 ILE N N 121.409 . . 774 80 70 THR H H 9.333 . . 775 80 70 THR HA H 4.481 . . 776 80 70 THR HB H 4.175 . . 777 80 70 THR HG2 H 1.156 . . 778 80 70 THR C C 175.352 . . 779 80 70 THR CA C 61.819 . . 780 80 70 THR CB C 69.949 . . 781 80 70 THR CG2 C 22.202 . . 782 80 70 THR N N 120.041 . . 783 81 71 SER H H 7.541 . . 784 81 71 SER HA H 4.630 . . 785 81 71 SER HB2 H 3.807 . . 786 81 71 SER HB3 H 3.774 . . 787 81 71 SER C C 172.114 . . 788 81 71 SER CA C 58.688 . . 789 81 71 SER CB C 64.474 . . 790 81 71 SER N N 114.943 . . 791 82 72 VAL H H 8.469 . . 792 82 72 VAL HA H 4.604 . . 793 82 72 VAL HB H 2.129 . . 794 82 72 VAL HG1 H 0.994 . . 795 82 72 VAL HG2 H 0.994 . . 796 82 72 VAL C C 174.384 . . 797 82 72 VAL CA C 62.120 . . 798 82 72 VAL CB C 34.370 . . 799 82 72 VAL CG1 C 21.452 . . 800 82 72 VAL CG2 C 21.452 . . 801 82 72 VAL N N 124.965 . . 802 83 73 LYS H H 8.811 . . 803 83 73 LYS HA H 4.840 . . 804 83 73 LYS HB2 H 1.889 . . 805 83 73 LYS HB3 H 1.690 . . 806 83 73 LYS HG2 H 1.442 . . 807 83 73 LYS HG3 H 1.368 . . 808 83 73 LYS HD2 H 1.678 . . 809 83 73 LYS HD3 H 1.678 . . 810 83 73 LYS HE2 H 2.961 . . 811 83 73 LYS HE3 H 2.965 . . 812 83 73 LYS C C 175.081 . . 813 83 73 LYS CA C 55.022 . . 814 83 73 LYS CB C 36.697 . . 815 83 73 LYS CG C 24.453 . . 816 83 73 LYS CD C 29.206 . . 817 83 73 LYS CE C 42.195 . . 818 83 73 LYS N N 124.729 . . 819 84 74 SER H H 8.721 . . 820 84 74 SER HA H 4.883 . . 821 84 74 SER HB2 H 4.011 . . 822 84 74 SER HB3 H 3.813 . . 823 84 74 SER C C 174.094 . . 824 84 74 SER CA C 57.488 . . 825 84 74 SER CB C 64.200 . . 826 84 74 SER N N 118.855 . . 827 85 75 GLN H H 8.633 . . 828 85 75 GLN HA H 4.375 . . 829 85 75 GLN HB2 H 2.307 . . 830 85 75 GLN HB3 H 2.307 . . 831 85 75 GLN HG2 H 2.295 . . 832 85 75 GLN HG3 H 2.295 . . 833 85 75 GLN HE21 H 6.691 . . 834 85 75 GLN HE22 H 7.647 . . 835 85 75 GLN C C 177.206 . . 836 85 75 GLN CA C 55.986 . . 837 85 75 GLN CB C 29.915 . . 838 85 75 GLN CG C 34.135 . . 839 85 75 GLN N N 123.362 . . 840 85 75 GLN NE2 N 112.229 . . 841 86 76 ALA H H 8.794 . . 842 86 76 ALA HA H 4.001 . . 843 86 76 ALA HB H 1.403 . . 844 86 76 ALA C C 178.331 . . 845 86 76 ALA CA C 55.037 . . 846 86 76 ALA CB C 18.596 . . 847 86 76 ALA N N 129.026 . . 848 87 77 ASP H H 8.288 . . 849 87 77 ASP HA H 4.553 . . 850 87 77 ASP HB2 H 2.830 . . 851 87 77 ASP HB3 H 2.613 . . 852 87 77 ASP C C 176.039 . . 853 87 77 ASP CA C 53.576 . . 854 87 77 ASP CB C 40.211 . . 855 87 77 ASP N N 112.147 . . 856 88 78 ASN H H 7.267 . . 857 88 78 ASN HA H 4.814 . . 858 88 78 ASN HB2 H 2.888 . . 859 88 78 ASN HB3 H 2.669 . . 860 88 78 ASN HD21 H 7.609 . . 861 88 78 ASN HD22 H 6.893 . . 862 88 78 ASN C C 175.488 . . 863 88 78 ASN CA C 53.357 . . 864 88 78 ASN CB C 38.167 . . 865 88 78 ASN N N 115.915 . . 866 88 78 ASN ND2 N 112.760 . . 867 89 79 THR H H 8.560 . . 868 89 79 THR HA H 4.382 . . 869 89 79 THR HB H 4.547 . . 870 89 79 THR HG2 H 1.363 . . 871 89 79 THR C C 175.964 . . 872 89 79 THR CA C 63.508 . . 873 89 79 THR CB C 69.277 . . 874 89 79 THR CG2 C 22.702 . . 875 89 79 THR N N 113.500 . . 876 90 80 LYS H H 8.134 . . 877 90 80 LYS HA H 4.194 . . 878 90 80 LYS HB2 H 2.348 . . 879 90 80 LYS HB3 H 1.755 . . 880 90 80 LYS HG2 H 1.535 . . 881 90 80 LYS HG3 H 1.535 . . 882 90 80 LYS HD2 H 1.783 . . 883 90 80 LYS HD3 H 1.783 . . 884 90 80 LYS HE2 H 3.065 . . 885 90 80 LYS HE3 H 3.066 . . 886 90 80 LYS C C 175.275 . . 887 90 80 LYS CA C 57.958 . . 888 90 80 LYS CB C 32.106 . . 889 90 80 LYS CG C 26.263 . . 890 90 80 LYS CD C 29.216 . . 891 90 80 LYS CE C 42.117 . . 892 90 80 LYS N N 119.516 . . 893 91 81 VAL H H 7.705 . . 894 91 81 VAL HA H 5.225 . . 895 91 81 VAL HB H 2.032 . . 896 91 81 VAL HG1 H 0.917 . . 897 91 81 VAL HG2 H 0.917 . . 898 91 81 VAL C C 174.766 . . 899 91 81 VAL CA C 61.609 . . 900 91 81 VAL CB C 34.208 . . 901 91 81 VAL CG1 C 21.632 . . 902 91 81 VAL CG2 C 21.632 . . 903 91 81 VAL N N 120.004 . . 904 92 82 LEU H H 9.608 . . 905 92 82 LEU HA H 4.872 . . 906 92 82 LEU HB2 H 2.172 . . 907 92 82 LEU HB3 H 1.391 . . 908 92 82 LEU HG H 1.603 . . 909 92 82 LEU HD1 H 0.841 . . 910 92 82 LEU HD2 H 0.841 . . 911 92 82 LEU C C 173.977 . . 912 92 82 LEU CA C 52.968 . . 913 92 82 LEU CB C 48.492 . . 914 92 82 LEU CG C 27.245 . . 915 92 82 LEU CD1 C 24.013 . . 916 92 82 LEU CD2 C 24.009 . . 917 92 82 LEU N N 128.611 . . 918 93 83 VAL H H 9.338 . . 919 93 83 VAL HA H 4.860 . . 920 93 83 VAL HB H 2.015 . . 921 93 83 VAL HG1 H 0.889 . . 922 93 83 VAL HG2 H 0.798 . . 923 93 83 VAL C C 176.688 . . 924 93 83 VAL CA C 61.886 . . 925 93 83 VAL CB C 32.965 . . 926 93 83 VAL CG1 C 20.701 . . 927 93 83 VAL CG2 C 21.202 . . 928 93 83 VAL N N 126.846 . . 929 94 84 ILE H H 9.465 . . 930 94 84 ILE HA H 5.140 . . 931 94 84 ILE HB H 2.001 . . 932 94 84 ILE HG12 H 1.387 . . 933 94 84 ILE HG13 H 1.880 . . 934 94 84 ILE HG2 H 0.957 . . 935 94 84 ILE HD1 H 1.130 . . 936 94 84 ILE C C 175.217 . . 937 94 84 ILE CA C 60.220 . . 938 94 84 ILE CB C 41.028 . . 939 94 84 ILE CG1 C 28.672 . . 940 94 84 ILE CG2 C 18.314 . . 941 94 84 ILE CD1 C 13.976 . . 942 94 84 ILE N N 130.854 . . 943 95 85 THR H H 8.863 . . 944 95 85 THR HA H 5.183 . . 945 95 85 THR HB H 3.964 . . 946 95 85 THR HG2 H 1.062 . . 947 95 85 THR C C 173.242 . . 948 95 85 THR CA C 61.686 . . 949 95 85 THR CB C 69.727 . . 950 95 85 THR CG2 C 20.951 . . 951 95 85 THR N N 123.362 . . 952 96 86 VAL H H 8.931 . . 953 96 86 VAL HA H 4.652 . . 954 96 86 VAL HB H 1.728 . . 955 96 86 VAL HG1 H 0.178 . . 956 96 86 VAL HG2 H 0.679 . . 957 96 86 VAL C C 174.616 . . 958 96 86 VAL CA C 60.020 . . 959 96 86 VAL CB C 36.030 . . 960 96 86 VAL CG1 C 21.952 . . 961 96 86 VAL CG2 C 21.547 . . 962 96 86 VAL N N 126.681 . . 963 97 87 ASN H H 8.160 . . 964 97 87 ASN HA H 4.869 . . 965 97 87 ASN HB2 H 2.639 . . 966 97 87 ASN HB3 H 2.639 . . 967 97 87 ASN HD21 H 7.451 . . 968 97 87 ASN HD22 H 7.451 . . 969 97 87 ASN C C 173.323 . . 970 97 87 ASN CA C 51.750 . . 971 97 87 ASN CB C 37.710 . . 972 97 87 ASN N N 125.966 . . 973 97 87 ASN ND2 N 112.760 . . 974 98 88 ASN H H 7.985 . . 975 98 88 ASN HA H 5.338 . . 976 98 88 ASN HB2 H 2.917 . . 977 98 88 ASN HB3 H 2.182 . . 978 98 88 ASN HD21 H 7.850 . . 979 98 88 ASN HD22 H 7.137 . . 980 98 88 ASN C C 173.281 . . 981 98 88 ASN CA C 51.823 . . 982 98 88 ASN CB C 40.211 . . 983 98 88 ASN N N 119.992 . . 984 98 88 ASN ND2 N 110.081 . . 985 99 89 PRO HA H 4.270 . . 986 99 89 PRO HB2 H 2.274 . . 987 99 89 PRO HB3 H 2.089 . . 988 99 89 PRO HG2 H 1.933 . . 989 99 89 PRO HG3 H 1.933 . . 990 99 89 PRO HD2 H 3.615 . . 991 99 89 PRO HD3 H 3.784 . . 992 99 89 PRO C C 175.785 . . 993 99 89 PRO CA C 62.996 . . 994 99 89 PRO CB C 33.958 . . 995 99 89 PRO CG C 24.553 . . 996 99 89 PRO CD C 50.122 . . 997 100 90 GLN H H 7.888 . . 998 100 90 GLN HA H 4.687 . . 999 100 90 GLN HB2 H 2.129 . . 1000 100 90 GLN HB3 H 1.990 . . 1001 100 90 GLN HG2 H 2.336 . . 1002 100 90 GLN HG3 H 2.336 . . 1003 100 90 GLN C C 176.039 . . 1004 100 90 GLN CA C 53.930 . . 1005 100 90 GLN CB C 27.584 . . 1006 100 90 GLN CG C 33.724 . . 1007 100 90 GLN N N 121.600 . . 1008 101 91 PRO HA H 4.721 . . 1009 101 91 PRO HB2 H 2.072 . . 1010 101 91 PRO HB3 H 1.821 . . 1011 101 91 PRO HG2 H 2.114 . . 1012 101 91 PRO HG3 H 1.993 . . 1013 101 91 PRO HD2 H 3.642 . . 1014 101 91 PRO HD3 H 3.642 . . 1015 101 91 PRO C C 177.579 . . 1016 101 91 PRO CA C 64.152 . . 1017 101 91 PRO CB C 31.432 . . 1018 101 91 PRO CG C 27.586 . . 1019 101 91 PRO CD C 50.551 . . 1020 102 92 THR H H 9.158 . . 1021 102 92 THR HA H 4.417 . . 1022 102 92 THR HB H 3.967 . . 1023 102 92 THR HG2 H 0.943 . . 1024 102 92 THR C C 172.506 . . 1025 102 92 THR CA C 62.545 . . 1026 102 92 THR CB C 71.815 . . 1027 102 92 THR CG2 C 20.703 . . 1028 102 92 THR N N 123.209 . . 1029 103 93 THR H H 8.178 . . 1030 103 93 THR HA H 4.949 . . 1031 103 93 THR HB H 3.748 . . 1032 103 93 THR HG2 H 1.021 . . 1033 103 93 THR C C 173.281 . . 1034 103 93 THR CA C 61.755 . . 1035 103 93 THR CB C 70.518 . . 1036 103 93 THR CG2 C 22.452 . . 1037 103 93 THR N N 119.065 . . 1038 104 94 TYR H H 9.306 . . 1039 104 94 TYR HA H 4.247 . . 1040 104 94 TYR HB2 H 2.759 . . 1041 104 94 TYR HB3 H 2.393 . . 1042 104 94 TYR HD1 H 6.602 . . 1043 104 94 TYR HD2 H 6.602 . . 1044 104 94 TYR HE1 H 6.630 . . 1045 104 94 TYR HE2 H 6.630 . . 1046 104 94 TYR C C 173.222 . . 1047 104 94 TYR CA C 57.488 . . 1048 104 94 TYR CB C 41.028 . . 1049 104 94 TYR CD1 C 133.101 . . 1050 104 94 TYR CD2 C 133.101 . . 1051 104 94 TYR CE1 C 150.360 . . 1052 104 94 TYR CE2 C 150.360 . . 1053 104 94 TYR N N 125.073 . . 1054 105 95 ASN H H 8.262 . . 1055 105 95 ASN HA H 5.353 . . 1056 105 95 ASN HB2 H 2.694 . . 1057 105 95 ASN HB3 H 2.410 . . 1058 105 95 ASN HD21 H 6.910 . . 1059 105 95 ASN HD22 H 6.453 . . 1060 105 95 ASN C C 173.833 . . 1061 105 95 ASN CA C 52.189 . . 1062 105 95 ASN CB C 40.431 . . 1063 105 95 ASN N N 121.548 . . 1064 105 95 ASN ND2 N 111.253 . . 1065 106 96 PHE H H 9.731 . . 1066 106 96 PHE HA H 4.993 . . 1067 106 96 PHE HB2 H 3.021 . . 1068 106 96 PHE HB3 H 2.065 . . 1069 106 96 PHE HD1 H 6.736 . . 1070 106 96 PHE HD2 H 6.736 . . 1071 106 96 PHE HE1 H 6.869 . . 1072 106 96 PHE HE2 H 6.869 . . 1073 106 96 PHE C C 174.481 . . 1074 106 96 PHE CA C 56.220 . . 1075 106 96 PHE CB C 42.000 . . 1076 106 96 PHE CD1 C 131.100 . . 1077 106 96 PHE CD2 C 131.100 . . 1078 106 96 PHE CE1 C 131.100 . . 1079 106 96 PHE CE2 C 131.100 . . 1080 106 96 PHE N N 126.578 . . 1081 107 97 THR H H 9.154 . . 1082 107 97 THR HA H 4.720 . . 1083 107 97 THR HB H 3.912 . . 1084 107 97 THR HG2 H 1.065 . . 1085 107 97 THR C C 174.616 . . 1086 107 97 THR CA C 63.973 . . 1087 107 97 THR CB C 69.216 . . 1088 107 97 THR CG2 C 20.951 . . 1089 107 97 THR N N 118.445 . . 1090 108 98 PHE H H 9.010 . . 1091 108 98 PHE HA H 4.569 . . 1092 108 98 PHE HB2 H 3.484 . . 1093 108 98 PHE HB3 H 3.013 . . 1094 108 98 PHE HD1 H 7.365 . . 1095 108 98 PHE HD2 H 7.365 . . 1096 108 98 PHE HE1 H 7.331 . . 1097 108 98 PHE HE2 H 7.331 . . 1098 108 98 PHE C C 175.720 . . 1099 108 98 PHE CA C 57.555 . . 1100 108 98 PHE CB C 41.495 . . 1101 108 98 PHE CD1 C 132.100 . . 1102 108 98 PHE CD2 C 132.100 . . 1103 108 98 PHE CE1 C 132.850 . . 1104 108 98 PHE CE2 C 132.850 . . 1105 108 98 PHE N N 128.198 . . 1106 109 99 LYS H H 9.434 . . 1107 109 99 LYS HA H 4.111 . . 1108 109 99 LYS HB2 H 2.057 . . 1109 109 99 LYS HB3 H 1.964 . . 1110 109 99 LYS HG2 H 1.572 . . 1111 109 99 LYS HG3 H 1.657 . . 1112 109 99 LYS HD2 H 1.780 . . 1113 109 99 LYS HD3 H 1.787 . . 1114 109 99 LYS HE2 H 3.063 . . 1115 109 99 LYS HE3 H 3.063 . . 1116 109 99 LYS C C 176.475 . . 1117 109 99 LYS CA C 58.421 . . 1118 109 99 LYS CB C 33.098 . . 1119 109 99 LYS CG C 25.253 . . 1120 109 99 LYS CD C 29.206 . . 1121 109 99 LYS CE C 42.195 . . 1122 109 99 LYS N N 117.604 . . 1123 110 100 SER H H 7.539 . . 1124 110 100 SER HA H 4.962 . . 1125 110 100 SER HB2 H 3.946 . . 1126 110 100 SER HB3 H 4.267 . . 1127 110 100 SER C C 172.326 . . 1128 110 100 SER CA C 55.469 . . 1129 110 100 SER CB C 64.474 . . 1130 110 100 SER N N 108.361 . . 1131 111 101 PRO HA H 4.494 . . 1132 111 101 PRO HB2 H 2.361 . . 1133 111 101 PRO HB3 H 1.993 . . 1134 111 101 PRO HG2 H 2.195 . . 1135 111 101 PRO HG3 H 2.195 . . 1136 111 101 PRO HD2 H 4.003 . . 1137 111 101 PRO HD3 H 4.003 . . 1138 111 101 PRO C C 178.500 . . 1139 111 101 PRO CA C 64.822 . . 1140 111 101 PRO CB C 31.814 . . 1141 111 101 PRO CG C 28.284 . . 1142 111 101 PRO CD C 51.210 . . 1143 112 102 GLY H H 8.506 . . 1144 112 102 GLY HA2 H 3.864 . . 1145 112 102 GLY HA3 H 3.864 . . 1146 112 102 GLY C C 177.164 . . 1147 112 102 GLY CA C 47.004 . . 1148 112 102 GLY N N 130.367 . . 1149 113 103 GLU H H 7.774 . . 1150 113 103 GLU HA H 4.127 . . 1151 113 103 GLU HB2 H 2.295 . . 1152 113 103 GLU HB3 H 2.199 . . 1153 113 103 GLU HG2 H 2.333 . . 1154 113 103 GLU HG3 H 2.454 . . 1155 113 103 GLU C C 177.992 . . 1156 113 103 GLU CA C 59.471 . . 1157 113 103 GLU CB C 30.865 . . 1158 113 103 GLU CG C 38.210 . . 1159 113 103 GLU N N 122.112 . . 1160 114 104 ARG H H 7.326 . . 1161 114 104 ARG HA H 2.233 . . 1162 114 104 ARG HB2 H 1.700 . . 1163 114 104 ARG HB3 H 1.700 . . 1164 114 104 ARG HG2 H 1.387 . . 1165 114 104 ARG HG3 H 1.387 . . 1166 114 104 ARG HD2 H 2.969 . . 1167 114 104 ARG HD3 H 2.969 . . 1168 114 104 ARG HE H 6.596 . . 1169 114 104 ARG C C 177.928 . . 1170 114 104 ARG CA C 59.471 . . 1171 114 104 ARG CB C 27.360 . . 1172 114 104 ARG CG C 27.196 . . 1173 114 104 ARG CD C 42.131 . . 1174 114 104 ARG N N 120.835 . . 1175 114 104 ARG NE N 107.737 . . 1176 115 105 GLU H H 8.776 . . 1177 115 105 GLU HA H 3.817 . . 1178 115 105 GLU HB2 H 2.120 . . 1179 115 105 GLU HB3 H 2.040 . . 1180 115 105 GLU HG2 H 2.322 . . 1181 115 105 GLU HG3 H 2.237 . . 1182 115 105 GLU C C 179.070 . . 1183 115 105 GLU CA C 59.722 . . 1184 115 105 GLU CB C 30.033 . . 1185 115 105 GLU CG C 35.959 . . 1186 115 105 GLU N N 119.336 . . 1187 116 106 SER H H 7.977 . . 1188 116 106 SER HA H 4.278 . . 1189 116 106 SER HB2 H 4.006 . . 1190 116 106 SER HB3 H 3.970 . . 1191 116 106 SER C C 175.955 . . 1192 116 106 SER CA C 61.536 . . 1193 116 106 SER CB C 63.142 . . 1194 116 106 SER N N 113.901 . . 1195 117 107 TRP H H 7.908 . . 1196 117 107 TRP HA H 3.953 . . 1197 117 107 TRP HB2 H 2.910 . . 1198 117 107 TRP HB3 H 2.834 . . 1199 117 107 TRP HD1 H 7.098 . . 1200 117 107 TRP HE1 H 11.056 . . 1201 117 107 TRP HE3 H 6.568 . . 1202 117 107 TRP HZ2 H 6.439 . . 1203 117 107 TRP HZ3 H 7.008 . . 1204 117 107 TRP HH2 H 6.604 . . 1205 117 107 TRP C C 178.289 . . 1206 117 107 TRP CA C 63.223 . . 1207 117 107 TRP CB C 31.084 . . 1208 117 107 TRP CD1 C 126.097 . . 1209 117 107 TRP CE3 C 152.358 . . 1210 117 107 TRP CZ2 C 124.596 . . 1211 117 107 TRP CZ3 C 153.361 . . 1212 117 107 TRP CH2 C 123.596 . . 1213 117 107 TRP N N 124.488 . . 1214 117 107 TRP NE1 N 131.000 . . 1215 118 108 GLN H H 8.838 . . 1216 118 108 GLN HA H 3.819 . . 1217 118 108 GLN HB2 H 2.314 . . 1218 118 108 GLN HB3 H 2.314 . . 1219 118 108 GLN HG2 H 2.017 . . 1220 118 108 GLN HG3 H 2.017 . . 1221 118 108 GLN HE21 H 7.053 . . 1222 118 108 GLN HE22 H 6.621 . . 1223 118 108 GLN C C 177.908 . . 1224 118 108 GLN CA C 59.721 . . 1225 118 108 GLN CB C 28.706 . . 1226 118 108 GLN CG C 32.169 . . 1227 118 108 GLN N N 117.866 . . 1228 118 108 GLN NE2 N 107.151 . . 1229 119 109 GLU H H 8.026 . . 1230 119 109 GLU HA H 4.018 . . 1231 119 109 GLU HB2 H 2.172 . . 1232 119 109 GLU HB3 H 2.172 . . 1233 119 109 GLU HG2 H 2.413 . . 1234 119 109 GLU HG3 H 2.225 . . 1235 119 109 GLU C C 179.986 . . 1236 119 109 GLU CA C 59.345 . . 1237 119 109 GLU CB C 29.206 . . 1238 119 109 GLU CG C 35.959 . . 1239 119 109 GLU N N 118.503 . . 1240 120 110 GLN H H 7.988 . . 1241 120 110 GLN HA H 4.048 . . 1242 120 110 GLN HB2 H 2.036 . . 1243 120 110 GLN HB3 H 2.036 . . 1244 120 110 GLN HG2 H 2.650 . . 1245 120 110 GLN HG3 H 2.650 . . 1246 120 110 GLN HE21 H 7.310 . . 1247 120 110 GLN HE22 H 6.782 . . 1248 120 110 GLN C C 178.246 . . 1249 120 110 GLN CA C 58.471 . . 1250 120 110 GLN CB C 27.725 . . 1251 120 110 GLN CG C 33.335 . . 1252 120 110 GLN N N 118.872 . . 1253 120 110 GLN NE2 N 111.860 . . 1254 121 111 ILE H H 8.907 . . 1255 121 111 ILE HA H 3.837 . . 1256 121 111 ILE HB H 0.909 . . 1257 121 111 ILE HG12 H 1.094 . . 1258 121 111 ILE HG13 H 1.093 . . 1259 121 111 ILE HG2 H 1.127 . . 1260 121 111 ILE HD1 H 0.594 . . 1261 121 111 ILE C C 176.921 . . 1262 121 111 ILE CA C 61.220 . . 1263 121 111 ILE CB C 36.030 . . 1264 121 111 ILE CG1 C 29.710 . . 1265 121 111 ILE CG2 C 19.951 . . 1266 121 111 ILE CD1 C 13.698 . . 1267 121 111 ILE N N 120.761 . . 1268 122 112 GLN H H 7.548 . . 1269 122 112 GLN HA H 4.513 . . 1270 122 112 GLN HB2 H 2.166 . . 1271 122 112 GLN HB3 H 2.100 . . 1272 122 112 GLN HG2 H 2.690 . . 1273 122 112 GLN HG3 H 2.690 . . 1274 122 112 GLN HE21 H 7.164 . . 1275 122 112 GLN HE22 H 7.099 . . 1276 122 112 GLN C C 179.053 . . 1277 122 112 GLN CA C 58.721 . . 1278 122 112 GLN CB C 29.039 . . 1279 122 112 GLN CG C 36.209 . . 1280 122 112 GLN N N 121.414 . . 1281 122 112 GLN NE2 N 110.862 . . 1282 123 113 SER H H 7.907 . . 1283 123 113 SER HA H 4.277 . . 1284 123 113 SER HB2 H 4.270 . . 1285 123 113 SER HB3 H 4.088 . . 1286 123 113 SER C C 177.063 . . 1287 123 113 SER CA C 61.472 . . 1288 123 113 SER CB C 62.558 . . 1289 123 113 SER N N 115.951 . . 1290 124 114 LEU H H 8.538 . . 1291 124 114 LEU HA H 3.389 . . 1292 124 114 LEU HB2 H 1.648 . . 1293 124 114 LEU HB3 H 0.577 . . 1294 124 114 LEU HG H 0.618 . . 1295 124 114 LEU HD1 H 0.612 . . 1296 124 114 LEU HD2 H 0.604 . . 1297 124 114 LEU C C 178.225 . . 1298 124 114 LEU CA C 58.177 . . 1299 124 114 LEU CB C 40.796 . . 1300 124 114 LEU CG C 25.954 . . 1301 124 114 LEU CD1 C 22.952 . . 1302 124 114 LEU CD2 C 22.843 . . 1303 124 114 LEU N N 124.968 . . 1304 125 115 MET H H 8.405 . . 1305 125 115 MET HA H 3.543 . . 1306 125 115 MET HB2 H 2.299 . . 1307 125 115 MET HB3 H 2.132 . . 1308 125 115 MET HG2 H 2.546 . . 1309 125 115 MET HG3 H 2.451 . . 1310 125 115 MET HE H 1.997 . . 1311 125 115 MET C C 179.159 . . 1312 125 115 MET CA C 59.722 . . 1313 125 115 MET CB C 34.516 . . 1314 125 115 MET CG C 31.207 . . 1315 125 115 MET CE C 47.465 . . 1316 125 115 MET N N 117.683 . . 1317 126 116 LYS H H 7.484 . . 1318 126 116 LYS HA H 4.024 . . 1319 126 116 LYS HB2 H 1.966 . . 1320 126 116 LYS HB3 H 1.966 . . 1321 126 116 LYS HG2 H 1.576 . . 1322 126 116 LYS HG3 H 1.576 . . 1323 126 116 LYS HD2 H 1.715 . . 1324 126 116 LYS HD3 H 1.715 . . 1325 126 116 LYS HE2 H 2.995 . . 1326 126 116 LYS HE3 H 2.995 . . 1327 126 116 LYS C C 179.225 . . 1328 126 116 LYS CA C 59.471 . . 1329 126 116 LYS CB C 32.252 . . 1330 126 116 LYS CG C 25.140 . . 1331 126 116 LYS CD C 29.202 . . 1332 126 116 LYS CE C 42.301 . . 1333 126 116 LYS N N 119.003 . . 1334 127 117 PHE H H 8.638 . . 1335 127 117 PHE HA H 4.302 . . 1336 127 117 PHE HB2 H 3.504 . . 1337 127 117 PHE HB3 H 3.106 . . 1338 127 117 PHE HD1 H 7.236 . . 1339 127 117 PHE HD2 H 7.236 . . 1340 127 117 PHE HE1 H 6.162 . . 1341 127 117 PHE HE2 H 6.162 . . 1342 127 117 PHE HZ H 6.902 . . 1343 127 117 PHE C C 178.528 . . 1344 127 117 PHE CA C 61.222 . . 1345 127 117 PHE CB C 39.895 . . 1346 127 117 PHE CD1 C 132.350 . . 1347 127 117 PHE CD2 C 132.350 . . 1348 127 117 PHE CE1 C 149.609 . . 1349 127 117 PHE CE2 C 149.609 . . 1350 127 117 PHE CZ C 165.611 . . 1351 127 117 PHE N N 122.820 . . 1352 128 118 MET H H 8.616 . . 1353 128 118 MET HA H 4.392 . . 1354 128 118 MET HB2 H 2.093 . . 1355 128 118 MET HB3 H 1.909 . . 1356 128 118 MET HG2 H 2.678 . . 1357 128 118 MET HG3 H 2.654 . . 1358 128 118 MET C C 177.947 . . 1359 128 118 MET CA C 55.022 . . 1360 128 118 MET CB C 30.099 . . 1361 128 118 MET CG C 33.081 . . 1362 128 118 MET N N 115.585 . . 1363 129 119 SER H H 7.575 . . 1364 129 119 SER HA H 4.398 . . 1365 129 119 SER HB2 H 4.015 . . 1366 129 119 SER HB3 H 4.015 . . 1367 129 119 SER C C 174.405 . . 1368 129 119 SER CA C 59.564 . . 1369 129 119 SER CB C 64.019 . . 1370 129 119 SER N N 114.162 . . 1371 130 120 MET H H 7.424 . . 1372 130 120 MET HA H 4.424 . . 1373 130 120 MET HB2 H 2.109 . . 1374 130 120 MET HB3 H 1.981 . . 1375 130 120 MET HG2 H 2.658 . . 1376 130 120 MET HG3 H 2.530 . . 1377 130 120 MET C C 174.872 . . 1378 130 120 MET CA C 55.767 . . 1379 130 120 MET CB C 32.325 . . 1380 130 120 MET CG C 32.207 . . 1381 130 120 MET N N 121.578 . . 1382 131 121 LYS H H 7.739 . . 1383 131 121 LYS HA H 4.048 . . 1384 131 121 LYS HB2 H 1.663 . . 1385 131 121 LYS HB3 H 1.773 . . 1386 131 121 LYS HG2 H 1.351 . . 1387 131 121 LYS HG3 H 1.351 . . 1388 131 121 LYS HD2 H 1.628 . . 1389 131 121 LYS HD3 H 1.628 . . 1390 131 121 LYS HE2 H 2.965 . . 1391 131 121 LYS HE3 H 2.965 . . 1392 131 121 LYS C C 181.217 . . 1393 131 121 LYS CA C 57.739 . . 1394 131 121 LYS CB C 33.708 . . 1395 131 121 LYS CG C 24.609 . . 1396 131 121 LYS CD C 29.202 . . 1397 131 121 LYS CE C 42.216 . . 1398 131 121 LYS N N 127.659 . . stop_ save_