data_34202 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; PH domain from PfAPH ; _BMRB_accession_number 34202 _BMRB_flat_file_name bmr34202.str _Entry_type original _Submission_date 2017-11-23 _Accession_date 2017-11-23 _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" 763 "13C chemical shifts" 557 "15N chemical shifts" 122 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-12-04 original BMRB . stop_ _Original_release_date 2017-12-15 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; C-terminal PH domain from P. falciparum acylated plekstrin homology domain containing protein (APH) ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Darvill N. . . 2 Matthews S. . . 3 Liu B. . . 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_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _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 13905.197 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; SAKDIKDEKIQQYRKTLTKI VKIKTAIFHETVKVTCSKDG KMLEWYKGKNDSDGKKKPIG SFPLNKITSIRTKVDNLKSL EISVSSVHISTYLFTFKTRE ERESWQNNLESFRKIMSMK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 12 SER 2 13 ALA 3 14 LYS 4 15 ASP 5 16 ILE 6 17 LYS 7 18 ASP 8 19 GLU 9 20 LYS 10 21 ILE 11 22 GLN 12 23 GLN 13 24 TYR 14 25 ARG 15 26 LYS 16 27 THR 17 28 LEU 18 29 THR 19 30 LYS 20 31 ILE 21 32 VAL 22 33 LYS 23 34 ILE 24 35 LYS 25 36 THR 26 37 ALA 27 38 ILE 28 39 PHE 29 40 HIS 30 41 GLU 31 42 THR 32 43 VAL 33 44 LYS 34 45 VAL 35 46 THR 36 47 CYS 37 48 SER 38 49 LYS 39 50 ASP 40 51 GLY 41 52 LYS 42 53 MET 43 54 LEU 44 55 GLU 45 56 TRP 46 57 TYR 47 58 LYS 48 59 GLY 49 60 LYS 50 61 ASN 51 62 ASP 52 63 SER 53 64 ASP 54 65 GLY 55 66 LYS 56 67 LYS 57 68 LYS 58 69 PRO 59 70 ILE 60 71 GLY 61 72 SER 62 73 PHE 63 74 PRO 64 75 LEU 65 76 ASN 66 77 LYS 67 78 ILE 68 79 THR 69 80 SER 70 81 ILE 71 82 ARG 72 83 THR 73 84 LYS 74 85 VAL 75 86 ASP 76 87 ASN 77 88 LEU 78 89 LYS 79 90 SER 80 91 LEU 81 92 GLU 82 93 ILE 83 94 SER 84 95 VAL 85 96 SER 86 97 SER 87 98 VAL 88 99 HIS 89 100 ILE 90 101 SER 91 102 THR 92 103 TYR 93 104 LEU 94 105 PHE 95 106 THR 96 107 PHE 97 108 LYS 98 109 THR 99 110 ARG 100 111 GLU 101 112 GLU 102 113 ARG 103 114 GLU 104 115 SER 105 116 TRP 106 117 GLN 107 118 ASN 108 119 ASN 109 120 LEU 110 121 GLU 111 122 SER 112 123 PHE 113 124 ARG 114 125 LYS 115 126 ILE 116 127 MET 117 128 SER 118 129 MET 119 130 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 _Gene_mnemonic _Details $entity_1 'Plasmodium falciparum' 1036725 Eukaryota . Plasmodium falciparum PFTANZ_00863 2000708 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 '830 uM [U-100% 15N]; [U-100% 13C] C-terminal PH domain from PfAPH, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 830 uM '[U-100% 15N; U-100% 13C]' NaCl 300 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _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_2 _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _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_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_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' 300 . mM pH 6.5 . 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 1H-15N NOESY' '3D H(CCO)NH' '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 12 1 SER H H 8.526 . . 2 12 1 SER HA H 4.494 . . 3 12 1 SER HB2 H 3.978 . . 4 12 1 SER HB3 H 3.934 . . 5 12 1 SER C C 174.645 . . 6 12 1 SER CA C 58.221 . . 7 12 1 SER CB C 64.222 . . 8 12 1 SER N N 120.273 . . 9 13 2 ALA H H 8.373 . . 10 13 2 ALA HA H 4.290 . . 11 13 2 ALA HB H 1.462 . . 12 13 2 ALA C C 178.368 . . 13 13 2 ALA CA C 53.468 . . 14 13 2 ALA CB C 19.026 . . 15 13 2 ALA N N 125.800 . . 16 14 3 LYS H H 8.235 . . 17 14 3 LYS HA H 4.224 . . 18 14 3 LYS HB2 H 1.833 . . 19 14 3 LYS HB3 H 1.833 . . 20 14 3 LYS HG2 H 1.464 . . 21 14 3 LYS HG3 H 1.464 . . 22 14 3 LYS HD2 H 1.709 . . 23 14 3 LYS HD3 H 1.709 . . 24 14 3 LYS HE2 H 3.012 . . 25 14 3 LYS HE3 H 3.012 . . 26 14 3 LYS C C 176.679 . . 27 14 3 LYS CA C 57.479 . . 28 14 3 LYS CB C 32.988 . . 29 14 3 LYS CG C 24.820 . . 30 14 3 LYS CD C 29.307 . . 31 14 3 LYS CE C 42.255 . . 32 14 3 LYS N N 119.511 . . 33 15 4 ASP H H 8.321 . . 34 15 4 ASP HA H 4.614 . . 35 15 4 ASP HB2 H 2.791 . . 36 15 4 ASP HB3 H 2.723 . . 37 15 4 ASP C C 177.043 . . 38 15 4 ASP CA C 54.941 . . 39 15 4 ASP CB C 41.178 . . 40 15 4 ASP N N 120.083 . . 41 16 5 ILE H H 8.028 . . 42 16 5 ILE HA H 4.077 . . 43 16 5 ILE HB H 1.966 . . 44 16 5 ILE HG12 H 1.587 . . 45 16 5 ILE HG13 H 1.274 . . 46 16 5 ILE HG2 H 0.986 . . 47 16 5 ILE HD1 H 0.902 . . 48 16 5 ILE C C 177.097 . . 49 16 5 ILE CA C 62.544 . . 50 16 5 ILE CB C 38.229 . . 51 16 5 ILE CG1 C 27.955 . . 52 16 5 ILE CG2 C 17.603 . . 53 16 5 ILE CD1 C 13.172 . . 54 16 5 ILE N N 121.798 . . 55 17 6 LYS H H 8.248 . . 56 17 6 LYS HA H 4.164 . . 57 17 6 LYS HB2 H 1.908 . . 58 17 6 LYS HB3 H 1.908 . . 59 17 6 LYS HG2 H 1.459 . . 60 17 6 LYS HG3 H 1.459 . . 61 17 6 LYS HD2 H 1.726 . . 62 17 6 LYS HD3 H 1.701 . . 63 17 6 LYS HE2 H 3.019 . . 64 17 6 LYS HE3 H 3.019 . . 65 17 6 LYS C C 177.569 . . 66 17 6 LYS CA C 58.415 . . 67 17 6 LYS CB C 32.457 . . 68 17 6 LYS CG C 24.852 . . 69 17 6 LYS CD C 29.146 . . 70 17 6 LYS CE C 42.297 . . 71 17 6 LYS N N 123.704 . . 72 18 7 ASP H H 8.324 . . 73 18 7 ASP HA H 4.654 . . 74 18 7 ASP HB2 H 2.852 . . 75 18 7 ASP HB3 H 2.764 . . 76 18 7 ASP C C 178.259 . . 77 18 7 ASP CA C 56.720 . . 78 18 7 ASP CB C 38.711 . . 79 18 7 ASP N N 119.993 . . 80 19 8 GLU H H 8.448 . . 81 19 8 GLU HA H 4.115 . . 82 19 8 GLU HB2 H 2.163 . . 83 19 8 GLU HB3 H 2.163 . . 84 19 8 GLU HG2 H 2.390 . . 85 19 8 GLU HG3 H 2.304 . . 86 19 8 GLU C C 178.949 . . 87 19 8 GLU CA C 59.529 . . 88 19 8 GLU CB C 29.456 . . 89 19 8 GLU CG C 36.223 . . 90 19 8 GLU N N 120.912 . . 91 20 9 LYS H H 8.237 . . 92 20 9 LYS HA H 4.143 . . 93 20 9 LYS HB2 H 1.969 . . 94 20 9 LYS HB3 H 1.969 . . 95 20 9 LYS HG2 H 1.489 . . 96 20 9 LYS HG3 H 1.489 . . 97 20 9 LYS HD2 H 1.749 . . 98 20 9 LYS HD3 H 1.749 . . 99 20 9 LYS HE2 H 3.015 . . 100 20 9 LYS HE3 H 3.015 . . 101 20 9 LYS C C 179.294 . . 102 20 9 LYS CA C 59.910 . . 103 20 9 LYS CB C 32.207 . . 104 20 9 LYS CG C 24.954 . . 105 20 9 LYS CD C 29.146 . . 106 20 9 LYS CE C 42.258 . . 107 20 9 LYS N N 119.511 . . 108 21 10 ILE H H 8.324 . . 109 21 10 ILE HA H 3.879 . . 110 21 10 ILE HB H 2.100 . . 111 21 10 ILE HG12 H 1.950 . . 112 21 10 ILE HG13 H 1.301 . . 113 21 10 ILE HG2 H 0.968 . . 114 21 10 ILE HD1 H 0.924 . . 115 21 10 ILE C C 177.914 . . 116 21 10 ILE CA C 66.345 . . 117 21 10 ILE CB C 37.960 . . 118 21 10 ILE CG1 C 29.706 . . 119 21 10 ILE CG2 C 17.225 . . 120 21 10 ILE CD1 C 13.900 . . 121 21 10 ILE N N 119.838 . . 122 22 11 GLN H H 8.075 . . 123 22 11 GLN HA H 4.021 . . 124 22 11 GLN HB2 H 2.195 . . 125 22 11 GLN HB3 H 2.195 . . 126 22 11 GLN HG2 H 2.585 . . 127 22 11 GLN HG3 H 2.562 . . 128 22 11 GLN C C 178.931 . . 129 22 11 GLN CA C 58.808 . . 130 22 11 GLN CB C 27.743 . . 131 22 11 GLN CG C 33.424 . . 132 22 11 GLN N N 116.652 . . 133 23 12 GLN H H 7.878 . . 134 23 12 GLN HA H 4.041 . . 135 23 12 GLN HB2 H 2.190 . . 136 23 12 GLN HB3 H 2.045 . . 137 23 12 GLN HG2 H 2.402 . . 138 23 12 GLN HG3 H 2.555 . . 139 23 12 GLN C C 179.131 . . 140 23 12 GLN CA C 58.721 . . 141 23 12 GLN CB C 28.200 . . 142 23 12 GLN CG C 33.300 . . 143 23 12 GLN N N 119.053 . . 144 24 13 TYR H H 8.251 . . 145 24 13 TYR HA H 4.042 . . 146 24 13 TYR HB2 H 2.435 . . 147 24 13 TYR HB3 H 2.011 . . 148 24 13 TYR HD1 H 7.062 . . 149 24 13 TYR HD2 H 7.062 . . 150 24 13 TYR HE1 H 6.876 . . 151 24 13 TYR HE2 H 6.876 . . 152 24 13 TYR C C 177.842 . . 153 24 13 TYR CA C 62.347 . . 154 24 13 TYR CB C 37.710 . . 155 24 13 TYR CD1 C 132.460 . . 156 24 13 TYR CD2 C 132.460 . . 157 24 13 TYR CE1 C 118.452 . . 158 24 13 TYR CE2 C 118.452 . . 159 24 13 TYR N N 118.768 . . 160 25 14 ARG H H 8.708 . . 161 25 14 ARG HA H 3.842 . . 162 25 14 ARG HB2 H 1.913 . . 163 25 14 ARG HB3 H 1.644 . . 164 25 14 ARG HG2 H 1.421 . . 165 25 14 ARG HG3 H 1.421 . . 166 25 14 ARG HD2 H 3.080 . . 167 25 14 ARG HD3 H 3.080 . . 168 25 14 ARG C C 178.858 . . 169 25 14 ARG CA C 60.222 . . 170 25 14 ARG CB C 30.193 . . 171 25 14 ARG CG C 27.813 . . 172 25 14 ARG CD C 43.920 . . 173 25 14 ARG N N 120.130 . . 174 26 15 LYS H H 7.436 . . 175 26 15 LYS HA H 4.140 . . 176 26 15 LYS HB2 H 1.996 . . 177 26 15 LYS HB3 H 1.996 . . 178 26 15 LYS HG2 H 1.621 . . 179 26 15 LYS HG3 H 1.621 . . 180 26 15 LYS HD2 H 1.710 . . 181 26 15 LYS HD3 H 1.710 . . 182 26 15 LYS HE2 H 3.016 . . 183 26 15 LYS HE3 H 3.016 . . 184 26 15 LYS C C 179.549 . . 185 26 15 LYS CA C 59.972 . . 186 26 15 LYS CB C 32.312 . . 187 26 15 LYS CG C 24.953 . . 188 26 15 LYS CD C 29.313 . . 189 26 15 LYS CE C 42.203 . . 190 26 15 LYS N N 118.046 . . 191 27 16 THR H H 7.825 . . 192 27 16 THR HA H 4.114 . . 193 27 16 THR HB H 4.116 . . 194 27 16 THR HG2 H 1.171 . . 195 27 16 THR C C 176.244 . . 196 27 16 THR CA C 65.224 . . 197 27 16 THR CB C 69.098 . . 198 27 16 THR CG2 C 22.452 . . 199 27 16 THR N N 114.176 . . 200 28 17 LEU H H 8.233 . . 201 28 17 LEU HA H 4.528 . . 202 28 17 LEU HB2 H 1.810 . . 203 28 17 LEU HB3 H 1.482 . . 204 28 17 LEU HG H 0.285 . . 205 28 17 LEU HD1 H -0.077 . . 206 28 17 LEU HD2 H -0.077 . . 207 28 17 LEU C C 177.242 . . 208 28 17 LEU CA C 55.072 . . 209 28 17 LEU CB C 42.489 . . 210 28 17 LEU CG C 25.954 . . 211 28 17 LEU CD1 C 21.679 . . 212 28 17 LEU CD2 C 21.648 . . 213 28 17 LEU N N 119.511 . . 214 29 18 THR H H 7.338 . . 215 29 18 THR HA H 5.824 . . 216 29 18 THR HB H 4.463 . . 217 29 18 THR HG2 H 1.321 . . 218 29 18 THR C C 175.172 . . 219 29 18 THR CA C 63.003 . . 220 29 18 THR CB C 68.967 . . 221 29 18 THR CG2 C 20.701 . . 222 29 18 THR N N 116.467 . . 223 30 19 LYS H H 8.666 . . 224 30 19 LYS HA H 4.892 . . 225 30 19 LYS HB2 H 1.807 . . 226 30 19 LYS HB3 H 1.582 . . 227 30 19 LYS HG2 H 1.652 . . 228 30 19 LYS HG3 H 1.563 . . 229 30 19 LYS HD2 H 2.152 . . 230 30 19 LYS HD3 H 1.970 . . 231 30 19 LYS HE2 H 3.325 . . 232 30 19 LYS HE3 H 3.325 . . 233 30 19 LYS C C 174.119 . . 234 30 19 LYS CA C 54.043 . . 235 30 19 LYS CB C 37.960 . . 236 30 19 LYS CG C 25.614 . . 237 30 19 LYS CD C 28.455 . . 238 30 19 LYS CE C 42.430 . . 239 30 19 LYS N N 129.163 . . 240 31 20 ILE H H 8.419 . . 241 31 20 ILE HA H 5.037 . . 242 31 20 ILE HB H 1.934 . . 243 31 20 ILE HG12 H 1.587 . . 244 31 20 ILE HG13 H 1.399 . . 245 31 20 ILE HG2 H 0.815 . . 246 31 20 ILE HD1 H 0.857 . . 247 31 20 ILE C C 175.953 . . 248 31 20 ILE CA C 59.971 . . 249 31 20 ILE CB C 35.959 . . 250 31 20 ILE CG1 C 27.454 . . 251 31 20 ILE CG2 C 17.654 . . 252 31 20 ILE CD1 C 10.946 . . 253 31 20 ILE N N 123.261 . . 254 32 21 VAL H H 9.139 . . 255 32 21 VAL HA H 4.394 . . 256 32 21 VAL HB H 1.389 . . 257 32 21 VAL HG1 H 0.009 . . 258 32 21 VAL HG2 H 0.141 . . 259 32 21 VAL C C 173.175 . . 260 32 21 VAL CA C 59.228 . . 261 32 21 VAL CB C 36.328 . . 262 32 21 VAL CG1 C 22.036 . . 263 32 21 VAL CG2 C 19.701 . . 264 32 21 VAL N N 123.513 . . 265 33 22 LYS H H 7.727 . . 266 33 22 LYS HA H 5.005 . . 267 33 22 LYS HB2 H 1.689 . . 268 33 22 LYS HB3 H 1.557 . . 269 33 22 LYS HG2 H 1.323 . . 270 33 22 LYS HG3 H 1.261 . . 271 33 22 LYS HD2 H 1.496 . . 272 33 22 LYS HD3 H 1.430 . . 273 33 22 LYS HE2 H 2.737 . . 274 33 22 LYS HE3 H 2.669 . . 275 33 22 LYS C C 175.808 . . 276 33 22 LYS CA C 55.400 . . 277 33 22 LYS CB C 33.903 . . 278 33 22 LYS CG C 24.953 . . 279 33 22 LYS CD C 29.281 . . 280 33 22 LYS CE C 41.267 . . 281 33 22 LYS N N 120.083 . . 282 34 23 ILE H H 8.680 . . 283 34 23 ILE HA H 4.882 . . 284 34 23 ILE HB H 1.053 . . 285 34 23 ILE HG12 H 0.071 . . 286 34 23 ILE HG13 H 0.541 . . 287 34 23 ILE HG2 H 0.548 . . 288 34 23 ILE HD1 H -0.691 . . 289 34 23 ILE C C 173.029 . . 290 34 23 ILE CA C 59.548 . . 291 34 23 ILE CB C 41.304 . . 292 34 23 ILE CG1 C 27.492 . . 293 34 23 ILE CG2 C 16.670 . . 294 34 23 ILE CD1 C 13.003 . . 295 34 23 ILE N N 125.038 . . 296 35 24 LYS H H 8.764 . . 297 35 24 LYS HA H 5.143 . . 298 35 24 LYS HB2 H 1.705 . . 299 35 24 LYS HB3 H 1.273 . . 300 35 24 LYS HG2 H 1.116 . . 301 35 24 LYS HG3 H 1.116 . . 302 35 24 LYS HD2 H 1.212 . . 303 35 24 LYS HD3 H 1.147 . . 304 35 24 LYS HE2 H 2.652 . . 305 35 24 LYS HE3 H 2.652 . . 306 35 24 LYS C C 176.080 . . 307 35 24 LYS CA C 55.219 . . 308 35 24 LYS CB C 36.422 . . 309 35 24 LYS CG C 25.109 . . 310 35 24 LYS CD C 29.329 . . 311 35 24 LYS CE C 41.990 . . 312 35 24 LYS N N 127.587 . . 313 36 25 THR H H 9.277 . . 314 36 25 THR HA H 4.614 . . 315 36 25 THR HB H 4.451 . . 316 36 25 THR HG2 H 1.062 . . 317 36 25 THR C C 173.937 . . 318 36 25 THR CA C 59.267 . . 319 36 25 THR CB C 71.978 . . 320 36 25 THR CG2 C 22.952 . . 321 36 25 THR N N 120.125 . . 322 37 26 ALA H H 8.558 . . 323 37 26 ALA HA H 4.130 . . 324 37 26 ALA HB H 1.470 . . 325 37 26 ALA C C 178.150 . . 326 37 26 ALA CA C 54.745 . . 327 37 26 ALA CB C 18.700 . . 328 37 26 ALA N N 120.845 . . 329 38 27 ILE H H 7.524 . . 330 38 27 ILE HA H 4.525 . . 331 38 27 ILE HB H 2.078 . . 332 38 27 ILE HG12 H 1.309 . . 333 38 27 ILE HG13 H 1.309 . . 334 38 27 ILE HG2 H 0.871 . . 335 38 27 ILE HD1 H 0.927 . . 336 38 27 ILE C C 175.154 . . 337 38 27 ILE CA C 60.717 . . 338 38 27 ILE CB C 40.129 . . 339 38 27 ILE CG1 C 26.454 . . 340 38 27 ILE CG2 C 17.564 . . 341 38 27 ILE CD1 C 13.448 . . 342 38 27 ILE N N 107.885 . . 343 39 28 PHE H H 7.524 . . 344 39 28 PHE HA H 4.912 . . 345 39 28 PHE HB2 H 3.127 . . 346 39 28 PHE HB3 H 3.090 . . 347 39 28 PHE HD1 H 7.234 . . 348 39 28 PHE HD2 H 7.240 . . 349 39 28 PHE HE1 H 7.337 . . 350 39 28 PHE HE2 H 7.337 . . 351 39 28 PHE C C 173.193 . . 352 39 28 PHE CA C 57.220 . . 353 39 28 PHE CB C 42.815 . . 354 39 28 PHE CD1 C 132.209 . . 355 39 28 PHE CD2 C 132.209 . . 356 39 28 PHE N N 122.576 . . 357 40 29 HIS H H 8.616 . . 358 40 29 HIS HA H 5.687 . . 359 40 29 HIS HB2 H 3.044 . . 360 40 29 HIS HB3 H 3.146 . . 361 40 29 HIS HD2 H 6.814 . . 362 40 29 HIS C C 173.937 . . 363 40 29 HIS CA C 53.718 . . 364 40 29 HIS CB C 30.206 . . 365 40 29 HIS CD2 C 121.204 . . 366 40 29 HIS N N 123.900 . . 367 41 30 GLU H H 8.260 . . 368 41 30 GLU HA H 4.616 . . 369 41 30 GLU HB2 H 1.926 . . 370 41 30 GLU HB3 H 1.563 . . 371 41 30 GLU HG2 H 2.024 . . 372 41 30 GLU HG3 H 2.024 . . 373 41 30 GLU C C 174.791 . . 374 41 30 GLU CA C 55.007 . . 375 41 30 GLU CB C 34.459 . . 376 41 30 GLU CG C 35.632 . . 377 41 30 GLU N N 122.694 . . 378 42 31 THR H H 8.962 . . 379 42 31 THR HA H 4.817 . . 380 42 31 THR HB H 4.016 . . 381 42 31 THR HG2 H 1.105 . . 382 42 31 THR C C 174.718 . . 383 42 31 THR CA C 64.103 . . 384 42 31 THR CB C 68.814 . . 385 42 31 THR CG2 C 22.126 . . 386 42 31 THR N N 120.925 . . 387 43 32 VAL H H 9.384 . . 388 43 32 VAL HA H 5.038 . . 389 43 32 VAL HB H 2.552 . . 390 43 32 VAL HG1 H 0.616 . . 391 43 32 VAL HG2 H 0.970 . . 392 43 32 VAL C C 172.993 . . 393 43 32 VAL CA C 59.070 . . 394 43 32 VAL CB C 36.590 . . 395 43 32 VAL CG1 C 17.700 . . 396 43 32 VAL CG2 C 22.931 . . 397 43 32 VAL N N 121.226 . . 398 44 33 LYS H H 8.714 . . 399 44 33 LYS HA H 5.146 . . 400 44 33 LYS HB2 H 1.845 . . 401 44 33 LYS HB3 H 1.642 . . 402 44 33 LYS HG2 H 1.193 . . 403 44 33 LYS HG3 H 1.337 . . 404 44 33 LYS HD2 H 1.596 . . 405 44 33 LYS HD3 H 1.596 . . 406 44 33 LYS HE2 H 2.750 . . 407 44 33 LYS HE3 H 2.750 . . 408 44 33 LYS C C 176.189 . . 409 44 33 LYS CA C 55.203 . . 410 44 33 LYS CB C 34.493 . . 411 44 33 LYS CG C 25.039 . . 412 44 33 LYS CD C 29.456 . . 413 44 33 LYS CE C 41.714 . . 414 44 33 LYS N N 120.460 . . 415 45 34 VAL H H 9.323 . . 416 45 34 VAL HA H 5.585 . . 417 45 34 VAL HB H 1.974 . . 418 45 34 VAL HG1 H 1.146 . . 419 45 34 VAL HG2 H 1.381 . . 420 45 34 VAL C C 172.684 . . 421 45 34 VAL CA C 59.595 . . 422 45 34 VAL CB C 34.755 . . 423 45 34 VAL CG1 C 20.605 . . 424 45 34 VAL CG2 C 23.020 . . 425 45 34 VAL N N 127.750 . . 426 46 35 THR H H 9.123 . . 427 46 35 THR HA H 4.592 . . 428 46 35 THR HB H 4.634 . . 429 46 35 THR HG2 H 1.297 . . 430 46 35 THR C C 173.120 . . 431 46 35 THR CA C 60.847 . . 432 46 35 THR CB C 67.976 . . 433 46 35 THR CG2 C 18.200 . . 434 46 35 THR N N 117.649 . . 435 47 36 CYS H H 8.438 . . 436 47 36 CYS HA H 5.903 . . 437 47 36 CYS HB2 H 2.991 . . 438 47 36 CYS HB3 H 2.607 . . 439 47 36 CYS C C 174.173 . . 440 47 36 CYS CA C 55.466 . . 441 47 36 CYS CB C 31.282 . . 442 47 36 CYS N N 115.558 . . 443 48 37 SER H H 8.886 . . 444 48 37 SER HA H 4.347 . . 445 48 37 SER HB2 H 3.846 . . 446 48 37 SER HB3 H 3.846 . . 447 48 37 SER C C 176.570 . . 448 48 37 SER CA C 58.721 . . 449 48 37 SER CB C 63.973 . . 450 48 37 SER N N 116.652 . . 451 49 38 LYS H H 8.946 . . 452 49 38 LYS HA H 3.849 . . 453 49 38 LYS HB2 H 1.883 . . 454 49 38 LYS HB3 H 1.883 . . 455 49 38 LYS HG2 H 1.541 . . 456 49 38 LYS HG3 H 1.463 . . 457 49 38 LYS HD2 H 1.721 . . 458 49 38 LYS HD3 H 1.721 . . 459 49 38 LYS HE2 H 3.010 . . 460 49 38 LYS HE3 H 3.010 . . 461 49 38 LYS C C 176.389 . . 462 49 38 LYS CA C 60.070 . . 463 49 38 LYS CB C 32.284 . . 464 49 38 LYS CG C 25.369 . . 465 49 38 LYS CD C 29.206 . . 466 49 38 LYS CE C 42.212 . . 467 49 38 LYS N N 121.604 . . 468 50 39 ASP H H 7.776 . . 469 50 39 ASP HA H 4.539 . . 470 50 39 ASP HB2 H 3.104 . . 471 50 39 ASP HB3 H 2.656 . . 472 50 39 ASP C C 176.713 . . 473 50 39 ASP CA C 52.713 . . 474 50 39 ASP CB C 40.461 . . 475 50 39 ASP N N 113.326 . . 476 51 40 GLY H H 8.175 . . 477 51 40 GLY HA2 H 4.320 . . 478 51 40 GLY HA3 H 3.731 . . 479 51 40 GLY C C 172.176 . . 480 51 40 GLY CA C 46.215 . . 481 51 40 GLY N N 108.620 . . 482 52 41 LYS H H 7.413 . . 483 52 41 LYS HA H 4.110 . . 484 52 41 LYS HB2 H 1.833 . . 485 52 41 LYS HB3 H 1.822 . . 486 52 41 LYS HG2 H 1.463 . . 487 52 41 LYS HG3 H 1.463 . . 488 52 41 LYS HD2 H 1.718 . . 489 52 41 LYS HD3 H 1.718 . . 490 52 41 LYS HE2 H 3.096 . . 491 52 41 LYS HE3 H 3.016 . . 492 52 41 LYS C C 178.059 . . 493 52 41 LYS CA C 58.221 . . 494 52 41 LYS CB C 33.838 . . 495 52 41 LYS CG C 24.956 . . 496 52 41 LYS CD C 29.206 . . 497 52 41 LYS CE C 42.238 . . 498 52 41 LYS N N 112.840 . . 499 53 42 MET H H 8.326 . . 500 53 42 MET HA H 5.231 . . 501 53 42 MET HB2 H 1.790 . . 502 53 42 MET HB3 H 1.790 . . 503 53 42 MET HG2 H 2.666 . . 504 53 42 MET HG3 H 2.392 . . 505 53 42 MET C C 175.971 . . 506 53 42 MET CA C 53.303 . . 507 53 42 MET CB C 34.624 . . 508 53 42 MET CG C 31.957 . . 509 53 42 MET N N 116.438 . . 510 54 43 LEU H H 8.569 . . 511 54 43 LEU HA H 4.871 . . 512 54 43 LEU HB2 H 1.095 . . 513 54 43 LEU HB3 H 0.954 . . 514 54 43 LEU HG H 1.772 . . 515 54 43 LEU HD1 H 1.053 . . 516 54 43 LEU HD2 H 0.992 . . 517 54 43 LEU C C 175.045 . . 518 54 43 LEU CA C 54.351 . . 519 54 43 LEU CB C 42.751 . . 520 54 43 LEU CG C 27.955 . . 521 54 43 LEU CD1 C 24.953 . . 522 54 43 LEU CD2 C 25.754 . . 523 54 43 LEU N N 123.704 . . 524 55 44 GLU H H 8.779 . . 525 55 44 GLU HA H 4.665 . . 526 55 44 GLU HB2 H 1.633 . . 527 55 44 GLU HB3 H 1.633 . . 528 55 44 GLU HG2 H 1.933 . . 529 55 44 GLU HG3 H 1.840 . . 530 55 44 GLU C C 174.591 . . 531 55 44 GLU CA C 54.024 . . 532 55 44 GLU CB C 34.459 . . 533 55 44 GLU CG C 35.459 . . 534 55 44 GLU N N 121.036 . . 535 56 45 TRP H H 7.368 . . 536 56 45 TRP HA H 6.196 . . 537 56 45 TRP HB2 H 2.799 . . 538 56 45 TRP HB3 H 3.392 . . 539 56 45 TRP HD1 H 5.584 . . 540 56 45 TRP HE1 H 9.537 . . 541 56 45 TRP HE3 H 6.941 . . 542 56 45 TRP HZ2 H 5.542 . . 543 56 45 TRP HZ3 H 6.486 . . 544 56 45 TRP HH2 H 6.680 . . 545 56 45 TRP C C 173.919 . . 546 56 45 TRP CA C 55.219 . . 547 56 45 TRP CB C 31.806 . . 548 56 45 TRP CD1 C 123.455 . . 549 56 45 TRP CE3 C 119.953 . . 550 56 45 TRP CZ2 C 121.704 . . 551 56 45 TRP CZ3 C 121.204 . . 552 56 45 TRP CH2 C 127.957 . . 553 56 45 TRP N N 113.793 . . 554 56 45 TRP NE1 N 126.181 . . 555 57 46 TYR H H 8.991 . . 556 57 46 TYR HA H 4.667 . . 557 57 46 TYR HB2 H 3.270 . . 558 57 46 TYR HB3 H 2.722 . . 559 57 46 TYR HD1 H 7.003 . . 560 57 46 TYR HD2 H 7.003 . . 561 57 46 TYR HE1 H 6.648 . . 562 57 46 TYR HE2 H 6.648 . . 563 57 46 TYR C C 175.372 . . 564 57 46 TYR CA C 57.220 . . 565 57 46 TYR CB C 42.948 . . 566 57 46 TYR CD1 C 132.960 . . 567 57 46 TYR CD2 C 132.960 . . 568 57 46 TYR CE1 C 118.702 . . 569 57 46 TYR CE2 C 118.702 . . 570 57 46 TYR N N 118.207 . . 571 58 47 LYS H H 8.778 . . 572 58 47 LYS HA H 4.559 . . 573 58 47 LYS HB2 H 2.035 . . 574 58 47 LYS HB3 H 1.897 . . 575 58 47 LYS HG2 H 1.672 . . 576 58 47 LYS HG3 H 1.623 . . 577 58 47 LYS HD2 H 1.837 . . 578 58 47 LYS HD3 H 1.837 . . 579 58 47 LYS HE2 H 3.095 . . 580 58 47 LYS HE3 H 3.095 . . 581 58 47 LYS C C 177.061 . . 582 58 47 LYS CA C 56.970 . . 583 58 47 LYS CB C 33.941 . . 584 58 47 LYS CG C 25.300 . . 585 58 47 LYS CD C 29.509 . . 586 58 47 LYS CE C 42.213 . . 587 58 47 LYS N N 121.005 . . 588 59 48 GLY H H 8.586 . . 589 59 48 GLY HA2 H 3.954 . . 590 59 48 GLY HA3 H 3.954 . . 591 59 48 GLY C C 173.647 . . 592 59 48 GLY CA C 45.766 . . 593 59 48 GLY N N 110.819 . . 594 60 49 LYS H H 8.140 . . 595 60 49 LYS HA H 4.333 . . 596 60 49 LYS HB2 H 1.855 . . 597 60 49 LYS HB3 H 1.855 . . 598 60 49 LYS HG2 H 1.449 . . 599 60 49 LYS HG3 H 1.395 . . 600 60 49 LYS HD2 H 1.709 . . 601 60 49 LYS HD3 H 1.709 . . 602 60 49 LYS HE2 H 3.003 . . 603 60 49 LYS HE3 H 3.003 . . 604 60 49 LYS C C 176.244 . . 605 60 49 LYS CA C 56.383 . . 606 60 49 LYS CB C 33.444 . . 607 60 49 LYS CG C 24.703 . . 608 60 49 LYS CD C 29.281 . . 609 60 49 LYS CE C 42.213 . . 610 60 49 LYS N N 119.737 . . 611 61 50 ASN H H 8.141 . . 612 63 52 SER HA H 7.422 . . 613 63 52 SER C C 174.664 . . 614 63 52 SER CA C 58.939 . . 615 63 52 SER CB C 64.058 . . 616 64 53 ASP H H 8.231 . . 617 64 53 ASP HA H 4.614 . . 618 64 53 ASP HB2 H 2.720 . . 619 64 53 ASP HB3 H 2.720 . . 620 64 53 ASP C C 176.879 . . 621 64 53 ASP CA C 54.614 . . 622 64 53 ASP CB C 41.178 . . 623 64 53 ASP N N 121.546 . . 624 65 54 GLY H H 8.231 . . 625 65 54 GLY HA2 H 3.998 . . 626 65 54 GLY HA3 H 3.951 . . 627 65 54 GLY C C 174.482 . . 628 65 54 GLY CA C 45.766 . . 629 65 54 GLY N N 109.203 . . 630 66 55 LYS H H 8.205 . . 631 66 55 LYS HA H 4.343 . . 632 66 55 LYS HB2 H 1.818 . . 633 66 55 LYS HB3 H 1.818 . . 634 66 55 LYS HG2 H 1.445 . . 635 66 55 LYS HG3 H 1.445 . . 636 66 55 LYS HD2 H 1.711 . . 637 66 55 LYS HD3 H 1.711 . . 638 66 55 LYS HE2 H 3.011 . . 639 66 55 LYS HE3 H 3.011 . . 640 66 55 LYS C C 176.752 . . 641 66 55 LYS CA C 56.449 . . 642 66 55 LYS CB C 32.708 . . 643 66 55 LYS CG C 24.703 . . 644 66 55 LYS CD C 29.192 . . 645 66 55 LYS CE C 42.161 . . 646 66 55 LYS N N 120.083 . . 647 67 56 LYS H H 8.128 . . 648 67 56 LYS HA H 4.446 . . 649 67 56 LYS HB2 H 1.924 . . 650 67 56 LYS HB3 H 1.924 . . 651 67 56 LYS HG2 H 1.531 . . 652 67 56 LYS HG3 H 1.531 . . 653 67 56 LYS HD2 H 1.722 . . 654 67 56 LYS HD3 H 1.722 . . 655 67 56 LYS HE2 H 3.028 . . 656 67 56 LYS HE3 H 3.028 . . 657 67 56 LYS C C 176.007 . . 658 67 56 LYS CA C 56.055 . . 659 67 56 LYS CB C 33.510 . . 660 67 56 LYS CG C 24.684 . . 661 67 56 LYS CD C 29.102 . . 662 67 56 LYS CE C 42.251 . . 663 67 56 LYS N N 121.226 . . 664 68 57 LYS H H 8.307 . . 665 68 57 LYS HA H 4.674 . . 666 68 57 LYS HB2 H 1.694 . . 667 68 57 LYS HB3 H 1.694 . . 668 68 57 LYS HG2 H 1.528 . . 669 68 57 LYS HG3 H 1.528 . . 670 68 57 LYS HD2 H 1.768 . . 671 68 57 LYS HD3 H 1.768 . . 672 68 57 LYS HE2 H 3.009 . . 673 68 57 LYS HE3 H 3.009 . . 674 68 57 LYS C C 173.792 . . 675 68 57 LYS CA C 53.922 . . 676 68 57 LYS CB C 32.708 . . 677 68 57 LYS CG C 24.505 . . 678 68 57 LYS CD C 28.746 . . 679 68 57 LYS CE C 42.223 . . 680 68 57 LYS N N 122.520 . . 681 69 58 PRO HA H 3.414 . . 682 69 58 PRO HB2 H 1.397 . . 683 69 58 PRO HB3 H 1.045 . . 684 69 58 PRO HG2 H 1.554 . . 685 69 58 PRO HG3 H 1.554 . . 686 69 58 PRO HD2 H 3.709 . . 687 69 58 PRO HD3 H 3.552 . . 688 69 58 PRO C C 177.097 . . 689 69 58 PRO CA C 63.003 . . 690 69 58 PRO CB C 31.622 . . 691 69 58 PRO CG C 26.204 . . 692 69 58 PRO CD C 50.217 . . 693 70 59 ILE H H 8.417 . . 694 70 59 ILE HA H 4.020 . . 695 70 59 ILE HB H 1.821 . . 696 70 59 ILE HG12 H 1.422 . . 697 70 59 ILE HG13 H 1.085 . . 698 70 59 ILE HG2 H 0.936 . . 699 70 59 ILE HD1 H 0.953 . . 700 70 59 ILE C C 176.135 . . 701 70 59 ILE CA C 61.723 . . 702 70 59 ILE CB C 38.425 . . 703 70 59 ILE CG1 C 27.969 . . 704 70 59 ILE CG2 C 18.280 . . 705 70 59 ILE CD1 C 14.165 . . 706 70 59 ILE N N 118.177 . . 707 71 60 GLY H H 6.327 . . 708 71 60 GLY HA2 H 3.718 . . 709 71 60 GLY HA3 H 3.025 . . 710 71 60 GLY C C 168.780 . . 711 71 60 GLY CA C 44.258 . . 712 71 60 GLY N N 107.313 . . 713 72 61 SER H H 7.202 . . 714 72 61 SER HA H 4.672 . . 715 72 61 SER HB2 H 3.696 . . 716 72 61 SER HB3 H 3.524 . . 717 72 61 SER C C 173.810 . . 718 72 61 SER CA C 57.288 . . 719 72 61 SER CB C 66.022 . . 720 72 61 SER N N 109.194 . . 721 73 62 PHE H H 8.386 . . 722 73 62 PHE HA H 5.188 . . 723 73 62 PHE HB2 H 3.415 . . 724 73 62 PHE HB3 H 3.208 . . 725 73 62 PHE HD1 H 6.965 . . 726 73 62 PHE HD2 H 6.965 . . 727 73 62 PHE HE1 H 6.649 . . 728 73 62 PHE HE2 H 6.659 . . 729 73 62 PHE HZ H 6.680 . . 730 73 62 PHE C C 171.867 . . 731 73 62 PHE CA C 56.252 . . 732 73 62 PHE CB C 39.277 . . 733 73 62 PHE CD1 C 133.460 . . 734 73 62 PHE CD2 C 133.460 . . 735 73 62 PHE CE1 C 129.708 . . 736 73 62 PHE CE2 C 129.708 . . 737 73 62 PHE CZ C 127.957 . . 738 73 62 PHE N N 112.678 . . 739 74 63 PRO HA H 5.339 . . 740 74 63 PRO HB2 H 2.429 . . 741 74 63 PRO HB3 H 2.169 . . 742 74 63 PRO HG2 H 2.249 . . 743 74 63 PRO HG3 H 2.029 . . 744 74 63 PRO HD2 H 4.132 . . 745 74 63 PRO HD3 H 4.132 . . 746 74 63 PRO C C 178.659 . . 747 74 63 PRO CA C 62.186 . . 748 74 63 PRO CB C 31.957 . . 749 74 63 PRO CG C 28.400 . . 750 74 63 PRO CD C 51.463 . . 751 75 64 LEU H H 8.788 . . 752 75 64 LEU HA H 4.108 . . 753 75 64 LEU HB2 H 1.675 . . 754 75 64 LEU HB3 H 1.448 . . 755 75 64 LEU HG H 1.594 . . 756 75 64 LEU HD1 H 0.841 . . 757 75 64 LEU HD2 H 0.841 . . 758 75 64 LEU C C 179.530 . . 759 75 64 LEU CA C 57.721 . . 760 75 64 LEU CB C 42.274 . . 761 75 64 LEU CG C 27.955 . . 762 75 64 LEU CD1 C 25.454 . . 763 75 64 LEU CD2 C 25.454 . . 764 75 64 LEU N N 125.066 . . 765 76 65 ASN H H 8.784 . . 766 76 65 ASN HA H 4.541 . . 767 76 65 ASN HB2 H 3.235 . . 768 76 65 ASN HB3 H 2.859 . . 769 76 65 ASN HD21 H 6.518 . . 770 76 65 ASN HD22 H 6.518 . . 771 76 65 ASN C C 176.280 . . 772 76 65 ASN CA C 54.043 . . 773 76 65 ASN CB C 36.994 . . 774 76 65 ASN N N 114.174 . . 775 76 65 ASN ND2 N 108.647 . . 776 77 66 LYS H H 7.536 . . 777 77 66 LYS HA H 4.670 . . 778 77 66 LYS HB2 H 2.453 . . 779 77 66 LYS HB3 H 1.906 . . 780 77 66 LYS HG2 H 1.560 . . 781 77 66 LYS HG3 H 1.560 . . 782 77 66 LYS HD2 H 1.783 . . 783 77 66 LYS HD3 H 1.783 . . 784 77 66 LYS HE2 H 2.997 . . 785 77 66 LYS HE3 H 2.997 . . 786 77 66 LYS C C 176.205 . . 787 77 66 LYS CA C 54.308 . . 788 77 66 LYS CB C 32.566 . . 789 77 66 LYS CG C 24.453 . . 790 77 66 LYS CD C 28.251 . . 791 77 66 LYS CE C 42.108 . . 792 77 66 LYS N N 117.210 . . 793 78 67 ILE H H 7.335 . . 794 78 67 ILE HA H 4.207 . . 795 78 67 ILE HB H 1.859 . . 796 78 67 ILE HG12 H 2.253 . . 797 78 67 ILE HG13 H 2.253 . . 798 78 67 ILE HG2 H 0.908 . . 799 78 67 ILE HD1 H 1.175 . . 800 78 67 ILE C C 177.115 . . 801 78 67 ILE CA C 63.461 . . 802 78 67 ILE CB C 39.211 . . 803 78 67 ILE CG1 C 28.341 . . 804 78 67 ILE CG2 C 17.117 . . 805 78 67 ILE CD1 C 14.613 . . 806 78 67 ILE N N 120.660 . . 807 79 68 THR H H 9.304 . . 808 79 68 THR HA H 4.522 . . 809 79 68 THR HB H 4.210 . . 810 79 68 THR HG2 H 1.187 . . 811 79 68 THR C C 175.608 . . 812 79 68 THR CA C 61.973 . . 813 79 68 THR CB C 69.294 . . 814 79 68 THR CG2 C 22.702 . . 815 79 68 THR N N 120.816 . . 816 80 69 SER H H 7.424 . . 817 80 69 SER HA H 4.645 . . 818 80 69 SER HB2 H 3.855 . . 819 80 69 SER HB3 H 3.855 . . 820 80 69 SER C C 172.140 . . 821 80 69 SER CA C 58.753 . . 822 80 69 SER CB C 65.005 . . 823 80 69 SER N N 115.348 . . 824 81 70 ILE H H 8.467 . . 825 81 70 ILE HA H 4.894 . . 826 81 70 ILE HB H 1.913 . . 827 81 70 ILE HG12 H 1.677 . . 828 81 70 ILE HG13 H 1.084 . . 829 81 70 ILE HG2 H 0.982 . . 830 81 70 ILE HD1 H 0.960 . . 831 81 70 ILE C C 177.097 . . 832 81 70 ILE CA C 61.566 . . 833 81 70 ILE CB C 40.462 . . 834 81 70 ILE CG1 C 27.982 . . 835 81 70 ILE CG2 C 18.101 . . 836 81 70 ILE CD1 C 14.434 . . 837 81 70 ILE N N 123.866 . . 838 82 71 ARG H H 9.006 . . 839 82 71 ARG HA H 5.000 . . 840 82 71 ARG HB2 H 1.972 . . 841 82 71 ARG HB3 H 1.821 . . 842 82 71 ARG HG2 H 1.592 . . 843 82 71 ARG HG3 H 1.716 . . 844 82 71 ARG HD2 H 3.218 . . 845 82 71 ARG HD3 H 3.227 . . 846 82 71 ARG C C 175.154 . . 847 82 71 ARG CA C 54.694 . . 848 82 71 ARG CB C 34.227 . . 849 82 71 ARG CG C 26.704 . . 850 82 71 ARG CD C 43.713 . . 851 82 71 ARG N N 124.657 . . 852 83 72 THR H H 8.615 . . 853 83 72 THR HA H 4.473 . . 854 83 72 THR HB H 4.132 . . 855 83 72 THR HG2 H 1.279 . . 856 83 72 THR C C 173.865 . . 857 83 72 THR CA C 61.973 . . 858 83 72 THR CB C 69.753 . . 859 83 72 THR CG2 C 21.952 . . 860 83 72 THR N N 118.182 . . 861 84 73 LYS H H 8.411 . . 862 84 73 LYS HA H 4.539 . . 863 84 73 LYS HB2 H 2.075 . . 864 84 73 LYS HB3 H 1.647 . . 865 84 73 LYS HG2 H 1.482 . . 866 84 73 LYS HG3 H 1.364 . . 867 84 73 LYS HD2 H 1.714 . . 868 84 73 LYS HD3 H 1.637 . . 869 84 73 LYS HE2 H 3.007 . . 870 84 73 LYS HE3 H 3.007 . . 871 84 73 LYS C C 177.297 . . 872 84 73 LYS CA C 54.810 . . 873 84 73 LYS CB C 32.855 . . 874 84 73 LYS CG C 24.031 . . 875 84 73 LYS CD C 28.208 . . 876 84 73 LYS CE C 42.212 . . 877 84 73 LYS N N 124.874 . . 878 85 74 VAL H H 8.392 . . 879 85 74 VAL HA H 3.801 . . 880 85 74 VAL HB H 2.159 . . 881 85 74 VAL HG1 H 1.036 . . 882 85 74 VAL HG2 H 1.031 . . 883 85 74 VAL C C 176.044 . . 884 85 74 VAL CA C 64.724 . . 885 85 74 VAL CB C 31.609 . . 886 85 74 VAL CG1 C 20.695 . . 887 85 74 VAL CG2 C 20.695 . . 888 85 74 VAL N N 122.623 . . 889 86 75 ASP H H 8.224 . . 890 86 75 ASP HA H 4.561 . . 891 86 75 ASP HB2 H 2.859 . . 892 86 75 ASP HB3 H 2.634 . . 893 86 75 ASP C C 176.244 . . 894 86 75 ASP CA C 53.565 . . 895 86 75 ASP CB C 40.211 . . 896 86 75 ASP N N 115.699 . . 897 87 76 ASN H H 7.427 . . 898 87 76 ASN HA H 4.720 . . 899 87 76 ASN HB2 H 2.855 . . 900 87 76 ASN HB3 H 2.743 . . 901 87 76 ASN C C 175.172 . . 902 87 76 ASN CA C 53.484 . . 903 87 76 ASN CB C 38.133 . . 904 87 76 ASN N N 115.890 . . 905 88 77 LEU H H 8.959 . . 906 88 77 LEU HA H 4.504 . . 907 88 77 LEU HB2 H 1.942 . . 908 88 77 LEU HB3 H 1.514 . . 909 88 77 LEU HG H 1.866 . . 910 88 77 LEU HD1 H 1.016 . . 911 88 77 LEU HD2 H 0.963 . . 912 88 77 LEU C C 178.096 . . 913 88 77 LEU CA C 56.720 . . 914 88 77 LEU CB C 41.962 . . 915 88 77 LEU CG C 27.403 . . 916 88 77 LEU CD1 C 25.204 . . 917 88 77 LEU CD2 C 22.952 . . 918 88 77 LEU N N 123.704 . . 919 89 78 LYS H H 8.093 . . 920 89 78 LYS HA H 4.225 . . 921 89 78 LYS HB2 H 2.363 . . 922 89 78 LYS HB3 H 1.822 . . 923 89 78 LYS HG2 H 1.031 . . 924 89 78 LYS HG3 H 1.532 . . 925 89 78 LYS HD2 H 1.674 . . 926 89 78 LYS HD3 H 1.674 . . 927 89 78 LYS HE2 H 3.098 . . 928 89 78 LYS HE3 H 3.098 . . 929 89 78 LYS C C 175.590 . . 930 89 78 LYS CA C 57.409 . . 931 89 78 LYS CB C 31.893 . . 932 89 78 LYS CG C 26.078 . . 933 89 78 LYS CD C 29.706 . . 934 89 78 LYS CE C 42.161 . . 935 89 78 LYS N N 117.605 . . 936 90 79 SER H H 8.138 . . 937 90 79 SER HA H 6.086 . . 938 90 79 SER HB2 H 3.844 . . 939 90 79 SER HB3 H 3.795 . . 940 90 79 SER C C 172.521 . . 941 90 79 SER CA C 57.721 . . 942 90 79 SER CB C 67.001 . . 943 90 79 SER N N 114.925 . . 944 91 80 LEU H H 9.441 . . 945 91 80 LEU HA H 4.908 . . 946 91 80 LEU HB2 H 2.005 . . 947 91 80 LEU HB3 H 1.470 . . 948 91 80 LEU HG H 1.756 . . 949 91 80 LEU HD1 H 1.009 . . 950 91 80 LEU HD2 H 1.009 . . 951 91 80 LEU C C 173.974 . . 952 91 80 LEU CA C 54.089 . . 953 91 80 LEU CB C 47.535 . . 954 91 80 LEU CG C 26.704 . . 955 91 80 LEU CD1 C 24.954 . . 956 91 80 LEU CD2 C 24.954 . . 957 91 80 LEU N N 121.708 . . 958 92 81 GLU H H 9.509 . . 959 92 81 GLU HA H 5.448 . . 960 92 81 GLU HB2 H 2.075 . . 961 92 81 GLU HB3 H 1.817 . . 962 92 81 GLU HG2 H 2.063 . . 963 92 81 GLU HG3 H 1.965 . . 964 92 81 GLU C C 175.844 . . 965 92 81 GLU CA C 54.719 . . 966 92 81 GLU CB C 33.444 . . 967 92 81 GLU CG C 37.710 . . 968 92 81 GLU N N 125.440 . . 969 93 82 ILE H H 9.549 . . 970 93 82 ILE HA H 4.988 . . 971 93 82 ILE HB H 1.914 . . 972 93 82 ILE HG12 H 1.830 . . 973 93 82 ILE HG13 H 1.174 . . 974 93 82 ILE HG2 H 0.956 . . 975 93 82 ILE HD1 H 0.883 . . 976 93 82 ILE C C 175.227 . . 977 93 82 ILE CA C 60.972 . . 978 93 82 ILE CB C 40.962 . . 979 93 82 ILE CG1 C 28.162 . . 980 93 82 ILE CG2 C 18.101 . . 981 93 82 ILE CD1 C 13.450 . . 982 93 82 ILE N N 128.483 . . 983 94 83 SER H H 8.882 . . 984 94 83 SER HA H 5.545 . . 985 94 83 SER HB2 H 3.810 . . 986 94 83 SER HB3 H 3.786 . . 987 94 83 SER C C 173.538 . . 988 94 83 SER CA C 57.733 . . 989 94 83 SER CB C 64.603 . . 990 94 83 SER N N 123.902 . . 991 95 84 VAL H H 8.967 . . 992 95 84 VAL HA H 4.742 . . 993 95 84 VAL HB H 1.788 . . 994 95 84 VAL HG1 H 0.178 . . 995 95 84 VAL HG2 H 0.680 . . 996 95 84 VAL C C 175.644 . . 997 95 84 VAL CA C 60.458 . . 998 95 84 VAL CB C 35.959 . . 999 95 84 VAL CG1 C 21.427 . . 1000 95 84 VAL CG2 C 21.410 . . 1001 95 84 VAL N N 124.466 . . 1002 96 85 SER H H 8.715 . . 1003 96 85 SER HA H 4.645 . . 1004 96 85 SER HB2 H 3.935 . . 1005 96 85 SER HB3 H 3.855 . . 1006 96 85 SER C C 173.756 . . 1007 96 85 SER CA C 57.220 . . 1008 96 85 SER CB C 62.973 . . 1009 96 85 SER N N 120.686 . . 1010 97 86 SER H H 7.854 . . 1011 97 86 SER HA H 4.648 . . 1012 97 86 SER HB2 H 3.971 . . 1013 97 86 SER HB3 H 3.850 . . 1014 97 86 SER C C 174.664 . . 1015 97 86 SER CA C 57.235 . . 1016 97 86 SER CB C 63.473 . . 1017 97 86 SER N N 120.273 . . 1018 98 87 VAL H H 8.427 . . 1019 98 87 VAL HA H 3.975 . . 1020 98 87 VAL HB H 1.512 . . 1021 98 87 VAL HG1 H 1.210 . . 1022 98 87 VAL HG2 H 1.202 . . 1023 98 87 VAL C C 177.297 . . 1024 98 87 VAL CA C 54.602 . . 1025 98 87 VAL CB C 41.200 . . 1026 98 87 VAL CG1 C 23.953 . . 1027 98 87 VAL CG2 C 25.954 . . 1028 98 87 VAL N N 122.126 . . 1029 99 88 HIS H H 8.142 . . 1030 99 88 HIS HA H 4.446 . . 1031 99 88 HIS HB2 H 1.809 . . 1032 99 88 HIS HB3 H 1.809 . . 1033 99 88 HIS HE1 H 8.634 . . 1034 99 88 HIS C C 174.863 . . 1035 99 88 HIS CA C 56.043 . . 1036 99 88 HIS CB C 31.957 . . 1037 99 88 HIS N N 119.702 . . 1038 100 89 ILE H H 8.122 . . 1039 100 89 ILE HA H 4.445 . . 1040 100 89 ILE HB H 1.963 . . 1041 100 89 ILE HG12 H 1.508 . . 1042 100 89 ILE HG13 H 1.179 . . 1043 100 89 ILE HG2 H 0.648 . . 1044 100 89 ILE HD1 H 0.879 . . 1045 100 89 ILE C C 175.917 . . 1046 100 89 ILE CA C 60.774 . . 1047 100 89 ILE CB C 37.705 . . 1048 100 89 ILE CG1 C 27.220 . . 1049 100 89 ILE CG2 C 17.743 . . 1050 100 89 ILE CD1 C 12.287 . . 1051 100 89 ILE N N 121.300 . . 1052 101 90 SER H H 8.663 . . 1053 101 90 SER HA H 4.914 . . 1054 101 90 SER HB2 H 3.952 . . 1055 101 90 SER HB3 H 3.864 . . 1056 101 90 SER C C 173.665 . . 1057 101 90 SER CA C 58.022 . . 1058 101 90 SER CB C 65.690 . . 1059 101 90 SER N N 121.798 . . 1060 102 91 THR H H 7.518 . . 1061 102 91 THR HA H 5.108 . . 1062 102 91 THR HB H 3.758 . . 1063 102 91 THR HG2 H 1.063 . . 1064 102 91 THR C C 172.648 . . 1065 102 91 THR CA C 61.723 . . 1066 102 91 THR CB C 70.977 . . 1067 102 91 THR CG2 C 21.679 . . 1068 102 91 THR N N 116.204 . . 1069 103 92 TYR H H 9.102 . . 1070 103 92 TYR HA H 4.407 . . 1071 103 92 TYR HB2 H 2.886 . . 1072 103 92 TYR HB3 H 2.428 . . 1073 103 92 TYR HD1 H 6.643 . . 1074 103 92 TYR HD2 H 6.643 . . 1075 103 92 TYR HE1 H 6.841 . . 1076 103 92 TYR HE2 H 6.810 . . 1077 103 92 TYR C C 173.411 . . 1078 103 92 TYR CA C 57.220 . . 1079 103 92 TYR CB C 42.582 . . 1080 103 92 TYR CD1 C 132.960 . . 1081 103 92 TYR CD2 C 132.960 . . 1082 103 92 TYR CE1 C 130.459 . . 1083 103 92 TYR CE2 C 130.459 . . 1084 103 92 TYR N N 124.806 . . 1085 104 93 LEU H H 8.311 . . 1086 104 93 LEU HA H 5.301 . . 1087 104 93 LEU HB2 H 1.938 . . 1088 104 93 LEU HB3 H 1.417 . . 1089 104 93 LEU HG H 1.422 . . 1090 104 93 LEU HD1 H 0.834 . . 1091 104 93 LEU HD2 H 0.906 . . 1092 104 93 LEU C C 175.372 . . 1093 104 93 LEU CA C 53.468 . . 1094 104 93 LEU CB C 44.324 . . 1095 104 93 LEU CG C 27.455 . . 1096 104 93 LEU CD1 C 25.454 . . 1097 104 93 LEU CD2 C 24.203 . . 1098 104 93 LEU N N 124.466 . . 1099 105 94 PHE H H 9.497 . . 1100 105 94 PHE HA H 5.203 . . 1101 105 94 PHE HB2 H 3.017 . . 1102 105 94 PHE HB3 H 2.266 . . 1103 105 94 PHE HD1 H 6.873 . . 1104 105 94 PHE HD2 H 6.873 . . 1105 105 94 PHE HE1 H 6.521 . . 1106 105 94 PHE HE2 H 6.519 . . 1107 105 94 PHE HZ H 7.203 . . 1108 105 94 PHE C C 175.572 . . 1109 105 94 PHE CA C 55.990 . . 1110 105 94 PHE CB C 41.800 . . 1111 105 94 PHE CD1 C 118.452 . . 1112 105 94 PHE CD2 C 118.452 . . 1113 105 94 PHE CE1 C 130.708 . . 1114 105 94 PHE CE2 C 130.708 . . 1115 105 94 PHE CZ C 130.208 . . 1116 105 94 PHE N N 127.516 . . 1117 106 95 THR H H 8.986 . . 1118 106 95 THR HA H 4.867 . . 1119 106 95 THR HB H 3.769 . . 1120 106 95 THR HG2 H 1.211 . . 1121 106 95 THR C C 173.538 . . 1122 106 95 THR CA C 63.223 . . 1123 106 95 THR CB C 70.498 . . 1124 106 95 THR CG2 C 21.589 . . 1125 106 95 THR N N 118.180 . . 1126 107 96 PHE H H 8.884 . . 1127 107 96 PHE HA H 4.626 . . 1128 107 96 PHE HB2 H 3.554 . . 1129 107 96 PHE HB3 H 3.106 . . 1130 107 96 PHE HD1 H 7.343 . . 1131 107 96 PHE HD2 H 7.343 . . 1132 107 96 PHE HE1 H 6.089 . . 1133 107 96 PHE HE2 H 6.089 . . 1134 107 96 PHE HZ H 4.868 . . 1135 107 96 PHE C C 175.644 . . 1136 107 96 PHE CA C 57.220 . . 1137 107 96 PHE CB C 41.256 . . 1138 107 96 PHE CD1 C 131.959 . . 1139 107 96 PHE CD2 C 131.959 . . 1140 107 96 PHE CE1 C 121.704 . . 1141 107 96 PHE CE2 C 121.704 . . 1142 107 96 PHE CZ C 127.207 . . 1143 107 96 PHE N N 128.882 . . 1144 108 97 LYS H H 9.345 . . 1145 108 97 LYS HA H 4.110 . . 1146 108 97 LYS HB2 H 2.119 . . 1147 108 97 LYS HB3 H 2.027 . . 1148 108 97 LYS HG2 H 1.606 . . 1149 108 97 LYS HG3 H 1.606 . . 1150 108 97 LYS HD2 H 1.883 . . 1151 108 97 LYS HD3 H 1.772 . . 1152 108 97 LYS HE2 H 3.097 . . 1153 108 97 LYS HE3 H 3.097 . . 1154 108 97 LYS C C 177.569 . . 1155 108 97 LYS CA C 59.529 . . 1156 108 97 LYS CB C 33.576 . . 1157 108 97 LYS CG C 25.454 . . 1158 108 97 LYS CD C 29.956 . . 1159 108 97 LYS CE C 42.161 . . 1160 108 97 LYS N N 118.367 . . 1161 109 98 THR H H 7.155 . . 1162 109 98 THR HA H 4.773 . . 1163 109 98 THR HB H 4.760 . . 1164 109 98 THR HG2 H 1.312 . . 1165 109 98 THR C C 174.482 . . 1166 109 98 THR CA C 58.661 . . 1167 109 98 THR CB C 74.038 . . 1168 109 98 THR CG2 C 22.202 . . 1169 109 98 THR N N 125.998 . . 1170 110 99 ARG H H 9.299 . . 1171 110 99 ARG HA H 4.135 . . 1172 110 99 ARG HB2 H 1.887 . . 1173 110 99 ARG HB3 H 1.777 . . 1174 110 99 ARG HG2 H 1.600 . . 1175 110 99 ARG HG3 H 1.600 . . 1176 110 99 ARG HD2 H 3.224 . . 1177 110 99 ARG HD3 H 3.224 . . 1178 110 99 ARG HH21 H 7.147 . . 1179 110 99 ARG HH22 H 7.147 . . 1180 110 99 ARG C C 177.442 . . 1181 110 99 ARG CA C 59.267 . . 1182 110 99 ARG CB C 29.905 . . 1183 110 99 ARG CG C 26.721 . . 1184 110 99 ARG CD C 43.713 . . 1185 110 99 ARG N N 123.166 . . 1186 111 100 GLU H H 9.275 . . 1187 111 100 GLU HA H 4.057 . . 1188 111 100 GLU HB2 H 2.146 . . 1189 111 100 GLU HB3 H 1.997 . . 1190 111 100 GLU HG2 H 2.548 . . 1191 111 100 GLU HG3 H 2.313 . . 1192 111 100 GLU C C 179.585 . . 1193 111 100 GLU CA C 60.722 . . 1194 111 100 GLU CB C 28.529 . . 1195 111 100 GLU CG C 37.210 . . 1196 111 100 GLU N N 119.702 . . 1197 112 101 GLU H H 8.114 . . 1198 112 101 GLU HA H 4.077 . . 1199 112 101 GLU HB2 H 2.253 . . 1200 112 101 GLU HB3 H 2.253 . . 1201 112 101 GLU HG2 H 2.491 . . 1202 112 101 GLU HG3 H 2.365 . . 1203 112 101 GLU C C 177.969 . . 1204 112 101 GLU CA C 59.726 . . 1205 112 101 GLU CB C 30.957 . . 1206 112 101 GLU CG C 38.136 . . 1207 112 101 GLU N N 120.273 . . 1208 113 102 ARG H H 7.351 . . 1209 113 102 ARG HA H 2.316 . . 1210 113 102 ARG HB2 H 2.303 . . 1211 113 102 ARG HB3 H 2.303 . . 1212 113 102 ARG HG2 H 1.767 . . 1213 113 102 ARG HG3 H 1.434 . . 1214 113 102 ARG HD2 H 3.172 . . 1215 113 102 ARG HD3 H 3.172 . . 1216 113 102 ARG C C 178.043 . . 1217 113 102 ARG CA C 59.722 . . 1218 113 102 ARG CB C 26.736 . . 1219 113 102 ARG CG C 26.704 . . 1220 113 102 ARG CD C 42.321 . . 1221 113 102 ARG N N 120.273 . . 1222 114 103 GLU H H 8.656 . . 1223 114 103 GLU HA H 3.887 . . 1224 114 103 GLU HB2 H 2.109 . . 1225 114 103 GLU HB3 H 2.021 . . 1226 114 103 GLU HG2 H 2.359 . . 1227 114 103 GLU HG3 H 2.268 . . 1228 114 103 GLU C C 178.622 . . 1229 114 103 GLU CA C 59.922 . . 1230 114 103 GLU CB C 30.233 . . 1231 114 103 GLU CG C 36.367 . . 1232 114 103 GLU N N 119.076 . . 1233 115 104 SER H H 8.141 . . 1234 115 104 SER HA H 4.266 . . 1235 115 104 SER HB2 H 4.043 . . 1236 115 104 SER HB3 H 3.956 . . 1237 115 104 SER C C 181.056 . . 1238 115 104 SER CA C 61.495 . . 1239 115 104 SER CB C 63.134 . . 1240 115 104 SER N N 113.221 . . 1241 116 105 TRP H H 8.136 . . 1242 116 105 TRP HA H 4.205 . . 1243 116 105 TRP HB2 H 3.028 . . 1244 116 105 TRP HB3 H 2.904 . . 1245 116 105 TRP HD1 H 7.227 . . 1246 116 105 TRP HE1 H 10.948 . . 1247 116 105 TRP HE3 H 6.961 . . 1248 116 105 TRP HZ2 H 6.562 . . 1249 116 105 TRP HZ3 H 6.655 . . 1250 116 105 TRP HH2 H 6.680 . . 1251 116 105 TRP C C 177.605 . . 1252 116 105 TRP CA C 63.330 . . 1253 116 105 TRP CB C 29.956 . . 1254 116 105 TRP CD1 C 126.206 . . 1255 116 105 TRP CZ2 C 123.455 . . 1256 116 105 TRP CZ3 C 129.708 . . 1257 116 105 TRP CH2 C 128.457 . . 1258 116 105 TRP N N 124.551 . . 1259 116 105 TRP NE1 N 130.108 . . 1260 117 106 GLN H H 8.898 . . 1261 117 106 GLN HA H 3.681 . . 1262 117 106 GLN HB2 H 2.342 . . 1263 117 106 GLN HB3 H 2.212 . . 1264 117 106 GLN HG2 H 2.424 . . 1265 117 106 GLN HG3 H 2.424 . . 1266 117 106 GLN C C 177.769 . . 1267 117 106 GLN CA C 60.070 . . 1268 117 106 GLN CB C 28.706 . . 1269 117 106 GLN CG C 32.315 . . 1270 117 106 GLN N N 118.400 . . 1271 118 107 ASN H H 8.233 . . 1272 118 107 ASN HA H 4.463 . . 1273 118 107 ASN HB2 H 2.939 . . 1274 118 107 ASN HB3 H 2.843 . . 1275 118 107 ASN HD21 H 7.559 . . 1276 118 107 ASN HD22 H 6.996 . . 1277 118 107 ASN C C 178.641 . . 1278 118 107 ASN CA C 56.187 . . 1279 118 107 ASN CB C 38.163 . . 1280 118 107 ASN N N 116.271 . . 1281 118 107 ASN ND2 N 112.840 . . 1282 119 108 ASN H H 8.323 . . 1283 119 108 ASN HA H 4.647 . . 1284 119 108 ASN HB2 H 2.809 . . 1285 119 108 ASN HB3 H 2.321 . . 1286 119 108 ASN HD21 H 7.082 . . 1287 119 108 ASN HD22 H 7.576 . . 1288 119 108 ASN C C 176.770 . . 1289 119 108 ASN CA C 56.842 . . 1290 119 108 ASN CB C 38.711 . . 1291 119 108 ASN N N 120.111 . . 1292 119 108 ASN ND2 N 115.318 . . 1293 120 109 LEU H H 8.967 . . 1294 120 109 LEU HA H 3.803 . . 1295 120 109 LEU HB2 H 1.607 . . 1296 120 109 LEU HB3 H 0.468 . . 1297 120 109 LEU HG H 0.772 . . 1298 120 109 LEU HD1 H 0.689 . . 1299 120 109 LEU HD2 H 0.689 . . 1300 120 109 LEU C C 178.731 . . 1301 120 109 LEU CA C 58.191 . . 1302 120 109 LEU CB C 39.991 . . 1303 120 109 LEU CG C 26.954 . . 1304 120 109 LEU CD1 C 22.952 . . 1305 120 109 LEU CD2 C 22.952 . . 1306 120 109 LEU N N 123.322 . . 1307 121 110 GLU H H 8.260 . . 1308 121 110 GLU HA H 4.343 . . 1309 121 110 GLU HB2 H 2.187 . . 1310 121 110 GLU HB3 H 2.038 . . 1311 121 110 GLU HG2 H 2.413 . . 1312 121 110 GLU HG3 H 2.375 . . 1313 121 110 GLU C C 180.366 . . 1314 121 110 GLU CA C 59.464 . . 1315 121 110 GLU CB C 29.250 . . 1316 121 110 GLU CG C 35.457 . . 1317 121 110 GLU N N 118.370 . . 1318 122 111 SER H H 8.067 . . 1319 122 111 SER HA H 4.197 . . 1320 122 111 SER HB2 H 4.070 . . 1321 122 111 SER HB3 H 4.070 . . 1322 122 111 SER C C 172.140 . . 1323 122 111 SER CA C 61.888 . . 1324 122 111 SER CB C 62.723 . . 1325 122 111 SER N N 115.463 . . 1326 123 112 PHE H H 8.463 . . 1327 123 112 PHE HA H 3.793 . . 1328 123 112 PHE HB2 H 2.743 . . 1329 123 112 PHE HB3 H 2.743 . . 1330 123 112 PHE HD1 H 6.517 . . 1331 123 112 PHE HD2 H 6.517 . . 1332 123 112 PHE HE1 H 7.200 . . 1333 123 112 PHE HE2 H 7.200 . . 1334 123 112 PHE C C 177.115 . . 1335 123 112 PHE CA C 59.721 . . 1336 123 112 PHE CB C 39.474 . . 1337 123 112 PHE CD1 C 130.709 . . 1338 123 112 PHE CD2 C 130.709 . . 1339 123 112 PHE CE1 C 130.208 . . 1340 123 112 PHE CE2 C 130.208 . . 1341 123 112 PHE N N 123.854 . . 1342 124 113 ARG H H 8.791 . . 1343 124 113 ARG HA H 3.578 . . 1344 124 113 ARG HB2 H 1.878 . . 1345 124 113 ARG HB3 H 1.876 . . 1346 124 113 ARG HG2 H 1.592 . . 1347 124 113 ARG HG3 H 1.592 . . 1348 124 113 ARG HD2 H 3.081 . . 1349 124 113 ARG HD3 H 3.081 . . 1350 124 113 ARG HE H 7.537 . . 1351 124 113 ARG HH11 H 7.688 . . 1352 124 113 ARG HH12 H 7.688 . . 1353 124 113 ARG HH21 H 7.565 . . 1354 124 113 ARG HH22 H 7.565 . . 1355 124 113 ARG C C 178.877 . . 1356 124 113 ARG CA C 59.721 . . 1357 124 113 ARG CB C 29.956 . . 1358 124 113 ARG CG C 27.767 . . 1359 124 113 ARG CD C 43.963 . . 1360 124 113 ARG N N 117.224 . . 1361 124 113 ARG NE N 92.823 . . 1362 124 113 ARG NH1 N 91.684 . . 1363 124 113 ARG NH2 N 95.877 . . 1364 125 114 LYS H H 7.274 . . 1365 125 114 LYS HA H 4.040 . . 1366 125 114 LYS HB2 H 1.962 . . 1367 125 114 LYS HB3 H 1.962 . . 1368 125 114 LYS HG2 H 1.433 . . 1369 125 114 LYS HG3 H 1.611 . . 1370 125 114 LYS HD2 H 1.713 . . 1371 125 114 LYS HD3 H 1.714 . . 1372 125 114 LYS HE2 H 3.016 . . 1373 125 114 LYS HE3 H 3.016 . . 1374 125 114 LYS C C 179.585 . . 1375 125 114 LYS CA C 59.551 . . 1376 125 114 LYS CB C 32.223 . . 1377 125 114 LYS CG C 25.200 . . 1378 125 114 LYS CD C 29.281 . . 1379 125 114 LYS CE C 42.212 . . 1380 125 114 LYS N N 118.177 . . 1381 126 115 ILE H H 7.559 . . 1382 126 115 ILE HA H 3.824 . . 1383 126 115 ILE HB H 1.858 . . 1384 126 115 ILE HG12 H 1.624 . . 1385 126 115 ILE HG13 H 1.250 . . 1386 126 115 ILE HG2 H 0.878 . . 1387 126 115 ILE HD1 H 0.861 . . 1388 126 115 ILE C C 178.332 . . 1389 126 115 ILE CA C 64.499 . . 1390 126 115 ILE CB C 37.968 . . 1391 126 115 ILE CG1 C 28.925 . . 1392 126 115 ILE CG2 C 17.207 . . 1393 126 115 ILE CD1 C 14.165 . . 1394 126 115 ILE N N 120.319 . . 1395 127 116 MET H H 7.688 . . 1396 127 116 MET HA H 4.436 . . 1397 127 116 MET HB2 H 1.513 . . 1398 127 116 MET HB3 H 1.513 . . 1399 127 116 MET HG2 H 1.881 . . 1400 127 116 MET HG3 H 1.241 . . 1401 127 116 MET HE H 1.255 . . 1402 127 116 MET C C 177.860 . . 1403 127 116 MET CA C 54.469 . . 1404 127 116 MET CB C 29.905 . . 1405 127 116 MET CG C 31.158 . . 1406 127 116 MET N N 116.127 . . 1407 128 117 SER H H 7.569 . . 1408 128 117 SER HA H 4.387 . . 1409 128 117 SER HB2 H 3.998 . . 1410 128 117 SER HB3 H 3.998 . . 1411 128 117 SER C C 174.391 . . 1412 128 117 SER CA C 59.517 . . 1413 128 117 SER CB C 63.539 . . 1414 128 117 SER N N 114.365 . . 1415 129 118 MET H H 7.640 . . 1416 129 118 MET HA H 4.466 . . 1417 129 118 MET HB2 H 2.205 . . 1418 129 118 MET HB3 H 2.047 . . 1419 129 118 MET HG2 H 2.716 . . 1420 129 118 MET HG3 H 2.609 . . 1421 129 118 MET C C 175.190 . . 1422 129 118 MET CA C 55.943 . . 1423 129 118 MET CB C 33.100 . . 1424 129 118 MET CG C 32.207 . . 1425 129 118 MET N N 121.036 . . 1426 130 119 LYS H H 7.868 . . 1427 130 119 LYS HA H 4.131 . . 1428 130 119 LYS HB2 H 1.839 . . 1429 130 119 LYS HB3 H 1.741 . . 1430 130 119 LYS HG2 H 1.438 . . 1431 130 119 LYS HG3 H 1.438 . . 1432 130 119 LYS HD2 H 1.715 . . 1433 130 119 LYS HD3 H 1.715 . . 1434 130 119 LYS HE2 H 3.005 . . 1435 130 119 LYS HE3 H 3.005 . . 1436 130 119 LYS C C 181.310 . . 1437 130 119 LYS CA C 57.721 . . 1438 130 119 LYS CB C 33.708 . . 1439 130 119 LYS CG C 24.954 . . 1440 130 119 LYS CD C 29.281 . . 1441 130 119 LYS CE C 42.212 . . 1442 130 119 LYS N N 127.078 . . stop_ save_