data_34042 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural studies of the Aggregative Adherence Fimbriae of Enteroaggregative Escherichia coli ; _BMRB_accession_number 34042 _BMRB_flat_file_name bmr34042.str _Entry_type original _Submission_date 2016-09-14 _Accession_date 2016-09-14 _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 Liu B. . . 2 Matthews S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 771 "13C chemical shifts" 614 "15N chemical shifts" 130 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-10-13 original BMRB . stop_ _Original_release_date 2017-07-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural and functional studies of Escherichia coli aggregative adherence fimbriae (AAF/V) reveal a deficiency in extracellular matrix binding. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27939608 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jnsson R. . . 2 Liu B. . . 3 Struve C. . . 4 Yang Y. . . 5 Jrgensen R. . . 6 Xu Y. . . 7 Jenssen H. . . 8 Krogfelt K. A. . 9 Matthews S. . . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta' _Journal_volume 1865 _Journal_issue . _Journal_ASTM BBACAQ _Journal_ISSN 0006-3002 _Journal_CSD 0113 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 304 _Page_last 311 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Adhesin 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 16493.498 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 154 _Mol_residue_sequence ; NSCSLSISSPDPVTYTIPTD KGDKYINFKLDVPDPRCKAL GGTVYFWGADTRDGKLVMKK GQDKYTLMTTYGGAVQQQLG GGYGYYHVSQKTPPQTISGV VSKNVGYKPGQYTVELTGFF SLNDNKQANPTPSSLTSKAA GKNIVSSTGTITIS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 9 ASN 2 10 SER 3 11 CYS 4 12 SER 5 13 LEU 6 14 SER 7 15 ILE 8 16 SER 9 17 SER 10 18 PRO 11 19 ASP 12 20 PRO 13 21 VAL 14 22 THR 15 23 TYR 16 24 THR 17 25 ILE 18 26 PRO 19 27 THR 20 28 ASP 21 29 LYS 22 30 GLY 23 31 ASP 24 32 LYS 25 33 TYR 26 34 ILE 27 35 ASN 28 36 PHE 29 37 LYS 30 38 LEU 31 39 ASP 32 40 VAL 33 41 PRO 34 42 ASP 35 43 PRO 36 44 ARG 37 45 CYS 38 46 LYS 39 47 ALA 40 48 LEU 41 49 GLY 42 50 GLY 43 51 THR 44 52 VAL 45 53 TYR 46 54 PHE 47 55 TRP 48 56 GLY 49 57 ALA 50 58 ASP 51 59 THR 52 60 ARG 53 61 ASP 54 62 GLY 55 63 LYS 56 64 LEU 57 65 VAL 58 66 MET 59 67 LYS 60 68 LYS 61 69 GLY 62 70 GLN 63 71 ASP 64 72 LYS 65 73 TYR 66 74 THR 67 75 LEU 68 76 MET 69 77 THR 70 78 THR 71 79 TYR 72 80 GLY 73 81 GLY 74 82 ALA 75 83 VAL 76 84 GLN 77 85 GLN 78 86 GLN 79 87 LEU 80 88 GLY 81 89 GLY 82 90 GLY 83 91 TYR 84 92 GLY 85 93 TYR 86 94 TYR 87 95 HIS 88 96 VAL 89 97 SER 90 98 GLN 91 99 LYS 92 100 THR 93 101 PRO 94 102 PRO 95 103 GLN 96 104 THR 97 105 ILE 98 106 SER 99 107 GLY 100 108 VAL 101 109 VAL 102 110 SER 103 111 LYS 104 112 ASN 105 113 VAL 106 114 GLY 107 115 TYR 108 116 LYS 109 117 PRO 110 118 GLY 111 119 GLN 112 120 TYR 113 121 THR 114 122 VAL 115 123 GLU 116 124 LEU 117 125 THR 118 126 GLY 119 127 PHE 120 128 PHE 121 129 SER 122 130 LEU 123 131 ASN 124 132 ASP 125 133 ASN 126 134 LYS 127 135 GLN 128 136 ALA 129 137 ASN 130 138 PRO 131 139 THR 132 140 PRO 133 141 SER 134 142 SER 135 143 LEU 136 144 THR 137 145 SER 138 146 LYS 139 147 ALA 140 148 ALA 141 149 GLY 142 150 LYS 143 151 ASN 144 152 ILE 145 153 VAL 146 154 SER 147 155 SER 148 156 THR 149 157 GLY 150 158 THR 151 159 ILE 152 160 THR 153 161 ILE 154 162 SER 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 'E. coli' 562 Bacteria . Escherichia coli aaf5A '660582, Escherichia coli O111:H21' 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' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '50 mM U sodium acetate, 0.05 uM U sodium chloride, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 . mM na 'sodium acetate' 50 mM 'natural abundance' 'sodium chloride' 50 nM '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 '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_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _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' 100 . mM pH 5.0 . pH pressure 1 . bar 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 HNCO' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D 1H-13C NOESY' '3D 1H-15N NOESY' '3D HCCH-TOCSY' '3D H(CCO)NH' 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 9 1 ASN H H 8.600 . . 2 9 1 ASN HA H 4.813 . . 3 9 1 ASN HB2 H 2.868 . . 4 9 1 ASN HB3 H 2.789 . . 5 9 1 ASN C C 175.140 . . 6 9 1 ASN CA C 53.674 . . 7 9 1 ASN CB C 38.923 . . 8 9 1 ASN N N 120.729 . . 9 10 2 SER H H 8.325 . . 10 10 2 SER HA H 4.500 . . 11 10 2 SER HB2 H 3.890 . . 12 10 2 SER HB3 H 3.890 . . 13 10 2 SER C C 174.470 . . 14 10 2 SER CA C 58.540 . . 15 10 2 SER CB C 22.675 . . 16 10 2 SER N N 116.128 . . 17 11 3 CYS H H 8.766 . . 18 11 3 CYS HA H 4.887 . . 19 11 3 CYS HB2 H 3.276 . . 20 11 3 CYS HB3 H 3.007 . . 21 11 3 CYS C C 174.523 . . 22 11 3 CYS CA C 54.363 . . 23 11 3 CYS CB C 41.167 . . 24 11 3 CYS N N 120.125 . . 25 12 4 SER H H 8.303 . . 26 12 4 SER HA H 5.020 . . 27 12 4 SER HB2 H 3.876 . . 28 12 4 SER HB3 H 3.791 . . 29 12 4 SER C C 173.171 . . 30 12 4 SER CA C 57.800 . . 31 12 4 SER CB C 24.179 . . 32 12 4 SER N N 116.278 . . 33 13 5 LEU H H 8.304 . . 34 13 5 LEU HA H 4.426 . . 35 13 5 LEU HB2 H 1.800 . . 36 13 5 LEU HB3 H 1.408 . . 37 13 5 LEU HG H 0.638 . . 38 13 5 LEU HD1 H 0.627 . . 39 13 5 LEU HD2 H 0.905 . . 40 13 5 LEU C C 175.292 . . 41 13 5 LEU CA C 54.543 . . 42 13 5 LEU CB C 44.986 . . 43 13 5 LEU CG C 25.900 . . 44 13 5 LEU CD1 C 26.100 . . 45 13 5 LEU CD2 C 24.103 . . 46 13 5 LEU N N 124.318 . . 47 14 6 SER H H 9.003 . . 48 14 6 SER HA H 4.757 . . 49 14 6 SER HB2 H 3.671 . . 50 14 6 SER HB3 H 3.558 . . 51 14 6 SER C C 173.267 . . 52 14 6 SER CA C 56.795 . . 53 14 6 SER CB C 24.000 . . 54 14 6 SER N N 119.456 . . 55 15 7 ILE H H 8.405 . . 56 15 7 ILE HA H 4.727 . . 57 15 7 ILE HB H 1.518 . . 58 15 7 ILE HG12 H 0.644 . . 59 15 7 ILE HG13 H 1.350 . . 60 15 7 ILE HG2 H 1.011 . . 61 15 7 ILE HD1 H 0.412 . . 62 15 7 ILE C C 176.049 . . 63 15 7 ILE CA C 60.479 . . 64 15 7 ILE CB C 40.294 . . 65 15 7 ILE CG1 C 26.448 . . 66 15 7 ILE CG2 C 59.906 . . 67 15 7 ILE CD1 C 54.584 . . 68 15 7 ILE N N 123.860 . . 69 16 8 SER H H 9.058 . . 70 16 8 SER HA H 4.496 . . 71 16 8 SER HB2 H 4.033 . . 72 16 8 SER HB3 H 3.952 . . 73 16 8 SER C C 173.372 . . 74 16 8 SER CA C 58.500 . . 75 16 8 SER CB C 22.385 . . 76 16 8 SER N N 123.942 . . 77 17 9 SER H H 8.608 . . 78 17 9 SER HA H 4.813 . . 79 17 9 SER HB2 H 4.002 . . 80 17 9 SER HB3 H 3.853 . . 81 17 9 SER C C 172.888 . . 82 17 9 SER CA C 55.435 . . 83 17 9 SER CB C 22.467 . . 84 17 9 SER N N 117.857 . . 85 20 12 PRO HA H 4.671 . . 86 20 12 PRO HB2 H 2.253 . . 87 20 12 PRO HB3 H 1.813 . . 88 20 12 PRO HG2 H 2.072 . . 89 20 12 PRO HG3 H 2.075 . . 90 20 12 PRO HD2 H 3.733 . . 91 20 12 PRO HD3 H 3.878 . . 92 20 12 PRO C C 177.001 . . 93 20 12 PRO CA C 22.294 . . 94 20 12 PRO CB C 32.214 . . 95 20 12 PRO CG C 27.379 . . 96 20 12 PRO CD C 50.402 . . 97 21 13 VAL H H 8.035 . . 98 21 13 VAL HA H 4.416 . . 99 21 13 VAL HB H 1.908 . . 100 21 13 VAL HG1 H 0.966 . . 101 21 13 VAL HG2 H 0.785 . . 102 21 13 VAL C C 175.681 . . 103 21 13 VAL CA C 61.031 . . 104 21 13 VAL CB C 35.070 . . 105 21 13 VAL CG1 C 21.800 . . 106 21 13 VAL CG2 C 21.292 . . 107 21 13 VAL N N 122.730 . . 108 22 14 THR H H 8.754 . . 109 22 14 THR HA H 5.172 . . 110 22 14 THR HB H 4.031 . . 111 22 14 THR HG2 H 1.088 . . 112 22 14 THR C C 172.241 . . 113 22 14 THR CA C 60.700 . . 114 22 14 THR CB C 29.629 . . 115 22 14 THR CG2 C 21.294 . . 116 22 14 THR N N 123.074 . . 117 23 15 TYR H H 9.000 . . 118 23 15 TYR HA H 4.766 . . 119 23 15 TYR HB2 H 3.110 . . 120 23 15 TYR HB3 H 2.186 . . 121 23 15 TYR HD1 H 6.716 . . 122 23 15 TYR HD2 H 6.716 . . 123 23 15 TYR HE1 H 6.809 . . 124 23 15 TYR HE2 H 6.809 . . 125 23 15 TYR C C 173.872 . . 126 23 15 TYR CA C 57.052 . . 127 23 15 TYR CB C 42.600 . . 128 23 15 TYR CD1 C 90.775 . . 129 23 15 TYR CD2 C 90.775 . . 130 23 15 TYR CE1 C 77.555 . . 131 23 15 TYR CE2 C 77.555 . . 132 23 15 TYR N N 128.842 . . 133 24 16 THR H H 9.129 . . 134 24 16 THR HA H 4.790 . . 135 24 16 THR HB H 3.711 . . 136 24 16 THR HG2 H 1.071 . . 137 24 16 THR C C 172.816 . . 138 24 16 THR CA C 60.700 . . 139 24 16 THR CB C 29.003 . . 140 24 16 THR CG2 C 21.379 . . 141 24 16 THR N N 125.745 . . 142 25 17 ILE H H 8.864 . . 143 25 17 ILE HA H 4.568 . . 144 25 17 ILE HB H 1.938 . . 145 25 17 ILE HG12 H 1.662 . . 146 25 17 ILE HG13 H 1.307 . . 147 25 17 ILE HG2 H 0.918 . . 148 25 17 ILE HD1 H 1.020 . . 149 25 17 ILE C C 176.590 . . 150 25 17 ILE CA C 57.990 . . 151 25 17 ILE CB C 39.712 . . 152 25 17 ILE CG1 C 27.654 . . 153 25 17 ILE CG2 C 57.835 . . 154 25 17 ILE CD1 C 54.948 . . 155 25 17 ILE N N 128.572 . . 156 26 18 PRO HA H 4.446 . . 157 26 18 PRO HB2 H 2.368 . . 158 26 18 PRO HB3 H 1.856 . . 159 26 18 PRO HG2 H 1.986 . . 160 26 18 PRO HG3 H 1.984 . . 161 26 18 PRO HD2 H 3.869 . . 162 26 18 PRO HD3 H 3.777 . . 163 26 18 PRO C C 177.351 . . 164 26 18 PRO CA C 24.181 . . 165 26 18 PRO CB C 31.953 . . 166 26 18 PRO CG C 27.266 . . 167 26 18 PRO CD C 51.166 . . 168 27 19 THR H H 7.100 . . 169 27 19 THR HA H 4.431 . . 170 27 19 THR HB H 4.118 . . 171 27 19 THR HG2 H 1.100 . . 172 27 19 THR C C 174.491 . . 173 27 19 THR CA C 21.018 . . 174 27 19 THR CB C 29.218 . . 175 27 19 THR CG2 C 21.755 . . 176 27 19 THR N N 105.400 . . 177 28 20 ASP H H 8.251 . . 178 28 20 ASP HA H 4.659 . . 179 28 20 ASP HB2 H 2.217 . . 180 28 20 ASP HB3 H 2.217 . . 181 28 20 ASP C C 175.552 . . 182 28 20 ASP CA C 55.778 . . 183 28 20 ASP CB C 41.171 . . 184 28 20 ASP N N 124.142 . . 185 29 21 LYS HA H 4.476 . . 186 29 21 LYS HB2 H 1.978 . . 187 29 21 LYS HB3 H 1.718 . . 188 29 21 LYS HG2 H 1.482 . . 189 29 21 LYS HG3 H 1.436 . . 190 29 21 LYS HD2 H 1.680 . . 191 29 21 LYS HD3 H 1.710 . . 192 29 21 LYS HE2 H 3.012 . . 193 29 21 LYS HE3 H 3.018 . . 194 29 21 LYS C C 176.915 . . 195 29 21 LYS CA C 55.473 . . 196 29 21 LYS CB C 33.691 . . 197 29 21 LYS CG C 24.643 . . 198 29 21 LYS CD C 28.694 . . 199 29 21 LYS CE C 42.028 . . 200 30 22 GLY H H 8.132 . . 201 30 22 GLY HA2 H 4.306 . . 202 30 22 GLY HA3 H 3.930 . . 203 30 22 GLY C C 173.063 . . 204 30 22 GLY CA C 44.100 . . 205 30 22 GLY N N 108.175 . . 206 31 23 ASP H H 8.350 . . 207 31 23 ASP HA H 5.001 . . 208 31 23 ASP HB2 H 2.318 . . 209 31 23 ASP HB3 H 2.318 . . 210 31 23 ASP C C 176.021 . . 211 31 23 ASP CA C 54.482 . . 212 31 23 ASP CB C 41.474 . . 213 31 23 ASP N N 121.280 . . 214 32 24 LYS H H 8.394 . . 215 32 24 LYS HA H 4.506 . . 216 32 24 LYS HB2 H 1.729 . . 217 32 24 LYS HB3 H 1.266 . . 218 32 24 LYS HG2 H 1.474 . . 219 32 24 LYS HG3 H 1.393 . . 220 32 24 LYS HD2 H 1.698 . . 221 32 24 LYS HD3 H 1.776 . . 222 32 24 LYS HE2 H 3.010 . . 223 32 24 LYS HE3 H 2.926 . . 224 32 24 LYS C C 173.600 . . 225 32 24 LYS CA C 54.966 . . 226 32 24 LYS CB C 36.492 . . 227 32 24 LYS CG C 26.424 . . 228 32 24 LYS CD C 29.363 . . 229 32 24 LYS CE C 42.379 . . 230 32 24 LYS N N 119.407 . . 231 33 25 TYR H H 8.110 . . 232 33 25 TYR HA H 5.456 . . 233 33 25 TYR HB2 H 2.827 . . 234 33 25 TYR HB3 H 2.648 . . 235 33 25 TYR HD1 H 6.938 . . 236 33 25 TYR HD2 H 6.938 . . 237 33 25 TYR HE1 H 6.700 . . 238 33 25 TYR HE2 H 6.700 . . 239 33 25 TYR C C 174.838 . . 240 33 25 TYR CA C 56.428 . . 241 33 25 TYR CB C 41.250 . . 242 33 25 TYR CD1 C 92.475 . . 243 33 25 TYR CD2 C 92.475 . . 244 33 25 TYR CE1 C 77.375 . . 245 33 25 TYR CE2 C 77.375 . . 246 33 25 TYR N N 117.302 . . 247 34 26 ILE H H 9.038 . . 248 34 26 ILE HA H 4.568 . . 249 34 26 ILE HB H 1.376 . . 250 34 26 ILE HG12 H 1.282 . . 251 34 26 ILE HG13 H 0.616 . . 252 34 26 ILE HG2 H 0.905 . . 253 34 26 ILE HD1 H 0.601 . . 254 34 26 ILE C C 173.372 . . 255 34 26 ILE CA C 58.000 . . 256 34 26 ILE CB C 40.700 . . 257 34 26 ILE CG1 C 28.772 . . 258 34 26 ILE CG2 C 56.342 . . 259 34 26 ILE CD1 C 55.325 . . 260 34 26 ILE N N 121.086 . . 261 35 27 ASN H H 8.231 . . 262 35 27 ASN HA H 5.496 . . 263 35 27 ASN HB2 H 2.587 . . 264 35 27 ASN HB3 H 2.178 . . 265 35 27 ASN C C 173.839 . . 266 35 27 ASN CA C 52.084 . . 267 35 27 ASN CB C 41.193 . . 268 35 27 ASN N N 124.500 . . 269 36 28 PHE H H 9.364 . . 270 36 28 PHE HA H 4.364 . . 271 36 28 PHE HB2 H 2.784 . . 272 36 28 PHE HB3 H 2.478 . . 273 36 28 PHE HD1 H 7.128 . . 274 36 28 PHE HD2 H 7.122 . . 275 36 28 PHE HE1 H 6.971 . . 276 36 28 PHE HE2 H 6.971 . . 277 36 28 PHE C C 174.173 . . 278 36 28 PHE CA C 56.709 . . 279 36 28 PHE CB C 42.668 . . 280 36 28 PHE CD1 C 91.835 . . 281 36 28 PHE CD2 C 91.835 . . 282 36 28 PHE CE1 C 90.575 . . 283 36 28 PHE CE2 C 90.575 . . 284 36 28 PHE N N 122.012 . . 285 37 29 LYS H H 8.529 . . 286 37 29 LYS HA H 5.046 . . 287 37 29 LYS HB2 H 1.558 . . 288 37 29 LYS HB3 H 1.558 . . 289 37 29 LYS HG2 H 1.198 . . 290 37 29 LYS HG3 H 1.136 . . 291 37 29 LYS HD2 H 1.525 . . 292 37 29 LYS HD3 H 1.489 . . 293 37 29 LYS HE2 H 2.755 . . 294 37 29 LYS HE3 H 2.755 . . 295 37 29 LYS C C 175.541 . . 296 37 29 LYS CA C 54.900 . . 297 37 29 LYS CB C 34.023 . . 298 37 29 LYS CG C 24.806 . . 299 37 29 LYS CD C 28.988 . . 300 37 29 LYS CE C 41.464 . . 301 37 29 LYS N N 121.350 . . 302 38 30 LEU H H 9.398 . . 303 38 30 LEU HA H 5.242 . . 304 38 30 LEU HB2 H 1.738 . . 305 38 30 LEU HB3 H 1.526 . . 306 38 30 LEU HG H 1.587 . . 307 38 30 LEU HD1 H 0.518 . . 308 38 30 LEU HD2 H 0.518 . . 309 38 30 LEU C C 175.189 . . 310 38 30 LEU CA C 54.468 . . 311 38 30 LEU CB C 44.745 . . 312 38 30 LEU CG C 30.078 . . 313 38 30 LEU CD1 C 25.173 . . 314 38 30 LEU CD2 C 25.161 . . 315 38 30 LEU N N 130.530 . . 316 39 31 ASP H H 8.492 . . 317 39 31 ASP HA H 4.906 . . 318 39 31 ASP HB2 H 2.638 . . 319 39 31 ASP HB3 H 2.208 . . 320 39 31 ASP C C 173.453 . . 321 39 31 ASP CA C 52.553 . . 322 39 31 ASP CB C 44.599 . . 323 39 31 ASP N N 115.284 . . 324 40 32 VAL H H 7.639 . . 325 40 32 VAL HA H 4.447 . . 326 40 32 VAL HB H 1.361 . . 327 40 32 VAL HG1 H 0.114 . . 328 40 32 VAL HG2 H 0.097 . . 329 40 32 VAL C C 173.647 . . 330 40 32 VAL CA C 59.000 . . 331 40 32 VAL CB C 32.314 . . 332 40 32 VAL CG1 C 20.343 . . 333 40 32 VAL CG2 C 20.325 . . 334 40 32 VAL N N 122.000 . . 335 41 33 PRO CD C 50.551 . . 336 43 35 PRO HA H 4.186 . . 337 43 35 PRO HB2 H 2.038 . . 338 43 35 PRO HB3 H 2.442 . . 339 43 35 PRO HG2 H 2.090 . . 340 43 35 PRO HG3 H 2.090 . . 341 43 35 PRO HD2 H 3.968 . . 342 43 35 PRO HD3 H 3.968 . . 343 43 35 PRO CA C 23.875 . . 344 43 35 PRO CB C 32.242 . . 345 43 35 PRO CG C 27.230 . . 346 43 35 PRO CD C 51.378 . . 347 44 36 ARG H H 8.400 . . 348 44 36 ARG HA H 4.114 . . 349 44 36 ARG HB2 H 1.918 . . 350 44 36 ARG HB3 H 1.928 . . 351 44 36 ARG HG2 H 1.709 . . 352 44 36 ARG HG3 H 1.613 . . 353 44 36 ARG HD2 H 3.252 . . 354 44 36 ARG HD3 H 3.246 . . 355 44 36 ARG C C 179.227 . . 356 44 36 ARG CA C 58.800 . . 357 44 36 ARG CB C 29.611 . . 358 44 36 ARG CG C 27.091 . . 359 44 36 ARG CD C 43.170 . . 360 44 36 ARG N N 119.410 . . 361 45 37 CYS H H 7.614 . . 362 45 37 CYS HA H 4.256 . . 363 45 37 CYS HB2 H 3.287 . . 364 45 37 CYS HB3 H 2.528 . . 365 45 37 CYS C C 175.950 . . 366 45 37 CYS CA C 59.242 . . 367 45 37 CYS CB C 41.504 . . 368 45 37 CYS N N 117.975 . . 369 46 38 LYS H H 7.446 . . 370 46 38 LYS HA H 3.487 . . 371 46 38 LYS HB2 H 1.783 . . 372 46 38 LYS HB3 H 1.697 . . 373 46 38 LYS HG2 H 1.404 . . 374 46 38 LYS HG3 H 1.404 . . 375 46 38 LYS HD2 H 1.803 . . 376 46 38 LYS HD3 H 1.790 . . 377 46 38 LYS HE2 H 3.118 . . 378 46 38 LYS HE3 H 2.916 . . 379 46 38 LYS C C 176.828 . . 380 46 38 LYS CA C 60.295 . . 381 46 38 LYS CB C 32.127 . . 382 46 38 LYS CG C 26.776 . . 383 46 38 LYS CD C 29.302 . . 384 46 38 LYS CE C 42.147 . . 385 46 38 LYS N N 118.077 . . 386 47 39 ALA H H 7.524 . . 387 47 39 ALA HA H 3.937 . . 388 47 39 ALA HB H 1.508 . . 389 47 39 ALA C C 180.355 . . 390 47 39 ALA CA C 54.343 . . 391 47 39 ALA CB C 59.077 . . 392 47 39 ALA N N 116.353 . . 393 48 40 LEU H H 7.396 . . 394 48 40 LEU HA H 4.197 . . 395 48 40 LEU HB2 H 2.118 . . 396 48 40 LEU HB3 H 1.718 . . 397 48 40 LEU HG H 1.975 . . 398 48 40 LEU HD1 H 0.963 . . 399 48 40 LEU HD2 H 0.983 . . 400 48 40 LEU C C 179.122 . . 401 48 40 LEU CA C 57.371 . . 402 48 40 LEU CB C 42.614 . . 403 48 40 LEU CG C 27.091 . . 404 48 40 LEU CD1 C 22.873 . . 405 48 40 LEU CD2 C 22.837 . . 406 48 40 LEU N N 118.948 . . 407 49 41 GLY H H 7.498 . . 408 49 41 GLY HA2 H 4.367 . . 409 49 41 GLY HA3 H 3.964 . . 410 49 41 GLY C C 172.631 . . 411 49 41 GLY CA C 44.193 . . 412 49 41 GLY N N 106.630 . . 413 50 42 GLY H H 7.960 . . 414 50 42 GLY HA2 H 4.492 . . 415 50 42 GLY HA3 H 3.957 . . 416 50 42 GLY CA C 46.229 . . 417 50 42 GLY N N 103.800 . . 418 51 43 THR H H 8.473 . . 419 51 43 THR HA H 4.864 . . 420 51 43 THR HB H 3.547 . . 421 51 43 THR HG2 H 0.382 . . 422 51 43 THR C C 172.009 . . 423 51 43 THR CA C 20.975 . . 424 51 43 THR CB C 31.066 . . 425 51 43 THR CG2 C 21.592 . . 426 51 43 THR N N 119.173 . . 427 52 44 VAL H H 8.524 . . 428 52 44 VAL HA H 4.350 . . 429 52 44 VAL HB H 0.697 . . 430 52 44 VAL HG1 H 0.768 . . 431 52 44 VAL HG2 H 0.620 . . 432 52 44 VAL C C 173.291 . . 433 52 44 VAL CA C 20.803 . . 434 52 44 VAL CB C 33.100 . . 435 52 44 VAL CG1 C 23.525 . . 436 52 44 VAL CG2 C 23.225 . . 437 52 44 VAL N N 127.600 . . 438 53 45 TYR H H 8.308 . . 439 53 45 TYR HA H 5.252 . . 440 53 45 TYR HB2 H 2.622 . . 441 53 45 TYR HB3 H 1.999 . . 442 53 45 TYR HD1 H 6.322 . . 443 53 45 TYR HD2 H 6.322 . . 444 53 45 TYR HE1 H 6.322 . . 445 53 45 TYR HE2 H 6.317 . . 446 53 45 TYR CA C 56.394 . . 447 53 45 TYR CB C 42.447 . . 448 53 45 TYR CD1 C 93.725 . . 449 53 45 TYR CD2 C 93.725 . . 450 53 45 TYR CE1 C 75.755 . . 451 53 45 TYR CE2 C 75.755 . . 452 53 45 TYR N N 124.200 . . 453 54 46 PHE HA H 5.646 . . 454 54 46 PHE HB2 H 2.684 . . 455 54 46 PHE HB3 H 2.684 . . 456 54 46 PHE HD1 H 6.700 . . 457 54 46 PHE HD2 H 6.700 . . 458 54 46 PHE C C 174.098 . . 459 54 46 PHE CA C 56.574 . . 460 54 46 PHE CB C 40.849 . . 461 54 46 PHE CD1 C 91.655 . . 462 54 46 PHE CD2 C 91.655 . . 463 55 47 TRP H H 9.280 . . 464 55 47 TRP HA H 5.016 . . 465 55 47 TRP HB2 H 4.037 . . 466 55 47 TRP HB3 H 3.407 . . 467 55 47 TRP HD1 H 7.231 . . 468 55 47 TRP HE1 H 10.168 . . 469 55 47 TRP HZ2 H 7.323 . . 470 55 47 TRP HH2 H 7.029 . . 471 55 47 TRP C C 175.241 . . 472 55 47 TRP CA C 57.880 . . 473 55 47 TRP CB C 31.410 . . 474 55 47 TRP CD1 C 88.075 . . 475 55 47 TRP CZ2 C 74.595 . . 476 55 47 TRP CH2 C 80.975 . . 477 55 47 TRP N N 116.200 . . 478 55 47 TRP NE1 N 129.300 . . 479 56 48 GLY H H 8.746 . . 480 56 48 GLY HA2 H 4.736 . . 481 56 48 GLY HA3 H 3.697 . . 482 56 48 GLY C C 173.718 . . 483 56 48 GLY CA C 43.525 . . 484 56 48 GLY N N 109.095 . . 485 57 49 ALA H H 8.885 . . 486 57 49 ALA HA H 4.426 . . 487 57 49 ALA HB H 1.548 . . 488 57 49 ALA C C 177.823 . . 489 57 49 ALA CA C 52.879 . . 490 57 49 ALA CB C 60.554 . . 491 57 49 ALA N N 118.443 . . 492 58 50 ASP HA H 4.622 . . 493 58 50 ASP HB2 H 3.217 . . 494 58 50 ASP HB3 H 2.562 . . 495 58 50 ASP CA C 54.106 . . 496 58 50 ASP CB C 41.164 . . 497 59 51 THR H H 8.233 . . 498 59 51 THR HA H 4.127 . . 499 59 51 THR HB H 4.366 . . 500 59 51 THR HG2 H 1.319 . . 501 59 51 THR C C 175.333 . . 502 59 51 THR CA C 22.284 . . 503 59 51 THR CB C 27.875 . . 504 59 51 THR CG2 C 22.082 . . 505 59 51 THR N N 119.642 . . 506 60 52 ARG H H 8.414 . . 507 60 52 ARG HA H 4.266 . . 508 60 52 ARG HB2 H 2.000 . . 509 60 52 ARG HB3 H 1.923 . . 510 60 52 ARG HG2 H 1.659 . . 511 60 52 ARG HG3 H 1.621 . . 512 60 52 ARG HD2 H 3.248 . . 513 60 52 ARG HD3 H 3.247 . . 514 60 52 ARG C C 177.076 . . 515 60 52 ARG CA C 58.700 . . 516 60 52 ARG CB C 30.069 . . 517 60 52 ARG CG C 27.000 . . 518 60 52 ARG CD C 43.019 . . 519 60 52 ARG N N 122.448 . . 520 61 53 ASP H H 8.079 . . 521 61 53 ASP HA H 4.918 . . 522 61 53 ASP HB2 H 2.827 . . 523 61 53 ASP HB3 H 2.827 . . 524 61 53 ASP C C 176.157 . . 525 61 53 ASP CA C 54.196 . . 526 61 53 ASP CB C 44.030 . . 527 61 53 ASP N N 114.015 . . 528 62 54 GLY H H 7.996 . . 529 62 54 GLY HA2 H 3.960 . . 530 62 54 GLY HA3 H 3.960 . . 531 62 54 GLY C C 174.751 . . 532 62 54 GLY CA C 46.309 . . 533 62 54 GLY N N 109.170 . . 534 63 55 LYS HA H 4.097 . . 535 63 55 LYS HB2 H 2.508 . . 536 63 55 LYS HB3 H 1.817 . . 537 63 55 LYS HG2 H 1.549 . . 538 63 55 LYS HG3 H 1.549 . . 539 63 55 LYS HD2 H 1.869 . . 540 63 55 LYS HD3 H 1.869 . . 541 63 55 LYS HE2 H 3.235 . . 542 63 55 LYS HE3 H 3.237 . . 543 63 55 LYS C C 175.523 . . 544 63 55 LYS CA C 57.737 . . 545 63 55 LYS CB C 33.865 . . 546 63 55 LYS CG C 27.969 . . 547 63 55 LYS CD C 29.990 . . 548 63 55 LYS CE C 42.731 . . 549 64 56 LEU H H 7.867 . . 550 64 56 LEU HA H 4.426 . . 551 64 56 LEU HB2 H 1.818 . . 552 64 56 LEU HB3 H 1.219 . . 553 64 56 LEU HG H 1.824 . . 554 64 56 LEU HD1 H 0.865 . . 555 64 56 LEU HD2 H 0.789 . . 556 64 56 LEU C C 175.760 . . 557 64 56 LEU CA C 55.412 . . 558 64 56 LEU CB C 43.309 . . 559 64 56 LEU CG C 26.700 . . 560 64 56 LEU CD1 C 26.250 . . 561 64 56 LEU CD2 C 23.488 . . 562 64 56 LEU N N 116.573 . . 563 65 57 VAL H H 8.636 . . 564 65 57 VAL HA H 4.876 . . 565 65 57 VAL HB H 1.858 . . 566 65 57 VAL HG1 H 0.854 . . 567 65 57 VAL HG2 H 1.000 . . 568 65 57 VAL C C 175.608 . . 569 65 57 VAL CA C 60.509 . . 570 65 57 VAL CB C 37.100 . . 571 65 57 VAL CG1 C 21.379 . . 572 65 57 VAL CG2 C 22.758 . . 573 65 57 VAL N N 118.930 . . 574 66 58 MET H H 9.231 . . 575 66 58 MET HA H 5.156 . . 576 66 58 MET HB2 H 1.897 . . 577 66 58 MET HB3 H 1.784 . . 578 66 58 MET HG2 H 2.439 . . 579 66 58 MET HG3 H 2.200 . . 580 66 58 MET C C 174.823 . . 581 66 58 MET CA C 54.002 . . 582 66 58 MET CB C 36.471 . . 583 66 58 MET CG C 31.660 . . 584 66 58 MET N N 125.911 . . 585 67 59 LYS H H 9.400 . . 586 67 59 LYS HA H 5.426 . . 587 67 59 LYS HB2 H 1.978 . . 588 67 59 LYS HB3 H 1.768 . . 589 67 59 LYS HG2 H 1.466 . . 590 67 59 LYS HG3 H 1.377 . . 591 67 59 LYS HD2 H 1.734 . . 592 67 59 LYS HD3 H 1.734 . . 593 67 59 LYS HE2 H 3.033 . . 594 67 59 LYS HE3 H 3.033 . . 595 67 59 LYS C C 175.174 . . 596 67 59 LYS CA C 55.750 . . 597 67 59 LYS CB C 37.173 . . 598 67 59 LYS CG C 25.245 . . 599 67 59 LYS CD C 29.639 . . 600 67 59 LYS CE C 42.116 . . 601 67 59 LYS N N 125.098 . . 602 68 60 LYS H H 8.908 . . 603 68 60 LYS HA H 4.416 . . 604 68 60 LYS HB2 H 1.246 . . 605 68 60 LYS HB3 H 0.753 . . 606 68 60 LYS HG2 H 1.456 . . 607 68 60 LYS HG3 H 1.452 . . 608 68 60 LYS HD2 H 1.652 . . 609 68 60 LYS HD3 H 1.652 . . 610 68 60 LYS HE2 H 2.957 . . 611 68 60 LYS HE3 H 2.957 . . 612 68 60 LYS C C 175.919 . . 613 68 60 LYS CA C 55.933 . . 614 68 60 LYS CB C 32.030 . . 615 68 60 LYS CG C 21.934 . . 616 68 60 LYS CD C 28.645 . . 617 68 60 LYS CE C 39.731 . . 618 68 60 LYS N N 127.559 . . 619 69 61 GLY H H 9.148 . . 620 69 61 GLY HA2 H 4.017 . . 621 69 61 GLY HA3 H 3.677 . . 622 69 61 GLY C C 175.157 . . 623 69 61 GLY CA C 47.493 . . 624 69 61 GLY N N 118.546 . . 625 70 62 GLN H H 9.055 . . 626 70 62 GLN HA H 4.260 . . 627 70 62 GLN HB2 H 2.278 . . 628 70 62 GLN HB3 H 1.998 . . 629 70 62 GLN HG2 H 2.434 . . 630 70 62 GLN HG3 H 2.380 . . 631 70 62 GLN C C 176.092 . . 632 70 62 GLN CA C 56.039 . . 633 70 62 GLN CB C 29.165 . . 634 70 62 GLN CG C 33.681 . . 635 70 62 GLN N N 125.418 . . 636 71 63 ASP H H 8.278 . . 637 71 63 ASP HA H 4.786 . . 638 71 63 ASP HB2 H 2.987 . . 639 71 63 ASP HB3 H 2.698 . . 640 71 63 ASP C C 173.734 . . 641 71 63 ASP CA C 55.004 . . 642 71 63 ASP CB C 42.379 . . 643 71 63 ASP N N 121.030 . . 644 72 64 LYS H H 8.032 . . 645 72 64 LYS HA H 5.520 . . 646 72 64 LYS HB2 H 1.694 . . 647 72 64 LYS HB3 H 1.590 . . 648 72 64 LYS HG2 H 1.286 . . 649 72 64 LYS HG3 H 1.286 . . 650 72 64 LYS HD2 H 1.600 . . 651 72 64 LYS HD3 H 1.600 . . 652 72 64 LYS HE2 H 2.989 . . 653 72 64 LYS HE3 H 2.987 . . 654 72 64 LYS C C 174.858 . . 655 72 64 LYS CA C 54.707 . . 656 72 64 LYS CB C 35.774 . . 657 72 64 LYS CG C 24.019 . . 658 72 64 LYS CD C 29.481 . . 659 72 64 LYS CE C 42.116 . . 660 72 64 LYS N N 120.859 . . 661 73 65 TYR H H 8.766 . . 662 73 65 TYR HA H 4.858 . . 663 73 65 TYR HB2 H 3.238 . . 664 73 65 TYR HB3 H 2.738 . . 665 73 65 TYR HD1 H 7.059 . . 666 73 65 TYR HD2 H 7.061 . . 667 73 65 TYR HE1 H 7.198 . . 668 73 65 TYR HE2 H 7.198 . . 669 73 65 TYR C C 174.924 . . 670 73 65 TYR CA C 57.069 . . 671 73 65 TYR CB C 41.395 . . 672 73 65 TYR CD1 C 93.640 . . 673 73 65 TYR CD2 C 93.640 . . 674 73 65 TYR CE1 C 77.915 . . 675 73 65 TYR CE2 C 77.915 . . 676 73 65 TYR N N 118.741 . . 677 74 66 THR H H 9.167 . . 678 74 66 THR HA H 4.606 . . 679 74 66 THR HB H 4.090 . . 680 74 66 THR HG2 H 1.281 . . 681 74 66 THR C C 174.373 . . 682 74 66 THR CA C 22.652 . . 683 74 66 THR CB C 27.769 . . 684 74 66 THR CG2 C 23.664 . . 685 74 66 THR N N 122.102 . . 686 75 67 LEU H H 9.327 . . 687 75 67 LEU HA H 4.751 . . 688 75 67 LEU HB2 H 1.461 . . 689 75 67 LEU HB3 H 1.540 . . 690 75 67 LEU HG H 1.544 . . 691 75 67 LEU HD1 H 0.530 . . 692 75 67 LEU HD2 H 0.789 . . 693 75 67 LEU C C 177.310 . . 694 75 67 LEU CA C 53.197 . . 695 75 67 LEU CB C 42.132 . . 696 75 67 LEU CG C 26.706 . . 697 75 67 LEU CD1 C 25.151 . . 698 75 67 LEU CD2 C 21.147 . . 699 75 67 LEU N N 128.917 . . 700 76 68 MET H H 9.000 . . 701 76 68 MET HA H 4.306 . . 702 76 68 MET HB2 H 2.182 . . 703 76 68 MET HB3 H 1.999 . . 704 76 68 MET C C 175.292 . . 705 76 68 MET CA C 57.693 . . 706 76 68 MET CB C 31.532 . . 707 76 68 MET N N 124.364 . . 708 77 69 THR H H 8.254 . . 709 77 69 THR HA H 5.739 . . 710 77 69 THR HB H 4.116 . . 711 77 69 THR HG2 H 1.250 . . 712 77 69 THR C C 173.588 . . 713 77 69 THR CA C 20.774 . . 714 77 69 THR CB C 30.637 . . 715 77 69 THR CG2 C 20.676 . . 716 77 69 THR N N 124.791 . . 717 78 70 THR H H 9.586 . . 718 78 70 THR HA H 5.739 . . 719 78 70 THR HB H 4.045 . . 720 78 70 THR HG2 H 1.242 . . 721 78 70 THR C C 172.520 . . 722 78 70 THR CA C 60.700 . . 723 78 70 THR CB C 30.893 . . 724 78 70 THR CG2 C 21.940 . . 725 78 70 THR N N 119.456 . . 726 79 71 TYR HA H 5.206 . . 727 79 71 TYR HB2 H 3.342 . . 728 79 71 TYR HB3 H 2.963 . . 729 79 71 TYR HD1 H 7.001 . . 730 79 71 TYR HD2 H 7.001 . . 731 79 71 TYR HE1 H 6.795 . . 732 79 71 TYR HE2 H 6.795 . . 733 79 71 TYR C C 173.939 . . 734 79 71 TYR CA C 55.785 . . 735 79 71 TYR CB C 40.089 . . 736 79 71 TYR CD1 C 93.011 . . 737 79 71 TYR CD2 C 93.011 . . 738 79 71 TYR CE1 C 77.466 . . 739 79 71 TYR CE2 C 77.466 . . 740 80 72 GLY H H 8.666 . . 741 80 72 GLY HA2 H 4.340 . . 742 80 72 GLY HA3 H 4.006 . . 743 80 72 GLY C C 174.900 . . 744 80 72 GLY CA C 45.113 . . 745 80 72 GLY N N 107.760 . . 746 82 74 ALA HA H 4.247 . . 747 82 74 ALA HB H 1.388 . . 748 82 74 ALA CA C 53.450 . . 749 82 74 ALA CB C 59.604 . . 750 83 75 VAL H H 7.620 . . 751 83 75 VAL HA H 3.999 . . 752 83 75 VAL HB H 2.042 . . 753 83 75 VAL CA C 21.162 . . 754 83 75 VAL CB C 32.011 . . 755 83 75 VAL CG1 C 21.292 . . 756 83 75 VAL CG2 C 21.297 . . 757 83 75 VAL N N 117.770 . . 758 85 77 GLN C C 174.075 . . 759 86 78 GLN C C 176.222 . . 760 88 80 GLY HA2 H 3.997 . . 761 88 80 GLY HA3 H 3.997 . . 762 88 80 GLY C C 174.902 . . 763 88 80 GLY CA C 45.058 . . 764 89 81 GLY H H 8.300 . . 765 89 81 GLY HA2 H 3.937 . . 766 89 81 GLY HA3 H 3.945 . . 767 89 81 GLY C C 174.478 . . 768 89 81 GLY CA C 45.486 . . 769 89 81 GLY N N 108.500 . . 770 90 82 GLY H H 7.875 . . 771 90 82 GLY HA2 H 4.217 . . 772 90 82 GLY HA3 H 3.157 . . 773 90 82 GLY C C 172.457 . . 774 90 82 GLY CA C 45.507 . . 775 90 82 GLY N N 106.363 . . 776 91 83 TYR H H 6.932 . . 777 91 83 TYR HA H 5.126 . . 778 91 83 TYR HB2 H 3.347 . . 779 91 83 TYR HB3 H 3.347 . . 780 91 83 TYR HD1 H 6.900 . . 781 91 83 TYR HD2 H 6.900 . . 782 91 83 TYR C C 173.301 . . 783 91 83 TYR CA C 56.881 . . 784 91 83 TYR CB C 38.643 . . 785 91 83 TYR CD1 C 93.575 . . 786 91 83 TYR CD2 C 93.575 . . 787 91 83 TYR N N 110.811 . . 788 92 84 GLY H H 8.947 . . 789 92 84 GLY HA2 H 4.523 . . 790 92 84 GLY HA3 H 2.698 . . 791 92 84 GLY C C 173.280 . . 792 92 84 GLY CA C 43.048 . . 793 92 84 GLY N N 106.826 . . 794 93 85 TYR HA H 5.790 . . 795 93 85 TYR HB2 H 2.991 . . 796 93 85 TYR HB3 H 2.284 . . 797 93 85 TYR HD1 H 6.587 . . 798 93 85 TYR HD2 H 6.587 . . 799 93 85 TYR HE1 H 6.589 . . 800 93 85 TYR HE2 H 6.590 . . 801 93 85 TYR C C 173.956 . . 802 93 85 TYR CA C 56.110 . . 803 93 85 TYR CB C 41.597 . . 804 93 85 TYR CD1 C 92.292 . . 805 93 85 TYR CD2 C 92.292 . . 806 93 85 TYR CE1 C 76.925 . . 807 93 85 TYR CE2 C 76.925 . . 808 94 86 TYR H H 8.420 . . 809 94 86 TYR HA H 4.720 . . 810 94 86 TYR HB2 H 3.122 . . 811 94 86 TYR HB3 H 3.122 . . 812 94 86 TYR HD1 H 6.839 . . 813 94 86 TYR HD2 H 6.839 . . 814 94 86 TYR C C 173.021 . . 815 94 86 TYR CA C 57.076 . . 816 94 86 TYR CB C 41.160 . . 817 94 86 TYR CD1 C 92.975 . . 818 94 86 TYR CD2 C 92.975 . . 819 94 86 TYR N N 111.949 . . 820 95 87 HIS H H 9.230 . . 821 95 87 HIS HA H 5.086 . . 822 95 87 HIS HB2 H 3.353 . . 823 95 87 HIS HB3 H 3.299 . . 824 95 87 HIS HD2 H 7.472 . . 825 95 87 HIS C C 173.922 . . 826 95 87 HIS CA C 55.700 . . 827 95 87 HIS CB C 29.801 . . 828 95 87 HIS CD2 C 79.795 . . 829 95 87 HIS N N 120.168 . . 830 96 88 VAL H H 8.957 . . 831 96 88 VAL HA H 4.583 . . 832 96 88 VAL HB H 1.848 . . 833 96 88 VAL HG1 H 0.920 . . 834 96 88 VAL HG2 H 0.920 . . 835 96 88 VAL C C 174.156 . . 836 96 88 VAL CA C 20.668 . . 837 96 88 VAL CB C 34.534 . . 838 96 88 VAL CG1 C 22.955 . . 839 96 88 VAL CG2 C 22.961 . . 840 96 88 VAL N N 124.361 . . 841 97 89 SER H H 9.351 . . 842 97 89 SER HA H 4.996 . . 843 97 89 SER HB2 H 4.243 . . 844 97 89 SER HB3 H 3.956 . . 845 97 89 SER C C 175.107 . . 846 97 89 SER CA C 57.011 . . 847 97 89 SER CB C 24.547 . . 848 97 89 SER N N 123.224 . . 849 98 90 GLN H H 8.541 . . 850 98 90 GLN HA H 3.707 . . 851 98 90 GLN HB2 H 2.169 . . 852 98 90 GLN HB3 H 2.060 . . 853 98 90 GLN HG2 H 2.428 . . 854 98 90 GLN HG3 H 2.370 . . 855 98 90 GLN C C 176.609 . . 856 98 90 GLN CA C 60.043 . . 857 98 90 GLN CB C 29.432 . . 858 98 90 GLN CG C 33.768 . . 859 98 90 GLN N N 117.233 . . 860 99 91 LYS H H 8.191 . . 861 99 91 LYS HA H 4.416 . . 862 99 91 LYS HB2 H 2.058 . . 863 99 91 LYS HB3 H 1.708 . . 864 99 91 LYS HG2 H 1.391 . . 865 99 91 LYS HG3 H 1.391 . . 866 99 91 LYS HD2 H 1.725 . . 867 99 91 LYS HD3 H 1.725 . . 868 99 91 LYS HE2 H 3.010 . . 869 99 91 LYS HE3 H 3.018 . . 870 99 91 LYS C C 177.058 . . 871 99 91 LYS CA C 55.158 . . 872 99 91 LYS CB C 32.431 . . 873 99 91 LYS CG C 25.070 . . 874 99 91 LYS CD C 28.872 . . 875 99 91 LYS CE C 42.379 . . 876 99 91 LYS N N 113.343 . . 877 100 92 THR H H 7.867 . . 878 100 92 THR HA H 4.367 . . 879 100 92 THR HB H 4.167 . . 880 100 92 THR HG2 H 1.725 . . 881 100 92 THR C C 172.068 . . 882 100 92 THR CA C 21.872 . . 883 100 92 THR CB C 29.144 . . 884 100 92 THR CG2 C 21.492 . . 885 100 92 THR N N 121.773 . . 886 102 94 PRO HA H 4.710 . . 887 102 94 PRO HB2 H 2.038 . . 888 102 94 PRO HB3 H 1.591 . . 889 102 94 PRO HG2 H 2.061 . . 890 102 94 PRO HG3 H 2.061 . . 891 102 94 PRO HD2 H 3.711 . . 892 102 94 PRO HD3 H 3.874 . . 893 102 94 PRO C C 176.209 . . 894 102 94 PRO CA C 22.110 . . 895 102 94 PRO CB C 32.030 . . 896 102 94 PRO CG C 27.266 . . 897 102 94 PRO CD C 50.463 . . 898 103 95 GLN H H 8.726 . . 899 103 95 GLN HA H 4.344 . . 900 103 95 GLN HB2 H 1.254 . . 901 103 95 GLN HB3 H 1.254 . . 902 103 95 GLN HG2 H 1.246 . . 903 103 95 GLN HG3 H 1.239 . . 904 103 95 GLN C C 174.940 . . 905 103 95 GLN CA C 53.023 . . 906 103 95 GLN CB C 32.030 . . 907 103 95 GLN CG C 31.835 . . 908 103 95 GLN N N 121.814 . . 909 104 96 THR H H 8.478 . . 910 104 96 THR HA H 5.066 . . 911 104 96 THR HB H 3.821 . . 912 104 96 THR HG2 H 0.919 . . 913 104 96 THR C C 173.498 . . 914 104 96 THR CA C 20.975 . . 915 104 96 THR CB C 28.475 . . 916 104 96 THR CG2 C 21.379 . . 917 104 96 THR N N 118.867 . . 918 105 97 ILE H H 9.133 . . 919 105 97 ILE HA H 4.705 . . 920 105 97 ILE HB H 1.648 . . 921 105 97 ILE HG12 H 0.714 . . 922 105 97 ILE HG13 H 0.707 . . 923 105 97 ILE HG2 H 0.748 . . 924 105 97 ILE HD1 H 0.229 . . 925 105 97 ILE C C 175.007 . . 926 105 97 ILE CA C 59.322 . . 927 105 97 ILE CB C 38.513 . . 928 105 97 ILE CG1 C 30.110 . . 929 105 97 ILE CG2 C 59.805 . . 930 105 97 ILE CD1 C 53.630 . . 931 105 97 ILE N N 131.160 . . 932 106 98 SER H H 8.970 . . 933 106 98 SER HA H 6.025 . . 934 106 98 SER HB2 H 3.714 . . 935 106 98 SER HB3 H 3.537 . . 936 106 98 SER C C 173.521 . . 937 106 98 SER CA C 57.094 . . 938 106 98 SER CB C 24.208 . . 939 106 98 SER N N 121.600 . . 940 107 99 GLY H H 9.237 . . 941 107 99 GLY HA2 H 5.296 . . 942 107 99 GLY HA3 H 3.107 . . 943 107 99 GLY C C 172.378 . . 944 107 99 GLY CA C 44.050 . . 945 107 99 GLY N N 110.519 . . 946 108 100 VAL H H 8.541 . . 947 108 100 VAL HA H 4.097 . . 948 108 100 VAL HB H 1.988 . . 949 108 100 VAL HG1 H 0.658 . . 950 108 100 VAL HG2 H 0.849 . . 951 108 100 VAL C C 174.578 . . 952 108 100 VAL CA C 21.437 . . 953 108 100 VAL CB C 33.083 . . 954 108 100 VAL CG1 C 20.664 . . 955 108 100 VAL CG2 C 20.664 . . 956 108 100 VAL N N 124.166 . . 957 109 101 VAL H H 8.874 . . 958 109 101 VAL HA H 3.682 . . 959 109 101 VAL HB H 1.486 . . 960 109 101 VAL HG1 H 0.418 . . 961 109 101 VAL HG2 H 0.018 . . 962 109 101 VAL C C 174.426 . . 963 109 101 VAL CA C 20.979 . . 964 109 101 VAL CB C 30.737 . . 965 109 101 VAL CG1 C 20.825 . . 966 109 101 VAL CG2 C 21.464 . . 967 109 101 VAL N N 130.706 . . 968 110 102 SER H H 7.747 . . 969 110 102 SER HA H 4.536 . . 970 110 102 SER HB2 H 3.715 . . 971 110 102 SER HB3 H 3.707 . . 972 110 102 SER C C 175.378 . . 973 110 102 SER CA C 57.171 . . 974 110 102 SER CB C 23.757 . . 975 110 102 SER N N 119.905 . . 976 111 103 LYS H H 8.591 . . 977 111 103 LYS C C 176.677 . . 978 111 103 LYS CA C 57.309 . . 979 111 103 LYS CB C 32.212 . . 980 111 103 LYS CD C 28.760 . . 981 111 103 LYS N N 124.600 . . 982 112 104 ASN H H 8.219 . . 983 112 104 ASN HA H 4.624 . . 984 112 104 ASN HB2 H 2.887 . . 985 112 104 ASN HB3 H 2.578 . . 986 112 104 ASN C C 174.578 . . 987 112 104 ASN CA C 53.935 . . 988 112 104 ASN CB C 38.947 . . 989 112 104 ASN N N 116.384 . . 990 113 105 VAL H H 7.004 . . 991 113 105 VAL HA H 3.727 . . 992 113 105 VAL HB H 1.058 . . 993 113 105 VAL HG1 H 0.128 . . 994 113 105 VAL HG2 H 0.719 . . 995 113 105 VAL C C 175.292 . . 996 113 105 VAL CA C 21.372 . . 997 113 105 VAL CB C 33.257 . . 998 113 105 VAL CG1 C 21.292 . . 999 113 105 VAL CG2 C 21.610 . . 1000 113 105 VAL N N 119.808 . . 1001 114 106 GLY H H 8.458 . . 1002 114 106 GLY HA2 H 4.040 . . 1003 114 106 GLY HA3 H 3.327 . . 1004 114 106 GLY C C 174.312 . . 1005 114 106 GLY CA C 45.900 . . 1006 114 106 GLY N N 113.501 . . 1007 115 107 TYR H H 6.994 . . 1008 115 107 TYR HA H 3.697 . . 1009 115 107 TYR HB2 H 2.396 . . 1010 115 107 TYR HB3 H 2.246 . . 1011 115 107 TYR HD1 H 5.656 . . 1012 115 107 TYR HD2 H 5.656 . . 1013 115 107 TYR HE1 H 6.457 . . 1014 115 107 TYR HE2 H 6.457 . . 1015 115 107 TYR C C 175.681 . . 1016 115 107 TYR CA C 57.672 . . 1017 115 107 TYR CB C 39.700 . . 1018 115 107 TYR CD1 C 91.675 . . 1019 115 107 TYR CD2 C 91.675 . . 1020 115 107 TYR CE1 C 78.195 . . 1021 115 107 TYR CE2 C 78.195 . . 1022 115 107 TYR N N 122.242 . . 1023 116 108 LYS H H 7.669 . . 1024 116 108 LYS HA H 4.505 . . 1025 116 108 LYS HB2 H 2.022 . . 1026 116 108 LYS HB3 H 2.022 . . 1027 116 108 LYS HG2 H 1.752 . . 1028 116 108 LYS HG3 H 1.654 . . 1029 116 108 LYS HD2 H 1.792 . . 1030 116 108 LYS HD3 H 1.792 . . 1031 116 108 LYS HE2 H 3.096 . . 1032 116 108 LYS HE3 H 3.096 . . 1033 116 108 LYS CA C 55.004 . . 1034 116 108 LYS CB C 31.700 . . 1035 116 108 LYS CG C 25.070 . . 1036 116 108 LYS CD C 29.339 . . 1037 116 108 LYS CE C 42.555 . . 1038 116 108 LYS N N 122.011 . . 1039 117 109 PRO HA H 4.306 . . 1040 117 109 PRO HB2 H 2.350 . . 1041 117 109 PRO HB3 H 1.968 . . 1042 117 109 PRO HG2 H 2.137 . . 1043 117 109 PRO HG3 H 2.137 . . 1044 117 109 PRO HD2 H 4.000 . . 1045 117 109 PRO HD3 H 4.000 . . 1046 117 109 PRO C C 175.950 . . 1047 117 109 PRO CA C 22.641 . . 1048 117 109 PRO CB C 32.565 . . 1049 117 109 PRO CG C 27.754 . . 1050 117 109 PRO CD C 50.627 . . 1051 118 110 GLY H H 9.103 . . 1052 118 110 GLY HA2 H 4.306 . . 1053 118 110 GLY HA3 H 3.828 . . 1054 118 110 GLY C C 170.751 . . 1055 118 110 GLY CA C 44.117 . . 1056 118 110 GLY N N 108.630 . . 1057 119 111 GLN H H 8.304 . . 1058 119 111 GLN HA H 5.080 . . 1059 119 111 GLN HB2 H 2.008 . . 1060 119 111 GLN HB3 H 1.943 . . 1061 119 111 GLN HG2 H 2.309 . . 1062 119 111 GLN HG3 H 2.100 . . 1063 119 111 GLN C C 174.284 . . 1064 119 111 GLN CA C 55.593 . . 1065 119 111 GLN CB C 30.424 . . 1066 119 111 GLN CG C 34.800 . . 1067 119 111 GLN N N 119.533 . . 1068 120 112 TYR H H 9.745 . . 1069 120 112 TYR HA H 4.916 . . 1070 120 112 TYR HB2 H 3.033 . . 1071 120 112 TYR HB3 H 2.698 . . 1072 120 112 TYR HD1 H 6.912 . . 1073 120 112 TYR HD2 H 6.916 . . 1074 120 112 TYR HE1 H 6.757 . . 1075 120 112 TYR HE2 H 6.757 . . 1076 120 112 TYR C C 176.192 . . 1077 120 112 TYR CA C 56.541 . . 1078 120 112 TYR CB C 41.998 . . 1079 120 112 TYR CD1 C 93.875 . . 1080 120 112 TYR CD2 C 93.875 . . 1081 120 112 TYR CE1 C 76.927 . . 1082 120 112 TYR CE2 C 76.927 . . 1083 120 112 TYR N N 125.940 . . 1084 121 113 THR H H 9.132 . . 1085 121 113 THR HA H 5.328 . . 1086 121 113 THR HB H 4.177 . . 1087 121 113 THR HG2 H 1.296 . . 1088 121 113 THR C C 174.456 . . 1089 121 113 THR CA C 60.710 . . 1090 121 113 THR CB C 30.450 . . 1091 121 113 THR CG2 C 21.819 . . 1092 121 113 THR N N 112.938 . . 1093 122 114 VAL H H 8.853 . . 1094 122 114 VAL HA H 4.965 . . 1095 122 114 VAL HB H 1.938 . . 1096 122 114 VAL HG1 H 0.904 . . 1097 122 114 VAL HG2 H 1.056 . . 1098 122 114 VAL C C 174.167 . . 1099 122 114 VAL CA C 60.586 . . 1100 122 114 VAL CB C 35.168 . . 1101 122 114 VAL CG1 C 22.161 . . 1102 122 114 VAL CG2 C 22.761 . . 1103 122 114 VAL N N 122.459 . . 1104 123 115 GLU H H 8.568 . . 1105 123 115 GLU HA H 5.436 . . 1106 123 115 GLU HB2 H 2.028 . . 1107 123 115 GLU HB3 H 1.934 . . 1108 123 115 GLU HG2 H 2.206 . . 1109 123 115 GLU HG3 H 2.206 . . 1110 123 115 GLU C C 174.223 . . 1111 123 115 GLU CA C 54.798 . . 1112 123 115 GLU CB C 33.085 . . 1113 123 115 GLU CG C 35.877 . . 1114 123 115 GLU N N 127.670 . . 1115 124 116 LEU H H 8.508 . . 1116 124 116 LEU HA H 4.356 . . 1117 124 116 LEU HB2 H 0.690 . . 1118 124 116 LEU HB3 H -0.091 . . 1119 124 116 LEU HG H 1.097 . . 1120 124 116 LEU HD1 H 0.609 . . 1121 124 116 LEU HD2 H 0.207 . . 1122 124 116 LEU C C 173.301 . . 1123 124 116 LEU CA C 54.145 . . 1124 124 116 LEU CB C 44.260 . . 1125 124 116 LEU CG C 26.651 . . 1126 124 116 LEU CD1 C 23.212 . . 1127 124 116 LEU CD2 C 27.865 . . 1128 124 116 LEU N N 126.520 . . 1129 125 117 THR H H 7.792 . . 1130 125 117 THR HA H 4.982 . . 1131 125 117 THR HB H 2.511 . . 1132 125 117 THR HG2 H 0.924 . . 1133 125 117 THR C C 171.981 . . 1134 125 117 THR CA C 60.580 . . 1135 125 117 THR CB C 29.839 . . 1136 125 117 THR CG2 C 22.885 . . 1137 125 117 THR N N 122.729 . . 1138 126 118 GLY H H 8.743 . . 1139 126 118 GLY HA2 H 3.997 . . 1140 126 118 GLY HA3 H 3.807 . . 1141 126 118 GLY C C 171.119 . . 1142 126 118 GLY CA C 47.258 . . 1143 126 118 GLY N N 109.033 . . 1144 127 119 PHE H H 8.881 . . 1145 127 119 PHE HA H 5.050 . . 1146 127 119 PHE HB2 H 3.397 . . 1147 127 119 PHE HB3 H 3.086 . . 1148 127 119 PHE HD1 H 7.181 . . 1149 127 119 PHE HD2 H 7.181 . . 1150 127 119 PHE HE1 H 7.228 . . 1151 127 119 PHE HE2 H 7.228 . . 1152 127 119 PHE HZ H 6.692 . . 1153 127 119 PHE C C 171.657 . . 1154 127 119 PHE CA C 57.050 . . 1155 127 119 PHE CB C 42.293 . . 1156 127 119 PHE CD1 C 91.574 . . 1157 127 119 PHE CD2 C 91.573 . . 1158 127 119 PHE CE1 C 90.475 . . 1159 127 119 PHE CE2 C 90.475 . . 1160 127 119 PHE CZ C 89.235 . . 1161 127 119 PHE N N 111.194 . . 1162 128 120 PHE H H 8.956 . . 1163 128 120 PHE HA H 5.306 . . 1164 128 120 PHE HB2 H 2.865 . . 1165 128 120 PHE HB3 H 2.865 . . 1166 128 120 PHE HD1 H 6.955 . . 1167 128 120 PHE HD2 H 6.955 . . 1168 128 120 PHE HE1 H 6.847 . . 1169 128 120 PHE HE2 H 6.849 . . 1170 128 120 PHE C C 173.604 . . 1171 128 120 PHE CA C 54.950 . . 1172 128 120 PHE CB C 41.968 . . 1173 128 120 PHE CD1 C 91.393 . . 1174 128 120 PHE CD2 C 91.393 . . 1175 128 120 PHE CE1 C 89.975 . . 1176 128 120 PHE CE2 C 89.975 . . 1177 128 120 PHE N N 119.675 . . 1178 129 121 SER H H 8.794 . . 1179 129 121 SER HA H 4.706 . . 1180 129 121 SER HB2 H 4.052 . . 1181 129 121 SER HB3 H 3.740 . . 1182 129 121 SER C C 173.431 . . 1183 129 121 SER CA C 55.412 . . 1184 129 121 SER CB C 23.844 . . 1185 129 121 SER N N 123.939 . . 1186 130 122 LEU H H 8.359 . . 1187 130 122 LEU HA H 3.990 . . 1188 130 122 LEU HB2 H 1.642 . . 1189 130 122 LEU HB3 H 1.518 . . 1190 130 122 LEU HG H 1.649 . . 1191 130 122 LEU HD1 H 1.103 . . 1192 130 122 LEU HD2 H 1.103 . . 1193 130 122 LEU C C 177.542 . . 1194 130 122 LEU CA C 55.586 . . 1195 130 122 LEU CB C 43.070 . . 1196 130 122 LEU CG C 27.200 . . 1197 130 122 LEU CD1 C 25.783 . . 1198 130 122 LEU CD2 C 25.783 . . 1199 130 122 LEU N N 129.051 . . 1200 131 123 ASN H H 8.781 . . 1201 131 123 ASN HA H 4.573 . . 1202 131 123 ASN HB2 H 2.878 . . 1203 131 123 ASN HB3 H 2.688 . . 1204 131 123 ASN C C 174.729 . . 1205 131 123 ASN CA C 54.022 . . 1206 131 123 ASN CB C 38.122 . . 1207 131 123 ASN N N 121.147 . . 1208 132 124 ASP H H 8.030 . . 1209 132 124 ASP HA H 4.576 . . 1210 132 124 ASP HB2 H 2.698 . . 1211 132 124 ASP HB3 H 2.698 . . 1212 132 124 ASP C C 174.816 . . 1213 132 124 ASP CA C 54.109 . . 1214 132 124 ASP CB C 41.511 . . 1215 132 124 ASP N N 120.632 . . 1216 133 125 ASN H H 8.395 . . 1217 133 125 ASN HA H 4.646 . . 1218 133 125 ASN HB2 H 2.864 . . 1219 133 125 ASN HB3 H 2.783 . . 1220 133 125 ASN C C 175.357 . . 1221 133 125 ASN CA C 53.761 . . 1222 133 125 ASN CB C 38.604 . . 1223 133 125 ASN N N 119.464 . . 1224 134 126 LYS H H 8.324 . . 1225 134 126 LYS HA H 4.211 . . 1226 134 126 LYS HB2 H 1.868 . . 1227 134 126 LYS HB3 H 1.792 . . 1228 134 126 LYS HG2 H 1.436 . . 1229 134 126 LYS HG3 H 1.382 . . 1230 134 126 LYS HD2 H 1.641 . . 1231 134 126 LYS HD3 H 1.638 . . 1232 134 126 LYS HE2 H 2.989 . . 1233 134 126 LYS HE3 H 2.987 . . 1234 134 126 LYS C C 176.576 . . 1235 134 126 LYS CA C 56.909 . . 1236 134 126 LYS CB C 32.348 . . 1237 134 126 LYS CG C 24.894 . . 1238 134 126 LYS CD C 28.848 . . 1239 134 126 LYS CE C 42.116 . . 1240 134 126 LYS N N 120.603 . . 1241 135 127 GLN H H 8.187 . . 1242 135 127 GLN HA H 4.261 . . 1243 135 127 GLN HB2 H 2.276 . . 1244 135 127 GLN HB3 H 1.982 . . 1245 135 127 GLN HG2 H 2.309 . . 1246 135 127 GLN HG3 H 2.309 . . 1247 135 127 GLN C C 175.443 . . 1248 135 127 GLN CA C 55.681 . . 1249 135 127 GLN CB C 29.294 . . 1250 135 127 GLN CG C 33.795 . . 1251 135 127 GLN N N 119.918 . . 1252 136 128 ALA H H 8.141 . . 1253 136 128 ALA HA H 4.276 . . 1254 136 128 ALA HB H 1.329 . . 1255 136 128 ALA C C 177.001 . . 1256 136 128 ALA CA C 52.224 . . 1257 136 128 ALA CB C 60.441 . . 1258 136 128 ALA N N 124.460 . . 1259 137 129 ASN H H 8.373 . . 1260 137 129 ASN HA H 4.888 . . 1261 137 129 ASN HB2 H 2.766 . . 1262 137 129 ASN HB3 H 2.634 . . 1263 137 129 ASN C C 173.071 . . 1264 137 129 ASN CA C 51.502 . . 1265 137 129 ASN CB C 38.514 . . 1266 137 129 ASN N N 118.352 . . 1267 138 130 PRO HA H 4.365 . . 1268 138 130 PRO HB2 H 2.047 . . 1269 138 130 PRO HB3 H 1.698 . . 1270 138 130 PRO HG2 H 1.791 . . 1271 138 130 PRO HG3 H 1.791 . . 1272 138 130 PRO HD2 H 3.646 . . 1273 138 130 PRO HD3 H 3.646 . . 1274 138 130 PRO C C 176.612 . . 1275 138 130 PRO CA C 21.880 . . 1276 138 130 PRO CB C 32.214 . . 1277 138 130 PRO CG C 26.779 . . 1278 138 130 PRO CD C 50.914 . . 1279 139 131 THR H H 8.038 . . 1280 139 131 THR HA H 4.614 . . 1281 139 131 THR HB H 4.272 . . 1282 139 131 THR HG2 H 1.167 . . 1283 139 131 THR C C 173.453 . . 1284 139 131 THR CA C 59.269 . . 1285 139 131 THR CB C 28.262 . . 1286 139 131 THR CG2 C 21.431 . . 1287 139 131 THR N N 114.099 . . 1288 140 132 PRO HA H 4.166 . . 1289 140 132 PRO HB2 H 2.180 . . 1290 140 132 PRO HB3 H 1.888 . . 1291 140 132 PRO HG2 H 1.900 . . 1292 140 132 PRO HG3 H 1.900 . . 1293 140 132 PRO C C 177.446 . . 1294 140 132 PRO CA C 23.652 . . 1295 140 132 PRO CB C 31.779 . . 1296 140 132 PRO CG C 27.705 . . 1297 141 133 SER H H 8.144 . . 1298 141 133 SER HA H 4.218 . . 1299 141 133 SER HB2 H 3.791 . . 1300 141 133 SER HB3 H 3.791 . . 1301 141 133 SER C C 175.095 . . 1302 141 133 SER CA C 59.267 . . 1303 141 133 SER CB C 22.207 . . 1304 141 133 SER N N 112.798 . . 1305 142 134 SER H H 7.925 . . 1306 142 134 SER HA H 4.356 . . 1307 142 134 SER HB2 H 3.937 . . 1308 142 134 SER HB3 H 3.778 . . 1309 142 134 SER C C 175.594 . . 1310 142 134 SER CA C 58.701 . . 1311 142 134 SER CB C 22.728 . . 1312 142 134 SER N N 116.765 . . 1313 143 135 LEU H H 8.060 . . 1314 143 135 LEU HA H 3.740 . . 1315 143 135 LEU HB2 H 1.149 . . 1316 143 135 LEU HB3 H 1.072 . . 1317 143 135 LEU HG H 1.037 . . 1318 143 135 LEU HD1 H 0.000 . . 1319 143 135 LEU HD2 H -0.032 . . 1320 143 135 LEU C C 178.040 . . 1321 143 135 LEU CA C 57.224 . . 1322 143 135 LEU CB C 41.545 . . 1323 143 135 LEU CG C 26.424 . . 1324 143 135 LEU CD1 C 23.840 . . 1325 143 135 LEU CD2 C 22.873 . . 1326 143 135 LEU N N 123.802 . . 1327 144 136 THR H H 7.563 . . 1328 144 136 THR HA H 3.763 . . 1329 144 136 THR HB H 3.975 . . 1330 144 136 THR HG2 H 0.783 . . 1331 144 136 THR C C 175.451 . . 1332 144 136 THR CA C 22.290 . . 1333 144 136 THR CB C 27.875 . . 1334 144 136 THR CG2 C 21.204 . . 1335 144 136 THR N N 108.603 . . 1336 145 137 SER H H 7.398 . . 1337 145 137 SER HA H 4.221 . . 1338 145 137 SER HB2 H 3.805 . . 1339 145 137 SER HB3 H 3.805 . . 1340 145 137 SER C C 175.400 . . 1341 145 137 SER CA C 59.283 . . 1342 145 137 SER CB C 22.207 . . 1343 145 137 SER N N 116.131 . . 1344 146 138 LYS H H 8.132 . . 1345 146 138 LYS HA H 4.037 . . 1346 146 138 LYS HB2 H 1.658 . . 1347 146 138 LYS HB3 H 1.658 . . 1348 146 138 LYS HG2 H 1.139 . . 1349 146 138 LYS HG3 H 1.139 . . 1350 146 138 LYS HD2 H 1.399 . . 1351 146 138 LYS HD3 H 1.468 . . 1352 146 138 LYS HE2 H 2.816 . . 1353 146 138 LYS HE3 H 2.820 . . 1354 146 138 LYS C C 176.460 . . 1355 146 138 LYS CA C 57.371 . . 1356 146 138 LYS CB C 32.475 . . 1357 146 138 LYS CG C 24.882 . . 1358 146 138 LYS CD C 28.820 . . 1359 146 138 LYS CE C 41.802 . . 1360 146 138 LYS N N 123.169 . . 1361 147 139 ALA H H 7.842 . . 1362 147 139 ALA HA H 3.807 . . 1363 147 139 ALA HB H 1.109 . . 1364 147 139 ALA C C 177.109 . . 1365 147 139 ALA CA C 52.237 . . 1366 147 139 ALA CB C 61.025 . . 1367 147 139 ALA N N 121.090 . . 1368 148 140 ALA H H 7.739 . . 1369 148 140 ALA HA H 4.127 . . 1370 148 140 ALA HB H 1.319 . . 1371 148 140 ALA C C 178.775 . . 1372 148 140 ALA CA C 53.367 . . 1373 148 140 ALA CB C 59.164 . . 1374 148 140 ALA N N 122.235 . . 1375 149 141 GLY H H 8.513 . . 1376 149 141 GLY HA2 H 3.927 . . 1377 149 141 GLY HA3 H 3.732 . . 1378 149 141 GLY C C 178.812 . . 1379 149 141 GLY CA C 45.616 . . 1380 149 141 GLY N N 109.858 . . 1381 150 142 LYS H H 7.709 . . 1382 150 142 LYS HA H 4.476 . . 1383 150 142 LYS HB2 H 1.648 . . 1384 150 142 LYS HB3 H 1.484 . . 1385 150 142 LYS HG2 H 1.062 . . 1386 150 142 LYS HG3 H 1.000 . . 1387 150 142 LYS HD2 H 1.394 . . 1388 150 142 LYS HD3 H 1.394 . . 1389 150 142 LYS HE2 H 3.000 . . 1390 150 142 LYS HE3 H 3.000 . . 1391 150 142 LYS C C 175.573 . . 1392 150 142 LYS CA C 55.138 . . 1393 150 142 LYS CB C 33.517 . . 1394 150 142 LYS CG C 24.818 . . 1395 150 142 LYS CD C 28.760 . . 1396 150 142 LYS CE C 42.555 . . 1397 150 142 LYS N N 119.900 . . 1398 151 143 ASN H H 8.647 . . 1399 151 143 ASN HA H 4.906 . . 1400 151 143 ASN HB2 H 2.997 . . 1401 151 143 ASN HB3 H 2.902 . . 1402 151 143 ASN C C 173.972 . . 1403 151 143 ASN CA C 52.579 . . 1404 151 143 ASN CB C 38.122 . . 1405 151 143 ASN N N 121.277 . . 1406 152 144 ILE H H 8.124 . . 1407 152 144 ILE HA H 4.437 . . 1408 152 144 ILE HB H 1.838 . . 1409 152 144 ILE HG12 H 1.500 . . 1410 152 144 ILE HG13 H 1.004 . . 1411 152 144 ILE HG2 H 0.929 . . 1412 152 144 ILE HD1 H 0.815 . . 1413 152 144 ILE C C 176.136 . . 1414 152 144 ILE CA C 20.877 . . 1415 152 144 ILE CB C 37.461 . . 1416 152 144 ILE CG1 C 28.445 . . 1417 152 144 ILE CG2 C 59.581 . . 1418 152 144 ILE CD1 C 53.830 . . 1419 152 144 ILE N N 124.090 . . 1420 153 145 VAL H H 9.131 . . 1421 153 145 VAL HA H 4.646 . . 1422 153 145 VAL HB H 2.048 . . 1423 153 145 VAL HG1 H 0.972 . . 1424 153 145 VAL HG2 H 0.989 . . 1425 153 145 VAL C C 173.372 . . 1426 153 145 VAL CA C 60.293 . . 1427 153 145 VAL CB C 35.186 . . 1428 153 145 VAL CG1 C 60.571 . . 1429 153 145 VAL CG2 C 60.571 . . 1430 153 145 VAL N N 127.012 . . 1431 154 146 SER H H 8.250 . . 1432 154 146 SER HA H 5.566 . . 1433 154 146 SER HB2 H 3.707 . . 1434 154 146 SER HB3 H 3.697 . . 1435 154 146 SER C C 173.712 . . 1436 154 146 SER CA C 56.700 . . 1437 154 146 SER CB C 25.775 . . 1438 154 146 SER N N 114.773 . . 1439 155 147 SER H H 8.921 . . 1440 155 147 SER HA H 4.854 . . 1441 155 147 SER HB2 H 3.697 . . 1442 155 147 SER HB3 H 3.697 . . 1443 155 147 SER C C 173.020 . . 1444 155 147 SER CA C 56.802 . . 1445 155 147 SER CB C 25.617 . . 1446 155 147 SER N N 117.294 . . 1447 156 148 THR H H 8.280 . . 1448 156 148 THR HA H 5.718 . . 1449 156 148 THR HB H 4.047 . . 1450 156 148 THR HG2 H 1.246 . . 1451 156 148 THR C C 174.383 . . 1452 156 148 THR CA C 60.719 . . 1453 156 148 THR CB C 30.943 . . 1454 156 148 THR CG2 C 21.907 . . 1455 156 148 THR N N 116.925 . . 1456 157 149 GLY H H 9.355 . . 1457 157 149 GLY HA2 H 4.886 . . 1458 157 149 GLY HA3 H 3.366 . . 1459 157 149 GLY C C 172.046 . . 1460 157 149 GLY CA C 43.741 . . 1461 157 149 GLY N N 110.935 . . 1462 158 150 THR H H 8.652 . . 1463 158 150 THR HA H 5.416 . . 1464 158 150 THR HB H 3.929 . . 1465 158 150 THR HG2 H 1.160 . . 1466 158 150 THR C C 173.438 . . 1467 158 150 THR CA C 20.295 . . 1468 158 150 THR CB C 30.969 . . 1469 158 150 THR CG2 C 21.116 . . 1470 158 150 THR N N 113.063 . . 1471 159 151 ILE H H 8.642 . . 1472 159 151 ILE HA H 4.822 . . 1473 159 151 ILE HB H 1.458 . . 1474 159 151 ILE HG12 H 1.400 . . 1475 159 151 ILE HG13 H 0.714 . . 1476 159 151 ILE HG2 H 0.506 . . 1477 159 151 ILE HD1 H 0.580 . . 1478 159 151 ILE C C 174.807 . . 1479 159 151 ILE CA C 59.790 . . 1480 159 151 ILE CB C 42.132 . . 1481 159 151 ILE CG1 C 27.881 . . 1482 159 151 ILE CG2 C 58.175 . . 1483 159 151 ILE CD1 C 56.605 . . 1484 159 151 ILE N N 123.483 . . 1485 160 152 THR H H 9.055 . . 1486 160 152 THR HA H 5.126 . . 1487 160 152 THR HB H 4.067 . . 1488 160 152 THR HG2 H 1.119 . . 1489 160 152 THR C C 173.038 . . 1490 160 152 THR CA C 21.295 . . 1491 160 152 THR CB C 28.669 . . 1492 160 152 THR CG2 C 21.204 . . 1493 160 152 THR N N 125.219 . . 1494 161 153 ILE H H 9.348 . . 1495 161 153 ILE HA H 5.179 . . 1496 161 153 ILE HB H 2.518 . . 1497 161 153 ILE HG12 H 1.393 . . 1498 161 153 ILE HG13 H 1.028 . . 1499 161 153 ILE HG2 H 0.918 . . 1500 161 153 ILE HD1 H 0.320 . . 1501 161 153 ILE C C 176.242 . . 1502 161 153 ILE CA C 57.800 . . 1503 161 153 ILE CB C 37.000 . . 1504 161 153 ILE CG1 C 26.563 . . 1505 161 153 ILE CG2 C 57.923 . . 1506 161 153 ILE CD1 C 51.725 . . 1507 161 153 ILE N N 129.745 . . 1508 162 154 SER H H 8.928 . . 1509 162 154 SER HA H 4.500 . . 1510 162 154 SER HB2 H 3.869 . . 1511 162 154 SER HB3 H 3.869 . . 1512 162 154 SER C C 177.282 . . 1513 162 154 SER CA C 59.656 . . 1514 162 154 SER CB C 24.339 . . 1515 162 154 SER N N 130.352 . . stop_ save_