data_50182 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Cdc42 bound to GTP (AMPylation at Y32) ; _BMRB_accession_number 50182 _BMRB_flat_file_name bmr50182.str _Entry_type original _Submission_date 2020-01-28 _Accession_date 2020-01-28 _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 Kang Hyun-Seo . . 2 Barthelmes Katja . . 3 Sattler Michael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 948 "13C chemical shifts" 710 "15N chemical shifts" 154 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-05-30 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 50179 'Cdc42 bound to GDP' 50180 'Cdc42 bound to GTP (AMPylation at T35)' 50181 'Cdc42 bound to GDP (AMPylation at T35)' 50182 'Cdc42 bound to GTP' 50183 'Cdc42 bound to GDP (AMPylation at Y32)' stop_ _Original_release_date 2020-01-28 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Conformational Control of Small GTPases by AMPylation ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32123090 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Barthelmes Katja . . 2 Ramcke Evelyn . . 3 Kang Hyun-Seo . . 4 Sattler Michael . . 5 Itzen Aymelt . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_volume 117 _Journal_issue 11 _Journal_ISSN 1091-6490 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5772 _Page_last 5781 _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name AMP-Y32-Cdc42:GTP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Cdc42 $entity_1_Cdc42 GTP $entity_GTP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'Cdc42 bound to GTP (AMPylation at Y32)' save_ ######################## # Monomeric polymers # ######################## save_entity_1_Cdc42 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1_Cdc42 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 188 _Mol_residue_sequence ; HMQTIKCVVVGDGAVGKTCL LISYTTNKFPSEYVPTVFDN YAVTVMIGGEPYTLGLFDTA GLEDYDRLRPLSYPQTDVFL VCFSVVSPSSFENVKEKWVP EITHHCPKTPFLLVGTQIDL RDDPSTIEKLAKNKQKPITP ETAEKLARDLKAVKYVECSA LTQKGLKNVFDEAILAALEP PEPKKPKK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 HIS 2 1 MET 3 2 GLN 4 3 THR 5 4 ILE 6 5 LYS 7 6 CYS 8 7 VAL 9 8 VAL 10 9 VAL 11 10 GLY 12 11 ASP 13 12 GLY 14 13 ALA 15 14 VAL 16 15 GLY 17 16 LYS 18 17 THR 19 18 CYS 20 19 LEU 21 20 LEU 22 21 ILE 23 22 SER 24 23 TYR 25 24 THR 26 25 THR 27 26 ASN 28 27 LYS 29 28 PHE 30 29 PRO 31 30 SER 32 31 GLU 33 32 TYR 34 33 VAL 35 34 PRO 36 35 THR 37 36 VAL 38 37 PHE 39 38 ASP 40 39 ASN 41 40 TYR 42 41 ALA 43 42 VAL 44 43 THR 45 44 VAL 46 45 MET 47 46 ILE 48 47 GLY 49 48 GLY 50 49 GLU 51 50 PRO 52 51 TYR 53 52 THR 54 53 LEU 55 54 GLY 56 55 LEU 57 56 PHE 58 57 ASP 59 58 THR 60 59 ALA 61 60 GLY 62 61 LEU 63 62 GLU 64 63 ASP 65 64 TYR 66 65 ASP 67 66 ARG 68 67 LEU 69 68 ARG 70 69 PRO 71 70 LEU 72 71 SER 73 72 TYR 74 73 PRO 75 74 GLN 76 75 THR 77 76 ASP 78 77 VAL 79 78 PHE 80 79 LEU 81 80 VAL 82 81 CYS 83 82 PHE 84 83 SER 85 84 VAL 86 85 VAL 87 86 SER 88 87 PRO 89 88 SER 90 89 SER 91 90 PHE 92 91 GLU 93 92 ASN 94 93 VAL 95 94 LYS 96 95 GLU 97 96 LYS 98 97 TRP 99 98 VAL 100 99 PRO 101 100 GLU 102 101 ILE 103 102 THR 104 103 HIS 105 104 HIS 106 105 CYS 107 106 PRO 108 107 LYS 109 108 THR 110 109 PRO 111 110 PHE 112 111 LEU 113 112 LEU 114 113 VAL 115 114 GLY 116 115 THR 117 116 GLN 118 117 ILE 119 118 ASP 120 119 LEU 121 120 ARG 122 121 ASP 123 122 ASP 124 123 PRO 125 124 SER 126 125 THR 127 126 ILE 128 127 GLU 129 128 LYS 130 129 LEU 131 130 ALA 132 131 LYS 133 132 ASN 134 133 LYS 135 134 GLN 136 135 LYS 137 136 PRO 138 137 ILE 139 138 THR 140 139 PRO 141 140 GLU 142 141 THR 143 142 ALA 144 143 GLU 145 144 LYS 146 145 LEU 147 146 ALA 148 147 ARG 149 148 ASP 150 149 LEU 151 150 LYS 152 151 ALA 153 152 VAL 154 153 LYS 155 154 TYR 156 155 VAL 157 156 GLU 158 157 CYS 159 158 SER 160 159 ALA 161 160 LEU 162 161 THR 163 162 GLN 164 163 LYS 165 164 GLY 166 165 LEU 167 166 LYS 168 167 ASN 169 168 VAL 170 169 PHE 171 170 ASP 172 171 GLU 173 172 ALA 174 173 ILE 175 174 LEU 176 175 ALA 177 176 ALA 178 177 LEU 179 178 GLU 180 179 PRO 181 180 PRO 182 181 GLU 183 182 PRO 184 183 LYS 185 184 LYS 186 185 PRO 187 186 LYS 188 187 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_GTP _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_GTP (GUANOSINE-5'-TRIPHOSPHATE)" _BMRB_code GTP _PDB_code GTP _Molecular_mass 523.180 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons PG PG P . 0 . ? O1G O1G O . 0 . ? O2G O2G O . 0 . ? O3G O3G O . 0 . ? O3B O3B O . 0 . ? PB PB P . 0 . ? O1B O1B O . 0 . ? O2B O2B O . 0 . ? O3A O3A O . 0 . ? PA PA P . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? O5' O5' O . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C1' C1' C . 0 . ? N9 N9 N . 0 . ? C8 C8 C . 0 . ? N7 N7 N . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? O6 O6 O . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? N2 N2 N . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? HOG2 HOG2 H . 0 . ? HOG3 HOG3 H . 0 . ? HOB2 HOB2 H . 0 . ? HOA2 HOA2 H . 0 . ? H5' H5' H . 0 . ? H5'' H5'' H . 0 . ? H4' H4' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H2' H2' H . 0 . ? HO2' HO2' H . 0 . ? H1' H1' H . 0 . ? H8 H8 H . 0 . ? HN1 HN1 H . 0 . ? HN21 HN21 H . 0 . ? HN22 HN22 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB PG O1G ? ? SING PG O2G ? ? SING PG O3G ? ? SING PG O3B ? ? SING O2G HOG2 ? ? SING O3G HOG3 ? ? SING O3B PB ? ? DOUB PB O1B ? ? SING PB O2B ? ? SING PB O3A ? ? SING O2B HOB2 ? ? SING O3A PA ? ? DOUB PA O1A ? ? SING PA O2A ? ? SING PA O5' ? ? SING O2A HOA2 ? ? SING O5' C5' ? ? SING C5' C4' ? ? SING C5' H5' ? ? SING C5' H5'' ? ? SING C4' O4' ? ? SING C4' C3' ? ? SING C4' H4' ? ? SING O4' C1' ? ? SING C3' O3' ? ? SING C3' C2' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C2' O2' ? ? SING C2' C1' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C1' N9 ? ? SING C1' H1' ? ? SING N9 C8 ? ? SING N9 C4 ? ? DOUB C8 N7 ? ? SING C8 H8 ? ? SING N7 C5 ? ? SING C5 C6 ? ? DOUB C5 C4 ? ? DOUB C6 O6 ? ? SING C6 N1 ? ? SING N1 C2 ? ? SING N1 HN1 ? ? SING C2 N2 ? ? DOUB C2 N3 ? ? SING N2 HN21 ? ? SING N2 HN22 ? ? SING N3 C4 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1_Cdc42 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1_Cdc42 'recombinant technology' . Escherichia coli . plasmid pOPINM stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1_Cdc42 0.3 mM '[U-100% 13C; U-100% 15N]' HEPES 20 mM 'natural abundance' DTE 2 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' MgCl2 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1_CcpNMR _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1_600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N 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' 0.05 . M pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1_DSS _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 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_AMP-Y32-Cdc42:GTP _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1_DSS _Mol_system_component_name Cdc42 _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 0 1 HIS HA H 4.287 0.000 1 2 0 1 HIS HB2 H 3.310 0.000 1 3 0 1 HIS HB3 H 3.310 0.000 1 4 0 1 HIS HD2 H 7.376 0.000 1 5 0 1 HIS CA C 55.321 0.000 1 6 0 1 HIS CB C 30.459 0.000 1 7 0 1 HIS CD2 C 120.400 0.000 1 8 1 2 MET HA H 4.499 0.000 1 9 1 2 MET HB2 H 2.075 0.000 1 10 1 2 MET HB3 H 2.075 0.000 1 11 1 2 MET HG2 H 2.546 0.000 1 12 1 2 MET HG3 H 2.546 0.000 1 13 1 2 MET HE H 2.098 0.000 1 14 1 2 MET C C 175.520 0.000 1 15 1 2 MET CA C 55.946 0.000 1 16 1 2 MET CB C 33.095 0.000 1 17 1 2 MET CG C 31.495 0.000 1 18 1 2 MET CE C 16.663 0.000 1 19 2 3 GLN H H 8.594 0.000 1 20 2 3 GLN HA H 4.419 0.000 1 21 2 3 GLN HB2 H 2.085 0.000 1 22 2 3 GLN HB3 H 2.085 0.000 1 23 2 3 GLN HG2 H 2.378 0.000 1 24 2 3 GLN HG3 H 2.378 0.000 1 25 2 3 GLN HE21 H 7.563 0.000 1 26 2 3 GLN HE22 H 6.828 0.000 1 27 2 3 GLN C C 175.081 0.000 1 28 2 3 GLN CA C 55.946 0.000 1 29 2 3 GLN CB C 29.599 0.000 1 30 2 3 GLN CG C 33.929 0.000 1 31 2 3 GLN N N 123.234 0.000 1 32 2 3 GLN NE2 N 112.032 0.000 1 33 3 4 THR H H 8.264 0.000 1 34 3 4 THR HA H 5.078 0.000 1 35 3 4 THR HB H 4.127 0.000 1 36 3 4 THR HG2 H 1.187 0.000 1 37 3 4 THR C C 173.548 0.000 1 38 3 4 THR CA C 61.513 0.000 1 39 3 4 THR CB C 70.397 0.000 1 40 3 4 THR CG2 C 54.539 0.000 1 41 3 4 THR N N 117.966 0.000 1 42 4 5 ILE H H 9.062 0.000 1 43 4 5 ILE HA H 4.473 0.000 1 44 4 5 ILE HB H 1.890 0.000 1 45 4 5 ILE HG12 H 1.614 0.000 1 46 4 5 ILE HG13 H 1.204 0.000 1 47 4 5 ILE HG2 H 0.719 0.000 1 48 4 5 ILE HD1 H 0.799 0.000 1 49 4 5 ILE C C 173.956 0.000 1 50 4 5 ILE CA C 59.643 0.000 1 51 4 5 ILE CB C 40.470 0.000 1 52 4 5 ILE CG1 C 27.716 0.000 1 53 4 5 ILE CG2 C 18.077 0.000 1 54 4 5 ILE CD1 C 14.090 0.000 1 55 4 5 ILE N N 127.892 0.000 1 56 5 6 LYS H H 10.650 0.000 1 57 5 6 LYS HA H 4.943 0.000 1 58 5 6 LYS C C 174.590 0.000 1 59 5 6 LYS CA C 56.224 0.000 1 60 5 6 LYS CB C 32.446 0.000 1 61 5 6 LYS N N 131.978 0.000 1 62 6 7 CYS H H 9.491 0.000 1 63 6 7 CYS HA H 5.722 0.000 1 64 6 7 CYS HB2 H 3.073 0.000 2 65 6 7 CYS HB3 H 2.416 0.000 2 66 6 7 CYS C C 172.415 0.000 1 67 6 7 CYS CA C 55.866 0.000 1 68 6 7 CYS CB C 29.194 0.000 1 69 6 7 CYS N N 132.110 0.000 1 70 7 8 VAL H H 7.644 0.000 1 71 7 8 VAL HA H 5.160 0.000 1 72 7 8 VAL HB H 1.786 0.000 1 73 7 8 VAL HG1 H 0.870 0.000 2 74 7 8 VAL HG2 H 1.165 0.000 2 75 7 8 VAL C C 174.217 0.000 1 76 7 8 VAL CA C 60.417 0.000 1 77 7 8 VAL CB C 33.363 0.000 1 78 7 8 VAL CG1 C 23.274 0.000 2 79 7 8 VAL CG2 C 22.031 0.000 2 80 7 8 VAL N N 129.168 0.000 1 81 8 9 VAL H H 8.350 0.000 1 82 8 9 VAL HA H 5.010 0.000 1 83 8 9 VAL HB H 2.274 0.000 1 84 8 9 VAL HG1 H 0.976 0.000 2 85 8 9 VAL HG2 H 1.122 0.000 2 86 8 9 VAL C C 174.435 0.000 1 87 8 9 VAL CA C 60.911 0.000 1 88 8 9 VAL CB C 33.053 0.000 1 89 8 9 VAL CG1 C 22.741 0.000 2 90 8 9 VAL CG2 C 21.994 0.000 2 91 8 9 VAL N N 127.127 0.000 1 92 9 10 VAL H H 8.851 0.000 1 93 9 10 VAL HA H 4.510 0.000 1 94 9 10 VAL HB H 1.917 0.000 1 95 9 10 VAL HG1 H 0.746 0.000 2 96 9 10 VAL HG2 H 1.174 0.000 2 97 9 10 VAL CA C 58.295 0.000 1 98 9 10 VAL CB C 35.267 0.000 1 99 9 10 VAL CG1 C 19.836 0.000 2 100 9 10 VAL CG2 C 21.271 0.000 2 101 9 10 VAL N N 116.947 0.000 1 102 10 11 GLY H H 6.535 0.000 1 103 10 11 GLY HA2 H 4.167 0.000 2 104 10 11 GLY HA3 H 1.726 0.000 2 105 10 11 GLY C C 172.304 0.000 1 106 10 11 GLY CA C 43.180 0.000 1 107 10 11 GLY N N 107.328 0.000 1 108 11 12 ASP H H 8.362 0.000 1 109 11 12 ASP HA H 4.862 0.000 1 110 11 12 ASP HB2 H 2.900 0.000 2 111 11 12 ASP HB3 H 2.943 0.000 2 112 11 12 ASP C C 177.130 0.000 1 113 11 12 ASP CA C 55.697 0.000 1 114 11 12 ASP CB C 41.612 0.000 1 115 11 12 ASP N N 118.879 0.000 1 116 12 13 GLY H H 8.697 0.000 1 117 12 13 GLY HA2 H 3.592 0.000 1 118 12 13 GLY HA3 H 3.592 0.000 1 119 12 13 GLY CA C 46.493 0.000 1 120 12 13 GLY N N 105.425 0.000 1 121 14 15 VAL C C 175.515 0.000 1 122 15 16 GLY H H 8.451 0.000 1 123 15 16 GLY HA2 H 4.007 0.000 1 124 15 16 GLY HA3 H 4.007 0.000 1 125 15 16 GLY CA C 45.149 0.000 1 126 15 16 GLY N N 109.741 0.000 1 127 16 17 LYS H H 9.479 0.000 1 128 16 17 LYS C C 176.436 0.000 1 129 16 17 LYS CA C 60.407 0.000 1 130 16 17 LYS CB C 29.509 0.000 1 131 16 17 LYS N N 126.193 0.000 1 132 17 18 THR H H 9.124 0.000 1 133 17 18 THR HA H 4.031 0.000 1 134 17 18 THR HB H 4.389 0.000 1 135 17 18 THR HG2 H 1.253 0.000 1 136 17 18 THR CA C 66.687 0.000 1 137 17 18 THR CB C 67.425 0.000 1 138 17 18 THR CG2 C 22.228 0.000 1 139 17 18 THR N N 119.140 0.000 1 140 18 19 CYS HA H 4.238 0.000 1 141 18 19 CYS HB2 H 2.279 0.000 2 142 18 19 CYS HB3 H 2.089 0.000 2 143 18 19 CYS C C 176.679 0.000 1 144 18 19 CYS CA C 65.680 0.000 1 145 18 19 CYS CB C 27.510 0.000 1 146 19 20 LEU H H 8.137 0.000 1 147 19 20 LEU HA H 4.054 0.000 1 148 19 20 LEU HB2 H 2.336 0.000 2 149 19 20 LEU HB3 H 1.822 0.000 2 150 19 20 LEU HG H 1.997 0.000 1 151 19 20 LEU HD1 H 0.785 0.000 2 152 19 20 LEU HD2 H 0.854 0.000 2 153 19 20 LEU C C 177.297 0.000 1 154 19 20 LEU CA C 59.227 0.000 1 155 19 20 LEU CB C 41.580 0.000 1 156 19 20 LEU CG C 25.996 0.000 1 157 19 20 LEU CD1 C 26.565 0.000 2 158 19 20 LEU CD2 C 26.830 0.000 2 159 19 20 LEU N N 121.679 0.000 1 160 20 21 LEU H H 7.419 0.000 1 161 20 21 LEU HA H 3.936 0.000 1 162 20 21 LEU HB2 H 1.843 0.000 1 163 20 21 LEU HB3 H 1.843 0.000 1 164 20 21 LEU HG H 2.050 0.000 1 165 20 21 LEU HD1 H 0.972 0.000 2 166 20 21 LEU HD2 H 0.944 0.000 2 167 20 21 LEU CA C 57.730 0.000 1 168 20 21 LEU CB C 41.761 0.000 1 169 20 21 LEU CG C 26.402 0.000 1 170 20 21 LEU CD1 C 24.165 0.000 2 171 20 21 LEU CD2 C 25.150 0.000 2 172 20 21 LEU N N 118.811 0.000 1 173 21 22 ILE C C 179.385 0.000 1 174 22 23 SER H H 8.840 0.000 1 175 22 23 SER HA H 4.240 0.000 1 176 22 23 SER HB2 H 4.063 0.000 1 177 22 23 SER HB3 H 4.063 0.000 1 178 22 23 SER C C 177.128 0.000 1 179 22 23 SER CA C 61.409 0.000 1 180 22 23 SER CB C 63.790 0.000 1 181 22 23 SER N N 119.146 0.000 1 182 23 24 TYR H H 7.982 0.000 1 183 23 24 TYR HA H 4.332 0.000 1 184 23 24 TYR HB2 H 3.128 0.000 2 185 23 24 TYR HB3 H 2.572 0.000 2 186 23 24 TYR HD1 H 6.443 0.000 1 187 23 24 TYR HD2 H 6.443 0.000 1 188 23 24 TYR HE1 H 6.443 0.000 1 189 23 24 TYR HE2 H 6.443 0.000 1 190 23 24 TYR C C 177.009 0.000 1 191 23 24 TYR CA C 60.307 0.000 1 192 23 24 TYR CB C 39.465 0.000 1 193 23 24 TYR CD1 C 132.182 0.000 1 194 23 24 TYR CD2 C 132.182 0.000 1 195 23 24 TYR CE1 C 118.528 0.000 1 196 23 24 TYR CE2 C 118.528 0.000 1 197 23 24 TYR N N 117.835 0.000 1 198 24 25 THR H H 7.735 0.000 1 199 24 25 THR HA H 3.705 0.000 1 200 24 25 THR HB H 3.923 0.000 1 201 24 25 THR HG2 H 1.122 0.000 1 202 24 25 THR C C 176.698 0.000 1 203 24 25 THR CA C 64.202 0.000 1 204 24 25 THR CB C 69.647 0.000 1 205 24 25 THR CG2 C 22.975 0.000 1 206 24 25 THR N N 106.342 0.000 1 207 25 26 THR H H 8.100 0.000 1 208 25 26 THR HA H 4.649 0.000 1 209 25 26 THR HB H 4.341 0.000 1 210 25 26 THR HG2 H 1.290 0.000 1 211 25 26 THR C C 175.069 0.000 1 212 25 26 THR CA C 61.906 0.000 1 213 25 26 THR CB C 71.977 0.000 1 214 25 26 THR CG2 C 20.795 0.000 1 215 25 26 THR N N 110.311 0.000 1 216 26 27 ASN H H 7.624 0.000 1 217 26 27 ASN HA H 4.605 0.000 1 218 26 27 ASN HB2 H 3.218 0.000 2 219 26 27 ASN HB3 H 2.978 0.000 2 220 26 27 ASN HD21 H 7.427 0.000 1 221 26 27 ASN HD22 H 6.792 0.000 1 222 26 27 ASN C C 173.372 0.000 1 223 26 27 ASN CA C 55.053 0.000 1 224 26 27 ASN CB C 38.028 0.000 1 225 26 27 ASN N N 116.273 0.000 1 226 26 27 ASN ND2 N 112.711 0.000 1 227 27 28 LYS H H 7.658 0.000 1 228 27 28 LYS HA H 4.528 0.000 1 229 27 28 LYS HB2 H 1.676 0.000 2 230 27 28 LYS HB3 H 1.545 0.000 2 231 27 28 LYS HG2 H 1.361 0.000 1 232 27 28 LYS HG3 H 1.361 0.000 1 233 27 28 LYS HD2 H 1.672 0.000 1 234 27 28 LYS HD3 H 1.672 0.000 1 235 27 28 LYS HE2 H 3.045 0.000 1 236 27 28 LYS HE3 H 3.045 0.000 1 237 27 28 LYS CA C 55.067 0.000 1 238 27 28 LYS CB C 35.135 0.000 1 239 27 28 LYS CG C 24.184 0.000 1 240 27 28 LYS CD C 28.979 0.000 1 241 27 28 LYS CE C 42.045 0.000 1 242 27 28 LYS N N 118.841 0.000 1 243 28 29 PHE HD1 H 6.879 0.000 1 244 28 29 PHE HD2 H 6.879 0.000 1 245 28 29 PHE HE1 H 6.668 0.000 1 246 28 29 PHE HE2 H 6.668 0.000 1 247 28 29 PHE HZ H 6.377 0.000 1 248 28 29 PHE CD1 C 131.670 0.000 1 249 28 29 PHE CD2 C 131.670 0.000 1 250 28 29 PHE CE1 C 130.104 0.000 1 251 28 29 PHE CE2 C 130.104 0.000 1 252 29 30 PRO HA H 4.481 0.000 1 253 29 30 PRO C C 174.213 0.000 1 254 29 30 PRO CA C 62.122 0.000 1 255 30 31 SER H H 8.079 0.000 1 256 30 31 SER HA H 4.315 0.000 1 257 30 31 SER HB2 H 4.039 0.000 2 258 30 31 SER HB3 H 3.911 0.000 2 259 30 31 SER C C 174.611 0.000 1 260 30 31 SER CA C 58.845 0.000 1 261 30 31 SER CB C 63.859 0.000 1 262 30 31 SER N N 117.415 0.000 1 263 31 32 GLU H H 8.063 0.000 1 264 31 32 GLU HA H 4.432 0.000 1 265 31 32 GLU HB2 H 2.057 0.000 2 266 31 32 GLU HB3 H 1.944 0.000 2 267 31 32 GLU HG2 H 2.213 0.000 1 268 31 32 GLU HG3 H 2.213 0.000 1 269 31 32 GLU CA C 56.281 0.000 1 270 31 32 GLU CB C 30.595 0.000 1 271 31 32 GLU CG C 35.791 0.000 1 272 31 32 GLU N N 120.701 0.000 1 273 33 34 VAL HA H 4.199 0.000 1 274 33 34 VAL HB H 1.887 0.000 1 275 33 34 VAL HG1 H 0.750 0.000 2 276 33 34 VAL HG2 H 0.909 0.000 2 277 33 34 VAL CA C 58.746 0.000 1 278 33 34 VAL CB C 33.418 0.000 1 279 33 34 VAL CG1 C 20.985 0.000 2 280 33 34 VAL CG2 C 21.270 0.000 2 281 34 35 PRO HD2 H 3.519 0.000 1 282 34 35 PRO HD3 H 3.519 0.000 1 283 34 35 PRO CD C 50.396 0.000 1 284 41 42 ALA HA H 5.651 0.000 1 285 41 42 ALA HB H 1.222 0.000 1 286 41 42 ALA C C 176.134 0.000 1 287 41 42 ALA CA C 50.975 0.000 1 288 41 42 ALA CB C 20.938 0.000 1 289 42 43 VAL H H 8.732 0.000 1 290 42 43 VAL HA H 4.637 0.000 1 291 42 43 VAL HB H 2.186 0.000 1 292 42 43 VAL HG1 H 1.011 0.000 1 293 42 43 VAL HG2 H 1.011 0.000 1 294 42 43 VAL C C 173.958 0.000 1 295 42 43 VAL CA C 59.361 0.000 1 296 42 43 VAL CB C 35.522 0.000 1 297 42 43 VAL CG1 C 21.408 0.000 2 298 42 43 VAL CG2 C 20.394 0.000 2 299 42 43 VAL N N 118.400 0.000 1 300 43 44 THR H H 8.594 0.000 1 301 43 44 THR HA H 5.227 0.000 1 302 43 44 THR HB H 4.022 0.000 1 303 43 44 THR HG2 H 1.171 0.000 1 304 43 44 THR CA C 62.330 0.000 1 305 43 44 THR CB C 69.197 0.000 1 306 43 44 THR CG2 C 21.750 0.000 1 307 43 44 THR N N 121.597 0.000 1 308 44 45 VAL H H 9.413 0.000 1 309 44 45 VAL HA H 4.478 0.000 1 310 44 45 VAL HB H 2.057 0.000 1 311 44 45 VAL HG1 H 1.016 0.000 2 312 44 45 VAL HG2 H 0.987 0.000 2 313 44 45 VAL C C 174.094 0.000 1 314 44 45 VAL CA C 60.313 0.000 1 315 44 45 VAL CB C 35.140 0.000 1 316 44 45 VAL CG1 C 21.500 0.000 2 317 44 45 VAL CG2 C 20.631 0.000 2 318 44 45 VAL N N 127.731 0.000 1 319 45 46 MET H H 8.501 0.000 1 320 45 46 MET HA H 5.330 0.000 1 321 45 46 MET HB2 H 2.066 0.000 2 322 45 46 MET HB3 H 1.852 0.000 2 323 45 46 MET HG2 H 2.574 0.000 2 324 45 46 MET HG3 H 2.483 0.000 2 325 45 46 MET HE H 1.901 0.000 1 326 45 46 MET C C 176.472 0.000 1 327 45 46 MET CA C 53.227 0.000 1 328 45 46 MET CB C 31.778 0.000 1 329 45 46 MET CG C 31.617 0.000 1 330 45 46 MET CE C 16.045 0.000 1 331 45 46 MET N N 123.502 0.000 1 332 46 47 ILE H H 9.082 0.000 1 333 46 47 ILE HA H 4.442 0.000 1 334 46 47 ILE HB H 2.011 0.000 1 335 46 47 ILE HG12 H 1.299 0.000 2 336 46 47 ILE HG13 H 1.158 0.000 2 337 46 47 ILE HG2 H 0.783 0.000 1 338 46 47 ILE HD1 H 0.633 0.000 1 339 46 47 ILE C C 177.722 0.000 1 340 46 47 ILE CA C 59.797 0.000 1 341 46 47 ILE CB C 38.939 0.000 1 342 46 47 ILE CG1 C 26.402 0.000 1 343 46 47 ILE CG2 C 16.419 0.000 1 344 46 47 ILE CD1 C 11.748 0.000 1 345 46 47 ILE N N 125.803 0.000 1 346 47 48 GLY H H 9.386 0.000 1 347 47 48 GLY HA2 H 3.959 0.000 1 348 47 48 GLY HA3 H 3.959 0.000 1 349 47 48 GLY C C 175.330 0.000 1 350 47 48 GLY CA C 46.909 0.000 1 351 47 48 GLY N N 119.938 0.000 1 352 48 49 GLY H H 8.609 0.000 1 353 48 49 GLY HA2 H 4.223 0.000 2 354 48 49 GLY HA3 H 3.708 0.000 2 355 48 49 GLY C C 172.939 0.000 1 356 48 49 GLY CA C 44.803 0.000 1 357 48 49 GLY N N 105.402 0.000 1 358 49 50 GLU H H 7.736 0.000 1 359 49 50 GLU HA H 5.001 0.000 1 360 49 50 GLU HB2 H 2.072 0.000 1 361 49 50 GLU HB3 H 2.072 0.000 1 362 49 50 GLU HG2 H 2.219 0.000 1 363 49 50 GLU HG3 H 2.219 0.000 1 364 49 50 GLU CA C 52.216 0.000 1 365 49 50 GLU CB C 31.913 0.000 1 366 49 50 GLU CG C 35.496 0.000 1 367 49 50 GLU N N 121.445 0.000 1 368 50 51 PRO HA H 5.137 0.000 1 369 50 51 PRO HB2 H 2.034 0.000 1 370 50 51 PRO HB3 H 2.034 0.000 1 371 50 51 PRO HD2 H 3.792 0.000 2 372 50 51 PRO HD3 H 3.706 0.000 2 373 50 51 PRO CA C 62.104 0.000 1 374 50 51 PRO CB C 31.977 0.000 1 375 50 51 PRO CD C 50.268 0.000 1 376 51 52 TYR H H 9.172 0.000 1 377 51 52 TYR HA H 4.824 0.000 1 378 51 52 TYR HB2 H 2.893 0.000 1 379 51 52 TYR HB3 H 2.893 0.000 1 380 51 52 TYR HD1 H 7.099 0.000 1 381 51 52 TYR HD2 H 7.099 0.000 1 382 51 52 TYR HE1 H 6.797 0.000 1 383 51 52 TYR HE2 H 6.797 0.000 1 384 51 52 TYR C C 175.248 0.000 1 385 51 52 TYR CA C 57.101 0.000 1 386 51 52 TYR CB C 41.815 0.000 1 387 51 52 TYR CD1 C 132.959 0.000 1 388 51 52 TYR CD2 C 132.959 0.000 1 389 51 52 TYR CE1 C 118.140 0.000 1 390 51 52 TYR CE2 C 118.140 0.000 1 391 51 52 TYR N N 121.887 0.000 1 392 52 53 THR H H 8.891 0.000 1 393 52 53 THR HA H 4.847 0.000 1 394 52 53 THR HB H 4.159 0.000 1 395 52 53 THR HG2 H 1.158 0.000 1 396 52 53 THR C C 172.414 0.000 1 397 52 53 THR CA C 62.278 0.000 1 398 52 53 THR CB C 69.385 0.000 1 399 52 53 THR CG2 C 21.742 0.000 1 400 52 53 THR N N 118.675 0.000 1 401 53 54 LEU H H 9.484 0.000 1 402 53 54 LEU HA H 5.087 0.000 1 403 53 54 LEU HB2 H 2.192 0.000 2 404 53 54 LEU HB3 H 1.305 0.000 2 405 53 54 LEU HG H 1.550 0.000 1 406 53 54 LEU HD1 H 0.961 0.000 2 407 53 54 LEU HD2 H 1.050 0.000 2 408 53 54 LEU C C 174.401 0.000 1 409 53 54 LEU CA C 53.389 0.000 1 410 53 54 LEU CB C 44.003 0.000 1 411 53 54 LEU CG C 27.031 0.000 1 412 53 54 LEU CD1 C 23.667 0.000 2 413 53 54 LEU CD2 C 26.509 0.000 2 414 53 54 LEU N N 131.904 0.000 1 415 54 55 GLY H H 9.709 0.000 1 416 54 55 GLY HA2 H 3.674 0.000 1 417 54 55 GLY HA3 H 3.674 0.000 1 418 54 55 GLY C C 172.106 0.000 1 419 54 55 GLY CA C 45.119 0.000 1 420 54 55 GLY N N 116.182 0.000 1 421 55 56 LEU H H 8.693 0.000 1 422 55 56 LEU HA H 5.184 0.000 1 423 55 56 LEU HB2 H 1.426 0.000 1 424 55 56 LEU HB3 H 1.426 0.000 1 425 55 56 LEU HG H 1.779 0.000 1 426 55 56 LEU HD1 H 0.825 0.000 2 427 55 56 LEU HD2 H 0.957 0.000 2 428 55 56 LEU CA C 53.920 0.000 1 429 55 56 LEU CB C 43.833 0.000 1 430 55 56 LEU CG C 26.207 0.000 1 431 55 56 LEU CD1 C 25.624 0.000 2 432 55 56 LEU CD2 C 24.072 0.000 2 433 55 56 LEU N N 126.044 0.000 1 434 61 62 LEU HA H 4.600 0.000 1 435 61 62 LEU HB2 H 2.063 0.000 2 436 61 62 LEU HB3 H 1.974 0.000 2 437 61 62 LEU HG H 2.029 0.000 1 438 61 62 LEU HD1 H 1.154 0.000 2 439 61 62 LEU HD2 H 1.192 0.000 2 440 61 62 LEU C C 178.809 0.000 1 441 61 62 LEU CA C 55.166 0.000 1 442 61 62 LEU CB C 42.875 0.000 1 443 61 62 LEU CG C 27.601 0.000 1 444 61 62 LEU CD1 C 23.025 0.000 2 445 61 62 LEU CD2 C 25.141 0.000 2 446 62 63 GLU H H 9.068 0.000 1 447 62 63 GLU HA H 4.336 0.000 1 448 62 63 GLU HB2 H 2.195 0.000 2 449 62 63 GLU HB3 H 2.147 0.000 2 450 62 63 GLU HG2 H 2.440 0.000 1 451 62 63 GLU HG3 H 2.440 0.000 1 452 62 63 GLU C C 178.244 0.000 1 453 62 63 GLU CA C 57.984 0.000 1 454 62 63 GLU CB C 28.969 0.000 1 455 62 63 GLU CG C 35.674 0.000 1 456 62 63 GLU N N 122.440 0.000 1 457 63 64 ASP H H 8.507 0.000 1 458 63 64 ASP HA H 4.358 0.000 1 459 63 64 ASP HB2 H 2.408 0.000 2 460 63 64 ASP HB3 H 2.079 0.000 2 461 63 64 ASP CA C 55.725 0.000 1 462 63 64 ASP CB C 39.793 0.000 1 463 63 64 ASP N N 118.175 0.000 1 464 64 65 TYR HB2 H 3.544 0.000 2 465 64 65 TYR HB3 H 2.885 0.000 2 466 64 65 TYR HD1 H 7.195 0.000 1 467 64 65 TYR HD2 H 7.195 0.000 1 468 64 65 TYR HE1 H 6.954 0.000 1 469 64 65 TYR HE2 H 6.954 0.000 1 470 64 65 TYR CB C 38.297 0.000 1 471 64 65 TYR CD1 C 133.157 0.000 1 472 64 65 TYR CD2 C 133.157 0.000 1 473 64 65 TYR CE1 C 118.075 0.000 1 474 64 65 TYR CE2 C 118.075 0.000 1 475 67 68 LEU H H 7.398 0.000 1 476 67 68 LEU HA H 4.459 0.000 1 477 67 68 LEU HB2 H 1.777 0.000 2 478 67 68 LEU HB3 H 1.724 0.000 2 479 67 68 LEU HG H 1.710 0.000 1 480 67 68 LEU HD1 H 0.944 0.000 2 481 67 68 LEU HD2 H 1.017 0.000 2 482 67 68 LEU C C 174.820 0.000 1 483 67 68 LEU CA C 55.105 0.000 1 484 67 68 LEU CB C 43.441 0.000 1 485 67 68 LEU CG C 27.170 0.000 1 486 67 68 LEU CD1 C 23.172 0.000 2 487 67 68 LEU CD2 C 24.979 0.000 2 488 67 68 LEU N N 117.723 0.000 1 489 68 69 ARG H H 8.535 0.000 1 490 68 69 ARG HB2 H 2.050 0.000 1 491 68 69 ARG HB3 H 2.050 0.000 1 492 68 69 ARG N N 123.738 0.000 1 493 69 70 PRO HA H 4.077 0.000 1 494 69 70 PRO C C 178.325 0.000 1 495 69 70 PRO CA C 63.608 0.000 1 496 69 70 PRO CB C 29.957 0.000 1 497 70 71 LEU H H 7.482 0.000 1 498 70 71 LEU HA H 4.088 0.000 1 499 70 71 LEU HB2 H 1.932 0.000 2 500 70 71 LEU HB3 H 1.595 0.000 2 501 70 71 LEU HG H 1.816 0.000 1 502 70 71 LEU HD1 H 0.927 0.000 2 503 70 71 LEU HD2 H 1.028 0.000 2 504 70 71 LEU C C 179.173 0.000 1 505 70 71 LEU CA C 56.976 0.000 1 506 70 71 LEU CB C 40.378 0.000 1 507 70 71 LEU CG C 27.288 0.000 1 508 70 71 LEU CD1 C 22.269 0.000 2 509 70 71 LEU CD2 C 25.181 0.000 2 510 70 71 LEU N N 118.923 0.000 1 511 71 72 SER H H 7.952 0.000 1 512 71 72 SER HA H 4.468 0.000 1 513 71 72 SER HB2 H 3.993 0.000 2 514 71 72 SER HB3 H 3.912 0.000 2 515 71 72 SER C C 174.249 0.000 1 516 71 72 SER CA C 60.264 0.000 1 517 71 72 SER CB C 63.595 0.000 1 518 71 72 SER N N 112.756 0.000 1 519 72 73 TYR H H 7.195 0.000 1 520 72 73 TYR HA H 4.721 0.000 1 521 72 73 TYR HB2 H 3.311 0.000 1 522 72 73 TYR HB3 H 3.311 0.000 1 523 72 73 TYR CA C 55.946 0.000 1 524 72 73 TYR CB C 35.587 0.000 1 525 72 73 TYR N N 120.188 0.000 1 526 73 74 PRO HA H 4.358 0.000 1 527 73 74 PRO HB2 H 2.345 0.000 1 528 73 74 PRO HB3 H 2.345 0.000 1 529 73 74 PRO HG2 H 2.161 0.000 1 530 73 74 PRO HG3 H 2.161 0.000 1 531 73 74 PRO HD2 H 3.968 0.000 1 532 73 74 PRO HD3 H 3.968 0.000 1 533 73 74 PRO C C 176.219 0.000 1 534 73 74 PRO CA C 66.039 0.000 1 535 73 74 PRO CB C 30.286 0.000 1 536 73 74 PRO CG C 28.478 0.000 1 537 73 74 PRO CD C 51.336 0.000 1 538 74 75 GLN H H 9.011 0.000 1 539 74 75 GLN HA H 3.866 0.000 1 540 74 75 GLN HB2 H 2.361 0.000 2 541 74 75 GLN HB3 H 2.273 0.000 2 542 74 75 GLN HG2 H 2.373 0.000 2 543 74 75 GLN HG3 H 2.275 0.000 2 544 74 75 GLN HE21 H 7.531 0.000 1 545 74 75 GLN HE22 H 6.801 0.000 1 546 74 75 GLN C C 174.843 0.000 1 547 74 75 GLN CA C 57.143 0.000 1 548 74 75 GLN CB C 25.698 0.000 1 549 74 75 GLN CG C 34.764 0.000 1 550 74 75 GLN N N 115.302 0.000 1 551 74 75 GLN NE2 N 112.146 0.000 1 552 75 76 THR H H 7.420 0.000 1 553 75 76 THR HA H 3.232 0.000 1 554 75 76 THR HB H 3.624 0.000 1 555 75 76 THR HG2 H 0.051 0.000 1 556 75 76 THR C C 173.754 0.000 1 557 75 76 THR CA C 67.199 0.000 1 558 75 76 THR CB C 67.827 0.000 1 559 75 76 THR CG2 C 22.283 0.000 1 560 75 76 THR N N 117.210 0.000 1 561 76 77 ASP H H 8.850 0.000 1 562 76 77 ASP HA H 4.949 0.000 1 563 76 77 ASP HB2 H 2.739 0.000 1 564 76 77 ASP HB3 H 2.739 0.000 1 565 76 77 ASP C C 175.152 0.000 1 566 76 77 ASP CA C 56.077 0.000 1 567 76 77 ASP CB C 43.915 0.000 1 568 76 77 ASP N N 124.649 0.000 1 569 77 78 VAL H H 7.594 0.000 1 570 77 78 VAL HA H 4.771 0.000 1 571 77 78 VAL HB H 2.210 0.000 1 572 77 78 VAL HG1 H 0.771 0.000 2 573 77 78 VAL HG2 H 0.979 0.000 2 574 77 78 VAL C C 171.444 0.000 1 575 77 78 VAL CA C 60.165 0.000 1 576 77 78 VAL CB C 32.701 0.000 1 577 77 78 VAL CG1 C 17.263 0.000 2 578 77 78 VAL CG2 C 20.613 0.000 2 579 77 78 VAL N N 116.776 0.000 1 580 78 79 PHE H H 8.337 0.000 1 581 78 79 PHE HA H 5.731 0.000 1 582 78 79 PHE HB2 H 2.958 0.000 2 583 78 79 PHE HB3 H 2.843 0.000 2 584 78 79 PHE HD1 H 7.047 0.000 1 585 78 79 PHE HD2 H 7.047 0.000 1 586 78 79 PHE C C 175.917 0.000 1 587 78 79 PHE CA C 56.536 0.000 1 588 78 79 PHE CB C 43.552 0.000 1 589 78 79 PHE N N 122.746 0.000 1 590 79 80 LEU H H 8.995 0.000 1 591 79 80 LEU HA H 4.769 0.000 1 592 79 80 LEU HB2 H 1.875 0.000 2 593 79 80 LEU HB3 H 1.078 0.000 2 594 79 80 LEU HG H 1.394 0.000 1 595 79 80 LEU HD1 H 0.346 0.000 2 596 79 80 LEU HD2 H 0.526 0.000 2 597 79 80 LEU C C 174.180 0.000 1 598 79 80 LEU CA C 53.517 0.000 1 599 79 80 LEU CB C 41.426 0.000 1 600 79 80 LEU CG C 26.354 0.000 1 601 79 80 LEU CD1 C 25.531 0.000 2 602 79 80 LEU CD2 C 23.201 0.000 2 603 79 80 LEU N N 119.752 0.000 1 604 80 81 VAL H H 8.815 0.000 1 605 80 81 VAL HA H 4.308 0.000 1 606 80 81 VAL HB H 2.409 0.000 1 607 80 81 VAL HG1 H 0.729 0.000 2 608 80 81 VAL HG2 H 0.916 0.000 2 609 80 81 VAL C C 174.756 0.000 1 610 80 81 VAL CA C 61.134 0.000 1 611 80 81 VAL CB C 30.852 0.000 1 612 80 81 VAL CG1 C 21.157 0.000 2 613 80 81 VAL CG2 C 22.865 0.000 2 614 80 81 VAL N N 125.285 0.000 1 615 81 82 CYS H H 8.974 0.000 1 616 81 82 CYS HA H 5.852 0.000 1 617 81 82 CYS HB2 H 2.581 0.000 2 618 81 82 CYS HB3 H 2.243 0.000 2 619 81 82 CYS C C 174.264 0.000 1 620 81 82 CYS CA C 57.568 0.000 1 621 81 82 CYS CB C 30.387 0.000 1 622 81 82 CYS N N 124.457 0.000 1 623 82 83 PHE H H 8.934 0.000 1 624 82 83 PHE HA H 4.642 0.000 1 625 82 83 PHE HB2 H 3.137 0.000 2 626 82 83 PHE HB3 H 2.862 0.000 2 627 82 83 PHE HD1 H 7.235 0.000 1 628 82 83 PHE HD2 H 7.235 0.000 1 629 82 83 PHE HE1 H 7.366 0.000 1 630 82 83 PHE HE2 H 7.366 0.000 1 631 82 83 PHE C C 171.262 0.000 1 632 82 83 PHE CA C 56.125 0.000 1 633 82 83 PHE CB C 39.993 0.000 1 634 82 83 PHE CD1 C 132.065 0.000 1 635 82 83 PHE CD2 C 132.065 0.000 1 636 82 83 PHE CE1 C 130.675 0.000 1 637 82 83 PHE CE2 C 130.675 0.000 1 638 82 83 PHE N N 118.512 0.000 1 639 83 84 SER H H 8.117 0.000 1 640 83 84 SER HA H 5.241 0.000 1 641 83 84 SER HB2 H 4.070 0.000 1 642 83 84 SER HB3 H 4.070 0.000 1 643 83 84 SER C C 178.570 0.000 1 644 83 84 SER CA C 54.890 0.000 1 645 83 84 SER CB C 63.874 0.000 1 646 83 84 SER N N 114.062 0.000 1 647 84 85 VAL H H 8.638 0.000 1 648 84 85 VAL HA H 4.340 0.000 1 649 84 85 VAL HB H 2.890 0.000 1 650 84 85 VAL HG1 H 0.961 0.000 2 651 84 85 VAL HG2 H 1.055 0.000 2 652 84 85 VAL C C 175.918 0.000 1 653 84 85 VAL CA C 63.699 0.000 1 654 84 85 VAL CB C 30.351 0.000 1 655 84 85 VAL CG1 C 20.302 0.000 2 656 84 85 VAL CG2 C 20.686 0.000 2 657 84 85 VAL N N 121.261 0.000 1 658 85 86 VAL H H 7.601 0.000 1 659 85 86 VAL HA H 4.559 0.000 1 660 85 86 VAL HB H 2.539 0.000 1 661 85 86 VAL HG1 H 0.722 0.000 2 662 85 86 VAL HG2 H 0.786 0.000 2 663 85 86 VAL C C 173.459 0.000 1 664 85 86 VAL CA C 59.891 0.000 1 665 85 86 VAL CB C 30.009 0.000 1 666 85 86 VAL CG1 C 21.278 0.000 2 667 85 86 VAL CG2 C 18.376 0.000 2 668 85 86 VAL N N 108.442 0.000 1 669 86 87 SER H H 7.793 0.000 1 670 86 87 SER HA H 5.248 0.000 1 671 86 87 SER HB2 H 3.836 0.000 1 672 86 87 SER HB3 H 3.836 0.000 1 673 86 87 SER CA C 53.673 0.000 1 674 86 87 SER CB C 62.597 0.000 1 675 86 87 SER N N 113.202 0.000 1 676 87 88 PRO HA H 4.343 0.000 1 677 87 88 PRO HB2 H 2.131 0.000 2 678 87 88 PRO HB3 H 2.092 0.000 2 679 87 88 PRO HG2 H 2.159 0.000 1 680 87 88 PRO HG3 H 2.159 0.000 1 681 87 88 PRO HD2 H 3.950 0.000 2 682 87 88 PRO HD3 H 3.435 0.000 2 683 87 88 PRO C C 178.438 0.000 1 684 87 88 PRO CA C 65.606 0.000 1 685 87 88 PRO CB C 32.141 0.000 1 686 87 88 PRO CG C 28.498 0.000 1 687 87 88 PRO CD C 50.649 0.000 1 688 88 89 SER H H 8.912 0.000 1 689 88 89 SER HA H 4.335 0.000 1 690 88 89 SER HB2 H 4.012 0.000 1 691 88 89 SER HB3 H 4.012 0.000 1 692 88 89 SER C C 176.271 0.000 1 693 88 89 SER CA C 61.732 0.000 1 694 88 89 SER CB C 61.729 0.000 1 695 88 89 SER N N 114.200 0.000 1 696 89 90 SER H H 8.054 0.000 1 697 89 90 SER HA H 5.156 0.000 1 698 89 90 SER HB2 H 4.471 0.000 1 699 89 90 SER HB3 H 4.471 0.000 1 700 89 90 SER C C 176.588 0.000 1 701 89 90 SER CA C 61.110 0.000 1 702 89 90 SER CB C 63.802 0.000 1 703 89 90 SER N N 121.378 0.000 1 704 90 91 PHE H H 7.471 0.000 1 705 90 91 PHE HA H 4.010 0.000 1 706 90 91 PHE HB2 H 3.375 0.000 2 707 90 91 PHE HB3 H 2.904 0.000 2 708 90 91 PHE HD1 H 6.103 0.000 1 709 90 91 PHE HD2 H 6.103 0.000 1 710 90 91 PHE HE1 H 6.826 0.000 1 711 90 91 PHE HE2 H 6.826 0.000 1 712 90 91 PHE HZ H 6.918 0.000 1 713 90 91 PHE C C 177.340 0.000 1 714 90 91 PHE CA C 59.957 0.000 1 715 90 91 PHE CB C 39.341 0.000 1 716 90 91 PHE CD1 C 131.588 0.000 1 717 90 91 PHE CD2 C 131.588 0.000 1 718 90 91 PHE CE1 C 130.535 0.000 1 719 90 91 PHE CE2 C 130.535 0.000 1 720 90 91 PHE N N 125.831 0.000 1 721 91 92 GLU H H 8.169 0.000 1 722 91 92 GLU HA H 4.002 0.000 1 723 91 92 GLU HB2 H 2.207 0.000 2 724 91 92 GLU HB3 H 2.181 0.000 2 725 91 92 GLU HG2 H 2.465 0.000 1 726 91 92 GLU HG3 H 2.465 0.000 1 727 91 92 GLU C C 179.799 0.000 1 728 91 92 GLU CA C 58.837 0.000 1 729 91 92 GLU CB C 28.702 0.000 1 730 91 92 GLU CG C 35.490 0.000 1 731 91 92 GLU N N 120.069 0.000 1 732 92 93 ASN H H 8.137 0.000 1 733 92 93 ASN HA H 4.842 0.000 1 734 92 93 ASN HB2 H 3.382 0.000 2 735 92 93 ASN HB3 H 2.937 0.000 2 736 92 93 ASN HD21 H 6.726 0.000 1 737 92 93 ASN HD22 H 10.234 0.000 1 738 92 93 ASN C C 178.723 0.000 1 739 92 93 ASN CA C 54.573 0.000 1 740 92 93 ASN CB C 38.101 0.000 1 741 92 93 ASN N N 115.094 0.000 1 742 92 93 ASN ND2 N 116.716 0.000 1 743 93 94 VAL H H 7.871 0.000 1 744 93 94 VAL HA H 3.819 0.000 1 745 93 94 VAL HB H 2.363 0.000 1 746 93 94 VAL HG1 H 0.907 0.000 2 747 93 94 VAL HG2 H 1.316 0.000 2 748 93 94 VAL C C 175.081 0.000 1 749 93 94 VAL CA C 68.452 0.000 1 750 93 94 VAL CB C 30.865 0.000 1 751 93 94 VAL CG1 C 22.483 0.000 2 752 93 94 VAL CG2 C 22.689 0.000 2 753 93 94 VAL N N 124.736 0.000 1 754 94 95 LYS H H 6.642 0.000 1 755 94 95 LYS HA H 3.997 0.000 1 756 94 95 LYS HB2 H 1.973 0.000 2 757 94 95 LYS HB3 H 1.734 0.000 2 758 94 95 LYS HG2 H 1.372 0.000 1 759 94 95 LYS HG3 H 1.372 0.000 1 760 94 95 LYS HD2 H 1.645 0.000 1 761 94 95 LYS HD3 H 1.645 0.000 1 762 94 95 LYS HE2 H 2.917 0.000 1 763 94 95 LYS HE3 H 2.917 0.000 1 764 94 95 LYS C C 177.083 0.000 1 765 94 95 LYS CA C 58.056 0.000 1 766 94 95 LYS CB C 33.415 0.000 1 767 94 95 LYS CG C 24.497 0.000 1 768 94 95 LYS CD C 29.354 0.000 1 769 94 95 LYS CE C 41.584 0.000 1 770 94 95 LYS N N 115.883 0.000 1 771 95 96 GLU H H 7.659 0.000 1 772 95 96 GLU HA H 4.170 0.000 1 773 95 96 GLU HB2 H 2.182 0.000 2 774 95 96 GLU HB3 H 1.898 0.000 2 775 95 96 GLU HG2 H 2.408 0.000 2 776 95 96 GLU HG3 H 2.326 0.000 2 777 95 96 GLU C C 176.309 0.000 1 778 95 96 GLU CA C 57.581 0.000 1 779 95 96 GLU CB C 30.411 0.000 1 780 95 96 GLU CG C 35.262 0.000 1 781 95 96 GLU N N 113.100 0.000 1 782 96 97 LYS H H 8.087 0.000 1 783 96 97 LYS HA H 4.353 0.000 1 784 96 97 LYS HB2 H 1.304 0.000 2 785 96 97 LYS HB3 H 1.043 0.000 2 786 96 97 LYS HG2 H 0.658 0.000 2 787 96 97 LYS HG3 H -0.168 0.000 2 788 96 97 LYS HD2 H 0.999 0.000 2 789 96 97 LYS HD3 H 0.749 0.000 2 790 96 97 LYS HE2 H 2.301 0.000 2 791 96 97 LYS HE3 H 2.200 0.000 2 792 96 97 LYS C C 177.875 0.000 1 793 96 97 LYS CA C 57.280 0.000 1 794 96 97 LYS CB C 35.217 0.000 1 795 96 97 LYS CG C 24.835 0.000 1 796 96 97 LYS CD C 29.129 0.000 1 797 96 97 LYS CE C 41.396 0.000 1 798 96 97 LYS N N 116.299 0.000 1 799 97 98 TRP H H 7.738 0.000 1 800 97 98 TRP HA H 4.434 0.000 1 801 97 98 TRP HB2 H 3.305 0.000 2 802 97 98 TRP HB3 H 3.029 0.000 2 803 97 98 TRP HD1 H 6.799 0.000 1 804 97 98 TRP HE1 H 11.718 0.000 1 805 97 98 TRP HE3 H 7.332 0.000 1 806 97 98 TRP HZ2 H 7.720 0.000 1 807 97 98 TRP HH2 H 7.154 0.000 1 808 97 98 TRP CA C 60.879 0.000 1 809 97 98 TRP CB C 31.167 0.000 1 810 97 98 TRP CD1 C 126.037 0.000 1 811 97 98 TRP CE3 C 119.029 0.000 1 812 97 98 TRP CZ2 C 116.117 0.000 1 813 97 98 TRP CH2 C 123.876 0.000 1 814 97 98 TRP N N 120.676 0.000 1 815 97 98 TRP NE1 N 133.948 0.000 1 816 98 99 VAL H H 8.605 0.000 1 817 98 99 VAL HA H 3.611 0.000 1 818 98 99 VAL HB H 2.216 0.000 1 819 98 99 VAL HG1 H 0.699 0.000 2 820 98 99 VAL HG2 H 0.801 0.000 2 821 98 99 VAL CA C 68.240 0.000 1 822 98 99 VAL CB C 28.635 0.000 1 823 98 99 VAL CG1 C 25.329 0.000 2 824 98 99 VAL CG2 C 21.563 0.000 2 825 98 99 VAL N N 117.372 0.000 1 826 99 100 PRO HD2 H 3.484 0.000 1 827 99 100 PRO HD3 H 3.484 0.000 1 828 99 100 PRO C C 177.475 0.000 1 829 99 100 PRO CA C 66.589 0.000 1 830 99 100 PRO CB C 30.627 0.000 1 831 99 100 PRO CD C 49.447 0.000 1 832 100 101 GLU H H 7.555 0.000 1 833 100 101 GLU HA H 4.263 0.000 1 834 100 101 GLU HB2 H 2.255 0.000 1 835 100 101 GLU HB3 H 2.255 0.000 1 836 100 101 GLU HG2 H 2.373 0.000 1 837 100 101 GLU HG3 H 2.373 0.000 1 838 100 101 GLU C C 178.958 0.000 1 839 100 101 GLU CA C 60.816 0.000 1 840 100 101 GLU CB C 30.120 0.000 1 841 100 101 GLU CG C 35.872 0.000 1 842 100 101 GLU N N 117.604 0.000 1 843 101 102 ILE H H 8.256 0.000 1 844 101 102 ILE HA H 3.614 0.000 1 845 101 102 ILE HB H 0.567 0.000 1 846 101 102 ILE HG12 H 1.121 0.000 2 847 101 102 ILE HG13 H 1.011 0.000 2 848 101 102 ILE HG2 H 0.161 0.000 1 849 101 102 ILE HD1 H -0.061 0.000 1 850 101 102 ILE C C 178.077 0.000 1 851 101 102 ILE CA C 65.815 0.000 1 852 101 102 ILE CB C 36.070 0.000 1 853 101 102 ILE CG1 C 25.272 0.000 1 854 101 102 ILE CG2 C 18.136 0.000 1 855 101 102 ILE CD1 C 14.179 0.000 1 856 101 102 ILE N N 113.972 0.000 1 857 102 103 THR H H 7.912 0.000 1 858 102 103 THR HA H 3.872 0.000 1 859 102 103 THR HB H 4.220 0.000 1 860 102 103 THR HG2 H 1.324 0.000 1 861 102 103 THR C C 176.221 0.000 1 862 102 103 THR CA C 64.852 0.000 1 863 102 103 THR CB C 69.425 0.000 1 864 102 103 THR CG2 C 21.684 0.000 1 865 102 103 THR N N 113.670 0.000 1 866 103 104 HIS H H 7.676 0.000 1 867 103 104 HIS HA H 4.356 0.000 1 868 103 104 HIS HB2 H 3.324 0.000 1 869 103 104 HIS HB3 H 3.324 0.000 1 870 103 104 HIS HD2 H 6.049 0.000 1 871 103 104 HIS C C 176.165 0.000 1 872 103 104 HIS CA C 58.115 0.000 1 873 103 104 HIS CB C 28.382 0.000 1 874 103 104 HIS CD2 C 118.851 0.000 1 875 103 104 HIS N N 119.003 0.000 1 876 104 105 HIS H H 7.246 0.000 1 877 104 105 HIS HA H 4.346 0.000 1 878 104 105 HIS HB2 H 3.616 0.000 2 879 104 105 HIS HB3 H 3.131 0.000 2 880 104 105 HIS C C 176.388 0.000 1 881 104 105 HIS CA C 59.353 0.000 1 882 104 105 HIS CB C 33.412 0.000 1 883 104 105 HIS N N 114.282 0.000 1 884 105 106 CYS H H 8.531 0.000 1 885 105 106 CYS HA H 5.077 0.000 1 886 105 106 CYS HB2 H 3.662 0.000 2 887 105 106 CYS HB3 H 3.098 0.000 2 888 105 106 CYS CA C 56.228 0.000 1 889 105 106 CYS CB C 28.858 0.000 1 890 105 106 CYS N N 118.013 0.000 1 891 106 107 PRO HA H 4.585 0.000 1 892 106 107 PRO HB2 H 2.582 0.000 2 893 106 107 PRO HB3 H 1.995 0.000 2 894 106 107 PRO HG2 H 2.138 0.000 1 895 106 107 PRO HG3 H 2.138 0.000 1 896 106 107 PRO HD2 H 3.671 0.000 2 897 106 107 PRO HD3 H 3.365 0.000 2 898 106 107 PRO C C 177.995 0.000 1 899 106 107 PRO CA C 64.736 0.000 1 900 106 107 PRO CB C 32.002 0.000 1 901 106 107 PRO CD C 49.842 0.000 1 902 107 108 LYS H H 8.802 0.000 1 903 107 108 LYS HA H 4.458 0.000 1 904 107 108 LYS HB2 H 2.164 0.000 2 905 107 108 LYS HB3 H 1.999 0.000 2 906 107 108 LYS HG2 H 1.498 0.000 1 907 107 108 LYS HG3 H 1.498 0.000 1 908 107 108 LYS HD2 H 1.780 0.000 1 909 107 108 LYS HD3 H 1.780 0.000 1 910 107 108 LYS HE2 H 3.084 0.000 1 911 107 108 LYS HE3 H 3.084 0.000 1 912 107 108 LYS C C 176.344 0.000 1 913 107 108 LYS CA C 55.637 0.000 1 914 107 108 LYS CB C 31.564 0.000 1 915 107 108 LYS CG C 25.069 0.000 1 916 107 108 LYS CD C 28.832 0.000 1 917 107 108 LYS CE C 42.009 0.000 1 918 107 108 LYS N N 116.631 0.000 1 919 108 109 THR H H 7.587 0.000 1 920 108 109 THR HA H 4.764 0.000 1 921 108 109 THR HB H 4.189 0.000 1 922 108 109 THR HG2 H 1.386 0.000 1 923 108 109 THR CA C 61.458 0.000 1 924 108 109 THR CB C 70.136 0.000 1 925 108 109 THR CG2 C 22.079 0.000 1 926 108 109 THR N N 120.925 0.000 1 927 109 110 PRO HA H 4.646 0.000 1 928 109 110 PRO HB2 H 2.358 0.000 2 929 109 110 PRO HB3 H 1.778 0.000 2 930 109 110 PRO HG2 H 2.180 0.000 1 931 109 110 PRO HG3 H 2.180 0.000 1 932 109 110 PRO HD2 H 4.275 0.000 2 933 109 110 PRO HD3 H 4.026 0.000 2 934 109 110 PRO C C 174.873 0.000 1 935 109 110 PRO CA C 62.459 0.000 1 936 109 110 PRO CB C 33.565 0.000 1 937 109 110 PRO CG C 27.145 0.000 1 938 109 110 PRO CD C 51.506 0.000 1 939 110 111 PHE H H 8.190 0.000 1 940 110 111 PHE HA H 6.009 0.000 1 941 110 111 PHE HB2 H 3.075 0.000 2 942 110 111 PHE HB3 H 2.974 0.000 2 943 110 111 PHE HD1 H 7.037 0.000 1 944 110 111 PHE HD2 H 7.037 0.000 1 945 110 111 PHE HE1 H 7.102 0.000 1 946 110 111 PHE HE2 H 7.102 0.000 1 947 110 111 PHE HZ H 7.337 0.000 1 948 110 111 PHE C C 172.871 0.000 1 949 110 111 PHE CA C 54.464 0.000 1 950 110 111 PHE CB C 43.505 0.000 1 951 110 111 PHE CD1 C 132.180 0.000 1 952 110 111 PHE CD2 C 132.180 0.000 1 953 110 111 PHE CE1 C 130.328 0.000 1 954 110 111 PHE CE2 C 130.328 0.000 1 955 110 111 PHE N N 112.920 0.000 1 956 111 112 LEU H H 8.672 0.000 1 957 111 112 LEU HA H 4.756 0.000 1 958 111 112 LEU HB2 H 1.473 0.000 2 959 111 112 LEU HB3 H 1.402 0.000 2 960 111 112 LEU HG H 1.477 0.000 1 961 111 112 LEU HD1 H 0.656 0.000 1 962 111 112 LEU HD2 H 0.656 0.000 1 963 111 112 LEU C C 175.487 0.000 1 964 111 112 LEU CA C 54.006 0.000 1 965 111 112 LEU CB C 43.814 0.000 1 966 111 112 LEU CG C 29.679 0.000 1 967 111 112 LEU CD1 C 25.072 0.000 2 968 111 112 LEU CD2 C 25.906 0.000 2 969 111 112 LEU N N 120.526 0.000 1 970 112 113 LEU H H 8.083 0.000 1 971 112 113 LEU HA H 5.460 0.000 1 972 112 113 LEU HB2 H 2.210 0.000 2 973 112 113 LEU HB3 H 1.596 0.000 2 974 112 113 LEU HG H 2.105 0.000 1 975 112 113 LEU HD1 H 1.125 0.000 2 976 112 113 LEU HD2 H 1.267 0.000 2 977 112 113 LEU C C 173.786 0.000 1 978 112 113 LEU CA C 53.652 0.000 1 979 112 113 LEU CB C 44.146 0.000 1 980 112 113 LEU CG C 27.973 0.000 1 981 112 113 LEU CD1 C 25.827 0.000 2 982 112 113 LEU CD2 C 25.638 0.000 2 983 112 113 LEU N N 122.700 0.000 1 984 113 114 VAL H H 9.207 0.000 1 985 113 114 VAL HA H 4.975 0.000 1 986 113 114 VAL HB H 2.176 0.000 1 987 113 114 VAL HG1 H 0.460 0.000 2 988 113 114 VAL HG2 H 0.557 0.000 2 989 113 114 VAL C C 174.503 0.000 1 990 113 114 VAL CA C 59.535 0.000 1 991 113 114 VAL CB C 33.762 0.000 1 992 113 114 VAL CG1 C 20.693 0.000 2 993 113 114 VAL CG2 C 21.714 0.000 2 994 113 114 VAL N N 126.476 0.000 1 995 114 115 GLY H H 8.778 0.000 1 996 114 115 GLY HA2 H 3.744 0.000 2 997 114 115 GLY HA3 H 3.339 0.000 2 998 114 115 GLY C C 173.444 0.000 1 999 114 115 GLY CA C 44.160 0.000 1 1000 114 115 GLY N N 115.897 0.000 1 1001 115 116 THR H H 9.242 0.000 1 1002 115 116 THR HA H 5.105 0.000 1 1003 115 116 THR HB H 4.668 0.000 1 1004 115 116 THR HG2 H 0.711 0.000 1 1005 115 116 THR C C 175.394 0.000 1 1006 115 116 THR CA C 59.246 0.000 1 1007 115 116 THR CB C 70.430 0.000 1 1008 115 116 THR CG2 C 22.527 0.000 1 1009 115 116 THR N N 116.261 0.000 1 1010 116 117 GLN H H 9.394 0.000 1 1011 116 117 GLN HA H 4.078 0.000 1 1012 116 117 GLN HG2 H 2.421 0.000 1 1013 116 117 GLN HG3 H 2.421 0.000 1 1014 116 117 GLN C C 179.177 0.000 1 1015 116 117 GLN CA C 56.117 0.000 1 1016 116 117 GLN CB C 24.051 0.000 1 1017 116 117 GLN CG C 32.614 0.000 1 1018 116 117 GLN N N 109.286 0.000 1 1019 117 118 ILE H H 7.637 0.000 1 1020 117 118 ILE HA H 3.901 0.000 1 1021 117 118 ILE HB H 2.088 0.000 1 1022 117 118 ILE HG12 H 1.260 0.000 1 1023 117 118 ILE HG13 H 1.260 0.000 1 1024 117 118 ILE HG2 H 0.872 0.000 1 1025 117 118 ILE HD1 H 0.607 0.000 1 1026 117 118 ILE C C 178.108 0.000 1 1027 117 118 ILE CA C 64.564 0.000 1 1028 117 118 ILE CB C 36.350 0.000 1 1029 117 118 ILE CG1 C 25.143 0.000 1 1030 117 118 ILE CG2 C 16.612 0.000 1 1031 117 118 ILE CD1 C 13.215 0.000 1 1032 117 118 ILE N N 106.708 0.000 1 1033 118 119 ASP H H 8.718 0.000 1 1034 118 119 ASP HA H 4.554 0.000 1 1035 118 119 ASP HB2 H 2.727 0.000 1 1036 118 119 ASP HB3 H 2.727 0.000 1 1037 118 119 ASP C C 176.986 0.000 1 1038 118 119 ASP CA C 55.334 0.000 1 1039 118 119 ASP CB C 40.349 0.000 1 1040 118 119 ASP N N 119.752 0.000 1 1041 119 120 LEU H H 7.909 0.000 1 1042 119 120 LEU HA H 4.438 0.000 1 1043 119 120 LEU HB2 H 2.070 0.000 1 1044 119 120 LEU HB3 H 2.070 0.000 1 1045 119 120 LEU HG H 1.718 0.000 1 1046 119 120 LEU HD1 H 0.835 0.000 2 1047 119 120 LEU HD2 H 0.983 0.000 2 1048 119 120 LEU C C 178.179 0.000 1 1049 119 120 LEU CA C 55.245 0.000 1 1050 119 120 LEU CB C 41.832 0.000 1 1051 119 120 LEU CG C 26.921 0.000 1 1052 119 120 LEU CD1 C 21.345 0.000 2 1053 119 120 LEU CD2 C 25.475 0.000 2 1054 119 120 LEU N N 118.467 0.000 1 1055 120 121 ARG H H 7.268 0.000 1 1056 120 121 ARG HA H 3.661 0.000 1 1057 120 121 ARG HB2 H 1.859 0.000 2 1058 120 121 ARG HB3 H 1.681 0.000 2 1059 120 121 ARG HG2 H 1.681 0.000 2 1060 120 121 ARG HG3 H 1.435 0.000 2 1061 120 121 ARG HD2 H 3.326 0.000 1 1062 120 121 ARG HD3 H 3.326 0.000 1 1063 120 121 ARG C C 174.820 0.000 1 1064 120 121 ARG CA C 59.957 0.000 1 1065 120 121 ARG CB C 30.224 0.000 1 1066 120 121 ARG CG C 28.940 0.000 1 1067 120 121 ARG N N 117.433 0.000 1 1068 121 122 ASP H H 7.096 0.000 1 1069 121 122 ASP HA H 4.888 0.000 1 1070 121 122 ASP HB2 H 2.955 0.000 2 1071 121 122 ASP HB3 H 2.534 0.000 2 1072 121 122 ASP C C 175.476 0.000 1 1073 121 122 ASP CA C 52.728 0.000 1 1074 121 122 ASP CB C 41.481 0.000 1 1075 121 122 ASP N N 112.269 0.000 1 1076 122 123 ASP H H 7.250 0.000 1 1077 122 123 ASP HA H 5.062 0.000 1 1078 122 123 ASP HB2 H 3.142 0.000 2 1079 122 123 ASP HB3 H 2.867 0.000 2 1080 122 123 ASP CA C 51.414 0.000 1 1081 122 123 ASP CB C 43.526 0.000 1 1082 122 123 ASP N N 122.828 0.000 1 1083 123 124 PRO HA H 4.239 0.000 1 1084 123 124 PRO HB2 H 2.468 0.000 2 1085 123 124 PRO HB3 H 2.084 0.000 2 1086 123 124 PRO HG2 H 2.270 0.000 1 1087 123 124 PRO HG3 H 2.270 0.000 1 1088 123 124 PRO HD2 H 4.478 0.000 2 1089 123 124 PRO HD3 H 3.970 0.000 2 1090 123 124 PRO C C 179.100 0.000 1 1091 123 124 PRO CA C 65.756 0.000 1 1092 123 124 PRO CB C 32.185 0.000 1 1093 123 124 PRO CG C 27.471 0.000 1 1094 123 124 PRO CD C 51.256 0.000 1 1095 124 125 SER H H 8.334 0.000 1 1096 124 125 SER HA H 4.338 0.000 1 1097 124 125 SER HB2 H 4.131 0.000 2 1098 124 125 SER HB3 H 4.052 0.000 2 1099 124 125 SER C C 176.856 0.000 1 1100 124 125 SER CA C 61.769 0.000 1 1101 124 125 SER CB C 62.290 0.000 1 1102 124 125 SER N N 113.140 0.000 1 1103 125 126 THR H H 7.924 0.000 1 1104 125 126 THR HA H 4.748 0.000 1 1105 125 126 THR HB H 3.972 0.000 1 1106 125 126 THR HG2 H 1.323 0.000 1 1107 125 126 THR C C 175.927 0.000 1 1108 125 126 THR CA C 67.929 0.000 1 1109 125 126 THR CB C 67.672 0.000 1 1110 125 126 THR CG2 C 21.159 0.000 1 1111 125 126 THR N N 122.444 0.000 1 1112 126 127 ILE H H 8.232 0.000 1 1113 126 127 ILE HA H 3.627 0.000 1 1114 126 127 ILE HB H 2.024 0.000 1 1115 126 127 ILE HG12 H 1.628 0.000 2 1116 126 127 ILE HG13 H 1.299 0.000 2 1117 126 127 ILE HG2 H 1.007 0.000 1 1118 126 127 ILE HD1 H 0.872 0.000 1 1119 126 127 ILE C C 179.169 0.000 1 1120 126 127 ILE CA C 64.836 0.000 1 1121 126 127 ILE CB C 37.127 0.000 1 1122 126 127 ILE CG1 C 28.531 0.000 1 1123 126 127 ILE CG2 C 17.113 0.000 1 1124 126 127 ILE CD1 C 12.008 0.000 1 1125 126 127 ILE N N 122.105 0.000 1 1126 127 128 GLU H H 8.256 0.000 1 1127 127 128 GLU HA H 4.216 0.000 1 1128 127 128 GLU HB2 H 2.189 0.000 1 1129 127 128 GLU HB3 H 2.189 0.000 1 1130 127 128 GLU HG2 H 2.430 0.000 2 1131 127 128 GLU HG3 H 2.328 0.000 2 1132 127 128 GLU C C 178.315 0.000 1 1133 127 128 GLU CA C 59.119 0.000 1 1134 127 128 GLU CB C 29.392 0.000 1 1135 127 128 GLU CG C 35.793 0.000 1 1136 127 128 GLU N N 120.910 0.000 1 1137 128 129 LYS H H 7.920 0.000 1 1138 128 129 LYS HA H 4.051 0.000 1 1139 128 129 LYS HB2 H 2.088 0.000 2 1140 128 129 LYS HB3 H 1.978 0.000 2 1141 128 129 LYS HG2 H 1.510 0.000 1 1142 128 129 LYS HG3 H 1.510 0.000 1 1143 128 129 LYS HD2 H 1.816 0.000 2 1144 128 129 LYS HD3 H 1.743 0.000 2 1145 128 129 LYS HE2 H 3.070 0.000 1 1146 128 129 LYS HE3 H 3.070 0.000 1 1147 128 129 LYS C C 179.941 0.000 1 1148 128 129 LYS CA C 59.646 0.000 1 1149 128 129 LYS CB C 32.037 0.000 1 1150 128 129 LYS CG C 25.074 0.000 1 1151 128 129 LYS CD C 28.968 0.000 1 1152 128 129 LYS CE C 42.155 0.000 1 1153 128 129 LYS N N 121.333 0.000 1 1154 129 130 LEU H H 8.140 0.000 1 1155 129 130 LEU HA H 4.198 0.000 1 1156 129 130 LEU HB2 H 1.926 0.000 2 1157 129 130 LEU HB3 H 1.131 0.000 2 1158 129 130 LEU HG H 1.931 0.000 1 1159 129 130 LEU HD1 H 0.751 0.000 2 1160 129 130 LEU HD2 H 0.880 0.000 2 1161 129 130 LEU C C 179.852 0.000 1 1162 129 130 LEU CA C 57.727 0.000 1 1163 129 130 LEU CB C 41.716 0.000 1 1164 129 130 LEU CG C 27.095 0.000 1 1165 129 130 LEU CD1 C 25.071 0.000 2 1166 129 130 LEU CD2 C 22.482 0.000 2 1167 129 130 LEU N N 119.225 0.000 1 1168 130 131 ALA H H 8.497 0.000 1 1169 130 131 ALA HA H 4.362 0.000 1 1170 130 131 ALA HB H 1.676 0.000 1 1171 130 131 ALA C C 182.144 0.000 1 1172 130 131 ALA CA C 55.221 0.000 1 1173 130 131 ALA CB C 17.612 0.000 1 1174 130 131 ALA N N 123.200 0.000 1 1175 131 132 LYS H H 8.068 0.000 1 1176 131 132 LYS HA H 4.200 0.000 1 1177 131 132 LYS HB2 H 2.038 0.000 1 1178 131 132 LYS HB3 H 2.038 0.000 1 1179 131 132 LYS HG2 H 1.780 0.000 2 1180 131 132 LYS HG3 H 1.636 0.000 2 1181 131 132 LYS HD2 H 1.796 0.000 1 1182 131 132 LYS HD3 H 1.796 0.000 1 1183 131 132 LYS HE2 H 3.076 0.000 1 1184 131 132 LYS HE3 H 3.076 0.000 1 1185 131 132 LYS C C 177.226 0.000 1 1186 131 132 LYS CA C 59.011 0.000 1 1187 131 132 LYS CB C 32.008 0.000 1 1188 131 132 LYS CG C 25.198 0.000 1 1189 131 132 LYS CD C 29.217 0.000 1 1190 131 132 LYS CE C 42.097 0.000 1 1191 131 132 LYS N N 121.020 0.000 1 1192 132 133 ASN H H 7.420 0.000 1 1193 132 133 ASN HA H 5.071 0.000 1 1194 132 133 ASN HB2 H 3.118 0.000 2 1195 132 133 ASN HB3 H 2.669 0.000 2 1196 132 133 ASN HD21 H 7.425 0.000 1 1197 132 133 ASN HD22 H 6.915 0.000 1 1198 132 133 ASN C C 173.666 0.000 1 1199 132 133 ASN CA C 52.110 0.000 1 1200 132 133 ASN CB C 39.252 0.000 1 1201 132 133 ASN N N 116.321 0.000 1 1202 132 133 ASN ND2 N 112.773 0.000 1 1203 133 134 LYS H H 8.114 0.000 1 1204 133 134 LYS HA H 4.031 0.000 1 1205 133 134 LYS HB2 H 2.156 0.000 2 1206 133 134 LYS HB3 H 2.083 0.000 2 1207 133 134 LYS HG2 H 1.498 0.000 2 1208 133 134 LYS HG3 H 1.464 0.000 2 1209 133 134 LYS HD2 H 1.809 0.000 2 1210 133 134 LYS HD3 H 1.755 0.000 2 1211 133 134 LYS HE2 H 3.103 0.000 1 1212 133 134 LYS HE3 H 3.103 0.000 1 1213 133 134 LYS C C 175.411 0.000 1 1214 133 134 LYS CA C 57.150 0.000 1 1215 133 134 LYS CB C 28.504 0.000 1 1216 133 134 LYS CG C 25.062 0.000 1 1217 133 134 LYS CD C 29.030 0.000 1 1218 133 134 LYS CE C 42.202 0.000 1 1219 133 134 LYS N N 114.606 0.000 1 1220 134 135 GLN H H 8.114 0.000 1 1221 134 135 GLN HA H 4.852 0.000 1 1222 134 135 GLN HB2 H 2.125 0.000 2 1223 134 135 GLN HB3 H 2.084 0.000 2 1224 134 135 GLN HG2 H 2.497 0.000 2 1225 134 135 GLN HG3 H 2.451 0.000 2 1226 134 135 GLN HE21 H 7.461 0.000 1 1227 134 135 GLN HE22 H 6.815 0.000 1 1228 134 135 GLN C C 174.979 0.000 1 1229 134 135 GLN CA C 53.686 0.000 1 1230 134 135 GLN CB C 33.273 0.000 1 1231 134 135 GLN CG C 33.843 0.000 1 1232 134 135 GLN N N 116.636 0.000 1 1233 134 135 GLN NE2 N 110.711 0.000 1 1234 135 136 LYS H H 7.976 0.000 1 1235 135 136 LYS HA H 4.856 0.000 1 1236 135 136 LYS HB2 H 1.968 0.000 2 1237 135 136 LYS HB3 H 1.688 0.000 2 1238 135 136 LYS HG2 H 1.442 0.000 1 1239 135 136 LYS HG3 H 1.442 0.000 1 1240 135 136 LYS HD2 H 1.737 0.000 1 1241 135 136 LYS HD3 H 1.737 0.000 1 1242 135 136 LYS HE2 H 3.063 0.000 1 1243 135 136 LYS HE3 H 3.063 0.000 1 1244 135 136 LYS CA C 53.863 0.000 1 1245 135 136 LYS CB C 34.227 0.000 1 1246 135 136 LYS CG C 24.637 0.000 1 1247 135 136 LYS CD C 29.077 0.000 1 1248 135 136 LYS CE C 42.042 0.000 1 1249 135 136 LYS N N 119.304 0.000 1 1250 136 137 PRO HA H 4.492 0.000 1 1251 136 137 PRO HB2 H 2.099 0.000 1 1252 136 137 PRO HB3 H 2.099 0.000 1 1253 136 137 PRO HG2 H 2.298 0.000 1 1254 136 137 PRO HG3 H 2.298 0.000 1 1255 136 137 PRO HD2 H 3.773 0.000 1 1256 136 137 PRO HD3 H 3.773 0.000 1 1257 136 137 PRO C C 175.136 0.000 1 1258 136 137 PRO CA C 62.390 0.000 1 1259 136 137 PRO CB C 32.183 0.000 1 1260 136 137 PRO CG C 27.466 0.000 1 1261 136 137 PRO CD C 50.216 0.000 1 1262 137 138 ILE H H 9.134 0.000 1 1263 137 138 ILE HA H 3.990 0.000 1 1264 137 138 ILE HB H 1.927 0.000 1 1265 137 138 ILE HG12 H 1.289 0.000 2 1266 137 138 ILE HG13 H 0.985 0.000 2 1267 137 138 ILE HG2 H 0.343 0.000 1 1268 137 138 ILE HD1 H 0.543 0.000 1 1269 137 138 ILE C C 176.263 0.000 1 1270 137 138 ILE CA C 59.892 0.000 1 1271 137 138 ILE CB C 36.868 0.000 1 1272 137 138 ILE CG1 C 27.157 0.000 1 1273 137 138 ILE CG2 C 17.248 0.000 1 1274 137 138 ILE CD1 C 10.518 0.000 1 1275 137 138 ILE N N 122.850 0.000 1 1276 138 139 THR H H 7.989 0.000 1 1277 138 139 THR HA H 4.659 0.000 1 1278 138 139 THR HB H 4.765 0.000 1 1279 138 139 THR HG2 H 1.376 0.000 1 1280 138 139 THR CA C 59.044 0.000 1 1281 138 139 THR CB C 68.485 0.000 1 1282 138 139 THR CG2 C 22.267 0.000 1 1283 138 139 THR N N 119.063 0.000 1 1284 139 140 PRO HA H 4.178 0.000 1 1285 139 140 PRO HB2 H 2.572 0.000 2 1286 139 140 PRO HB3 H 2.031 0.000 2 1287 139 140 PRO HG2 H 2.287 0.000 1 1288 139 140 PRO HG3 H 2.287 0.000 1 1289 139 140 PRO HD2 H 3.906 0.000 2 1290 139 140 PRO HD3 H 3.826 0.000 2 1291 139 140 PRO C C 177.969 0.000 1 1292 139 140 PRO CA C 65.499 0.000 1 1293 139 140 PRO CB C 31.476 0.000 1 1294 139 140 PRO CG C 27.645 0.000 1 1295 140 141 GLU H H 8.568 0.000 1 1296 140 141 GLU HA H 4.068 0.000 1 1297 140 141 GLU HB2 H 2.114 0.000 2 1298 140 141 GLU HB3 H 1.978 0.000 2 1299 140 141 GLU HG2 H 2.410 0.000 2 1300 140 141 GLU HG3 H 2.372 0.000 2 1301 140 141 GLU C C 179.426 0.000 1 1302 140 141 GLU CA C 59.860 0.000 1 1303 140 141 GLU CB C 28.585 0.000 1 1304 140 141 GLU CG C 36.490 0.000 1 1305 140 141 GLU N N 115.364 0.000 1 1306 141 142 THR H H 7.586 0.000 1 1307 141 142 THR HA H 3.909 0.000 1 1308 141 142 THR HB H 4.117 0.000 1 1309 141 142 THR HG2 H 1.240 0.000 1 1310 141 142 THR C C 176.534 0.000 1 1311 141 142 THR CA C 65.967 0.000 1 1312 141 142 THR CB C 68.417 0.000 1 1313 141 142 THR CG2 C 22.171 0.000 1 1314 141 142 THR N N 118.890 0.000 1 1315 142 143 ALA H H 7.594 0.000 1 1316 142 143 ALA HA H 3.962 0.000 1 1317 142 143 ALA HB H 0.701 0.000 1 1318 142 143 ALA C C 178.531 0.000 1 1319 142 143 ALA CA C 55.174 0.000 1 1320 142 143 ALA CB C 16.985 0.000 1 1321 142 143 ALA N N 126.173 0.000 1 1322 143 144 GLU H H 8.788 0.000 1 1323 143 144 GLU HA H 3.831 0.000 1 1324 143 144 GLU HB2 H 2.207 0.000 2 1325 143 144 GLU HB3 H 2.042 0.000 2 1326 143 144 GLU HG2 H 2.599 0.000 2 1327 143 144 GLU HG3 H 2.456 0.000 2 1328 143 144 GLU C C 179.223 0.000 1 1329 143 144 GLU CA C 59.439 0.000 1 1330 143 144 GLU CB C 29.277 0.000 1 1331 143 144 GLU CG C 36.696 0.000 1 1332 143 144 GLU N N 118.628 0.000 1 1333 144 145 LYS H H 7.309 0.000 1 1334 144 145 LYS HA H 4.037 0.000 1 1335 144 145 LYS HB2 H 2.063 0.000 2 1336 144 145 LYS HB3 H 1.964 0.000 2 1337 144 145 LYS HG2 H 1.615 0.000 1 1338 144 145 LYS HG3 H 1.615 0.000 1 1339 144 145 LYS HE2 H 3.078 0.000 1 1340 144 145 LYS HE3 H 3.078 0.000 1 1341 144 145 LYS C C 177.904 0.000 1 1342 144 145 LYS CA C 59.377 0.000 1 1343 144 145 LYS CB C 31.839 0.000 1 1344 144 145 LYS CG C 25.064 0.000 1 1345 144 145 LYS CE C 42.155 0.000 1 1346 144 145 LYS N N 119.553 0.000 1 1347 145 146 LEU H H 7.314 0.000 1 1348 145 146 LEU HA H 4.228 0.000 1 1349 145 146 LEU HB2 H 1.851 0.000 2 1350 145 146 LEU HB3 H 1.571 0.000 2 1351 145 146 LEU HG H 1.447 0.000 1 1352 145 146 LEU HD1 H 0.161 0.000 2 1353 145 146 LEU HD2 H 0.842 0.000 2 1354 145 146 LEU C C 178.316 0.000 1 1355 145 146 LEU CA C 57.743 0.000 1 1356 145 146 LEU CB C 40.504 0.000 1 1357 145 146 LEU CG C 26.654 0.000 1 1358 145 146 LEU CD1 C 25.789 0.000 2 1359 145 146 LEU CD2 C 23.154 0.000 2 1360 145 146 LEU N N 120.326 0.000 1 1361 146 147 ALA H H 8.484 0.000 1 1362 146 147 ALA HA H 3.798 0.000 1 1363 146 147 ALA HB H 1.521 0.000 1 1364 146 147 ALA C C 178.701 0.000 1 1365 146 147 ALA CA C 55.450 0.000 1 1366 146 147 ALA CB C 18.063 0.000 1 1367 146 147 ALA N N 119.550 0.000 1 1368 147 148 ARG H H 7.726 0.000 1 1369 147 148 ARG HA H 4.237 0.000 1 1370 147 148 ARG HB2 H 2.028 0.000 1 1371 147 148 ARG HB3 H 2.028 0.000 1 1372 147 148 ARG HG2 H 1.934 0.000 2 1373 147 148 ARG HG3 H 1.697 0.000 2 1374 147 148 ARG HD2 H 3.358 0.000 2 1375 147 148 ARG HD3 H 3.272 0.000 2 1376 147 148 ARG C C 180.279 0.000 1 1377 147 148 ARG CA C 58.901 0.000 1 1378 147 148 ARG CB C 30.000 0.000 1 1379 147 148 ARG CG C 27.395 0.000 1 1380 147 148 ARG CD C 43.423 0.000 1 1381 147 148 ARG N N 116.722 0.000 1 1382 148 149 ASP H H 8.441 0.000 1 1383 148 149 ASP HA H 4.421 0.000 1 1384 148 149 ASP HB2 H 2.924 0.000 2 1385 148 149 ASP HB3 H 2.732 0.000 2 1386 148 149 ASP C C 178.339 0.000 1 1387 148 149 ASP CA C 57.356 0.000 1 1388 148 149 ASP CB C 40.201 0.000 1 1389 148 149 ASP N N 122.584 0.000 1 1390 149 150 LEU H H 8.363 0.000 1 1391 149 150 LEU HA H 4.445 0.000 1 1392 149 150 LEU HB2 H 1.967 0.000 2 1393 149 150 LEU HB3 H 1.853 0.000 2 1394 149 150 LEU HG H 1.981 0.000 1 1395 149 150 LEU HD1 H 0.805 0.000 2 1396 149 150 LEU HD2 H 0.877 0.000 2 1397 149 150 LEU C C 175.131 0.000 1 1398 149 150 LEU CA C 54.262 0.000 1 1399 149 150 LEU CB C 41.740 0.000 1 1400 149 150 LEU CG C 25.911 0.000 1 1401 149 150 LEU CD1 C 27.032 0.000 2 1402 149 150 LEU CD2 C 21.773 0.000 2 1403 149 150 LEU N N 115.962 0.000 1 1404 150 151 LYS H H 7.640 0.000 1 1405 150 151 LYS HA H 3.844 0.000 1 1406 150 151 LYS HB2 H 2.324 0.000 2 1407 150 151 LYS HB3 H 1.937 0.000 2 1408 150 151 LYS HG2 H 1.427 0.000 1 1409 150 151 LYS HG3 H 1.427 0.000 1 1410 150 151 LYS HD2 H 1.825 0.000 2 1411 150 151 LYS HD3 H 1.775 0.000 2 1412 150 151 LYS HE2 H 3.105 0.000 1 1413 150 151 LYS HE3 H 3.105 0.000 1 1414 150 151 LYS C C 177.157 0.000 1 1415 150 151 LYS CA C 57.248 0.000 1 1416 150 151 LYS CB C 27.986 0.000 1 1417 150 151 LYS CG C 24.754 0.000 1 1418 150 151 LYS CD C 28.969 0.000 1 1419 150 151 LYS CE C 42.260 0.000 1 1420 150 151 LYS N N 112.441 0.000 1 1421 151 152 ALA H H 8.259 0.000 1 1422 151 152 ALA HA H 3.098 0.000 1 1423 151 152 ALA HB H 1.169 0.000 1 1424 151 152 ALA C C 178.007 0.000 1 1425 151 152 ALA CA C 51.163 0.000 1 1426 151 152 ALA CB C 20.055 0.000 1 1427 151 152 ALA N N 120.312 0.000 1 1428 152 153 VAL H H 8.712 0.000 1 1429 152 153 VAL HA H 3.566 0.000 1 1430 152 153 VAL HB H 1.719 0.000 1 1431 152 153 VAL HG1 H 0.978 0.000 2 1432 152 153 VAL HG2 H 1.094 0.000 2 1433 152 153 VAL C C 176.382 0.000 1 1434 152 153 VAL CA C 65.960 0.000 1 1435 152 153 VAL CB C 32.572 0.000 1 1436 152 153 VAL CG1 C 21.279 0.000 2 1437 152 153 VAL CG2 C 22.775 0.000 2 1438 152 153 VAL N N 121.278 0.000 1 1439 153 154 LYS H H 6.890 0.000 1 1440 153 154 LYS HA H 4.425 0.000 1 1441 153 154 LYS HB2 H 2.078 0.000 2 1442 153 154 LYS HB3 H 1.768 0.000 2 1443 153 154 LYS HG2 H 1.269 0.000 1 1444 153 154 LYS HG3 H 1.269 0.000 1 1445 153 154 LYS HD2 H 1.544 0.000 1 1446 153 154 LYS HD3 H 1.544 0.000 1 1447 153 154 LYS HE2 H 2.941 0.000 2 1448 153 154 LYS HE3 H 2.863 0.000 2 1449 153 154 LYS C C 173.079 0.000 1 1450 153 154 LYS CA C 54.868 0.000 1 1451 153 154 LYS CB C 34.457 0.000 1 1452 153 154 LYS CG C 23.586 0.000 1 1453 153 154 LYS CD C 28.585 0.000 1 1454 153 154 LYS CE C 41.291 0.000 1 1455 153 154 LYS N N 109.092 0.000 1 1456 154 155 TYR H H 8.608 0.000 1 1457 154 155 TYR HA H 5.870 0.000 1 1458 154 155 TYR HB2 H 2.817 0.000 1 1459 154 155 TYR HB3 H 2.817 0.000 1 1460 154 155 TYR HD1 H 7.077 0.000 1 1461 154 155 TYR HD2 H 7.077 0.000 1 1462 154 155 TYR HE1 H 6.849 0.000 1 1463 154 155 TYR HE2 H 6.849 0.000 1 1464 154 155 TYR C C 174.296 0.000 1 1465 154 155 TYR CA C 55.839 0.000 1 1466 154 155 TYR CB C 40.332 0.000 1 1467 154 155 TYR CD1 C 132.947 0.000 1 1468 154 155 TYR CD2 C 132.947 0.000 1 1469 154 155 TYR CE1 C 117.881 0.000 1 1470 154 155 TYR CE2 C 117.881 0.000 1 1471 154 155 TYR N N 120.979 0.000 1 1472 155 156 VAL H H 8.269 0.000 1 1473 155 156 VAL HA H 4.202 0.000 1 1474 155 156 VAL HB H 2.028 0.000 1 1475 155 156 VAL HG1 H 0.670 0.000 2 1476 155 156 VAL HG2 H 0.712 0.000 2 1477 155 156 VAL C C 171.776 0.000 1 1478 155 156 VAL CA C 58.245 0.000 1 1479 155 156 VAL CB C 34.944 0.000 1 1480 155 156 VAL CG1 C 21.201 0.000 2 1481 155 156 VAL CG2 C 22.684 0.000 2 1482 155 156 VAL N N 122.147 0.000 1 1483 156 157 GLU H H 8.037 0.000 1 1484 156 157 GLU HA H 5.472 0.000 1 1485 156 157 GLU HB2 H 2.055 0.000 1 1486 156 157 GLU HB3 H 2.055 0.000 1 1487 156 157 GLU HG2 H 2.282 0.000 2 1488 156 157 GLU HG3 H 1.913 0.000 2 1489 156 157 GLU C C 175.922 0.000 1 1490 156 157 GLU CA C 53.630 0.000 1 1491 156 157 GLU CB C 31.714 0.000 1 1492 156 157 GLU CG C 34.224 0.000 1 1493 156 157 GLU N N 113.804 0.000 1 1494 157 158 CYS H H 8.836 0.000 1 1495 157 158 CYS HA H 5.431 0.000 1 1496 157 158 CYS HB2 H 2.861 0.000 2 1497 157 158 CYS HB3 H 2.454 0.000 2 1498 157 158 CYS C C 171.757 0.000 1 1499 157 158 CYS CA C 55.645 0.000 1 1500 157 158 CYS CB C 32.264 0.000 1 1501 157 158 CYS N N 112.557 0.000 1 1502 158 159 SER H H 8.279 0.000 1 1503 158 159 SER HA H 5.305 0.000 1 1504 158 159 SER HB2 H 4.097 0.000 1 1505 158 159 SER HB3 H 4.097 0.000 1 1506 158 159 SER C C 176.395 0.000 1 1507 158 159 SER CA C 55.748 0.000 1 1508 158 159 SER CB C 64.874 0.000 1 1509 158 159 SER N N 110.882 0.000 1 1510 159 160 ALA H H 9.310 0.000 1 1511 159 160 ALA HA H 4.288 0.000 1 1512 159 160 ALA HB H 1.824 0.000 1 1513 159 160 ALA C C 177.157 0.000 1 1514 159 160 ALA CA C 54.409 0.000 1 1515 159 160 ALA CB C 19.319 0.000 1 1516 159 160 ALA N N 132.887 0.000 1 1517 160 161 LEU H H 7.396 0.000 1 1518 160 161 LEU HA H 3.375 0.000 1 1519 160 161 LEU HB2 H 1.217 0.000 2 1520 160 161 LEU HB3 H 0.273 0.000 2 1521 160 161 LEU HG H 0.932 0.000 1 1522 160 161 LEU HD1 H 0.056 0.000 2 1523 160 161 LEU HD2 H 0.587 0.000 2 1524 160 161 LEU C C 177.761 0.000 1 1525 160 161 LEU CA C 57.421 0.000 1 1526 160 161 LEU CB C 43.111 0.000 1 1527 160 161 LEU CG C 26.381 0.000 1 1528 160 161 LEU CD1 C 22.942 0.000 2 1529 160 161 LEU CD2 C 25.582 0.000 2 1530 160 161 LEU N N 119.139 0.000 1 1531 161 162 THR H H 8.090 0.000 1 1532 161 162 THR HA H 4.317 0.000 1 1533 161 162 THR HB H 4.531 0.000 1 1534 161 162 THR HG2 H 1.204 0.000 1 1535 161 162 THR C C 176.144 0.000 1 1536 161 162 THR CA C 61.271 0.000 1 1537 161 162 THR CB C 69.675 0.000 1 1538 161 162 THR CG2 C 21.484 0.000 1 1539 161 162 THR N N 106.904 0.000 1 1540 162 163 GLN H H 7.453 0.000 1 1541 162 163 GLN HA H 4.019 0.000 1 1542 162 163 GLN HB2 H 2.714 0.000 2 1543 162 163 GLN HB3 H 2.369 0.000 2 1544 162 163 GLN HG2 H 2.270 0.000 2 1545 162 163 GLN HG3 H 2.184 0.000 2 1546 162 163 GLN HE21 H 7.224 0.000 1 1547 162 163 GLN HE22 H 6.549 0.000 1 1548 162 163 GLN C C 175.087 0.000 1 1549 162 163 GLN CA C 58.948 0.000 1 1550 162 163 GLN CB C 25.729 0.000 1 1551 162 163 GLN CG C 34.450 0.000 1 1552 162 163 GLN N N 113.350 0.000 1 1553 162 163 GLN NE2 N 111.826 0.000 1 1554 163 164 LYS H H 7.833 0.000 1 1555 163 164 LYS HA H 4.249 0.000 1 1556 163 164 LYS HB2 H 1.840 0.000 2 1557 163 164 LYS HB3 H 1.664 0.000 2 1558 163 164 LYS HG2 H 1.471 0.000 1 1559 163 164 LYS HG3 H 1.471 0.000 1 1560 163 164 LYS HE2 H 3.013 0.000 1 1561 163 164 LYS HE3 H 3.013 0.000 1 1562 163 164 LYS C C 177.435 0.000 1 1563 163 164 LYS CA C 57.986 0.000 1 1564 163 164 LYS CB C 32.109 0.000 1 1565 163 164 LYS CE C 42.023 0.000 1 1566 163 164 LYS N N 124.749 0.000 1 1567 164 165 GLY H H 9.141 0.000 1 1568 164 165 GLY HA2 H 4.397 0.000 2 1569 164 165 GLY HA3 H 3.951 0.000 2 1570 164 165 GLY C C 174.939 0.000 1 1571 164 165 GLY CA C 46.181 0.000 1 1572 164 165 GLY N N 115.070 0.000 1 1573 165 166 LEU H H 7.414 0.000 1 1574 165 166 LEU HA H 3.862 0.000 1 1575 165 166 LEU HB2 H 2.103 0.000 2 1576 165 166 LEU HB3 H 1.262 0.000 2 1577 165 166 LEU HG H 1.772 0.000 1 1578 165 166 LEU HD1 H 1.136 0.000 2 1579 165 166 LEU HD2 H 1.213 0.000 2 1580 165 166 LEU C C 176.852 0.000 1 1581 165 166 LEU CA C 58.654 0.000 1 1582 165 166 LEU CB C 43.455 0.000 1 1583 165 166 LEU CG C 27.006 0.000 1 1584 165 166 LEU CD1 C 26.255 0.000 2 1585 165 166 LEU CD2 C 25.479 0.000 2 1586 165 166 LEU N N 121.732 0.000 1 1587 166 167 LYS H H 8.571 0.000 1 1588 166 167 LYS HA H 4.208 0.000 1 1589 166 167 LYS HB2 H 2.139 0.000 2 1590 166 167 LYS HB3 H 2.039 0.000 2 1591 166 167 LYS HG2 H 1.829 0.000 2 1592 166 167 LYS HG3 H 1.698 0.000 2 1593 166 167 LYS HD2 H 1.916 0.000 2 1594 166 167 LYS HD3 H 1.828 0.000 2 1595 166 167 LYS HE2 H 3.217 0.000 1 1596 166 167 LYS HE3 H 3.217 0.000 1 1597 166 167 LYS C C 179.199 0.000 1 1598 166 167 LYS CA C 60.091 0.000 1 1599 166 167 LYS CB C 32.023 0.000 1 1600 166 167 LYS CG C 25.182 0.000 1 1601 166 167 LYS CD C 29.675 0.000 1 1602 166 167 LYS CE C 42.166 0.000 1 1603 166 167 LYS N N 117.434 0.000 1 1604 167 168 ASN H H 8.113 0.000 1 1605 167 168 ASN HA H 4.429 0.000 1 1606 167 168 ASN HB2 H 2.756 0.000 1 1607 167 168 ASN HB3 H 2.756 0.000 1 1608 167 168 ASN HD21 H 7.974 0.000 1 1609 167 168 ASN HD22 H 7.295 0.000 1 1610 167 168 ASN C C 175.774 0.000 1 1611 167 168 ASN CA C 56.545 0.000 1 1612 167 168 ASN CB C 38.680 0.000 1 1613 167 168 ASN N N 115.501 0.000 1 1614 167 168 ASN ND2 N 114.356 0.000 1 1615 168 169 VAL H H 7.357 0.000 1 1616 168 169 VAL HA H 2.980 0.000 1 1617 168 169 VAL HB H 1.874 0.000 1 1618 168 169 VAL HG1 H -0.069 0.000 2 1619 168 169 VAL HG2 H 0.857 0.000 2 1620 168 169 VAL C C 175.911 0.000 1 1621 168 169 VAL CA C 66.957 0.000 1 1622 168 169 VAL CB C 31.047 0.000 1 1623 168 169 VAL CG1 C 20.942 0.000 2 1624 168 169 VAL CG2 C 21.504 0.000 2 1625 168 169 VAL N N 117.716 0.000 1 1626 169 170 PHE H H 6.389 0.000 1 1627 169 170 PHE HA H 3.822 0.000 1 1628 169 170 PHE HB2 H 2.772 0.000 2 1629 169 170 PHE HB3 H 2.418 0.000 2 1630 169 170 PHE HD1 H 6.619 0.000 1 1631 169 170 PHE HD2 H 6.619 0.000 1 1632 169 170 PHE HE1 H 6.731 0.000 1 1633 169 170 PHE HE2 H 6.731 0.000 1 1634 169 170 PHE HZ H 6.639 0.000 1 1635 169 170 PHE C C 177.216 0.000 1 1636 169 170 PHE CA C 61.940 0.000 1 1637 169 170 PHE CB C 38.923 0.000 1 1638 169 170 PHE CD1 C 130.495 0.000 1 1639 169 170 PHE CD2 C 130.495 0.000 1 1640 169 170 PHE CE1 C 130.305 0.000 1 1641 169 170 PHE CE2 C 130.305 0.000 1 1642 169 170 PHE CZ C 126.876 0.000 1 1643 169 170 PHE N N 114.762 0.000 1 1644 170 171 ASP H H 7.968 0.000 1 1645 170 171 ASP HA H 4.416 0.000 1 1646 170 171 ASP HB2 H 2.757 0.000 2 1647 170 171 ASP HB3 H 2.657 0.000 2 1648 170 171 ASP C C 178.851 0.000 1 1649 170 171 ASP CA C 57.559 0.000 1 1650 170 171 ASP CB C 39.717 0.000 1 1651 170 171 ASP N N 121.420 0.000 1 1652 171 172 GLU H H 8.054 0.000 1 1653 171 172 GLU HA H 4.078 0.000 1 1654 171 172 GLU HB2 H 1.824 0.000 1 1655 171 172 GLU HB3 H 1.824 0.000 1 1656 171 172 GLU HG2 H 2.069 0.000 1 1657 171 172 GLU HG3 H 2.069 0.000 1 1658 171 172 GLU C C 179.492 0.000 1 1659 171 172 GLU CA C 57.898 0.000 1 1660 171 172 GLU CB C 27.732 0.000 1 1661 171 172 GLU CG C 34.963 0.000 1 1662 171 172 GLU N N 116.463 0.000 1 1663 172 173 ALA H H 7.976 0.000 1 1664 172 173 ALA HA H 3.834 0.000 1 1665 172 173 ALA HB H 1.432 0.000 1 1666 172 173 ALA C C 178.101 0.000 1 1667 172 173 ALA CA C 55.301 0.000 1 1668 172 173 ALA CB C 17.528 0.000 1 1669 172 173 ALA N N 124.472 0.000 1 1670 173 174 ILE H H 7.696 0.000 1 1671 173 174 ILE HA H 3.400 0.000 1 1672 173 174 ILE HB H 1.894 0.000 1 1673 173 174 ILE HG12 H 1.935 0.000 2 1674 173 174 ILE HG13 H 0.873 0.000 2 1675 173 174 ILE HG2 H 0.495 0.000 1 1676 173 174 ILE HD1 H 0.946 0.000 1 1677 173 174 ILE C C 177.220 0.000 1 1678 173 174 ILE CA C 65.651 0.000 1 1679 173 174 ILE CB C 37.385 0.000 1 1680 173 174 ILE CG1 C 30.013 0.000 1 1681 173 174 ILE CG2 C 17.083 0.000 1 1682 173 174 ILE CD1 C 13.934 0.000 1 1683 173 174 ILE N N 116.880 0.000 1 1684 174 175 LEU H H 7.643 0.000 1 1685 174 175 LEU HA H 3.854 0.000 1 1686 174 175 LEU HB2 H 1.804 0.000 2 1687 174 175 LEU HB3 H 1.473 0.000 2 1688 174 175 LEU HG H 1.754 0.000 1 1689 174 175 LEU HD1 H 0.818 0.000 2 1690 174 175 LEU HD2 H 0.824 0.000 2 1691 174 175 LEU C C 179.832 0.000 1 1692 174 175 LEU CA C 57.900 0.000 1 1693 174 175 LEU CB C 40.989 0.000 1 1694 174 175 LEU CG C 26.733 0.000 1 1695 174 175 LEU CD1 C 22.563 0.000 2 1696 174 175 LEU CD2 C 24.807 0.000 2 1697 174 175 LEU N N 117.313 0.000 1 1698 175 176 ALA H H 7.913 0.000 1 1699 175 176 ALA HA H 4.117 0.000 1 1700 175 176 ALA HB H 1.434 0.000 1 1701 175 176 ALA C C 178.420 0.000 1 1702 175 176 ALA CA C 53.809 0.000 1 1703 175 176 ALA CB C 18.834 0.000 1 1704 175 176 ALA N N 119.497 0.000 1 1705 176 177 ALA H H 7.643 0.000 1 1706 176 177 ALA HA H 4.103 0.000 1 1707 176 177 ALA HB H 1.392 0.000 1 1708 176 177 ALA C C 178.674 0.000 1 1709 176 177 ALA CA C 53.323 0.000 1 1710 176 177 ALA CB C 19.624 0.000 1 1711 176 177 ALA N N 117.749 0.000 1 1712 177 178 LEU H H 7.478 0.000 1 1713 177 178 LEU HA H 4.283 0.000 1 1714 177 178 LEU HB2 H 1.730 0.000 2 1715 177 178 LEU HB3 H 1.560 0.000 2 1716 177 178 LEU HG H 1.831 0.000 1 1717 177 178 LEU HD1 H 0.569 0.000 2 1718 177 178 LEU HD2 H 0.714 0.000 2 1719 177 178 LEU C C 177.362 0.000 1 1720 177 178 LEU CA C 55.057 0.000 1 1721 177 178 LEU CB C 42.521 0.000 1 1722 177 178 LEU CG C 25.849 0.000 1 1723 177 178 LEU CD1 C 25.199 0.000 2 1724 177 178 LEU CD2 C 21.961 0.000 2 1725 177 178 LEU N N 115.979 0.000 1 1726 178 179 GLU H H 7.651 0.000 1 1727 178 179 GLU HA H 4.657 0.000 1 1728 178 179 GLU HB2 H 2.090 0.000 2 1729 178 179 GLU HB3 H 2.010 0.000 2 1730 178 179 GLU HG2 H 2.405 0.000 1 1731 178 179 GLU HG3 H 2.405 0.000 1 1732 178 179 GLU CA C 54.147 0.000 1 1733 178 179 GLU CB C 29.206 0.000 1 1734 178 179 GLU CG C 35.651 0.000 1 1735 178 179 GLU N N 121.119 0.000 1 1736 179 180 PRO HA H 4.801 0.000 1 1737 179 180 PRO HB2 H 2.431 0.000 2 1738 179 180 PRO HB3 H 2.037 0.000 2 1739 179 180 PRO HG2 H 2.127 0.000 1 1740 179 180 PRO HG3 H 2.127 0.000 1 1741 179 180 PRO HD2 H 3.848 0.000 2 1742 179 180 PRO HD3 H 3.698 0.000 2 1743 179 180 PRO CA C 61.457 0.000 1 1744 179 180 PRO CB C 30.802 0.000 1 1745 179 180 PRO CG C 27.263 0.000 1 1746 179 180 PRO CD C 50.322 0.000 1 1747 180 181 PRO HA H 4.529 0.000 1 1748 180 181 PRO HB2 H 2.374 0.000 2 1749 180 181 PRO HB3 H 1.992 0.000 2 1750 180 181 PRO HG2 H 2.123 0.000 1 1751 180 181 PRO HG3 H 2.123 0.000 1 1752 180 181 PRO HD2 H 3.922 0.000 2 1753 180 181 PRO HD3 H 3.760 0.000 2 1754 180 181 PRO C C 176.676 0.000 1 1755 180 181 PRO CA C 62.866 0.000 1 1756 180 181 PRO CB C 31.854 0.000 1 1757 180 181 PRO CG C 27.315 0.000 1 1758 180 181 PRO CD C 50.260 0.000 1 1759 181 182 GLU H H 8.252 0.000 1 1760 181 182 GLU HA H 4.653 0.000 1 1761 181 182 GLU HB2 H 2.081 0.000 2 1762 181 182 GLU HB3 H 2.014 0.000 2 1763 181 182 GLU HG2 H 2.357 0.000 1 1764 181 182 GLU HG3 H 2.357 0.000 1 1765 181 182 GLU CA C 53.920 0.000 1 1766 181 182 GLU CB C 29.868 0.000 1 1767 181 182 GLU CG C 35.647 0.000 1 1768 181 182 GLU N N 121.517 0.000 1 1769 182 183 PRO HA H 4.478 0.000 1 1770 182 183 PRO HB2 H 2.365 0.000 2 1771 182 183 PRO HB3 H 1.964 0.000 2 1772 182 183 PRO HG2 H 2.092 0.000 1 1773 182 183 PRO HG3 H 2.092 0.000 1 1774 182 183 PRO HD2 H 3.911 0.000 2 1775 182 183 PRO HD3 H 3.752 0.000 2 1776 182 183 PRO C C 176.662 0.000 1 1777 182 183 PRO CA C 62.914 0.000 1 1778 182 183 PRO CB C 31.978 0.000 1 1779 182 183 PRO CG C 27.228 0.000 1 1780 182 183 PRO CD C 50.526 0.000 1 1781 183 184 LYS H H 8.418 0.000 1 1782 183 184 LYS HA H 4.360 0.000 1 1783 183 184 LYS HB2 H 1.931 0.000 2 1784 183 184 LYS HB3 H 1.843 0.000 2 1785 183 184 LYS HG2 H 1.551 0.000 1 1786 183 184 LYS HG3 H 1.551 0.000 1 1787 183 184 LYS HD2 H 1.768 0.000 1 1788 183 184 LYS HD3 H 1.768 0.000 1 1789 183 184 LYS HE2 H 3.087 0.000 1 1790 183 184 LYS HE3 H 3.087 0.000 1 1791 183 184 LYS C C 175.695 0.000 1 1792 183 184 LYS CA C 56.160 0.000 1 1793 183 184 LYS CB C 32.809 0.000 1 1794 183 184 LYS CG C 24.540 0.000 1 1795 183 184 LYS CD C 28.937 0.000 1 1796 183 184 LYS CE C 42.081 0.000 1 1797 183 184 LYS N N 122.578 0.000 1 1798 184 185 LYS H H 8.241 0.000 1 1799 184 185 LYS HA H 4.220 0.000 1 1800 184 185 LYS HB2 H 1.889 0.000 2 1801 184 185 LYS HB3 H 1.769 0.000 2 1802 184 185 LYS HG2 H 1.461 0.000 1 1803 184 185 LYS HG3 H 1.461 0.000 1 1804 184 185 LYS HD2 H 1.754 0.000 1 1805 184 185 LYS HD3 H 1.754 0.000 1 1806 184 185 LYS HE2 H 3.066 0.000 1 1807 184 185 LYS HE3 H 3.066 0.000 1 1808 184 185 LYS C C 175.813 0.000 1 1809 184 185 LYS CG C 24.587 0.000 1 1810 184 185 LYS CD C 29.140 0.000 1 1811 184 185 LYS CE C 42.085 0.000 1 1812 184 185 LYS N N 125.731 0.000 1 stop_ save_