data_17853 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and sidechain 1H 13C and 15N chemical shift assignement of the catalytic domain from ; _BMRB_accession_number 17853 _BMRB_flat_file_name bmr17853.str _Entry_type original _Submission_date 2011-08-10 _Accession_date 2011-08-10 _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 Sauve Simon . . 2 Aubin Yves . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 708 "13C chemical shifts" 663 "15N chemical shifts" 193 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-01-17 update BMRB 'update entry citation' 2012-01-18 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone and side chain 1H, 13C and 15N resonance assignments of the catalytic domain of diphtheria toxin.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22205447 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sauve Simon . . 2 Gingras Genevieve . . 3 Aubin Yves . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 6 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 189 _Page_last 192 _Year 2012 _Details . loop_ _Keyword 'Catalytic domain' 'Diphtheria toxin' DTA stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name DTA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label DTA $DTA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_DTA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common DTA _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 205 _Mol_residue_sequence ; GADDVVDSSKSFVMENFSSY HGTKPGYVDSIQKGIQKPKS GTQGNYDDDWKGFYSTDNKY DAAGYSVDNENPLSGKAGGV VKVTYPGLTKVLALKVDNAE TIKKELGLSLTEPLMEQVGT EEFIKRFGDGASRVVLSLPF AEGSSSVEYINNWEQAKALS VELEINFETRGKRGQDAMYE YMAQACAGNRVRRSVGSSLS CINLD ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 ASP 4 ASP 5 VAL 6 VAL 7 ASP 8 SER 9 SER 10 LYS 11 SER 12 PHE 13 VAL 14 MET 15 GLU 16 ASN 17 PHE 18 SER 19 SER 20 TYR 21 HIS 22 GLY 23 THR 24 LYS 25 PRO 26 GLY 27 TYR 28 VAL 29 ASP 30 SER 31 ILE 32 GLN 33 LYS 34 GLY 35 ILE 36 GLN 37 LYS 38 PRO 39 LYS 40 SER 41 GLY 42 THR 43 GLN 44 GLY 45 ASN 46 TYR 47 ASP 48 ASP 49 ASP 50 TRP 51 LYS 52 GLY 53 PHE 54 TYR 55 SER 56 THR 57 ASP 58 ASN 59 LYS 60 TYR 61 ASP 62 ALA 63 ALA 64 GLY 65 TYR 66 SER 67 VAL 68 ASP 69 ASN 70 GLU 71 ASN 72 PRO 73 LEU 74 SER 75 GLY 76 LYS 77 ALA 78 GLY 79 GLY 80 VAL 81 VAL 82 LYS 83 VAL 84 THR 85 TYR 86 PRO 87 GLY 88 LEU 89 THR 90 LYS 91 VAL 92 LEU 93 ALA 94 LEU 95 LYS 96 VAL 97 ASP 98 ASN 99 ALA 100 GLU 101 THR 102 ILE 103 LYS 104 LYS 105 GLU 106 LEU 107 GLY 108 LEU 109 SER 110 LEU 111 THR 112 GLU 113 PRO 114 LEU 115 MET 116 GLU 117 GLN 118 VAL 119 GLY 120 THR 121 GLU 122 GLU 123 PHE 124 ILE 125 LYS 126 ARG 127 PHE 128 GLY 129 ASP 130 GLY 131 ALA 132 SER 133 ARG 134 VAL 135 VAL 136 LEU 137 SER 138 LEU 139 PRO 140 PHE 141 ALA 142 GLU 143 GLY 144 SER 145 SER 146 SER 147 VAL 148 GLU 149 TYR 150 ILE 151 ASN 152 ASN 153 TRP 154 GLU 155 GLN 156 ALA 157 LYS 158 ALA 159 LEU 160 SER 161 VAL 162 GLU 163 LEU 164 GLU 165 ILE 166 ASN 167 PHE 168 GLU 169 THR 170 ARG 171 GLY 172 LYS 173 ARG 174 GLY 175 GLN 176 ASP 177 ALA 178 MET 179 TYR 180 GLU 181 TYR 182 MET 183 ALA 184 GLN 185 ALA 186 CYS 187 ALA 188 GLY 189 ASN 190 ARG 191 VAL 192 ARG 193 ARG 194 SER 195 VAL 196 GLY 197 SER 198 SER 199 LEU 200 SER 201 CYS 202 ILE 203 ASN 204 LEU 205 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1DDT "The Refined Structure Of Dimeric Diphtheria Toxin At 2.0 Angstroms Resolution" 100.00 535 100.00 100.00 2.06e-144 PDB 1DTP "The Structure Of The Isolated Catalytic Domain Of Diphtheria Toxin" 92.68 190 100.00 100.00 7.18e-136 PDB 1F0L "1.55 Angstrom Crystal Structure Of Wild Type Diphtheria Toxin" 100.00 535 100.00 100.00 2.06e-144 PDB 1MDT "The Refined Structure Of Monomeric Diphtheria Toxin At 2.3 Angstroms Resolution" 100.00 535 100.00 100.00 2.06e-144 PDB 1SGK "Nucleotide-Free Diphtheria Toxin" 100.00 535 100.00 100.00 2.06e-144 PDB 1TOX "Diphtheria Toxin Dimer Complexed With Nad" 100.00 535 100.00 100.00 2.06e-144 PDB 1XDT "Complex Of Diphtheria Toxin And Heparin-Binding Epidermal Growth Factor" 100.00 535 100.00 100.00 2.06e-144 PDB 4AE0 "Crystal Structure Of Diphtheria Toxin Mutant Crm197" 100.00 535 99.51 99.51 3.91e-143 PDB 4AE1 "Crystal Structure Of Diphtheria Toxin Mutant Crm197 In Complex With Nicotinamide" 100.00 535 99.51 99.51 3.91e-143 PDB 4OW6 "Crystal Structure Of Diphtheria Toxin At Acidic Ph" 100.00 535 100.00 100.00 2.06e-144 DBJ BAB03348 "diphtheria toxin [Corynephage beta]" 100.00 535 99.02 99.51 1.21e-142 DBJ BAG06867 "diphtheria toxin [Corynebacterium ulcerans] [Corynebacterium ulcerans 0102]" 100.00 560 98.05 99.02 3.67e-142 DBJ BAG06868 "diphtheria toxin [Corynebacterium ulcerans]" 100.00 560 98.05 99.02 3.67e-142 DBJ BAG06869 "diphtheria toxin [Corynebacterium ulcerans]" 100.00 560 98.54 100.00 4.19e-143 DBJ BAH57338 "diphtheria toxin [Corynebacterium ulcerans]" 100.00 560 98.54 100.00 4.19e-143 EMBL CAA24778 "diphtheria toxin [Corynephage omega]" 100.00 560 100.00 100.00 2.90e-144 EMBL CAA25302 "diphtheria toxin [Corynebacterium diphtheriae phage]" 100.00 560 100.00 100.00 2.90e-144 EMBL CAE11230 "diphteria toxin, partial [Corynebacterium diphtheriae]" 100.00 538 100.00 100.00 2.16e-144 EMBL CAE48728 "Diphtheria toxin precursor [Corynebacterium diphtheriae]" 100.00 560 100.00 100.00 2.90e-144 GB AAA32182 "diphtheria toxin (gtg start codon) [Corynephage beta]" 100.00 560 100.00 100.00 2.90e-144 GB AAA32183 "diphtheria toxin CRM228 (gtg start codon) [Corynephage beta]" 100.00 560 98.54 99.02 6.53e-142 GB AAA72358 "fusion protein [synthetic construct]" 98.54 461 100.00 100.00 1.62e-143 GB AAA72359 "fusion protein [synthetic construct]" 100.00 521 100.00 100.00 2.46e-145 GB AAA72360 "fusion protein [synthetic construct]" 100.00 521 100.00 100.00 1.75e-145 PIR DOCGA "NAD-diphthamide ADP-ribosyltransferase (EC 2.4.2.36) precursor - corynephage beta" 100.00 560 100.00 100.00 2.90e-144 PRF 1007216A "toxin CRM197 [Corynebacterium diphtheriae]" 100.00 535 99.51 99.51 3.91e-143 PRF 1007216B "toxin CRM45 [Corynebacterium diphtheriae]" 100.00 386 99.51 99.51 8.62e-146 PRF 1305345A "toxin A mutant,diphteria [Corynebacterium diphtheriae]" 93.66 193 99.48 99.48 1.11e-136 PRF 760286A "toxin act fragment,diphteria [Corynebacterium diphtheriae]" 94.15 193 98.45 98.45 1.21e-135 REF WP_003850266 "toxin [Corynebacterium diphtheriae]" 100.00 560 100.00 100.00 2.90e-144 REF WP_014835773 "toxin [Corynebacterium ulcerans]" 100.00 560 98.05 99.02 3.67e-142 REF WP_029975703 "toxin [Corynebacterium ulcerans]" 100.00 560 98.05 99.02 3.52e-142 REF WP_038617330 "toxin [Corynebacterium ulcerans]" 100.00 560 98.54 99.51 6.40e-143 REF WP_044032678 "toxin [Corynebacterium ulcerans]" 100.00 560 98.05 99.02 3.67e-142 SP P00587 "RecName: Full=Diphtheria toxin; Short=DT; AltName: Full=NAD(+)--diphthamide ADP-ribosyltransferase; Contains: RecName: Full=Dip" 100.00 560 100.00 100.00 2.90e-144 SP P00588 "RecName: Full=Diphtheria toxin; Short=DT; AltName: Full=NAD(+)--diphthamide ADP-ribosyltransferase; Contains: RecName: Full=Dip" 100.00 567 100.00 100.00 3.72e-144 SP P00589 "RecName: Full=Diphtheria toxin homolog CRM228; Contains: RecName: Full=Diphtheria toxin homolog CRM228 fragment A; Contains: Re" 100.00 560 98.54 99.02 6.53e-142 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $DTA 'Corynebacterium diphtheriae' 1717 Bacteria . Corynebacterium diphtheriae 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 $DTA 'recombinant technology' . Escherichia coli . pET15b10 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 $DTA 1.5 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 2 mM 'natural abundance' DSS 1 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNHA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details ; 1.5 mM DTA 2 mM NaPi 1 mM DSS 5% D2O pH 6.0 T 308K ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6 . pH pressure 1 . atm temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D HNHA' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D HNCO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name DTA _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLY HA2 H 4.226 0.05 1 2 1 1 GLY C C 172.411 0.4 1 3 1 1 GLY CA C 43.498 0.4 1 4 2 2 ALA H H 9.206 0.05 1 5 2 2 ALA HA H 3.981 0.05 1 6 2 2 ALA HB H 1.562 0.05 1 7 2 2 ALA C C 179.187 0.4 1 8 2 2 ALA CA C 55.944 0.4 1 9 2 2 ALA CB C 18.178 0.4 1 10 2 2 ALA N N 124.582 0.1 1 11 3 3 ASP H H 8.760 0.05 1 12 3 3 ASP HA H 4.735 0.05 1 13 3 3 ASP HB2 H 2.871 0.05 1 14 3 3 ASP HB3 H 2.718 0.05 1 15 3 3 ASP C C 175.927 0.4 1 16 3 3 ASP CA C 56.217 0.4 1 17 3 3 ASP CB C 40.174 0.4 1 18 3 3 ASP N N 114.650 0.1 1 19 4 4 ASP H H 7.866 0.05 1 20 4 4 ASP HA H 4.638 0.05 1 21 4 4 ASP HB2 H 2.810 0.05 1 22 4 4 ASP C C 176.965 0.4 1 23 4 4 ASP CA C 56.353 0.4 1 24 4 4 ASP CB C 41.780 0.4 1 25 4 4 ASP N N 115.046 0.1 1 26 5 5 VAL H H 7.685 0.05 1 27 5 5 VAL HA H 4.680 0.05 1 28 5 5 VAL HB H 2.369 0.05 1 29 5 5 VAL HG1 H 1.040 0.05 2 30 5 5 VAL HG2 H 0.859 0.05 2 31 5 5 VAL C C 174.200 0.4 1 32 5 5 VAL CA C 61.869 0.4 1 33 5 5 VAL CB C 34.081 0.4 1 34 5 5 VAL CG1 C 20.200 0.4 2 35 5 5 VAL CG2 C 22.400 0.4 2 36 5 5 VAL N N 107.869 0.1 1 37 6 6 VAL H H 8.411 0.05 1 38 6 6 VAL HA H 4.842 0.05 1 39 6 6 VAL HB H 2.048 0.05 1 40 6 6 VAL HG1 H 0.938 0.05 2 41 6 6 VAL HG2 H 0.907 0.05 2 42 6 6 VAL C C 175.259 0.4 1 43 6 6 VAL CA C 61.100 0.4 1 44 6 6 VAL CB C 34.153 0.4 1 45 6 6 VAL CG1 C 21.800 0.4 2 46 6 6 VAL CG2 C 21.800 0.4 2 47 6 6 VAL N N 122.955 0.1 1 48 7 7 ASP H H 9.148 0.05 1 49 7 7 ASP HA H 4.943 0.05 1 50 7 7 ASP HB2 H 2.956 0.05 1 51 7 7 ASP HB3 H 2.164 0.05 1 52 7 7 ASP C C 177.899 0.4 1 53 7 7 ASP CA C 51.656 0.4 1 54 7 7 ASP CB C 40.658 0.4 1 55 7 7 ASP N N 125.025 0.1 1 56 8 8 SER H H 9.305 0.05 1 57 8 8 SER HA H 4.138 0.05 1 58 8 8 SER C C 176.264 0.4 1 59 8 8 SER CA C 62.654 0.4 1 60 8 8 SER CB C 62.842 0.4 1 61 8 8 SER N N 125.042 0.1 1 62 9 9 SER H H 8.523 0.05 1 63 9 9 SER HA H 4.556 0.05 1 64 9 9 SER HB2 H 4.124 0.05 1 65 9 9 SER C C 175.375 0.4 1 66 9 9 SER CA C 61.085 0.4 1 67 9 9 SER CB C 63.402 0.4 1 68 9 9 SER N N 118.186 0.1 1 69 10 10 LYS H H 7.074 0.05 1 70 10 10 LYS HA H 4.710 0.05 1 71 10 10 LYS HB2 H 2.275 0.05 1 72 10 10 LYS HB3 H 1.287 0.05 1 73 10 10 LYS HG2 H 1.132 0.05 2 74 10 10 LYS HD2 H 1.750 0.05 2 75 10 10 LYS C C 175.181 0.4 1 76 10 10 LYS CA C 55.812 0.4 1 77 10 10 LYS CB C 34.081 0.4 1 78 10 10 LYS CG C 25.400 0.4 1 79 10 10 LYS CD C 31.700 0.4 1 80 10 10 LYS N N 120.671 0.1 1 81 11 11 SER H H 7.247 0.05 1 82 11 11 SER HA H 4.976 0.05 1 83 11 11 SER HB2 H 4.030 0.05 1 84 11 11 SER C C 172.934 0.4 1 85 11 11 SER CA C 59.189 0.4 1 86 11 11 SER CB C 65.191 0.4 1 87 11 11 SER N N 116.570 0.1 1 88 12 12 PHE H H 9.093 0.05 1 89 12 12 PHE HA H 4.318 0.05 1 90 12 12 PHE HB2 H 3.022 0.05 2 91 12 12 PHE C C 176.182 0.4 1 92 12 12 PHE CA C 61.266 0.4 1 93 12 12 PHE CB C 34.235 0.4 1 94 12 12 PHE N N 122.925 0.1 1 95 13 13 VAL H H 9.228 0.05 1 96 13 13 VAL HA H 5.587 0.05 1 97 13 13 VAL HB H 1.963 0.05 1 98 13 13 VAL HG1 H 0.853 0.05 2 99 13 13 VAL HG2 H 0.740 0.05 2 100 13 13 VAL C C 175.744 0.4 1 101 13 13 VAL CA C 57.585 0.4 1 102 13 13 VAL CB C 32.930 0.4 1 103 13 13 VAL CG1 C 22.600 0.4 2 104 13 13 VAL CG2 C 19.100 0.4 2 105 13 13 VAL N N 121.653 0.1 1 106 14 14 MET H H 7.885 0.05 1 107 14 14 MET HA H 4.476 0.05 1 108 14 14 MET CA C 54.308 0.4 1 109 14 14 MET CB C 31.837 0.4 1 110 14 14 MET N N 125.252 0.1 1 111 15 15 GLU HA H 5.014 0.05 1 112 15 15 GLU HB2 H 1.990 0.05 1 113 15 15 GLU HB3 H 1.902 0.05 1 114 15 15 GLU HG2 H 2.374 0.05 2 115 15 15 GLU C C 176.293 0.4 1 116 15 15 GLU CA C 54.724 0.4 1 117 15 15 GLU CB C 30.585 0.4 1 118 15 15 GLU CG C 37.100 0.4 1 119 16 16 ASN H H 8.575 0.05 1 120 16 16 ASN HA H 5.002 0.05 1 121 16 16 ASN HB2 H 2.983 0.05 1 122 16 16 ASN HB3 H 2.754 0.05 1 123 16 16 ASN HD21 H 7.735 0.05 2 124 16 16 ASN HD22 H 7.083 0.05 2 125 16 16 ASN C C 174.666 0.4 1 126 16 16 ASN CA C 54.251 0.4 1 127 16 16 ASN CB C 37.075 0.4 1 128 16 16 ASN N N 121.664 0.1 1 129 16 16 ASN ND2 N 114.443 0.1 1 130 17 17 PHE H H 8.857 0.05 1 131 17 17 PHE HA H 4.484 0.05 1 132 17 17 PHE HB2 H 3.110 0.05 1 133 17 17 PHE HB3 H 2.948 0.05 1 134 17 17 PHE C C 174.655 0.4 1 135 17 17 PHE CA C 59.528 0.4 1 136 17 17 PHE CB C 39.506 0.4 1 137 17 17 PHE N N 118.666 0.1 1 138 18 18 SER H H 7.996 0.05 1 139 18 18 SER HA H 5.340 0.05 1 140 18 18 SER HB2 H 3.516 0.05 1 141 18 18 SER HB3 H 3.436 0.05 1 142 18 18 SER C C 171.512 0.4 1 143 18 18 SER CA C 55.959 0.4 1 144 18 18 SER CB C 66.848 0.4 1 145 18 18 SER N N 125.458 0.1 1 146 19 19 SER H H 8.272 0.05 1 147 19 19 SER HA H 4.234 0.05 1 148 19 19 SER HB2 H 3.638 0.05 1 149 19 19 SER C C 171.425 0.4 1 150 19 19 SER CA C 57.780 0.4 1 151 19 19 SER CB C 64.405 0.4 1 152 19 19 SER N N 112.869 0.1 1 153 20 20 TYR H H 9.689 0.05 1 154 20 20 TYR HA H 5.724 0.05 1 155 20 20 TYR HB2 H 2.571 0.05 1 156 20 20 TYR C C 174.882 0.4 1 157 20 20 TYR CA C 57.677 0.4 1 158 20 20 TYR CB C 42.276 0.4 1 159 20 20 TYR N N 114.695 0.1 1 160 21 21 HIS H H 9.401 0.05 1 161 21 21 HIS HA H 5.221 0.05 1 162 21 21 HIS HB2 H 3.167 0.05 2 163 21 21 HIS C C 181.677 0.4 1 164 21 21 HIS CA C 54.702 0.4 1 165 21 21 HIS CB C 32.774 0.4 1 166 21 21 HIS N N 119.481 0.1 1 167 22 22 GLY H H 7.861 0.05 1 168 22 22 GLY HA2 H 4.838 0.05 1 169 22 22 GLY C C 176.851 0.4 1 170 22 22 GLY CA C 45.198 0.4 1 171 22 22 GLY N N 114.076 0.1 1 172 23 23 THR H H 8.731 0.05 1 173 23 23 THR HA H 5.780 0.05 1 174 23 23 THR HB H 3.918 0.05 1 175 23 23 THR CA C 56.258 0.4 1 176 23 23 THR CB C 66.948 0.4 1 177 23 23 THR N N 116.201 0.1 1 178 25 25 PRO HA H 4.196 0.05 1 179 25 25 PRO HB2 H 2.118 0.05 1 180 25 25 PRO HG2 H 2.302 0.05 2 181 25 25 PRO HD2 H 3.656 0.05 2 182 25 25 PRO C C 176.646 0.4 1 183 25 25 PRO CA C 62.465 0.4 1 184 25 25 PRO CB C 32.610 0.4 1 185 25 25 PRO CG C 28.400 0.4 1 186 25 25 PRO CD C 50.800 0.4 1 187 26 26 GLY H H 8.503 0.05 1 188 26 26 GLY HA2 H 3.926 0.05 1 189 26 26 GLY C C 173.885 0.4 1 190 26 26 GLY CA C 45.318 0.4 1 191 26 26 GLY N N 112.085 0.1 1 192 27 27 TYR H H 8.011 0.05 1 193 27 27 TYR HA H 4.696 0.05 1 194 27 27 TYR HB2 H 3.145 0.05 1 195 27 27 TYR C C 174.480 0.4 1 196 27 27 TYR CA C 58.038 0.4 1 197 27 27 TYR CB C 39.483 0.4 1 198 27 27 TYR N N 120.075 0.1 1 199 28 28 VAL H H 8.008 0.05 1 200 28 28 VAL HA H 4.540 0.05 1 201 28 28 VAL HB H 1.834 0.05 1 202 28 28 VAL HG1 H 0.943 0.05 2 203 28 28 VAL HG2 H 0.904 0.05 2 204 28 28 VAL C C 183.949 0.4 1 205 28 28 VAL CA C 62.268 0.4 1 206 28 28 VAL CB C 32.416 0.4 1 207 28 28 VAL CG1 C 23.700 0.4 2 208 28 28 VAL CG2 C 23.700 0.4 2 209 28 28 VAL N N 121.831 0.1 1 210 29 29 ASP H H 10.052 0.05 1 211 29 29 ASP HA H 4.580 0.05 1 212 29 29 ASP HB2 H 2.861 0.05 2 213 29 29 ASP C C 179.028 0.4 1 214 29 29 ASP CA C 56.258 0.4 1 215 29 29 ASP CB C 38.859 0.4 1 216 29 29 ASP N N 127.523 0.1 1 217 30 30 SER H H 8.237 0.05 1 218 30 30 SER HA H 4.320 0.05 1 219 30 30 SER HB2 H 4.311 0.05 2 220 30 30 SER CA C 61.057 0.4 1 221 30 30 SER CB C 63.109 0.4 1 222 30 30 SER N N 114.439 0.1 1 223 32 32 GLN HA H 4.364 0.05 1 224 32 32 GLN HB2 H 2.266 0.05 1 225 32 32 GLN C C 176.929 0.4 1 226 32 32 GLN CA C 62.705 0.4 1 227 32 32 GLN CB C 31.473 0.4 1 228 33 33 LYS H H 8.500 0.05 1 229 33 33 LYS HA H 4.123 0.05 1 230 33 33 LYS HB2 H 1.730 0.05 1 231 33 33 LYS HG2 H 1.513 0.05 2 232 33 33 LYS HD2 H 1.737 0.05 2 233 33 33 LYS HE2 H 3.054 0.05 2 234 33 33 LYS C C 177.007 0.4 1 235 33 33 LYS CA C 56.879 0.4 1 236 33 33 LYS CB C 32.480 0.4 1 237 33 33 LYS CG C 24.300 0.4 1 238 33 33 LYS CD C 28.600 0.4 1 239 33 33 LYS CE C 41.800 0.4 1 240 33 33 LYS N N 121.711 0.1 1 241 34 34 GLY H H 7.345 0.05 1 242 34 34 GLY HA2 H 3.739 0.05 1 243 34 34 GLY C C 175.739 0.4 1 244 34 34 GLY CA C 45.035 0.4 1 245 34 34 GLY N N 107.247 0.1 1 246 35 35 ILE H H 8.070 0.05 1 247 35 35 ILE HA H 4.811 0.05 1 248 35 35 ILE C C 175.656 0.4 1 249 35 35 ILE CA C 58.397 0.4 1 250 35 35 ILE CB C 39.665 0.4 1 251 35 35 ILE N N 118.707 0.1 1 252 36 36 GLN H H 8.181 0.05 1 253 36 36 GLN HA H 4.623 0.05 1 254 36 36 GLN HB2 H 2.084 0.05 2 255 36 36 GLN HG2 H 2.256 0.05 2 256 36 36 GLN C C 174.170 0.4 1 257 36 36 GLN CA C 54.032 0.4 1 258 36 36 GLN CB C 31.796 0.4 1 259 36 36 GLN CG C 34.700 0.4 1 260 36 36 GLN N N 122.191 0.1 1 261 37 37 LYS H H 8.412 0.05 1 262 37 37 LYS CA C 54.542 0.4 1 263 37 37 LYS CB C 32.462 0.4 1 264 37 37 LYS N N 125.961 0.1 1 265 38 38 PRO HA H 4.187 0.05 1 266 38 38 PRO HB2 H 2.159 0.05 2 267 38 38 PRO C C 176.293 0.4 1 268 38 38 PRO CA C 62.500 0.4 1 269 38 38 PRO CB C 32.618 0.4 1 270 39 39 LYS H H 8.267 0.05 1 271 39 39 LYS HA H 4.264 0.05 1 272 39 39 LYS C C 177.236 0.4 1 273 39 39 LYS CA C 62.344 0.4 1 274 39 39 LYS CB C 32.852 0.4 1 275 39 39 LYS N N 124.205 0.1 1 276 40 40 SER H H 8.093 0.05 1 277 40 40 SER HA H 4.188 0.05 1 278 40 40 SER HB2 H 4.190 0.05 2 279 40 40 SER CA C 66.792 0.4 1 280 40 40 SER CB C 68.976 0.4 1 281 40 40 SER N N 120.445 0.1 1 282 41 41 GLY HA2 H 4.218 0.05 1 283 41 41 GLY HA3 H 4.046 0.05 1 284 41 41 GLY C C 174.619 0.4 1 285 41 41 GLY CA C 45.288 0.4 1 286 42 42 THR H H 8.177 0.05 1 287 42 42 THR HA H 4.415 0.05 1 288 42 42 THR HB H 4.307 0.05 1 289 42 42 THR C C 174.956 0.4 1 290 42 42 THR CA C 62.366 0.4 1 291 42 42 THR CB C 69.826 0.4 1 292 42 42 THR N N 112.622 0.1 1 293 43 43 GLN H H 8.728 0.05 1 294 43 43 GLN HA H 4.458 0.05 1 295 43 43 GLN HB2 H 2.305 0.05 1 296 43 43 GLN HG2 H 2.131 0.05 2 297 43 43 GLN HE21 H 7.631 0.05 2 298 43 43 GLN HE22 H 7.057 0.05 2 299 43 43 GLN C C 176.199 0.4 1 300 43 43 GLN CA C 56.150 0.4 1 301 43 43 GLN CB C 29.097 0.4 1 302 43 43 GLN CG C 34.700 0.4 1 303 43 43 GLN N N 121.423 0.1 1 304 43 43 GLN NE2 N 111.542 0.1 1 305 44 44 GLY H H 8.453 0.05 1 306 44 44 GLY HA2 H 3.997 0.05 1 307 44 44 GLY C C 174.181 0.4 1 308 44 44 GLY CA C 45.515 0.4 1 309 44 44 GLY N N 109.234 0.1 1 310 45 45 ASN H H 8.263 0.05 1 311 45 45 ASN HA H 4.748 0.05 1 312 45 45 ASN HB2 H 2.980 0.05 1 313 45 45 ASN HB3 H 2.724 0.05 1 314 45 45 ASN HD21 H 7.633 0.05 2 315 45 45 ASN HD22 H 6.937 0.05 2 316 45 45 ASN C C 174.559 0.4 1 317 45 45 ASN CA C 53.465 0.4 1 318 45 45 ASN CB C 39.060 0.4 1 319 45 45 ASN N N 118.497 0.1 1 320 45 45 ASN ND2 N 112.492 0.1 1 321 46 46 TYR H H 8.092 0.05 1 322 46 46 TYR HA H 4.671 0.05 1 323 46 46 TYR HB2 H 3.230 0.05 1 324 46 46 TYR HB3 H 2.978 0.05 1 325 46 46 TYR C C 175.824 0.4 1 326 46 46 TYR CA C 60.118 0.4 1 327 46 46 TYR CB C 39.415 0.4 1 328 46 46 TYR N N 120.478 0.1 1 329 47 47 ASP H H 8.755 0.05 1 330 47 47 ASP HA H 4.751 0.05 1 331 47 47 ASP C C 177.607 0.4 1 332 47 47 ASP CA C 54.289 0.4 1 333 47 47 ASP CB C 41.660 0.4 1 334 47 47 ASP N N 121.669 0.1 1 335 48 48 ASP H H 8.180 0.05 1 336 48 48 ASP HA H 4.471 0.05 1 337 48 48 ASP HB2 H 2.754 0.05 1 338 48 48 ASP C C 178.116 0.4 1 339 48 48 ASP CA C 57.241 0.4 1 340 48 48 ASP CB C 41.188 0.4 1 341 48 48 ASP N N 115.595 0.1 1 342 49 49 ASP H H 8.723 0.05 1 343 49 49 ASP HA H 4.297 0.05 1 344 49 49 ASP HB2 H 2.331 0.05 1 345 49 49 ASP HB3 H 1.611 0.05 1 346 49 49 ASP C C 176.265 0.4 1 347 49 49 ASP CA C 58.766 0.4 1 348 49 49 ASP CB C 42.782 0.4 1 349 49 49 ASP N N 117.747 0.1 1 350 50 50 TRP H H 7.851 0.05 1 351 50 50 TRP HA H 4.892 0.05 1 352 50 50 TRP HB2 H 3.816 0.05 1 353 50 50 TRP HB3 H 2.924 0.05 1 354 50 50 TRP C C 175.931 0.4 1 355 50 50 TRP CA C 55.144 0.4 1 356 50 50 TRP CB C 30.035 0.4 1 357 50 50 TRP N N 114.055 0.1 1 358 51 51 LYS H H 7.261 0.05 1 359 51 51 LYS HA H 4.513 0.05 1 360 51 51 LYS HB2 H 2.133 0.05 1 361 51 51 LYS C C 175.589 0.4 1 362 51 51 LYS CA C 57.990 0.4 1 363 51 51 LYS CB C 32.930 0.4 1 364 51 51 LYS N N 122.236 0.1 1 365 52 52 GLY H H 7.872 0.05 1 366 52 52 GLY HA2 H 4.628 0.05 1 367 52 52 GLY C C 169.112 0.4 1 368 52 52 GLY CA C 44.148 0.4 1 369 52 52 GLY N N 110.880 0.1 1 370 53 53 PHE H H 7.892 0.05 1 371 53 53 PHE HA H 4.289 0.05 1 372 53 53 PHE C C 175.653 0.4 1 373 53 53 PHE CA C 56.088 0.4 1 374 53 53 PHE CB C 39.353 0.4 1 375 53 53 PHE N N 119.768 0.1 1 376 54 54 TYR H H 8.948 0.05 1 377 54 54 TYR HA H 5.187 0.05 1 378 54 54 TYR HB2 H 2.929 0.05 1 379 54 54 TYR C C 174.245 0.4 1 380 54 54 TYR CA C 58.017 0.4 1 381 54 54 TYR CB C 39.106 0.4 1 382 54 54 TYR N N 104.108 0.1 1 383 55 55 SER H H 9.431 0.05 1 384 55 55 SER HA H 5.120 0.05 1 385 55 55 SER HB2 H 4.237 0.05 1 386 55 55 SER C C 173.356 0.4 1 387 55 55 SER CA C 57.387 0.4 1 388 55 55 SER CB C 66.279 0.4 1 389 55 55 SER N N 118.888 0.1 1 390 56 56 THR H H 9.822 0.05 1 391 56 56 THR HA H 5.768 0.05 1 392 56 56 THR HB H 4.563 0.05 1 393 56 56 THR HG2 H 1.348 0.05 1 394 56 56 THR C C 173.662 0.4 1 395 56 56 THR CA C 59.835 0.4 1 396 56 56 THR CB C 69.919 0.4 1 397 56 56 THR CG2 C 22.100 0.4 1 398 56 56 THR N N 113.536 0.1 1 399 57 57 ASP H H 9.097 0.05 1 400 57 57 ASP HA H 5.144 0.05 1 401 57 57 ASP HB2 H 3.200 0.05 1 402 57 57 ASP C C 174.046 0.4 1 403 57 57 ASP CA C 55.198 0.4 1 404 57 57 ASP CB C 41.039 0.4 1 405 57 57 ASP N N 125.813 0.1 1 406 58 58 ASN H H 7.968 0.05 1 407 58 58 ASN HA H 4.193 0.05 1 408 58 58 ASN HB2 H 3.137 0.05 1 409 58 58 ASN HB3 H 2.789 0.05 1 410 58 58 ASN C C 175.017 0.4 1 411 58 58 ASN CA C 52.304 0.4 1 412 58 58 ASN CB C 41.013 0.4 1 413 58 58 ASN N N 119.697 0.1 1 414 59 59 LYS H H 8.295 0.05 1 415 59 59 LYS HA H 3.305 0.05 1 416 59 59 LYS C C 175.133 0.4 1 417 59 59 LYS CA C 58.711 0.4 1 418 59 59 LYS CB C 30.622 0.4 1 419 59 59 LYS N N 124.870 0.1 1 420 60 60 TYR H H 7.477 0.05 1 421 60 60 TYR HA H 4.297 0.05 1 422 60 60 TYR HB2 H 3.039 0.05 1 423 60 60 TYR C C 178.079 0.4 1 424 60 60 TYR CA C 60.498 0.4 1 425 60 60 TYR CB C 36.643 0.4 1 426 60 60 TYR N N 120.505 0.1 1 427 61 61 ASP H H 7.814 0.05 1 428 61 61 ASP HA H 4.547 0.05 1 429 61 61 ASP HB2 H 2.823 0.05 1 430 61 61 ASP HB3 H 2.825 0.05 2 431 61 61 ASP C C 178.796 0.4 1 432 61 61 ASP CA C 57.639 0.4 1 433 61 61 ASP CB C 40.137 0.4 1 434 61 61 ASP N N 119.356 0.1 1 435 62 62 ALA H H 7.859 0.05 1 436 62 62 ALA HA H 4.139 0.05 1 437 62 62 ALA HB H 1.396 0.05 1 438 62 62 ALA C C 179.016 0.4 1 439 62 62 ALA CA C 54.837 0.4 1 440 62 62 ALA CB C 18.370 0.4 1 441 62 62 ALA N N 122.544 0.1 1 442 63 63 ALA H H 7.681 0.05 1 443 63 63 ALA HA H 3.964 0.05 1 444 63 63 ALA HB H 1.851 0.05 1 445 63 63 ALA C C 179.798 0.4 1 446 63 63 ALA CA C 55.139 0.4 1 447 63 63 ALA CB C 18.367 0.4 1 448 63 63 ALA N N 117.525 0.1 1 449 64 64 GLY H H 7.867 0.05 1 450 64 64 GLY HA2 H 4.014 0.05 1 451 64 64 GLY C C 175.365 0.4 1 452 64 64 GLY CA C 46.975 0.4 1 453 64 64 GLY N N 106.268 0.1 1 454 65 65 TYR H H 7.649 0.05 1 455 65 65 TYR HA H 4.688 0.05 1 456 65 65 TYR HB2 H 3.373 0.05 1 457 65 65 TYR HB3 H 3.030 0.05 1 458 65 65 TYR C C 176.313 0.4 1 459 65 65 TYR CA C 56.290 0.4 1 460 65 65 TYR CB C 37.656 0.4 1 461 65 65 TYR N N 117.771 0.1 1 462 66 66 SER H H 8.105 0.05 1 463 66 66 SER HA H 4.326 0.05 1 464 66 66 SER C C 174.481 0.4 1 465 66 66 SER CA C 58.089 0.4 1 466 66 66 SER CB C 64.019 0.4 1 467 66 66 SER N N 115.881 0.1 1 468 67 67 VAL H H 8.198 0.05 1 469 67 67 VAL HA H 4.188 0.05 1 470 67 67 VAL HB H 1.892 0.05 1 471 67 67 VAL C C 175.960 0.4 1 472 67 67 VAL CA C 62.303 0.4 1 473 67 67 VAL CB C 32.888 0.4 1 474 67 67 VAL N N 121.516 0.1 1 475 68 68 ASP H H 8.457 0.05 1 476 68 68 ASP HA H 4.669 0.05 1 477 68 68 ASP HB2 H 2.776 0.05 1 478 68 68 ASP HB3 H 2.654 0.05 1 479 68 68 ASP C C 176.019 0.4 1 480 68 68 ASP CA C 54.519 0.4 1 481 68 68 ASP CB C 41.211 0.4 1 482 68 68 ASP N N 124.502 0.1 1 483 69 69 ASN H H 8.331 0.05 1 484 69 69 ASN HA H 4.714 0.05 1 485 69 69 ASN HB2 H 2.930 0.05 1 486 69 69 ASN HB3 H 2.780 0.05 1 487 69 69 ASN HD21 H 7.715 0.05 2 488 69 69 ASN HD22 H 7.069 0.05 2 489 69 69 ASN C C 175.974 0.4 1 490 69 69 ASN CA C 53.842 0.4 1 491 69 69 ASN CB C 39.002 0.4 1 492 69 69 ASN N N 119.130 0.1 1 493 69 69 ASN ND2 N 112.250 0.1 1 494 70 70 GLU H H 8.527 0.05 1 495 70 70 GLU HA H 4.309 0.05 1 496 70 70 GLU HB2 H 2.193 0.05 1 497 70 70 GLU C C 176.942 0.4 1 498 70 70 GLU CA C 55.854 0.4 1 499 70 70 GLU CB C 30.115 0.4 1 500 70 70 GLU N N 121.237 0.1 1 501 71 71 ASN H H 7.715 0.05 1 502 71 71 ASN HA H 5.129 0.05 1 503 71 71 ASN HB2 H 3.000 0.05 2 504 71 71 ASN HB3 H 2.862 0.05 2 505 71 71 ASN HD21 H 7.938 0.05 2 506 71 71 ASN HD22 H 7.005 0.05 2 507 71 71 ASN CA C 50.509 0.4 1 508 71 71 ASN CB C 39.137 0.4 1 509 71 71 ASN N N 114.969 0.1 1 510 71 71 ASN ND2 N 112.390 0.1 1 511 72 72 PRO HA H 4.593 0.05 1 512 72 72 PRO HB2 H 2.487 0.05 1 513 72 72 PRO HB3 H 2.047 0.05 1 514 72 72 PRO HG2 H 2.076 0.05 2 515 72 72 PRO HD2 H 3.540 0.05 2 516 72 72 PRO C C 178.132 0.4 1 517 72 72 PRO CA C 64.993 0.4 1 518 72 72 PRO CB C 32.257 0.4 1 519 72 72 PRO CG C 27.300 0.4 1 520 72 72 PRO CD C 50.500 0.4 1 521 73 73 LEU H H 7.995 0.05 1 522 73 73 LEU HA H 4.485 0.05 1 523 73 73 LEU HB2 H 1.803 0.05 1 524 73 73 LEU HG H 1.321 0.05 1 525 73 73 LEU HD1 H 0.761 0.05 2 526 73 73 LEU HD2 H 0.904 0.05 2 527 73 73 LEU C C 178.272 0.4 1 528 73 73 LEU CA C 55.082 0.4 1 529 73 73 LEU CB C 43.055 0.4 1 530 73 73 LEU CG C 26.200 0.4 1 531 73 73 LEU CD1 C 24.300 0.4 2 532 73 73 LEU CD2 C 25.400 0.4 2 533 73 73 LEU N N 116.624 0.1 1 534 74 74 SER H H 8.320 0.05 1 535 74 74 SER HA H 4.183 0.05 1 536 74 74 SER HB2 H 4.420 0.05 2 537 74 74 SER C C 175.981 0.4 1 538 74 74 SER CA C 60.014 0.4 1 539 74 74 SER CB C 63.939 0.4 1 540 74 74 SER N N 117.119 0.1 1 541 75 75 GLY H H 7.859 0.05 1 542 75 75 GLY HA2 H 3.978 0.05 1 543 75 75 GLY C C 170.822 0.4 1 544 75 75 GLY CA C 45.901 0.4 1 545 75 75 GLY N N 108.568 0.1 1 546 76 76 LYS H H 8.732 0.05 1 547 76 76 LYS CA C 61.503 0.4 1 548 76 76 LYS CB C 35.291 0.4 1 549 76 76 LYS N N 118.268 0.1 1 550 77 77 ALA HA H 4.347 0.05 1 551 77 77 ALA HB H 1.421 0.05 1 552 77 77 ALA C C 178.336 0.4 1 553 77 77 ALA CA C 52.890 0.4 1 554 77 77 ALA CB C 19.084 0.4 1 555 78 78 GLY H H 8.201 0.05 1 556 78 78 GLY CA C 45.397 0.4 1 557 78 78 GLY N N 107.199 0.1 1 558 79 79 GLY C C 173.543 0.4 1 559 79 79 GLY CA C 45.762 0.4 1 560 80 80 VAL H H 8.428 0.05 1 561 80 80 VAL C C 172.887 0.4 1 562 80 80 VAL CA C 56.814 0.4 1 563 80 80 VAL CB C 39.848 0.4 1 564 80 80 VAL N N 118.768 0.1 1 565 81 81 VAL H H 8.679 0.05 1 566 81 81 VAL HA H 5.208 0.05 1 567 81 81 VAL HB H 1.981 0.05 1 568 81 81 VAL HG1 H 1.075 0.05 2 569 81 81 VAL HG2 H 0.821 0.05 2 570 81 81 VAL C C 175.906 0.4 1 571 81 81 VAL CA C 60.567 0.4 1 572 81 81 VAL CB C 33.664 0.4 1 573 81 81 VAL CG1 C 21.800 0.4 2 574 81 81 VAL CG2 C 22.100 0.4 2 575 81 81 VAL N N 118.205 0.1 1 576 82 82 LYS H H 9.051 0.05 1 577 82 82 LYS HA H 5.014 0.05 1 578 82 82 LYS HB2 H 2.369 0.05 1 579 82 82 LYS HB3 H 2.093 0.05 1 580 82 82 LYS HD2 H 1.966 0.05 2 581 82 82 LYS HD3 H 1.966 0.05 2 582 82 82 LYS C C 174.220 0.4 1 583 82 82 LYS CA C 54.617 0.4 1 584 82 82 LYS CB C 37.759 0.4 1 585 82 82 LYS CD C 29.700 0.4 1 586 82 82 LYS N N 124.912 0.1 1 587 83 83 VAL H H 8.972 0.05 1 588 83 83 VAL HA H 4.403 0.05 1 589 83 83 VAL HB H 1.877 0.05 1 590 83 83 VAL C C 176.322 0.4 1 591 83 83 VAL CA C 54.932 0.4 1 592 83 83 VAL CB C 32.882 0.4 1 593 83 83 VAL N N 128.493 0.1 1 594 84 84 THR H H 8.105 0.05 1 595 84 84 THR HA H 4.831 0.05 1 596 84 84 THR HB H 3.692 0.05 1 597 84 84 THR HG2 H 0.590 0.05 1 598 84 84 THR C C 174.301 0.4 1 599 84 84 THR CA C 61.451 0.4 1 600 84 84 THR CB C 71.545 0.4 1 601 84 84 THR CG2 C 22.100 0.4 1 602 84 84 THR N N 115.881 0.1 1 603 85 85 TYR H H 8.543 0.05 1 604 85 85 TYR HA H 4.934 0.05 1 605 85 85 TYR CA C 56.017 0.4 1 606 85 85 TYR CB C 41.145 0.4 1 607 85 85 TYR N N 127.388 0.1 1 608 86 86 PRO HA H 4.851 0.05 1 609 86 86 PRO HB2 H 2.442 0.05 1 610 86 86 PRO HB3 H 2.111 0.05 1 611 86 86 PRO C C 177.269 0.4 1 612 86 86 PRO CA C 62.198 0.4 1 613 86 86 PRO CB C 32.117 0.4 1 614 87 87 GLY H H 8.956 0.05 1 615 87 87 GLY HA2 H 4.155 0.05 1 616 87 87 GLY HA3 H 3.972 0.05 1 617 87 87 GLY C C 174.923 0.4 1 618 87 87 GLY CA C 45.588 0.4 1 619 87 87 GLY N N 109.224 0.1 1 620 88 88 LEU H H 9.369 0.05 1 621 88 88 LEU HA H 4.901 0.05 1 622 88 88 LEU HB2 H 1.838 0.05 1 623 88 88 LEU HB3 H 1.285 0.05 1 624 88 88 LEU C C 176.533 0.4 1 625 88 88 LEU CA C 54.613 0.4 1 626 88 88 LEU CB C 44.332 0.4 1 627 88 88 LEU N N 125.696 0.1 1 628 89 89 THR H H 8.738 0.05 1 629 89 89 THR HA H 4.310 0.05 1 630 89 89 THR HB H 3.674 0.05 1 631 89 89 THR HG2 H 0.591 0.05 1 632 89 89 THR C C 171.585 0.4 1 633 89 89 THR CA C 63.092 0.4 1 634 89 89 THR CB C 71.054 0.4 1 635 89 89 THR CG2 C 22.100 0.4 1 636 89 89 THR N N 121.130 0.1 1 637 90 90 LYS H H 7.995 0.05 1 638 90 90 LYS HA H 4.989 0.05 1 639 90 90 LYS HB2 H 2.062 0.05 1 640 90 90 LYS HB3 H 1.951 0.05 1 641 90 90 LYS HD2 H 1.689 0.05 2 642 90 90 LYS HE2 H 3.009 0.05 2 643 90 90 LYS C C 173.230 0.4 1 644 90 90 LYS CA C 53.427 0.4 1 645 90 90 LYS CB C 33.100 0.4 1 646 90 90 LYS CD C 30.000 0.4 1 647 90 90 LYS CE C 42.900 0.4 1 648 90 90 LYS N N 126.836 0.1 1 649 91 91 VAL H H 9.020 0.05 1 650 91 91 VAL HA H 4.294 0.05 1 651 91 91 VAL HB H 0.436 0.05 1 652 91 91 VAL C C 174.214 0.4 1 653 91 91 VAL CA C 61.122 0.4 1 654 91 91 VAL CB C 31.172 0.4 1 655 91 91 VAL N N 130.467 0.1 1 656 92 92 LEU H H 8.902 0.05 1 657 92 92 LEU HA H 4.509 0.05 1 658 92 92 LEU HB2 H 1.944 0.05 1 659 92 92 LEU HB3 H 1.024 0.05 1 660 92 92 LEU HG H 1.392 0.05 1 661 92 92 LEU HD1 H 1.288 0.05 2 662 92 92 LEU HD2 H 0.679 0.05 2 663 92 92 LEU C C 173.646 0.4 1 664 92 92 LEU CA C 52.833 0.4 1 665 92 92 LEU CB C 44.712 0.4 1 666 92 92 LEU CG C 26.500 0.4 1 667 92 92 LEU CD1 C 25.400 0.4 2 668 92 92 LEU CD2 C 24.800 0.4 2 669 92 92 LEU N N 129.711 0.1 1 670 93 93 ALA H H 8.516 0.05 1 671 93 93 ALA HA H 4.961 0.05 1 672 93 93 ALA HB H 1.402 0.05 1 673 93 93 ALA C C 176.924 0.4 1 674 93 93 ALA CA C 51.241 0.4 1 675 93 93 ALA CB C 20.002 0.4 1 676 93 93 ALA N N 130.122 0.1 1 677 94 94 LEU H H 8.678 0.05 1 678 94 94 LEU HA H 5.157 0.05 1 679 94 94 LEU HB2 H 2.233 0.05 1 680 94 94 LEU HB3 H 1.990 0.05 1 681 94 94 LEU HG H 1.289 0.05 1 682 94 94 LEU HD1 H 0.949 0.05 2 683 94 94 LEU C C 178.911 0.4 1 684 94 94 LEU CA C 54.096 0.4 1 685 94 94 LEU CB C 44.207 0.4 1 686 94 94 LEU CG C 26.700 0.4 1 687 94 94 LEU CD1 C 22.600 0.4 2 688 94 94 LEU N N 123.177 0.1 1 689 95 95 LYS H H 8.848 0.05 1 690 95 95 LYS HA H 4.470 0.05 1 691 95 95 LYS HB2 H 1.999 0.05 1 692 95 95 LYS HB3 H 1.563 0.05 1 693 95 95 LYS HG2 H 1.419 0.05 2 694 95 95 LYS HD2 H 1.419 0.05 2 695 95 95 LYS HD3 H 1.244 0.05 2 696 95 95 LYS HE2 H 2.957 0.05 2 697 95 95 LYS C C 176.290 0.4 1 698 95 95 LYS CA C 56.837 0.4 1 699 95 95 LYS CB C 35.051 0.4 1 700 95 95 LYS CG C 26.500 0.4 1 701 95 95 LYS CD C 26.200 0.4 1 702 95 95 LYS CE C 41.800 0.4 1 703 95 95 LYS N N 116.417 0.1 1 704 96 96 VAL H H 7.292 0.05 1 705 96 96 VAL HA H 4.780 0.05 1 706 96 96 VAL HB H 2.455 0.05 1 707 96 96 VAL HG1 H 1.142 0.05 2 708 96 96 VAL HG2 H 1.046 0.05 2 709 96 96 VAL C C 173.068 0.4 1 710 96 96 VAL CA C 58.705 0.4 1 711 96 96 VAL CB C 35.795 0.4 1 712 96 96 VAL CG1 C 21.500 0.4 2 713 96 96 VAL CG2 C 19.400 0.4 2 714 96 96 VAL N N 109.790 0.1 1 715 97 97 ASP H H 8.072 0.05 1 716 97 97 ASP HA H 4.758 0.05 1 717 97 97 ASP HB2 H 2.820 0.05 1 718 97 97 ASP HB3 H 2.169 0.05 1 719 97 97 ASP C C 174.616 0.4 1 720 97 97 ASP CA C 52.187 0.4 1 721 97 97 ASP CB C 40.513 0.4 1 722 97 97 ASP N N 115.866 0.1 1 723 98 98 ASN H H 6.616 0.05 1 724 98 98 ASN HA H 5.109 0.05 1 725 98 98 ASN HB2 H 2.994 0.05 1 726 98 98 ASN HD21 H 7.789 0.05 2 727 98 98 ASN HD22 H 7.262 0.05 2 728 98 98 ASN C C 175.334 0.4 1 729 98 98 ASN CA C 52.610 0.4 1 730 98 98 ASN CB C 39.548 0.4 1 731 98 98 ASN N N 116.596 0.1 1 732 98 98 ASN ND2 N 112.357 0.1 1 733 99 99 ALA H H 9.889 0.05 1 734 99 99 ALA HA H 3.950 0.05 1 735 99 99 ALA HB H 1.243 0.05 1 736 99 99 ALA C C 178.347 0.4 1 737 99 99 ALA CA C 55.722 0.4 1 738 99 99 ALA CB C 18.315 0.4 1 739 99 99 ALA N N 128.583 0.1 1 740 100 100 GLU H H 8.413 0.05 1 741 100 100 GLU HA H 3.934 0.05 1 742 100 100 GLU HB2 H 2.273 0.05 1 743 100 100 GLU HG2 H 2.070 0.05 2 744 100 100 GLU C C 178.272 0.4 1 745 100 100 GLU CA C 60.597 0.4 1 746 100 100 GLU CB C 29.325 0.4 1 747 100 100 GLU CG C 34.900 0.4 1 748 100 100 GLU N N 118.808 0.1 1 749 101 101 THR H H 7.813 0.05 1 750 101 101 THR HA H 3.969 0.05 1 751 101 101 THR HB H 3.971 0.05 1 752 101 101 THR HG2 H 1.359 0.05 1 753 101 101 THR C C 179.350 0.4 1 754 101 101 THR CA C 66.834 0.4 1 755 101 101 THR CB C 69.026 0.4 1 756 101 101 THR CG2 C 22.400 0.4 1 757 101 101 THR N N 116.364 0.1 1 758 102 102 ILE H H 8.055 0.05 1 759 102 102 ILE HA H 3.414 0.05 1 760 102 102 ILE HB H 1.784 0.05 1 761 102 102 ILE C C 176.931 0.4 1 762 102 102 ILE CA C 61.230 0.4 1 763 102 102 ILE CB C 34.592 0.4 1 764 102 102 ILE N N 120.694 0.1 1 765 103 103 LYS H H 8.412 0.05 1 766 103 103 LYS HA H 3.694 0.05 1 767 103 103 LYS HB2 H 1.946 0.05 1 768 103 103 LYS HB3 H 1.676 0.05 1 769 103 103 LYS C C 178.324 0.4 1 770 103 103 LYS CA C 60.719 0.4 1 771 103 103 LYS CB C 32.437 0.4 1 772 103 103 LYS N N 116.380 0.1 1 773 104 104 LYS H H 8.250 0.05 1 774 104 104 LYS HA H 4.087 0.05 1 775 104 104 LYS HB2 H 2.025 0.05 1 776 104 104 LYS HG2 H 1.498 0.05 2 777 104 104 LYS HD2 H 1.689 0.05 2 778 104 104 LYS C C 180.722 0.4 1 779 104 104 LYS CA C 59.880 0.4 1 780 104 104 LYS CB C 32.917 0.4 1 781 104 104 LYS CG C 25.600 0.4 1 782 104 104 LYS CD C 30.000 0.4 1 783 104 104 LYS N N 117.349 0.1 1 784 105 105 GLU H H 8.578 0.05 1 785 105 105 GLU HA H 4.471 0.05 1 786 105 105 GLU HB2 H 2.121 0.05 1 787 105 105 GLU HB3 H 1.783 0.05 1 788 105 105 GLU HG2 H 2.440 0.05 2 789 105 105 GLU C C 178.868 0.4 1 790 105 105 GLU CA C 57.992 0.4 1 791 105 105 GLU CB C 29.398 0.4 1 792 105 105 GLU CG C 36.300 0.4 1 793 105 105 GLU N N 117.234 0.1 1 794 106 106 LEU H H 8.132 0.05 1 795 106 106 LEU HA H 4.579 0.05 1 796 106 106 LEU HB2 H 1.760 0.05 1 797 106 106 LEU C C 176.987 0.4 1 798 106 106 LEU CA C 54.633 0.4 1 799 106 106 LEU CB C 40.566 0.4 1 800 106 106 LEU N N 114.438 0.1 1 801 107 107 GLY H H 7.687 0.05 1 802 107 107 GLY HA2 H 4.058 0.05 1 803 107 107 GLY C C 175.378 0.4 1 804 107 107 GLY CA C 47.369 0.4 1 805 107 107 GLY N N 108.807 0.1 1 806 108 108 LEU H H 8.633 0.05 1 807 108 108 LEU HA H 4.644 0.05 1 808 108 108 LEU HB2 H 2.050 0.05 1 809 108 108 LEU HB3 H 1.544 0.05 1 810 108 108 LEU C C 176.287 0.4 1 811 108 108 LEU CA C 52.813 0.4 1 812 108 108 LEU CB C 40.818 0.4 1 813 108 108 LEU N N 119.317 0.1 1 814 109 109 SER H H 8.277 0.05 1 815 109 109 SER HA H 4.515 0.05 1 816 109 109 SER HB2 H 4.022 0.05 1 817 109 109 SER HB3 H 3.658 0.05 1 818 109 109 SER C C 177.667 0.4 1 819 109 109 SER CA C 58.008 0.4 1 820 109 109 SER CB C 62.889 0.4 1 821 109 109 SER N N 113.018 0.1 1 822 110 110 LEU H H 9.036 0.05 1 823 110 110 LEU HA H 4.193 0.05 1 824 110 110 LEU HB2 H 1.834 0.05 1 825 110 110 LEU HD1 H 1.060 0.05 2 826 110 110 LEU HD2 H 0.944 0.05 2 827 110 110 LEU C C 179.028 0.4 1 828 110 110 LEU CA C 56.851 0.4 1 829 110 110 LEU CB C 41.569 0.4 1 830 110 110 LEU CD1 C 24.500 0.4 2 831 110 110 LEU CD2 C 23.500 0.4 2 832 110 110 LEU N N 125.986 0.1 1 833 111 111 THR H H 7.957 0.05 1 834 111 111 THR HA H 4.479 0.05 1 835 111 111 THR HB H 4.321 0.05 1 836 111 111 THR C C 174.503 0.4 1 837 111 111 THR CA C 62.122 0.4 1 838 111 111 THR CB C 68.575 0.4 1 839 111 111 THR N N 106.735 0.1 1 840 112 112 GLU H H 6.833 0.05 1 841 112 112 GLU HA H 4.881 0.05 1 842 112 112 GLU HB2 H 2.314 0.05 2 843 112 112 GLU CA C 53.622 0.4 1 844 112 112 GLU CB C 30.743 0.4 1 845 112 112 GLU N N 120.639 0.1 1 846 113 113 PRO HA H 4.540 0.05 1 847 113 113 PRO HB2 H 2.301 0.05 1 848 113 113 PRO HD2 H 3.656 0.05 2 849 113 113 PRO C C 179.299 0.4 1 850 113 113 PRO CA C 62.268 0.4 1 851 113 113 PRO CB C 32.416 0.4 1 852 113 113 PRO CD C 50.200 0.4 1 853 114 114 LEU H H 10.054 0.05 1 854 114 114 LEU HA H 3.743 0.05 1 855 114 114 LEU HB2 H 1.683 0.05 1 856 114 114 LEU HD1 H 0.479 0.05 2 857 114 114 LEU HD2 H -0.033 0.05 2 858 114 114 LEU C C 177.994 0.4 1 859 114 114 LEU CA C 59.425 0.4 1 860 114 114 LEU CB C 41.137 0.4 1 861 114 114 LEU CD1 C 23.200 0.4 2 862 114 114 LEU CD2 C 26.200 0.4 2 863 114 114 LEU N N 127.439 0.1 1 864 115 115 MET H H 8.091 0.05 1 865 115 115 MET HA H 4.522 0.05 1 866 115 115 MET HB2 H 2.170 0.05 1 867 115 115 MET C C 180.379 0.4 1 868 115 115 MET CA C 55.376 0.4 1 869 115 115 MET CB C 28.735 0.4 1 870 115 115 MET N N 111.936 0.1 1 871 116 116 GLU H H 6.948 0.05 1 872 116 116 GLU HA H 4.137 0.05 1 873 116 116 GLU HB2 H 2.197 0.05 1 874 116 116 GLU C C 179.342 0.4 1 875 116 116 GLU CA C 59.123 0.4 1 876 116 116 GLU CB C 29.702 0.4 1 877 116 116 GLU N N 117.874 0.1 1 878 117 117 GLN H H 7.635 0.05 1 879 117 117 GLN HA H 4.146 0.05 1 880 117 117 GLN HB2 H 2.255 0.05 1 881 117 117 GLN HB3 H 2.162 0.05 1 882 117 117 GLN HG2 H 2.487 0.05 2 883 117 117 GLN C C 178.658 0.4 1 884 117 117 GLN CA C 59.819 0.4 1 885 117 117 GLN CB C 29.741 0.4 1 886 117 117 GLN CG C 34.900 0.4 1 887 117 117 GLN N N 119.158 0.1 1 888 118 118 VAL H H 7.680 0.05 1 889 118 118 VAL HA H 2.322 0.05 1 890 118 118 VAL HB H 1.896 0.05 1 891 118 118 VAL HG1 H 0.559 0.05 2 892 118 118 VAL HG2 H 0.479 0.05 2 893 118 118 VAL C C 175.333 0.4 1 894 118 118 VAL CA C 63.289 0.4 1 895 118 118 VAL CB C 31.274 0.4 1 896 118 118 VAL CG1 C 21.500 0.4 2 897 118 118 VAL CG2 C 22.400 0.4 2 898 118 118 VAL N N 118.885 0.1 1 899 119 119 GLY H H 7.053 0.05 1 900 119 119 GLY HA2 H 4.334 0.05 1 901 119 119 GLY HA3 H 3.806 0.05 1 902 119 119 GLY C C 174.157 0.4 1 903 119 119 GLY CA C 45.223 0.4 1 904 119 119 GLY N N 102.287 0.1 1 905 120 120 THR H H 7.678 0.05 1 906 120 120 THR HA H 4.570 0.05 1 907 120 120 THR HB H 4.846 0.05 1 908 120 120 THR HG2 H 1.658 0.05 1 909 120 120 THR C C 174.912 0.4 1 910 120 120 THR CA C 61.127 0.4 1 911 120 120 THR CB C 72.300 0.4 1 912 120 120 THR CG2 C 22.100 0.4 1 913 120 120 THR N N 110.671 0.1 1 914 121 121 GLU H H 9.014 0.05 1 915 121 121 GLU HA H 4.075 0.05 1 916 121 121 GLU HB2 H 2.145 0.05 1 917 121 121 GLU HG2 H 2.440 0.05 2 918 121 121 GLU C C 179.126 0.4 1 919 121 121 GLU CA C 59.732 0.4 1 920 121 121 GLU CB C 29.537 0.4 1 921 121 121 GLU CG C 36.300 0.4 1 922 121 121 GLU N N 122.252 0.1 1 923 122 122 GLU H H 9.001 0.05 1 924 122 122 GLU HA H 4.057 0.05 1 925 122 122 GLU HB2 H 2.220 0.05 1 926 122 122 GLU HB3 H 2.051 0.05 1 927 122 122 GLU HG2 H 2.440 0.05 2 928 122 122 GLU C C 178.437 0.4 1 929 122 122 GLU CA C 60.055 0.4 1 930 122 122 GLU CB C 29.354 0.4 1 931 122 122 GLU CG C 36.300 0.4 1 932 122 122 GLU N N 117.875 0.1 1 933 123 123 PHE H H 7.767 0.05 1 934 123 123 PHE HA H 4.087 0.05 1 935 123 123 PHE HB2 H 3.470 0.05 1 936 123 123 PHE HB3 H 3.107 0.05 1 937 123 123 PHE C C 177.730 0.4 1 938 123 123 PHE CA C 62.323 0.4 1 939 123 123 PHE CB C 40.658 0.4 1 940 123 123 PHE N N 121.513 0.1 1 941 124 124 ILE H H 8.468 0.05 1 942 124 124 ILE HA H 3.412 0.05 1 943 124 124 ILE HB H 1.884 0.05 1 944 124 124 ILE HG12 H 1.467 0.05 2 945 124 124 ILE HG13 H 1.175 0.05 2 946 124 124 ILE HG2 H 0.868 0.05 1 947 124 124 ILE HD1 H 0.789 0.05 1 948 124 124 ILE C C 179.924 0.4 1 949 124 124 ILE CA C 65.796 0.4 1 950 124 124 ILE CB C 38.734 0.4 1 951 124 124 ILE CG1 C 27.300 0.4 1 952 124 124 ILE CG2 C 17.400 0.4 1 953 124 124 ILE CD1 C 13.900 0.4 1 954 124 124 ILE N N 120.603 0.1 1 955 125 125 LYS H H 8.817 0.05 1 956 125 125 LYS HA H 4.025 0.05 1 957 125 125 LYS HB2 H 1.911 0.05 1 958 125 125 LYS HG2 H 1.472 0.05 2 959 125 125 LYS HD2 H 1.728 0.05 2 960 125 125 LYS HE2 H 3.004 0.05 2 961 125 125 LYS C C 178.355 0.4 1 962 125 125 LYS CA C 59.430 0.4 1 963 125 125 LYS CB C 32.312 0.4 1 964 125 125 LYS CG C 24.800 0.4 1 965 125 125 LYS CD C 28.900 0.4 1 966 125 125 LYS CE C 41.800 0.4 1 967 125 125 LYS N N 122.432 0.1 1 968 126 126 ARG H H 7.640 0.05 1 969 126 126 ARG HA H 3.857 0.05 1 970 126 126 ARG HB2 H 1.406 0.05 1 971 126 126 ARG HB3 H 1.071 0.05 1 972 126 126 ARG HD2 H 3.108 0.05 2 973 126 126 ARG C C 178.555 0.4 1 974 126 126 ARG CA C 59.232 0.4 1 975 126 126 ARG CB C 31.248 0.4 1 976 126 126 ARG CD C 43.400 0.4 1 977 126 126 ARG N N 118.123 0.1 1 978 127 127 PHE H H 8.186 0.05 1 979 127 127 PHE HA H 4.724 0.05 1 980 127 127 PHE HB2 H 3.056 0.05 1 981 127 127 PHE HB3 H 1.941 0.05 1 982 127 127 PHE C C 176.571 0.4 1 983 127 127 PHE CA C 58.448 0.4 1 984 127 127 PHE CB C 40.645 0.4 1 985 127 127 PHE N N 112.818 0.1 1 986 128 128 GLY H H 8.181 0.05 1 987 128 128 GLY HA2 H 3.734 0.05 1 988 128 128 GLY C C 173.612 0.4 1 989 128 128 GLY CA C 46.610 0.4 1 990 128 128 GLY N N 107.675 0.1 1 991 129 129 ASP H H 8.807 0.05 1 992 129 129 ASP HA H 4.236 0.05 1 993 129 129 ASP HB2 H 2.993 0.05 1 994 129 129 ASP HB3 H 2.638 0.05 1 995 129 129 ASP C C 175.005 0.4 1 996 129 129 ASP CA C 55.670 0.4 1 997 129 129 ASP CB C 40.307 0.4 1 998 129 129 ASP N N 117.784 0.1 1 999 130 130 GLY H H 8.293 0.05 1 1000 130 130 GLY HA2 H 4.338 0.05 1 1001 130 130 GLY HA3 H 3.543 0.05 1 1002 130 130 GLY C C 174.626 0.4 1 1003 130 130 GLY CA C 44.661 0.4 1 1004 130 130 GLY N N 103.603 0.1 1 1005 131 131 ALA H H 7.894 0.05 1 1006 131 131 ALA HA H 4.171 0.05 1 1007 131 131 ALA HB H 1.454 0.05 1 1008 131 131 ALA C C 176.743 0.4 1 1009 131 131 ALA CA C 51.573 0.4 1 1010 131 131 ALA CB C 21.366 0.4 1 1011 131 131 ALA N N 121.802 0.1 1 1012 132 132 SER H H 8.069 0.05 1 1013 132 132 SER HA H 4.405 0.05 1 1014 132 132 SER HB2 H 4.029 0.05 1 1015 132 132 SER HB3 H 3.821 0.05 1 1016 132 132 SER C C 173.323 0.4 1 1017 132 132 SER CA C 60.946 0.4 1 1018 132 132 SER CB C 63.858 0.4 1 1019 132 132 SER N N 112.560 0.1 1 1020 133 133 ARG H H 7.327 0.05 1 1021 133 133 ARG HA H 4.559 0.05 1 1022 133 133 ARG HB2 H 2.319 0.05 1 1023 133 133 ARG HB3 H 1.796 0.05 1 1024 133 133 ARG C C 172.181 0.4 1 1025 133 133 ARG CA C 55.620 0.4 1 1026 133 133 ARG CB C 28.219 0.4 1 1027 133 133 ARG N N 112.112 0.1 1 1028 134 134 VAL H H 8.956 0.05 1 1029 134 134 VAL HA H 5.262 0.05 1 1030 134 134 VAL HB H 1.996 0.05 1 1031 134 134 VAL HG1 H 1.075 0.05 2 1032 134 134 VAL HG2 H 0.821 0.05 2 1033 134 134 VAL C C 174.417 0.4 1 1034 134 134 VAL CA C 60.457 0.4 1 1035 134 134 VAL CB C 34.223 0.4 1 1036 134 134 VAL CG1 C 21.500 0.4 2 1037 134 134 VAL CG2 C 21.500 0.4 2 1038 134 134 VAL N N 120.525 0.1 1 1039 135 135 VAL H H 9.303 0.05 1 1040 135 135 VAL HA H 4.176 0.05 1 1041 135 135 VAL HB H 1.866 0.05 1 1042 135 135 VAL C C 174.327 0.4 1 1043 135 135 VAL CA C 60.784 0.4 1 1044 135 135 VAL CB C 35.398 0.4 1 1045 135 135 VAL N N 129.672 0.1 1 1046 136 136 LEU H H 7.973 0.05 1 1047 136 136 LEU HA H 4.458 0.05 1 1048 136 136 LEU HB2 H 1.724 0.05 1 1049 136 136 LEU HG H 1.006 0.05 1 1050 136 136 LEU HD1 H 0.964 0.05 2 1051 136 136 LEU HD2 H 0.911 0.05 2 1052 136 136 LEU C C 177.465 0.4 1 1053 136 136 LEU CA C 55.486 0.4 1 1054 136 136 LEU CB C 42.342 0.4 1 1055 136 136 LEU CG C 25.900 0.4 1 1056 136 136 LEU CD1 C 25.600 0.4 2 1057 136 136 LEU CD2 C 23.700 0.4 2 1058 136 136 LEU N N 123.083 0.1 1 1059 137 137 SER H H 8.293 0.05 1 1060 137 137 SER HA H 4.589 0.05 1 1061 137 137 SER HB2 H 4.082 0.05 1 1062 137 137 SER HB3 H 3.950 0.05 1 1063 137 137 SER C C 174.499 0.4 1 1064 137 137 SER CA C 58.807 0.4 1 1065 137 137 SER CB C 63.972 0.4 1 1066 137 137 SER N N 115.884 0.1 1 1067 138 138 LEU H H 8.202 0.05 1 1068 138 138 LEU HA H 5.080 0.05 1 1069 138 138 LEU CA C 57.093 0.4 1 1070 138 138 LEU CB C 39.953 0.4 1 1071 138 138 LEU N N 117.987 0.1 1 1072 139 139 PRO HA H 4.545 0.05 1 1073 139 139 PRO HB2 H 2.274 0.05 2 1074 139 139 PRO HB3 H 1.837 0.05 2 1075 139 139 PRO C C 176.346 0.4 1 1076 139 139 PRO CA C 63.473 0.4 1 1077 139 139 PRO CB C 31.718 0.4 1 1078 140 140 PHE H H 8.180 0.05 1 1079 140 140 PHE HA H 4.595 0.05 1 1080 140 140 PHE CA C 57.975 0.4 1 1081 140 140 PHE CB C 40.108 0.4 1 1082 140 140 PHE N N 121.815 0.1 1 1083 141 141 ALA HA H 4.407 0.05 1 1084 141 141 ALA HB H 1.385 0.05 1 1085 141 141 ALA HB H 1.244 0.05 1 1086 141 141 ALA HB H 1.385 0.05 1 1087 141 141 ALA C C 177.079 0.4 1 1088 141 141 ALA CA C 51.152 0.4 1 1089 141 141 ALA CB C 20.188 0.4 1 1090 142 142 GLU H H 8.608 0.05 1 1091 142 142 GLU HA H 4.144 0.05 1 1092 142 142 GLU HB2 H 2.046 0.05 1 1093 142 142 GLU HG2 H 2.357 0.05 2 1094 142 142 GLU HG3 H 2.436 0.05 2 1095 142 142 GLU C C 177.745 0.4 1 1096 142 142 GLU CA C 58.056 0.4 1 1097 142 142 GLU CB C 29.355 0.4 1 1098 142 142 GLU CG C 36.000 0.4 1 1099 142 142 GLU N N 121.746 0.1 1 1100 143 143 GLY H H 8.907 0.05 1 1101 143 143 GLY HA2 H 4.242 0.05 1 1102 143 143 GLY HA3 H 3.856 0.05 1 1103 143 143 GLY C C 174.461 0.4 1 1104 143 143 GLY CA C 45.431 0.4 1 1105 143 143 GLY N N 112.905 0.1 1 1106 144 144 SER H H 7.964 0.05 1 1107 144 144 SER HA H 4.651 0.05 1 1108 144 144 SER HB2 H 3.972 0.05 1 1109 144 144 SER C C 174.872 0.4 1 1110 144 144 SER CA C 58.028 0.4 1 1111 144 144 SER CB C 64.429 0.4 1 1112 144 144 SER N N 115.137 0.1 1 1113 145 145 SER H H 8.800 0.05 1 1114 145 145 SER HA H 4.562 0.05 1 1115 145 145 SER HB2 H 3.988 0.05 1 1116 145 145 SER HB3 H 3.884 0.05 1 1117 145 145 SER C C 174.940 0.4 1 1118 145 145 SER CA C 58.431 0.4 1 1119 145 145 SER CB C 64.123 0.4 1 1120 145 145 SER N N 118.508 0.1 1 1121 146 146 SER H H 8.524 0.05 1 1122 146 146 SER HA H 4.475 0.05 1 1123 146 146 SER HB2 H 3.916 0.05 1 1124 146 146 SER C C 174.502 0.4 1 1125 146 146 SER CA C 58.338 0.4 1 1126 146 146 SER CB C 63.932 0.4 1 1127 146 146 SER N N 117.789 0.1 1 1128 147 147 VAL H H 8.273 0.05 1 1129 147 147 VAL HA H 4.479 0.05 1 1130 147 147 VAL HB H 2.092 0.05 1 1131 147 147 VAL C C 175.632 0.4 1 1132 147 147 VAL CA C 60.671 0.4 1 1133 147 147 VAL CB C 30.442 0.4 1 1134 147 147 VAL N N 120.585 0.1 1 1135 148 148 GLU H H 8.395 0.05 1 1136 148 148 GLU HA H 4.496 0.05 1 1137 148 148 GLU C C 173.785 0.4 1 1138 148 148 GLU CA C 54.728 0.4 1 1139 148 148 GLU CB C 32.451 0.4 1 1140 148 148 GLU N N 124.243 0.1 1 1141 149 149 TYR H H 9.102 0.05 1 1142 149 149 TYR HA H 5.604 0.05 1 1143 149 149 TYR HB2 H 3.198 0.05 1 1144 149 149 TYR HB3 H 2.756 0.05 1 1145 149 149 TYR C C 175.165 0.4 1 1146 149 149 TYR CA C 55.575 0.4 1 1147 149 149 TYR CB C 39.025 0.4 1 1148 149 149 TYR N N 122.412 0.1 1 1149 150 150 ILE H H 9.305 0.05 1 1150 150 150 ILE HA H 4.197 0.05 1 1151 150 150 ILE HB H 2.162 0.05 1 1152 150 150 ILE C C 174.227 0.4 1 1153 150 150 ILE CA C 57.578 0.4 1 1154 150 150 ILE CB C 39.200 0.4 1 1155 150 150 ILE N N 119.630 0.1 1 1156 151 151 ASN H H 8.334 0.05 1 1157 151 151 ASN HA H 5.074 0.05 1 1158 151 151 ASN HB2 H 2.338 0.05 2 1159 151 151 ASN C C 174.968 0.4 1 1160 151 151 ASN CA C 51.217 0.4 1 1161 151 151 ASN CB C 41.183 0.4 1 1162 151 151 ASN N N 122.599 0.1 1 1163 152 152 ASN H H 9.096 0.05 1 1164 152 152 ASN HA H 4.805 0.05 1 1165 152 152 ASN HB2 H 2.439 0.05 1 1166 152 152 ASN C C 176.148 0.4 1 1167 152 152 ASN CA C 52.985 0.4 1 1168 152 152 ASN CB C 40.221 0.4 1 1169 152 152 ASN N N 125.153 0.1 1 1170 153 153 TRP H H 9.380 0.05 1 1171 153 153 TRP HA H 4.241 0.05 1 1172 153 153 TRP HB2 H 3.223 0.05 1 1173 153 153 TRP C C 178.060 0.4 1 1174 153 153 TRP CA C 61.631 0.4 1 1175 153 153 TRP CB C 30.744 0.4 1 1176 153 153 TRP N N 126.839 0.1 1 1177 154 154 GLU H H 7.831 0.05 1 1178 154 154 GLU HA H 4.227 0.05 1 1179 154 154 GLU HB2 H 2.427 0.05 1 1180 154 154 GLU HB3 H 2.269 0.05 1 1181 154 154 GLU HG2 H 2.572 0.05 2 1182 154 154 GLU C C 180.812 0.4 1 1183 154 154 GLU CA C 59.702 0.4 1 1184 154 154 GLU CB C 28.621 0.4 1 1185 154 154 GLU CG C 36.000 0.4 1 1186 154 154 GLU N N 118.391 0.1 1 1187 155 155 GLN H H 8.873 0.05 1 1188 155 155 GLN HA H 4.297 0.05 1 1189 155 155 GLN HB2 H 2.241 0.05 2 1190 155 155 GLN HG2 H 2.456 0.05 2 1191 155 155 GLN C C 179.345 0.4 1 1192 155 155 GLN CA C 57.545 0.4 1 1193 155 155 GLN CB C 26.996 0.4 1 1194 155 155 GLN CG C 32.700 0.4 1 1195 155 155 GLN N N 118.461 0.1 1 1196 156 156 ALA H H 8.588 0.05 1 1197 156 156 ALA HA H 4.107 0.05 1 1198 156 156 ALA HB H 1.170 0.05 1 1199 156 156 ALA C C 177.323 0.4 1 1200 156 156 ALA CA C 53.684 0.4 1 1201 156 156 ALA CB C 17.683 0.4 1 1202 156 156 ALA N N 121.721 0.1 1 1203 157 157 LYS H H 7.335 0.05 1 1204 157 157 LYS HA H 4.175 0.05 1 1205 157 157 LYS HB2 H 2.001 0.05 1 1206 157 157 LYS C C 177.418 0.4 1 1207 157 157 LYS CA C 59.315 0.4 1 1208 157 157 LYS CB C 32.421 0.4 1 1209 157 157 LYS N N 116.960 0.1 1 1210 158 158 ALA H H 7.486 0.05 1 1211 158 158 ALA HA H 4.367 0.05 1 1212 158 158 ALA HB H 1.680 0.05 1 1213 158 158 ALA C C 177.323 0.4 1 1214 158 158 ALA CA C 53.044 0.4 1 1215 158 158 ALA CB C 20.077 0.4 1 1216 158 158 ALA N N 118.346 0.1 1 1217 159 159 LEU H H 7.335 0.05 1 1218 159 159 LEU HA H 3.866 0.05 1 1219 159 159 LEU HB2 H 1.639 0.05 1 1220 159 159 LEU C C 178.058 0.4 1 1221 159 159 LEU CA C 55.742 0.4 1 1222 159 159 LEU CB C 41.802 0.4 1 1223 159 159 LEU N N 116.960 0.1 1 1224 160 160 SER H H 8.902 0.05 1 1225 160 160 SER HA H 4.660 0.05 1 1226 160 160 SER HB2 H 3.891 0.05 1 1227 160 160 SER C C 174.350 0.4 1 1228 160 160 SER CA C 57.575 0.4 1 1229 160 160 SER CB C 61.753 0.4 1 1230 160 160 SER N N 117.832 0.1 1 1231 161 161 VAL H H 8.701 0.05 1 1232 161 161 VAL HA H 4.677 0.05 1 1233 161 161 VAL HB H 1.980 0.05 1 1234 161 161 VAL HG1 H 1.075 0.05 2 1235 161 161 VAL HG2 H 0.821 0.05 2 1236 161 161 VAL C C 175.049 0.4 1 1237 161 161 VAL CA C 62.235 0.4 1 1238 161 161 VAL CB C 33.989 0.4 1 1239 161 161 VAL CG1 C 21.500 0.4 2 1240 161 161 VAL CG2 C 21.500 0.4 2 1241 161 161 VAL N N 124.870 0.1 1 1242 162 162 GLU H H 9.065 0.05 1 1243 162 162 GLU HA H 4.798 0.05 1 1244 162 162 GLU HB2 H 2.053 0.05 1 1245 162 162 GLU HB3 H 1.906 0.05 1 1246 162 162 GLU C C 175.173 0.4 1 1247 162 162 GLU CA C 54.350 0.4 1 1248 162 162 GLU CB C 34.138 0.4 1 1249 162 162 GLU N N 126.397 0.1 1 1250 163 163 LEU H H 9.120 0.05 1 1251 163 163 LEU HA H 4.205 0.05 1 1252 163 163 LEU HB2 H 1.881 0.05 1 1253 163 163 LEU HB3 H 1.363 0.05 1 1254 163 163 LEU C C 175.805 0.4 1 1255 163 163 LEU CA C 56.349 0.4 1 1256 163 163 LEU CB C 42.841 0.4 1 1257 163 163 LEU N N 126.235 0.1 1 1258 164 164 GLU H H 8.762 0.05 1 1259 164 164 GLU CA C 57.657 0.4 1 1260 164 164 GLU CB C 29.967 0.4 1 1261 164 164 GLU N N 128.041 0.1 1 1262 165 165 ILE C C 175.379 0.4 1 1263 165 165 ILE CA C 54.422 0.4 1 1264 165 165 ILE CB C 41.627 0.4 1 1265 166 166 ASN H H 8.682 0.05 1 1266 166 166 ASN HA H 4.612 0.05 1 1267 166 166 ASN HB2 H 2.679 0.05 2 1268 166 166 ASN C C 176.391 0.4 1 1269 166 166 ASN CA C 54.230 0.4 1 1270 166 166 ASN CB C 39.250 0.4 1 1271 166 166 ASN N N 123.469 0.1 1 1272 167 167 PHE H H 8.351 0.05 1 1273 167 167 PHE HA H 4.615 0.05 1 1274 167 167 PHE HB2 H 2.849 0.05 2 1275 167 167 PHE C C 175.236 0.4 1 1276 167 167 PHE CA C 55.088 0.4 1 1277 167 167 PHE CB C 39.250 0.4 1 1278 167 167 PHE N N 120.086 0.1 1 1279 168 168 GLU H H 8.378 0.05 1 1280 168 168 GLU HA H 4.080 0.05 1 1281 168 168 GLU HB2 H 2.226 0.05 1 1282 168 168 GLU HG2 H 2.487 0.05 2 1283 168 168 GLU HG3 H 2.440 0.05 2 1284 168 168 GLU C C 178.423 0.4 1 1285 168 168 GLU CA C 56.883 0.4 1 1286 168 168 GLU CB C 29.675 0.4 1 1287 168 168 GLU CG C 36.300 0.4 1 1288 168 168 GLU N N 120.301 0.1 1 1289 169 169 THR H H 8.247 0.05 1 1290 169 169 THR HA H 4.660 0.05 1 1291 169 169 THR HB H 3.867 0.05 1 1292 169 169 THR C C 174.312 0.4 1 1293 169 169 THR CA C 62.578 0.4 1 1294 169 169 THR CB C 64.295 0.4 1 1295 169 169 THR N N 121.578 0.1 1 1296 170 170 ARG H H 8.330 0.05 1 1297 170 170 ARG HA H 4.505 0.05 1 1298 170 170 ARG HB2 H 2.020 0.05 2 1299 170 170 ARG HG2 H 1.852 0.05 2 1300 170 170 ARG HD2 H 3.280 0.05 2 1301 170 170 ARG C C 178.328 0.4 1 1302 170 170 ARG CA C 54.612 0.4 1 1303 170 170 ARG CB C 29.467 0.4 1 1304 170 170 ARG CG C 27.600 0.4 1 1305 170 170 ARG CD C 42.900 0.4 1 1306 170 170 ARG N N 121.605 0.1 1 1307 171 171 GLY H H 8.112 0.05 1 1308 171 171 GLY CA C 47.177 0.4 1 1309 171 171 GLY N N 110.034 0.1 1 1310 172 172 LYS HA H 4.412 0.05 1 1311 172 172 LYS HB2 H 1.880 0.05 2 1312 172 172 LYS HB3 H 1.801 0.05 2 1313 172 172 LYS HG2 H 1.499 0.05 2 1314 172 172 LYS HD2 H 1.801 0.05 2 1315 172 172 LYS HE2 H 3.199 0.05 2 1316 172 172 LYS C C 175.061 0.4 1 1317 172 172 LYS CA C 55.983 0.4 1 1318 172 172 LYS CB C 30.781 0.4 1 1319 172 172 LYS CG C 25.100 0.4 1 1320 172 172 LYS CD C 29.200 0.4 1 1321 172 172 LYS CE C 42.900 0.4 1 1322 173 173 ARG H H 8.031 0.05 1 1323 173 173 ARG HA H 4.904 0.05 1 1324 173 173 ARG HB2 H 1.399 0.05 1 1325 173 173 ARG C C 176.995 0.4 1 1326 173 173 ARG CA C 55.247 0.4 1 1327 173 173 ARG CB C 29.294 0.4 1 1328 173 173 ARG N N 128.270 0.1 1 1329 174 174 GLY H H 8.358 0.05 1 1330 174 174 GLY C C 174.956 0.4 1 1331 174 174 GLY CA C 48.629 0.4 1 1332 174 174 GLY N N 112.340 0.1 1 1333 175 175 GLN H H 8.731 0.05 1 1334 175 175 GLN CA C 59.301 0.4 1 1335 175 175 GLN CB C 27.234 0.4 1 1336 175 175 GLN N N 121.423 0.1 1 1337 176 176 ASP HA H 4.417 0.05 1 1338 176 176 ASP HB2 H 2.621 0.05 1 1339 176 176 ASP C C 180.115 0.4 1 1340 176 176 ASP CA C 55.010 0.4 1 1341 176 176 ASP CB C 40.991 0.4 1 1342 177 177 ALA H H 7.964 0.05 1 1343 177 177 ALA HA H 4.466 0.05 1 1344 177 177 ALA HB H 1.580 0.05 1 1345 177 177 ALA C C 175.767 0.4 1 1346 177 177 ALA CA C 56.024 0.4 1 1347 177 177 ALA CB C 18.420 0.4 1 1348 177 177 ALA N N 120.779 0.1 1 1349 178 178 MET H H 8.042 0.05 1 1350 178 178 MET HA H 4.318 0.05 1 1351 178 178 MET C C 175.767 0.4 1 1352 178 178 MET CA C 56.751 0.4 1 1353 178 178 MET CB C 31.057 0.4 1 1354 178 178 MET N N 118.662 0.1 1 1355 179 179 TYR H H 8.042 0.05 1 1356 179 179 TYR HA H 4.799 0.05 1 1357 179 179 TYR HB2 H 2.910 0.05 2 1358 179 179 TYR HB3 H 2.837 0.05 2 1359 179 179 TYR C C 174.262 0.4 1 1360 179 179 TYR CA C 56.527 0.4 1 1361 179 179 TYR CB C 39.094 0.4 1 1362 179 179 TYR N N 118.662 0.1 1 1363 180 180 GLU H H 7.944 0.05 1 1364 180 180 GLU CA C 57.663 0.4 1 1365 180 180 GLU CB C 31.640 0.4 1 1366 180 180 GLU N N 126.066 0.1 1 1367 181 181 TYR HA H 4.978 0.05 1 1368 181 181 TYR HB2 H 3.657 0.05 1 1369 181 181 TYR C C 175.561 0.4 1 1370 181 181 TYR CA C 61.145 0.4 1 1371 181 181 TYR CB C 35.126 0.4 1 1372 182 182 MET H H 9.083 0.05 1 1373 182 182 MET HA H 3.936 0.05 1 1374 182 182 MET C C 177.988 0.4 1 1375 182 182 MET CA C 59.336 0.4 1 1376 182 182 MET CB C 34.092 0.4 1 1377 182 182 MET N N 118.498 0.1 1 1378 183 183 ALA H H 7.889 0.05 1 1379 183 183 ALA HA H 4.183 0.05 1 1380 183 183 ALA HB H 1.495 0.05 1 1381 183 183 ALA C C 178.763 0.4 1 1382 183 183 ALA CA C 53.841 0.4 1 1383 183 183 ALA CB C 18.136 0.4 1 1384 183 183 ALA N N 120.356 0.1 1 1385 184 184 GLN H H 7.543 0.05 1 1386 184 184 GLN HA H 4.470 0.05 1 1387 184 184 GLN HB2 H 2.982 0.05 1 1388 184 184 GLN C C 174.532 0.4 1 1389 184 184 GLN CA C 58.255 0.4 1 1390 184 184 GLN CB C 27.833 0.4 1 1391 184 184 GLN N N 116.319 0.1 1 1392 185 185 ALA H H 8.064 0.05 1 1393 185 185 ALA HA H 3.859 0.05 1 1394 185 185 ALA HB H 1.086 0.05 1 1395 185 185 ALA C C 177.706 0.4 1 1396 185 185 ALA CA C 52.894 0.4 1 1397 185 185 ALA CB C 19.088 0.4 1 1398 185 185 ALA N N 125.459 0.1 1 1399 186 186 CYS H H 7.862 0.05 1 1400 186 186 CYS HA H 4.415 0.05 1 1401 186 186 CYS HB2 H 2.984 0.05 1 1402 186 186 CYS C C 174.504 0.4 1 1403 186 186 CYS CA C 58.630 0.4 1 1404 186 186 CYS CB C 27.682 0.4 1 1405 186 186 CYS N N 115.920 0.1 1 1406 187 187 ALA H H 8.172 0.05 1 1407 187 187 ALA HA H 4.316 0.05 1 1408 187 187 ALA HB H 1.398 0.05 1 1409 187 187 ALA C C 178.167 0.4 1 1410 187 187 ALA CA C 52.917 0.4 1 1411 187 187 ALA CB C 19.077 0.4 1 1412 187 187 ALA N N 125.011 0.1 1 1413 188 188 GLY H H 8.369 0.05 1 1414 188 188 GLY HA2 H 4.245 0.05 1 1415 188 188 GLY HA3 H 3.965 0.05 1 1416 188 188 GLY C C 173.669 0.4 1 1417 188 188 GLY CA C 45.584 0.4 1 1418 188 188 GLY N N 107.551 0.1 1 1419 189 189 ASN H H 8.298 0.05 1 1420 189 189 ASN HA H 4.741 0.05 1 1421 189 189 ASN HB2 H 2.859 0.05 1 1422 189 189 ASN HD21 H 7.280 0.05 2 1423 189 189 ASN C C 175.226 0.4 1 1424 189 189 ASN CA C 53.337 0.4 1 1425 189 189 ASN CB C 38.808 0.4 1 1426 189 189 ASN N N 118.238 0.1 1 1427 189 189 ASN ND2 N 111.939 0.1 1 1428 190 190 ARG H H 8.216 0.05 1 1429 190 190 ARG HA H 4.389 0.05 1 1430 190 190 ARG HB2 H 1.862 0.05 1 1431 190 190 ARG C C 176.157 0.4 1 1432 190 190 ARG CA C 56.286 0.4 1 1433 190 190 ARG CB C 30.731 0.4 1 1434 190 190 ARG N N 120.957 0.1 1 1435 191 191 VAL H H 8.074 0.05 1 1436 191 191 VAL HA H 4.120 0.05 1 1437 191 191 VAL HB H 2.077 0.05 1 1438 191 191 VAL HG1 H 0.963 0.05 2 1439 191 191 VAL C C 175.957 0.4 1 1440 191 191 VAL CA C 62.332 0.4 1 1441 191 191 VAL CB C 32.649 0.4 1 1442 191 191 VAL CG1 C 21.000 0.4 2 1443 191 191 VAL N N 120.832 0.1 1 1444 192 192 ARG H H 8.396 0.05 1 1445 192 192 ARG HA H 4.392 0.05 1 1446 192 192 ARG HB2 H 1.814 0.05 1 1447 192 192 ARG C C 175.964 0.4 1 1448 192 192 ARG CA C 55.944 0.4 1 1449 192 192 ARG CB C 30.889 0.4 1 1450 192 192 ARG N N 125.163 0.1 1 1451 193 193 ARG H H 8.435 0.05 1 1452 193 193 ARG HA H 4.416 0.05 1 1453 193 193 ARG HB2 H 1.840 0.05 1 1454 193 193 ARG HG2 H 1.499 0.05 2 1455 193 193 ARG HD2 H 3.199 0.05 2 1456 193 193 ARG C C 176.002 0.4 1 1457 193 193 ARG CA C 55.928 0.4 1 1458 193 193 ARG CB C 31.155 0.4 1 1459 193 193 ARG CG C 26.500 0.4 1 1460 193 193 ARG CD C 43.100 0.4 1 1461 193 193 ARG N N 122.834 0.1 1 1462 194 194 SER H H 8.398 0.05 1 1463 194 194 SER HA H 4.587 0.05 1 1464 194 194 SER HB2 H 3.878 0.05 1 1465 194 194 SER C C 175.617 0.4 1 1466 194 194 SER CA C 58.166 0.4 1 1467 194 194 SER CB C 64.097 0.4 1 1468 194 194 SER N N 117.274 0.1 1 1469 195 195 VAL H H 8.276 0.05 1 1470 195 195 VAL HA H 4.273 0.05 1 1471 195 195 VAL HB H 2.172 0.05 1 1472 195 195 VAL HG1 H 1.342 0.05 2 1473 195 195 VAL HG2 H 1.050 0.05 2 1474 195 195 VAL C C 176.704 0.4 1 1475 195 195 VAL CA C 62.695 0.4 1 1476 195 195 VAL CB C 32.746 0.4 1 1477 195 195 VAL CG1 C 21.500 0.4 2 1478 195 195 VAL CG2 C 21.300 0.4 2 1479 195 195 VAL N N 121.232 0.1 1 1480 196 196 GLY H H 8.601 0.05 1 1481 196 196 GLY HA2 H 4.032 0.05 1 1482 196 196 GLY C C 174.271 0.4 1 1483 196 196 GLY CA C 50.399 0.4 1 1484 196 196 GLY N N 112.734 0.1 1 1485 197 197 SER H H 8.224 0.05 1 1486 197 197 SER HA H 4.534 0.05 1 1487 197 197 SER HB2 H 3.954 0.05 2 1488 197 197 SER HB3 H 3.954 0.05 2 1489 197 197 SER C C 174.603 0.4 1 1490 197 197 SER CA C 58.289 0.4 1 1491 197 197 SER CB C 63.982 0.4 1 1492 197 197 SER N N 115.664 0.1 1 1493 198 198 SER H H 8.315 0.05 1 1494 198 198 SER HA H 4.495 0.05 1 1495 198 198 SER HB2 H 3.949 0.05 1 1496 198 198 SER HB3 H 2.770 0.05 1 1497 198 198 SER C C 174.705 0.4 1 1498 198 198 SER CA C 58.876 0.4 1 1499 198 198 SER CB C 63.649 0.4 1 1500 198 198 SER N N 116.797 0.1 1 1501 199 199 LEU H H 8.255 0.05 1 1502 199 199 LEU HA H 4.482 0.05 1 1503 199 199 LEU HB2 H 1.716 0.05 1 1504 199 199 LEU HG H 1.006 0.05 1 1505 199 199 LEU HD1 H 0.964 0.05 2 1506 199 199 LEU HD2 H 0.911 0.05 2 1507 199 199 LEU C C 176.605 0.4 1 1508 199 199 LEU CA C 55.352 0.4 1 1509 199 199 LEU CB C 42.394 0.4 1 1510 199 199 LEU CG C 25.400 0.4 1 1511 199 199 LEU CD1 C 23.200 0.4 2 1512 199 199 LEU CD2 C 24.000 0.4 2 1513 199 199 LEU N N 123.280 0.1 1 1514 200 200 SER H H 7.931 0.05 1 1515 200 200 SER HA H 4.327 0.05 1 1516 200 200 SER CA C 60.064 0.4 1 1517 200 200 SER CB C 65.191 0.4 1 1518 200 200 SER N N 121.597 0.1 1 1519 201 201 CYS HA H 4.575 0.05 1 1520 201 201 CYS HB2 H 2.981 0.05 1 1521 201 201 CYS C C 174.266 0.4 1 1522 201 201 CYS CA C 56.636 0.4 1 1523 201 201 CYS CB C 27.989 0.4 1 1524 202 202 ILE H H 8.083 0.05 1 1525 202 202 ILE HA H 4.234 0.05 1 1526 202 202 ILE HB H 1.870 0.05 1 1527 202 202 ILE HG12 H 1.175 0.05 2 1528 202 202 ILE HG2 H 0.868 0.05 1 1529 202 202 ILE HD1 H 0.789 0.05 1 1530 202 202 ILE C C 175.342 0.4 1 1531 202 202 ILE CA C 61.112 0.4 1 1532 202 202 ILE CB C 38.870 0.4 1 1533 202 202 ILE CG1 C 27.800 0.4 1 1534 202 202 ILE CG2 C 17.400 0.4 1 1535 202 202 ILE N N 121.991 0.1 1 1536 203 203 ASN H H 8.459 0.05 1 1537 203 203 ASN HA H 4.817 0.05 1 1538 203 203 ASN HB2 H 2.896 0.05 1 1539 203 203 ASN HB3 H 2.769 0.05 1 1540 203 203 ASN HD21 H 7.531 0.05 2 1541 203 203 ASN C C 174.637 0.4 1 1542 203 203 ASN CA C 53.250 0.4 1 1543 203 203 ASN CB C 39.286 0.4 1 1544 203 203 ASN N N 122.452 0.1 1 1545 203 203 ASN ND2 N 112.353 0.1 1 1546 204 204 LEU H H 8.342 0.05 1 1547 204 204 LEU HA H 4.465 0.05 1 1548 204 204 LEU HB2 H 1.695 0.05 1 1549 204 204 LEU HG H 1.006 0.05 1 1550 204 204 LEU HD1 H 0.964 0.05 2 1551 204 204 LEU HD2 H 0.911 0.05 2 1552 204 204 LEU C C 176.053 0.4 1 1553 204 204 LEU CA C 54.971 0.4 1 1554 204 204 LEU CB C 42.555 0.4 1 1555 204 204 LEU CG C 25.900 0.4 1 1556 204 204 LEU CD1 C 24.000 0.4 2 1557 204 204 LEU CD2 C 24.000 0.4 2 1558 204 204 LEU N N 123.882 0.1 1 1559 205 205 ASP H H 7.955 0.05 1 1560 205 205 ASP HA H 4.443 0.05 1 1561 205 205 ASP HB2 H 2.699 0.05 2 1562 205 205 ASP CA C 56.003 0.4 1 1563 205 205 ASP CB C 42.457 0.4 1 1564 205 205 ASP N N 126.279 0.1 1 stop_ save_